smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C=CCNC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC(=O)N3CCC[C@H]3CO)[C@H](O)CC[C@@H]2[C@]1(C)CO 4236588 IZXBXUGCVVZDDQ-FGXQUKBJSA-N 452.592 1.826 30 10 JDEE biogenic NC(=O)CSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(O)cc3)n2)s1 20833686 HVHNYBQVBCGQJL-YAXRCOADSA-N 465.546 1.116 30 10 JDEE CCc1nnc(CN(C(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)C(C)C)o1 20915572 PXPDMBDRXIHKEV-ZVBGSRNCSA-N 459.536 1.618 30 10 JDEE C#C[C@]1(O[C@@H]2O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]21C 253591665 SQQXJBRONRGLRT-KGLZKWRKSA-N 472.534 1.529 30 10 JDEE Cc1cc(C(N)=NO)cc(-n2cnc(I)c2I)n1 310729347 VOYNDJHOHIPQCI-UHFFFAOYSA-N 469.024 1.879 30 10 JDEE CON[N+](=O)CC(=O)N1CCCN(S(=O)(=O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 585088931 MJDKFJSKOWGUGC-LJQANCHMSA-N 464.480 1.362 30 10 JDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCc1ccc(C#N)cc1F 609256965 NWSVVXQCFXJGLC-UHFFFAOYSA-N 460.487 1.282 30 10 JDEE C#CCN(C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1)[C@H]1CCS(=O)(=O)C1 729330696 HSUFCBISLPCUPX-LMMKCTJWSA-N 452.598 1.616 30 10 JDEE C=CCN1CC[C@@H](N(C)C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1=O 1155858512 MDVIDXJEOPWEJM-QGZVFWFLSA-N 451.545 1.152 30 10 JDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)NCC)CC1 1286320457 APKBOTQGPOEULV-UHFFFAOYSA-N 472.619 1.893 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286397970 FICFIMOVAUEKHB-OTWHNJEPSA-N 466.604 1.588 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(-c2ccccc2)no1 1286446071 CYCASJNZVBUUPR-HXUWFJFHSA-N 470.555 1.774 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(C(=O)NC)c2)CC1 1286646532 SPEUZRPTMRNDRG-FQEVSTJZSA-N 488.614 1.370 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCCC[C@H]2C1 1286672695 PWDVRHXKWTYINL-RBUKOAKNSA-N 466.652 1.888 30 10 JDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1286706335 MXYRGADFMLUCEC-UZLBHIALSA-N 457.597 1.255 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1286779795 MRKXFLLHGVARNB-DLBZAZTESA-N 484.557 1.521 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(Cc4ccncc4)n3CCNC(=O)C(C)(C)C)CC2)c1C#N 1290576518 FZVQZBGWDSXEDX-UHFFFAOYSA-N 490.616 1.666 30 10 JDEE CCOc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1OC(F)F 1296828233 AJXWDAXVFQMRJG-HZPDHXFCSA-N 497.524 1.957 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(COC)CCOCC2)CCO1 1299154525 GQCUPUBASQWICS-FQEVSTJZSA-N 484.557 1.123 30 10 JDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1300402810 DOJOUDVCCJALMV-UHFFFAOYSA-N 462.576 1.670 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1300505095 XQCJSCLSYXKSHP-MRXNPFEDSA-N 481.525 1.174 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCN(C)C(C)(C)C1 1300527918 MJHUTSIVDZRPJJ-UHFFFAOYSA-N 472.597 1.291 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1300655434 XWLNBSADZWMXHZ-LJQANCHMSA-N 473.382 1.888 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCOCCS(C)(=O)=O)CC1 1300686106 XCNHANYDBIBAHS-UHFFFAOYSA-N 483.598 1.152 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(S(C)(=O)=O)CC2)CC1 1300725497 APKATJAGLIUBMV-UHFFFAOYSA-N 491.564 1.690 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](CNS(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1300898573 YNMHHGPBUPMACT-UGTOYMOASA-N 497.662 1.677 30 10 JDEE C=C(C)COCCn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1301002379 YQPOOTHUWVBXBT-XMMPIXPASA-N 470.574 1.880 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCC2)CC1 1301043664 BBXZNPQLJSZZDE-QGZVFWFLSA-N 459.016 1.428 30 10 JDEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1301225948 NNADECOUTUZERK-UHFFFAOYSA-N 488.539 1.621 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1301482801 CCMPZXQVEXPBJA-INIZCTEOSA-N 489.378 1.748 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1301483781 WNVNSFIQEJQSKL-UHFFFAOYSA-N 494.556 1.313 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(=O)NCC)cc2)C1 1301557882 RUAUEHMFXUXLSS-WOJBJXKFSA-N 473.599 1.760 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC(C)(C)C1 1301588753 IVPKHDATUOIJPU-IRXDYDNUSA-N 489.664 1.084 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)CC1 1303458698 DGAJOCOLSSBRKO-UHFFFAOYSA-N 480.573 1.306 30 10 JDEE COCC[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1315963108 CZSNESGJJLSAIW-RUZDIDTESA-N 483.617 1.788 30 10 JDEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2cccc(C(F)(F)F)n2)CCO1 1316537581 DLLYXCGOXKTVPV-QWHCGFSZSA-N 451.409 1.451 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1358959360 HIYNLKPTIICWHI-KRWDZBQOSA-N 462.547 1.643 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1358962794 XFZSNNRVIPVSOS-GOSISDBHSA-N 496.593 1.999 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(C)(C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358964701 FHYYPUBYIQVPPN-HXUWFJFHSA-N 489.617 1.746 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CC=CCC2)CC1 1359040054 GIMHZFGKQGDUHA-UHFFFAOYSA-N 455.607 1.424 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCC[C@H]2OC)CC1 1359042172 VGADUDVHMYFZMS-ROKPMTFOSA-N 459.591 1.711 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCCN2CCOC2=O)CC1 1359047429 GSMAHSSMDHFFIQ-UHFFFAOYSA-N 480.569 1.974 30 10 JDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359479158 FUORNMNQYCKELP-JFIYKMOQSA-N 494.643 1.356 30 10 JDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1435001844 DBWZIPHTSBNHGD-UHFFFAOYSA-N 450.543 1.565 30 10 JDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 1467312494 ANIDUAUVCJDZFM-KDOFPFPSSA-N 450.561 1.987 30 10 JDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1502444035 GOAYLEONISLJSR-UHFFFAOYSA-N 471.587 1.636 30 10 JDEE COc1ccc(O[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1504294826 DUCACGQOHXLWBN-RKVPGOIHSA-N 464.548 1.093 30 10 JDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2ccco2)N(C)C)CC1 1504536444 CDWKRWMUNKTDLV-OAQYLSRUSA-N 493.568 1.920 30 10 JDEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1504848544 GCGJONPDQZNBKP-UHFFFAOYSA-N 463.590 1.845 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OCC)c1ccccc1 1507538885 PWRUTGKNWADCNO-YSIASYRMSA-N 461.588 1.847 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(O)cc2)CC1 1507564261 NYCATVIUWBAHGP-OAQYLSRUSA-N 488.614 1.447 30 10 JDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1507580437 DVCLLWLRVKOBSN-INIZCTEOSA-N 464.530 1.908 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1507637819 BSBLEENGJUCGTQ-RQZFFVEVSA-N 478.640 1.869 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1507639842 MNLFQNKFXWPMTP-HXUWFJFHSA-N 468.583 1.731 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CC(=O)N(CCOC)C1 1507642840 BMHZVKJVIZRHCY-LJQANCHMSA-N 457.538 1.903 30 10 JDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1NC(=O)CC1(C)C 1507680814 IZULDPFLGUKLAZ-MRXNPFEDSA-N 457.604 1.921 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCCCO2 1507691062 ZXEGVGLXZIKSTD-FQEVSTJZSA-N 475.571 1.280 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1507711024 YIZYLUASAPKKDI-VWLOTQADSA-N 477.569 1.629 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(OC)c(O)c2)CC1 1507740622 CLQISYHVSZJPMJ-UGKGYDQZSA-N 483.569 1.730 30 10 JDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1507836171 ZHOUPBWPPRJRSA-LJQANCHMSA-N 461.611 1.142 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1507838942 LUEBOHBZCWXDTF-QFIPXVFZSA-N 476.603 1.490 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1507844433 JUINECUXIBTZSZ-GHTZIAJQSA-N 491.614 1.991 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(CC)nn(C)c2OC)CC1 1507901996 HIZKJOSMMAVRFX-IBGZPJMESA-N 493.634 1.366 30 10 JDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507966240 WBPAWSBUIHPMLJ-UHFFFAOYSA-N 475.619 1.801 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@H](S(C)(=O)=O)C1 1508079331 QUDKESQVUMMZJK-ZDUSSCGKSA-N 468.377 1.633 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1508090121 CWUHYAVIXFOIHN-OAHLLOKOSA-N 490.362 1.136 30 10 JDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1508107111 AQTORUVRKXHRDK-RTBURBONSA-N 469.542 1.374 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCn1cc(Br)cn1 1510188987 FDYFOONXCQGOCW-WBMJQRKESA-N 489.375 1.380 30 10 JDEE CCN(CC)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1515499559 HBTPGIFVOALTRU-OAQYLSRUSA-N 483.573 1.728 30 10 JDEE COc1cccc(C(=O)NCCn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1518350817 BDPSTARWZUTHPZ-JOCHJYFZSA-N 455.494 1.281 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)n1 1531363502 DKYHCXNQFHUBHP-UHFFFAOYSA-N 450.948 1.853 30 10 JDEE CCOC(=O)c1c(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)c(C#N)cn1CCOC 1533737834 CWRISKJDYIXPHO-UHFFFAOYSA-N 454.483 1.908 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn(CCCC)nc1C 1539016402 UHIQFXWUZKOWFB-QFBILLFUSA-N 463.608 1.422 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1539201630 BBRBXJRSTFYORH-HXUWFJFHSA-N 499.641 1.674 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1539224029 BVIKQAVKIBFVOK-VQTJNVASSA-N 474.583 1.310 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1539446506 DSMVNQNKQQHKBS-FXAWDEMLSA-N 492.596 1.517 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOCC(F)(F)C(F)F)CC1 1539460077 VFVOJBHDYDDBTD-UHFFFAOYSA-N 457.476 1.812 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCCO)c(OC)c1 1539538203 FECZQYLDAQPNIO-OPAMFIHVSA-N 477.587 1.308 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(-n3ccnc3C)nc2)CC1 1539829102 TWTSDSZFRFHCTC-INIZCTEOSA-N 456.576 1.982 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1540004546 AWGMTYWCMNUHEF-OALUTQOASA-N 482.651 1.566 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cnn(C)c3)C(=O)C2)cc1 1540877422 UOXLUJKZSDLPLC-UHFFFAOYSA-N 478.557 1.616 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(=O)NCC)CC1 1540900554 ZODCTZBONMDKAX-UHFFFAOYSA-N 497.625 1.352 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1540902312 GQNKLYRLYBKXOI-IRXDYDNUSA-N 475.571 1.496 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1540929902 WEKSJYLUKPHIFV-IBGZPJMESA-N 464.530 1.252 30 10 JDEE CC(C)(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN1CCCS1(=O)=O 1541183456 FGRKGTMNNCAPFU-UHFFFAOYSA-N 472.619 1.495 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCCNS(C)(=O)=O)c1 1587693332 RHDNGBDCKBUFDP-GOSISDBHSA-N 474.587 1.168 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1CCCN1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 1588065453 YVMHRTZNJYQKSP-FQEVSTJZSA-N 463.648 1.484 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1588069147 IDZULPXBTSNQCP-IBGZPJMESA-N 473.599 1.571 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CCN1CCCS1(=O)=O 1588560850 WLCORXJQDZOQKE-UHFFFAOYSA-N 485.589 1.954 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1589110015 NMZOFVNTSIFNGN-FQEVSTJZSA-N 487.674 1.290 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)NC)C1 1589483232 NPVAJYVIWKVCGR-AOIWGVFYSA-N 453.547 1.869 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1589528049 CKTNBZYVFAGVJM-QFBILLFUSA-N 461.592 1.624 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1589708625 QYSWOSIZQAUOGS-SFHVURJKSA-N 490.630 1.754 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(C(=O)NC)c2)CC1 1594096470 BQCFIMBEJWCMKC-LJQANCHMSA-N 474.587 1.175 30 10 JDEE C=CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)C(=O)C1)c1ccccc1 1594544278 HZYUSBRAGVQWAS-SFTDATJTSA-N 487.626 1.835 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1CCN1CCCS1(=O)=O 1595119999 KKILIIFDZAJUCV-UHFFFAOYSA-N 458.588 1.629 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1595507028 UDOHNFRWJUZWOZ-UHFFFAOYSA-N 466.546 1.325 30 10 JDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1619770413 FTDQUKLWERVPBE-QHCPKHFHSA-N 464.530 1.191 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2CCCn2cc(Br)cn2)cc1 1620350216 FUTDVFUKTQXCDG-UHFFFAOYSA-N 455.320 1.802 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(O)(C3(C(=O)OC)CCC3)CC2)s1 1653672318 UJXVWEKKAKUFMF-UHFFFAOYSA-N 456.586 1.452 30 10 JDEE CCN(C[C@H](C)C#N)C(=O)CN1CCN(C(=O)COc2ccc(Br)cc2)CC1 1657311536 HKIMWSJHJHOXFP-MRXNPFEDSA-N 451.365 1.980 30 10 JDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C1CCN(C(=O)OCc2ccccc2)CC1 1660940378 NEHSHKQCQACINP-GOSISDBHSA-N 456.586 1.793 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1689984272 MKEIFLMGTIYXAP-QGZVFWFLSA-N 474.583 1.894 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689997286 ZKEKGINLNSWCPO-SJORKVTESA-N 469.608 1.697 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccc(N2CCOCC2)n1 1690006528 RSTLYZCFXUQXDM-UHFFFAOYSA-N 490.589 1.701 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNS(=O)(=O)CC 1690075516 NAVLCIGLMHOJMR-QGZVFWFLSA-N 468.624 1.791 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC(C)(C)COC)CC1 1690135296 UMVVOZLIESYGKK-UHFFFAOYSA-N 458.607 1.933 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2Cc3ccccc3O2)CC1 1690138250 WTVGUYIYMBJVAQ-WIYYLYMNSA-N 467.570 1.972 30 10 JDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCCS1(=O)=O 1690523189 VSTUDUOAZVVBAQ-OAHLLOKOSA-N 452.606 1.828 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccc2F)CC1 1690678121 LRIYZBIVNLQTEJ-LPHOPBHVSA-N 459.526 1.165 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCOC[C@H]2C)C1 1690700054 NBDWGGVHYSSMOW-MKXGPGLRSA-N 469.608 1.065 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1690723672 XYZLDYWDVFESEP-PKOBYXMFSA-N 459.572 1.833 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1690729221 JJQIRVABYAVJQF-SFHVURJKSA-N 484.648 1.144 30 10 JDEE CC(C)N(CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)C 1692484241 FUQKNRQPYMKGKI-HXUWFJFHSA-N 465.606 1.941 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCOC[C@H]1OC 1694347443 GUVBYOBIASCSON-PZJWPPBQSA-N 496.616 1.841 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1698487242 FNLPBKUAAQEQOK-XLIONFOSSA-N 499.515 1.914 30 10 JDEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705529850 GNNJRYFQQFPLMR-UHFFFAOYSA-N 474.569 1.717 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc(-c2ccc(C)cc2)n1 1705551857 SGKVGZLEMFDSFS-IBGZPJMESA-N 470.555 1.692 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705562694 HYZKCMIRLZDFQW-YLJYHZDGSA-N 478.018 1.946 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)F)c1 1705583133 RBYWUKDCRNAXSD-GOSISDBHSA-N 463.510 1.670 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CC23CCOCC3)CC1 1705645535 WUUYSZFHHSBKSG-UYAOXDASSA-N 459.591 1.785 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCC2)CC1 1705651249 PEVVAFFKUIEDQE-UHFFFAOYSA-N 462.554 2.000 30 10 JDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705662816 MBFPLOYEEZNBTB-HXUWFJFHSA-N 467.643 1.763 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOCC)CC1 1705674127 AKDSCZSZEAFMDU-GHTZIAJQSA-N 465.620 1.810 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(S(C)(=O)=O)CC1 1705707187 GJOPVSOBSQESAG-ZULIPRJHSA-N 468.620 1.997 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)N(CC)CC)CC1 1705898678 TUOOKISZRDXVLQ-UHFFFAOYSA-N 485.589 1.848 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(S(=O)(=O)CC)CC1 1705904134 GUNUZAIPTZAFKR-UHFFFAOYSA-N 467.542 1.853 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3cccc(C#N)c3)C2)nnc1[C@@]1(OCC)CCOC1 1705909373 VGABHWMWIXNXDM-HYBUGGRVSA-N 466.542 1.682 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1705935655 YTRIDPSEFNTDSI-UHFFFAOYSA-N 467.617 1.342 30 10 JDEE CC(C)(C)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1706150435 IEAVXLLUCPZZCI-HSZRJFAPSA-N 472.615 1.677 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nc(C)cs2)CC1 1711419588 HULBZZGOXZGBMQ-UHFFFAOYSA-N 472.600 1.458 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722360213 FHMVGQFCCLTOHD-LJQANCHMSA-N 473.599 1.303 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1722367654 NLZOYYQNTKVOCZ-KRWDZBQOSA-N 498.609 1.634 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1722368936 UPVDTAKZKCSGIB-IBGZPJMESA-N 465.583 1.785 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccccc1C 1722397298 PBNUEWOQKLQSHX-JOCHJYFZSA-N 485.610 1.851 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(NC(N)=O)cc2)CC1 1722432313 XXFRESYLZAOBKM-XMMPIXPASA-N 467.574 1.613 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccnc2)C(C)C)CC1 1722438030 RSZYJUGBLJXIDT-SFTDATJTSA-N 456.616 1.770 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2nncn2C)CC1 1722442747 BDADCNLDELQNIV-UHFFFAOYSA-N 464.530 1.105 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722494684 ROLSVVZCVSXNLW-AZUAARDMSA-N 482.589 1.218 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722500452 RNZBMXMLIPYXKA-WHHPXKAQSA-N 464.563 1.344 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1722554748 HEIZCMVFAWIGIK-INIZCTEOSA-N 465.963 1.601 30 10 JDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1722685336 FJDPBCBZQABKIJ-IBGZPJMESA-N 473.599 1.656 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(C#N)c1 1729213484 GSGUKYQNNOTSKO-UHFFFAOYSA-N 456.576 1.858 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC2([S@](C)=O)CC2)c1 1740564620 SKULTLAIWHWVTC-XIFFEERXSA-N 468.583 1.368 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1740624242 GSPNMKYNXPYQCO-MRXNPFEDSA-N 456.519 1.396 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCOc1ccc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1740624245 GXKLGMAONSMTQP-KRWDZBQOSA-N 492.989 1.155 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740628984 XYVOHMDDPAGQEI-MRXNPFEDSA-N 465.963 1.225 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccnc2OCC)CC1 1740693313 WXGATIAUNISSON-DEOSSOPVSA-N 454.575 1.916 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC[C@H]2COCCO2)CC1 1740707814 QVBOZIGIMNPPGC-IBGZPJMESA-N 471.533 1.768 30 10 JDEE C#CCSCCn1c(N2CCN(CC3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1740723904 VZCWDIHMCPZYBM-HSZRJFAPSA-N 463.648 1.845 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1740793987 XNMPEEKPJBNQPO-AVRDEDQJSA-N 485.651 1.845 30 10 JDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1740795869 HERYWATZYIMQQP-UHFFFAOYSA-N 450.547 1.586 30 10 JDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1740885172 ADUHOUSWOQDWFL-INIZCTEOSA-N 460.608 1.953 30 10 JDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1CCS(=O)(=O)CC1 1740940899 WABZUVUEAFSEAZ-UHFFFAOYSA-N 451.549 1.469 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(Nc2cccnn2)CC1 1740953983 YNMCMSRAKUBZQP-UHFFFAOYSA-N 496.597 1.522 30 10 JDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1740957749 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C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1748772452 OKIQUWDGTZGRRH-HZPDHXFCSA-N 466.608 1.747 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1F)[C@H]1CCS(=O)(=O)C1 1748805010 MVVLWIQDVRQVTD-WBVHZDCISA-N 483.591 1.011 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1748805835 WXJBOXBZTHVLBC-UTKZUKDTSA-N 479.628 1.565 30 10 JDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1749169114 OJAJAFNKEXOJFE-INIZCTEOSA-N 452.567 1.925 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC2(CCOCC2)C1 1749193291 FVJMPRAXRGDIPF-INIZCTEOSA-N 457.622 1.290 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N1CCOCC1 1749528115 DCWOLFMZDKNVPI-UHFFFAOYSA-N 482.585 1.964 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1749737241 ZYJPDLYTTIOJAX-UHFFFAOYSA-N 473.603 1.203 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCC2CC2)CC1 1760154788 ISHKEKAXJBYTSX-LJQANCHMSA-N 451.593 1.420 30 10 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ATEGVULOIFICRX-LSDHHAIUSA-N 465.601 1.652 30 10 JDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 1290975608 AHFJKGQMESBBJP-SFHVURJKSA-N 450.591 1.510 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)s1 1292841924 RUCBGKQERIWHAS-CYBMUJFWSA-N 457.599 1.622 30 10 JDEE C#CCN1CCCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(OCC)cc2)CC1 1293713149 QNFWUBHVUCYXJE-HXUWFJFHSA-N 453.630 1.653 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1300491346 HIYBCNMRDRPDHN-HOTGVXAUSA-N 451.499 1.699 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCNC(=O)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1300491459 HTAHJCFUYIOPJC-IBGZPJMESA-N 479.566 1.100 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)OCCc2sccc21 1300537869 KQWYYMLGSSMGPP-GCJKJVERSA-N 489.623 1.233 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2cccc(Cl)c2n1C 1300671228 FMFCXRAOBQLORY-OAHLLOKOSA-N 476.990 1.855 30 10 JDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC(=O)N1CCN(c2ccccc2)CC1 1300675378 QAMLLCWDHZJEJR-UHFFFAOYSA-N 490.612 1.575 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCOC)CC1 1300883552 CRGQVPUUNCGROD-ZVDOUQERSA-N 474.606 1.580 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1301514289 IQJZEWCPAJCHIR-QAPCUYQASA-N 458.950 1.775 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1CCN(CC(F)(F)F)CC1 1303822707 DWAOHBVUSFAXRZ-CQSZACIVSA-N 477.557 1.903 30 10 JDEE C#C[C@@H](NC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(Br)cc1 1312009511 UMEJZRSHVMOOOH-IAGOWNOFSA-N 458.378 1.911 30 10 JDEE C=CC[C@]1(C(=O)N(CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 1348580396 CWATXRWOEABUJE-HRAATJIYSA-N 457.593 1.484 30 10 JDEE C=CCOc1cccnc1C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1352497045 DWZNAHJSCDWUSZ-UHFFFAOYSA-N 451.526 1.641 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1358956513 GWRYEXACWGMEDG-IERDGZPVSA-N 479.628 1.624 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358959128 CEGXYUUQSRTQMM-ROUUACIJSA-N 463.007 1.960 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358960753 KXPXBXPLLKUKHJ-ZCNNSNEGSA-N 472.615 1.466 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOC1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1358964128 ULBOTOXLBBQVFD-MOPGFXCFSA-N 498.671 1.546 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(F)c(F)c1 1359010159 ICGRNYULJSYNCI-SFHVURJKSA-N 469.514 1.428 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1359055472 FHTXIQLDXDQESV-FQEVSTJZSA-N 482.610 1.496 30 10 JDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359203779 VQSZVYAYWXEUCQ-HNNXBMFYSA-N 450.565 1.057 30 10 JDEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359211818 PLSSBHTZXHYYSY-GOSISDBHSA-N 468.558 1.854 30 10 JDEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1359251853 XGJGSJDUWOFIMU-VGSWGCGISA-N 497.618 1.291 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCSC1 1359277500 NTAYYNYMBPQUTJ-JXFKEZNVSA-N 452.602 1.876 30 10 JDEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1359283577 CHXXPAKBGDXSRR-HNNXBMFYSA-N 470.509 1.210 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1359284527 VJIRNJUMWBANDL-KRWDZBQOSA-N 458.588 1.876 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1359287628 OPVWBRIWBMQCHO-FQEVSTJZSA-N 489.646 1.935 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)COC)CC1 1359304732 HVVCVIWMARNJQG-UHFFFAOYSA-N 458.588 1.476 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1359326445 ABEVWYINQGEYKQ-OAHLLOKOSA-N 470.596 1.121 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1359333864 MPFCBOCAAHMUKQ-UNMCSNQZSA-N 473.643 1.935 30 10 JDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1359335303 HQPHBFMTAGRNDZ-KRWDZBQOSA-N 454.515 1.945 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CC(N)=O)CC1 1359336559 URVQJAVZDOANMU-IEBWSBKVSA-N 467.636 1.889 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359342654 BYBMTVBNZQYFDE-MRXNPFEDSA-N 455.650 1.794 30 10 JDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1451876187 DVIPGBBIGBUMIA-LPHOPBHVSA-N 453.536 1.146 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1507517418 QFAWGMDQFXKKCP-CVEARBPZSA-N 450.536 1.955 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507527075 GBDLIXBJGXODKV-ZWKOTPCHSA-N 453.572 1.870 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507625161 HMEIWMNJFMNOMB-MOXWOTFGSA-N 466.604 1.370 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1507630148 UJFAKOAKCMEXIH-IRXDYDNUSA-N 480.587 1.678 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1507639455 KJOGSRGGHQDDKU-MSOLQXFVSA-N 457.556 1.071 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1507721921 NDLQAPQMRRUUKZ-YLJYHZDGSA-N 477.610 1.086 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)c2ccc(OC)cc2)CC1 1507732885 YTHWTJLYCQCIKT-LJQANCHMSA-N 471.627 1.922 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(Br)n2)CC1 1507738672 VBHGXEHWQQRMDG-INIZCTEOSA-N 486.374 1.401 30 10 JDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1507839328 CIBJGNSHTKSHBN-UHFFFAOYSA-N 465.562 1.818 30 10 JDEE C=C(C)COCCn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507849201 ULNXMEHIYODNHJ-BJKOFHAPSA-N 490.605 1.726 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NC2CCCCC2)CC1 1507904504 YPUVFUDGOYOPFT-IBGZPJMESA-N 480.635 1.462 30 10 JDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1507936310 AYNYPWQVDGMQNH-GOSISDBHSA-N 489.602 1.522 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1507944872 WNZCYRVORMPSES-JKSUJKDBSA-N 459.580 1.231 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)(C)C)CC1 1508072287 IRUGTXCAMMLGGO-UHFFFAOYSA-N 489.646 1.418 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCc2nn(C)c(=O)cc2C1 1508072318 FNYBMISZVNDRTR-GOSISDBHSA-N 477.569 1.994 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1508078238 XJWSTHWHUATYRK-UHFFFAOYSA-N 450.547 1.749 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1508094499 YHURAWNYABEFEB-KBPBESRZSA-N 465.526 1.884 30 10 JDEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CC1 1515482785 BCPNSGNPGMJPDC-SANMLTNESA-N 494.644 1.264 30 10 JDEE COCC[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1518963656 FCYMVWQOQATGRN-GBXCKJPGSA-N 468.558 1.936 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCNC(=O)[C@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1539212622 WORXJVLAQGRUPB-MSOLQXFVSA-N 458.588 1.519 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539218983 ARZSUKVXINFTAY-HOTGVXAUSA-N 494.618 1.159 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(CS(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1539225101 LTEAGRKGXPPKPW-HXUWFJFHSA-N 476.624 1.450 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)c1ccco1 1539260790 UXTFLXADKSSIOD-UHFFFAOYSA-N 469.505 1.771 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCn2nc(C)cc2C)CC1 1539468399 FNVNJBXGXCTFMT-VWLOTQADSA-N 483.617 1.800 30 10 JDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(OCC(N)=O)CC1 1539517227 KKEMNRJVGPYXDY-UHFFFAOYSA-N 484.630 1.289 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1539902841 OAUJMXZEFJTHNL-QGZVFWFLSA-N 492.650 1.924 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1539966947 NIWIBNQFBMLPMD-QRVBRYPASA-N 453.609 1.973 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1540861943 MJHPLXLYZGRHMB-MRXNPFEDSA-N 463.583 1.554 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1540873573 CKYULIXQSVJBSC-MRXNPFEDSA-N 461.567 1.148 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(c2nccnc2C)CC1 1540875536 OYVOYNBPMWRBFG-UHFFFAOYSA-N 466.521 1.723 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1540897448 JHJNGDQAWCDEOM-JKSUJKDBSA-N 486.591 1.781 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1540900900 MEVHAIGZBSKJHS-UHFFFAOYSA-N 498.613 1.321 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1540901773 OSQSCANSUZWQKC-UHFFFAOYSA-N 485.545 1.324 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)[C@H](OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1540908304 FIWBPITVNHDUPF-UEXGIBASSA-N 456.609 1.781 30 10 JDEE CC1CCN([C@@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)CC1 1544281941 IEGCIFRCOJNWIT-FPOVZHCZSA-N 493.678 1.861 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1545091236 CGPUKSVVOIFGQT-QRVBRYPASA-N 489.646 1.896 30 10 JDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1554381683 GJXPSGAHKKPKJD-AEFFLSMTSA-N 453.547 1.130 30 10 JDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C(=O)OC)c1Br 1561149044 GJOUWOZMXFFWAJ-NSHDSACASA-N 450.332 1.047 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588029559 IXRXPAQITTYBQU-JLHGSKIFSA-N 474.587 1.349 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CCN1CCOCC1(C)C)[C@H]1CCS(=O)(=O)C1 1588045265 IMZOGBCPLZOZCP-FQEVSTJZSA-N 471.627 1.991 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC2CC2)c1 1588228912 NCJLQMNNOIBUPT-HXUWFJFHSA-N 453.568 1.875 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ncc(C)s1 1588386035 MLBSCXGSVHBVCS-GOEBONIOSA-N 452.606 1.639 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCCN(C)S(=O)(=O)CC)CC1 1588791433 ULNRAXVXSFWLRK-UHFFFAOYSA-N 481.626 1.920 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1588800666 MHESAVXSLDVWHC-IBGZPJMESA-N 454.579 1.833 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCC2(O)CCOCC2)CC1 1588871422 CQWASJGEIVWVGW-UHFFFAOYSA-N 455.559 1.553 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC(C)C)nc2)CC1 1588884556 FBVRIHZRDGOUCQ-UHFFFAOYSA-N 467.574 1.613 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCN(CC)CC1 1589216091 JLMCLUHHMJZZOT-TXTKFYIRSA-N 462.664 1.446 30 10 JDEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1589366526 GDJALSHJECNDMC-CQSZACIVSA-N 457.398 1.958 30 10 JDEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO1)c1ccccc1 1593789263 JUXGIVYBJONXQN-UXHICEINSA-N 461.588 1.940 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1594679983 LZNHDOMOAWLQDK-INIZCTEOSA-N 451.597 1.782 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCN2CCOC[C@@H]2C1)C(C)C 1595166013 PHVMBMNSMUWKBE-RBBKRZOGSA-N 452.607 1.955 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1595405392 MYFILNABMAGYBE-RBUKOAKNSA-N 462.595 1.931 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1595476631 MDCNIHSNRRNSNH-FCHUYYIVSA-N 479.629 1.865 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1595496996 NDQXQIXSPGSRNN-WCJKSRRJSA-N 456.503 1.928 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1595517051 NNRSELOAZVHJDP-INIZCTEOSA-N 456.547 1.712 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1595550987 KJBBWUNCLKEMOW-RDTXWAMCSA-N 481.525 1.339 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1595789560 WSZCYDDDZAVPHG-SFHVURJKSA-N 478.619 1.059 30 10 JDEE C#CCN1CCC[C@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)C1 1595789821 CCZIQOBDAVRKKX-JZXOWHBKSA-N 453.992 1.965 30 10 JDEE 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JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760179611 VRISXBFOAGFJGH-HYBUGGRVSA-N 485.610 1.439 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CC[C@@H](C(F)F)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760189394 OSKOTBDDYXLUMD-ROUUACIJSA-N 496.584 1.266 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@@H]1C 1760235729 VUKOSBZOLAPASF-OALUTQOASA-N 462.595 1.767 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CCC[C@H]2C)n1 1760252441 NQAKHVSIIIVBII-WZONZLPQSA-N 452.563 1.712 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCN(C)C2=O)CC1 1760428458 WWBOMJYLAGPSGE-GOSISDBHSA-N 480.635 1.416 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760514854 HHDQCQWBZOZYSD-UHFFFAOYSA-N 484.586 1.155 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1760515206 RJBSQIYNRYBGOA-FQEVSTJZSA-N 474.569 1.938 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1760519817 QMKKSEZNVZDKNL-HXUWFJFHSA-N 465.602 1.770 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1760527947 NHLGXFYPIUHIHL-UHFFFAOYSA-N 491.552 1.525 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3nccnc3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760528586 HGMFPGMIVIKUOI-QHCPKHFHSA-N 470.578 1.046 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC[C@@H]1CCCCO1 1761234240 IATWMFYUUFWTLB-IBGZPJMESA-N 452.563 1.969 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnc(C)s2)C1 1767251904 GWSMNBIAAIGPAJ-INIZCTEOSA-N 458.573 1.543 30 10 JDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1770335627 GWRLWUJGYVQWIN-UHFFFAOYSA-N 456.507 1.117 30 10 JDEE COc1cc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCO)ccc1OCCN1CCOCC1 1862603673 FGZIIKBKFUGBIB-QHCPKHFHSA-N 498.532 1.682 30 10 JDEE C=CCN(CC=C)c1nc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n([C@H]2CCS(=O)(=O)C2)n1 1870004593 FMWZCXBVRWVHIP-AWEZNQCLSA-N 491.486 1.885 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)Cn2cnc3c(nnn3Cc3cccc(F)c3)c2=O)nc1C 1870103411 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C#CCN(c1nnc(COCC)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1286396511 QDOVFGRZUCKHPK-CVEARBPZSA-N 463.526 1.326 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1286793942 QIXIEXMYZHRFGB-OAQYLSRUSA-N 453.591 1.690 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)cc1 1286795348 AKTWQLIXCZNKTI-HKUYNNGSSA-N 459.572 1.856 30 10 JDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286799065 PGOICVHKSVCWEG-XMMPIXPASA-N 452.559 1.976 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2COCCO2)C1 1286808332 BHXVUVZVUFMFPT-CEXWTWQISA-N 479.578 1.783 30 10 JDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1298010728 CRRFTCCABLXOBP-UHFFFAOYSA-N 493.490 1.712 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1N1CCCC1 1300306929 ALZBKZRDQPRYHV-DYESRHJHSA-N 490.605 1.857 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1300479898 UKVIWGDRTFGNGF-LJQANCHMSA-N 462.620 1.085 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCn2ccnc2C1)[C@H]1CCS(=O)(=O)C1 1300483804 MGPZUCLHBUSBNN-FHWLQOOXSA-N 476.603 1.088 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1300492594 NRVSUSIIFOVZKY-OAQYLSRUSA-N 492.605 1.878 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1300492728 OVRRRCQKKWQMRO-IEBWSBKVSA-N 457.556 1.303 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCS(=O)(=O)N(C)C 1300642551 RXECXAKCNZSWIB-UHFFFAOYSA-N 450.540 1.087 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1300683219 XOUZGIUDNPMVGX-UHFFFAOYSA-N 493.593 1.274 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCOC2)CC1 1300716869 UAADIAGVSXKLET-DVECYGJZSA-N 459.591 1.711 30 10 JDEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1300764664 ZTJFPXDUSSECEU-UHFFFAOYSA-N 465.649 1.396 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1300823253 APLLTYMWJPCRIH-KRWDZBQOSA-N 490.406 1.674 30 10 JDEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1301023474 GMGREKDOHCWGTE-UHFFFAOYSA-N 461.910 1.779 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 1301514822 NJZBCWSZHQRZIH-UHFFFAOYSA-N 476.516 1.892 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1301534592 CFJJXJYKMUDPNP-OALUTQOASA-N 453.547 1.965 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1301575346 FFHWFGNSWNLGAT-UHFFFAOYSA-N 478.582 1.843 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCN(C(C)=O)CC1 1301575967 NYFSZJVEAPBZMU-UHFFFAOYSA-N 477.587 1.622 30 10 JDEE COc1ccccc1Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)N(C)C 1315628600 DDSAOPJXVMBNSU-UHFFFAOYSA-N 460.542 1.559 30 10 JDEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CC1=O 1316114660 FLDHBMBNLNTGHL-AZUAARDMSA-N 486.598 1.325 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C)cc2Oc2ccnc(C(=O)NC)c2)C1=O 1355234985 RJAIPBKLHBOXTR-UHFFFAOYSA-N 451.439 1.457 30 10 JDEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCOCCCO)[C@@H]1CCS(=O)(=O)C1 1358958086 HOAQUPQEJKDLAI-GOSISDBHSA-N 458.540 1.717 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN1CCCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1358960268 ANRGRKHXLATGNH-VQTJNVASSA-N 459.620 1.570 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1358962401 PDNURMYCFHBZAP-RIYSCVPDSA-N 454.618 1.100 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CC[C@H](CO)O2)CC1 1359045865 WIHJPCMUBNMQHM-ZWKOTPCHSA-N 473.524 1.653 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(C)(C)CN1CCOCC1 1359056560 HDXWXOONNDMVSJ-GOSISDBHSA-N 469.677 1.341 30 10 JDEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1359261377 GRSXFWVWCNOPIK-IBGZPJMESA-N 453.590 1.220 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1359303650 WJCVQESUXBTQEM-SFHVURJKSA-N 471.606 1.178 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CCCS2(=O)=O)C1 1359315003 MNBHKJMSJIDEIA-SFHVURJKSA-N 477.587 1.779 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1359330713 ANQAIAVKVDJBJO-UHFFFAOYSA-N 475.525 1.941 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1359331699 GIKLWKYQUCZYBN-GOSISDBHSA-N 487.561 1.167 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1359343563 VSYXTUXWHHZLAE-RBUKOAKNSA-N 469.677 1.648 30 10 JDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1360295555 GNLSQRYAPSCCLL-HXOBKFHXSA-N 454.531 1.638 30 10 JDEE Cc1cc(C(F)(F)F)ccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1361006871 BAUDFESHILPRBL-BBRMVZONSA-N 472.493 1.993 30 10 JDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)N1CCC(Cc2ccccc2)CC1 1445152668 GOBNKQKQHLXTPU-UHFFFAOYSA-N 454.552 1.323 30 10 JDEE N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1464363136 HMXQLJYFKQRSAO-OAHLLOKOSA-N 457.394 1.396 30 10 JDEE C#CCN(C(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O)[C@H]1CCS(=O)(=O)C1 1471172159 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C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507811575 SFMIJKAUQRRVQX-SQMWVJLWSA-N 460.623 1.785 30 10 JDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1507919486 NZNBQZXFSZAKHD-QGZVFWFLSA-N 452.625 1.768 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1507935884 VRDDNFRPMIREBF-MSOLQXFVSA-N 484.623 1.682 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(F)c2C1 1508075942 QWSBQARAABLGCB-GFCCVEGCSA-N 454.503 1.031 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(C(=O)NC)CC1 1508088254 FPIFAHOPUOXPGI-UHFFFAOYSA-N 489.621 1.657 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1508091890 OIJQMZXXMSLNEE-UHFFFAOYSA-N 491.581 1.165 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCN(C(C)=O)C[C@H]1C 1508092669 DYBWVKSLSLJIQQ-QGZVFWFLSA-N 456.547 1.615 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1508129210 QCXVKRIDIKSNHZ-SFHVURJKSA-N 488.618 1.010 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C)(COC)CC1 1508132114 VFETUOMPSYDFBU-UHFFFAOYSA-N 462.576 1.779 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C(=O)OC)C1 1508134948 ANWAUTWUKVWKEI-OAHLLOKOSA-N 464.544 1.562 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1508135227 LDKZFWKHDLXQJR-MRXNPFEDSA-N 484.600 1.186 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1508142355 BZEWVQNWNQBCQJ-GOSISDBHSA-N 468.601 1.390 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@H](Oc2ccccn2)C1 1508143206 FTSGERPRDQMHOU-IBGZPJMESA-N 454.556 1.917 30 10 JDEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](CNC(C)=O)C2)cn1 1519182587 AWZBRUHMWFFJHZ-NRFANRHFSA-N 464.530 1.049 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1539222397 VUGNDVDOEPWBJS-NHCUHLMSSA-N 485.610 1.353 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1539230449 HTUSHESUTXEQRL-RCCFBDPRSA-N 450.605 1.860 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1nc(C)no1 1539315018 BYBPKLOGNVVINB-UHFFFAOYSA-N 456.510 1.979 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN1c1cc(NC)ncn1 1539337045 CBSOQFSVCXMOJM-MZKRTTBSSA-N 478.601 1.966 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](c2ccccc2)N(C)C)CC1 1539430928 OVZPIRZYQOKTMF-WIOPSUGQSA-N 452.603 1.988 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCS(=O)(=O)C2)CC1 1539476270 UEWOGAYSBZICRS-MRXNPFEDSA-N 476.002 1.999 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CC(C)(C)C2)CC1 1539482120 RFMCCESETITNNA-IBGZPJMESA-N 492.646 1.013 30 10 JDEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(N)=O)CC1 1539750659 SMUPHWUTALSHBL-GOSISDBHSA-N 478.594 1.881 30 10 JDEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1NC(=O)CC1(C)C 1540193655 ASEWVCAJQYCODR-GOSISDBHSA-N 451.535 1.474 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCS(C)(=O)=O)C1CC1 1540858325 QRLDIUOMNSKOGL-MRXNPFEDSA-N 455.581 1.786 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1540873629 DYUXGTGNYZUVKO-FQEVSTJZSA-N 468.558 1.029 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1540874972 XVJMIEYYABKKLV-UHFFFAOYSA-N 478.557 1.593 30 10 JDEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)CS(C)(=O)=O)CC1 1547727519 GMBGXSKMMTVGJX-VQTJNVASSA-N 487.674 1.960 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccsc1)N(CC)CC 1587990304 VHQXGQKEMINVEE-MOPGFXCFSA-N 480.660 1.825 30 10 JDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1588050276 QHPAEFDOTMBMII-NRFANRHFSA-N 468.583 1.920 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1C 1588139529 ONNJIKAWKSRHBR-CTNGQTDRSA-N 471.583 1.460 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2Cn2cccn2)CC1 1588885663 YGNCNNUIOCKBMI-UHFFFAOYSA-N 488.596 1.675 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(C)CN(C)C2=O)CC1 1588946709 HRJQEVXAGUMQJD-XMMPIXPASA-N 452.534 1.452 30 10 JDEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1588994216 RKJNMPOLTMJFKW-ZDUSSCGKSA-N 487.449 1.872 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1594733843 YTOWXFDXVLKYEX-INIZCTEOSA-N 461.548 1.776 30 10 JDEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1594807205 HQQDDUFSIFAIPL-KRWDZBQOSA-N 486.598 1.891 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](C(=O)OC)C[C@H]2[C@@H]2CCCO2)ccc1F 1617306727 NYEFDBXXCLCAQK-SZMVWBNQSA-N 454.520 1.863 30 10 JDEE C=CC[C@@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C)C(=O)OCC 1632656547 SOJGMWAREJTDLA-APWZRJJASA-N 454.545 1.775 30 10 JDEE CC#CC[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 1640795103 WVYSJDQXOISFNG-FQEVSTJZSA-N 459.543 1.841 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCOC(C)C)CC1 1690114752 GBODYRJKBBMVJN-UHFFFAOYSA-N 474.631 1.766 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccn(C)n2)CC1 1690134714 CGSYTQBXAXOQJV-IZAXUBKRSA-N 454.579 1.586 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccnc(SC)c2)CC1 1690143737 AHAYATAOKWPAMM-KRWDZBQOSA-N 453.572 1.360 30 10 JDEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1690592914 MTULUTKUARHSJE-XMMPIXPASA-N 498.609 1.964 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1690659673 ZQBBESMYGMXXQF-UHFFFAOYSA-N 485.564 1.139 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1690666813 HOPWPCHZASYTQJ-UHFFFAOYSA-N 469.546 1.606 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1N1CCOCC1 1690669624 KIFSWSJOMXPJPW-SFHVURJKSA-N 453.547 1.004 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC[C@@](C)(CC)O2)C1 1690700899 ZHNXNXLOTMTBLI-NXWNEQKCSA-N 483.635 1.740 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cnn(C)c2)CC1 1690719870 UMWNAXWBSVVEQU-UHFFFAOYSA-N 476.994 1.654 30 10 JDEE C[C@H]1CCCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCNS(C)(=O)=O)C1 1693666055 IDSFZLSZJGSVKC-ZWKOTPCHSA-N 459.620 1.923 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1705559069 PUICUODJSXYYEQ-PKOBYXMFSA-N 464.636 1.308 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705561850 UZOPMYWCUBWDQN-PZJWPPBQSA-N 487.626 1.549 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1705563520 YYXBRWATGISESM-IUSZMWJPSA-N 482.965 1.904 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1705569335 CAKYPULUTTZBPU-FQEVSTJZSA-N 459.616 1.844 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](CC)NC(=O)OC(C)(C)C 1705574060 TYEVGTBNKYSOCD-HOTGVXAUSA-N 452.581 1.264 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1705805325 DUHUEFSAJKFNTO-LJQANCHMSA-N 465.620 1.612 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1705830563 SGJNFDOBVHMSHI-MOPGFXCFSA-N 464.592 1.183 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCN(C)C1 1705857784 LJYIAJJVJBZFNH-VGSWGCGISA-N 473.603 1.019 30 10 JDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705889254 CSFNQHPXWONYAM-OAHLLOKOSA-N 467.621 1.190 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1705898251 GQWSNVDPQVNDLH-PBHICJAKSA-N 456.503 1.199 30 10 JDEE CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)CC)CC1 1710353132 HJOVACWFFNVYPG-UHFFFAOYSA-N 489.602 1.813 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1722364413 GYRCUMGIWDXSSN-NRFANRHFSA-N 452.584 1.894 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1722371897 ZNRBEGACOPGPJN-FXAWDEMLSA-N 460.556 1.822 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1722433177 ODYKBHZCLUEWGG-XDOYNYLZSA-N 465.945 1.880 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)NCCC)CC1 1722449712 OMJYSZUTRCIJTQ-UHFFFAOYSA-N 454.579 1.022 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(CS(C)(=O)=O)cc1 1722473976 KAOSLIWRQUFAKW-SIKLNZKXSA-N 476.624 1.765 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1722484369 HUMMJFTXSXVSFQ-LBPRGKRZSA-N 479.360 1.624 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722492611 DDEAIEAHTLQELS-WMZOPIPTSA-N 487.605 1.698 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1722685684 JRHMXBSISCQNPP-MRXNPFEDSA-N 480.616 1.129 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2[C@@H]1C 1722724013 KRUNSRDUCBXMID-HOTGVXAUSA-N 467.617 1.613 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1722725109 FRNQDUZMMVDORY-GOSISDBHSA-N 456.576 1.991 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1722729200 YAEHAZBOIDWTRQ-QZTJIDSGSA-N 453.609 1.658 30 10 JDEE CO[C@H](C)c1nc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cs1 1729819723 BODPRPGAHIXVEU-QFSBIZTOSA-N 457.557 1.542 30 10 JDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1)OC 1730466602 CSDIKEWRHWSMRO-KNQAVFIVSA-N 481.601 1.611 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2snnc2C)c1 1740564239 FZILHNQLNPZPCS-UHFFFAOYSA-N 464.555 1.665 30 10 JDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740577771 OZHMJDWNGMQQDD-IBGZPJMESA-N 483.598 1.840 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CC=CCO2)CC1 1740703036 DODRRZSBUGOHHS-HYBUGGRVSA-N 457.575 1.630 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2nnc(CC)s2)CC1 1740708591 VLZCAZIABFOXIE-UHFFFAOYSA-N 498.638 1.698 30 10 JDEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1740782047 WBOTUENKIWZOPG-UHFFFAOYSA-N 478.601 1.851 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1740825037 HXHZKULVNSSHFX-MRXNPFEDSA-N 485.657 1.685 30 10 JDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740864218 KHIPWRQOBPRGBJ-SFHVURJKSA-N 473.603 1.357 30 10 JDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1740942999 YQKZSWGJACMTHU-GOSISDBHSA-N 475.619 1.452 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1740947049 OTWGZVBYRBHKOR-RXVVDRJESA-N 490.630 1.689 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCCc2ccccc2)C1 1740982859 XRJLWFCDGWYBCX-UXHICEINSA-N 473.599 1.320 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@]2(O)CCN(C)C2)c1 1748692780 OFALIKKMFSWNRZ-NTKDMRAZSA-N 452.559 1.295 30 10 JDEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1748708003 RDAIELNSJHFQRT-UHFFFAOYSA-N 466.586 1.738 30 10 JDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1748711912 BWUSXJCTLRNINX-SFHVURJKSA-N 463.542 1.337 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1748817691 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1.783 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1690719983 WYGZRGSZYUIKSY-MRXNPFEDSA-N 464.979 1.795 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1690724224 KQLSUZFVDBEQJC-LJQANCHMSA-N 471.587 1.714 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCOCC2)c1 1691003496 ICTPBVRFEFSBEX-FUHWJXTLSA-N 474.587 1.777 30 10 JDEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCOCC2)CC1 1696975833 HUTSOBIOXDGNIG-SFHVURJKSA-N 451.575 1.890 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1705510664 VRAKWDHMAQHSLE-QFBILLFUSA-N 462.624 1.817 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1705568497 OQSZPNDNSXAKNJ-IBGZPJMESA-N 472.546 1.828 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3sccc3c2)CC1 1705632933 FKSCYRCRKSPBMV-MRXNPFEDSA-N 458.613 1.907 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1705639530 QHLNCYMTZQFNFP-KRWDZBQOSA-N 495.552 1.594 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)c1occc1C 1705674362 HEGHOWXXEVFBLS-HTAPYJJXSA-N 459.572 1.894 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(CC)(CC)OC 1705674626 NFJZKKBRYCSSAM-YLJYHZDGSA-N 453.609 1.808 30 10 JDEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705756720 LNGNBTLLSSPICF-UHFFFAOYSA-N 466.011 1.367 30 10 JDEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705827913 VEZLDBCBZGIYJI-UHFFFAOYSA-N 456.522 1.604 30 10 JDEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc2n1CCC2 1705881926 GJHAOLPAFNJNIA-UHFFFAOYSA-N 457.560 1.573 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1705932088 KQZZUIGXIPFGGY-ICSRJNTNSA-N 462.620 1.431 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCC(=O)NC1CCCCC1 1706867834 GTBADEWOEUKQQX-INIZCTEOSA-N 465.624 1.857 30 10 JDEE Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)c(F)c1 1707499909 HNFCANTYMKVDEI-YLJYHZDGSA-N 466.514 1.549 30 10 JDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C)[C@@H]1CCCN(c2cccnn2)C1 1711027908 FOPDKRXNCKYGAJ-HXUWFJFHSA-N 495.613 1.603 30 10 JDEE C#CCCCn1c(N2CCN(CC(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722340482 ADLOJWUUBSNYBG-XMMPIXPASA-N 458.607 1.477 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCc1nccs1)[C@H]1CCS(=O)(=O)C1 1722359997 YUDUROVHFPPAFM-HNNXBMFYSA-N 450.590 1.132 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)Oc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1722364754 AILJUZMYKAXKJL-NSHGMRRFSA-N 471.583 1.632 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722365619 DUZORIRNNMHBPI-AABGKKOBSA-N 470.599 1.159 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1NC(=O)CC1(C)C 1722399721 FMJFYKHUZOVQEY-HXUWFJFHSA-N 460.586 1.830 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1722434196 MPOMULLFJKETQJ-FQEVSTJZSA-N 489.527 1.965 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1722449684 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N#C[C@]1(F)CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1731180438 BGFDIWPDEIYJSC-LJQANCHMSA-N 483.953 1.892 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N2CCN(CC)CC2)c1 1740563888 ZVCZKLMDVVJPPC-HXUWFJFHSA-N 489.628 1.761 30 10 JDEE C#CCCCCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1740579025 OIHJVFOPRQVWND-QHCPKHFHSA-N 455.563 1.709 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1740626863 CVSMTMCAWIPTDT-XUVXKRRUSA-N 493.674 1.986 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1740631305 QBFAYZUOHMRTBV-IAGOWNOFSA-N 466.608 1.510 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@]1(O)CCS(=O)(=O)C1 1740682573 AGVODPUQADRZPP-LJQANCHMSA-N 483.388 1.343 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1740695919 HKVOEQPQWXSXTE-MOPGFXCFSA-N 470.540 1.581 30 10 JDEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CCOC)C(=O)C1 1740747007 UUQGDMRHDBKHLI-UHFFFAOYSA-N 455.382 1.837 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1740825485 OYQVGTWEHXPNJB-KNQAVFIVSA-N 479.603 1.885 30 10 JDEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1740841325 VNPXGQHKYPAGOW-UHFFFAOYSA-N 457.560 1.774 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1cscn1 1740958706 GHCRZCFUBZAYPU-UHFFFAOYSA-N 450.528 1.587 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1740964410 BTGOCMZURVHFBX-YTZAWJCFSA-N 492.621 1.972 30 10 JDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1745800618 AKMCWJFHBQOREC-UHFFFAOYSA-N 494.600 1.983 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CCNC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1748821662 SCDRXWKCRKQMLB-FQEVSTJZSA-N 481.578 1.713 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2conc2COC)CC1 1748985004 YZTILVLOYFYDDD-UHFFFAOYSA-N 452.515 1.900 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(C)COCCO2)CC1 1749019105 LDMFUFIRKTXYMS-DEOSSOPVSA-N 471.533 1.768 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1749039455 UOTSGUGCHFAXGS-ZDUSSCGKSA-N 476.550 1.935 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749175989 VRYQOQCLLMUFDV-INIZCTEOSA-N 467.617 1.690 30 10 JDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1749245157 AGAIMXLMLOZETM-UHFFFAOYSA-N 474.587 1.325 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(N2CCOCC2)CCSC1 1749574710 CRZGPHULMSFTNK-WIYYLYMNSA-N 467.661 1.567 30 10 JDEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1749609292 MDVSYONBPOGWDU-UHFFFAOYSA-N 476.484 1.240 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1749649966 DXQQQMUQRGPRDY-KRWDZBQOSA-N 476.545 1.123 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1749652391 MTEXSOKKLMNXIE-OAHLLOKOSA-N 461.320 1.651 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1749721540 NDGSKYLEHUMGRY-UHFFFAOYSA-N 492.577 1.119 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1749850191 YLQYBFKZIBQDDY-XUTLUUPISA-N 469.933 1.793 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)Cc2ccccc2C1 1760117519 PTXKYWVOTZQTBF-XLIONFOSSA-N 457.600 1.874 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1760128556 LPHGBYCCVGQJIC-QFIPXVFZSA-N 457.556 1.151 30 10 JDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C(=O)NC)CC1 1760132597 LCXBFHMOKRTYHY-UHFFFAOYSA-N 472.615 1.961 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1760189122 NVYKJQXZLWCWCH-KBPBESRZSA-N 451.574 1.384 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CCCC 1760220152 XCSWILWTKZOIGW-FCHUYYIVSA-N 490.674 1.729 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1760265261 UUPGXBMTSDDZRR-UHFFFAOYSA-N 487.605 1.249 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C(N)=O)nc2)CC1 1760271855 OSKHZPJEQKWLKC-UHFFFAOYSA-N 478.582 1.142 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1760274652 LYGNZPRALCPXNY-QAPCUYQASA-N 467.592 1.972 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1760327283 FTPNIHZOLOEOSE-NJDAHSKKSA-N 497.662 1.988 30 10 JDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1760422233 JSGWGQCDCCVMFW-OXQOHEQNSA-N 451.597 1.730 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1760440635 NPLORFAJNYBQIM-IBGZPJMESA-N 486.602 1.170 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1F 1760464429 HGCCHUUIMVTCGW-QAPCUYQASA-N 453.540 1.840 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](OC)C(C)(C)C1 1760523043 KPWLLOZNEKAUOZ-INIZCTEOSA-N 461.592 1.402 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)O[C@H](CC)C1 1760523767 HLGNKQOTXXAHJV-PKOBYXMFSA-N 454.579 1.758 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(NC(=O)C(C)C)CC1 1760524010 NBDOGQRJCJSYOI-UHFFFAOYSA-N 495.632 1.495 30 10 JDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@@H](C(F)(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1760528601 HMNKZBKEBNTQTE-KHYOSLBOSA-N 461.485 1.777 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(n2cc(Cl)cn2)CC1 1760529589 CDNZOXIWAHEMLV-KXBFYZLASA-N 463.970 1.996 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1N1CCOCC1 1761362221 ASDATJJCYVOYLQ-FUHWJXTLSA-N 459.576 1.198 30 10 JDEE COCc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cc1 1769348869 HGLUCYVMRMHOJR-APWZRJJASA-N 462.576 1.544 30 10 JDEE CS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1770336639 HINQPWJEMNMUST-LJQANCHMSA-N 475.596 1.390 30 10 JDEE C#C[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(O[C@@H]5O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@H]5O)ccc4[C@@H]3CC[C@@]21C 1848438533 DYBBEZHAELJFKW-ZAGHQWJZSA-N 472.534 1.178 30 10 JDEE CS(=O)(=O)N1CCC(C(=O)N2CCN([C@@H](C#N)c3cccc(Br)c3)CC2)CC1 1857957305 NPZBSNRNZLJPDO-SFHVURJKSA-N 469.405 1.830 30 10 JDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCN(CC)CC)cn1CCc1cnc[nH]1 1870535195 KTJFCHMTANXSFD-UHFFFAOYSA-N 470.618 1.825 30 10 JDEE C#CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CN2CCC(C(N)=O)CC2)cc1=O 1870559715 OJOGFNSLAVKNDL-UHFFFAOYSA-N 453.539 1.818 30 10 JDEE CCOc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1OC 1874338042 MHRRLKSEFFMOTC-GQLBNTDBSA-N 460.560 1.869 30 10 JDEE C=C(Br)CS(=O)(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2054371225 IYWIFXNJASNLLV-GFCCVEGCSA-N 461.400 1.239 30 10 JDEE N#CCCC[C@H](N)C(=O)Nc1c(I)ncnc1I 2057386004 WNYKWKBZTJTLNH-LURJTMIESA-N 471.040 1.645 30 10 JDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1COC[C@H]1NC(=O)OC(C)(C)C 2255832898 TZOPPBIDHABPQV-QWHCGFSZSA-N 453.370 1.773 30 10 JDEE CCc1nc(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267168579 DSTANUAHPRYAPF-CYBMUJFWSA-N 469.413 1.962 30 10 JDEE CC1(CNC(=O)OC(C)(C)C)CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267379788 VKHFIAHKSIGYLD-UHFFFAOYSA-N 467.397 1.916 30 10 JDEE 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C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(F)c(F)c2F)CC1 1286482077 ZLLGXGPEKLUUIB-INIZCTEOSA-N 467.517 1.595 30 10 JDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1286508303 QCJNCQAKIAPGPB-GOSISDBHSA-N 458.613 1.896 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1286788035 OSCIZGWFFQKHPJ-IRXDYDNUSA-N 475.571 1.149 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1286789623 GVIHBARMNCOVHS-HOTGVXAUSA-N 461.567 1.052 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2cccc(C)c2)CC1 1286793507 GVZOYCKDRMNMIY-GMAHTHKFSA-N 468.602 1.935 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(N2CCCCC2=O)CC1 1286818929 TVCZHJBIMAKTQR-UHFFFAOYSA-N 460.604 1.866 30 10 JDEE CN(Cc1ccoc1)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1298420552 AILHRFNFUHTTMN-UHFFFAOYSA-N 471.539 1.898 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1300484489 SOJXMRIKAZYNQD-PKTZIBPZSA-N 496.637 1.800 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccsc1Br 1300631169 MTYJNVSEDZJUKI-CQSZACIVSA-N 488.433 1.943 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)c2ccccc2F)CC1 1300683191 MXVBMNXLYOGKRU-KRWDZBQOSA-N 462.595 1.760 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCCS2(=O)=O)CC1 1300711341 YMVDNGWWROTKSB-LJQANCHMSA-N 492.646 1.130 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1300756222 IZMKYPJZMYOZEB-FQEVSTJZSA-N 466.611 1.795 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2F)CC1 1300871500 CHSAPEXKTXWPBS-AOIWGVFYSA-N 493.609 1.730 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccn1 1300883514 CBVCCWAVDCHWQZ-IHPCNDPISA-N 476.603 1.624 30 10 JDEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)C(=O)C1 1301044188 GJIIPBUCNKNFDE-INIZCTEOSA-N 484.985 1.634 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2csc([C@@H](C)OC)n2)CC1 1301085861 CCIQOHZXHZVWNP-NVXWUHKLSA-N 482.632 1.980 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1301458311 RDLABFPFEUFLHD-LJQANCHMSA-N 489.621 1.517 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1301508997 YFLNOBMCBLCDMM-UHFFFAOYSA-N 458.592 1.274 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(O)cc2)C1 1301558038 SPIJHVXWDNXPKT-PMACEKPBSA-N 477.587 1.341 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1301569351 WSQQIXXBIQQRMS-PMACEKPBSA-N 480.679 1.915 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1301588842 KNPDVLDOFCKGQP-PKOBYXMFSA-N 498.602 1.498 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1303469325 DUWDOYKFBYCVAS-GOSISDBHSA-N 480.616 1.158 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1358897196 VGHUTGCJUANOPE-GDBMZVCRSA-N 470.521 1.991 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358959167 CXFBJYMSOMOPMO-SFHVURJKSA-N 478.018 1.948 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1358960513 GJXIVZHNXOAZGQ-HXUWFJFHSA-N 499.618 1.613 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CC(=O)N1CCN(c2ccccc2)CC1 1358968550 PZNNEQIIQPYZRP-UHFFFAOYSA-N 475.597 1.618 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)C1CC1 1359066043 LTZNMBYCMZPLEC-HSZRJFAPSA-N 470.599 1.714 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1359173377 DRBPEVXQOUCJQX-HKUYNNGSSA-N 454.641 1.648 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1359291970 FYAMLRLKSZOWSI-IBGZPJMESA-N 498.975 1.266 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 1359300274 XWWKDVYHANEBDO-JXFKEZNVSA-N 483.573 1.630 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1359334142 UUKJDTXFNIRRPM-LJQANCHMSA-N 498.613 1.262 30 10 JDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C1 1503872393 HFJZXFKTVMDZEU-KRWDZBQOSA-N 452.515 1.774 30 10 JDEE COCc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)ccc1F 1504636439 AOXWTMAKXPMDGS-YWZLYKJASA-N 451.499 1.956 30 10 JDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OCC(F)(F)F)cc2)CCO1 1505321925 GBLDXHHVRACAGF-HZPDHXFCSA-N 450.421 1.947 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)CC=C)[C@H]1CCS(=O)(=O)C1 1507634922 RGHDQBZCCGRONB-INIZCTEOSA-N 498.577 1.375 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507639560 ZOTYCEAOBXPATG-QZTJIDSGSA-N 452.577 1.200 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCNC(=O)OC(C)(C)C)CC1 1507731427 IJJBKOURPBWNEP-GOSISDBHSA-N 480.635 1.240 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1508071750 FICXWVUBCYUAEY-ROUUACIJSA-N 459.572 1.514 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2)CC1 1508141939 QKHUDVCTZQZEGK-IBGZPJMESA-N 458.588 1.547 30 10 JDEE CCC[C@H](C)C(=O)NCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1514285592 IAJYQOYDEBTJEE-SPEDKVCISA-N 495.650 1.293 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CCCO2)CC1 1516980335 CHRJTZDVSKYWRK-XMMPIXPASA-N 467.574 1.508 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1539201892 CMQIRPCVEDLBEP-KRWDZBQOSA-N 468.514 1.740 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1539212127 SBSGDXVTPJQROQ-LJQANCHMSA-N 485.610 1.887 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(C)n(C)c1=O 1539260860 VRECOLCBDVNQBZ-UHFFFAOYSA-N 467.533 1.803 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CCC1 1539266100 MBXRHMKXKHFCMK-OAQYLSRUSA-N 467.595 1.806 30 10 JDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCN1S(C)(=O)=O 1539347541 WFRDZUXWEQBVQZ-QGZVFWFLSA-N 493.659 1.430 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C1CCCCC1)N(C)C 1539415598 GBIUGRSNDILAJD-PMACEKPBSA-N 451.637 1.777 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1539474053 IGNZVFPJVZMKQP-SSOJOUAXSA-N 483.569 1.468 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CCC[C@@H]1NC(=O)NC1=O 1539548207 HUQKZVHCSLCWAJ-QMHKHESXSA-N 452.515 1.943 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2oc(CC)nc2C)CC1 1539889785 COJRKYAZMIDDEN-SFHVURJKSA-N 464.592 1.921 30 10 JDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1539985677 NIJIMOGXSIAQHE-QGZVFWFLSA-N 460.560 1.802 30 10 JDEE COc1cccc(C(=O)N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1540766979 AVPKCALPMOABBP-MRXNPFEDSA-N 456.524 1.218 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540908773 NOPVMHOYSASXCY-BBWFWOEESA-N 469.608 1.875 30 10 JDEE CN(C)CC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1552854169 IEVDOKNYVSMXNE-SFHVURJKSA-N 475.619 1.512 30 10 JDEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)CC1 1554565268 DWROEKOBYFULLC-UHFFFAOYSA-N 469.546 1.922 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2n[nH]cc2I)ccc1F 1585209919 WYRMZRZTHLVDST-UHFFFAOYSA-N 450.233 1.870 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccccc1S(=O)(=O)N(C)C 1587621051 NLBZXFWDJPEQHX-OAHLLOKOSA-N 470.555 1.762 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC[C@@H]1NC(=O)NC1=O 1587640985 WGAJRHKYFNZONO-JYJNAYRXSA-N 475.550 1.033 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1588041764 ZZWRQHWOSBKGHE-KRWDZBQOSA-N 459.963 1.894 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCN(C(C)=O)CC1 1588229186 RWUMNAZFHARISZ-UHFFFAOYSA-N 489.628 1.079 30 10 JDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1588672216 CENCUYDLBOMQMJ-LJQANCHMSA-N 450.543 1.540 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)c1cccs1 1589216809 XXYIALAXLADHLQ-IIBYNOLFSA-N 492.627 1.095 30 10 JDEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccccc1 1593788885 FAZCEEVFHJMWKR-IBGZPJMESA-N 479.628 1.365 30 10 JDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1594625134 DTJLTUWBQXHMLN-RBUKOAKNSA-N 464.636 1.279 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(C(=O)C(C)C)CC1 1595550914 JMXIJMQPWUGBSL-HXUWFJFHSA-N 468.558 1.788 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1595785184 SSIKIZWMGJRSSU-INIZCTEOSA-N 461.548 1.958 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1595798194 NHBSMFRRRBRTIV-LSDHHAIUSA-N 451.515 1.456 30 10 JDEE CC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1614155739 ARSLLMKIJQQDCI-VGSWGCGISA-N 459.572 1.905 30 10 JDEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(NCc3cc(=O)n(C)c(=O)n3C)C[C@@H]1C)C2=O 1615243665 IJIUUMAOVJYNRX-BSNNYGBQSA-N 489.912 1.351 30 10 JDEE COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@H](NS(=O)(=O)c4ccccc4C#N)CO[C@@H]23)cc1 1616125410 DKZKAGNIIRFQIL-LFGUQSLTSA-N 459.480 1.629 30 10 JDEE C=CCNC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC(=O)N3CCC[C@@H]3CO)[C@H](O)CC[C@@H]2[C@]1(C)CO 1616128601 IZXBXUGCVVZDDQ-XMGUHBHNSA-N 452.592 1.826 30 10 JDEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1([S@@](C)=O)CCC1 1618565513 HCGAOFBHBCRCKR-MWOWJKGTSA-N 458.588 1.848 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2O)ccc1F 1635006212 LHGSQNSZYGXQOY-CHWSQXEVSA-N 450.492 1.784 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ncccc2Cl)CC1 1690143850 DQADEOWHPNGCBS-QGZVFWFLSA-N 471.949 1.322 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC 1690206226 KDVAGBHHBFPFFN-HRAATJIYSA-N 482.607 1.128 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1690288238 NYJSSCFBSOIKCX-UXHICEINSA-N 477.587 1.774 30 10 JDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1690351092 HOKRUUYOJHJXLL-PKOBYXMFSA-N 478.041 1.970 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COCCO1 1690604102 PDYJPSIJCMZGGE-SFTDATJTSA-N 491.614 1.262 30 10 JDEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1693876031 HCWDPINFOUTOSR-AVRWGWEMSA-N 482.585 1.963 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@@H]1C 1705597992 XSAJIMZIAMBXGK-YDIMBITNSA-N 473.574 1.589 30 10 JDEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCCNS(=O)(=O)CC)CC1 1705637953 SFJBZBFQYUBQTI-UHFFFAOYSA-N 469.615 1.521 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2COc3ccccc3O2)CC1 1705644432 QNSISKFGQWJLSI-GOSISDBHSA-N 466.542 1.222 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2nncn2C)CC1 1705644574 VRFHYPPUPRHFKZ-UHFFFAOYSA-N 475.557 1.290 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1705662182 SAJFCHHXYMGUND-SFHVURJKSA-N 471.612 1.140 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)CC1 1705776832 QTIFZGRJQRNJEC-WDSOQIARSA-N 494.641 1.637 30 10 JDEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1705788831 OKDVTFFKTOYGBL-UHFFFAOYSA-N 489.584 1.886 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC1 1705860354 HQMUOPHJEYMXGQ-SFTDATJTSA-N 486.598 1.712 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCC1CC1 1705860356 QBRSPCCPIMELAK-FQEVSTJZSA-N 468.583 1.771 30 10 JDEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705881524 RLSDTAFPTQXHNF-CQSZACIVSA-N 487.424 1.956 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1 1705897388 LOHMPFHXTCMTMA-FSNCLGKMSA-N 480.635 1.365 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705905094 JOWZLHOVZALMNP-NRFANRHFSA-N 467.618 1.396 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1705930334 LCIPPYIIRPUSBE-UXHICEINSA-N 480.679 1.819 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1705937795 FGBSTLYDBCLKIR-VGSWGCGISA-N 480.562 1.981 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)[C@H](C)C1 1705998021 SSQFRJDATMCGHF-GOSISDBHSA-N 467.574 1.948 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCOCC2)CCCCC1 1706069579 FTZROXLTPWNNEK-QZTJIDSGSA-N 467.640 1.519 30 10 JDEE CNC(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1711403675 BXDOXLRWNLBORK-UHFFFAOYSA-N 460.542 1.607 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCNC(=O)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1722359772 AWENBROIDNZRCS-LJQANCHMSA-N 466.567 1.638 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1722362256 MWLHFQARLJAQOL-PCCBWWKXSA-N 469.567 1.495 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCN(CC)C2)CC1 1722440189 AJHGMZUJWCTPPW-GOSISDBHSA-N 457.623 1.504 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)CC1 1722441429 KCMJVPPVWITQBR-UHFFFAOYSA-N 463.586 1.595 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)CCC(C)C)CC1 1722442114 YDEYFJMDWALAOE-XMMPIXPASA-N 458.607 1.667 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1722491883 OSDJMLGHSTUHKE-KURKYZTESA-N 498.650 1.927 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1722523377 QLAZDBBVJOYSOP-IBGZPJMESA-N 474.587 1.150 30 10 JDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1722525278 ZQBBKNUHKJSAHH-UHFFFAOYSA-N 459.620 1.836 30 10 JDEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1722532991 CLXDNPZRSYSIBM-QZTJIDSGSA-N 462.551 1.908 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CNC(=O)C2)C1)C(C)C 1722664572 CLZASNFEKNZSGX-ROKPMTFOSA-N 490.674 1.595 30 10 JDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722685686 JXORAJSCWUDLTB-SFHVURJKSA-N 474.635 1.746 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1722694059 KJAVDJKIKGHVNR-HNNXBMFYSA-N 458.544 1.994 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1722725975 VUXFODVPECUWBD-UHFFFAOYSA-N 497.666 1.427 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2csc(C)n2)CC1 1722727321 HODBXIOJRLVAFE-SFHVURJKSA-N 480.660 1.860 30 10 JDEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(C(N)=O)CCOCC1 1724002244 HYFFIKCFOIAQRI-CVEARBPZSA-N 458.494 1.568 30 10 JDEE CCN1CCN([C@@H]2CCN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)N(C)CC)C2)CC1 1728628505 FLRIBXBJFXHAHU-OAQYLSRUSA-N 480.617 1.423 30 10 JDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1729616250 DBPUKJSEXWLFGQ-UHFFFAOYSA-N 479.585 1.950 30 10 JDEE CS[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N)C(C)(C)C 1731053199 FTOIJLFMPBWHDI-BZUAXINKSA-N 458.654 1.985 30 10 JDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1740587200 AZCZMJXMCNFBNW-PMACEKPBSA-N 450.591 1.965 30 10 JDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1740598373 OBTUMANQGMFXCF-UFYCRDLUSA-N 481.619 1.046 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCc2ccccc21 1740608530 BWSUZXCODSETGH-FXAWDEMLSA-N 458.588 1.132 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1740628066 VJITWJWCKQXEPT-RTBURBONSA-N 492.623 1.058 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC(=O)N(CCOC)C1 1740639648 WNECFYSLZSXTFO-NHCUHLMSSA-N 498.628 1.960 30 10 JDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCO[C@@H](C)C1 1740684430 RBNXIIUCOIQHKV-SFHVURJKSA-N 458.563 1.593 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1740715846 GNBCVCAYEOYRNR-LJQANCHMSA-N 482.610 1.957 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccs1 1740717723 ZMGDLIJPRIPJPZ-INIZCTEOSA-N 455.631 1.675 30 10 JDEE C#CCSCCn1c(COCC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1740722316 GQCUTHSPVLNKAR-UHFFFAOYSA-N 462.620 1.121 30 10 JDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740790032 OEBAJRXMWKDJDP-UHFFFAOYSA-N 470.574 1.913 30 10 JDEE C=CCCCn1c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740881491 ISCFAEAYGXTWGT-VGOFRKELSA-N 458.567 1.817 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1740899045 DQUMIWNAIQCXLI-CEXWTWQISA-N 468.668 1.990 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](CN2CCOCC2)C1 1740960829 CPWXRVOKGJRACR-QGZVFWFLSA-N 460.529 1.608 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(N(C)C)CCCCC2)C1 1740973056 QKXQVXHYPFKIHY-ZWKOTPCHSA-N 454.641 1.934 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1740992499 QZJQJFQZPIUNGY-UHFFFAOYSA-N 495.671 1.897 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1741015636 BWWUQZSVKFZOLD-GOSISDBHSA-N 459.576 1.061 30 10 JDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1747447362 BEWUVFCKMCABHR-PMACEKPBSA-N 490.586 1.052 30 10 JDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1748744682 FVUIGPLDVQCRRD-UHFFFAOYSA-N 463.542 1.383 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCN1CCN(Cc2ccccc2)CC1 1748875129 KIHGITJROXJVAU-UHFFFAOYSA-N 473.625 1.795 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCn2cc(Br)cn2)CC1 1748971009 ABOKYGTUXYDSAS-UHFFFAOYSA-N 463.384 1.221 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN2CCOC[C@@H]2C)CC1 1749005924 BCTOHEBRYDEEHE-IBGZPJMESA-N 466.586 1.640 30 10 JDEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)CC1)c1ccccc1 1749382295 LJGNFNAKDMVCAI-SJLPKXTDSA-N 451.618 1.817 30 10 JDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1749608126 NYNIIBYIUICAER-UHFFFAOYSA-N 467.621 1.251 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 1749650403 VSMYHKHSEAQQGR-GOSISDBHSA-N 490.511 1.996 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1749680293 HUHMTEPMUGKUTB-IBGZPJMESA-N 485.564 1.881 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(SC)CCOCC2)C1 1749711514 ADMKASFKAJYLPF-DLBZAZTESA-N 456.634 1.874 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1749738371 KUDHJWIWJCCIHD-JKSUJKDBSA-N 492.627 1.118 30 10 JDEE CC(C)Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC1(O)CCS(=O)(=O)CC1 1750749955 FMIBTCMPRJQALT-UHFFFAOYSA-N 490.605 1.754 30 10 JDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](C(=O)NC)C1 1760146342 JWLSGFCAOVJCCJ-QGZVFWFLSA-N 457.604 1.922 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CC[C@@H](N1CCOCC1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1760187043 SUSRKEFAXDQUSK-ZWKOTPCHSA-N 491.580 1.757 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1760187889 YPMAJWNZGVAYTP-PZJWPPBQSA-N 490.651 1.629 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCOC1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1760187899 LRLQMPDMFCYXKX-PKOBYXMFSA-N 463.604 1.595 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1760192240 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1760525215 XVUSMZRSKBNKRW-UHFFFAOYSA-N 452.490 1.866 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C2CC2)CCO1 1760673527 HABKCZIRYBSWMT-VGSWGCGISA-N 467.574 1.553 30 10 JDEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1CCN(C(=O)c2cccc(C#N)c2)CC1 1858620403 SFKYQEWGEDIOEP-UHFFFAOYSA-N 468.535 1.840 30 10 JDEE COc1cc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCNC=O)cc(OC)c1O 1862600214 KZAHAKXHNXLUPW-LJQANCHMSA-N 456.451 1.829 30 10 JDEE C=CCN(CC=C)C(=O)[C@@](C)(CC)NC(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 1868642074 KPONCEDGSBFHOB-SIKLNZKXSA-N 482.624 1.747 30 10 JDEE C#CCOc1cn(CCNC(C)=O)c(CNc2ccc(C(=O)NCCN(CC)CC)cc2)cc1=O 1871011014 VZBXBHOGSYXEBZ-UHFFFAOYSA-N 481.597 1.680 30 10 JDEE CN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)CC2)CC1 1889466291 RUIGYAVECUCDRL-HXUWFJFHSA-N 473.017 1.951 30 10 JDEE CC1(C)OB(c2nccnc2C(=O)N[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C2)OC1(C)C 2248056746 RZQDEVQLOSIYAT-CALCHBBNSA-N 452.320 1.963 30 10 JDEE CC(C)(C)OC(=O)N1CCSC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255616522 OZHJOTCCXYDBQW-CYBMUJFWSA-N 452.386 1.791 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267143059 CGEQFLUWUNNBJE-AWEZNQCLSA-N 450.345 1.322 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H]2OCCN(C(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2267168737 FFMGAOIUJODVDX-ZIAGYGMSSA-N 465.381 1.903 30 10 JDEE Cc1cc(S(=O)(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2267355942 IYYRURKLDXJORS-OAHLLOKOSA-N 470.397 1.458 30 10 JDEE C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2267465488 OTEDHAWJRKYMDG-HIFRSBDPSA-N 470.401 1.253 30 10 JDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2267465714 QUCAGMLBCLIUAY-AWEZNQCLSA-N 488.437 1.650 30 10 JDEE CN(Cc1ccccc1)CC(C)(C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267716566 OYBUIQFPTRZIKI-UHFFFAOYSA-N 462.425 1.908 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2268604724 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CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)[C@H](C#N)C1 2282493380 TUSAOAQXQBAANV-CQSZACIVSA-N 498.436 1.717 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCC2(CNC(=O)OC(C)(C)C)CC2)n1 2282497929 WVDPKQLBJOXEHI-UHFFFAOYSA-N 484.428 1.693 30 10 JDEE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)COC1 2282503378 ZEFKJAQDPKSDST-UHFFFAOYSA-N 482.408 1.699 30 10 JDEE Cn1cc(C(=O)NC[C@@H]2[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282547094 PGLOXTGLTVQRMB-BZUAXINKSA-N 460.384 1.952 30 10 JDEE Cc1c(C(=O)N2C[C@@H](C)C[C@@H](NC(=O)C(F)(F)F)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554087 YIPLHZVOBZUFMB-WCQYABFASA-N 458.290 1.557 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2C[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)n1 2282622943 BGQBTDMKDUGUFH-RRFJBIMHSA-N 461.372 1.632 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1C[C@@]2(NC(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2282673125 RBRSRTSTZQTYMG-KXNSMUHISA-N 459.352 1.935 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC(C)(NC(=O)OC(C)(C)C)CC1 2282849892 IHPDVJVRLUBUPX-UHFFFAOYSA-N 484.428 1.787 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCOC[C@@H]1CNC(=O)OC(C)(C)C 2337192747 PFTPWQOMYLWEIG-AWEZNQCLSA-N 450.345 1.085 30 10 JDEE C[C@@H]1Oc2ccccc2N(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O 18039295 LSHJNSYAYUJSMI-KRWDZBQOSA-N 468.535 1.595 30 10 JDEE N#C[C@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1 72444310 GKQUFYIGUFCXQN-CABCVRRESA-N 452.427 1.245 30 10 JDEE CC1(C)OB(c2cnc(SCCC[C@H]3CCCCN3C(=O)[C@@H](O)CO)nc2)OC1(C)C 204891177 PJRIQVVDBWSOEU-SJORKVTESA-N 451.398 1.382 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC2CCN(S(=O)(=O)CC)CC2)cc1 1214686874 JGOWVUXKGGYOGC-UHFFFAOYSA-N 458.606 1.676 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCN(C(C)=O)CC1 1286273137 GULWRHDADFWZPQ-QGZVFWFLSA-N 471.993 1.484 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(F)cc(F)c1 1286349294 HJAWPGOMGKOGOS-SFHVURJKSA-N 453.515 1.939 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2ccsc2)CC1 1286353626 YPSMKPQLWSTSOQ-IBGZPJMESA-N 478.644 1.408 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1286384783 RZQMFPSVCMBUJN-PGRDOPGGSA-N 466.604 1.251 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1286486210 JIDJSPVRBNGULP-BXKMTCNYSA-N 465.558 1.442 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@]1(O)CCS(=O)(=O)C1 1286528483 CFOFJVMAZQTDGT-DHIUTWEWSA-N 458.584 1.961 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1286592401 CPHUBCWQICVUEH-CYBMUJFWSA-N 475.497 1.423 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286604522 LXWGFDIMKZZDRV-LJQANCHMSA-N 482.628 1.955 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1286701206 WQPDPCVNJCYAHS-LJQANCHMSA-N 476.603 1.961 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1N(C)CCCC1(C)C 1286758838 WLILBHPFRIEGHD-RBUKOAKNSA-N 466.652 1.910 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1COCCO1 1286767921 KODXXWBEJFYVOR-KRWDZBQOSA-N 454.531 1.729 30 10 JDEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286769786 RQQPEYYEIFDOLN-HSZRJFAPSA-N 470.530 1.971 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1286776420 YEILIAYBJAKLCY-SFHVURJKSA-N 478.575 1.097 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1286788838 HPUKLYCWLOAKKB-GOSISDBHSA-N 453.591 1.943 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1286816356 HUCWOFVHUNIJFC-NRFANRHFSA-N 456.528 1.448 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCOC1 1286831565 IJTSIFSBTFEPDG-IRXDYDNUSA-N 459.638 1.393 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)N1CCOCC1 1286959429 GSATVWCQMKMRLL-MRXNPFEDSA-N 473.965 1.706 30 10 JDEE CCCNC(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1294849728 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C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1301584530 BNXXPAKMGUNSBE-DLBZAZTESA-N 496.634 1.523 30 10 JDEE CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)N(C)C)C[C@H]2C)CC1 1301708243 KDPWBLCMCFBMNX-GCJKJVERSA-N 478.601 1.284 30 10 JDEE CCOCc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)cc1 1314290072 BYALGTLVTMBUKL-FXAWDEMLSA-N 476.603 1.792 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCNS(C)(=O)=O)c1 1358901753 VSFSYIYEEPMZSS-UHFFFAOYSA-N 487.973 1.599 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1358913104 FVXJFNHPNWSYKX-MSOLQXFVSA-N 482.607 1.129 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1358956026 YQZUEYAYNAYMGW-NVXWUHKLSA-N 453.634 1.576 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(C(OC)OC)c1)[C@H]1CCS(=O)(=O)C1 1358960638 IUGJXNJYZWGANM-IBGZPJMESA-N 482.566 1.702 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H](C)N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1358965032 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C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1359328178 WGDVFYLNMXCONY-CVEARBPZSA-N 465.551 1.860 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)OC[C@H]2C1 1359329673 QMAZKJGTMBCXJN-CQSZACIVSA-N 469.926 1.979 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C(=O)OC)cc(S(C)(=O)=O)c2)c1 1446146911 CPQDDXPHJSUXKO-UHFFFAOYSA-N 452.510 1.593 30 10 JDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(OC)c(Br)cc1OC 1474862992 KGVXVKQCUPDZRX-LLVKDONJSA-N 454.364 1.830 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507621997 ADFJSGZIMLJLHP-IAGOWNOFSA-N 478.644 1.407 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(OCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1507623544 YTVVFQGFUKYMIV-SFHVURJKSA-N 463.604 1.490 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507630503 ALCPWUSEVOLCHZ-XXBNENTESA-N 466.567 1.660 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1CCCCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1507634585 ZIHBJOGEXKYWMX-SFHVURJKSA-N 456.634 1.777 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1507637271 AJICLPHYCXYTAK-NOVUIFNWSA-N 468.576 1.392 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507638077 DIDCRQCRSCWGBY-LJQANCHMSA-N 460.604 1.462 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1507662209 FSIZXDSKNPGQPB-GOSISDBHSA-N 450.499 1.811 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCOCC)CC1 1507738874 GNOSVOHVJBZJKB-UHFFFAOYSA-N 480.617 1.845 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)C(C)(C)C)CC1 1507740411 MDJZWKRFPBFBLR-UHFFFAOYSA-N 468.606 1.268 30 10 JDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1507774780 BXMQPKMNDRVEPE-CABCVRRESA-N 499.439 1.692 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1507832341 YWUSJMIYDDYUMW-ROUUACIJSA-N 468.624 1.320 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1507838989 NRIOBMAMIBGBNH-XLIONFOSSA-N 473.599 1.904 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2conc2COC)CC1 1507902490 KFAVYSTZTGWFOL-GOSISDBHSA-N 466.564 1.196 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1508079999 GZPWCWCTHQDAGO-QGZVFWFLSA-N 463.546 1.539 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNC(=O)c2cccc(O)c2)C1 1508122694 KFMXZKFMHYWCBS-MOPGFXCFSA-N 454.531 1.536 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1508143216 FUKNZASALGFEOH-GOSISDBHSA-N 461.588 1.639 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCC(=O)N(C)C 1509692946 HMRJNDOIZZXGNF-IBGZPJMESA-N 453.547 1.734 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)CC1 1538195562 LVMYUMLKUBLJKS-UHFFFAOYSA-N 456.362 1.058 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1539203015 MTVPBHMDKCEVDH-QGZVFWFLSA-N 451.593 1.895 30 10 JDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539520108 NNNFDSZITIFIBZ-JOCHJYFZSA-N 453.572 1.445 30 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468.558 1.598 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccs2)CC1 1595755083 SHRAROUWVJYQGG-UHFFFAOYSA-N 464.617 1.503 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1595821446 BSBVJEIMRCZZBC-SFHVURJKSA-N 491.614 1.950 30 10 JDEE C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)CC1 1596856845 CHCOIDRYBVHUTB-SFHVURJKSA-N 481.601 1.679 30 10 JDEE C=CCN1CCN(C(=O)[C@H]2C[C@H](O)CN2C2CCN(C(=O)c3cccc(OC)c3)CC2)CC1 1614605266 YXVWOPYIBRKYLB-JTHBVZDNSA-N 456.587 1.065 30 10 JDEE C[C@H](NC(=O)[C@H](C)N1CCN([C@@H](C#N)c2ccccc2)CC1)c1ccc(S(N)(=O)=O)cc1 1652763784 HKCKWIRCTOXXIB-SPEDKVCISA-N 455.584 1.782 30 10 JDEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1663717214 DXZJWXOSQDXQRH-WBVHZDCISA-N 455.585 1.666 30 10 JDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(Sc3ccccc3)c2)CC1 1663864567 YUJDZGQZZMVHLG-UHFFFAOYSA-N 451.595 1.612 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1689983493 CHTLJKINCSCQMY-LJQANCHMSA-N 487.607 1.411 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)cc1OC 1690103449 CSVDRJUDMAMANF-MRXNPFEDSA-N 452.964 1.977 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1690135378 VICNQXDYJMTFRX-VAMGGRTRSA-N 478.663 1.376 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1690169515 FJJMHVGYYJDZEY-TZIWHRDSSA-N 484.674 1.862 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1690174657 HPMWBXUPOGPRKI-DLBZAZTESA-N 467.661 1.678 30 10 JDEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1690303154 SVPSONXIWHEKIC-UHFFFAOYSA-N 484.601 1.527 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1690485137 MFZUBRCIANIXJR-ICSRJNTNSA-N 466.652 1.888 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CCCO2)CC1 1690508820 QGBMVQCQBLLUBF-WOJBJXKFSA-N 483.635 1.599 30 10 JDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1690520354 SQMMMOOPRVXHFQ-KRWDZBQOSA-N 463.468 1.806 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc1 1690678254 PQTPLUWUKITYFH-VWLOTQADSA-N 495.584 1.844 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1690724052 GYWRUFDKHVDTPW-KRWDZBQOSA-N 469.608 1.830 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1690726931 QVZMYKPWHYXKMU-FOIQADDNSA-N 467.617 1.619 30 10 JDEE CC(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1691591822 HKOUXBLFNWCTQC-BBWFWOEESA-N 482.607 1.458 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCC1(O)CCC1 1692536846 BGEOBZDCTYZHJE-UHFFFAOYSA-N 451.575 1.915 30 10 JDEE CC(C)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1692569852 AMGUBBHBRHHBRJ-DEOSSOPVSA-N 453.591 1.762 30 10 JDEE CCCN1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 1695363655 GYUCWAPCAOOVII-QFIPXVFZSA-N 494.644 1.671 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(CS(C)(=O)=O)CC1 1705481219 BNIABXZXFQIBIJ-INIZCTEOSA-N 479.628 1.478 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1705492091 LNHCZNIWPLSVDT-ZIAGYGMSSA-N 461.535 1.798 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1705560749 KCCZNVRQJWEYKZ-PXNSSMCTSA-N 482.994 1.107 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1705564667 DNDSUFBFIPJVEN-MDYRTPRTSA-N 450.586 1.378 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(NC(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 1705567326 WQJTYUROKNANCW-SFHVURJKSA-N 481.538 1.588 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(I)cc1 1705582609 FJROHPIDCAEJAW-MRXNPFEDSA-N 494.358 1.906 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ncccn2)CC1 1705791960 JFXWNLQOVFNBKX-GOSISDBHSA-N 490.634 1.330 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1S(C)(=O)=O 1705862019 WHJHOSSLBUDYHE-MOPGFXCFSA-N 458.588 1.846 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1705914848 QTMNSTSEDXWZBX-SFHVURJKSA-N 474.587 1.186 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)N4CCCC4)n3CCCN(C)C(C)C)CC2)c1C#N 1707807557 DTKANYVHEIJJHY-UHFFFAOYSA-N 482.637 1.485 30 10 JDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCSCC2)C1 1712690260 GGIPCHKDZXOEEN-FQEVSTJZSA-N 490.655 1.791 30 10 JDEE CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccccn2)CC1 1712702690 AQCJNCPFSUALEE-UHFFFAOYSA-N 451.556 1.926 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1722332420 KSSIFRSLRDBHFC-BRWVUGGUSA-N 451.593 1.943 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1C1CCCCC1 1722352345 OGMXRLTYMUYLEZ-PMACEKPBSA-N 464.636 1.478 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H](C)N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1722362001 LPYRQHFDSKDZTB-FGZHOGPDSA-N 484.670 1.906 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722462717 RDXXPXHRXKDTKN-UHFFFAOYSA-N 496.684 1.496 30 10 JDEE C=C(Br)Cn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@@]1(OCC)CCOC1 1722490136 XFTJTKZBHFPMNL-QMTMVMCOSA-N 454.369 1.896 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCS(=O)(=O)C1 1722676066 YIVBKBAVBUQKFG-QHCPKHFHSA-N 473.599 1.185 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1722722998 UIMCJHCDGPYCCY-WIYYLYMNSA-N 466.535 1.327 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1722730010 FKNHFIIUTKJFIE-NRFANRHFSA-N 491.662 1.289 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCCO[C@@H](C)C1 1722730306 OIKKUIVDZIYNGH-HNNXBMFYSA-N 453.590 1.486 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1722749156 FGOFPHRPBKXDMX-ROUUACIJSA-N 495.671 1.868 30 10 JDEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(N(C)C)CCOCC1 1723785446 GZORLMOGELYQSE-KRWDZBQOSA-N 455.563 1.540 30 10 JDEE C[C@H]1CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)C[C@H](C)O1 1726732413 DRJWMLPSKDWSJC-ROUUACIJSA-N 460.604 1.797 30 10 JDEE CCN(C)C(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@](F)(C#N)C1 1728255286 DYYCCJCTEMTYDX-FQEVSTJZSA-N 462.555 1.467 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740583116 VMKZMWSNGTUTDO-QHCPKHFHSA-N 484.582 1.577 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 1740615931 OBSQQCWYFHDRBA-ICSRJNTNSA-N 498.609 1.096 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1CCS(=O)(=O)CC1CC1)[C@H]1CCS(=O)(=O)C1 1740623678 ZFCIVOGHILVRFX-SFHVURJKSA-N 454.618 1.387 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCS(=O)(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740625963 JKLLBKCRLHIQPK-DLBZAZTESA-N 472.633 1.360 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCN(C(C)=O)C1 1740636867 GUXBBRUPXYLQSK-LJQANCHMSA-N 467.599 1.570 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1Cc1nnnn1CC1CC1 1740646640 HCBIXJKKRQIOAH-UHFFFAOYSA-N 468.363 1.954 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOCc1ccccc1 1740655983 HILGQYZUYNBNQY-OAQYLSRUSA-N 471.583 1.291 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1740695922 HKVOEQPQWXSXTE-RTBURBONSA-N 470.540 1.581 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1740700979 POHVXXBODFQXNY-XDHUDOTRSA-N 467.574 1.688 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1740717386 RAKYHGFJBKJUIW-SFTDATJTSA-N 489.667 1.402 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1740795597 YXCAQDATUTXKRI-NEWSRXKRSA-N 469.608 1.207 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1740899594 ODYQLDKPHJXFMO-APWZRJJASA-N 489.520 1.683 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCC3)nc2)C1 1740973380 WVBDZYAKUAGOCK-HKUYNNGSSA-N 475.619 1.713 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)N2CCSCC2)C1 1740977204 SHQHQDXOVIADQA-GOSISDBHSA-N 464.617 1.500 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1740989001 WTZHKPVMWJEWBZ-MRXNPFEDSA-N 482.584 1.288 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740992763 NHRVJBFIONHPMZ-UHFFFAOYSA-N 490.605 1.947 30 10 JDEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CC1 1741088136 CYTXMRKOIBIAKG-UHFFFAOYSA-N 453.547 1.606 30 10 JDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H](C(F)(F)F)O1 1743253980 GDLOHYAHGXSRNM-PBHICJAKSA-N 499.515 1.912 30 10 JDEE C#CCCCCn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1[C@]1(OCC)CCOC1 1748731118 UVIRBTZWMDTLIB-DEOSSOPVSA-N 467.574 1.554 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1748802251 OFOUPKULBAJLSD-SFHVURJKSA-N 457.556 1.089 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(C(=O)NCC)c1)[C@H]1CCS(=O)(=O)C1 1748824532 PYMCXDDYFYEDJE-VQTJNVASSA-N 471.583 1.554 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1Cc1ccccc1 1748847536 UXSSDKPGNARMFU-FGZHOGPDSA-N 451.596 1.918 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1749108963 AAEYDZLJSTYTDK-OAHLLOKOSA-N 490.424 1.339 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1749457327 JTAZGCNMQJAXED-HNNXBMFYSA-N 458.544 1.308 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1749678140 XFCVONYGVBNALY-UHFFFAOYSA-N 490.568 1.958 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(=O)N(C)C)c1 1751094057 CNXQMOSFWZPDET-FUHWJXTLSA-N 474.587 1.434 30 10 JDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)CC2CC2)cc1C 1751544164 CROGIJUUTFSRJA-IBGZPJMESA-N 472.571 1.701 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1760181153 QLCSXGXTALDSRD-NVXWUHKLSA-N 450.536 1.955 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1760188692 LRRBVKHDEFMBQN-GOSISDBHSA-N 469.567 1.998 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](OC)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1760191476 IHJMEFPACRJSSB-BZSNNMDCSA-N 451.593 1.088 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1760196809 YVHRVSSVVZJSKF-UHFFFAOYSA-N 463.563 1.814 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1760247596 HUKWZKVKSKDLSH-UHFFFAOYSA-N 493.568 1.043 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCN2CCC[C@H]2CO)CC1 1760256816 UHKQIEVCEYXPKV-FQEVSTJZSA-N 458.010 1.986 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2csc(C)n2)CC1 1760265897 LOIWGQCQTDZZCI-HSZRJFAPSA-N 472.615 1.904 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(O)CCSC2)CC1 1760271005 IEWLNVKBWMIDOA-HSZRJFAPSA-N 473.574 1.830 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1760389453 KRMLWZHUCBETLL-QYZOEREBSA-N 451.593 1.749 30 10 JDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1760515750 YYOFSEJCLBZGCO-UNMCSNQZSA-N 460.623 1.959 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](CNC(C)=O)C2)cc1 1760529610 CVUHBPXLRAQZLT-OAQYLSRUSA-N 468.558 1.469 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCCCC2=O)C1 1760541832 AGAZELQBOPRCLS-RTBURBONSA-N 465.620 1.754 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)CC1 1760558463 PPJPVOYLTAYRBG-SFHVURJKSA-N 496.634 1.619 30 10 JDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1760653917 HYGAFXMYDHEVPF-IBGZPJMESA-N 471.587 1.205 30 10 JDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1766244785 BYLWJPZOVRVHBC-UHFFFAOYSA-N 492.628 1.914 30 10 JDEE CN(C)C(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1768446552 BVMWXHZSQQFQAJ-GOSISDBHSA-N 456.572 1.699 30 10 JDEE CN(C)CCOc1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1768511792 BNTUNCGXIYIZPR-CTNGQTDRSA-N 488.614 1.092 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCCO2)c1 1768522285 GTPRATPCIMRFQH-QZTJIDSGSA-N 460.560 1.493 30 10 JDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)COc2ccc(OCC)cc2)cc1 1859010993 KQDJWVQWCKPSTB-UHFFFAOYSA-N 460.508 1.871 30 10 JDEE COc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1O 1862558773 ZDCSJFMUGXBWEQ-OAQYLSRUSA-N 453.495 1.894 30 10 JDEE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1/C=N/n1c(S)nnc(CCC(=O)O)c1=O 1873498200 VHWMXIZMBMGLDK-DNTJNYDQSA-N 461.456 1.112 30 10 JDEE CCCc1nnc(SCC(N)=O)n1/N=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1874506705 QLHKCPVKKFEZSH-OEAKJJBVSA-N 462.576 1.410 30 10 JDEE CCCn1c(C(=O)N2CCC(CN(C)c3ncccc3C#N)CC2)cc2c(=O)n(C)c(=O)n(C)c21 1891178601 FGXCBBOWIXWABP-UHFFFAOYSA-N 477.569 1.704 30 10 JDEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2180983362 PESGNYMOYDOIHA-UHFFFAOYSA-N 462.356 1.866 30 10 JDEE CN(CCN(C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OCc1ccccc1 2247921756 VBZWBYGUIAWMQW-UHFFFAOYSA-N 457.340 1.455 30 10 JDEE C[C@H](C[S@](C)(=O)=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)NC(=O)OC(C)(C)C 2255658756 ILNSHQYVIBNRIH-VEWZGRNOSA-N 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30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](NC(=O)OC(C)(C)C)CCc3ccccc32)C1=O 1278543163 FXLYBCOUHDQFCO-MRXNPFEDSA-N 456.499 1.836 30 10 JDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1286349097 SNVYHUCFSARTLV-UHFFFAOYSA-N 455.544 1.479 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1286389203 ZAOIBGLACUFNGB-REWPJTCUSA-N 484.651 1.881 30 10 JDEE C#CCN(c1nnc(COCC)n1CCCN1CCCCCC1=O)[C@H]1CCS(=O)(=O)C1 1286393724 GDYQLULAGRYQGF-SFHVURJKSA-N 451.593 1.234 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286394762 PHJOGLBXTOORJV-ZCNNSNEGSA-N 463.648 1.919 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CCS(C)(=O)=O)CC1 1286472532 UJLUOORHMSVHGG-GOSISDBHSA-N 461.588 1.617 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@]2(C)COCCO2)CC1 1286492435 LHYGWNWKMABTTR-DEOSSOPVSA-N 471.533 1.768 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCN(C)c2ccccc2)CC1 1286492612 NNCMHKCFCHJQMG-UHFFFAOYSA-N 463.586 1.503 30 10 JDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1286548487 OKSHZRGKYKNRHK-XGUBFFRZSA-N 456.341 1.845 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(C)(=O)=O)CC1 1286668791 UYRISGGHAQHTPR-AWEZNQCLSA-N 462.642 1.009 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1286789471 GWJIWQZRBWJCIU-CVEARBPZSA-N 458.588 1.910 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCN(C(C)=O)CC1 1286818686 MJSCFEVNYGUEBI-UHFFFAOYSA-N 483.598 1.790 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1300479128 JAKBTFMYERFRMR-GOSISDBHSA-N 463.604 1.348 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1300483350 KVYYJKZVYAJUBS-OZIGNCPNSA-N 450.605 1.993 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1300500722 CMIUZMMIFDFOTD-IBGZPJMESA-N 471.608 1.787 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1CC1(O)CCS(=O)(=O)CC1 1300520693 MWYCKSLARDYDRS-UHFFFAOYSA-N 450.923 1.750 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccc(Cl)cn2)CC1 1300723097 PXSDIRFQWUWTQP-KRWDZBQOSA-N 471.949 1.322 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1300723593 XGKBOSBTIFGMMJ-NRFANRHFSA-N 492.672 1.888 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1300731416 FLZVHXVGOATSKR-MBDNFAEBSA-N 471.602 1.949 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](COC(C)C)C1 1301152223 WQPOADVFTKVTAX-MOPGFXCFSA-N 485.651 1.844 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1301520438 HAAOAMBCCUFYNY-IRXDYDNUSA-N 488.593 1.208 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1301585887 CXJJSYXANIUERQ-UHFFFAOYSA-N 471.587 1.483 30 10 JDEE C[S@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)CC1 1302508007 FSYRQIMMMYOEOM-XIFFEERXSA-N 472.571 1.111 30 10 JDEE CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)c1=O 1313847209 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1539481849 OUAIGKMWIIAPRV-RUZDIDTESA-N 480.617 1.579 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1540861935 MDMUWDNFILUYJR-UHFFFAOYSA-N 491.556 1.036 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1540866549 RIWWMHQKWATZPG-HNNXBMFYSA-N 496.490 1.769 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1540897740 QSZVDQVDYYCHRU-OAHLLOKOSA-N 478.541 1.188 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@@H](C3CC3)C2)nnc1[C@]1(OCC)CCOC1 1540908630 KKBPVCDDJLRUED-CDXJDZJCSA-N 454.593 1.535 30 10 JDEE CC1(C)COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1541996307 FZMNKZOTINWCHX-DEOSSOPVSA-N 467.574 1.541 30 10 JDEE C#CCNC(=O)C1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 1559785236 RVVDXIJZESRHHU-IBGZPJMESA-N 451.571 1.817 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C)cc1 1567461188 QQVPWKXGPKNYII-OAHLLOKOSA-N 453.561 1.459 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCC(C)CC1 1587638696 GZCRWIJAYISIOR-RBUKOAKNSA-N 452.625 1.191 30 10 JDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(NC(=O)COC)CC1 1587847748 RFUWSIJWPLCOCO-UHFFFAOYSA-N 463.542 1.337 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(Cl)c1 1587990412 WSCUKGNHMFCCMO-KRWDZBQOSA-N 453.952 1.391 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1588140055 SPHVNMVEZNCTRJ-XLIONFOSSA-N 455.540 1.145 30 10 JDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1589007364 MFEQXDVBTKWMID-UHFFFAOYSA-N 479.610 1.164 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1595496792 HRCWELCEKXHOCT-SFHVURJKSA-N 473.484 1.951 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1595593326 AHRKZAUEFSWLCJ-UZUQRXQVSA-N 457.531 1.552 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1nncn1C 1595772564 CJKJUWRXDIGIDY-SFHVURJKSA-N 452.544 1.888 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1595788648 FJEWEFTUZHZXAC-MRXNPFEDSA-N 469.571 1.872 30 10 JDEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)CC1 1615334975 FMEWHJBQNKHMJU-UHFFFAOYSA-N 492.588 1.575 30 10 JDEE C=CCc1ccc(OCC(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)c(OC)c1 1627424072 LDIFAVBRXQUFSK-PSCUFVCCSA-N 451.541 1.818 30 10 JDEE C#CCNS(=O)(=O)N1CCN(Cc2cc(Br)cc(Br)c2)CC1 1659906431 CCMVRUZLDUEUIN-UHFFFAOYSA-N 451.184 1.797 30 10 JDEE Cc1ccc([C@H](CN2CCOCC2)NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 1676799236 FVNIRLIJVMDPFN-QFIPXVFZSA-N 451.575 1.814 30 10 JDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1689875674 ZHNLKXQNTOKREL-UHFFFAOYSA-N 478.601 1.863 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1689988781 WGJSWUYOJMVZLA-RBUKOAKNSA-N 459.572 1.471 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCC(F)(F)F 1690042833 DXPYETZQFZDTSG-UHFFFAOYSA-N 481.504 1.380 30 10 JDEE 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C=C(C)COCCn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705734213 HJZQMTSDWSCFOQ-KNQAVFIVSA-N 455.607 1.865 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1705903605 YTSJDHXEIXFPDL-OAHLLOKOSA-N 458.485 1.717 30 10 JDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(N)=O)C1 1705942200 KDCQLWIAVYVERH-KRWDZBQOSA-N 478.644 1.816 30 10 JDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CCOC1 1710482552 HAIISDGFIWOPCL-DRSNIGMVSA-N 464.567 1.820 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cc(OC)ccc2Br)nnc1N(C)C[C@@H](C)C#N 1711417689 BNTDLYPVSISMHB-LBPRGKRZSA-N 471.381 1.861 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1722364578 IBTIDOOSBFXNCG-LJQANCHMSA-N 456.547 1.922 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(S(C)(=O)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1722364721 IYHSJRJPWNHEDU-IBGZPJMESA-N 491.639 1.248 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CN(CC)CC)c1)[C@@H]1CCS(=O)(=O)C1 1722369335 XXVBIWIYGBVQQY-FGZHOGPDSA-N 498.653 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30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(Cc3cccs3)CC2)nnc1[C@]1(OCC)CCOC1 1740966121 WCPQFJATTNGECN-QFIPXVFZSA-N 460.604 1.616 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cccs2)CC1 1740991928 IOKHAYMXBHPJER-QGZVFWFLSA-N 451.618 1.767 30 10 JDEE CO[C@@]1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cc3F)CC2)CCOC1 1748491617 HGOIODPWLNWCAS-HSZRJFAPSA-N 471.537 1.559 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OCC 1748670917 DRYOGQHCENLDOF-XLIONFOSSA-N 461.588 1.710 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748812058 PBSJTCKTJQYGBC-PZJWPPBQSA-N 479.610 1.882 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCOC1 1748945601 VNMNUJKCTVHREY-NRFANRHFSA-N 489.573 1.737 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(Cl)c1 1748965628 TXMMUTFTIFEPMZ-SFHVURJKSA-N 485.969 1.538 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(OC)ccc2OC(F)F)CC1 1748990821 LTYZIVRWFXVZJJ-QGZVFWFLSA-N 460.485 1.643 30 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JDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)ccc1F 731352310 HGQIOYSWZFKHES-UHFFFAOYSA-N 466.579 1.306 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)CC1 758657329 IEQZUIPWWDSIDJ-UHFFFAOYSA-N 456.996 1.477 30 10 JDEE Cn1nc([C@@H]2CCCOC2)cc1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1217395511 FQKSOBSPIQTWTN-QGZVFWFLSA-N 458.544 1.724 30 10 JDEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CC(=O)Nc4ccc(C#N)cc43)cc2)C[C@@H](C)O1 1274999398 CEQPRAXMWMLIMK-GASCZTMLSA-N 454.508 1.955 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CCCO2)CC1 1286350179 WVPQIGGEOZWKFP-MOPGFXCFSA-N 451.593 1.420 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1286381409 GJNXSKDNOQRTHG-MBSDFSHPSA-N 474.583 1.750 30 10 JDEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1286383699 NBLBEICNWYOSPY-ROUUACIJSA-N 495.399 1.750 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1286390071 WDNGDHXYYAFRQT-LJQANCHMSA-N 457.604 1.484 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1286391809 DTNKRYMZLDITBW-KSFYIVLOSA-N 480.537 1.579 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC(=O)NCC(F)(F)F)CC1 1286492576 MRSGTWYUTGVXII-UHFFFAOYSA-N 496.465 1.641 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC2(C1)OCCO2 1286581635 MNZZBPIAIDUULB-MSOLQXFVSA-N 469.608 1.557 30 10 JDEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286823788 REUNIPYYRYKLMH-GOSISDBHSA-N 479.628 1.431 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)c(F)c1 1300308273 OGWBLRIACFVURK-HNAYVOBHSA-N 464.567 1.322 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1300411590 VEMVVPDVKHRZDF-KRWDZBQOSA-N 450.586 1.634 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C)ccc1OC(F)F 1300509723 SQHNQYWSIKOMFS-OAHLLOKOSA-N 451.499 1.919 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCN1CCC[C@@H]1CO 1300532702 YZLUBAUDEOLDCF-LJQANCHMSA-N 459.554 1.904 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC(=O)NCCC)CC1 1300699906 JJQRSMQKIIBRAE-UHFFFAOYSA-N 465.606 1.124 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2nnn(C)n2)CC1 1300730821 FTMNZAPUNYIFBG-UHFFFAOYSA-N 465.587 1.416 30 10 JDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO1 1300849508 QDQXHUVZCXIZBW-ZIAGYGMSSA-N 464.386 1.135 30 10 JDEE CO[C@H]1COCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1300853636 GYLKGWDBHVTAKH-OALUTQOASA-N 468.562 1.061 30 10 JDEE C=CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1301450565 ZULRXAVAWHBQEY-BPQIPLTHSA-N 474.587 1.961 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1301477817 FRBRFLJHWPUWFZ-QGZVFWFLSA-N 460.604 1.913 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC(=O)N(C)C[C@H]1C 1301484020 ZMYILRQJDUZUER-GFCCVEGCSA-N 465.327 1.816 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@H](S(=O)(=O)NCC)C2)cc1 1301520121 CHOMMHOPYACIOR-HXUWFJFHSA-N 488.614 1.645 30 10 JDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCN(C)C(C)(C)C2)cc1C 1304382390 GOAKKWPXOYXLMX-OAQYLSRUSA-N 480.617 1.902 30 10 JDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(CC#N)cc3)CC2)c(OC)c1OC 1309265558 HKAPISAOMKUBAS-UHFFFAOYSA-N 459.524 1.925 30 10 JDEE CCN1CCN([C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)NC(C)C)C2)CC1 1313944493 CSYGAQJBAUETCA-QFIPXVFZSA-N 464.618 1.948 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(CCC(C)C)CC1 1358889954 JKEHLKYOHDRHQY-PZJWPPBQSA-N 480.679 1.827 30 10 JDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCCN1CCC[C@H]1CO 1358949089 SJHCFKJPKBRAKE-NRFANRHFSA-N 452.607 1.758 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1358955199 GVHAMKGXUOSZDZ-LJQANCHMSA-N 458.588 1.157 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1358959511 KJOUNNGXBMCQHH-QGZVFWFLSA-N 466.995 1.198 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN1CCCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1358960267 ANRGRKHXLATGNH-UXHICEINSA-N 459.620 1.570 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C)nc(N2CCCC2)c1 1358994658 SWBIAXUAOKOSDD-NRFANRHFSA-N 466.611 1.995 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCOC[C@H]1C 1359020075 QJRIQKMYCALJRC-OAHLLOKOSA-N 451.369 1.842 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCCN2CCCC2)CC1 1359045932 YKXKUXQDPTZFIS-OAQYLSRUSA-N 490.674 1.412 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(O)CCC2)CC1 1359047770 SMYFQXBZWNFOGJ-UHFFFAOYSA-N 453.543 1.747 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1359096562 DHWHTRRPMJIBTF-YXTQBTIXSA-N 473.622 1.247 30 10 JDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCS(=O)(=O)C1 1359280901 IRDBXVDXSFQRCD-HNNXBMFYSA-N 451.549 1.469 30 10 JDEE C=CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@]1(O)CCS(=O)(=O)C1 1359282571 IAHRULDOKDCPHS-JOCHJYFZSA-N 459.572 1.470 30 10 JDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1359287410 BPFMCRJYWXEBDB-QGZVFWFLSA-N 460.608 1.404 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1359291684 AFRDGRNHQQSYJH-MRXNPFEDSA-N 469.571 1.356 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1359298770 LHIOFUBBNALTDW-UHFFFAOYSA-N 495.609 1.770 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359306015 SSDABMDZNPJXEU-IYBDPMFKSA-N 496.634 1.364 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1359333586 CLNWTODPVBMUGM-MBSDFSHPSA-N 488.614 1.968 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2Cc3sc(C(=O)OC)c(Br)c3C2)C1=O 1438057586 ZTUPQMGUBLXKBX-UHFFFAOYSA-N 456.274 1.116 30 10 JDEE C#CCCN1CCC(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 1444694061 ZOFPOZZTVAMPGR-BHIYHBOVSA-N 453.605 1.261 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(OC)c2)C1=O 1466644512 ZAIBALKTNKFAPN-FQEVSTJZSA-N 451.479 1.734 30 10 JDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCc1cccc(C(N)=O)c1 1503108009 ACVFDJIJMKXELJ-QGZVFWFLSA-N 475.557 1.533 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCCC2)CC1 1503376491 CMECTXYIHGSLNT-UHFFFAOYSA-N 451.575 1.722 30 10 JDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1503827610 DGRGCQJCLXTDRC-LJQANCHMSA-N 487.586 1.157 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(C)no2)c1 1507551276 WHAXOBLIHYYEOL-KRWDZBQOSA-N 468.539 1.581 30 10 JDEE C#CCCCn1c(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507598673 GXRBBDKHEOBZIL-OFVILXPXSA-N 472.634 1.865 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1507623754 WRQQCLXXWJAGCT-XKGZKEIXSA-N 478.546 1.599 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1507627092 INFYWYXXVRTGDN-LJQANCHMSA-N 469.571 1.342 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC[C@H]1OC 1507652510 GYUZZWWVEFMOCJ-SLFFLAALSA-N 473.574 1.711 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc2ccccc2[nH]1 1507688753 DKFGQFMXOCVHDN-FQEVSTJZSA-N 456.572 1.795 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1507734987 GNFKASXUYLBNHU-FQEVSTJZSA-N 489.580 1.277 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)NC)c1 1507772771 NFXGVVFEQREEEF-WMZHIEFXSA-N 486.598 1.011 30 10 JDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1507777885 BIYFKOBOMHHRLC-CHWSQXEVSA-N 493.428 1.900 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(=O)NC(C)C 1507792762 AEWHYJPAFHALRK-WIYYLYMNSA-N 465.562 1.863 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1507832234 VHAKIJFJBOUUQN-KRWDZBQOSA-N 469.999 1.879 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1508078979 LZSRXAFSBSYMPI-QHCPKHFHSA-N 492.628 1.350 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1508088574 SWPKZZNEURDAAU-DLBZAZTESA-N 466.546 1.090 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1 1508107093 YHALHYKBVFEROF-UHFFFAOYSA-N 474.587 1.209 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(N3CCCC3)CCOCC2)C1 1508108228 FQRXAYXJTCSHPM-RTBURBONSA-N 482.651 1.315 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC([C@H]2CCOC2)CC1 1508132497 YZFSKNGIEMMKPA-SFHVURJKSA-N 451.593 1.368 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCOC2)c1 1539039594 DHLMAJMIZGEUFP-LOSJGSFVSA-N 483.569 1.526 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1539206639 SVEHPXPWQMOPFW-GOSISDBHSA-N 480.612 1.400 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1539226256 WHYSUKWXISTBNE-LJQANCHMSA-N 451.556 1.232 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1539231748 XPCXBIXVTDPLJI-RNQSCQIESA-N 488.610 1.722 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(OC2CCOCC2)c1 1539284075 GQKDUTKQUBQRCK-UHFFFAOYSA-N 462.554 1.978 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)N2CCc3ccccc3C2)CC1 1539430018 GOABAFDFSUNKIQ-WOJBJXKFSA-N 485.658 1.090 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCS(C)(=O)=O)CC1 1539468948 KLALVFUDLDCQHD-HXUWFJFHSA-N 457.600 1.830 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CN2CCOCC2)CC1 1539532957 HPHAMHZLOSGMCZ-SFTDATJTSA-N 463.648 1.917 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1539541588 JLDCLDYCKQRPEF-STZQEDGTSA-N 465.620 1.735 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CN2CCOCC2)C1 1539615558 KAJDCIDZIKOHCE-NMLBUPMWSA-N 482.651 1.028 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CCOC)[C@H](CC)C1 1540867328 RRTLFEMNZADZTF-GOSISDBHSA-N 456.547 1.523 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1540872188 GJQNPBINIBZFAI-GOSISDBHSA-N 456.566 2.000 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ncnn2-c2ccccc2)C1 1540884972 ZBHWPMSQYLNMKG-AEFFLSMTSA-N 472.575 1.299 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1540908914 RHAUXNLDZPOETJ-VGOFRKELSA-N 480.562 1.981 30 10 JDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C[C@]2(CCCOC2)O1 1544754091 CFUUWLZFVWUALL-JTSKRJEESA-N 474.587 1.482 30 10 JDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 1586736142 HIPMNCKNZOMIFL-MPGHIAIKSA-N 450.561 1.987 30 10 JDEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 1587847066 CUEVSOOXSRYCQG-UHFFFAOYSA-N 490.612 1.737 30 10 JDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1588030382 UBSKEDCAFQVKPQ-QGZVFWFLSA-N 479.990 1.259 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1588046139 YELJRCQGHQOAJN-LJQANCHMSA-N 473.574 1.969 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1588050955 YIAKPVXULKHJSO-GOSISDBHSA-N 470.555 1.371 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1oc(CCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1588055101 SCNMKLFDKJCJBI-CVEARBPZSA-N 460.560 1.153 30 10 JDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(O)CC(OCC)C2)CC1 1588858160 XZTGUAYUJBGZEX-UHFFFAOYSA-N 453.587 1.757 30 10 JDEE C=C(Br)Cn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1589460894 WZZQUZYMUHXRMV-DOXZYTNZSA-N 454.369 1.942 30 10 JDEE C=C(C)Cn1c(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)nnc1[C@]1(OCC)CCOC1 1593683647 NGBHSVRPEITHHR-NRFANRHFSA-N 479.607 1.059 30 10 JDEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1593846149 WPMFCWHOUIYSFT-UHFFFAOYSA-N 458.950 1.977 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCN(C)C1 1595219095 PUVPIVLBXLGMFZ-FDDCHVKYSA-N 462.595 1.832 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCN(C(C)C)CC1 1595219561 WRNDQIWOQANEKF-IBGZPJMESA-N 482.651 1.025 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](COCC)C1 1595537644 VBJCBQODYWTWDM-INIZCTEOSA-N 451.531 1.357 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@H](C)C1 1595658860 LSCFDGQTUNOLGZ-QUCCMNQESA-N 454.575 1.999 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](OC)C1 1595766290 NUJOWRUSTHVTQJ-QGZVFWFLSA-N 468.601 1.565 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)cc1 1603670751 YGSVUJWYVXKILZ-NVXWUHKLSA-N 464.487 1.180 30 10 JDEE CCOC(=O)[C@@H]1S/C(=N/C(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)N(C)[C@H]1C 1613976246 ZGFQUAXHERJPHV-ZQQZQXNJSA-N 483.612 1.977 30 10 JDEE C=C(C)CNC(=O)[C@@H](CCSC)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1617006780 ANYKFEJPOUBOLN-GOSISDBHSA-N 455.602 1.251 30 10 JDEE C=CCOC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)C(=O)OC 1617951794 YPCFQEKVWXUHLZ-HXUWFJFHSA-N 450.557 1.436 30 10 JDEE C=CCCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1)C(=O)OC 1644820223 XYZHNNZOLYFUCN-LJQANCHMSA-N 451.545 1.167 30 10 JDEE CCCCn1c(N)c(N(CCOC)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(O)nc1=O 1644907821 FNYAKNDRGQQDHX-SFHVURJKSA-N 454.531 1.851 30 10 JDEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1649582403 FCXGKHMCJOJWJI-FQEVSTJZSA-N 456.547 1.621 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)CC1 1669655547 JNHVSKTXSNBBRR-UHFFFAOYSA-N 458.928 1.615 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 1670882642 RRJIDIGODTYNPU-ZDUSSCGKSA-N 459.366 1.805 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1689990854 SPSDVHGKIUPAJH-SJORKVTESA-N 497.668 1.123 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@@H]1C(C)C 1690046739 GILIUMSZZOSXEB-HSALFYBXSA-N 463.604 1.135 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690278691 NLYHTSSMYBTNBT-QGZVFWFLSA-N 458.544 1.397 30 10 JDEE C=CCC(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690438044 XYCRAVDKFYPLFB-KRWDZBQOSA-N 468.558 1.615 30 10 JDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)COC)CC1 1690480463 JTAITNSUXNPJSG-UHFFFAOYSA-N 461.592 1.499 30 10 JDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1690497954 YZLZUFHHHYFLMH-TZIWHRDSSA-N 475.638 1.388 30 10 JDEE Cn1cnnc1[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1696872493 BHBIFFKJPCYUAZ-INIZCTEOSA-N 471.472 1.580 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCNS(C)(=O)=O)c1 1705507157 SXNWXSDOTQAAFR-GOSISDBHSA-N 460.560 1.125 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CCS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1705559727 FFRUTTVUNLNNCP-KRWDZBQOSA-N 464.613 1.676 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705560275 JHALKXZRYUJXEK-VQIMIIECSA-N 489.573 1.710 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1705560591 IGUXNUPVZIPYCD-WMZHIEFXSA-N 479.647 1.430 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nnc2n1CCC2 1705589808 XNTNMLBWMSHQJV-UHFFFAOYSA-N 462.945 1.910 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCN1CCN(C(C)=O)CC1 1705591971 NCCPRWLBNLXLRY-UHFFFAOYSA-N 486.418 1.673 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1705633172 LETQABDEUALQPK-HRAATJIYSA-N 481.022 1.205 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC[C@H]2C)CC1 1705648730 XHXNMNQYPSTATM-RLLQIKCJSA-N 492.646 1.013 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)C(=O)NCC)CC1 1705650920 CPRKUMWICOTFFI-UHFFFAOYSA-N 468.606 1.268 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCCC2)nc1 1705843452 FNEYWXGQJYQZGA-SFHVURJKSA-N 461.592 1.277 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1705890750 GDTFEOBACWJVRC-KRWDZBQOSA-N 450.521 1.384 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1705896584 RIHBLXGGTCLTNQ-UHFFFAOYSA-N 496.572 1.290 30 10 JDEE C=CCNC(=O)Cn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1705907927 CAPMQEJKSGUVGJ-HSZRJFAPSA-N 467.530 1.156 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1705908815 HZIJQXMMSBSSQX-ZHALLVOQSA-N 467.636 1.902 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](c2ccco2)N(C)C)C1 1705926122 YPTUYOBVKWJVDT-WSTZPKSXSA-N 494.618 1.288 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1705931152 HPIJDSKYAUXAMU-GOEBONIOSA-N 497.419 1.884 30 10 JDEE COC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCCN(c2ccccc2C#N)CC1)OC 1712155129 CHGQMMWZPVUBBG-FQEVSTJZSA-N 450.547 1.928 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1722363224 DSUOWWAHUGIZSB-HOCLYGCPSA-N 499.515 1.565 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCN(C(=O)OC)CC1 1722380776 XYWQBDPACFCWDT-UHFFFAOYSA-N 473.537 1.743 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccsc1Br 1722419407 ACKDSDYXURFSQB-GFCCVEGCSA-N 476.422 1.847 30 10 JDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCS(=O)(=O)C1 1722426470 CHGKBMYPYYGTDV-INIZCTEOSA-N 465.601 1.180 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1722428067 BIUAYSVZTGDEBF-YADHBBJMSA-N 487.626 1.167 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC2(N(C)C)CCOCC2)CC1 1722449226 OLTSXOQGEWFYBY-UHFFFAOYSA-N 485.658 1.710 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NCC)CC1 1722505958 DANBYXXUEHPUCR-KURKYZTESA-N 466.608 1.013 30 10 JDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(CCS(C)(=O)=O)C1CC1 1722522058 RDNDNTBPPHJZMM-UHFFFAOYSA-N 452.606 1.828 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1722695588 IUSQHLBNXBUPGJ-UHFFFAOYSA-N 474.997 1.286 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C)C1 1722701529 SNAITBUGJKXZKA-FQEVSTJZSA-N 453.591 1.170 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN3CCCC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1722731974 SJKIFKRWKDNENA-SIKLNZKXSA-N 467.636 1.594 30 10 JDEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)CN2CCOCC2)C1 1722819612 FELVOBXIQSHGJU-DENIHFKCSA-N 481.601 1.802 30 10 JDEE CCN1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1728637363 DYSMUGXEPYPDCE-JOCHJYFZSA-N 485.658 1.716 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1740534219 XXXDBAXJTMVNCO-FRQCXROJSA-N 474.587 1.512 30 10 JDEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740581816 GWXWKYOWSRGQTG-KRWDZBQOSA-N 454.531 1.940 30 10 JDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1740599486 BNHNSEBJJMYGGG-YLJYHZDGSA-N 460.604 1.803 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1740624505 JHNMSQXOFMAFLT-NYLDSWQDSA-N 474.631 1.972 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1740624577 IEUSZJQBAFHHFE-UYAOXDASSA-N 497.625 1.448 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCOc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1740625364 FHIZQXVFJXQNIM-RTBURBONSA-N 474.583 1.886 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCn2ccnn2)CC1 1740695671 AODKRBXIOUMHKE-UHFFFAOYSA-N 483.621 1.830 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C)COC)CC1 1740696435 UMRYRZDPXOFJCW-RBUKOAKNSA-N 462.595 1.624 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cnn(CC)c2)CC1 1740700773 HNSHNGHHJYPDNB-UHFFFAOYSA-N 461.530 1.156 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(O)CCSC2)CC1 1740703258 LJMBMRPCISWFMD-HSZRJFAPSA-N 455.584 1.788 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCC(=O)NC(C)C)CC1 1740707036 MCPWPWSGMSTCGG-UHFFFAOYSA-N 457.604 1.514 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1740717644 XOZJYAORILFEAO-MCIONIFRSA-N 452.524 1.703 30 10 JDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740721009 UPMOZZQUECEXAK-UHFFFAOYSA-N 482.639 1.821 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CCCO)CC1 1740760321 HZTWFGSKIZWCOA-HBMCJLEFSA-N 497.662 1.581 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(N3CCOCC3)n2)CC1 1740833225 NSYUYGPFSZKVSA-KRWDZBQOSA-N 475.619 1.571 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1740952023 SCGMWUQZTOWNLS-NCOADZHNSA-N 496.634 1.220 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1740957097 AZAFFXBWHSWLEF-UHFFFAOYSA-N 454.623 1.581 30 10 JDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1740958318 NCLSXSGGQJRXMB-UHFFFAOYSA-N 465.602 1.676 30 10 JDEE CC(C)C(=O)NCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1741292218 BENUSHIMSCPBJZ-UHFFFAOYSA-N 487.568 1.896 30 10 JDEE CCn1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCN(c3ccccc3C#N)CC2)cn1 1746351839 DIHSONMQEMQKLJ-GOSISDBHSA-N 497.629 1.741 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1748802211 NJGPZHQHVCWQRZ-PMACEKPBSA-N 476.647 1.261 30 10 JDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1748803485 ZJTSWAXUPOMWDI-GOSISDBHSA-N 492.001 1.403 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1748817270 HQVOVDKEPHNJAP-NJYVYQBISA-N 458.584 1.666 30 10 JDEE C#CCN(c1nnc(COCC)n1CCNC(=O)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1748823753 BECVLFJXXAULDF-IBGZPJMESA-N 459.572 1.180 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N(C)C1CCCCC1 1748948239 JFZRKTBHKJBSBA-UHFFFAOYSA-N 453.547 1.803 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1SC 1748965952 XRBGQLYHQRUZQB-SFHVURJKSA-N 497.618 1.606 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(CCC)CC2)CC1 1749005653 YLRSAYHPKBZTRT-MRXNPFEDSA-N 450.609 1.434 30 10 JDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749114764 GQWKZOKUNLOEMK-QWHCGFSZSA-N 451.329 1.570 30 10 JDEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)C1 1749180870 HHCJFFNAWXVEAU-IBGZPJMESA-N 462.576 1.672 30 10 JDEE 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461.607 1.765 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)N1CCSCC1 1760288042 OBFZEFUNMTTZBV-OAQYLSRUSA-N 489.627 1.296 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN1CCOCC1(C)C 1761493182 HQMSARAYAHRDCE-UZLBHIALSA-N 453.613 1.129 30 10 JDEE Cc1ccc(SCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1 1761873608 GHFWZQSMBJNZQK-ROUUACIJSA-N 476.628 1.889 30 10 JDEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cc(C)ccc1S(C)(=O)=O 1860996152 UCYZVDNHLWBASW-HXUWFJFHSA-N 458.536 1.967 30 10 JDEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(CCN)C(C)=O)=C(N)Oc2c1c(CCC)nn2C 1865223550 ZEZOGNWCPKPPEY-IBGZPJMESA-N 453.543 1.966 30 10 JDEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCOCCCC)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865721758 AVHWWAXDKPLZGC-IBGZPJMESA-N 498.580 1.666 30 10 JDEE O=C(NCCc1cnc[nH]1)[C@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869932142 VKVKXBDQBOFEQL-FQEVSTJZSA-N 462.535 1.900 30 10 JDEE Cc1c(C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 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C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1722359735 VXMMNNPIRSBQJU-IBGZPJMESA-N 471.583 1.610 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1722364991 JVWWCLAZDNQYEF-CTNGQTDRSA-N 456.616 1.623 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722423866 RNZPUWDHZIUFMZ-SFHVURJKSA-N 468.583 1.861 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2cc(C(F)(F)F)ccn2)CC1 1722441633 UCNSCXWHMKUXMA-UHFFFAOYSA-N 461.492 1.812 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722453251 QMKDQIDUFZNFDC-HXUWFJFHSA-N 470.599 1.855 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1722523465 VBLPUPWFPDXWQM-CABCVRRESA-N 466.530 1.260 30 10 JDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722534216 IWPJEPOJQDLQBR-WIYYLYMNSA-N 456.595 1.260 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1722536610 GEGDIYKGFZBLKQ-RTBURBONSA-N 463.608 1.823 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1722693390 MFROCXAROAUFSU-INIZCTEOSA-N 466.546 1.831 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cccs1 1722699814 ZCVMSLDQDIZZBK-CVEARBPZSA-N 480.616 1.316 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722706276 PZTHFUGEFZJIJA-UHFFFAOYSA-N 482.564 1.744 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1722712829 ADZOAKLYIDQQKG-PMACEKPBSA-N 468.558 1.564 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccnc1N1CCOCC1 1727228781 AKTNDXVCQXJGON-IBGZPJMESA-N 468.562 1.205 30 10 JDEE CCS(=O)(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1729224664 CTDOQQXYGJQMNB-KRWDZBQOSA-N 477.566 1.059 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCCOC)cc1 1740549295 DZCPJPZDBACOQW-PXNSSMCTSA-N 477.587 1.142 30 10 JDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1740588309 PFWXICIMMKMYFH-OAQYLSRUSA-N 468.583 1.861 30 10 JDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(CS(C)(=O)=O)CC1 1740608107 ANEYEGPCONEQOY-UHFFFAOYSA-N 454.556 1.569 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C)cc1OC)[C@@H]1CCS(=O)(=O)C1 1740618187 DIVSAGOTEPCLNJ-HYBUGGRVSA-N 488.610 1.922 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CCCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740619241 GVFXSWVRPLPUII-NRFANRHFSA-N 471.627 1.993 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCC(C)CC2)nc1 1740686042 NVVFKBMJAOSXDP-NRFANRHFSA-N 486.642 1.946 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2ncn(C)n2)CC1 1740691476 FFBNPLQCDHYRFB-UHFFFAOYSA-N 455.364 1.948 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2Cl)CC1 1740702211 JQTUKLFCSCTQRM-HNNXBMFYSA-N 479.006 1.556 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2snnc2C)CC1 1740707717 NHZLZPFKTKORIG-UHFFFAOYSA-N 476.566 1.903 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1740716347 WTBIYAJCSDWEFT-OAHLLOKOSA-N 472.596 1.182 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1740843773 PQQPIPVRSMBRKB-ZBFHGGJFSA-N 453.613 1.531 30 10 JDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740886839 UWAPKCHPVKYMPC-QGZVFWFLSA-N 459.576 1.699 30 10 JDEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740890113 TVTFPNCBOPCVME-CQSZACIVSA-N 450.341 1.842 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCc2ccccc21 1740932900 YQIHQJPFJOXHSF-REWPJTCUSA-N 473.599 1.623 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCc2ccccc2)CC1 1740963298 HAOPNWIZHQVVJA-UHFFFAOYSA-N 462.602 1.807 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2ccccc2F)C1 1740970998 SMOHZWCOXLHWQO-KRWDZBQOSA-N 456.522 1.865 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)O[C@H](C)C1 1740990027 GHFULFNUPRNNET-HZPDHXFCSA-N 472.571 1.406 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)noc1C 1740992007 KXUYIURTVIXPHS-HNNXBMFYSA-N 457.578 1.022 30 10 JDEE CC(C)(C)Oc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cn1 1741232803 HLYHXAMYMVKZFK-SJORKVTESA-N 460.560 1.530 30 10 JDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1ncccc1N(C)C 1742912344 AQZPJLNZPXYFFJ-QGZVFWFLSA-N 460.542 1.905 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(OC)c(OC)c1 1748789690 AAIQBIOIFAVJQK-HXUWFJFHSA-N 491.614 1.675 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1748820992 LAYWPKUVMXXRMV-GOSISDBHSA-N 473.990 1.863 30 10 JDEE C=C(Br)Cn1c(N2CCO[C@H](Cn3cccn3)C2)nnc1[C@]1(OCC)CCOC1 1749112062 AFRZGDVVZUYYKD-LPHOPBHVSA-N 467.368 1.941 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1749114710 GAXWANKMLHCGRR-NJYVYQBISA-N 459.639 1.614 30 10 JDEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749268754 GREBODDYDKDGLQ-UHFFFAOYSA-N 481.026 1.676 30 10 JDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1749445318 LTMHUGIREVKOSH-SJORKVTESA-N 457.597 1.255 30 10 JDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1749640152 AZJWEAGVQACLPH-KDURUIRLSA-N 454.623 1.952 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1749721670 QPOWSBYNWZKKTI-FQEVSTJZSA-N 484.582 1.564 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749724146 HKCGARVQBUHQEA-QGZVFWFLSA-N 490.611 1.559 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(c2ncccn2)CC1 1749729178 DABKGEQHMMRTCY-UHFFFAOYSA-N 469.571 1.671 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1760184349 VZCFUANFEQSKBG-YLJYHZDGSA-N 468.583 1.748 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCN(C(C)=O)C2)n1 1760252504 OKVUUQWPUMXETB-HXUWFJFHSA-N 479.589 1.420 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760314337 VIDLDNLEWPQCEC-OTWHNJEPSA-N 460.579 1.225 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1760412210 XUWVHGZTHIPISR-YZGWKJHDSA-N 457.623 1.820 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1760515198 QXMJJHGSCCYCFU-UHFFFAOYSA-N 482.564 1.836 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H](C(N)=O)C1 1760518836 JFCHDAJTLPDQCV-LLVKDONJSA-N 467.755 1.975 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C)C1 1760533111 MJSIZWGABWKTHZ-PXNSSMCTSA-N 477.587 1.449 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1760556198 WUWBARAHIIIHAM-SFHVURJKSA-N 466.608 1.111 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN1CCOCC1(C)C 1761493179 HQMSARAYAHRDCE-JXFKEZNVSA-N 453.613 1.129 30 10 JDEE CNS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N 1769380870 COFYEZHJKCTRHQ-GJZGRUSLSA-N 455.585 1.638 30 10 JDEE COCCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCO[C@@H]1C 1771109842 AHKLFOUUJSLBDC-IIBYNOLFSA-N 463.560 1.255 30 10 JDEE N#Cc1ccccc1NC(=O)[C@H](CO)NC(=O)C[C@@H](c1cccc(Br)c1)c1nn[nH]n1 1867251724 RSDBISQYYIFZLS-RDJZCZTQSA-N 484.314 1.472 30 10 JDEE CC(=O)Nc1cccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1870155546 SBYILDFKPQDNDD-UHFFFAOYSA-N 474.393 1.240 30 10 JDEE C=CCn1c(C(=O)N2CCN(C(=O)OCC)CC2)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873560837 OPUCJBNIPBMIIN-UHFFFAOYSA-N 484.557 1.875 30 10 JDEE C=CCn1c(C(=O)N2CCN(c3ccccn3)CC2)cc2c(NCCOCCO)ncnc21 1875230642 IVBCMCKERIWTMQ-UHFFFAOYSA-N 451.531 1.396 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cn(C4CCSCC4)nn3)CC2)CC1 1889403790 IKJJRJRFLDVWIJ-UHFFFAOYSA-N 460.648 1.608 30 10 JDEE COc1cc(CC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc(OC)c1OC 1890386863 AIJKHQQRITYSPJ-UHFFFAOYSA-N 459.587 1.513 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OCc3ccccc3)C2)n1 2247910505 MFFGHSVXDTUYAP-KRWDZBQOSA-N 454.336 1.860 30 10 JDEE COC1(CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255638004 HQTZJYVWGZBQAG-UHFFFAOYSA-N 453.370 1.808 30 10 JDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2S(C)(=O)=O)C1 2266523683 PUVGKIOWGRXTCY-OJLPUSQMSA-N 485.603 1.442 30 10 JDEE COc1cc(C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2267145227 DZAOAPIUZJJVIS-OAHLLOKOSA-N 450.341 1.610 30 10 JDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C 2267704348 LYMFKQSBUOXIDO-AWEZNQCLSA-N 490.453 1.862 30 10 JDEE Cc1sc(C)c(S(=O)(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267719957 KBLAFXDUMOPXRA-AWEZNQCLSA-N 490.453 1.828 30 10 JDEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2281971056 UCGNFSCNHAHPAG-HNNXBMFYSA-N 463.388 1.000 30 10 JDEE Cn1nc(C(=O)N=[S@](C)(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2281976626 DPDYTXHHRYALKL-LHRCYKKBSA-N 482.412 1.967 30 10 JDEE COc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2281988088 HIAOKJZKPUBZTR-SJORKVTESA-N 462.352 1.704 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2282329730 QNKXZNYINRKZBK-LSDHHAIUSA-N 484.428 1.691 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1nc(CCNC(=O)OC(C)(C)C)cs1 2282684467 QXSVIRNPDOIDPS-UHFFFAOYSA-N 478.384 1.890 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@@H]3C[C@H]3[C@H]2CNC(=O)OC(C)(C)C)n1 2282838527 PPPOVIMTQCTKGI-SQWLQELKSA-N 482.412 1.253 30 10 JDEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C[C@@H](C)N1C(=O)OC(C)(C)C 2282848802 SAHVFUOLNPSMKF-GASCZTMLSA-N 484.428 1.738 30 10 JDEE Cc1nc(NC(=O)[C@H]2C[C@H](O)CCN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2283974636 VPKFWPMFKOVVAR-GDBMZVCRSA-N 462.356 1.783 30 10 JDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cc(OC)c(O)c(OC)c1 2329034975 KTAGORWZYGYFMU-AWEZNQCLSA-N 477.543 1.873 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C)cc1NC(=O)C(CO)(CO)NC(=O)OC(C)(C)C 2370320356 NVWIIGCSIXBYKK-UHFFFAOYSA-N 464.368 1.789 30 10 JDEE N#CC1=c2oc(=O)/c(=C\c3cccc([N+](=O)[O-])c3)n2-c2oc(N)nc2[C@H]1c1cccc([N+](=O)[O-])c1 20457218 VGOURTKCLRJNLP-BDBSJLECSA-N 472.373 1.466 30 10 JDEE CCc1nnc(CN(C)C(=O)CSc2nnc(N/N=C/c3c(C)nn(C(C)C)c3C)n2N)o1 20912028 SIZUEQOJHUQGCJ-ODCIPOBUSA-N 475.583 1.528 30 10 JDEE COc1ccc(OC)c(NC(=O)CSc2nnc(N/N=C/c3cccc(OC)c3O)n2N)c1 21319155 YMYOFPMIFLNIFO-LSHDLFTRSA-N 473.515 1.900 30 10 JDEE CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3C[C@@H](O)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C 22060526 UFQYEKPVHOQAHA-OEQIHUPOSA-N 457.523 1.534 30 10 JDEE in-vitro CCn1c(N2CCN(C)CC2)c(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 33812516 QPZPMAAWPIXOKV-OQLLNIDSSA-N 461.569 1.086 30 10 JDEE CC1(C)C(=O)N(CC(=O)Nc2ccc(C#N)cc2)c2ccc(S(=O)(=O)N3CCOCC3)cc21 45913523 VPMWQXFGAYHMSJ-UHFFFAOYSA-N 468.535 1.842 30 10 JDEE C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)CC)cc2n2c(=O)n(CC(=O)NCc3ccco3)nc12 45943479 HJCZAOMNEDZFFI-HNNXBMFYSA-N 478.509 1.435 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1ccccc1C#N 604001454 GBGLOLINDSWSBA-UHFFFAOYSA-N 470.510 1.363 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CC(=O)OC)c2cccc(Br)c2)C1=O 604527072 ZOMQWCSAZDOSAT-CYBMUJFWSA-N 452.261 1.146 30 10 JDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1cccs1 729672718 DPZZMHFXNRTZBH-INIZCTEOSA-N 493.614 1.516 30 10 JDEE C[C@H](OC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(=O)Nc1sc2c(c1C#N)CCC2 857430885 BOWMVDINDLIMSM-NSHDSACASA-N 459.505 1.823 30 10 JDEE C=C(C)Cn1c(SCC(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)nnc1-c1ccco1 1136250944 NMPYWGNKHMCGGY-AWEZNQCLSA-N 454.578 1.238 30 10 JDEE CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N2CCN(c3cnccc3C#N)CC2)c1 1160050728 GUVHVLMEAMGJRJ-UHFFFAOYSA-N 457.556 1.955 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H](O)C[C@H]2c2n[nH]c(-c3ccccc3)n2)c1 1214016722 NROFVOULEMHHSS-MJGOQNOKSA-N 453.524 1.884 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1286341422 DSLXQRVXOAJUHM-GFCCVEGCSA-N 457.482 1.673 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1286376703 NIDLVPRPVYIEKH-MGPUTAFESA-N 475.571 1.061 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1286383122 LESXLQXHOHZTHS-WMZHIEFXSA-N 476.574 1.939 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCC[C@@H]1NC(=O)NC1=O)[C@H]1CCS(=O)(=O)C1 1286386835 IFUGQDXJDFLKLK-YOEHRIQHSA-N 490.973 1.213 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CC1CCN(CCN(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1286387760 UXTGIYDFSAWIJT-JOCHJYFZSA-N 485.658 1.240 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)N1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1286389054 DVPYBRMNNHJVIB-GOSISDBHSA-N 487.630 1.251 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(O)CCOCC1 1286408431 HOOMMHOKHPJSJW-UHFFFAOYSA-N 460.538 1.679 30 10 JDEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1286677459 BLVPCBNVMKRFIP-IBGZPJMESA-N 460.604 1.858 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286700280 LJXWORHCIQOFRB-IRXDYDNUSA-N 484.623 1.681 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCCS(C)(=O)=O 1286778828 BKDAACOSCBJSAI-UHFFFAOYSA-N 456.572 1.975 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1286787178 QIVJBMAYCOESEK-WOJBJXKFSA-N 494.644 1.577 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1286787444 GCJUVBKOEZHFED-LJQANCHMSA-N 488.614 1.375 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1286790967 QVPBDUPGWLRPMM-UHFFFAOYSA-N 497.575 1.375 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2ccc(OCC)cc2C1 1286814840 XBPGTJSCPGEYSV-UHFFFAOYSA-N 461.588 1.979 30 10 JDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)c3cccc(F)c3C#N)C2)CC1 1293999730 IESQUAUMUFQRLS-UHFFFAOYSA-N 452.508 1.404 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1300483516 KUBLSZFACKEDSR-CVEARBPZSA-N 457.622 1.095 30 10 JDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1301429328 WROCOBSJOOMEIK-MRXNPFEDSA-N 464.567 1.495 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1301490173 MDNOGRIPADHENI-HXUWFJFHSA-N 479.629 1.943 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(F)(F)F)CC1 1301492512 JNSWWEMZUHMSMK-UHFFFAOYSA-N 452.437 1.660 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1301579606 XUOSWYGVLYHDTM-UHFFFAOYSA-N 489.646 1.898 30 10 JDEE C=CC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)C1 1307914190 CREPFMOOSBEQJT-SFHVURJKSA-N 451.589 1.825 30 10 JDEE C[S@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)CCC1 1316364915 DDKULGKBHMHYKR-UMSFTDKQSA-N 486.598 1.501 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1358919870 MLJPLUKDJBRSTH-IBGZPJMESA-N 474.631 1.941 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1358959037 ANLVHUYKKNBBRO-OAQYLSRUSA-N 455.584 1.830 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1359049495 QJXMHAHHYVHJGN-INIZCTEOSA-N 481.648 1.182 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1359096777 GUEZZTKBANRKCR-BJLQDIEVSA-N 475.619 1.824 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](OC)C1 1359294227 OFOZILQNAJKKSI-QGZVFWFLSA-N 462.576 1.113 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1359329460 JKESBCGBGVSYLF-SBUREZEXSA-N 492.598 1.947 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](C(=O)NC)C1 1359333938 OTBNEHZLTGGIQZ-HNNXBMFYSA-N 452.606 1.197 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1359335611 PYDGTKBDGHPANT-JOCHJYFZSA-N 462.572 1.762 30 10 JDEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)n1 1460051037 ZGLMELUPBIQDAT-UHFFFAOYSA-N 451.571 1.244 30 10 JDEE CCN1CCN(C[C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1502342776 DQRULKKDOLPPGY-REWPJTCUSA-N 499.685 1.962 30 10 JDEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1503731490 CMMJDRZXULNHHA-CJFMBICVSA-N 479.585 1.950 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCSC1 1504872667 GROCOXJMRURUBY-JOCHJYFZSA-N 458.588 1.809 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)N(C)C 1507512441 GUPINHFWZILORL-AWEZNQCLSA-N 452.968 1.211 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(Cc2ccccc2)c1 1507539333 USPJLLQPNZAPQA-WIYYLYMNSA-N 483.598 1.362 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507622186 GVLFWYBPLQWQHL-DLBZAZTESA-N 472.571 1.367 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1507627808 FZJUMPTWZAHORF-VQTJNVASSA-N 487.626 1.427 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1507632594 NVXVRDGBLJSCMF-RBUKOAKNSA-N 474.583 1.886 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1507636727 CTLNNJFVLDYTID-IBGZPJMESA-N 473.599 1.588 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1507638398 FAZBYGDRFFXWIT-QGZVFWFLSA-N 487.611 1.101 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1507713534 NRWQOWAXDHXFJU-LJQANCHMSA-N 470.599 1.860 30 10 JDEE C#CCN(CCOC)c1nnc(COc2ccc(Br)cc2)n1CC(=O)N1CCOCC1 1507714508 PUZQVUBRWYNVII-UHFFFAOYSA-N 492.374 1.564 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2nccs2)CC1 1507736286 NPRYZURBKFEPMG-QHCPKHFHSA-N 472.615 1.984 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1507744686 VEULVXVVCRQDQM-LJQANCHMSA-N 469.615 1.131 30 10 JDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@H]1CC 1507843136 IPVAKBGFTYEKPN-GOSISDBHSA-N 451.531 1.500 30 10 JDEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1508038338 IOBDDZVOIAILLA-SFHVURJKSA-N 475.619 1.526 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1508092575 RJTOVMSVTVVCJF-DLBZAZTESA-N 479.628 1.730 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(CC(F)(F)F)CC1 1508094150 ZMIZATQZDCNIGV-UHFFFAOYSA-N 454.501 1.516 30 10 JDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCC(=O)NC1CC1 1513978656 HTDOECYKZVAFII-IBGZPJMESA-N 451.531 1.502 30 10 JDEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1521114439 CUEBFCHLRWPKBW-SFHVURJKSA-N 474.562 1.418 30 10 JDEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539134434 XCUGJQFWIXBWJT-UHFFFAOYSA-N 480.613 1.868 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1539204645 AWUXOCZTHNUHAG-RBUKOAKNSA-N 490.607 1.668 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1539210779 GHXDAYMRWAIKOT-JKSUJKDBSA-N 451.643 1.759 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1539210931 FJHNOSPOUHULMB-PMACEKPBSA-N 455.540 1.249 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)CN(C)C1=O 1539384337 FJFROIOVMSLLNX-BTYIYWSLSA-N 462.551 1.146 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1539414544 WHXFXNLXIYMDAW-LNLFQRSKSA-N 460.579 1.989 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)Oc2cccc(F)c2)CC1 1539477752 XNMGTNPCNWSMGD-OXQOHEQNSA-N 468.533 1.802 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnnn1C 1539540741 SKIGBDHXVYCUJN-OAQYLSRUSA-N 454.560 1.364 30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1539836089 NHUPILMBKXXQFJ-GOSISDBHSA-N 479.628 1.929 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccco1 1540170260 LZXGMOOEVGXCCM-OXJNMPFZSA-N 451.549 1.290 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1540863180 QTVHBUGRWRPSIX-JTDSTZFVSA-N 456.522 1.916 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1540866264 IHPFIZKSWHKECI-OAHLLOKOSA-N 452.968 1.699 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1540873020 KGKCSORRCXKLBR-UHFFFAOYSA-N 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30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1689984334 NKOXQVPWNBLMTI-NZQKXSOJSA-N 458.584 1.940 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1689988439 PBJHXQUCEIMULL-NADMHLTPSA-N 466.567 1.785 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689988458 PMKPIQVLZLVHIS-KNQAVFIVSA-N 481.626 1.826 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1689990851 SPSDVHGKIUPAJH-DLBZAZTESA-N 497.668 1.123 30 10 JDEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1689991067 VFVVHZBRJMWHCG-UXHICEINSA-N 487.630 1.504 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1689996972 SMHJHLULHUQFMF-IAGOWNOFSA-N 496.586 1.058 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@](C)(O)c1ccccc1 1690076996 GKMBJHKUUXYYQW-SIKLNZKXSA-N 461.588 1.368 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](F)COC 1690103493 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C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(=O)(=O)c1ccccc1 1587975127 OLPVJCHQZOSRGX-UHFFFAOYSA-N 472.596 1.782 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588054078 KMYNJSRIONRPSI-RCCFBDPRSA-N 451.593 1.104 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCNC(=O)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1588054921 PYMYKJFQSJCLBC-QZTJIDSGSA-N 489.573 1.368 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)N1CCOCC1 1588194232 RFLMRSVRZQOQOB-UHFFFAOYSA-N 469.611 1.922 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1588749877 ANCJGVSIEHKENL-YKSBVNFPSA-N 496.603 1.430 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CC(=O)N(C)CC)CC1 1588806381 OPSPEUSVDGBIAN-UHFFFAOYSA-N 476.585 1.299 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CCOC[C@@H]2C)CC1 1588872187 YESAMMITCCZXOB-QFIPXVFZSA-N 452.603 1.950 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@](C)(O)C2CC2)CC1 1588891747 STBADWOQWWSLPJ-BJKOFHAPSA-N 459.591 1.446 30 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C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(CCOC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1722369345 YAOBRYPDJOIMIL-OALUTQOASA-N 477.631 1.843 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCN(CC)CC1 1722430456 HDRDTINKXHBHIK-FQEVSTJZSA-N 476.629 1.925 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCCN2CCCCC2)CC1 1722437463 MZVKYLLOKGALPF-OAQYLSRUSA-N 462.664 1.592 30 10 JDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1722535007 WFVJOGWZYTWKNP-UHFFFAOYSA-N 484.605 1.212 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722696019 YDKPKDXTYUCKNA-OAHLLOKOSA-N 467.979 1.923 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1722698105 CCUKXIYXDUUWDK-MRXNPFEDSA-N 456.551 1.354 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1722703136 VYBFVSHZDGDANW-RDJZCZTQSA-N 488.511 1.199 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1722724072 MECIRIHMPVBEFL-IBGZPJMESA-N 481.644 1.502 30 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JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(Cn3cccn3)c2)CC1 1740701215 YMQZOKLPYGXDNN-UHFFFAOYSA-N 488.596 1.675 30 10 JDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1740793439 JCAITUUUMZXDSK-UHFFFAOYSA-N 450.547 1.982 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ncnn1CC(F)F 1740952363 BFHKOLATZYDEAA-UHFFFAOYSA-N 498.336 1.841 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1740985123 BSQSXZCRHHQYQM-KRWDZBQOSA-N 452.625 1.328 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1740985403 HEDPSXVCKMUQHC-INIZCTEOSA-N 451.597 1.831 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740993715 HCLSNQNPWGASHJ-HNNXBMFYSA-N 472.564 1.220 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@]1(O)CCCC1(C)C 1741675642 GRFADOWEHVOVHS-OSPHWJPCSA-N 481.605 1.734 30 10 JDEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CC1 1743905817 DVAIJRGZTIFONM-QGZVFWFLSA-N 462.562 1.030 30 10 JDEE 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479.603 1.466 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)CC1 1300869580 MTWRWPXGNMATSW-RXVVDRJESA-N 488.614 1.503 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1301296671 JHTADJSUAHLHAO-OALUTQOASA-N 466.583 1.675 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1COCCO1 1301341539 SFCOCSARLPTUOZ-VQIMIIECSA-N 460.560 1.368 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCCN(CC)C(=O)C1 1301497202 ROTDFMRGCHOCJI-UHFFFAOYSA-N 492.584 1.426 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCNC(=O)[C@H]1CC 1301514133 FHWYQOWNKAVGBF-MRXNPFEDSA-N 477.363 1.637 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@H](S(=O)(=O)NCC)C2)nnc1C1(c2ccccc2)CCC1 1301517672 AQOXFFNZCCWRJT-IBGZPJMESA-N 472.615 1.568 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCN(C(C)=O)CC2)C1 1301543521 ZSYIXCWNJVSIKF-NRFANRHFSA-N 469.546 1.799 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCSC2)C1 1301557686 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1358958577 QVVGYWLTCUKYOT-SJORKVTESA-N 482.990 1.895 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(F)c(Cl)c1 1358969424 OWHLRTVFKFECHD-AWEZNQCLSA-N 453.927 1.833 30 10 JDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCS(=O)(=O)C1 1359001741 BTEMNYIPZUDSEN-QGZVFWFLSA-N 456.366 1.055 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccccc2)N2CCCC2)CC1 1359029166 QLMRYZXRQNEHLG-UNMCSNQZSA-N 485.658 1.481 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCC[C@@H]2OC)CC1 1359042170 VGADUDVHMYFZMS-NMMYMHLASA-N 459.591 1.711 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CC[C@@H]2COCCO2)CC1 1359047435 GZTSICDJQCSGNC-JOCHJYFZSA-N 483.569 1.637 30 10 JDEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1359199028 IRPZPEFBSLKFEG-UHFFFAOYSA-N 467.617 1.787 30 10 JDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1359287544 KJZSDACKWRDRQQ-MRXNPFEDSA-N 453.590 1.089 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1359293985 HCHWNKJEXNBARQ-LAUBAEHRSA-N 470.574 1.421 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1359299016 RNWVMPYOPCMNMW-HZPDHXFCSA-N 450.547 1.815 30 10 JDEE C=CCNC(=O)Cn1c(N2CCCN(c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1359305672 JWPMCGBYPCALBI-XMMPIXPASA-N 454.575 1.949 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359328700 LTVXKCNDNMGVJO-LJQANCHMSA-N 486.598 1.581 30 10 JDEE C=CCn1c(SCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)nnc1-c1ccccn1 1473001517 NZGCJFKFTQKNCD-UHFFFAOYSA-N 456.553 1.855 30 10 JDEE CCN1CCN(C[C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)=O)CC2)CC1 1502345802 FSONTMIBCNYIEL-NRFANRHFSA-N 494.644 1.671 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2Cc2cnn(C)c2)c1 1507550397 YXCSQMPEIMPXBT-XMMPIXPASA-N 463.542 1.768 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1507628814 QIRIRWLJKHSLJN-QGZVFWFLSA-N 466.585 1.015 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC(C)C)NC(=O)OCC 1507668884 FAFALAUAXLSCGS-MOPGFXCFSA-N 463.604 1.804 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1507741423 SFOSEUUPQIKEPZ-TZIWHRDSSA-N 487.674 1.259 30 10 JDEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1507926868 KMSNJJUOOJQDSN-GOSISDBHSA-N 473.603 1.766 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COc2ccccc21 1508039467 OHJRGOWCLPFNKU-YLJYHZDGSA-N 477.587 1.426 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1508072335 PMDGSOGUYKPJMQ-DLBZAZTESA-N 475.594 1.556 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCS(=O)(=O)N(C)C)C1 1508116855 SDSJRMJMGBJZDJ-OAHLLOKOSA-N 487.424 1.719 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC=CCC2)C1 1508127544 VQIXXSQIUDEYGT-IPMKNSEASA-N 451.593 1.749 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1508145763 PFTCDUPYUUIOTG-IBGZPJMESA-N 480.679 1.600 30 10 JDEE CCNC(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)OC)CC2)CCC1 1515977334 FCTHVXASHVJFQV-UHFFFAOYSA-N 481.557 1.924 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1539017207 YJFWAGRNKQDZRO-KZNAEPCWSA-N 498.650 1.714 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cnc2ccccc21 1539179828 SDLBMGLEFSXTJQ-IBGZPJMESA-N 457.560 1.120 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(Cl)cc1OC)[C@H]1CCS(=O)(=O)C1 1539200605 MAPXEAFKYFMUIZ-KRWDZBQOSA-N 479.990 1.753 30 10 JDEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539210332 BQZAGQXXZJEQBE-IEBWSBKVSA-N 475.615 1.929 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1539219727 MFENBUOBUFHQCS-SFHVURJKSA-N 485.031 1.584 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1539296669 SNPBOVPMZGMPOY-CYFREDJKSA-N 486.594 1.829 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC[C@H]1CC 1539325062 AZCMYVHGSAUWTB-RTWAWAEBSA-N 476.647 1.338 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@@](=O)CC 1539325163 CUBGYNFIRGIYFJ-UPTQXZAWSA-N 463.604 1.818 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)F)c1 1539415507 FHAAYYDPCZEDOL-GOSISDBHSA-N 483.541 1.683 30 10 JDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1540028237 MBSZPAQSFPRKEZ-GOSISDBHSA-N 451.535 1.476 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1540902888 SZBJYKHPKJRTKC-MSOLQXFVSA-N 461.592 1.485 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1540904036 ITBRGABZGSGPTN-MRXNPFEDSA-N 472.537 1.938 30 10 JDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1547259065 ADOHBRZMMQPBEA-NRFANRHFSA-N 478.557 1.665 30 10 JDEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)c(OC)n1 1554931441 FNCWUFPXMYUQQI-SFHVURJKSA-N 468.539 1.901 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1588029789 MBMBLNUWVDTAMC-PGRDOPGGSA-N 493.655 1.792 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1588059697 SMMUPOJDOQGLSF-UGKGYDQZSA-N 462.547 1.440 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCNS(C)(=O)=O 1588124203 FVCZSGITGUWGCY-UHFFFAOYSA-N 481.582 1.248 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H]1COCCO1 1588627947 BFTHLIZEUBEJKO-QGZVFWFLSA-N 452.515 1.084 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1588930070 MRORYYMWLHYTJL-KOSHJBKYSA-N 455.534 1.795 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCOC1 1589544799 KCAFOFAYUWQMEJ-ZRNYENFQSA-N 483.635 1.455 30 10 JDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1594097283 PTNOWRYXLGXHTB-KRWDZBQOSA-N 480.612 1.819 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1S(C)(=O)=O 1595239842 UXVYYQHRCAPZNY-WOJBJXKFSA-N 472.615 1.888 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2ccccc2OC)CC1 1595405286 HJJMCCJZKNMCMO-FQEVSTJZSA-N 476.603 1.128 30 10 JDEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1595405347 KVLHTYYAGOXONQ-WIYYLYMNSA-N 470.574 1.640 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1595776447 ADKSHYIGBTVJJF-KRWDZBQOSA-N 475.596 1.717 30 10 JDEE C=CCNC(=O)N[C@@H]1CCN(C(=O)CC(C)(C)C)[C@H]1C(=O)N[C@H](Cc1cccs1)C(N)=O 1616126643 POPVSLSPIGSDNG-JFIYKMOQSA-N 463.604 1.152 30 10 JDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C 1661513141 PCJBCGVFGBOMGN-NSHDSACASA-N 451.320 1.477 30 10 JDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)C1CCCC1 1683688436 CQJFMDMIIAIIFW-ZWKOTPCHSA-N 450.565 1.071 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1689929982 IULAMMGPCNURNS-HXUWFJFHSA-N 488.614 1.716 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689977856 FJLAKSAHUTWKKD-RTBURBONSA-N 485.614 1.284 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1690181334 VJEIKSFBBPBOAM-UHFFFAOYSA-N 470.574 1.755 30 10 JDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690227095 VPWWNZOOBKEAHJ-LBPRGKRZSA-N 487.380 1.385 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1690238186 GIBJCELORTTZGU-NMLBUPMWSA-N 493.634 1.280 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1690662705 CVXYFQYQSFYXFT-RYUDHWBXSA-N 465.377 1.786 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1690665634 KPWZGAIKZQUMHS-UHFFFAOYSA-N 490.612 1.786 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1690672927 IIJOZDBIXSFICL-SFHVURJKSA-N 453.503 1.449 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)N3CCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690678102 KYZOXJFIYAIFGJ-DEOSSOPVSA-N 489.621 1.349 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2C#N)CC1 1690722585 OMNGTZUHPHCOBP-UHFFFAOYSA-N 466.571 1.478 30 10 JDEE Cc1n[nH]cc1CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1692915892 GOOXNQBMWIQPAA-NQIIRXRSSA-N 476.607 1.405 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1697022301 GWQWAKSKYTXNLY-SFHVURJKSA-N 453.528 1.419 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCCS1(=O)=O 1705490579 MURGGHGCVLBRTB-MRXNPFEDSA-N 469.571 1.168 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C(=O)NCC#C)CC1 1705526655 NEUNTIVRQNHQTD-UHFFFAOYSA-N 482.610 1.575 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705567348 WZEPNORJBLSQGO-TZIWHRDSSA-N 473.647 1.960 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccnc1OCCC)[C@@H]1CCS(=O)(=O)C1 1705571689 GAJCAMFLQVXWLP-RTBURBONSA-N 459.572 1.988 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)c(F)c1 1705598562 LNXYIGOAWDAGBB-LJQANCHMSA-N 471.558 1.521 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCC(=O)NCCC)CC1 1705638197 BSTMKZSDXHUOQG-UHFFFAOYSA-N 490.612 1.907 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1705648162 PFNFNWWYLHLNQO-BSYVCWPDSA-N 465.558 1.428 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1ncnn1CC(F)F 1705888191 JUIZADLKEXZLOX-UHFFFAOYSA-N 466.518 1.874 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1705895266 ZWYQEMRVAYUASH-MWTRTKDXSA-N 488.976 1.548 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1705900023 NMQCDWIAJDWNLT-BGYRXZFFSA-N 452.607 1.637 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1722362505 BKTMJTDSZMJNQL-INIZCTEOSA-N 496.431 1.978 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1722364418 ZNVJVNGWSZVTJX-SJLPKXTDSA-N 462.572 1.872 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccccc1C1OCCO1)[C@@H]1CCS(=O)(=O)C1 1722371886 ZLKNVMVWLHGIBI-GOSISDBHSA-N 460.556 1.535 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(Cl)cc1 1722426624 LCVFWPOCUKLRMC-MRXNPFEDSA-N 452.964 1.999 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCCS2(=O)=O)n1 1722428837 BURXZASCJMGONH-PZJWPPBQSA-N 490.630 1.622 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCN(C)S(=O)(=O)CC)CC1 1722434292 OUYWTHYTJOOMTP-UHFFFAOYSA-N 460.604 1.381 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCS(C)(=O)=O)CC1 1722443452 SPQIVAQMPSMOLZ-UHFFFAOYSA-N 464.979 1.394 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCO[C@@H](C)C1 1722474551 OVASGQPOUPCAJN-LMVRJCEZSA-N 465.620 1.808 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCOC2)C1 1722588772 ZKKFVTPEBXJFCG-DYESRHJHSA-N 453.609 1.830 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1722693408 MODCVAUSSHPUBB-MOPGFXCFSA-N 454.531 1.512 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1722695174 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C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCCN2CC)CC1 1749016058 YDYHCPCWMDIZKG-FQEVSTJZSA-N 455.607 1.241 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1749133473 MBFSJLQJLLUPHJ-APWZRJJASA-N 450.565 1.462 30 10 JDEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2nncn2C)CC1 1749331049 CJXJTAWEMZHBDP-UHFFFAOYSA-N 456.576 1.775 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1749426542 FGNJUGHTMHJTAV-HOTGVXAUSA-N 480.557 1.650 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(N2CCOCC2)CCSC1 1749574707 CRZGPHULMSFTNK-GHTZIAJQSA-N 467.661 1.567 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1749658679 UKTXFPJIMYPFMA-UHFFFAOYSA-N 463.933 1.889 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(Cn3cccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749681631 FIJAQARSBWAFRR-QHCPKHFHSA-N 457.579 1.734 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1749727519 WPJDQNKPDHVPFP-JOCHJYFZSA-N 475.571 1.280 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1749731355 BXUJJYTYBQPFAK-CVEARBPZSA-N 482.607 1.181 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](C)N1CCOCC1 1760120651 NJZOFARVVRSIFG-PKTZIBPZSA-N 465.646 1.821 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1760137972 ONTGSLHFSGSSNM-WOJBJXKFSA-N 476.647 1.117 30 10 JDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1760161112 AGXYKNAHEXSCKI-BJLQDIEVSA-N 455.563 1.813 30 10 JDEE C#CCN(c1nnc(CC)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760187923 YTWJLWYEETWLPN-YRXWBPOGSA-N 493.630 1.492 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760188290 OIDNXGSQZFFBQQ-IHPCNDPISA-N 470.599 1.381 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1760192072 QCXXGXQMHGZUGL-NRFANRHFSA-N 482.610 1.789 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(Cl)c(OC)c2)CC1 1760253400 DUQFAODKEPIMHH-INIZCTEOSA-N 481.022 1.548 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2cccc(N3CCOCC3)n2)CC1 1760264608 AMWGYYFGORJMOB-UHFFFAOYSA-N 451.575 1.647 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1760275428 XCFKYESMBXYCFM-HZPDHXFCSA-N 478.648 1.176 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccccc1 1760294883 IYEUOQZJFBWIFL-UEVCKROQSA-N 473.599 1.511 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760314053 SWUMJNQRAJYZBQ-WWMYMODYSA-N 451.593 1.413 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760515093 KNFZEYDPYPPURV-SFHVURJKSA-N 471.949 1.667 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1760524413 XDIDFLMXIDMWTO-HBMCJLEFSA-N 487.649 1.101 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCOC(C)(C)[C@H]1C 1760553834 JGQHGDVORVLBOS-MRXNPFEDSA-N 486.598 1.797 30 10 JDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1760653918 HYGAFXMYDHEVPF-LJQANCHMSA-N 471.587 1.205 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C2CC2)CCO1 1760673525 HABKCZIRYBSWMT-JTSKRJEESA-N 467.574 1.553 30 10 JDEE CCn1nc(-c2nnc(N3CCC(C#N)CC3)n2CCCS(C)(=O)=O)c2ccccc2c1=O 1765579622 CXHQTHRXAVMXLP-UHFFFAOYSA-N 469.571 1.850 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](F)(C#N)C1 1766944189 HPYLEAYJHBEOMA-OAHLLOKOSA-N 460.333 1.369 30 10 JDEE CC(C)Cn1cccc(C(=O)N=c2nnc(CCC(=O)Nc3ccc(C#N)cc3)c(O)[nH]2)c1=O 1860896198 IXPCLBBEQJLCOK-UHFFFAOYSA-N 461.482 1.512 30 10 JDEE CC[C@H](NC(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1)C(=O)Nc1ccc(C#N)cc1 1866656556 WFLWKXWQJBLEHA-PMACEKPBSA-N 489.575 1.666 30 10 JDEE CCOC(=O)N1CCN(C(=O)[C@H](C)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868783691 TZOHPOBTVYWPSW-FUHWJXTLSA-N 461.588 1.830 30 10 JDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2C1=O 1870158371 UJRCVNSOTILMRN-UHFFFAOYSA-N 456.418 1.764 30 10 JDEE N#Cc1ccccc1N=c1nc(N2CCC3(CC2)OCCO3)[nH]c(N2CCC3(CC2)OCCO3)n1 1871730450 CDBSBEQQBLKKAH-UHFFFAOYSA-N 479.541 1.595 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)[C@@H](S(C)(=O)=O)C1 2255665191 CFQRMOLUMXBCMO-KBXIAJHMSA-N 458.386 1.617 30 10 JDEE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)COC1 2255748946 LIEMCVFAXCSYFJ-UHFFFAOYSA-N 474.410 1.619 30 10 JDEE C[C@H](NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2255844287 UMWYXMVOSGKGEL-LBPRGKRZSA-N 453.370 1.542 30 10 JDEE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H](O)C2)oc1B1OC(C)(C)C(C)(C)O1 2267133742 GNIHEULQDPKRKG-HNNXBMFYSA-N 450.341 1.941 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)n1 2267149137 IOZLTRQSBRGJHO-UHFFFAOYSA-N 452.361 1.161 30 10 JDEE Cc1nc(C(=O)N2C[C@@H](O)C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267478240 VSBQOKSRAJLZBI-KBPBESRZSA-N 467.397 1.851 30 10 JDEE 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C#CCSCCn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1286513503 WKBRAQRKBGMIPU-YLJYHZDGSA-N 456.634 1.700 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1286580892 CGTKELPMAXAYIW-CNNODRBYSA-N 483.635 1.742 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1286587280 DXAHJDJJGVPPTM-GOSISDBHSA-N 482.628 1.955 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1286790249 PANNEUYVIMGTBR-UHFFFAOYSA-N 455.460 1.589 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@]1(O)CCO[C@H]1C 1288154253 BNYLQAWRHAYDOT-QMHKHESXSA-N 471.537 1.294 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCN1CCCCCC1=O 1288816355 CUKXTDNXBZARDG-KRWDZBQOSA-N 465.624 1.811 30 10 JDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1300402859 CPFZNVFNCRUCRK-WOJBJXKFSA-N 450.591 1.775 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1300489375 MWBOVSSSQJKZLZ-RBUKOAKNSA-N 487.626 1.931 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1300503784 FOMFPEDPXHGGPV-HLAWJBBLSA-N 474.583 1.332 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1300506059 MBAOBXANENHCBQ-XDNAFOTISA-N 479.628 1.889 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300506139 NJGUEGQVBDKBGI-LJQANCHMSA-N 468.583 1.502 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(S(C)(=O)=O)CCC1 1300545353 NXNSJIYXAJMTIZ-UHFFFAOYSA-N 494.665 1.683 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(Cl)cc1 1300578837 PWEVIEFSQKIXCN-FQEVSTJZSA-N 492.001 1.806 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccco2)N2CCCCC2)CC1 1300681691 YZJKRAOTWJUCMR-FQEVSTJZSA-N 453.591 1.992 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ncn(-c3ccccc3)n2)CC1 1300682146 HVVHBTROTVZYFP-UHFFFAOYSA-N 461.574 1.581 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1300700696 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CS(=O)(=O)c1cccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1302427086 GAKYNOYHKDMSNF-KRWDZBQOSA-N 477.612 1.913 30 10 JDEE CNS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1315066368 DXZXJNJWWWMSNO-MOPGFXCFSA-N 460.560 1.518 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1CC(=O)NCC(F)(F)F 1316085575 BKAKKSBDPYRFTA-UHFFFAOYSA-N 476.463 1.882 30 10 JDEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(C)(=O)=O 1358912898 AOWVFPOKNYMHGG-QGZVFWFLSA-N 469.608 1.871 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358955396 LDVIRQIRLNVVQU-FGTMMUONSA-N 472.571 1.225 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358956893 MAOLVQGEKBPVBA-PKOBYXMFSA-N 479.628 1.148 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358963050 BACSYIGNLJYPRT-CEXWTWQISA-N 493.630 1.808 30 10 JDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1358963105 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461.588 1.940 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCO[C@@H]1C 1540119151 ASGIENRIPFWTHL-JKSBSHDWSA-N 474.587 1.492 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540874298 BAFZHVDTPAYOQZ-SFHVURJKSA-N 476.603 1.246 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)C(=O)NC)c1 1587689876 RYOPFTNKXMCWPU-VWLOTQADSA-N 482.585 1.759 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1588035654 WNKAHPHDHBXXES-RXVVDRJESA-N 497.021 1.496 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1588041568 XYLZZIJEOCVPON-GOSISDBHSA-N 484.582 1.565 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](CC)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1588054627 OWKCDQDMSFQQPB-HBFSDRIKSA-N 489.573 1.853 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCn2cnnn2)CC1 1588751229 JQACYFIXFYQKAY-KRWDZBQOSA-N 455.954 1.904 30 10 JDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(OCC(N)=O)c2)CC1 1588857232 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C=CCN1CC[C@H](N(C)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)C1=O 1635209299 AUTFKJKQPBJPKA-IRXDYDNUSA-N 455.964 1.118 30 10 JDEE Cc1nsc(N2CCN(S(=O)(=O)[C@H]3CCCN(C(=O)C4CCCC4)C3)CC2)c1C#N 1669502014 CXRXWAKZIDEDAY-KRWDZBQOSA-N 451.618 1.956 30 10 JDEE C#CCC[C@H](O)CNC(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1679143622 NDNPAWHWVLJEDZ-KRWDZBQOSA-N 453.561 1.178 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1689984760 VEDOMCLFZMPGJI-HNNXBMFYSA-N 475.962 1.411 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1689985754 ATKAJJFXMUJPQX-PZJWPPBQSA-N 455.584 1.830 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689989053 ARNGCGOKWLRGQH-KZNAEPCWSA-N 481.619 1.712 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1690150729 SAKLEOMUJVVNRK-HXUWFJFHSA-N 455.651 1.470 30 10 JDEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CC#C)CC1 1690157288 CIQLEIUVGSVONZ-UHFFFAOYSA-N 471.656 1.668 30 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C#CCN(c1nnc(Cc2ccccc2OC)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1705570217 LSSOJRWPKPRIKB-AZUAARDMSA-N 458.584 1.931 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1705571151 WHCUQMSVCSFCIK-ZWKOTPCHSA-N 493.580 1.495 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Cc1cccs1 1705583400 XEWAZJCQNKBFEP-IEBWSBKVSA-N 461.613 1.624 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1705631644 LEMTXBSTSXRHLZ-HXUWFJFHSA-N 485.633 1.916 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCN(CC)S(C)(=O)=O)CC1 1705635637 FHDDIBXVXGHRFO-UHFFFAOYSA-N 458.632 1.934 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1705655270 JXDNBJHZTQKRMG-SFHVURJKSA-N 488.639 1.373 30 10 JDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705655288 KSOTXLQKXBKIMZ-UHFFFAOYSA-N 472.615 1.539 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705697183 STIXXYUXLVWACD-GGPKGHCWSA-N 494.639 1.953 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1705905975 NAKSDUFGAOIYIF-KRWDZBQOSA-N 466.546 1.534 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1705913273 JPWLVCVEHGHOQJ-SJLPKXTDSA-N 482.628 1.663 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@](C)(C#N)C1 1711420251 DOMXRIDKIYGXQT-NRFANRHFSA-N 454.560 1.810 30 10 JDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(Cc2cccs2)CC1 1722345706 RAFHAENFNKDHGU-MRXNPFEDSA-N 450.634 1.931 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1722358803 GFFNBZGRDVTNOO-IBGZPJMESA-N 468.583 1.979 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1722360403 GWVCDFGKQSYXIQ-IBGZPJMESA-N 453.572 1.952 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722362857 WQASVTFIFQXMHT-UFYCRDLUSA-N 474.631 1.410 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1722366562 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C=C(C)Cn1c(CC2CC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1760350003 MUPBQWLTSDCNCW-IXDOHACOSA-N 451.593 1.933 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(CC)C(=O)C1 1760428402 VLUBVVAAWINKMJ-QGZVFWFLSA-N 454.597 1.026 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760527119 NCTITSCIOIWJMX-UHFFFAOYSA-N 453.591 1.996 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1760528265 XICUUPIUZXSSFS-XMMPIXPASA-N 470.574 1.469 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@H](C)C1 1760554452 DUQUBJZOCXJGJL-KURKYZTESA-N 499.634 1.801 30 10 JDEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CCOC1 1765824722 BPUCPEXYLKDTPN-OFNKIYASSA-N 488.614 1.862 30 10 JDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1766877815 HWGDVSXVMMDKIK-UHFFFAOYSA-N 451.531 1.312 30 10 JDEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1769499441 DWARODAAZUMVTO-QFIPXVFZSA-N 497.600 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C[C@@H](CCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)N(C)Cc1ccccc1 2267711445 LFHAJUIHHVOKKA-KRWDZBQOSA-N 462.425 1.908 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268645019 DPJWNWZVUXQQBP-DZGCQCFKSA-N 451.304 1.829 30 10 JDEE CC(C)(C)OC(=O)N[C@@]1(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCOC1 2282346510 OEMVARWLJAEWLM-JOCHJYFZSA-N 482.408 1.948 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(Cc3ccccc3)CC(F)(F)C2)n1 2282654801 MAJYPRXANQEVDF-MRXNPFEDSA-N 461.322 1.754 30 10 JDEE CC(C)(C)OC(=O)NCC1(O)CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2282666814 ZWGTVTVUJZCDNI-UHFFFAOYSA-N 461.368 1.873 30 10 JDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N=c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)[nH]2)CC1 2283984669 ZAMYBQLFYFQZBM-UHFFFAOYSA-N 480.802 1.947 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2284010908 IEKRWWWJSDIGGT-MRXNPFEDSA-N 459.352 1.644 30 10 JDEE CC1(C)OB(c2cncc(S(=O)(=O)NCCN(CC(=O)O)Cc3ccccc3)c2)OC1(C)C 2284400202 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30 10 JDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1286697749 FAIRNZUIUCPGES-UHFFFAOYSA-N 451.531 1.453 30 10 JDEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286776785 AMRQSKGXBKWFJR-UHFFFAOYSA-N 454.575 1.641 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccccc2C)C1 1286818141 UKYMKZYBDCASDU-MSOLQXFVSA-N 481.644 1.791 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1286823433 NFMFXQRIRBKLTB-IAGOWNOFSA-N 480.660 1.789 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](c3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286825141 MLLFOILWYPNGBG-PGRDOPGGSA-N 478.619 1.647 30 10 JDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1293097296 FUGGPRRCTLNYGY-ROUUACIJSA-N 469.638 1.969 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCNC(=O)c1cc[nH]n1 1300318294 ZLYHPQRXQPYHIP-FQEVSTJZSA-N 475.601 1.254 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300495725 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1301569329 VXGKGKHSQZVPGC-MRXNPFEDSA-N 459.638 1.650 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1301585289 KYZHBNBQCRUDOB-SFHVURJKSA-N 478.619 1.059 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](N2CCCC2=O)C1 1301596032 FWPMZWLYCVHJHD-QWFCFKBJSA-N 479.647 1.999 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)C1 1301649850 BKORWOAOMVZNGA-GMAHTHKFSA-N 465.602 1.968 30 10 JDEE CCCc1nc(C)c(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)o1 1306611365 HBIIQJNYXPILTI-OXJNMPFZSA-N 481.554 1.350 30 10 JDEE C=CCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)CC1 1311894180 UNSYGRXCTGEISU-UHFFFAOYSA-N 452.577 1.370 30 10 JDEE CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)NC(C)C)C2)CC1 1313944492 CSYGAQJBAUETCA-JOCHJYFZSA-N 464.618 1.948 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(Br)cs1)[C@H]1CCS(=O)(=O)C1 1358961971 HQJFBTXRWNPCBR-ZFWWWQNUSA-N 498.428 1.728 30 10 JDEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1358963462 IOIGUOSGYXOIKJ-GHTZIAJQSA-N 473.599 1.758 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358965257 QXQDYGJVIXYCPK-RADWXHQJSA-N 462.547 1.175 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1358966525 QZRWWBUPBNUMOI-ZCNNSNEGSA-N 460.604 1.582 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1358994508 OVJKFFGCBXMENQ-YRPNKDGESA-N 463.604 1.278 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cn2)n1 1359028564 WRDCCKZFTOQERD-KRWDZBQOSA-N 487.561 1.245 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCCCN2CC)CC1 1359031679 LOGBLZNHDKXWDV-QFIPXVFZSA-N 499.685 1.825 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@](C)(O)CCOC)CC1 1359039934 BFDMPJRZONUNCR-GLDPYIMESA-N 476.622 1.592 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359090108 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C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cnc2ccccc21 1507537668 IWOQXZMVJDMMTP-QFBILLFUSA-N 457.560 1.119 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1507622715 LHZNRYBILCPLEJ-KRWDZBQOSA-N 472.571 1.369 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1507632715 PHCNBLHVOXQFTI-BBTUJRGHSA-N 467.661 1.584 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1507635193 UDDISFMCVAJAIX-AVRDEDQJSA-N 459.547 1.113 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1507641016 XTHSOWYABMGAGN-CQSZACIVSA-N 498.428 1.805 30 10 JDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1507775795 WRNDULCEIOLFRX-GOSISDBHSA-N 481.376 1.849 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@@H]1CCOC1 1508095010 KJJZEBKYTQYKCD-OAQYLSRUSA-N 453.591 1.170 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1508143139 DYEZJKHAVDVKRP-HXUWFJFHSA-N 471.587 1.659 30 10 JDEE CC(C)N1CCC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)CC1 1509546304 BDMIWJDQKLGHNO-SFHVURJKSA-N 474.631 1.921 30 10 JDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)N2CCSCC2)C1 1510288277 AMSLTVMSJUJEMX-NRFANRHFSA-N 475.644 1.773 30 10 JDEE CNC(=O)c1cccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)c1 1517490385 CGXKNTPKRQGPGA-DYESRHJHSA-N 460.535 1.224 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(N2CCOCC2)c1 1519162300 DAQMNAUYBMYBKH-HXUWFJFHSA-N 453.547 1.481 30 10 JDEE C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1 1523979389 GUOBCVWXVUIVMR-HNNXBMFYSA-N 458.544 1.933 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CCN(C(=O)OC)CC1 1539153926 CYENCABNNILVLE-UHFFFAOYSA-N 474.587 1.743 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1539229495 DZTSVDWNWYVFFY-ZUQCGGBESA-N 494.614 1.924 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCC2(C)C)CC1 1539480898 GCECOOVYGCWVAE-RTBURBONSA-N 461.632 1.972 30 10 JDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(=O)NC)C1 1539594540 LOSYOWDBWBQXIL-LBPRGKRZSA-N 451.325 1.877 30 10 JDEE C=C(Cl)Cn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539819778 IUYFIYSSMSHQNZ-AVRDEDQJSA-N 467.014 1.814 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC[C@@H]2CCOC2)CC1 1539847211 BLWBUWVHBGRATQ-OALUTQOASA-N 469.608 1.211 30 10 JDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1540861908 LCWKXJCGZJDSDH-LPHOPBHVSA-N 465.551 1.838 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](COC(C)C)C1 1540865256 ZKYDLAUQJAZFRT-GOSISDBHSA-N 477.587 1.281 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1540866928 FTFNMGIYHAMATE-KRWDZBQOSA-N 454.556 1.809 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ncc(F)cn2)CC1 1540899475 PTEZTQQWHDYKFV-UHFFFAOYSA-N 461.523 1.703 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](N2CCCCC2)C1 1540908078 PLJQQMCNGNVPNW-UFYCRDLUSA-N 467.636 1.668 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1 1541116003 HZFKONKESDEWDH-YOEHRIQHSA-N 452.968 1.909 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)s1 1543632160 XBVILZVNBDDNCY-UHFFFAOYSA-N 451.530 1.407 30 10 JDEE CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)NC(=O)OC(C)(C)C 1545991821 APKHKROKPCHPDG-MDOVXXIYSA-N 470.571 1.925 30 10 JDEE CCCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1547255931 DDXJKPVBEJGKMT-SFHVURJKSA-N 456.572 1.747 30 10 JDEE N#Cc1ccc(N2CCC3(CC2)CN(C(=O)c2ccc(O)nn2)C[C@@H]3C(N)=O)cc1C(F)(F)F 1548375478 MXHMWMFFGFLEQJ-MRXNPFEDSA-N 474.443 1.917 30 10 JDEE C#C[C@@H](NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C)C1CCOCC1 1557576641 AWACVWHEPUVUJQ-WIYYLYMNSA-N 450.557 1.695 30 10 JDEE CCn1c(Cn2nnc(-c3ccccc3)n2)nn([C@H]2C/C(=N/NC(N)=S)[C@@H]3OC[C@H]2O3)c1=S 1565535071 UNELMHJXMXOYRZ-WAOUGCGVSA-N 486.587 1.011 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1588069381 MPDMOZNPTRGRGE-CVEARBPZSA-N 479.653 1.649 30 10 JDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1588162243 OXVINNLSRGQMGO-UHFFFAOYSA-N 493.593 1.597 30 10 JDEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCOCC(F)F)CC1 1588752958 XSVUTGZRBTXMOP-UHFFFAOYSA-N 481.573 1.584 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1588930072 MRORYYMWLHYTJL-UUOWRZLLSA-N 455.534 1.795 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCCS1(=O)=O 1589171962 VJFNJTGPZKFQKQ-HSZRJFAPSA-N 489.598 1.999 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2cccc(OC)c2)CC1 1594961481 BOZFSKBLBQMMRL-LJQANCHMSA-N 461.588 1.974 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC)Cc1cnn(C)c1 1595537686 WDNSWZRINDEODT-UHFFFAOYSA-N 475.557 1.737 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1595544314 GXLPWRLPPFQWJK-MRXNPFEDSA-N 473.965 1.988 30 10 JDEE C[C@H](CC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1625913116 GQTFOZGFOCLKQG-OAHLLOKOSA-N 456.524 1.615 30 10 JDEE CC(C)NS(=O)(=O)c1cccc(CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 1686738008 GCBALKRMVNPUPP-INIZCTEOSA-N 457.560 1.455 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1690046928 IDSLPVGNAKTQFZ-XFGYDDDFSA-N 475.615 1.015 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccc(F)cc1 1690047344 OJYSXMFPZYSYFY-OFNKIYASSA-N 489.573 1.121 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccccc2OC)CC1 1690136193 AXTYQSZDFNOMTG-QGZVFWFLSA-N 488.614 1.105 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1690249632 ZZPHJOXWRYXOEO-WMZHIEFXSA-N 453.591 1.455 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1690470743 KHDNIULIRVPFDS-CVEARBPZSA-N 464.596 1.252 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1690508761 OZIVHKBYMIJLCM-SFHVURJKSA-N 465.620 1.754 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)CC1)C(C)C 1690581560 ULQIEHRZYRVUCI-ZWKOTPCHSA-N 450.609 1.163 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cccc(F)c1 1690672654 ZBBDSTLOBRHMFY-RTBURBONSA-N 492.577 1.394 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1690744365 NMOMIOHDHMVABY-GOEBONIOSA-N 454.622 1.140 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)(F)F 1705496094 ZNVDXEJIWFPEIL-KBPBESRZSA-N 474.484 1.723 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2nc(C)cs2)CC1 1705516700 HMODRXXOQONVQG-GOSISDBHSA-N 493.659 1.506 30 10 JDEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1705538730 YNPNPLSCELFQNN-QFIPXVFZSA-N 487.626 1.944 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1705562252 ZIUHVMDCHBZPCU-AUSIDOKSSA-N 492.573 1.753 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)N(C)C 1705613298 YBNBZNVXCVSNGC-PMACEKPBSA-N 460.604 1.373 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CCS(=O)(=O)NC)CC1 1705635702 HSSSLPJUPRKPQA-UHFFFAOYSA-N 484.582 1.422 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCN2CCN(C(C)=O)CC2)CC1 1705637397 VNVRAAZSMYOUHM-UHFFFAOYSA-N 495.628 1.272 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(C(=O)NCC)c2)CC1 1705642119 HRQMLDNKHKIMLW-UHFFFAOYSA-N 491.621 1.823 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(NC(N)=O)cc2)CC1 1705644144 ZFRKZUPWVCSNIW-ICSRJNTNSA-N 453.547 1.296 30 10 JDEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1705721293 UHTGSZKFSIEILM-BSDSXHPESA-N 499.634 1.705 30 10 JDEE C=C(Cl)Cn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OCC)CCOC1 1705760622 NPNHYHCCIXITPD-YWZLYKJASA-N 452.943 1.449 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1705819358 KAEILOCEAHYRQF-BZSNNMDCSA-N 498.650 1.927 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2C)C1 1705898035 ZCUFMUKIPDCLJR-SJLPKXTDSA-N 462.576 1.077 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1705939049 QPPJWLGJIZQIDM-NYDSKATKSA-N 494.589 1.840 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCn1cc(Br)cn1 1722274911 AQHDKENMNIZCLQ-KBPBESRZSA-N 472.413 1.786 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C(=O)N(C)C)CCCC1 1722346343 PCUDXIIJKFIVHQ-UHFFFAOYSA-N 472.615 1.913 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1722363187 DMQFCDUXFGHMDI-ARFHVFGLSA-N 462.519 1.053 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccnc(OC(F)F)c2)CC1 1722440420 GIRRUDATWVLZCA-UHFFFAOYSA-N 475.500 1.427 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3ncccc3c2)CC1 1722445178 SXGDJLNNIMIRRT-QGZVFWFLSA-N 495.609 1.451 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC2(N(C)C)CCOCC2)CC1 1722447708 MVBUYPKKJQDMNA-HXUWFJFHSA-N 458.607 1.596 30 10 JDEE C#CCSCCn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722463783 MWKKKYYHWIJIRF-DEOSSOPVSA-N 490.674 1.430 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCOC2(CCOCC2)C1 1722693048 BXYIZMALEIQLIX-UHFFFAOYSA-N 487.557 1.659 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1722726124 WKGAOIQKMORCMH-OAHLLOKOSA-N 495.005 1.129 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC(NS(=O)(=O)CCC)CC2)nnc1C(C)(C)C 1722731516 MQAJFLYEITXKSW-UHFFFAOYSA-N 461.654 1.475 30 10 JDEE CC1(C)CCC[C@@]1(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1724020579 CKXSTNXCVLPVTH-DYESRHJHSA-N 466.608 1.292 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(C)cn2)C1 1728680439 ADBXZZGDORSMLF-IBGZPJMESA-N 454.560 1.540 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCc2nnc(C)s2)CC1 1740697356 BHNVHLGASBTWOR-UHFFFAOYSA-N 485.639 1.897 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCC[C@@H]2OC)CC1 1740701204 XYTVMTYORAGJBW-QUCCMNQESA-N 458.607 1.977 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)C(C)C 1740923950 AFXUUKUESMIRGY-CJFMBICVSA-N 469.634 1.929 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN2CCOC[C@H]2C1)C(C)C 1740927167 SGEHZRIEVJAULB-FGZHOGPDSA-N 454.623 1.898 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1OC)C[C@@H]1CCCO1 1740946593 CGMHJSPBQBTMBP-PZJWPPBQSA-N 491.614 1.991 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740990083 HZMQSRVZSXWJQM-UHFFFAOYSA-N 473.603 1.587 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740993999 LTZYLSGRFGQGHA-UHFFFAOYSA-N 497.643 1.238 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1747425326 FBJJVUZTAGUSGT-MBSDFSHPSA-N 488.614 1.873 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1748802423 PSVAXACMCCDDSF-SFHVURJKSA-N 471.587 1.036 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccnc1OCC(F)F)[C@@H]1CCS(=O)(=O)C1 1748812521 VJFKXKNIJPKDNN-QGZVFWFLSA-N 491.524 1.393 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1748847159 OZXOSEKYZBOWOU-NZQKXSOJSA-N 481.622 1.522 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC(C)C 1748858079 LUKRQGYEZXXPPX-JOCHJYFZSA-N 485.610 1.767 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1c(C)noc1C 1749131982 WWLXQLVWYNTGAP-IHPCNDPISA-N 494.618 1.833 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1749629916 KOJCVEOBVJXOOP-SFHVURJKSA-N 466.608 1.026 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1749677157 PWUDBNRNSACHNP-UHFFFAOYSA-N 452.559 1.651 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)nnc1C(C)(C)C 1749740270 TUXCDNGPVNRXDG-UXHICEINSA-N 494.706 1.993 30 10 JDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1749753915 CHKHPAVATLTLJV-HSALFYBXSA-N 489.690 1.775 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CCS(=O)(=O)N(C)C)c1 1760127624 GQWBQRWIRTUALP-UHFFFAOYSA-N 472.615 1.958 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1760187585 WYRQCQSODLTASE-PZJWPPBQSA-N 459.591 1.977 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(C=C)cc1)[C@H]1CCS(=O)(=O)C1 1760187641 KSZIMMWGLQQFIC-PMACEKPBSA-N 453.568 1.742 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1760189469 JBODXGXCBLBEKA-GOSISDBHSA-N 475.546 1.477 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1760247503 DETIRQLVZZYARJ-UHFFFAOYSA-N 450.543 1.805 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccc2)CC1 1760352328 POCGFDUSXBMOQS-GOSISDBHSA-N 476.603 1.443 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCSC1 1760481512 AWUDXOYKNVTSOU-OXQOHEQNSA-N 451.618 1.949 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCSC1 1760481514 AWUDXOYKNVTSOU-UZLBHIALSA-N 451.618 1.949 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](COC(C)C)C1 1760520019 XVGHGUKUQIPCFF-SFHVURJKSA-N 457.531 1.649 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760556884 SPKNLDGJCYTASA-IBGZPJMESA-N 486.598 1.292 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)C1 1760580209 AJBQMXROVWGUQT-GOSISDBHSA-N 461.530 1.274 30 10 JDEE Cn1cc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)cn1 1767466770 GROPKAWLXPUOAY-FQEVSTJZSA-N 482.614 1.949 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1769368534 GJCGQHFHECRCPQ-SFHVURJKSA-N 485.545 1.948 30 10 JDEE C=CCN(CC=C)C(=O)[C@H](CC)NC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 1868642231 LNZONQRTCWJDJM-MOPGFXCFSA-N 468.597 1.356 30 10 JDEE C=CCn1cc(OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c(=O)cc1CN(CC)CCO 1870323684 CDACXJNFLBPTMH-UHFFFAOYSA-N 488.610 1.905 30 10 JDEE CC(C)N1C(=O)CS[C@@H](C(=O)NCc2ccnc(N3CCOCC3)n2)[C@@H]1c1ccc(C#N)cc1 1889422825 VMTRQAKGXITQTB-FCHUYYIVSA-N 480.594 1.895 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3COc4c(cccc4OC)C3)CC2)CC1 1889484674 JIOSMAXSWZNLQA-QFIPXVFZSA-N 455.599 1.895 30 10 JDEE C=CC1(NC(=O)c2cc(I)cc(I)c2O)CNC1 2075318503 JVUOJJBYWVUWEY-UHFFFAOYSA-N 470.048 1.859 30 10 JDEE CC(C)(C)OC(=O)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H]2CS(=O)(=O)C[C@H]21 2241031778 SFOBSWJDBXGUTF-DLBZAZTESA-N 479.408 1.604 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCc2csc(NC(=O)OC(C)(C)C)n2)n1 2267116448 ONYQNKHPFUGUTE-UHFFFAOYSA-N 464.357 1.848 30 10 JDEE CCn1cc(C(=O)N2CCOCCN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267183554 OGYDGXHYWWIELN-UHFFFAOYSA-N 450.345 1.827 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2267472591 SIEUCHSQZJABMC-HUUCEWRRSA-N 488.437 1.447 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC1CC(COCc2ccccc2)C1 2267707790 XXEQLGAWBMZUHJ-UHFFFAOYSA-N 462.381 1.388 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)[C@H](O)C(F)(F)F 2268719072 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CCNC(=O)C1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccccc3C#N)CC2)CCC1 1515971332 DKEYNWQYYHPLQV-UHFFFAOYSA-N 478.601 1.921 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)COCc1ccccc1 1539177844 BXDBGFPONKZPIP-AZUAARDMSA-N 461.588 1.533 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1539220407 RXXOGPRWMJDLFH-IRFCIJBXSA-N 476.574 1.686 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1539477634 TYYHSKUUYBQAJQ-NRFANRHFSA-N 468.606 1.001 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1539482650 NTVCZWSGHKIIAM-OAQYLSRUSA-N 495.647 2.000 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1540036836 VHVUYTLWANGCLY-MOPGFXCFSA-N 453.609 1.074 30 10 JDEE C=CCn1c(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1540860989 XJZBZRFNQLATFL-HSZRJFAPSA-N 460.579 1.057 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1540875169 CUYJIWHERKDHTQ-SFHVURJKSA-N 474.993 1.971 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1540902220 DAUJTQAYBSBXCG-PMACEKPBSA-N 478.619 1.492 30 10 JDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1540918074 JBIIDAOFXSAOFU-QGZVFWFLSA-N 453.576 1.715 30 10 JDEE C#CCN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@H]1CCOc2ccc(Br)cc21 1543685683 LSXZUIHZACDPRT-INIZCTEOSA-N 457.284 1.959 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN(C)C(C)C 1545916371 DTYOJMCKEASZGG-UHFFFAOYSA-N 484.653 1.777 30 10 JDEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CCOC1 1547863891 BRPXZINAGQNCIA-UGKGYDQZSA-N 459.572 1.873 30 10 JDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1552733754 HQYGNOBIMBUTFT-GOSISDBHSA-N 451.531 1.408 30 10 JDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C2CC2)N(C)C)CCN1S(C)(=O)=O 1555953727 DUBPHMRBDZBJAY-JXFKEZNVSA-N 457.604 1.627 30 10 JDEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2OCC(F)(F)F)CCO1 1555992879 DAZBTERPONAEDD-LSDHHAIUSA-N 450.421 1.947 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)CCOC 1587640262 QJVGOEFKRHYJAR-MSOLQXFVSA-N 450.584 1.623 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CC(F)(F)CO2)c1 1587693654 VHDBSCFDLBJRHV-DLBZAZTESA-N 458.469 1.710 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1588025014 RAKBWQWXLLRPEQ-PKOBYXMFSA-N 489.573 1.747 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1588028978 BJTAYSKMAQBYIM-HXUWFJFHSA-N 481.582 1.740 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588029982 NLXNWWUHIDJHNK-LJQANCHMSA-N 478.663 1.698 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1588041765 ZZWRQHWOSBKGHE-QGZVFWFLSA-N 459.963 1.894 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC(=O)N1CCOCC1 1588082856 AWJJOUWDPXPRIV-LJQANCHMSA-N 451.527 1.748 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCNC(=O)c1cc[nH]n1 1588189430 JDNRMIHLZBKGKE-UHFFFAOYSA-N 453.510 1.951 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@](C)(O)C2CC2)CC1 1588891751 STBADWOQWWSLPJ-ZEQRLZLVSA-N 459.591 1.446 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2(C(=O)NCC)CCC2)CC1 1588930217 QHJOSAGRXGCMDK-IBGZPJMESA-N 456.591 1.444 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H]2CCC[C@@H]2N2CCCS2(=O)=O)CC1 1588947316 NRUIGUYURVTEOQ-MOPGFXCFSA-N 462.620 1.011 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1589069251 JGCZSPVUKSZHLS-SJORKVTESA-N 453.634 1.240 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(=O)OC)C1 1589070291 RVSUOHMZDMFHTF-DLBZAZTESA-N 479.603 1.952 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1589109628 HSMYCWOTJFTPJV-UHFFFAOYSA-N 484.674 1.641 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(OC)ccc1OC 1589215824 FCZCPRZXLLJCCP-NFBKMPQASA-N 489.598 1.669 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1589528368 GASLUJIFIXQTTP-QYZOEREBSA-N 453.609 1.625 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccnc(SC)c2)CC1 1594097366 RXKGFXFBAKAJMI-KRWDZBQOSA-N 464.617 1.933 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1594812475 GPUTYNUOJFMQEN-IRXDYDNUSA-N 451.593 1.268 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CN2CCCC2=O)cc1 1594963649 WDGGCFWVNCPVPP-FQEVSTJZSA-N 488.614 1.404 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(COC)cc1)C1CC1 1595058577 PVUOARGJWFYESI-HXUWFJFHSA-N 461.588 1.961 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CCCS2(=O)=O)C1 1595699108 BYJZBIZAOWQNHU-SFHVURJKSA-N 477.587 1.779 30 10 JDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)COc3ccc(C#N)c(C)c3)CC2)c1 1613749885 HFGGAYNRYNBWRZ-UHFFFAOYSA-N 459.524 1.796 30 10 JDEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1619722915 DVLILMNWQXOMQW-NRFANRHFSA-N 467.574 1.366 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)s1 1634405556 CJPDLCFKHDNCRW-UHFFFAOYSA-N 453.508 1.672 30 10 JDEE C=CCOC[C@@H](NS(=O)(=O)c1cc(Br)cc(C(=O)OCC)c1)C(=O)OC 1661653599 NJPDSVRVMQLPOP-CQSZACIVSA-N 450.307 1.648 30 10 JDEE COc1cc(OC)cc(N2CC[C@H](NC(=O)N3CCN(c4cc(C#N)ccn4)CC3)C2=O)c1 1680159750 IDJCWEIUKPJTCP-FQEVSTJZSA-N 450.499 1.608 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1689982613 QRWIJOGKLJWSMY-DENIHFKCSA-N 476.603 1.152 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689987888 DUUBTMZSLMLJOC-QGZVFWFLSA-N 471.587 1.010 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1690148485 ITECBKFXUPLQMS-DEOSSOPVSA-N 471.005 1.555 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCn2c(nc3c2CCCC3)C1 1690156531 XWTRNCHOVAURMP-HNNXBMFYSA-N 463.633 1.350 30 10 JDEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690277080 BBMJAYNHZRODAN-UHFFFAOYSA-N 454.531 1.466 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690667177 SLEMZZOAFXQBJB-UWJYYQICSA-N 486.020 1.890 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C)C(=O)C1 1690714821 VZGZVSAOFQPQFJ-UHFFFAOYSA-N 460.560 1.026 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1690723670 XYZLDYWDVFESEP-IEBWSBKVSA-N 459.572 1.833 30 10 JDEE CC(C)N(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)C 1692484231 FUQKNRQPYMKGKI-FQEVSTJZSA-N 465.606 1.941 30 10 JDEE CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1694221189 AVLNMPIDHYPTPA-KRWDZBQOSA-N 468.562 1.495 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCC2=O)CCO1 1696961847 DTJKZESRHSVJKV-IBGZPJMESA-N 451.531 1.171 30 10 JDEE COC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)OC 1697762319 HSUXGNFIPOPARH-NHCUHLMSSA-N 467.574 1.475 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1698482602 FQMQNTKWNBXCDP-YWZLYKJASA-N 480.953 1.738 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)C(=O)NCC)c1 1705505144 JVEGGTIVXKNBHD-GOSISDBHSA-N 465.558 1.448 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1705509641 IIPSFFNRKJNWDM-CVEARBPZSA-N 465.580 1.776 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(C)(C)CN(C)C)CC1 1705646247 UWABWPXASQHJGJ-UHFFFAOYSA-N 490.616 1.474 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2nnc(CC)s2)CC1 1705651479 YFWCAYCVTAWIDE-UHFFFAOYSA-N 467.603 1.568 30 10 JDEE C#CCSCCn1c(N2CCN(Cc3cc(C)no3)CC2)nnc1[C@@]1(OCC)CCOC1 1705665225 NLLIMFQREMBSAY-JOCHJYFZSA-N 460.604 1.915 30 10 JDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1705829220 KRMJCXCXMBLFNB-IBGZPJMESA-N 456.522 1.810 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cs2)CC1 1705830392 OJJUHXIVPCRRDN-QGZVFWFLSA-N 466.633 1.864 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1705830564 SGJNFDOBVHMSHI-OALUTQOASA-N 464.592 1.183 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCCN(C(=O)C2CC2)CC1 1705908808 VVNIRLFHGSQWFY-UHFFFAOYSA-N 456.522 1.747 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2OCC)C1 1705926035 XMEWLLYNGVMETA-CTNGQTDRSA-N 491.614 1.839 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1705937351 RAOIQYXGMMBBCF-PMACEKPBSA-N 457.600 1.912 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC(O)CC1 1706072785 HLYVCFLMGWGOPD-DYESRHJHSA-N 451.575 1.830 30 10 JDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)C1 1712691798 CTBFHOCMMFJXLU-PMACEKPBSA-N 458.588 1.287 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CN1CCCCC1 1722296623 SPZFDLPTVLDGJP-QYZOEREBSA-N 452.625 1.191 30 10 JDEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722333574 LVIYLWLMZACIKW-QZTJIDSGSA-N 460.579 1.757 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722358868 MWVSQLFXYKDHKM-QGZVFWFLSA-N 463.535 1.239 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1722362831 WPABOEYDQLEHEH-GOSISDBHSA-N 454.556 1.867 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC)c(OC)c1 1722384216 OLAWKTTUQRBMMV-NRFANRHFSA-N 487.582 1.139 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cc(C)nn1C 1722419475 AESVUVFDWGMGHD-UHFFFAOYSA-N 471.587 1.372 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCn2cc([C@@H]3CCOC3)cn2)CC1 1722428996 FEUMIAQTQHPAIW-LJQANCHMSA-N 468.606 1.352 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1722436379 FILFNZPRCYECAW-LJQANCHMSA-N 473.599 1.410 30 10 JDEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCNC(=O)CC1 1722482344 ALEYAAVDJHWKMM-UHFFFAOYSA-N 458.320 1.427 30 10 JDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1722627271 JVOJXIFASCRQIP-NHCUHLMSSA-N 460.623 1.898 30 10 JDEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCS1(=O)=O)C1CC1 1722651680 YBVQCUJRYBKCNU-GOSISDBHSA-N 496.634 1.777 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1722696418 MRYGDTWYZVPQPW-IBGZPJMESA-N 454.575 1.805 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccccc1 1722727196 GSJMAZVBRUXGKH-IEBWSBKVSA-N 497.643 1.409 30 10 JDEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1729828960 HCOAFAOTSPUDJA-YLJYHZDGSA-N 474.587 1.482 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CCC(=O)N1CCOCC1 1730750001 GPSRAHDXKSKOKF-UHFFFAOYSA-N 476.541 1.509 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1740619280 HFJPQBWOWGDOFK-QZTJIDSGSA-N 460.556 1.768 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCC1CC1 1740676409 BQYVXUXNOSLAKU-GOSISDBHSA-N 459.547 1.485 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(OCCN(C)C)cc2)CC1 1740688415 FUAIAWNNFRNSCU-UHFFFAOYSA-N 479.629 1.452 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCO[C@@H]2CCOC2)CC1 1740693402 XNSIYIPJEMXWOQ-QGZVFWFLSA-N 463.380 1.987 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1740699319 BNKUEBTUDFTUEB-JOCHJYFZSA-N 487.402 1.853 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCN/C(O)=C1/N=CC=CC1=O 1740733430 CPZPRYJWIOBMDB-QFHABUONSA-N 479.566 1.788 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1740809465 IEYBSJIQSBQAIM-INIZCTEOSA-N 464.979 1.801 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(F)F)CC1 1740954950 JTLZDGFUNXLKBB-UHFFFAOYSA-N 450.490 1.652 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(F)(F)Br)C1 1740981577 PPLVISWPGDXXID-NWDGAFQWSA-N 455.325 1.949 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1740991593 ACSZCEIXUKIVIO-IIBYNOLFSA-N 450.536 1.620 30 10 JDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1747447365 BEWUVFCKMCABHR-WOJBJXKFSA-N 490.586 1.052 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748649693 SACVIWWOUJRAPE-OLZOCXBDSA-N 455.382 1.775 30 10 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C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1286487368 VJUDOTGNWHPQDZ-PKOBYXMFSA-N 465.558 1.442 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN(CC)C2CC2)CC1 1286487832 PTAUJJCHDHOWDJ-UHFFFAOYSA-N 498.653 1.799 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1O 1286557447 VKNLZPHSODVLID-TYPHKJRUSA-N 491.614 1.934 30 10 JDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)C(=O)C1 1286592797 WJILGFNKZRTUDS-QGZVFWFLSA-N 464.567 1.458 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1286884901 YZQLIZOWNAGNEY-VHXPQNKSSA-N 493.568 1.669 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1CC(=O)NCC1CC1 1291194823 FMHXIQCLVPUQAG-MRXNPFEDSA-N 451.579 1.770 30 10 JDEE N#Cc1c[nH]c(C(=O)N2CCN(CCS(=O)(=O)c3ccc(Br)cc3)CC2)c1 1293605721 AMZFEQQZNVBEGP-UHFFFAOYSA-N 451.346 1.881 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CC2(O)CCS(=O)(=O)CC2)c1 1300334286 KSDGWQJQQITARG-UHFFFAOYSA-N 473.599 1.473 30 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482.632 1.782 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccnc2N2CCOCC2)CC1 1301066488 QMXTVIZUYVWCQZ-KRWDZBQOSA-N 461.592 1.325 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1301509663 KNWQFDPTEGGQKK-UHFFFAOYSA-N 462.602 1.811 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1 1301526750 QTWLOKGRZHMCET-FQEVSTJZSA-N 495.584 1.016 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CC2(O)CCS(=O)(=O)CC2)C1 1301556665 LGPBMBLLNTWPIW-HXUWFJFHSA-N 460.600 1.898 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1N(C)CCCC1(C)C 1303404846 DJSKDFYJXSDJGG-UYAOXDASSA-N 494.648 1.913 30 10 JDEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)CC1 1313998935 FJYXLFKPAUVQJX-UHFFFAOYSA-N 464.534 1.262 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2C)C1 1314000722 BOKOEIABVQPCHR-IBGZPJMESA-N 454.560 1.425 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1358967853 UMBWQFDRDSVPGE-WMZHIEFXSA-N 474.583 1.598 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN(C(C)=O)C2)n1 1359027318 FCSHLJVVLLJWJM-NRFANRHFSA-N 496.616 1.255 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1359036507 YBDXNBJAIQBTGX-FQEVSTJZSA-N 481.557 1.855 30 10 JDEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCNS(C)(=O)=O 1359078475 DEVNRUHCIHJVDZ-UHFFFAOYSA-N 492.421 1.243 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1359215825 JVIZHOPAVNXUJT-GOSISDBHSA-N 484.623 1.492 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1359291434 PXONAEWJNKIAGF-MRXNPFEDSA-N 462.576 1.319 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC2CC2)CC1 1359293440 PWVKRDSQGDRIIX-UHFFFAOYSA-N 462.396 1.880 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 1471451475 TYMMPISUVJGNHP-GOSISDBHSA-N 450.561 1.254 30 10 JDEE CN(C)C(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1503370173 BXFFZKZDYFZYPJ-UHFFFAOYSA-N 459.514 1.212 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1507634638 OJHHMKYQJKBAOM-GOSISDBHSA-N 457.535 1.317 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1507699647 HZJXRKRVNMKSRI-LJQANCHMSA-N 469.546 1.938 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1507724002 CPICKRLRBYVRIZ-SFHVURJKSA-N 460.579 1.045 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)c2ccccc2)CC1 1507728955 CCEPLTIAQBJAMU-FPOVZHCZSA-N 472.615 1.170 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1507935482 QINRQBLQHICJHQ-QYZOEREBSA-N 454.641 1.886 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1508075983 WRRCJCURBJEONC-HNNXBMFYSA-N 459.352 1.514 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2nccs2)C1 1508128350 XMBIOLBSSLVODM-IAGOWNOFSA-N 482.632 1.482 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1508139697 IRCXZSJYBPYBSP-INIZCTEOSA-N 492.602 1.348 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C)C1 1508141569 NICCQTYTEMXHPD-QGZVFWFLSA-N 461.592 1.278 30 10 JDEE CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1509085551 HMHSWRHYWNOCGP-UXHICEINSA-N 458.588 1.959 30 10 JDEE CCOCc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)cc1 1516438707 GPHCSAJUZZRYCS-UGKGYDQZSA-N 492.577 1.638 30 10 JDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1539172167 UOXFPMCLXMSAFI-UHFFFAOYSA-N 454.556 1.712 30 10 JDEE C#CCN(c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1539210687 DDWDGJSXZCURFK-CHWSQXEVSA-N 498.428 1.674 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1539212726 XLLKHIBIASKSLE-GHTZIAJQSA-N 452.584 1.928 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCS(=O)(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539216667 VJMBTKDBDABIGM-OAHLLOKOSA-N 453.590 1.113 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1539315438 MMXSIOZIRYSXEI-UHFFFAOYSA-N 464.551 1.882 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)NC(C)C 1539361757 DARCOKREZPUSBS-UHFFFAOYSA-N 471.587 1.462 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCCC1 1539369675 NZGRQCJKWGYQLU-GOSISDBHSA-N 453.609 1.667 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2c(CC)noc2C)CC1 1539469263 QGDPSWYTMLRDCQ-DEOSSOPVSA-N 470.574 1.803 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1540874979 XWIWYGFRKRZKLV-OAQYLSRUSA-N 468.602 1.935 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1540899739 YSOZAQSKXZXMBO-INIZCTEOSA-N 450.952 1.413 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(C(C)C)nc3c2c(O)nc(=O)n3CC)n1 1556460807 DOSQVUBQMHLQKO-UHFFFAOYSA-N 452.515 1.759 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(OC)c1 1587990325 VKGPHQZEEPTHCY-VQIMIIECSA-N 463.560 1.157 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1588074649 PJYSHZWQOROVJH-RBUKOAKNSA-N 450.536 1.968 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(NC(C)=O)cc1 1588647251 SOZVHKSPSNJKKJ-IBGZPJMESA-N 459.572 1.467 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(F)ccc2F)CC1 1588985648 WFSBPVXILBIOCW-HNNXBMFYSA-N 484.598 1.860 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1593636612 OEAGYAMMDVJIBG-RTBURBONSA-N 465.551 1.904 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1595501366 RAOVNTFCTXGQJD-UHFFFAOYSA-N 490.612 1.644 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCOC2)C1 1595648775 IIKFEUSKRVFSOG-JTSKRJEESA-N 477.587 1.497 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1618839614 BJLWBKUATOKFKP-KRWDZBQOSA-N 473.603 1.055 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)[C@H]2c2c(C)nc3ccccn23)c1 1633113532 GSUOTLIORBBCHS-HXUWFJFHSA-N 453.524 1.420 30 10 JDEE C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 1642589166 APNPTVMFNLEJFJ-IBGZPJMESA-N 456.568 1.678 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCC2(O)CCN(Cc3ccccc3)CC2)cc1 1651037990 QFYPKIDSTIJPTD-UHFFFAOYSA-N 455.580 1.745 30 10 JDEE C=CCN1CC[C@H](N(C)S(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)C1=O 1661659833 QGDHJHRIUHCIET-GBESFXJTSA-N 451.545 1.071 30 10 JDEE C#CCOc1ccccc1CNC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1679245297 ZFOGMALWKXYNMG-UHFFFAOYSA-N 457.508 1.342 30 10 JDEE C#CC[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 1684424551 BYRMSOBANJEJIM-KRWDZBQOSA-N 453.561 1.538 30 10 JDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1689937419 ZEQXHXQREWJZEC-UHFFFAOYSA-N 463.586 1.252 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCN1c2ccccc2C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1689978025 KAJNWFRTVBXTMT-AZUAARDMSA-N 484.626 1.494 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1690017622 HXEJKXRVMLAHNM-IBGZPJMESA-N 467.599 1.350 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[C@@H]2CC)CC1 1690136240 CFTKQYYYWJOEER-JENIJYKNSA-N 464.636 1.680 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@]2(O)CCCC2(C)C)CC1 1690138179 UOXDUTQSAQJXRP-LOSJGSFVSA-N 473.618 1.837 30 10 JDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](CNC(C)=O)C1 1690169604 IFIZBUWHXXXPGI-GOSISDBHSA-N 489.671 1.957 30 10 JDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1690311905 XEFIYGDVWDNFCH-RTWAWAEBSA-N 460.623 1.898 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1690670514 DAJHOGUSOQXZMC-WBVHZDCISA-N 495.627 1.083 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1690672494 UCTCQFSVKIZCAQ-UHFFFAOYSA-N 459.639 1.596 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)c1ccco1 1705488552 CNAGYCVGZHWVGK-HNNXBMFYSA-N 455.544 1.719 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccn(Cc2ccccc2)n1 1705495128 KWUUIHLDWLRRSQ-RXVVDRJESA-N 483.598 1.362 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 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C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1722733077 WRURNDHVBOGIJG-INIZCTEOSA-N 476.632 1.401 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2nccs2)c1 1740561414 FHHUMPZLRLTKLW-OAHLLOKOSA-N 487.611 1.644 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1740616047 QUONHPDNDHPODT-FQEVSTJZSA-N 457.600 1.903 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1740629414 MRAUAIZBQDQFGT-SCTDSRPQSA-N 479.628 1.750 30 10 JDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](CC(C)C)N(C)C)CC1 1740695043 BFJXIQHMKJPXBB-HXUWFJFHSA-N 486.690 1.970 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCCC=C)CC1 1740695901 HDHUZXVVCIAHIH-FQEVSTJZSA-N 474.606 1.934 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CC(C)(C)CN(C)C)CC1 1740706284 RKEBGRVSANTKQK-UHFFFAOYSA-N 469.590 1.559 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCOC[C@@H]2C)CC1 1740708595 VPKTUFJZDXVHCO-UWJYYQICSA-N 453.591 1.778 30 10 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459.572 1.005 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1749020203 OCSWVHVFKLNQCC-UHFFFAOYSA-N 456.620 1.326 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCO[C@@H](C)C1 1749067105 POQVKRRLGGLSSY-SXWKCWPCSA-N 494.662 1.104 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(F)(F)F)C1 1749103900 GPUKOYWRLWRWMD-MNOVXSKESA-N 459.288 1.856 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1749650692 FKMYUVUHTAMFKN-SJORKVTESA-N 470.530 1.760 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1749658372 OJQWRMYFMLHHGO-KRWDZBQOSA-N 491.478 1.771 30 10 JDEE C=CCNC(=O)Cn1c(N(C)Cc2nc(O)c3ccccc3n2)nnc1[C@@]1(OC(C)C)CCOC1 1749681481 CJUQVZAEYLGQPD-XMMPIXPASA-N 481.557 1.906 30 10 JDEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749689436 JBMGRWGCCBXXCU-UHFFFAOYSA-N 470.574 1.601 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nccc(C(F)F)n2)C1 1749711646 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1.628 30 10 JDEE C=CCn1cc(OCC(=O)NCCc2ccc(OC)cc2)c(=O)cc1CSc1nnnn1C 1870176964 QJPWFGAVQVRNDN-UHFFFAOYSA-N 470.555 1.596 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CCO)c(CN3CCCCC3)cc2=O)nc1C 1870323069 GKJRCISCVGOIOT-UHFFFAOYSA-N 490.582 1.952 30 10 JDEE C=CCn1cc(OCC(=O)NCCc2ccc(OC)cc2)c(=O)cc1CN1CCC(CO)CC1 1870642875 DVJPFEBEQLOVIH-UHFFFAOYSA-N 469.582 1.985 30 10 JDEE N#Cc1ncccc1OC1CN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)C1 1892018272 JYSIQLMURYHCOB-UHFFFAOYSA-N 451.302 1.284 30 10 JDEE C=CCC1(NC(=O)[C@@H]2[C@@H](O)[C@@H](O)CCN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2080886170 GPFKTJUCEYGMBS-JYJNAYRXSA-N 455.552 1.399 30 10 JDEE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)CC1(C#N)CCOCC1 2118166280 DCHQZBDLJKUYOM-UHFFFAOYSA-N 490.623 1.988 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2206631255 WAGFSOQBECUBCF-UAGQMJEPSA-N 463.340 1.051 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255630719 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Cn1ncc(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C2)c1B1OC(C)(C)C(C)(C)O1 2282068129 ZADBQZLIDZAUAV-CWRNSKLLSA-N 464.372 1.113 30 10 JDEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@H]2OCC[C@H]21 2282093615 FUKWCZOWCLPYNO-NUEKZKHPSA-N 462.356 1.606 30 10 JDEE CN(C[C@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1)C(=O)OC(C)(C)C 2282333659 REVDSDPTPMTKJI-OAHLLOKOSA-N 484.428 1.597 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282498268 BAXHPTGMBNXEMJ-GJZGRUSLSA-N 484.428 1.738 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)n1 2282504814 VCLUKYRHHXZLHE-GDBMZVCRSA-N 484.428 1.691 30 10 JDEE CC(C)(C)OC(=O)NCCn1cc(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)nn1 2283975374 YFMXMHGEUQMIPG-UHFFFAOYSA-N 458.328 1.749 30 10 JDEE Cc1nc(NC(=O)[C@H]2CC[C@H](O)CN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2284128418 GWKREOBLLONASF-GOEBONIOSA-N 462.356 1.783 30 10 JDEE CC1(C)OB(c2c[nH]nc2C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)OC1(C)C 2298373927 LODUXJJLDICGJM-RYQLBKOJSA-N 452.320 1.848 30 10 JDEE CC1(C)OB(c2cnc(C(=O)N3C[C@@H]4C[C@H]3[C@@H]4NC(=O)OCc3ccccc3)nc2)OC1(C)C 2312855075 UFFNUISGAPODSK-YTQUADARSA-N 464.331 1.915 30 10 JDEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2315564640 LENPMCJMHGCUMN-UHFFFAOYSA-N 453.370 1.808 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCON(C(=O)OC(C)(C)C)C2)n1C 2337190400 NJMODQODHBZDQB-CQSZACIVSA-N 450.345 1.699 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCOC[C@H]2CNC(=O)OC(C)(C)C)n1C 2362334465 YAZIOIMTMUJCCQ-OAHLLOKOSA-N 464.372 1.393 30 10 JDEE COc1ccccc1NC(=O)CSc1nnc(N/N=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)n1N 21326756 LPWUATCOSDLICM-ZVBGSRNCSA-N 488.486 1.800 30 10 JDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 105285862 HQVZFXIDISTJGB-SFHVURJKSA-N 457.531 1.842 30 10 JDEE CCOC(=O)C1=C(N)n2c(sc(=Cc3ccc(O)cc3)c2=O)=C(C#N)[C@H]1c1ccc(O)cc1 254708998 YGDAZDBNHJGUDJ-LJQANCHMSA-N 461.499 1.312 30 10 JDEE NC(=S)NN=Cc1ccccc1OCCOCCOc1ccccc1C=NNC(N)=S 263630749 VBWVJMLCYFEVGU-UHFFFAOYSA-N 460.585 1.495 30 10 JDEE N#Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)ccc1F 488914454 NLXFVKXCCSTQMI-UHFFFAOYSA-N 463.434 1.810 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OCC)c(=O)n1C[C@H]1CCCO1 500520785 YLMVMRXJNMCJPY-QGZVFWFLSA-N 484.534 1.201 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2Cl)c(=O)n1C[C@@H]1CCCO1 609323756 YQROYFNFLRBJAL-HNNXBMFYSA-N 489.981 1.565 30 10 JDEE Cc1ccc([C@@H](CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)N2CCOCC2)o1 1220820290 FZXZYYSRUWOSAS-NHCUHLMSSA-N 451.527 1.933 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1286380386 BXHVWQBMTFROJJ-VAWZGJIGSA-N 478.615 1.538 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CC1CCN(CCN(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1286382490 AXDUYCLOIKYNCX-FQEVSTJZSA-N 464.680 1.476 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 1286385356 WVCLNTDMLYVNBV-NRFANRHFSA-N 482.610 1.290 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1286386811 HVIOTBMGIGOFLO-OAHLLOKOSA-N 458.569 1.789 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1286388071 XQSACUPVWITMKA-YESZJQIVSA-N 464.975 1.765 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1OC 1286408262 BAPKFTMTVMQUSL-RXVVDRJESA-N 487.582 1.160 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1286499000 CPWNHGHNTWHLIL-GOSISDBHSA-N 473.624 1.916 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286546582 JYMQNHOJAFYHJK-NXHRZFHOSA-N 453.609 1.801 30 10 JDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286712547 BYQWYVPJKJSESX-HNNXBMFYSA-N 454.622 1.697 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCc2ccccc21 1286726631 GZHDINNAJXYMHG-FXAWDEMLSA-N 460.604 1.684 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286781437 RFGPAADWLDITSH-KRWDZBQOSA-N 495.005 1.177 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ccccn2)CC1 1286782231 OQKJXMFDTVXJIK-UHFFFAOYSA-N 481.582 1.372 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1286790675 VLSBIVHAGHGAIN-SFHVURJKSA-N 459.620 1.485 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)C(C)C)CC2)cc1 1286795086 WDBICVYKGAKYME-SFHVURJKSA-N 490.630 1.806 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(N(C)C)Cc3ccccc3C2)C1 1286799934 CIYAKVDWNOZHPM-NQIIRXRSSA-N 488.658 1.769 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286822391 CWWTYUXFAWRUCV-QFIPXVFZSA-N 459.572 1.625 30 10 JDEE CC(=O)N1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 1286857901 AYVXZFIVTIRDRH-ICSRJNTNSA-N 456.572 1.699 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@]2(CCOC2)C1 1300410863 CLSJEPTVFVZBCT-MBSDFSHPSA-N 461.563 1.996 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1300483594 KUBLSZFACKEDSR-JKSUJKDBSA-N 457.622 1.095 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(CS(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1300491219 FEUDRJRNYIINLM-HXUWFJFHSA-N 476.624 1.765 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300496867 VPDRLOYWIVJRNF-MSOLQXFVSA-N 481.619 1.714 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCN(C)CCOC)CC1 1300710572 HANGCPAZIZOCID-BGYRXZFFSA-N 475.638 1.382 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1300732328 AOEGMGFNEPPGKS-DNVCBOLYSA-N 457.622 1.029 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1300756158 GWMQDTUZPAEFED-GOSISDBHSA-N 488.639 1.415 30 10 JDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300763769 SFKCLOJWWAAADE-NRFANRHFSA-N 484.626 1.804 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1301137227 OAFXZAIJSXUTQO-INIZCTEOSA-N 490.634 1.311 30 10 JDEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1301244950 ATCLUIFLAUQHKW-UHFFFAOYSA-N 458.563 1.420 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(CC)n1 1301404625 PIVWEWLOOFCMGA-INIZCTEOSA-N 452.606 1.857 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C1CC1 1301576082 RMWSMTHLYBCCAD-UHFFFAOYSA-N 453.590 1.395 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1301587286 YCVXBFXGUNFZPO-MOPGFXCFSA-N 470.555 1.280 30 10 JDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1301727283 AKGAAPAVFJLUPO-NRFANRHFSA-N 487.630 1.399 30 10 JDEE C[C@@H]1OCC[C@@]12CN(c1nnc(-c3cccc(C#N)c3)n1CC(=O)NCC(F)F)C[C@@H](C)O2 1305149437 BQINGUNZSMWBIB-ZCCHDVMBSA-N 460.485 1.971 30 10 JDEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1(C(N)=O)CCOCC1 1314405528 DIRPFUWDKAPJPV-IBGZPJMESA-N 454.531 1.546 30 10 JDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)CCO1 1315949200 AQMHQDKDDARATM-GTJUCTONSA-N 459.572 1.882 30 10 JDEE C#CC[C@@]1(C(=O)N2CCN(S(=O)(=O)CCCOC)CC2)CCCN1C(=O)OC(C)(C)C 1355939194 SFTLACIEYFLXDZ-NRFANRHFSA-N 457.593 1.290 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1ccccc1CC 1358929585 CZRBRWIZPQWZTA-HXUWFJFHSA-N 488.614 1.662 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Br 1358948709 JFNMKSCOCZMGHL-INIZCTEOSA-N 468.377 1.491 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1358958815 WKMRDZPYEXYSAZ-OALUTQOASA-N 494.639 1.790 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1358959531 LALOPTGUJHWXAR-DFYVNMARSA-N 462.597 1.492 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(F)F)c1)[C@H]1CCS(=O)(=O)C1 1358963078 BJZIXCWUNQKUCD-MSOLQXFVSA-N 498.577 1.793 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358966881 YSSUKYCGTITGOE-LJQANCHMSA-N 474.583 1.334 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(O)CCS(=O)(=O)CC1 1358987061 QJAIBQUUCKGLMB-UHFFFAOYSA-N 478.578 1.738 30 10 JDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCN(C(C)=O)CC1 1359009881 BCAMZUMXOHJYRK-HXUWFJFHSA-N 489.621 1.210 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCOCC1 1359016689 JWRLCJJZFYSVLL-SFHVURJKSA-N 462.547 1.501 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1359028561 WMGUBVJVMHUNJU-UHFFFAOYSA-N 489.527 1.512 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(C)=O)CC1 1359090984 HZMXUSHUYRHTAW-UYAOXDASSA-N 453.547 1.965 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccc(C(F)F)n1 1359272324 PJGQCPZGDAPFPJ-HNNXBMFYSA-N 469.518 1.565 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@H]2C1 1359333966 PJLWMDSKWHDHFW-LJQANCHMSA-N 466.007 1.644 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC)cc2OCc2ccccc2)CC1 1466220669 XLLLGSTVOHGWDD-UHFFFAOYSA-N 458.540 1.891 30 10 JDEE CN(CC1CC1)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1503528659 DAYGAIWEINWTAK-UHFFFAOYSA-N 476.628 1.954 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC(=O)NCC2CC2)c1 1507549270 ZACJDVOVPWVAEW-UHFFFAOYSA-N 463.542 1.097 30 10 JDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507554358 QPZZBXZHVDBOAM-HSZRJFAPSA-N 464.530 1.543 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1507574805 CFIZDEWMUFWKAH-IBGZPJMESA-N 472.615 1.913 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1CCN(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1507622613 JWUBNWKSEPQCLK-IBGZPJMESA-N 464.636 1.165 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1507627653 SXWVUACHRVUQAX-UEXGIBASSA-N 454.593 1.228 30 10 JDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(S(C)(=O)=O)CC1 1507688212 ZYRYVLYGUQIXPM-UHFFFAOYSA-N 450.590 1.275 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC)c(OC)c2)CC1 1507731642 NXIYSLGBZBXAGA-LJQANCHMSA-N 473.599 1.391 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCCN2CC)CC1 1507733709 JCHUKBDXTPTQIA-HXUWFJFHSA-N 455.607 1.354 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2cc(F)cc(F)c2)CC1 1507741135 VJMLOTMOAUDPQE-UHFFFAOYSA-N 470.524 1.887 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507744758 WFOSSBMXWITUSJ-JOCHJYFZSA-N 482.570 1.106 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1 1507794682 AMOHRZRQBQMABU-BBWFWOEESA-N 453.565 1.050 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1507913773 BNCRRQKQFXBCSO-CVEARBPZSA-N 461.654 1.894 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1508059130 LVIXJTRGYCCDJU-GOSISDBHSA-N 462.576 1.489 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1508075246 PTHBRGPQNIUSRA-WMLDXEAASA-N 482.994 1.422 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1508078938 LRTLWVFZMJQTIT-NRFANRHFSA-N 465.558 1.975 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C 1508097420 IHFFHHDFRBBFDB-HOTGVXAUSA-N 461.567 1.319 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCCC[C@H]2C)C1 1508125545 PJCXBGMDWRIVPV-NJDAHSKKSA-N 496.678 1.657 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@](C)(N2CCOCC2)C1 1508148459 HTFNQISNIDEWAG-QHCPKHFHSA-N 493.605 1.898 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccn(-c2ccc(F)cc2)n1 1510216827 DCDKAOFTDGHTLL-DNVCBOLYSA-N 488.549 1.185 30 10 JDEE C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)NCCn3cnc(C#N)n3)ccc2Cl)C[C@@H](C)O1 1525393507 BJPABXMZQZFSTD-CHWSQXEVSA-N 452.924 1.031 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1cccc(C(F)(F)F)n1 1538975135 XZUYHKPFCACCQE-STQMWFEESA-N 460.482 1.839 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1539213409 ZJKNQPXNGQVDEU-SFHVURJKSA-N 490.582 1.131 30 10 JDEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(Br)n1)[C@H]1CCS(=O)(=O)C1 1539216428 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C#CCSCCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1705665351 RHVSMLKBJQSPGP-JOCHJYFZSA-N 458.588 1.342 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(CCC)C(=O)C1 1705698152 QEGFIPRHHDWTDR-AOIWGVFYSA-N 468.624 1.318 30 10 JDEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705886709 JTDWLHLOZKLNEC-HNNXBMFYSA-N 451.549 1.675 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705897518 NNZVZGFOPJEEHW-ZWKOTPCHSA-N 461.588 1.960 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)OCC(C)C)CC1 1705899492 VBAOUNDGAORAFH-UHFFFAOYSA-N 470.530 1.891 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1705903366 UFSRDOKLCNCGOW-DLBZAZTESA-N 490.634 1.012 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1705928127 LSHUXSNDPVHPBF-KRWDZBQOSA-N 480.660 1.962 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(S(=O)(=O)CC)CC1 1705938336 VRZOWHFOTDMUMN-UHFFFAOYSA-N 484.648 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FKRIEFGQTXTGSN-PMACEKPBSA-N 499.641 1.817 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCO[C@@H]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740615531 GNXFSSZDZJVSFA-VAMGGRTRSA-N 477.631 1.736 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(CSC)cc1)[C@@H]1CCS(=O)(=O)C1 1740616268 XGOWMBCRPDOULN-LJQANCHMSA-N 475.640 1.954 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](N1CCOCC1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740625850 ILIURMZVLTXZEH-IAGOWNOFSA-N 491.580 1.757 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC(F)F)OCO2 1740645722 KVHSTEPOCCRQGB-CQSZACIVSA-N 495.508 1.730 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@H](COC)OC)CC1 1740706517 VCKYWQYEENZGAM-QGZVFWFLSA-N 479.541 1.221 30 10 JDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1740716643 VYUADGOZAUNJBD-UHFFFAOYSA-N 494.643 1.623 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccn(CC)c1=O 1740774079 LGKGYZPJLHROGZ-GOSISDBHSA-N 464.592 1.243 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1740962347 BAESVXHWTILQBD-QGZVFWFLSA-N 464.617 1.237 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1740964037 FSDQISBETYMWIY-KRWDZBQOSA-N 454.531 1.369 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1740991557 YZMJERDPZVLBKS-NQIIRXRSSA-N 453.609 1.422 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](CN2CCCCC2)C1 1740994040 HNTMMQBQVFKILF-IBGZPJMESA-N 464.636 1.314 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](C(=O)NC)C1 1740994729 STWAFSVXQJCADG-IBGZPJMESA-N 470.599 1.844 30 10 JDEE CC(C)CN1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)C1 1741555470 GHHQKDYVRZFUES-WAOWUJCRSA-N 452.600 1.990 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CCCCO3)CC2)c1C#N 1742668957 HPJZMABLXFOUAY-KRWDZBQOSA-N 455.567 1.226 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N2CCOCC2)CC1 1748671231 HKNSSOXTRDLADQ-RBUKOAKNSA-N 474.606 1.909 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1748734533 GCMBDMWLGKUCLK-KNQAVFIVSA-N 486.642 1.766 30 10 JDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1748744902 BPVAYAPASUIXBZ-UHFFFAOYSA-N 452.607 1.911 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1748802471 QGIBQTYXYRZPDA-HZPDHXFCSA-N 455.531 1.576 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1748804343 FYYMGYZPSATGDK-PGRDOPGGSA-N 475.571 1.009 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1748819969 VUXFTARXUKLYPY-SFHVURJKSA-N 456.597 1.958 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748821719 UBUMZMQWKDPGAQ-UNMCSNQZSA-N 471.627 1.411 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1748825197 WJLKDYHDJLVBQY-WTPASJBYSA-N 476.624 1.703 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC1 1748945021 KSSMMTYLCVEUFR-OAQYLSRUSA-N 490.605 1.486 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCn2ccnn2)CC1 1749005991 DNLVWHSLJCTYAX-UHFFFAOYSA-N 478.557 1.610 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCN(CC)C2)CC1 1749016056 YDDCSBDCSMJKJS-GOSISDBHSA-N 483.642 1.577 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1749037238 CBZDGOFVKDNHNN-SFHVURJKSA-N 483.660 1.851 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCS(C)(=O)=O 1749120794 HMAFBCPLTRLDJG-PKOBYXMFSA-N 482.628 1.811 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNc2nccc(C(F)(F)F)n2)CC1 1749286536 NYTRTYRSCKIWPB-ZDUSSCGKSA-N 474.513 1.966 30 10 JDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1749460007 YVNVPKBCILTFDN-NRFANRHFSA-N 453.591 1.599 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)N2CCOCC2)C1 1749696095 PXZFIGKFQICXGF-AZUAARDMSA-N 475.615 1.851 30 10 JDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCSC2(CCOCC2)C1 1750215664 AMHODPCVZPYIAZ-UHFFFAOYSA-N 462.601 1.468 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCCS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760185933 HCPNPSZGOFPZRQ-LJQANCHMSA-N 478.640 1.967 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCSCC1 1760219246 YJNTXLBICOAOBW-UHFFFAOYSA-N 464.643 1.964 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2ncccc2c1 1760233310 KKHOZZYZTDXNOH-FQEVSTJZSA-N 454.556 1.667 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC(C)C 1760248021 YDDFNYOUQZLJLE-UHFFFAOYSA-N 451.531 1.193 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccn(-c2ccc(F)cc2)n1 1760249357 KEWRQWUZDZKKCQ-GOSISDBHSA-N 486.573 1.834 30 10 JDEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H](C)N2CCN(c3ccccc3)CC2)CC1 1760264577 UDPVFQDXEFWORN-JOCHJYFZSA-N 451.619 1.781 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)N1CCCCC1 1760294900 JBRMLZKXALKGBW-SXWKCWPCSA-N 478.663 1.868 30 10 JDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1760355851 YNQSILFAPJJANB-UHFFFAOYSA-N 467.530 1.482 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1760446029 DPMUMRKISHOVHG-QGZVFWFLSA-N 461.588 1.998 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(C)no2)CC1 1760450371 JVGIOPUJNOCLJW-GOSISDBHSA-N 464.592 1.392 30 10 JDEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1CCN1CCN(C(C)=O)CC1 1760500353 YQZMURBNGXLVLX-UHFFFAOYSA-N 452.563 1.671 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1760529901 IQZCQKMRTYAUOH-HXUWFJFHSA-N 468.558 1.679 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC=CO2)C1 1760542240 FDEPCZPEFNMLTD-RCCFBDPRSA-N 453.565 1.085 30 10 JDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1CN(C(=O)OC(C)(C)C)C1 1762610603 CXAWWFKIXHKJOV-HNNXBMFYSA-N 453.551 1.830 30 10 JDEE CCN(CCCn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1)S(C)(=O)=O 1766874005 GAZLSLJQRXAFQM-UHFFFAOYSA-N 451.597 1.202 30 10 JDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1768258152 AEBWQYSDXXQUGP-MRXNPFEDSA-N 473.477 1.931 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCCO2)c1 1768522281 GTPRATPCIMRFQH-MSOLQXFVSA-N 460.560 1.493 30 10 JDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1)OC 1770761408 HRTZTAFHGCUSGE-JOCHJYFZSA-N 481.601 1.613 30 10 JDEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 1861602077 XIJMEFIWVARNGQ-JTHBVZDNSA-N 463.534 1.990 30 10 JDEE N#Cc1ccc(NC(=O)[C@@H](CO)NC(=O)c2cc(N3CCCCS3(=O)=O)ccc2Cl)cc1 1866631479 UILADZKREFNOBZ-LJQANCHMSA-N 476.942 1.871 30 10 JDEE COc1cc(C(=O)NCC(=O)Nc2c(C#N)nnn2-c2cccc(F)c2)cc(OC)c1OC 1870140200 DPJVUNIOYKRUAB-UHFFFAOYSA-N 454.418 1.672 30 10 JDEE CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)ccc21 1889957956 FUSLAFLFRTVARY-UHFFFAOYSA-N 488.654 1.406 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1 1890078462 QTVBKZGCVFRAJH-UHFFFAOYSA-N 451.434 1.916 30 10 JDEE C#CCNC(=O)[C@H](C)S(=O)(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2074766888 UIEBVPOYBVXXIO-AOMKIAJQSA-N 498.557 1.921 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@H](O)C1 2206611773 NQSFYTCHEZQGDK-QRQCRPRQSA-N 463.340 1.052 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1 2255797078 ZLBWRXBCJUYWPF-CYBMUJFWSA-N 456.374 1.007 30 10 JDEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2266982779 LKINIEDARLJZFU-UHFFFAOYSA-N 450.316 1.837 30 10 JDEE Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)c1B1OC(C)(C)C(C)(C)O1 2267008479 HFUKUKZLNCSTKN-HUUCEWRRSA-N 452.336 1.797 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2267409595 WQSMJBJLBVPNDX-JKSUJKDBSA-N 450.316 1.835 30 10 JDEE Cn1nc(C(=O)NC2CC(F)(CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267548993 JKHDRKLQPHCWKU-UHFFFAOYSA-N 452.336 1.845 30 10 JDEE Cc1c(C(=O)N2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281988149 IJEBTCVLPURXQQ-HUUCEWRRSA-N 464.372 1.128 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2282175548 XIVHKOMGDBUQEG-CABCVRRESA-N 461.372 1.586 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(CNC(=O)OC(C)(C)C)CCOCC1 2282539929 BVAUUOFSMHPXPH-UHFFFAOYSA-N 464.372 1.523 30 10 JDEE Cn1nc(C(=O)NC[C@]2(NC(=O)OC(C)(C)C)CCOC2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282546467 VQNHOAZKFIZPGH-OAQYLSRUSA-N 484.790 1.786 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CC(F)(F)C2)n1 2282653809 FZPHDJBHBQFODR-GFCCVEGCSA-N 471.314 1.489 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2282865556 VYTJPODBYLYDOD-BMFZPTHFSA-N 482.412 1.396 30 10 JDEE Cc1nc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282880458 JHOJRLGJTHFMQJ-OAHLLOKOSA-N 484.428 1.706 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CCNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283054934 ATSPQRJUUYWLGW-QFIPXVFZSA-N 462.356 1.268 30 10 JDEE COC(=O)[C@@H](CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1)NC(=O)OC(C)(C)C 2283989570 PGJBCHQDTZWHAX-CQSZACIVSA-N 464.328 1.479 30 10 JDEE Cc1nc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C2(O)CCC2)ncc1B1OC(C)(C)C(C)(C)O1 2284037924 FDNWAVZQYKBGNL-OAHLLOKOSA-N 462.356 1.831 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](COCc2ccccc2)CC(=O)O)n1 2284461042 KBVORFPMOLEWOR-KRWDZBQOSA-N 457.336 1.992 30 10 JDEE COC(=O)[C@@H](CS(=O)(=O)N1CC[C@H]2SC(=O)C=C2C1)NC(=O)OCc1ccccc1 2286050525 BPKBPHBYGKSVRV-HZPDHXFCSA-N 454.526 1.058 30 10 JDEE CO[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2362355164 YRPDBIIVNUUIQG-CABCVRRESA-N 464.372 1.474 30 10 JDEE C=CCN1C(=O)N[C@@H](c2cc(OC)ccc2OC)C2=C1CN(CCCN1CCOCC1)C2=O 35834633 JQTDCRSTMHTNSP-QFIPXVFZSA-N 456.543 1.775 30 10 JDEE C=CCNC(=O)/C(C#N)=c1/s/c(=C/c2ccc(Br)cc2)c(=O)n1CCCOC 105754177 IMQNLLIXDVWKMP-LNWFBJFBSA-N 462.369 1.514 30 10 JDEE COc1ccc(C=NNC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1O 254297356 PFTHOLUYKDLAGZ-UHFFFAOYSA-N 450.542 1.742 30 10 JDEE C#CCn1c(=NC(=O)CSCC(=O)N2CCN(C(=O)OCC)CC2)sc2ccccc21 254528373 NJLOCZSAQDCWOI-UHFFFAOYSA-N 460.581 1.797 30 10 JDEE COc1ncccc1CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 726399864 HROGSGBPFFWHCA-KRWDZBQOSA-N 453.524 1.990 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1[C@@H](C)c1cccs1 726584057 NXUCLJXYPZTXMD-INIZCTEOSA-N 488.598 1.967 30 10 JDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1[C@H](C)c1cccs1 729672479 QANHCTQOMKZWLP-HZPDHXFCSA-N 493.614 1.882 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286393698 GBPAGSMUBCFINA-MSOLQXFVSA-N 451.618 1.806 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1286398003 VUIJEEBWHASNMF-CVCYQNGTSA-N 487.607 1.267 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1286508346 HRHHLIWFDOHNCC-MSOLQXFVSA-N 467.661 1.994 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2nccs2)C1 1286813929 GEFWOCXOQMPDML-CQSZACIVSA-N 454.578 1.052 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)OCC)CC1 1286821895 DJZSBVPLRYAPDG-UHFFFAOYSA-N 468.605 1.513 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1292116542 CVFKEWPGZPSHLE-OSPHWJPCSA-N 482.589 1.330 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)nc1 1300464826 IHTVKBHPXGYDBB-KRWDZBQOSA-N 455.519 1.198 30 10 JDEE C#CCN(c1nnc(-c2ccc(F)cc2Br)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1300489274 LGRFTNBZQCRAHD-AWEZNQCLSA-N 498.378 1.610 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1300682404 HFBQFSKFALMEKL-QZTJIDSGSA-N 450.584 1.671 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1300684035 WLMPVERMUJEFJK-ZWKOTPCHSA-N 476.603 1.120 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(F)(F)c2ccccc2)CC1 1300699942 KEEYYTPVWFPXRM-IBGZPJMESA-N 494.568 1.158 30 10 JDEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1300850692 AZWFMRSZONEWFB-UHFFFAOYSA-N 474.363 1.100 30 10 JDEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)NC)CC1 1300983553 LNYHMSRXHUSSAT-UHFFFAOYSA-N 476.607 1.292 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccnc2OCC(F)F)CC1 1301086978 QUFUEUHPGZSZHV-QGZVFWFLSA-N 498.556 1.855 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(C)c1 1301152161 VOEBDFWEKIGOPU-KRWDZBQOSA-N 451.597 1.583 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1301507355 ZYJYQSKFLCJEFB-UHFFFAOYSA-N 497.619 1.835 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ncccc2F)CC1 1301510052 RTZSFSSNBFWASC-UHFFFAOYSA-N 484.561 1.433 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1358920436 ZAXSPPLDXKHDLV-HZPDHXFCSA-N 467.617 1.903 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1358955025 CGTRIYUYCVIWQV-QGZVFWFLSA-N 481.538 1.004 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1359023287 GMDFRMHBKQJAKI-HNNXBMFYSA-N 456.528 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30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1760557669 SXQXXUYECOGAAN-AZUAARDMSA-N 473.599 1.790 30 10 JDEE C[C@H](CO)CC[C@H](O)[C@@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@@]4(C)[C@@H]3CC[C@@]12C 1857788213 JQNVCUBPURTQPQ-NQBCBQEFSA-N 480.642 1.712 30 10 JDEE N#Cc1nnn(Cc2ccc([N+](=O)[O-])cc2)c1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870112179 RSPDWZNKBWVGEO-UHFFFAOYSA-N 490.392 1.639 30 10 JDEE CC(=O)Nc1cccc(-n2nnc(C#N)c2NC(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)c1 1870151094 MCSXHMXEAYLBPW-OAHLLOKOSA-N 473.449 1.787 30 10 JDEE C=CCn1c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc2c(=O)n3cccc(C)c3nc21 1875237311 JDWDEUHHZCZNJM-UHFFFAOYSA-N 451.508 1.721 30 10 JDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CSc4nccc(=O)n4C3)CC2)CC1 1890656366 GDAACQOYCMOFNJ-FQEVSTJZSA-N 473.643 1.002 30 10 JDEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)OC1(C)C 2255632710 QFXCTMFYVNGBMR-QZTJIDSGSA-N 470.335 1.523 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2255807387 SVIVLQMHGIEBHF-ZIAGYGMSSA-N 453.370 1.542 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NS(=O)(=O)N2CC[C@@H](C#N)C2)C1 2259377145 NJYJGFOSQOYRIM-HNNXBMFYSA-N 473.596 1.523 30 10 JDEE CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267112750 LCHBEUWZQWELCB-OAQYLSRUSA-N 451.377 1.784 30 10 JDEE Cn1nc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267183756 PRGPGQPTDHURST-RYUDHWBXSA-N 470.763 1.083 30 10 JDEE C[C@@H](CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)N(C)Cc1ccccc1 2267717052 WXQOSCPVGGKTRX-KRWDZBQOSA-N 462.425 1.908 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268645151 DPJWNWZVUXQQBP-ZFWWWQNUSA-N 451.304 1.829 30 10 JDEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2269841558 XHLQPNBYIVBGBN-AWEZNQCLSA-N 452.361 1.067 30 10 JDEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C 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30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@](C)(NC(=O)OC(C)(C)C)C1CCC1 2282681590 FZVRHUWLXLPKRN-QFIPXVFZSA-N 463.388 1.928 30 10 JDEE Cc1ccc(S(=O)(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2282839093 YUOZHUUEVFQFQJ-MRXNPFEDSA-N 484.424 1.800 30 10 JDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)OC1(C)C 2282840692 IVHPFQQZZCPNQI-GFCCVEGCSA-N 497.370 1.663 30 10 JDEE CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282843394 MSQGTHFPMVAZOL-IBGZPJMESA-N 474.436 1.862 30 10 JDEE Cc1nc(S(=O)(=O)NC[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282845125 NLDSKVZXNAYPCZ-LSDHHAIUSA-N 484.428 1.467 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H]2C[C@H](C1)C2NC(=O)OC(C)(C)C 2282850985 VXWJDEQIZYAGAI-VMZNBEPHSA-N 482.412 1.253 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC12CC(CN1C(=O)OC(C)(C)C)C2 2282865146 QBGQVBQIJFNSGJ-UHFFFAOYSA-N 482.412 1.397 30 10 JDEE CC(C)(C)OC(=O)NCCn1cc(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)nn1 2283974700 VYZMYNCZGUBNBQ-UHFFFAOYSA-N 478.384 1.489 30 10 JDEE CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2289796747 CJVLKEIUGWAKFO-AWEZNQCLSA-N 466.344 1.587 30 10 JDEE CCOc1c(Br)cc(C=Nn2c(S)nnc(CCC(=O)O)c2=O)cc1OC 2323028611 BXMXPRCWEKABDM-UHFFFAOYSA-N 457.306 1.996 30 10 JDEE CCOc1cc(C=Nn2c(CCOC)nnc2SCC(N)=O)ccc1OCC(=O)N(CC)CC 2331260265 SCVRSMONGCSCIA-UHFFFAOYSA-N 492.602 1.573 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)[C@H](O)C1 2342481208 RFQJWZPUJNGDQD-UJUVCNOISA-N 454.373 1.804 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2364945473 UEVPZOMXSTUTOG-RDJZCZTQSA-N 466.315 1.541 30 10 JDEE Cc1cnc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CC(N)=O)c(B2OC(C)(C)C(C)(C)O2)c1 2369312813 KAGYDFXUWDCOQG-INIZCTEOSA-N 460.384 1.990 30 10 JDEE Cc1c(NC(=O)C=NOCC(=O)NCc2ccc3c(c2)OCO3)c(=O)n(-c2ccccc2)n1C 254877226 NAXLIAVHRHTLDL-UHFFFAOYSA-N 465.466 1.470 30 10 JDEE CN1NOC(=O)/C1=C\C(=NC(=O)c1ccccc1)C(=O)N1CCN(c2ccccc2F)CC1 585673556 HUHYYWPDIIIGIM-ILFCESAHSA-N 451.458 1.548 30 10 JDEE Cc1cccc(C)c1-n1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2)c1=O 603796841 BDNVOFCSKFVVEA-UHFFFAOYSA-N 488.613 1.467 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 609407107 JFYAJNDFDMUMMX-NRFANRHFSA-N 466.563 1.944 30 10 JDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(F)cc1F 729669019 XTRYNLNLNYTPSF-AWEZNQCLSA-N 495.511 1.479 30 10 JDEE C#CCOc1ccc(NC(=O)N2CCN(S(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)CC2)cc1 731111318 VEESMXLMMMTQRV-UHFFFAOYSA-N 491.591 1.949 30 10 JDEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)Nc3cc(OC)cc(OC)c3)n2N)cc1 1084090483 QEWLOOQVLZGUIM-UHFFFAOYSA-N 485.526 1.973 30 10 JDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)OCc2ccccc2)CC1 1151550514 GKPWUHUXGNKLAV-UHFFFAOYSA-N 456.524 1.596 30 10 JDEE C=CCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)CC1 1226834173 NRAYMOHJBIEISS-UHFFFAOYSA-N 451.549 1.570 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1286383012 VASXQTDDWOLATF-NPPFBWRTSA-N 463.604 1.489 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1286385719 ZJQJYFMAQAMKDP-XMSQKQJNSA-N 459.572 1.309 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1286422358 LCRHQALEWUITCS-RUZDIDTESA-N 482.585 1.648 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cccs1 1286431665 QEGTZRXZRRCLHB-LAUBAEHRSA-N 477.612 1.043 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1286481279 BOERPPWSTYASEA-UHFFFAOYSA-N 479.610 1.318 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1286486200 CUUVKXFKAGOBSN-UNMCSNQZSA-N 467.570 1.971 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1286490205 NWRPCDWXOAXSAQ-IBGZPJMESA-N 477.544 1.722 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1286492468 GHAMZNKJKKXYDD-MSYCTHLASA-N 477.631 1.494 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286546579 JYMQNHOJAFYHJK-NJAFHUGGSA-N 453.609 1.801 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286782476 WDJLROGMFCMCMF-UHFFFAOYSA-N 468.518 1.493 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CCC(OC)CC2)C1 1286810557 SSVCVLKRBJTVEH-NSKBAKJYSA-N 497.662 1.988 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1286816203 JGFYISXCOGXQOH-UHFFFAOYSA-N 461.544 1.633 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1286822621 LVEOODOZAPHSIQ-FQEVSTJZSA-N 450.653 1.436 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(NC(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 1300480162 YNSSEHOYNYZCHQ-SFHVURJKSA-N 488.570 1.270 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1300483768 NNPFXWRGIVVOCU-HXOBKFHXSA-N 487.582 1.067 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1300483955 PRNWNZDTZFWAIN-HTAPYJJXSA-N 477.587 1.464 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1300489761 RRXYAJNBMQPWJA-TZIWHRDSSA-N 485.610 1.839 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1300498519 KZJOMFDMYAOJTM-IBGZPJMESA-N 458.584 1.809 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300506011 LKFIAJGTCWRHPE-SODVOOIJSA-N 494.658 1.960 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300553739 QUTDGLHWQNCYRB-FPOVZHCZSA-N 488.658 1.864 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1CCS(=O)(=O)N1CCSCC1 1300580748 GTFNJKDVFRFUCL-SFHVURJKSA-N 451.618 1.361 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCn2cccn2)CC1 1300718552 SMSLYNHMYNUGPX-UHFFFAOYSA-N 495.609 1.601 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1300719862 TVCADXSMPGTBDI-JOCHJYFZSA-N 492.628 1.249 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)CC1 1300732194 YTBGXDIXHLYNSR-PMACEKPBSA-N 486.596 1.127 30 10 JDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(NS(C)(=O)=O)CC1 1300762000 FZKWVAWODUDPOK-IBGZPJMESA-N 477.612 1.675 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1300972342 LUGXFAQFDHLZQP-OXQOHEQNSA-N 457.597 1.255 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2CCS(=O)(=O)CC2)C1 1301568940 ZONLBJMQOCTHPR-OTWHNJEPSA-N 454.593 1.608 30 10 JDEE C=CCS(=O)(=O)CCn1c(N(C)[C@@H]2CCCc3c2cnn3C)nnc1[C@@]1(OCC)CCOC1 1301593361 NATYOKHVAFOGKM-XMSQKQJNSA-N 478.619 1.778 30 10 JDEE CC(=O)Nc1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)c1 1301794412 DPGXDOPPVWDDEF-DNVCBOLYSA-N 475.575 1.356 30 10 JDEE CCCNC(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)c1 1313455501 FCWOMKNEHNDRMX-VQIMIIECSA-N 458.588 1.964 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 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C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1N1CCOCC1 1359332409 WXVIYUGCQYUYPL-IBGZPJMESA-N 488.614 1.303 30 10 JDEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507559717 WYVOJIRHJFQECZ-HNNXBMFYSA-N 471.359 1.658 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1507564927 ZHVUSUUQCBJQDH-LJQANCHMSA-N 453.572 1.577 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507631514 QFFCJVGDKYKPIR-OAQYLSRUSA-N 473.647 1.962 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1507632600 NZRMQSFTXVAYJM-DOTOQJQBSA-N 479.509 1.506 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCNC(=O)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1507633926 VQGHZWRONLHLPU-RTWAWAEBSA-N 485.610 1.885 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)N(C)C)cc1 1507641910 FJDKJNJMXAAVRF-INIZCTEOSA-N 457.560 1.103 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1NC(=O)CC1(C)C 1507662082 DKGTZDBTQFRQQF-HXUWFJFHSA-N 482.610 1.573 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CCS(=O)(=O)NC 1507662348 QZWUQRUSTGONLI-UHFFFAOYSA-N 450.362 1.720 30 10 JDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1507701868 BXNCFEKROVBROO-IRXDYDNUSA-N 484.623 1.374 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOCCc2ccccc2)CC1 1507730790 VKETXDLSPGKXLV-JOCHJYFZSA-N 471.627 1.585 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1507740645 WDWQMUYWRJZLRT-UHFFFAOYSA-N 492.605 1.682 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@](C)(O)CC)CC1 1507740668 OYAFTFMNAWKVDI-XMMPIXPASA-N 455.559 1.993 30 10 JDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1507782572 KSABYFROECNIKG-INIZCTEOSA-N 493.410 1.307 30 10 JDEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CCOC)C(=O)C1 1507865462 CRJYKHWWPGKKJL-UHFFFAOYSA-N 467.983 1.286 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2)CC1 1508141942 QKHUDVCTZQZEGK-LJQANCHMSA-N 458.588 1.547 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)NCCN3CCN(C(=O)C4CCCCC4)CC3)cc2C1=O 1530886530 XVHLJWZDIUVLSJ-UHFFFAOYSA-N 452.555 1.923 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(CCC(C)C)CC1 1539180005 VEIHPMANUAWRHH-HXUWFJFHSA-N 466.652 1.439 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1539231625 WGVPYPCCRDQMOO-UYAOXDASSA-N 461.636 1.497 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CCS(=O)(=O)CC=C)CC1 1539441819 VZCIHDOOXSWHGV-UHFFFAOYSA-N 450.568 1.849 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1539730449 OSLWTEVXAWGELF-SFHVURJKSA-N 482.651 1.710 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2oc(CC)nc2C)CC1 1539849350 WKWJIAFSUDMSON-KRWDZBQOSA-N 450.565 1.675 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nc(C)no1)C1CC1 1540107852 DKNIVRLNIQRCTQ-MRXNPFEDSA-N 451.553 1.090 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1540869043 ABYHLPMBVAVBOI-SMDDNHRTSA-N 456.425 1.464 30 10 JDEE C=CCn1c(SCC(=O)N[C@H](CO)CN2CCOCC2)nnc1-c1ccc(Cl)cc1 1556318220 DULJCXLJELXBGR-KRWDZBQOSA-N 451.980 1.686 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1587989957 QWMJKJNYOJTZSM-LBPRGKRZSA-N 495.915 1.134 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cn(CCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1588049511 HMJHRRKJVRSTAZ-LJQANCHMSA-N 468.587 1.715 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(c3ccccc3OC)CCC2)CC1 1588743141 YCUWTZPLMHNJDO-LJQANCHMSA-N 486.642 1.774 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1588908676 UXYJHYCZVGQSCO-OAQYLSRUSA-N 463.630 1.937 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1588908810 WTZPMFIDJSJPLM-LJQANCHMSA-N 495.609 1.064 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1589069249 JGCZSPVUKSZHLS-IRXDYDNUSA-N 453.634 1.240 30 10 JDEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1589715519 LZZOEAGBEADRRX-UHFFFAOYSA-N 472.351 1.619 30 10 JDEE C=CC[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1)c1ccccc1 1594546033 WMRYWNRYXMGHGA-VQTJNVASSA-N 461.588 1.808 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)CC[C@H]2C1)C(C)C 1595171653 XPTBYRQXHLTVSO-QHAWAJNXSA-N 490.674 1.690 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1595545540 YEWSRLARSJENBM-KRWDZBQOSA-N 456.547 1.775 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(c3ccccc3F)CC2)nnc1[C@]1(OCC)CCOC1 1595831412 PZRAXRAYPCBRJX-QHCPKHFHSA-N 493.605 1.997 30 10 JDEE CC[C@@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1613718043 GEHQYJBOCCHVPX-FCHUYYIVSA-N 475.571 1.284 30 10 JDEE CCN(CCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](C#N)C1)S(C)(=O)=O 1615625190 DSPDVYNPKXXZNA-LJQANCHMSA-N 471.587 1.681 30 10 JDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1ccco1 1617792793 FWQWAPDKVZIKRQ-UHFFFAOYSA-N 463.498 1.135 30 10 JDEE CN(C[C@@H]1CCCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1618096871 DZAUEGAIOZPMBT-SIKLNZKXSA-N 475.571 1.284 30 10 JDEE CC#CC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1658029540 YFQICEMFMUQWFU-KRWDZBQOSA-N 452.577 1.450 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCS(=O)(=O)C2)c1 1689868986 XSZHJNKOBFMADG-GOSISDBHSA-N 486.598 1.297 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1689982922 XEFVHJIICUDGGO-NQIIRXRSSA-N 464.613 1.861 30 10 JDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1690003479 OVXMEYGKCVQZMI-VWLOTQADSA-N 482.585 1.646 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN2CCN(C(C)=O)CC2)CC1 1690137693 GSXDOHMLXKIMSC-UHFFFAOYSA-N 498.031 1.728 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(=O)N(C)CC)CC1 1690145932 BHAAXCLGNLJVNC-FQEVSTJZSA-N 466.542 1.235 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1 1690245819 NHVHPCXLGPNQPR-ZBRFXRBCSA-N 457.572 1.386 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1690249631 ZZPHJOXWRYXOEO-CVDCTZTESA-N 453.591 1.455 30 10 JDEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1690289531 FYMMYXXOLAPZTH-UHFFFAOYSA-N 454.510 1.051 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690660173 AIARJIUJUQFWQT-INIZCTEOSA-N 494.593 1.720 30 10 JDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(NC(=O)COC)CC1 1690668934 OLIHHKYWLBYKLC-UHFFFAOYSA-N 451.531 1.460 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1690696310 AAXLMDPAPNFYPE-SFHVURJKSA-N 469.571 1.815 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690728927 BFXUKWJNPOQJGV-QGZVFWFLSA-N 468.601 1.390 30 10 JDEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(N(C)C(C)=O)CC2)CC1=O 1698074657 DLNCOROMDLSIOY-HXUWFJFHSA-N 479.585 1.759 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@H](N2CCOCC2)C(F)(F)F)cc1 1698488456 CZWNWZPQIDJWPV-SJLPKXTDSA-N 493.490 1.303 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1705569135 ZVIGHXWXPSKTGM-KRWDZBQOSA-N 472.546 1.713 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1705569876 HVSXQRWSHXXZDI-NRFANRHFSA-N 469.611 1.863 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1705582794 JVZSOLJIIGPLCM-UXHICEINSA-N 467.595 1.788 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC(=O)N(c3ccccc3)C2)CC1 1705644228 JLMMMJUWVFQZQR-IBGZPJMESA-N 491.596 1.435 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCn3ccnc3C2)CC1 1705644346 NOKKGHPYEKIHBO-SFHVURJKSA-N 480.617 1.621 30 10 JDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1705666580 BWSFRPRMWDLTLC-NHCUHLMSSA-N 462.664 1.727 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC[C@@H]1C 1705674309 FLDQFGLRTOYOHG-RYLXDESZSA-N 451.593 1.276 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1705735836 XAYGVETYJFHNHV-AZUAARDMSA-N 473.622 1.391 30 10 JDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1705843284 BGCBJWNDDDVUKP-JKSUJKDBSA-N 455.581 1.643 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1705875803 GTNSWKMRWDDBDH-FGZHOGPDSA-N 471.627 1.974 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1705895688 PGMDCVWIQNRTQX-IBGZPJMESA-N 462.352 1.207 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1705905221 OCFJWWGCNHSCAF-HNNXBMFYSA-N 451.453 1.071 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1705933359 DPKYFJVUVDDCSM-FQEVSTJZSA-N 470.599 1.576 30 10 JDEE COc1ccc(-c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2CC(C)(C)O)cc1 1711773030 HJLPGNUWCLUUJO-UHFFFAOYSA-N 450.547 1.965 30 10 JDEE COC[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1712137957 HDZJPGKBTRJKOL-DLBZAZTESA-N 476.578 1.800 30 10 JDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722337481 BKDBXGGVTWTVBP-HNNXBMFYSA-N 455.544 1.156 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1722364056 DOCPATBZLUDGGD-INIZCTEOSA-N 479.553 1.690 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(COC)cc1)[C@H]1CCS(=O)(=O)C1 1722367551 NSXUSGXVKYWSGD-SFTDATJTSA-N 458.584 1.994 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1722399980 HNDQLIXSTTYLON-GOSISDBHSA-N 461.613 1.983 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NC2CCCCC2)CC1 1722442338 YODKJBWZTQCZKZ-UHFFFAOYSA-N 469.615 1.474 30 10 JDEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722486681 CRCNWBWZRYMCPU-INIZCTEOSA-N 452.357 1.390 30 10 JDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNS(=O)(=O)c2ccccc2)CC1 1722566158 KYRFEAALQKBWCS-KRWDZBQOSA-N 465.601 1.315 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1722728306 PHPZUXLABBDFON-ZVDOUQERSA-N 481.663 1.708 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1722728758 AZCYPDKWIXPTRV-UHFFFAOYSA-N 482.614 1.598 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722729622 RBTIQIAFTOGWDP-LJQANCHMSA-N 463.579 1.913 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCC2=O)CC1 1723660451 GGFPNMLOPYGUIP-UHFFFAOYSA-N 485.614 1.736 30 10 JDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCCC2)C1 1724009857 GJLUDWWJQKFEFH-NQIIRXRSSA-N 465.624 1.227 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCSC2)c1 1729341812 HILSDDPWVNKPMH-VQTJNVASSA-N 480.591 1.505 30 10 JDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1729745805 GVYFZWFBBICZAO-LJQANCHMSA-N 484.586 1.624 30 10 JDEE COc1ccc(C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1730035639 FREBDNNOKRMDNN-AEFFLSMTSA-N 489.598 1.904 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2nccs2)c1 1740561413 FHHUMPZLRLTKLW-HNNXBMFYSA-N 487.611 1.644 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1740616220 WHLBAKCCBZUVKH-IBGZPJMESA-N 472.571 1.050 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCCCS2(=O)=O)CC1 1740704708 RWLHUSPHUBASHM-GOSISDBHSA-N 458.588 1.217 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC(=O)NCC=C)CC1 1740707435 BUKAHELCKPMCJI-UHFFFAOYSA-N 454.506 1.264 30 10 JDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1740710454 XPYZSRQXLTXFEE-UHFFFAOYSA-N 483.646 1.803 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740960823 CMGVXEGTHBLJCA-UHFFFAOYSA-N 488.539 1.525 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1740964408 BTGOCMZURVHFBX-XFAGBWLFSA-N 492.621 1.972 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC2CCOCC2)C1 1740982956 YWCYTFUXOWXEMG-HKUYNNGSSA-N 454.593 1.547 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](n2cncn2)C1 1740992853 OOFWXPFLPKLCDM-IBGZPJMESA-N 471.587 1.911 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740992921 VWFZALSGUMONKG-INIZCTEOSA-N 461.654 1.233 30 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C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CN(CC)CC)C1 1286349730 NBRSSGVKVAVLOL-OALUTQOASA-N 452.625 1.193 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1286349932 QYUBALJYRUDIIG-GOSISDBHSA-N 496.634 1.518 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1286384539 RIZCTVTZISCASO-FXAWDEMLSA-N 472.558 1.991 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccco1)N1CCCCC1 1286446394 FPPIZBBRWLFFJE-FPOVZHCZSA-N 490.630 1.891 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCc2ccccn2)CC1 1286473472 MCERLIHQRCCMBE-UHFFFAOYSA-N 479.610 1.588 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NCCc2ccccc2)CC1 1286484484 KZQCKGOEQRBPHR-UHFFFAOYSA-N 491.621 1.384 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccccc1S(=O)(=O)N(C)C 1286514491 HISZXHWKOKAFQG-JOCHJYFZSA-N 458.588 1.707 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C1CCCCC1 1286773693 QJHZWQAXCRUPCW-KRWDZBQOSA-N 453.609 1.610 30 10 JDEE CN(C)c1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)cn1 1298052694 BYCYNBZNYICPSM-UHFFFAOYSA-N 454.560 1.311 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)nc1 1300310372 MKFXKSALNLQCEC-MAUKXSAKSA-N 469.546 1.587 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCCS2(=O)=O)c1 1300331317 ISXWPDASPPXNIP-FQEVSTJZSA-N 498.609 1.538 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc([C@@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1300500733 CPKSHMAOHMHNQC-GCJKJVERSA-N 465.579 1.992 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1300504263 KXBILGIVXATYNP-LJQANCHMSA-N 473.599 1.627 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC2(N(C)C)CCOCC2)CC1 1300703264 DQGBHVLQSZZNFV-UHFFFAOYSA-N 452.603 1.744 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCOCC2(C)C)CC1 1300718332 KHHZVWNLJZEKBW-UHFFFAOYSA-N 495.584 1.930 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCCCS2(=O)=O)CC1 1300726556 NXTOPTYSUJBCGV-OAQYLSRUSA-N 499.637 1.811 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1300729378 XTKZNBIZWIDVPD-UHFFFAOYSA-N 472.590 1.490 30 10 JDEE CO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)Cc2ccon2)C1 1300757114 CEEFRJHTZXOEID-LJQANCHMSA-N 471.543 1.540 30 10 JDEE C#CCSCCn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300778195 OWWHIFYPUJKMTD-XXBNENTESA-N 477.631 1.513 30 10 JDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1301135396 KBMUCMCOOWZPHS-LJQANCHMSA-N 494.662 1.747 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1301509237 DCMVKVUMOPNEFE-MRXNPFEDSA-N 480.491 1.973 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1301586979 QHIBNDAJBOFKBL-GOSISDBHSA-N 494.643 1.062 30 10 JDEE CCN1CCN(C2CCN(c3nnc(COc4ccc(C#N)cc4)n3CCC(=O)NC)CC2)C1=O 1313947487 ALXZQOSAGWUHRF-UHFFFAOYSA-N 480.573 1.591 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2NC(=O)CC2(C)C)c1 1358900757 RNWJLVHQELXZPA-GOSISDBHSA-N 465.558 1.387 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CCS(=O)(=O)CC1CC1)[C@@H]1CCS(=O)(=O)C1 1358959885 RLZVCRCWCJVTBS-LJQANCHMSA-N 462.597 1.397 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OCCN(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1358961269 VMTCOCBDQYRKRK-HXUWFJFHSA-N 482.610 1.889 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1358966681 UBQZSSBCKJLYNK-SFHVURJKSA-N 480.612 1.227 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CCN1CCN(C(C)=O)CC1 1358972552 JEPRXLZPHJZXHF-UHFFFAOYSA-N 469.387 1.945 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1358976346 AJXMSLXDOHQGQG-FQEVSTJZSA-N 473.581 1.859 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C=C)cc1 1358994122 FTMDBBLSRWFHQK-QFIPXVFZSA-N 467.595 1.960 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCC(OC)CC2)CC1 1359041334 TWLZEYQCGGHXTC-LRYGQEGESA-N 480.635 1.059 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2CCOCC2)CC1 1359046242 JWZNNMGUYFLUKN-UHFFFAOYSA-N 471.631 1.322 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1359048682 YZTPOUIOTBJPMG-MRXNPFEDSA-N 458.592 1.455 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1359126371 NQALNYGBDPQMRA-UHFFFAOYSA-N 470.622 1.779 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1359183096 CRSANRUFPXDPJS-HNAYVOBHSA-N 459.638 1.506 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1359291583 WFUARKIANUXQJL-HXUWFJFHSA-N 468.558 1.620 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1359296791 USUGWJUUOYZKAK-XMMPIXPASA-N 481.557 1.750 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359328076 SNDSFCQWFPWJEO-HOTGVXAUSA-N 486.591 1.781 30 10 JDEE Cc1nc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)sc1C 1360904386 HIORTNIHRLHXKF-JXFKEZNVSA-N 479.632 1.863 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCCCN2CCN(c3ncccn3)CC2)c1 1443602605 QLHNEUDNKSRVPK-UHFFFAOYSA-N 455.584 1.606 30 10 JDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1)C1CCOCC1 1470863736 DJVFSWLBJLFJJW-GOSISDBHSA-N 450.517 1.348 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1503264661 GXUKYZLZDNICBS-FXAWDEMLSA-N 476.603 1.728 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCc1ccc(S(N)(=O)=O)cc1 1507544424 WBIIHBOZHPUVOH-HNNXBMFYSA-N 472.596 1.618 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cnnn2C)c1 1507551135 BEFQADCXFFPTRL-UWJYYQICSA-N 464.530 1.235 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccnc1OCC(F)F)[C@@H]1CCS(=O)(=O)C1 1507631699 RVACKAPAMKNVBY-MRXNPFEDSA-N 489.508 1.449 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)COC 1507702651 WANXUORYZYTYBL-PXNSSMCTSA-N 479.578 1.672 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1507723722 RWYXUQVNTKBKQF-ZWKOTPCHSA-N 457.579 1.384 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2Cc2ncn(C)n2)CC1 1507735512 BJNFRGSPUVYYIO-GOSISDBHSA-N 492.584 1.959 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCCCOC)CC1 1507737775 FEGGDZXBIKJWNN-UHFFFAOYSA-N 491.596 1.975 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCS(=O)(=O)N(C)C)CC1 1507738024 IDDNWZHKKSRZOM-UHFFFAOYSA-N 497.625 1.294 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCC(=O)N2CCOCC2)CC1 1507740453 AGOJSVIMPPSMBF-UHFFFAOYSA-N 498.559 1.211 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1508080466 PAWWBYCLUDAJBW-QGZVFWFLSA-N 457.535 1.372 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1508086896 PUIKIBNOHNZXFI-OAHLLOKOSA-N 458.513 1.944 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1508089273 FHOZFUNEXQCIHF-MPGHIAIKSA-N 463.560 1.351 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1508145035 ZUEJFHCHJUSCSZ-AZUAARDMSA-N 484.582 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C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1690717424 FRIKABOCYCFINU-VQTJNVASSA-N 457.556 1.802 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C(C)C)CC1 1690743579 DDIWIXGTKHXGDN-KRWDZBQOSA-N 455.650 1.794 30 10 JDEE CCCN1CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 1695363633 GYUCWAPCAOOVII-JOCHJYFZSA-N 494.644 1.671 30 10 JDEE CCNC(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)[C@H]2CC)CCC1 1695919148 CDKPHTGIHJRGNY-LJQANCHMSA-N 465.558 1.750 30 10 JDEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1697934156 BCSZTECLHUJIFR-FDDCHVKYSA-N 469.546 1.072 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1705559316 XQQMHLZVKFMCEW-MBSDFSHPSA-N 479.647 1.764 30 10 JDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1705562080 XRYXWNPCKDWWGH-OALUTQOASA-N 453.572 1.624 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1705564320 AUASVIARIVAQFT-SFHVURJKSA-N 458.519 1.523 30 10 JDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCN(C(=O)OC)CC1 1705622233 BRSLQTYTJSKLOM-HSZRJFAPSA-N 463.579 1.883 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nccc(C(F)(F)F)n1 1705628400 FRXANJMJVRBCKJ-CQSZACIVSA-N 472.493 1.318 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1705653086 YLNPTWBELMVARX-OAQYLSRUSA-N 483.569 1.523 30 10 JDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOC)CC1 1705661751 IMNCJJGBIPHZDR-UHFFFAOYSA-N 470.647 1.587 30 10 JDEE C=C(Br)Cn1c(N2CCN(C(=O)COC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705692500 LCNGZAQZFBOXAP-IBGZPJMESA-N 472.384 1.522 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC1 1705860353 HQMUOPHJEYMXGQ-RTWAWAEBSA-N 486.598 1.712 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1705894431 YXYOYQYREWRLLL-OAQYLSRUSA-N 465.602 1.917 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)[C@H](C)C1 1705997929 RSEJLTDOKABKPO-DYESRHJHSA-N 454.531 1.591 30 10 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1.941 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1722448085 REABOBZZMVMUCU-WOJBJXKFSA-N 494.587 1.842 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCc2ccc(OC)cc2)CC1 1722448604 WBIJBFULLBYSRC-NRFANRHFSA-N 480.569 1.420 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722501152 WEDNWKDHVXLRHJ-ZFMNYDKASA-N 497.662 1.844 30 10 JDEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722685022 JTKSERUKEPPOAK-CRAIPNDOSA-N 452.515 1.611 30 10 JDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1722685260 BGZDSZOSWVDISI-QGZVFWFLSA-N 459.572 1.727 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1722696893 UBMZWBDYMOEZGT-UHFFFAOYSA-N 467.574 1.982 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1722711937 JWWSXWQRHPJNMK-FQEVSTJZSA-N 475.553 1.693 30 10 JDEE Cc1nccn1CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1725688375 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C#CCN(c1nnc(C(C)(C)C)n1CCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 1748802477 QGPUBDVYSWULNV-QGZVFWFLSA-N 490.630 1.457 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCCN1c1cc(NC)ncn1)[C@@H]1CCS(=O)(=O)C1 1748817079 DTMXUIXCIMCBPF-RTBURBONSA-N 486.646 1.604 30 10 JDEE C#CCN(c1nnc(COCC)n1CCc1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1748825350 XWTZJRINFYBJAM-GOSISDBHSA-N 460.556 1.455 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1748988964 DDRZXIHBKFQSHV-RTWAWAEBSA-N 462.664 1.303 30 10 JDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1749193237 BVHYMWRTROAWIG-HOTGVXAUSA-N 455.581 1.486 30 10 JDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749236036 ZHONEXVJWVSZLU-HNNXBMFYSA-N 453.590 1.486 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCc2ccccc2)CC1 1749630628 UQGYPGZOQXRYQW-FQEVSTJZSA-N 460.604 1.162 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1749650227 NYPNBTUGAFWBKP-UHFFFAOYSA-N 450.543 1.916 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](C(=O)OC)C1 1749727038 LSYFVYPQYFOUDC-MRXNPFEDSA-N 478.571 1.953 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1749727184 PDHDSMWZGRJTKW-SFHVURJKSA-N 463.585 1.431 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CC1(C)C 1751220558 DZQNPIJMPIUZJB-RDJZCZTQSA-N 458.592 1.528 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1CCC 1760116445 HISKACJDUPAWLJ-IPMKNSEASA-N 452.625 1.333 30 10 JDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1760144630 WUUXPIQZNXMFOX-UHFFFAOYSA-N 462.551 1.480 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC)c1OC 1760219946 TVSYCHFKEHPCJD-LJQANCHMSA-N 486.594 1.912 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1760267899 FHJJFOMVVQYPPA-UHFFFAOYSA-N 494.621 1.896 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(C)COCCO2)CC1 1760271324 UJPNZKJUDPGYIG-QHCPKHFHSA-N 486.598 1.041 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1760272758 UVIRAWYAJUMPEV-UHFFFAOYSA-N 475.663 1.354 30 10 JDEE C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1760509010 DCLMCYRKFZYKDH-UHFFFAOYSA-N 477.587 1.779 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCN(C(C)=O)CC1 1760519824 QXVDQUBECKFDLY-UHFFFAOYSA-N 456.547 1.713 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(C)C)C1 1760521599 YDKZUBACIXUASH-IBGZPJMESA-N 465.558 1.838 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC(CNC(C)=O)CC1 1760556584 IUZQTDGOXYRPTQ-UHFFFAOYSA-N 466.633 1.587 30 10 JDEE CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CC1 1765496799 AOTSRANGMASHBH-DENIHFKCSA-N 485.658 1.856 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1768292708 HUOHDYQXERJGIO-BBRMVZONSA-N 472.493 1.912 30 10 JDEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCCC[C@@H]2C)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865732587 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VEPSMMOXIWTMMO-UHFFFAOYSA-N 498.403 1.595 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2CCOC[C@@H]2C1 1540899851 CETSOOYMKZJYAM-KRWDZBQOSA-N 482.006 1.729 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(F)(F)F)CC1 1540905501 WRWVNSYWBZERGG-UHFFFAOYSA-N 497.547 1.802 30 10 JDEE C[C@@H]1CCC[C@](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)(N(C)C)C1 1543883764 BNZQBCOLCUPOOP-YXTQBTIXSA-N 481.667 1.860 30 10 JDEE COc1cc(OC)c(CCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)c(OC)c1 1554782714 BMCZJHKPGWAZPR-ZHRRBRCNSA-N 458.494 1.940 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC1CCCCC1 1587638677 GSNJMLMLMBLEIF-PKOBYXMFSA-N 453.609 1.808 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CCOCC2)CC1 1587705597 GJJYDHVKTCDJIJ-SFHVURJKSA-N 452.625 1.240 30 10 JDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1587754816 NSUVSWYPUNSRJO-MRXNPFEDSA-N 464.617 1.665 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCS(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588034331 DHHVAOOPZIFGMR-WOJBJXKFSA-N 493.655 1.338 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1588039796 FLHFWIQDKSOPKT-KRWDZBQOSA-N 479.990 1.552 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1588068855 AVFMRSAKWGZFRV-HNNXBMFYSA-N 490.636 1.710 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1588069445 OHFHCDHVCFEXGX-IBGZPJMESA-N 468.583 1.882 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(O)CC(OCC)C2)CC1 1588762533 JMLRWKFGVXHMPK-UHFFFAOYSA-N 485.585 1.656 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1588923934 QUUGKCFZKFFWPF-UHFFFAOYSA-N 488.596 1.690 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCS(=O)(=O)C1 1589164713 ZTCCTWJUVODBJT-RTBURBONSA-N 482.404 1.588 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1589560000 WJBQVLIOBBRKDY-ZJOUEHCJSA-N 460.604 1.763 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(OC)c2)CC1 1595570092 XEOCUMKMTCTWPY-UHFFFAOYSA-N 453.547 1.038 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1595797100 DRXMPPLYFYFEOR-MSOLQXFVSA-N 453.609 1.814 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1595806010 ZGUQRTOSFARDBU-GUDVDZBRSA-N 482.603 1.723 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](NC(=O)C(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1595830418 BNHGPAJFHIRICE-FDDCHVKYSA-N 497.662 1.662 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H](C)N(C)C 1611708682 DNKBAVKFNIGWFF-QZTJIDSGSA-N 474.635 1.032 30 10 JDEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1613030353 DUHJHJQPKFMFHK-DKZVUGQWSA-N 475.571 1.282 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccc(Cl)s2)C1 1620171434 AVQNTJWQCRNAPW-UKRRQHHQSA-N 487.007 1.297 30 10 JDEE C=CC[C@]1(C(=O)N2CCN([C@@]3(C(=O)OC)CCOC3)CC2)CCCN1C(=O)OC(C)(C)C 1629779148 LOBPEWZILCLAEB-PKTZIBPZSA-N 451.564 1.809 30 10 JDEE C=CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)CC1 1638656671 RSRQPHYDOPBNNH-UHFFFAOYSA-N 451.589 1.565 30 10 JDEE C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1653518579 GXTFJJGELLAMEO-ZDUSSCGKSA-N 454.496 1.348 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1689875190 MEVFPGVAGLJGHZ-DLBZAZTESA-N 452.625 1.823 30 10 JDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(Br)c1 1689946361 PUQRRLMFGZUEFB-CYBMUJFWSA-N 470.393 1.972 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1689980949 ZURSFTSFDZMZPM-VAMGGRTRSA-N 455.584 1.725 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690101027 LJSWSFONWXCKMF-FPOVZHCZSA-N 472.615 1.939 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(Cl)s2)CC1 1690137165 OYHGMLYRTVKOOV-AWEZNQCLSA-N 499.062 1.812 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(O)cc2)CC1 1690146186 HSSIYIHZWWXOBG-LJQANCHMSA-N 471.583 1.094 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690190030 JNVSBEOVLBXDIS-TWFHAPMSSA-N 498.675 1.085 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690237888 BTXZMDXOZMDNPJ-MANSERQUSA-N 476.578 1.456 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=C)Br)CC1 1690411200 HNAJEESOGLYZMG-HNNXBMFYSA-N 460.398 1.922 30 10 JDEE C=CCSCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690749424 CKPXUFUTCPVXHY-UHFFFAOYSA-N 468.627 1.910 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC(C)C)c1ccccc1OC 1705552235 WOAMAXSGKCCEHY-SFTDATJTSA-N 491.614 1.855 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1705564039 JWJNHILKOFSLKL-INIZCTEOSA-N 459.503 1.894 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705597354 CJJQUWDPKLUUQR-WIYYLYMNSA-N 469.567 1.535 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705701725 CTKSMCAYVBIRND-GHTZIAJQSA-N 456.595 1.306 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1705900201 UCHGYQIUZOXTTN-UHFFFAOYSA-N 458.526 1.849 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1705903603 YQOVJYHLPMXZHT-MRXNPFEDSA-N 460.608 1.953 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1705932662 XOMASQHRSVCXOD-UHFFFAOYSA-N 486.520 1.836 30 10 JDEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCCO2)CC1 1706004206 FTWRJUHHDFEPAB-HSZRJFAPSA-N 481.601 1.898 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1722358457 BXUTZLSHZAFZGM-SFHVURJKSA-N 474.564 1.617 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1722366520 RIGDTSUXZFAAEQ-IBGZPJMESA-N 471.583 1.030 30 10 JDEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1722366634 RXXHQOYOBJKYFR-QGZVFWFLSA-N 494.415 1.813 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722372377 VHYCFWPTAMIBCW-HXUWFJFHSA-N 499.593 1.287 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C)C1=O 1722381517 RBTAKXBYAFHKEL-KOSHJBKYSA-N 454.575 1.944 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1722399991 HNDQLIXSTTYLON-SFHVURJKSA-N 461.613 1.983 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CCC)C1 1722509222 OCCYOAOJVHRBON-WCIQWLHISA-N 483.635 1.598 30 10 JDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1728185784 GCEOUIZADCOIOB-FQEVSTJZSA-N 485.614 1.737 30 10 JDEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(O)CCO[C@H]2C)c2ccccc2c1=O 1728639498 ARGPGCCPFSFJKE-VBURHUQHSA-N 451.531 1.953 30 10 JDEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)C1 1731014241 GFGSRAYUDDOHOZ-DYESRHJHSA-N 476.628 1.450 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(N(C)C)CCSC2)c1 1740563277 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COc1[nH]c(=N[C@@H]2CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)ccc1B1OC(C)(C)C(C)(C)O1 2365345148 XYNHRJGYPDTYNU-UAGQMJEPSA-N 461.368 1.858 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)cc2C1=O 15039347 YANGBDCELRRTBN-UHFFFAOYSA-N 475.473 1.894 30 10 JDEE COc1cccc(C/N=C(\Nc2ccc(C(=O)O)cc2)N2CCN(CC(=O)N3CCOCC3)CC2)c1 21047205 XUUYXAAMEPKEDW-UHFFFAOYSA-N 495.580 1.838 30 10 JDEE CCc1cccc(OC[C@H](O)Cn2c(N/N=C/c3ccc(O)cc3)nc3c2c(=O)n(C)c(=O)n3C)c1 606630641 YOXJAFSYZWFJIP-KXQYEYADSA-N 492.536 1.588 30 10 JDEE COC(=O)C1=C(C(=O)c2ccc(N3CCOCC3)cc2)[C@@H](c2cnn3ccccc23)NC(=S)N1 729661713 IFZOWTNRNWJEDL-HXUWFJFHSA-N 477.546 2.000 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1N(C)CCCC1(C)C 1286294962 HCFUTXYPTUBQIR-BZSNNMDCSA-N 452.625 1.189 30 10 JDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1286336979 SGTVHMLMRVMSLE-UHFFFAOYSA-N 488.589 1.854 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1286384580 IPVJLVOCWMVJHW-SQNIBIBYSA-N 478.546 1.599 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(C)ccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1286390261 ZIVNSWUPACQRAB-SJORKVTESA-N 493.536 1.814 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN2CCOC[C@H]2C)CC1 1286484473 KYOIAXMFURSZFI-JOCHJYFZSA-N 452.603 1.950 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCN(C)S(=O)(=O)CC)CC1 1286490615 NPROSELFUDIAAR-UHFFFAOYSA-N 487.630 1.286 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)S[C@H](C)C1 1286541138 HJXSNORZVDHHNL-MJBXVCDLSA-N 480.454 1.850 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1286780052 AMXQLZUDBRYPQL-UHFFFAOYSA-N 489.584 1.874 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1286797865 CUVLQTNPBAYGGI-GOSISDBHSA-N 497.581 1.663 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCOCC1 1286814563 CEEMRPFJMUORPQ-UHFFFAOYSA-N 466.560 1.798 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CCCn1cnnn1 1300641113 BREQNNPFWPGQIL-UHFFFAOYSA-N 460.477 1.781 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccncc2)CC1 1300716157 JSGOCXGSVBPHML-XMMPIXPASA-N 452.559 1.534 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2cccs2)N(C)C)CC1 1300729221 RCAOVQXSGPFJQV-IBGZPJMESA-N 483.642 1.731 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCCC2=O)C1 1300848526 GQZQDUMKXCKJRO-KGLIPLIRSA-N 458.382 1.290 30 10 JDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@@H]1C 1300991458 MVPJXPSNPZLZEI-KRWDZBQOSA-N 465.558 1.842 30 10 JDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1301208799 DWIHXUXHJWQFNH-SFHVURJKSA-N 457.564 1.405 30 10 JDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1301249366 SGCDLFMZTJGFSX-UHFFFAOYSA-N 451.531 1.939 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1301258461 SWHOSJVSGAPNGG-FHWLQOOXSA-N 453.609 1.973 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)C1 1301258633 XAEWCPJSWUOZOV-YLJYHZDGSA-N 457.597 1.209 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)nc1 1301338470 ZHYNCSRAHWCOFN-IBGZPJMESA-N 496.593 1.924 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC(=O)NC2CC2)CC1 1301490318 QRYBUFZHURZGGS-UHFFFAOYSA-N 487.992 1.310 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)CC[C@H]2C1 1301593240 KPMZLYSYEUDXRO-INIZCTEOSA-N 463.535 1.408 30 10 JDEE Cn1cc(C[C@@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCNS(C)(=O)=O)C2)cn1 1314899392 HUODMHXLSFUSER-KRWDZBQOSA-N 454.560 1.168 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C(N)=O)CCCC1 1358876033 AUAOASQWUUDCKR-MRXNPFEDSA-N 458.588 1.699 30 10 JDEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1358961356 XFFDNMQNYYECPP-INIZCTEOSA-N 468.583 1.825 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1358965876 CYCQQEKWIWJVKF-IBGZPJMESA-N 473.599 1.223 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(C(N)=O)CCCC1 1358981333 GFGDHRDZTPKPIY-UHFFFAOYSA-N 473.625 1.761 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC12CCC(CC1)C2 1359024710 TWNYVVOCFDNFQN-WBTXTPOCSA-N 451.593 1.277 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC(=O)NC2CCCCC2)CC1 1359030996 MPPBBNMUJDYKTO-XMMPIXPASA-N 458.607 1.524 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)C)C1 1359099226 LHWJFYUFRCUBQA-ZRNYENFQSA-N 483.635 1.453 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COC)C1 1359133679 XNGIRHXEERFEAM-MSOLQXFVSA-N 457.597 1.067 30 10 JDEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1359153465 GPWVAYUCLXCRFC-UHFFFAOYSA-N 462.967 1.150 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1359189154 CCQPUUKTGHUPBN-MSOLQXFVSA-N 498.650 1.928 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ncccc2F)CC1 1359327220 VULYQQIIULQLNA-UHFFFAOYSA-N 479.582 1.268 30 10 JDEE C=C(CCC(=O)OC)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1463590942 UCNLQLLPAHECRT-UHFFFAOYSA-N 451.364 1.853 30 10 JDEE CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N2CCN(c3ccc(C#N)cn3)CC2)cc1 1473118414 HHZGEJJKNVKCTD-KRWDZBQOSA-N 456.572 1.789 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1CCS(=O)(=O)CC1 1507519699 UENDPBFYZRIQNR-OAHLLOKOSA-N 478.644 1.829 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(F)c(Cl)c1 1507538615 OAVMQHIZPRVDQF-KDOFPFPSSA-N 485.969 1.940 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1507628386 WMZOOIFQBZWKJI-MOPGFXCFSA-N 472.567 1.934 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCOc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1507632058 IQHVAGNSZXCEFL-FXAWDEMLSA-N 487.582 1.334 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([S@@](C)=O)CCC1 1507644841 OJGZTOMSGMHWML-WJOKGBTCSA-N 473.624 1.569 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOCCN(C)C)CC1 1507717912 IYZGBPSCVNJYGV-UHFFFAOYSA-N 450.385 1.369 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1507897582 SCCYCIQRFZHELB-MAUKXSAKSA-N 478.594 1.774 30 10 JDEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1507933409 MOZCFUVUEURDGH-UHFFFAOYSA-N 471.516 1.839 30 10 JDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1507941694 JGQWRYVOKVSMBU-UHFFFAOYSA-N 453.590 1.396 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccccc2OC)CC1 1508084273 KXQRTOAQWDIFEL-UHFFFAOYSA-N 461.570 1.897 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2cnn(CC)c2)CC1 1508090606 JJEUMEKSROIXLK-KRWDZBQOSA-N 461.592 1.083 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1508093587 VHACIAUIKHQDON-VWLOTQADSA-N 495.584 1.591 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCN(C)C(=O)[C@H]1C 1508149928 YLWLRFQKSSUTCJ-OAHLLOKOSA-N 451.524 1.264 30 10 JDEE C[C@H](CC#N)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1509946524 HGKWRAABJXNIMZ-OTPAQWSUSA-N 467.618 1.921 30 10 JDEE Cc1c(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCO[C@@H](C#N)C2)cnn1C 1510499701 GNJWEACCNMXBJO-SFHVURJKSA-N 470.559 1.014 30 10 JDEE C=C(C)COCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1525655728 VVTVIEFAJGVNQZ-UHFFFAOYSA-N 451.589 1.625 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1539203623 SUEKZRYUBFIXJZ-HZPDHXFCSA-N 457.622 1.095 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1539230474 MVABNINIDNYESW-XXBNENTESA-N 485.566 1.161 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1539231627 WJAICFQQVKRRMC-HKUYNNGSSA-N 457.556 1.638 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1539430067 GEUWGCQSFJUMKM-MOPGFXCFSA-N 490.605 1.594 30 10 JDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1539743774 QRFNZOVFFWNJAG-GOSISDBHSA-N 450.609 1.984 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2F)CC1 1540858012 BARZMMXTKJZHEQ-SFHVURJKSA-N 450.540 1.263 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1540862312 YMMRETLSZOMHJX-NRFANRHFSA-N 495.628 1.998 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCS(=O)CC1 1540869224 FXCMGJOPHDVKGT-UHFFFAOYSA-N 469.571 1.107 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC2CCOCC2)CC1 1540874720 PMPJFPXDSPIENU-UHFFFAOYSA-N 479.585 1.580 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1540899180 GFUBXFATCXPTGH-OAQYLSRUSA-N 456.528 1.448 30 10 JDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1540911436 XUWVJVAJPFWIEB-SFHVURJKSA-N 499.684 1.738 30 10 JDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCN(C(C)=O)C2)cc1 1554978696 DAISFPDJRKNYHE-NQIIRXRSSA-N 454.531 1.853 30 10 JDEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H](O)C(N)=O 1556459844 FFUAIIJSISTQMP-WOJBJXKFSA-N 457.914 1.999 30 10 JDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1 1561154663 IMNIWFJNDZMCNO-ZDUSSCGKSA-N 454.567 1.340 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)s1 1569897801 DZCXNISYIOEQJL-LBPRGKRZSA-N 453.508 1.672 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cnc2c(Cl)cnn2c1 1587562891 UWXKOEJRZULDMY-QWHCGFSZSA-N 450.956 1.285 30 10 JDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCS(=O)(=O)CC 1587754821 NWQXVJJDRHKPII-UHFFFAOYSA-N 456.572 1.866 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCNC(=O)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1588054922 PYMYKJFQSJCLBC-ROUUACIJSA-N 489.573 1.368 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588064712 NRXDLBWCOWEAOA-QGZVFWFLSA-N 461.613 1.603 30 10 JDEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nnn1Cc1ccncc1 1588157789 HNDGYTWSCTVSFW-UHFFFAOYSA-N 451.512 1.048 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CCS(=O)(=O)NC 1588594571 IRUJUMHWCYNIDV-UHFFFAOYSA-N 462.395 1.404 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCN2CCN(c3ccncc3)CC2)CC1 1588884997 QJSQEYHVZLUOKY-UHFFFAOYSA-N 478.645 1.975 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCNC(=O)C(C)C)CC1 1588946623 GLGCFKHKLGKRAZ-UHFFFAOYSA-N 466.586 1.616 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C 1589579059 JGURPSOIMYQSBC-RTBURBONSA-N 474.606 1.064 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1N1CCCC1 1595551141 MNACOQICRWFSSI-IBGZPJMESA-N 472.615 1.719 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C(=O)NCC)CCC2)C1 1595722141 JESLZWDJPBCZEU-IAGOWNOFSA-N 451.593 1.268 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCN(Cc2ccccc2)CC1 1596830605 CRWINVMAOHAVLM-IRLDBZIGSA-N 485.658 1.594 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CO[C@@H]2[C@@H]1OC[C@H]2n1nnnc1Oc1ccccc1 1616125154 CONNEZYZJWWXOW-RWQQGDIJSA-N 454.468 1.023 30 10 JDEE COc1cccc(C(=O)NCCn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)c1 1619329778 GUWKYEQMNHMJBM-MRXNPFEDSA-N 461.530 1.402 30 10 JDEE Cc1ccc([C@@H](CN2CCOCC2)NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 1623504674 DODGWDNYSADZHX-PGRDOPGGSA-N 456.568 1.723 30 10 JDEE C#CCN1CCN(C(=O)[C@@H](Cc2cccc(Br)c2)[C@@H]2CCS(=O)(=O)C2)CC1 1631503439 DYTJTKYMCIHZDU-MJGOQNOKSA-N 453.402 1.820 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCO[C@H](CNC(=O)OC(C)(C)C)C2)c1 1637500141 FKTNZWILBJFFFN-QGZVFWFLSA-N 451.545 1.354 30 10 JDEE C#CCN(CC(=O)N(Cc1ccccc1)c1c(O)nc(=O)n(CCCC)c1N)C1CSC1 1643771012 BWSFUOAQLPNWKZ-UHFFFAOYSA-N 455.584 1.915 30 10 JDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCCc3ccc(S(N)(=O)=O)cc32)CC1 1653677085 DYCDDNNEHJLDAH-IBGZPJMESA-N 459.597 1.557 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)CC1 1675868075 XOBIQWRKFFYNBQ-IBGZPJMESA-N 453.996 1.272 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1689982391 MBZRDKJKVOMCGL-FQEVSTJZSA-N 470.555 1.742 30 10 JDEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1689982977 YGKJSTFTPCOJSY-IBGZPJMESA-N 478.640 1.914 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1689984128 LRMBDHDZFSCPFF-SFHVURJKSA-N 457.556 1.107 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc([C@@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1689987719 BEOSJBBGZHLJOJ-APWZRJJASA-N 452.540 1.463 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1689993301 AKGJXOXFOIBEEX-GOSISDBHSA-N 456.572 1.568 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1689994218 UFCRTMXWPJBIFT-LJQANCHMSA-N 464.613 1.125 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)N1CCCC1 1690019923 UYRNNYYAKQOGDM-GOTSBHOMSA-N 496.637 1.521 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1690046983 JOPIHJKNTYNIOM-LJQANCHMSA-N 467.599 1.350 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCn2cc(Br)cn2)CC1 1690110585 RTNFIDCVFDQPNQ-UHFFFAOYSA-N 484.362 1.340 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(OCC)c2)CC1 1690145994 CLIVTMOPKNHYOT-NRFANRHFSA-N 499.637 1.787 30 10 JDEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCC(=O)NC 1690157608 KPXZZYLWLIKQSI-UHFFFAOYSA-N 463.633 1.485 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1690174792 KFHQIOZUHNGNPG-WOJBJXKFSA-N 471.608 1.996 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1690254850 JQDKXUYHIGFTPN-RTBURBONSA-N 458.607 1.828 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1690676047 NRYQYVZTMUNHIE-UHFFFAOYSA-N 492.584 1.901 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OCC)cc2)C1 1690700890 ZFNAAOHDRDMOSL-RTWAWAEBSA-N 491.614 1.839 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C(N)=O)C1 1690715144 DTNDTYRXEWARCS-LSDHHAIUSA-N 451.524 1.470 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690717682 NLDKUSQPMOKZLP-UHFFFAOYSA-N 488.570 1.075 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCC(F)(F)F 1705475756 VBSLHYLTOZRJON-GFCCVEGCSA-N 456.856 1.998 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCSCC1 1705481229 BRQRAUVRMBVBTR-KRWDZBQOSA-N 462.645 1.702 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCCN1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 1705564759 PWMDVAINNCVBGD-SFHVURJKSA-N 475.590 1.558 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(N(C)C)CCSC2)CC1 1705644024 FQPYXYORDJHCJL-XMMPIXPASA-N 496.641 1.329 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OC)nc2OC)CC1 1705647617 HWZBEZPZOUYVLN-LJQANCHMSA-N 468.558 1.946 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1705647877 NZDZJNQZBDYOES-FPOVZHCZSA-N 469.634 1.563 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1705944031 SOKOCKQJXWTMFH-SFHVURJKSA-N 490.655 1.968 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1c2ccccc2C[C@H]1C 1706870735 HRJIQLDMTJSUDW-XFQAVAEZSA-N 461.567 1.781 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)N1CCCCC1 1722295428 KEHYXTGOIDVICB-IPMKNSEASA-N 452.625 1.333 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)CN1CCOCC1 1722376126 WYHGOINUQXCIPR-HXUWFJFHSA-N 484.626 1.237 30 10 JDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722426659 FPRNXSPPCNQHLI-SFTDATJTSA-N 489.646 1.430 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722508627 LYGNBTBSHKAXSI-URVUXULASA-N 460.623 1.800 30 10 JDEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722548639 NQKXCJTWGNSVAQ-LBPRGKRZSA-N 465.739 1.607 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC2(CC1)OCCO2 1722618045 OADJRQMQPDPWKJ-SFHVURJKSA-N 469.608 1.699 30 10 JDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722628856 IPOIEESGVGAFIF-HSZRJFAPSA-N 453.547 1.671 30 10 JDEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1722628962 DQXJXMDRDVIFQR-QRVBRYPASA-N 490.605 1.894 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1722695322 ZQZSIGVAMRLEIM-QUCCMNQESA-N 457.531 1.649 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722700095 WLRMSUBKFHNLEB-QPPBQGQZSA-N 493.656 1.858 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2[C@H]1C 1722723635 BCJBOYPGGCQWED-HUUCEWRRSA-N 453.590 1.570 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(C)C)CC1 1722728891 ZZZIORNKPTZBKA-UHFFFAOYSA-N 485.614 1.323 30 10 JDEE CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCNC(=O)C(C)C)C2)CC1 1728624604 CUMIGAXQUPAHCX-JOCHJYFZSA-N 464.618 1.805 30 10 JDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1740595779 YGPXPWSQJGVZJP-QHCPKHFHSA-N 460.586 1.902 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740620760 XSCBTXYDSLBZHP-LJQANCHMSA-N 459.528 1.907 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCOCC1(C)C 1740636962 KHFMEYOEJFOTOT-UHFFFAOYSA-N 469.615 1.422 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@]2(O)CCC[C@@H]2C)n1 1740689024 NZBZPGPQIPNPEQ-FDDCHVKYSA-N 450.547 1.769 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1740704603 URMBZWLDIYARPH-IBGZPJMESA-N 484.626 1.501 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(OCC(N)=O)CC1 1740762216 CGTCFCZRBKENLL-PGRDOPGGSA-N 457.579 1.592 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1740821082 CLGONKVQKNDRKS-HUUCEWRRSA-N 476.987 1.078 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1740875622 GTNVFVNRFCMMAR-HKUYNNGSSA-N 463.608 1.380 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1740876724 LSEUMIIMAOXWDO-IRXDYDNUSA-N 482.632 1.920 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn2ccccc12 1740932946 ZRDRIYRCXPCGDA-IBGZPJMESA-N 457.560 1.485 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(c2cccnn2)CC1 1740964234 LOOUTEZFICPOJA-UHFFFAOYSA-N 468.949 1.929 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1740992652 KQAJAUKQBHODSN-PKOBYXMFSA-N 461.563 1.666 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1740993149 UBLZFNIFRLURHL-OAQYLSRUSA-N 485.614 1.583 30 10 JDEE CN1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CC1(C)C 1748066769 BFBYAEULJDSCEF-UHFFFAOYSA-N 466.590 1.081 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1748808719 GOYZNNTZINMPBV-AWEZNQCLSA-N 456.977 1.270 30 10 JDEE C#CCN(c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748810249 UYXDKTMSJFBFBW-GOSISDBHSA-N 489.598 1.457 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1748817803 QOZNISXPPJKIGA-IAGOWNOFSA-N 464.617 1.592 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCCS1(=O)=O 1748925027 BVRRMVBNNCLVGG-SFHVURJKSA-N 480.635 1.888 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCCc2ccccc2)CC1 1748972066 BGXNTHUQPZVUTM-UHFFFAOYSA-N 472.553 1.040 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2-c2cnn(C)c2)CC1 1748972437 JEEUOZMLOHMYAN-GOSISDBHSA-N 482.614 1.092 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCS(=O)(=O)N(C)C)CC1 1748983622 WBXRNFBWEQXKAD-UHFFFAOYSA-N 454.959 1.384 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H](OC)C(F)(F)F)CC1 1749001581 XDVVMKTWNWCSIE-HNNXBMFYSA-N 458.485 1.350 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1749044610 SPDCDAUBBAGYTF-NRFANRHFSA-N 468.627 1.623 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ncccc2F)CC1 1749214075 UIAQGKULVNEAQL-KRWDZBQOSA-N 481.598 1.732 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cncn1 1749529871 NTWZHTCGTRGOHW-GOSISDBHSA-N 457.560 1.673 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1749609303 MRQIOEICVSMFRO-PGRDOPGGSA-N 486.642 1.914 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](c3ccnn3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1749682222 PPGBUSLUJGJRTI-JPYJTQIMSA-N 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455.563 1.536 30 10 JDEE C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1359283674 LQEZKTTWQWNIIL-SFHVURJKSA-N 450.547 1.473 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1359292683 VVTZVTPUNSQMOP-UHFFFAOYSA-N 494.581 1.642 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCO[C@H](c2noc(C)n2)C1 1359305084 SKCRIGYQOWOMIK-IBGZPJMESA-N 467.530 1.991 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1359333131 OPMFIVCTUFWPBT-HXUWFJFHSA-N 472.615 1.369 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1359336240 JDUVDSRXRJJKGW-SJORKVTESA-N 480.591 1.680 30 10 JDEE CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)s1 1447170976 FCNWOHRYGDGELZ-UHFFFAOYSA-N 458.565 1.850 30 10 JDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(OCCN(C)C)CC1 1464899734 DRWXLVPUEOJHRS-LJQANCHMSA-N 450.605 1.853 30 10 JDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1507536482 DYSSCZVEUKHSMK-PZJWPPBQSA-N 462.602 1.917 30 10 JDEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507562813 OAOZLWSLQPRTIT-UHFFFAOYSA-N 496.612 1.747 30 10 JDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1507575778 HRIDNPPFHZAVNQ-KRWDZBQOSA-N 464.530 1.908 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1C1CCCCC1 1507654025 UQJJLCAKYIOGAT-YADHBBJMSA-N 488.658 1.481 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNS(=O)(=O)CC 1507771777 IJXKXUWNRNXJJY-HYFFOGBASA-N 480.635 1.980 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NC)CC1 1507804390 JMZBKZXILVGZSX-PKOBYXMFSA-N 453.547 1.869 30 10 JDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCS(=O)(=O)N2CCSCC2)CC1 1507887294 BTIYYAKPHMMYDP-UHFFFAOYSA-N 496.684 1.805 30 10 JDEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCS(=O)(=O)N(C)C)CC1 1507898335 XDTIHOAPDCVDMU-UHFFFAOYSA-N 467.617 1.642 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1507916828 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495.005 1.886 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@@H](C2CCC2)C1 1540904427 NEJJKNUMXBRUDF-MSOLQXFVSA-N 472.633 1.034 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(c2cnn(C)c2)CC1 1540907876 LBUUKVIRSQDEQJ-ICSRJNTNSA-N 478.619 1.720 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1cc(Br)cn1 1541104549 AEAGMGMMTFSMNX-CHWSQXEVSA-N 473.401 1.533 30 10 JDEE CC(C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1541246909 GXIVWAJPEJFFOT-UHFFFAOYSA-N 460.542 1.890 30 10 JDEE CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCO[C@H]1C 1548162592 AMJIBCFKVXXNRT-CYFREDJKSA-N 454.575 1.938 30 10 JDEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1548178207 DVKRGCVOYTVQMR-HXUWFJFHSA-N 458.588 1.443 30 10 JDEE COc1ccc(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cc1 1554900016 BYZIMXDTIXTZSG-XLIONFOSSA-N 476.603 1.991 30 10 JDEE C#CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1587739070 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N[C@@H](CC/C(O)=N/[C@@H](CS[C@@H]1c2cccc([N+](=O)[O-])c2C=C[C@H]1O)/C(O)=N/CC(=O)O)C(=O)O 30728537 ASZHPHJDCUIIBF-FHKFTOANSA-N 496.498 1.315 30 10 JDEE in-man,metabolite C=CCOC[C@H](O)CN(CCOC)Cc1nc2sc(C(=O)OC(C)C)c(C)c2c(=O)[nH]1 36207391 ITWCWURPZPSUMN-OAHLLOKOSA-N 453.561 1.870 30 10 JDEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc(S(=O)(=O)NCC)cc3)n[nH]2)cn1 59832046 TVZWRUNDGYKYAB-KEBDBYFISA-N 489.587 1.662 30 10 JDEE CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cc([N+](=O)[O-])ccc3Cl)c2=O)cn1 726180292 FNFCGOZVSGEBDR-UHFFFAOYSA-N 484.925 1.459 30 10 JDEE C#CCN1C(=O)[C@H]2[C@H](C1=O)[C@](CCSC)(C(=O)O)N[C@H]2[C@@H]1C=C[C](Br)S1 1088595100 LXFKAXPUUBNIDF-YQHUTTAYSA-N 458.379 1.325 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)n1 1128570824 UQQHEDNFPBTBCY-HXUWFJFHSA-N 458.584 1.901 30 10 JDEE COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1187789773 ATSZFHVOWRWBSJ-ZDUSSCGKSA-N 459.546 1.232 30 10 JDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)C(C)(C)C 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C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(CCN(C)C)CC1 1300441457 OXGHKFLMIDICFR-UHFFFAOYSA-N 458.632 1.692 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1300490721 CGBPDIMRBGXKFI-MRXNPFEDSA-N 457.585 1.678 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1CC1(OCCOC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1300491783 ISYVVDAKCOMUHY-FQEVSTJZSA-N 480.631 1.775 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300492265 MHEARCMZJTVWRV-KGVIQGDOSA-N 463.604 1.187 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCCN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1300496889 VVICUWZLFQJOFK-VXKWHMMOSA-N 492.690 1.217 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1300498174 IEOAMLNEDPHUDY-SFHVURJKSA-N 463.991 1.627 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cc(F)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1300506640 XCMFBFCEKQXPGU-CUWPLCDZSA-N 492.573 1.825 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)F 1300577900 DZFVJGRVDQQSFX-MRXNPFEDSA-N 480.516 1.431 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1300695896 OMZPFUNNXQICKA-UHFFFAOYSA-N 471.612 1.444 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCOCc2ccccc2)CC1 1300710427 ARMWRMAKOOXADM-UHFFFAOYSA-N 464.570 1.697 30 10 JDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1300996742 JCLNKHWCPDKSJC-UHFFFAOYSA-N 460.579 1.068 30 10 JDEE COC[C@@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@](F)(C#N)C1)OC 1301028722 AIOUVRXEJOEIJB-QPPBQGQZSA-N 471.581 1.746 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(OCC(N)=O)c2)CC1 1301106882 XTMDTAJAHIKYKT-OAHLLOKOSA-N 462.576 1.203 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1301197619 WAPCSTAZLUCAET-GOSISDBHSA-N 460.604 1.746 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1301236543 HBHLWVJPTZFPGM-IRLDBZIGSA-N 487.649 1.486 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1301436155 QRUYZRMNMRSEDN-UHFFFAOYSA-N 482.632 1.290 30 10 JDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1301508620 OKADSCOKKFWXBH-DENIHFKCSA-N 471.650 1.692 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1301567918 MTXQSPXOCVTZOP-MRXNPFEDSA-N 482.607 1.218 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)OCC)CC1 1301593236 KNJXCYRVLYPJGJ-UHFFFAOYSA-N 481.550 1.876 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nc(C)cs2)CCO1 1301911169 HLDDQROSIBEOOT-LJQANCHMSA-N 467.555 1.883 30 10 JDEE CN(C)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)CCOCC1 1314657813 GUNHNYASVJNMEK-GOSISDBHSA-N 453.547 1.151 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N2CCOCC2)CC(OCC)C1 1358900710 QUVKGCWXMUAAOB-RESUONLQSA-N 461.607 1.730 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358955507 NDXMBCHVOGQPPO-FHWLQOOXSA-N 451.637 1.916 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCCNS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1358959019 AAKDRYPNFIWEAD-MRXNPFEDSA-N 483.591 1.040 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358959356 HHAFXKZVXNDEKF-SJLPKXTDSA-N 459.572 1.293 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358960597 ICTOMFVFFWNVTI-IRLDBZIGSA-N 486.642 1.632 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1359024319 KPJCIENDJZLRFO-PZJWPPBQSA-N 454.575 1.927 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCOCC2)c1 1359024877 XSUPXPGNHPKFNN-FQEVSTJZSA-N 473.599 1.151 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc(N3CCOCC3)c2)CC1 1359029701 FQHMBMHHBYNTKF-NRFANRHFSA-N 468.602 1.642 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(-n3cccn3)cc2)CC1 1359040224 MKAYRTRVLUKVTP-UHFFFAOYSA-N 488.596 1.811 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCO[C@H](C)C2)CC1 1359047240 XMYQNMXAYZSVFR-WOJBJXKFSA-N 453.591 1.921 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](CNC(C)=O)C1 1359104150 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479.603 1.670 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539200584 LEUADOLPZKTPMB-NHCUHLMSSA-N 490.674 1.795 30 10 JDEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(Br)n1)[C@@H]1CCS(=O)(=O)C1 1539216429 RNTONKQXQKGCRX-OAHLLOKOSA-N 450.362 1.988 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC(=O)N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1539216849 XPULKWXPPVJLGG-SFHVURJKSA-N 458.588 1.693 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1539224873 JJRFSKXHNRJBHK-JOCHJYFZSA-N 492.605 1.641 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(N(C)C)nc1 1539257412 JFAFYERRCJHWJU-UHFFFAOYSA-N 462.583 1.820 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccc(F)cc1 1539369717 OKRHFEUTZDLNAN-MOPGFXCFSA-N 465.551 1.597 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(n1)CCCC2 1539415304 CGTZFLLNCHIFRN-NRFANRHFSA-N 488.614 1.019 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 1539445670 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C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)=O)C[C@H]2C)cc1 1540877176 MVPNGNPRVDODHD-IAGOWNOFSA-N 476.603 1.558 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1 1545355653 HTICJMCDCFCCQH-QAPCUYQASA-N 451.545 1.352 30 10 JDEE CCN(CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1547492254 GLDXJXIGLQVEST-IBGZPJMESA-N 468.610 1.201 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1588028977 BJTAYSKMAQBYIM-FQEVSTJZSA-N 481.582 1.740 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1588029382 HBXUIWVXXRUYHD-SFHVURJKSA-N 474.587 1.275 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(N2CCOCC2)nc1)[C@H]1CCS(=O)(=O)C1 1588059558 QGWQQIRQOSLFJK-FQEVSTJZSA-N 472.615 1.383 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1588068983 DJYJUPRPNTWICW-KRWDZBQOSA-N 495.552 1.482 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1588069446 OHFHCDHVCFEXGX-LJQANCHMSA-N 468.583 1.882 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1589060232 PFFXXRXBQVZTER-AWEZNQCLSA-N 460.589 1.302 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC)CC1 1589543670 AJFKFEVDFPSOBE-BZSNNMDCSA-N 467.592 1.440 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCCS(C)(=O)=O)CC1 1594241566 UXMZDBUHJQYWGZ-SFHVURJKSA-N 489.664 1.228 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1595812654 YIOADSZGUJOFSG-UHFFFAOYSA-N 484.557 1.857 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1595837743 CKLISUHJGLERDC-ZWKOTPCHSA-N 450.565 1.141 30 10 JDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1595866405 JPLITLJWGNTYHV-UHFFFAOYSA-N 486.646 1.538 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)Cc1ccccc1 1611307324 AZZGDRYCTZIZBM-PKOBYXMFSA-N 489.602 1.008 30 10 JDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(CNC(=O)c2ccccn2)CC1 1636647599 CHFQNHVBSJGSKG-MRXNPFEDSA-N 455.540 1.289 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC2(NC(=O)OC(C)(C)C)CCOCC2)c1 1645506353 YOHRHORKOXMQHG-UHFFFAOYSA-N 451.545 1.402 30 10 JDEE C#CCN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(CC)CC1)C(=O)OC(C)(C)C 1648768825 ZNYWUEUVYXCFDC-NRFANRHFSA-N 456.587 1.748 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1 1681569630 CDDCZVHGVTYWRD-SFHVURJKSA-N 453.524 1.380 30 10 JDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NCC3(N4CCOCC4)CCOCC3)CC2)c1 1683210064 CPQKBEYWYKSLOH-UHFFFAOYSA-N 455.559 1.800 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1(S(C)(=O)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1689993227 YJPPOIAOLGNYAI-GOSISDBHSA-N 494.614 1.602 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1690113538 MKONNQGAYLOFCZ-IMSXRSKXSA-N 460.623 1.185 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC2(O)CCN(C(C)C)CC2)CC1 1690119910 XXLWEAADZXNZPU-UHFFFAOYSA-N 452.603 1.944 30 10 JDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690309564 DHTHOEWSDVVHPB-UHFFFAOYSA-N 453.591 1.986 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)N(C)C2CC2)CC1 1690410997 CKGPTJLINLOPDX-VQIMIIECSA-N 452.625 1.496 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1CCN1CCCS1(=O)=O 1690557981 ALDARUQFVVFOTA-UHFFFAOYSA-N 471.587 1.516 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1690666770 GBCWOTOMQJYASQ-INIZCTEOSA-N 454.531 1.669 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1690723946 FAEVXGDPYOAHMQ-IEBWSBKVSA-N 491.618 1.518 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1690725424 PIPBOANTWOEECC-SFTDATJTSA-N 474.631 1.412 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690729276 KPIVKQFKAMMWNV-QUCCMNQESA-N 484.582 1.292 30 10 JDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 1705534779 RDYQHOBIFASWLM-RTBURBONSA-N 476.578 1.341 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1705564754 CMVZLZNPQVKOGI-LJQANCHMSA-N 456.576 1.209 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1705583460 YSLWZLGQGZTAKW-FYQPLNBISA-N 455.559 1.879 30 10 JDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)CNC(=O)C2)c1ccccc1 1705741044 DUKRKSUWSWMGEQ-KRWDZBQOSA-N 458.588 1.708 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1705769285 OAKQQEPHDXHTDZ-SJORKVTESA-N 492.568 1.652 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCOC[C@H]2C1 1705827058 SAADZCJNWJYBIC-HXUWFJFHSA-N 490.630 1.309 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1705907255 FSGBRSMFNIFINM-HXUWFJFHSA-N 451.575 1.808 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3cccc(C#N)c3)C2)nnc1[C@]1(OCC)CCOC1 1705909374 VGABHWMWIXNXDM-RDPSFJRHSA-N 466.542 1.682 30 10 JDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCCn1ccnn1)C1CCN(S(C)(=O)=O)CC1 1711027847 CKXBTSBNCDKINA-UHFFFAOYSA-N 469.575 1.359 30 10 JDEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)NCc2ccccc2)CC1 1712882342 DSFLBUMZHAKTCV-LJQANCHMSA-N 456.572 1.627 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1722359967 BRUGXOKIUKFVAG-IBGZPJMESA-N 468.583 1.947 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCNS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1722361202 FQQXVLIWOWGSFP-HNNXBMFYSA-N 486.019 1.165 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1722365961 GLZSOQLPBYHYTJ-UONOGXRCSA-N 452.487 1.185 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCN1CCOC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1722366555 RYIRWUSFEMBZCG-FQEVSTJZSA-N 472.615 1.001 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1722370545 OPSKOUWHMJJMKD-RBUKOAKNSA-N 474.583 1.919 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1722371602 XEUPSMLVXGQHTN-ULQDDVLXSA-N 456.634 1.770 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1722372571 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1722703087 VQVFOEAFPGSILS-INIZCTEOSA-N 473.603 1.265 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1722719941 CNYYJVWDSGLFMR-ROUUACIJSA-N 451.618 1.993 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1722725094 FFEPMNCCWRJZJM-IBGZPJMESA-N 461.636 1.101 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCOC1 1722727916 PTGLTNGLLKLSMC-HNNXBMFYSA-N 458.544 1.018 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCCN(C(C)=O)CC1 1722730386 QIFHFCUXMSDYHU-UHFFFAOYSA-N 470.599 1.941 30 10 JDEE C[C@@H]1CCCN(C(C)(C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)C1 1726552592 HFOTTZRKOGHDQS-UYAOXDASSA-N 493.678 1.861 30 10 JDEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCSCC2)C1 1729647089 CCGUOQTZKBLZKP-QHCPKHFHSA-N 469.615 1.740 30 10 JDEE COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1730558637 DDZLHKWVBMFPCS-LJQANCHMSA-N 489.598 1.531 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-n2ccnc2)c(F)c1 1730762399 FWENEBUIAVECFY-GOSISDBHSA-N 452.494 1.969 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCOC[C@@H]2C)c1 1740561510 GGOISZKBSWRERB-RXFWQSSRSA-N 496.612 1.707 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1740591053 MEDJSBBOYAIZBZ-UWJYYQICSA-N 453.609 1.666 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740619441 OPNWOJAYKQRTEK-APWZRJJASA-N 493.552 1.051 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1740620267 CYGMAPMLSTYEQS-GOSISDBHSA-N 469.567 1.976 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1740622888 KGTMJWFRVPPDOM-ZWKOTPCHSA-N 477.612 1.243 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1740627137 OLVAIRQNIQYCET-MSYCTHLASA-N 476.599 1.916 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1740629789 ZZLSOCWMZKLYRF-BZSNNMDCSA-N 456.634 1.770 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCNC(=O)C(C)C)CC1 1740695611 YOJQBQPSWDOZRP-UHFFFAOYSA-N 490.612 1.592 30 10 JDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[C@@H]2N2CCCS2(=O)=O)CC1 1740696443 UTJMEHZMXJBQRQ-UXHICEINSA-N 462.664 1.826 30 10 JDEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CCOC)C(=O)C1 1740711917 XHRWCOQBPNGJPX-UHFFFAOYSA-N 467.393 1.697 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1740747279 CUJGONWECUZVDQ-UHFFFAOYSA-N 468.400 1.939 30 10 JDEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740787883 LVJQKUBNMMPCLV-INIZCTEOSA-N 464.548 1.916 30 10 JDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1740799682 SBCYKCHESGMKOF-GOSISDBHSA-N 466.564 1.362 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1740960291 OYJRCKBKKLESPZ-GHTZIAJQSA-N 470.574 1.640 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(COC)c2)C1 1740982973 ZDEMYBUHRQFHBB-NHCUHLMSSA-N 491.614 1.587 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS(=O)(=O)CC1 1740988631 KYBYNQALMPDVCR-UHFFFAOYSA-N 474.992 1.443 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCCNS(C)(=O)=O)c1 1748692739 MZRQUXVOPYHHOS-IBGZPJMESA-N 474.587 1.515 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1748819336 NEWRJGNXCCIEOA-GOSISDBHSA-N 476.628 1.319 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1748825239 WTBLOLOOLHSULY-IBGZPJMESA-N 484.582 1.583 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCN2CCN(c3ccncc3)CC2)CC1 1749015127 SLYBPNQTMIHYAV-UHFFFAOYSA-N 464.618 1.414 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(O)c1 1749158246 DXGPOROMVKFXGP-IBGZPJMESA-N 465.576 1.776 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)OC(C)(C)C1 1749230582 ZPULFHSRUVDTKY-IAGOWNOFSA-N 457.597 1.207 30 10 JDEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1749317075 NZKILWDRLJUPNE-HYFFOGBASA-N 481.619 1.755 30 10 JDEE C=CCN(CC=C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1749560623 SUXNAWZCMIEENF-QZTJIDSGSA-N 450.609 1.799 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1749664104 GKCCIHIIVKEAQO-UHFFFAOYSA-N 497.575 1.327 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1749670947 YAXJRHZTLLRPOC-KRWDZBQOSA-N 454.597 1.072 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCOCC3(CCC3)C2)nnc1[C@]1(OCC)CCOC1 1749739887 MFFLFHDOWDZKML-NRFANRHFSA-N 454.593 1.538 30 10 JDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749761270 ZOHJAKFHDCJJSP-QFIPXVFZSA-N 472.619 1.873 30 10 JDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccn(C)n2)CCN1S(C)(=O)=O 1750349912 CAFBMTWHBUHIAR-INIZCTEOSA-N 454.560 1.263 30 10 JDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C)C(C)(C)C1 1752269816 ANHVHZJXOJXELL-SFHVURJKSA-N 450.591 1.510 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760180572 HQNCVOLZMHQLGV-DENIHFKCSA-N 465.620 1.041 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1760184353 WBOCLTXPUCKUMN-LJQANCHMSA-N 467.551 1.881 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(O)CCS(=O)(=O)CC1 1760247141 PPWMTDABSQMYNW-UHFFFAOYSA-N 482.990 1.633 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(Cc2ccccc2)c1 1760248928 FXHKGDPDHFWCLN-OAQYLSRUSA-N 468.583 1.559 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCCO2)CC1 1760255953 QTSFGRFSMQIUKV-IBGZPJMESA-N 458.588 1.130 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760284011 DOMAERXQPOLNHZ-UHFFFAOYSA-N 465.649 1.414 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC(N2CCNC2=O)CC1 1760315672 HQIXOGWIDOHXLL-NSHGMRRFSA-N 462.595 1.977 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCCCC2)CC1 1760402335 KITNLFQXANPQHV-GOSISDBHSA-N 453.609 1.709 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1760510300 PVBCXMHKZFYBJV-RBUKOAKNSA-N 491.637 1.809 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1760553964 NGUGCCYIRHWRGN-UZLBHIALSA-N 450.565 1.054 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1Cc1cnn(C)c1 1761500519 ALEVFVBNXJVXJQ-DNVCBOLYSA-N 470.559 1.120 30 10 JDEE CN(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1)C1CCCC1 1767360853 GMCBQRZFTHZPRJ-SIKLNZKXSA-N 479.651 1.615 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1768264251 AQSCPKUIDJYCKS-SFHVURJKSA-N 473.559 1.129 30 10 JDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)C2)cc1 1858300594 KSPAIMWSIIILSD-QGZVFWFLSA-N 462.553 1.002 30 10 JDEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O 1861514278 CYOBHMKLCLGFSG-NRFANRHFSA-N 465.506 1.668 30 10 JDEE CN(C)c1cccc(-n2nnc(C#N)c2NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1870155364 JJSXDWCMMGGUGS-UHFFFAOYSA-N 474.437 1.738 30 10 JDEE CN1C(=O)c2ccc(NC(=O)c3nonc3OCC(=O)Nc3sc4c(c3C#N)CCC4)cc2C1=O 1872692743 SRTNGZVACXTWKE-UHFFFAOYSA-N 492.473 1.987 30 10 JDEE O=C(COCCOCCOCCNC(=O)O[C@H]1CCC=CCCC1)ON1C(=O)CCC1=O 2049382245 NUARCXICZJOVQZ-KRWDZBQOSA-N 456.492 1.259 30 10 JDEE C[C@@H](CO)CC[C@H](O)[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@@]12C 2080128058 JQNVCUBPURTQPQ-QFUCHDAYSA-N 480.642 1.712 30 10 JDEE CC(C)(C)OC(=O)NC[C@H](CO)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247881030 PVYQEFVRKYDPCW-GFCCVEGCSA-N 462.399 1.211 30 10 JDEE CC(C)(C)OC(=O)NC1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCOCC1 2256628543 JPFDCOHWSVFCAM-UHFFFAOYSA-N 454.358 1.272 30 10 JDEE CCn1cc(C(=O)NCC2(F)CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267179891 WNXHFEREOJGEJB-UHFFFAOYSA-N 452.336 1.891 30 10 JDEE CCC[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267348980 NMYKKFZXAKKKPR-CYBMUJFWSA-N 473.405 1.086 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@]2(CNC(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)C[C@H]1CO2 2267541010 XLJZDICUUGGAHT-ZSEKCTLFSA-N 465.381 1.951 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268647980 UPPWSXWXMUWCGY-UKRRQHHQSA-N 451.304 1.998 30 10 JDEE CC1(C)OB(c2nscc2C(=O)N[C@]2(C(=O)O)CCN(Cc3ccccc3)C2)OC1(C)C 2269072855 CQLMYDMTLYTBOS-JOCHJYFZSA-N 457.361 1.901 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CC[C@H]1NC(=O)OC(C)(C)C 2271975151 LLDLQLACJPGOMD-ZIAGYGMSSA-N 470.401 1.301 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)CC1 2281981926 KCASJNPTHFLCLN-HOCLYGCPSA-N 464.372 1.447 30 10 JDEE Cc1nn(C)c(C(=O)N[C@@H]2COC[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281985643 MYLMJNLNUHYTID-LSDHHAIUSA-N 464.372 1.297 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)n1 2282512437 SPKFKTYCWKBYAP-OAHLLOKOSA-N 482.412 1.397 30 10 JDEE Cn1cc(C(=O)N2C[C@H](C(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282541921 AUSBXZYWYUIXTP-STQMWFEESA-N 470.326 1.950 30 10 JDEE C[C@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282625670 YMBDNBAJKGUVOB-JSGCOSHPSA-N 456.274 1.695 30 10 JDEE C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282831419 JZDGVNDKRJDTJF-CQSZACIVSA-N 484.428 1.643 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](O)C1 2284046615 DAQVEWBKQAYGIY-IVZQSRNASA-N 463.340 1.052 30 10 JDEE COC(=O)c1ccc([C@H]2C(=C(O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)cc1 2296154676 UPIWUONHDMTUHS-IBGZPJMESA-N 470.434 1.812 30 10 JDEE COc1cc(OC)c(OC)cc1C=Nn1c(SCCO)nnc1[C@@H]1CC(=O)N(C(C)C)C1 2329056293 ZXRWZOIZHPPCFP-OAHLLOKOSA-N 463.560 1.995 30 10 JDEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2339878549 MENSMBLERGOISA-AWEZNQCLSA-N 452.361 1.297 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2360641113 PXRCGZQSXLWHAT-CQSZACIVSA-N 487.359 1.396 30 10 JDEE Cc1cccc2c(=O)n(CCC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cnc12 27094311 XNMQXFTWQODQRB-UHFFFAOYSA-N 465.535 1.500 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1C[C@@H]1CCCO1 514648486 CTICTZQQFUPMEK-HNNXBMFYSA-N 461.490 1.495 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC)c(OC)c2)c(=O)n1-c1ccccc1C#N 604001338 LVXPSVHGUJVTPF-UHFFFAOYSA-N 486.553 1.983 30 10 JDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1Cc1ccccc1 609350414 QPCJFNXJIFULDS-HNNXBMFYSA-N 469.513 1.890 30 10 JDEE C#Cc1cccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3cnn(-c4ccccc4)n3)c2=O)c1 726579795 FULKTXXYZXAKNH-UHFFFAOYSA-N 492.564 1.586 30 10 JDEE C[C@@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1ccc2c(c1)OCCO2 853671167 HNAWEIDOLCCRKG-OAHLLOKOSA-N 487.534 1.177 30 10 JDEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCCC(=O)NCc1ccc2c(c1)OCO2 1084535392 LCPPEZJQBOEKNT-UHFFFAOYSA-N 455.500 1.671 30 10 JDEE C#C[C@@]1(O[C@@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)C=C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@H]4[C@@H]3CC[C@]21CC 1085212474 HRFIGUNIDWUIBL-UAIYXVQFSA-N 486.561 1.575 30 10 JDEE N#Cc1ccc(S(=O)(=O)CCN2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)nc1 1167251181 BXHWOTOZFFHFCH-NRFANRHFSA-N 454.600 1.656 30 10 JDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)N1CCN(c2ccsc2C#N)CC1)C1CCCC1 1230510297 HGMCSCVOQBPVQR-INIZCTEOSA-N 454.622 1.406 30 10 JDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286339872 RMUMDLMNRJUQLU-UHFFFAOYSA-N 453.503 1.440 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1286379803 CHJHYVQNZHCSTP-HNNXBMFYSA-N 462.601 1.208 30 10 JDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CCS(=O)(=O)CC1 1286381424 MNDPDPVRFGHSCH-IYBDPMFKSA-N 467.592 1.058 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1286386261 XPLORYFDUQQWDX-HOTGVXAUSA-N 473.534 1.361 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286394222 HUQGLYHITJFZCR-URXFXBBRSA-N 482.610 1.674 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(c2cccnn2)CC1 1286784030 UQCXSJMBTSOLBB-UHFFFAOYSA-N 478.557 1.771 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286784432 HHCTZXKUEOCTAN-FQEVSTJZSA-N 459.348 1.869 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1286788948 KQYRXNZEQROQOE-LJQANCHMSA-N 483.592 1.443 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1286789797 WWLKXGBTRLFCEQ-UHFFFAOYSA-N 483.592 1.445 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1286823059 KQRCXKQRYTWMCS-FPXQBCRKSA-N 459.638 1.580 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1286823432 NFMFXQRIRBKLTB-DLBZAZTESA-N 480.660 1.789 30 10 JDEE CCN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1295072357 FKZAGACACMHXDX-RBUKOAKNSA-N 472.571 1.108 30 10 JDEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)CC1 1297638693 FDCNCICOXACESY-UHFFFAOYSA-N 468.587 1.982 30 10 JDEE CN(C[C@H]1CCCCO1)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1298543470 AEBHJLSLMOQYFH-LJQANCHMSA-N 462.576 1.625 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1300484071 RAUONGWJODYUND-ROUUACIJSA-N 478.596 1.154 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCOCC(F)(F)C(F)F)[C@@H]1CCS(=O)(=O)C1 1300487123 GQDYFXZKHYTSEM-CQSZACIVSA-N 477.484 1.827 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1300496471 RRLUTUHFLQCMFB-PMACEKPBSA-N 474.608 1.520 30 10 JDEE C#CCN(c1nnc(CC)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)[C@@H]1CCS(=O)(=O)C1 1300497751 DAAWEKNYQUWUEG-INDMIFKZSA-N 477.631 1.970 30 10 JDEE C#CCN(c1nnc(CC)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1)[C@@H]1CCS(=O)(=O)C1 1300499470 SHDHYYVZHJVEGD-SIKLNZKXSA-N 471.627 1.736 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 1300500782 DFOQTXHIPOLZDF-KRWDZBQOSA-N 463.510 1.354 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCS(=O)(=O)C1 1300586473 DSKWMFDFGCLFAS-IBGZPJMESA-N 450.568 1.804 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1300731491 GIAHDNZRHDXLNC-MSOLQXFVSA-N 462.620 1.248 30 10 JDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2cnn(C)c2)CC1 1300830863 MMLUTVHVDWRTDI-HNNXBMFYSA-N 454.373 1.971 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccco1 1300848346 FALLMZMWAPSOSZ-AWEZNQCLSA-N 460.354 1.749 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cc2)CC1 1300972241 KIISAXGXPZFJKB-QGZVFWFLSA-N 466.583 1.947 30 10 JDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1300996423 HDFAFSVAIYEZJI-HXUWFJFHSA-N 473.647 1.969 30 10 JDEE C=CCN(Cc1cccs1)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)NC 1301363065 NOTJIAOOOZDCQU-UHFFFAOYSA-N 464.573 1.809 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1301593556 PJEGVZAEFHNSHP-VQTJNVASSA-N 484.582 1.577 30 10 JDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CC1 1301695795 DUJLSBJHFDHCRF-JOCHJYFZSA-N 451.575 1.722 30 10 JDEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1312467909 CWCQSASFLFAFJF-BZUAXINKSA-N 453.540 1.681 30 10 JDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1316359183 BIHGBGYKUHNETG-LJQANCHMSA-N 471.587 1.109 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1358913542 QOMVQWHIIWRRSK-LJQANCHMSA-N 453.572 1.577 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1358957606 WWYMKOKJRIBXTE-WMZHIEFXSA-N 479.647 1.431 30 10 JDEE C#CCN(c1nnc(CC)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1)[C@H]1CCS(=O)(=O)C1 1358963896 PQLXOZYBWGRSRL-VQTJNVASSA-N 471.583 1.633 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1358965238 QNWKGOHVGLDRHO-INIZCTEOSA-N 462.626 1.960 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCC(O)CC1 1358987515 JVBPZCYDMKVHMO-UHFFFAOYSA-N 498.653 1.505 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CC(=O)N(CCOC)C1 1358994781 WHZWKBYWRZDXAW-UGKGYDQZSA-N 463.538 1.748 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1359023497 MHTBDWHKSFXEJR-XWSJACJDSA-N 488.589 1.340 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359223110 AULRVOULUWHTTP-JOCHJYFZSA-N 459.572 1.800 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1359287542 JXFFGJWZTVQOFW-LJQANCHMSA-N 479.578 1.510 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1359298907 PFAWQEUPOAUYLQ-IAGOWNOFSA-N 485.589 1.829 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](CN2CCOCC2)C1 1359302283 BGPRGMOEPOUGOH-LJQANCHMSA-N 454.575 1.338 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1359306968 WTPMPYKNQCDVBP-LNLFQRSKSA-N 462.595 1.435 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1359327551 DYXZHZONXNRZNI-QFIPXVFZSA-N 477.587 1.526 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1359332320 UYVJCPUMTPAFHZ-UXHICEINSA-N 494.662 1.253 30 10 JDEE CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NS(=O)(=O)c1cccc(Br)c1C#N)C2 1475277356 HMZKBBDZYIGRLX-KBPBESRZSA-N 455.378 1.683 30 10 JDEE CO[C@@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)C1 1504019984 CDVJGBQIUNJGRA-DEOSSOPVSA-N 451.575 1.986 30 10 JDEE COC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1504676912 HPVLCPVPGUQVBS-SFHVURJKSA-N 459.572 1.619 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1507626164 NFKUBXNYGDIXGT-FUHWJXTLSA-N 477.562 1.710 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1507631910 HCRQPQFRYGZWEX-RTWAWAEBSA-N 484.626 1.750 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1507633733 VESMYGDKQGGNBE-RTBURBONSA-N 474.583 1.886 30 10 JDEE C#CCN(CC#C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1507657624 UOORYNODSROIBQ-HSZRJFAPSA-N 491.013 1.874 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCc1ccco1 1507662466 JNSSYCSJDVWMGY-UHFFFAOYSA-N 494.577 1.568 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1507720158 SGQSFYGDIUFPEV-QPPBQGQZSA-N 460.623 1.042 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(NC(N)=O)cc2)CC1 1507737608 CPQCTFKRIBUHIL-UHFFFAOYSA-N 461.530 1.183 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1507737728 DVSWPVDKJBBOES-CTNGQTDRSA-N 452.559 1.666 30 10 JDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1507843077 RFHLFODAKKNWGI-UHFFFAOYSA-N 451.531 1.939 30 10 JDEE C=CCn1c(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1508066286 NZPTZDSTRHBYTR-DEOSSOPVSA-N 474.606 1.445 30 10 JDEE CC[C@@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C#N)C1)OC 1513493013 DSDRWBMWSOUZNG-FCHUYYIVSA-N 453.591 1.797 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2ncc(-c3ccc4c(c3)OCO4)[nH]2)C(C)C)C1=O 1531121018 GNXCHRVUFCDYHD-UHFFFAOYSA-N 453.455 1.519 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1539206146 MNTPTTWCZGHXFU-LAUBAEHRSA-N 479.628 1.645 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1539224478 HLPPUFCCICVGID-KRWDZBQOSA-N 468.576 1.069 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)N2CCc3ccccc3C2)CC1 1539430014 GOABAFDFSUNKIQ-VQTJNVASSA-N 485.658 1.090 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(C)(C)COCC)CC1 1539473814 CBAXVOOPIQBPDG-UHFFFAOYSA-N 491.600 1.949 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCS(=O)(=O)C2)CC1 1539482218 JZZKVCGZIBICOR-MRXNPFEDSA-N 491.564 1.548 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCS(=O)CC1 1539620910 OFEKQGCCRKNIBF-UYAOXDASSA-N 493.655 1.745 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1540865096 VLHHKXNOMHVCST-NRFANRHFSA-N 497.644 1.869 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1540869640 SIHRPEWTKGKRCH-UHFFFAOYSA-N 460.542 1.376 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1540870422 MVSYLCJPLDGIPY-OAHLLOKOSA-N 458.485 1.369 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1540876211 KODJPPOVMXTGHK-QRWLVFNGSA-N 488.511 1.126 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)[C@@H](C)C2)cc1 1540877110 KWJUQEITFDTMNC-HOTGVXAUSA-N 462.576 1.168 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1540900316 RHRJBJRFGPCYCS-CQSZACIVSA-N 459.981 1.218 30 10 JDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1540910569 KJPLOCXGEPURDG-NRFANRHFSA-N 478.644 1.816 30 10 JDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N1CCOCC1 1548299420 FXCAOUDZUITKJY-QZTJIDSGSA-N 460.604 1.797 30 10 JDEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)CCn1cccn1 1548372696 WDCZLUKWLXIZJU-LJQANCHMSA-N 478.475 1.644 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCOCC1 1587639033 JDJXIYWHCQPOGH-NQIIRXRSSA-N 457.600 1.519 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(OC)c(OC)c(OC)c1 1587641133 XUTLJARENLOLPQ-KXBFYZLASA-N 493.586 1.143 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1588035656 WNYCKYLNYFKEQV-IRFCIJBXSA-N 474.583 1.632 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCOc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1588035879 YVZZTWXNPLULNX-YKSBVNFPSA-N 488.610 1.944 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1588053084 AWVPKFJNHAZBMZ-LPNVONKKSA-N 454.618 1.448 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1588069876 ULMMBCYHCGDXRE-SFHVURJKSA-N 469.571 1.277 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1nccnc1C 1588628879 PMMFEFZMJWSPSG-UHFFFAOYSA-N 458.526 1.619 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1588769812 YQAFHVHPQIFYCX-UHFFFAOYSA-N 472.571 1.966 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 1588811198 CKKPCGYGCYPZBM-FGZHOGPDSA-N 470.643 1.547 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC[C@H]2COCCO2)CC1 1588899865 YTLGWWGPWVASMZ-NRFANRHFSA-N 453.543 1.725 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCn2ccnc2C)CC1 1588924201 XBODHAVXMBJNQD-IBGZPJMESA-N 452.563 1.180 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1589287989 HETHFHUFDVCSFF-UHFFFAOYSA-N 476.383 1.565 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1593636476 MGWKBPCBHJAUSL-GOSISDBHSA-N 494.643 1.647 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1594013807 LBIUFCCOYFLOGX-RDJZCZTQSA-N 464.567 1.528 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(S(C)(=O)=O)CC1 1595517294 WFLDXGVSQMHPIU-UHFFFAOYSA-N 454.556 1.809 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](CCOC)C1 1595551797 VLXJCELVTDBYFC-QZTJIDSGSA-N 478.594 1.752 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1595788647 FJEWEFTUZHZXAC-INIZCTEOSA-N 469.571 1.872 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(C)(OC)C1 1595804489 AFUWHVZDALLCGB-INIZCTEOSA-N 485.607 1.412 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1595805504 PXHFEQSXAZBJOC-NRFANRHFSA-N 454.600 1.955 30 10 JDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1595866135 AAGWIJNWRQUSNN-SFHVURJKSA-N 480.660 1.834 30 10 JDEE CCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NS(=O)(=O)CC)CC2)cn1 1615704029 FFSQCHYNGBJTRD-UHFFFAOYSA-N 468.587 1.990 30 10 JDEE CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1616026756 FKMATXSPXRVTMJ-LJQANCHMSA-N 481.557 1.970 30 10 JDEE C=CCNC(=O)N[C@@H]1CCN(C(=O)CC(C)(C)C)[C@@H]1C(=O)N[C@H](Cc1cccs1)C(N)=O 1616126644 POPVSLSPIGSDNG-NUJGCVRESA-N 463.604 1.152 30 10 JDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1628658332 CPGZKJTZEXNMDM-WBVHZDCISA-N 450.561 1.988 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)s1 1628793291 GDJNAVRWKBVMNA-ZDUSSCGKSA-N 457.599 1.622 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3c(OC)ccc(Br)c3[nH]2)CC1 1643372698 XOSHDCCWOBBZKB-UHFFFAOYSA-N 455.334 1.164 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2c[nH]cc(I)c2=O)cc1 1644854509 OQGPLOYOHRFHIZ-UHFFFAOYSA-N 457.249 1.143 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1672277849 MHSYZCVFBUXRKK-QFBILLFUSA-N 452.533 1.900 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1689994129 RMLDXQBWFIIUIX-FQEVSTJZSA-N 481.578 1.978 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(Cl)c1 1690019462 JLJNRMXVIKNQRU-GOSISDBHSA-N 465.938 1.525 30 10 JDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1690034381 GBVHISXRUWWXKU-IMSXRSKXSA-N 489.642 1.597 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1690132560 SRMGERDRDGZVEM-IFMALSPDSA-N 450.543 1.535 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1690170757 PMJVYRHNYKYVJW-MRXNPFEDSA-N 456.576 1.111 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690243524 LSOJDTJWLQWGEX-QFBILLFUSA-N 461.592 1.577 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690664433 SJMJXQITSGYXPD-UHFFFAOYSA-N 489.983 1.784 30 10 JDEE CS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)CC1 1698297602 AYVNAAILWRWEFG-UHFFFAOYSA-N 456.572 1.889 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCN1CCCO 1705491176 ZHMVUUWOHWWJRS-MOPGFXCFSA-N 463.586 1.980 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C)ccc1OC 1705494991 JBBNMVUGFIVIGV-YLJYHZDGSA-N 461.588 1.629 30 10 JDEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1705527023 QADBEEUVGIQWFR-UHFFFAOYSA-N 490.391 1.518 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1705634860 KUTPOOIHNBZKQQ-HSZRJFAPSA-N 479.647 1.431 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCN(C)CC(F)(F)F)CC1 1705644326 MUUTZUJIWVZQBZ-UHFFFAOYSA-N 471.528 1.266 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCC)CC1 1705646592 JEGQVLNHFJPCSC-UHFFFAOYSA-N 472.615 1.961 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2cccc(OCC(N)=O)c2)CC1 1705648056 PZCVCSIDNOQCMZ-UHFFFAOYSA-N 450.543 1.424 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC(=O)NC(C)(C)C)CC1 1705650896 BSTZGWPSDYCHKO-UHFFFAOYSA-N 499.641 1.540 30 10 JDEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705681148 ODJMAUTXNSTVCU-AWEZNQCLSA-N 453.385 1.971 30 10 JDEE C=C(Br)Cn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705692411 JECRFTJKOKJSQH-HXUWFJFHSA-N 494.394 1.814 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2C)C1 1705898034 ZCUFMUKIPDCLJR-FUHWJXTLSA-N 462.576 1.077 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1705903500 XBPDHYRKYJYKOH-QZTJIDSGSA-N 487.605 1.410 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(c3ccnn3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705908887 XMWPCIXPOCWPTM-HSZRJFAPSA-N 457.579 1.738 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCNS(=O)(=O)c2ccccc2)C1 1705921921 BVEXXOUDHPEXLE-GOSISDBHSA-N 457.560 1.438 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)NC)CC1 1705933227 YKGRIWIGHGRVDY-UHFFFAOYSA-N 497.419 1.770 30 10 JDEE CC(C)NC(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H](C)C#N 1706068100 DYUUZOZTOMYDHK-MRXNPFEDSA-N 461.592 1.706 30 10 JDEE CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)c1=O 1710189925 CUGPBTXZLMNTBD-INIZCTEOSA-N 454.556 1.916 30 10 JDEE CCN1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](COC)C2)CC1 1710269647 ABCDHOUBHMBWTA-REWPJTCUSA-N 483.617 1.606 30 10 JDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1710874555 GUAXBDFKTWBXKD-IBGZPJMESA-N 458.588 1.410 30 10 JDEE CS(=O)(=O)CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1712696592 GMVDGDBNZUIMNN-UHFFFAOYSA-N 489.577 1.286 30 10 JDEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1722366785 KNMWIGMUNAOAPQ-FQEVSTJZSA-N 487.630 1.505 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722367431 WBRPKAAHUNYYOP-RTBURBONSA-N 462.645 1.601 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1722368077 YWUAYNVAMYVTMH-INIZCTEOSA-N 456.490 1.916 30 10 JDEE C#CCN(c1nnc(CSc2ccccc2OC)n1CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1722369722 FHEWBTLJXJAWBS-MRXNPFEDSA-N 498.652 1.250 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(Cl)c2)CC1 1722437813 QOCZHNMCURXERD-LJQANCHMSA-N 479.006 1.068 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1722453304 RAUCUXKAWCREEX-UHFFFAOYSA-N 491.643 1.542 30 10 JDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722483612 ICIDZTKOBDOEFV-LBPRGKRZSA-N 472.365 1.928 30 10 JDEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccccc1 1722540361 CUFGUGZTQGJCAT-PKOBYXMFSA-N 479.628 1.364 30 10 JDEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722586215 WZVPPWJWQVDAQU-UHFFFAOYSA-N 470.969 1.931 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1722617149 HCUTZGXJKUDWMT-KRWDZBQOSA-N 497.691 1.581 30 10 JDEE C=CCCCn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722621946 CWUBQNSDVRRGDK-QHCPKHFHSA-N 462.595 1.458 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C1CCC1 1722628975 DWCJDXCTJJIDDX-OALUTQOASA-N 453.609 1.973 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1S(C)(=O)=O 1722657064 POWHMVPXCWNNQB-UXHICEINSA-N 483.598 1.717 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1722698051 BNDLTDJFPVFZAK-GOSISDBHSA-N 468.558 1.445 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722706459 SQCGVPRWIWULKY-INIZCTEOSA-N 458.519 1.445 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1722726957 DDKYLGGYQXDIQX-UHFFFAOYSA-N 453.609 1.153 30 10 JDEE CC(C)COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1723478869 GFYBKEOIQMZGCA-XMMPIXPASA-N 467.574 1.798 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCN(C(C)=O)C1 1740546993 MLWWUMXTTJOEQJ-WMZOPIPTSA-N 457.604 1.955 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(C(F)(F)F)c1 1740550532 IXABFZIAXUAHRR-HIFRSBDPSA-N 472.493 1.531 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@@H]2CC(=O)N(CCOC)C2)c1 1740562302 IHRUVZMOWKYRNM-HXUWFJFHSA-N 487.564 1.891 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC=CCO2)c1 1740564237 FZGSCPHHBAKFRW-QUCCMNQESA-N 469.567 1.582 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1740617468 RLRJTOJGDKKQQH-AEFFLSMTSA-N 469.633 1.406 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740623916 COIYIKCJJIDNTF-FQEVSTJZSA-N 455.584 1.660 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1740686271 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C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)c1ccco1 1748960240 FEOQQLGNXXIQKC-UHFFFAOYSA-N 475.509 1.301 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCS(=O)(=O)CC=C)CC1 1748989103 FCUNMXSVJLSACF-HXUWFJFHSA-N 457.556 1.147 30 10 JDEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(=O)N(C)[C@H](C)C1 1749222393 HDNXDZXCKVSBJQ-MRXNPFEDSA-N 461.592 1.498 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1760144485 QUYGPHRSSZPJRJ-KRWDZBQOSA-N 461.530 1.736 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1760182559 KTKOCPCOXBKMAR-IERDGZPVSA-N 460.560 1.103 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1760183669 QGDJFEXLRLAADF-INIZCTEOSA-N 464.979 1.535 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCNC(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1760186638 PQCLAODITWPGGY-MRXNPFEDSA-N 463.629 1.985 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1760188014 YWESKAOAEVUODM-RBUKOAKNSA-N 492.623 1.254 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CCC[C@@H]1NC(=O)NC1=O 1760243937 UXAHXJBUYTVSQX-FQEVSTJZSA-N 478.532 1.907 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1760261243 JFEYKASCRAGDDP-LJQANCHMSA-N 485.614 1.077 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(=O)N2CCOCC2)CC1 1760264305 IJYASUHGIZJNJD-UHFFFAOYSA-N 452.559 1.088 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(C)COCCO2)CC1 1760266565 DIJNLXAKBJYKRB-HSZRJFAPSA-N 468.514 1.625 30 10 JDEE C=C(Cl)Cn1c(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)nnc1[C@]1(OC(C)C)CCOC1 1760387774 OSHGYYAEIZXTPF-YWZLYKJASA-N 464.958 1.603 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1760530904 WTMIVMJAUQJGGU-LJQANCHMSA-N 454.531 1.891 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)CC1 1760534001 YGRQHPAYELZLCZ-IBGZPJMESA-N 459.572 1.462 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1760548736 NZQQSIMFMJLXML-UHFFFAOYSA-N 494.662 1.682 30 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1.458 30 10 JDEE COC(=O)C1(NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2267198356 WXGVKDGYAOEJEN-UHFFFAOYSA-N 450.297 1.471 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](F)C[C@@H]1CNC(=O)OC(C)(C)C 2267272428 ZKSJMIYFMZUONE-CHWSQXEVSA-N 453.324 1.192 30 10 JDEE Cc1nc(S(=O)(=O)NOCCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2267468181 TUYFMPRACVZBGL-UHFFFAOYSA-N 474.389 1.152 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2282004383 JCFGZBYNODCDTN-OAHLLOKOSA-N 464.372 1.393 30 10 JDEE CC1(C)OB(c2sccc2C(=O)N2C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)OC1(C)C 2282012778 AMYMTCGUTDXAII-GHMZBOCLSA-N 475.298 1.042 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@](CO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282191570 OTBCSYCTRYLHIW-QHCPKHFHSA-N 461.368 1.873 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F 2282343779 RIOYZOVLORUODM-LLVKDONJSA-N 498.333 1.453 30 10 JDEE 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C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1358913595 RVPRUKXEUWOUSB-FDFHNCONSA-N 476.691 1.979 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1358959520 KRHJWZAPEFHYIX-QPHCHLROSA-N 471.608 1.745 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1358964952 KRNHDEWDKHVLES-FQEVSTJZSA-N 481.578 1.978 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1358966050 HCNFBAYRZUPAMO-IBGZPJMESA-N 454.556 1.758 30 10 JDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1358970586 SFKRJAOFNZSVTG-DHIUTWEWSA-N 459.616 1.211 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1358988520 SPUAJDQPACFWGL-FQEVSTJZSA-N 477.384 1.720 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)NCCC)c1 1359010129 HFMIOGLMYUHIBQ-FQEVSTJZSA-N 488.614 1.259 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1359031579 HSOKVBNQCLIXQE-OAQYLSRUSA-N 480.617 1.882 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(C)ccc21 1359058291 YOZSHSQQKUKADR-LJQANCHMSA-N 461.613 1.980 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1359117224 NQJMRSKLPMAAIV-INIZCTEOSA-N 486.602 1.435 30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1359160917 JLFVJVOQMODWEA-QFIPXVFZSA-N 458.588 1.830 30 10 JDEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1359198786 AJWWTWYRRATLAP-UHFFFAOYSA-N 475.557 1.640 30 10 JDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1359226289 BMDJZYZSFOCCKC-LJQANCHMSA-N 454.531 1.490 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)(C)C)C1 1359227872 OGABCHBVIXSFSM-ROUUACIJSA-N 471.624 1.455 30 10 JDEE C=CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@@]1(O)CCS(=O)(=O)C1 1359282572 IAHRULDOKDCPHS-QFIPXVFZSA-N 459.572 1.470 30 10 JDEE C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1359283620 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C#CCN(c1nnc(C(C)(C)C)n1CCCN1CCC[C@@H]1C(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1507623666 VHQBWIQHZXWCBT-RBUKOAKNSA-N 478.663 1.145 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507629939 RCTFTMKHOMBVSB-MZKRTTBSSA-N 496.637 1.943 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1CCC(OC)CC1 1507644978 SLXWNPWNABRISV-UHFFFAOYSA-N 473.585 1.883 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1C1OCCO1 1507660148 NGBGEXMLEMHQEF-QGZVFWFLSA-N 457.556 1.445 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1507660443 UCJZBKKSJXWNRY-YADHBBJMSA-N 497.669 1.562 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(C(N)=O)CCOCC1 1507710587 RAPURGLNLSGAGB-UHFFFAOYSA-N 463.542 1.499 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCCn2cc(Br)cn2)CC1 1507741509 VQDYOHWWOCLLND-UHFFFAOYSA-N 478.395 1.830 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507824747 ICUVGNOLWWXSHS-SJLPKXTDSA-N 463.560 1.132 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1507831801 FMJGONXJLMLZCU-ZWKOTPCHSA-N 476.607 1.082 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1507844051 BFSKVECJWTYWQI-DYESRHJHSA-N 454.593 1.547 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](OCCOC)C1 1508087600 CTEZZFFXXJWYID-RTBURBONSA-N 492.621 1.937 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCN(CC)C(=O)C1 1508087700 DHABOGVECQLXID-SFHVURJKSA-N 489.621 1.753 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1508146401 WZKBQNGDFNOQAC-DLBZAZTESA-N 469.608 1.828 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN([C@@H](C)C(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1508148943 LQRFLDKXGZUUCM-QFBILLFUSA-N 495.568 1.604 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)C1 1516023419 GRBVSTVLHVKXRD-HKUYNNGSSA-N 460.560 1.283 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539200324 GWASHJWGMOARQX-SJORKVTESA-N 496.634 1.298 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(C(=O)NCC)c1)[C@H]1CCS(=O)(=O)C1 1539210953 IINFQWWFTTZAAC-FQEVSTJZSA-N 478.578 1.765 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1539319845 IJELUPFAAIUYBP-GYHWCHFESA-N 474.521 1.952 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@](=O)CC 1539325161 CUBGYNFIRGIYFJ-HYHKQLJDSA-N 463.604 1.818 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1CCS(=O)(=O)N(C)C 1539333595 HELGVZVBNRDMBC-UHFFFAOYSA-N 494.415 1.974 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC[C@@H]2COCCO2)CC1 1539462312 SLIOBBVRYKZJTH-HXUWFJFHSA-N 455.559 1.817 30 10 JDEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1539506477 UUNSDRSDQKZMCE-UHFFFAOYSA-N 472.596 1.952 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1539802158 RLIOMKULQDKGHC-OAHLLOKOSA-N 456.956 1.565 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@H]1C(=C)C 1540169277 BKRSDAHKFNIIKQ-QYZOEREBSA-N 451.593 1.771 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(n1)CCCC2 1540201454 VDDIOZNOQWKYDL-NRFANRHFSA-N 490.630 1.572 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1540872586 UEODSJJDODQKIQ-UHFFFAOYSA-N 483.592 1.445 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1540875657 TWSBJLPGYAWMKE-MOPGFXCFSA-N 470.574 1.325 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1540903196 AMDAPGRJFMFVJK-UHFFFAOYSA-N 475.619 1.288 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(=O)Nc2ccc3c(c2)OCCO3)s1 1557826970 CDNWISRLRDWWCS-UHFFFAOYSA-N 451.526 1.281 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1587683591 LEOPKUNIZXPJJJ-JLCRNFDHSA-N 459.570 1.806 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1588069005 FBTGNVGNEYQBMN-PZJWPPBQSA-N 469.567 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1705539753 ASEHYUXYFXRSLN-GIWBLDEGSA-N 472.634 1.939 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccnc1)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705559197 UDUBGLUXEHEJLS-NHCUHLMSSA-N 484.626 1.976 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCSCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705566724 PSHFNILJXOUVKK-CHWSQXEVSA-N 465.523 1.151 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1705568408 NBXVPBJVYSAWAP-VAMGGRTRSA-N 460.604 1.318 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1CC1CCS(=O)(=O)CC1)[C@@H]1CCS(=O)(=O)C1 1705570971 VWHUDTHALPTRTD-LJQANCHMSA-N 468.645 1.462 30 10 JDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCC(F)(F)F 1705612686 MHNKHBNAOBSEGQ-UHFFFAOYSA-N 450.469 1.590 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOCC 1705620455 UIAFBJOLOFSDHN-IBGZPJMESA-N 465.551 1.426 30 10 JDEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705888716 PAGURHGUPYSIAE-UHFFFAOYSA-N 468.558 1.854 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705899536 WMTUAAJTLPWZAH-SFHVURJKSA-N 455.494 1.153 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1705902624 IQHQUQCTDSVZJW-GOSISDBHSA-N 456.522 1.753 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1705904048 CTQNBQDKGSAQCN-UHFFFAOYSA-N 455.563 1.711 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1705907492 OPIVQKJKSKMJOE-OYRHEFFESA-N 483.665 1.437 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1705908497 CRJBAGCYHLAAIR-DBXWQHBBSA-N 493.616 1.876 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(C)=O)CC2)cc1 1705912004 WOEWIFAUHAFJQM-LJQANCHMSA-N 459.572 1.462 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOC(C)(C)C)C1 1705924334 CDWYFAFDDIOXEP-IAGOWNOFSA-N 457.597 1.207 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)CC(F)(F)F 1706076444 CXSMSNBFDWEXLV-LSDHHAIUSA-N 481.545 1.091 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1722296604 SMLYRIOSLOSIQB-DZFGPLHGSA-N 457.600 1.253 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1722367472 LVUIFHPUSMHQFD-GOSISDBHSA-N 498.609 1.634 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1722367822 XMVFKWHYFQRGEC-MJGOQNOKSA-N 491.639 1.247 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nc2ccccc2[nH]1 1722414099 VOYIFIMDROXCQD-LJQANCHMSA-N 471.587 1.580 30 10 JDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1722421824 NFNCOXCLYGIFEZ-ROUUACIJSA-N 498.650 1.621 30 10 JDEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722452637 IHARBLGRYNWUCY-KRWDZBQOSA-N 482.031 1.851 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(C)=O)C1 1722493263 XNQXKZLYOBFIRJ-KANFNMMFSA-N 468.624 1.222 30 10 JDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1722621340 YTHPRNGINIDZDR-MOPGFXCFSA-N 455.563 1.675 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(F)(F)F)CC1 1722727778 LDLNKWFRDFVQPZ-ZDUSSCGKSA-N 470.539 1.560 30 10 JDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1728201384 DJWZNGNFWCRCEP-QGZVFWFLSA-N 464.574 1.132 30 10 JDEE COC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)OC 1730470829 HFFCNGMQHHKYMD-NQIIRXRSSA-N 489.598 1.761 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740539692 QTRMYAXVVRSZRY-HOTGVXAUSA-N 465.601 1.088 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCO[C@H]1CCOC1 1740639437 BNGVIZQFJPGAHR-PMACEKPBSA-N 473.574 1.855 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(F)(F)CNC(=O)OC(C)(C)C 1740645266 CLNKQODEQNWXHO-HNNXBMFYSA-N 488.561 1.511 30 10 JDEE C#CCN(CCOC)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(O)CCN(C)C1 1740687890 IIALLRNBWSNWFT-NRFANRHFSA-N 478.391 1.772 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nccc(C(F)F)n2)CC1 1740701087 UEZICBFGEWFVRM-UHFFFAOYSA-N 495.494 1.667 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(C)COCCO2)CC1 1740703340 OSMQCRFPGBQKEV-DEOSSOPVSA-N 453.543 1.725 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(C2CC2)C1 1740774753 ZSBLELDLTZRZSS-HKUYNNGSSA-N 452.625 1.498 30 10 JDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740886467 IHDKZOKEFLVPPJ-OFNKIYASSA-N 467.618 1.845 30 10 JDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1740948573 OOGGVDCGXAHUNH-FGTMMUONSA-N 491.618 1.452 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740961354 UKNCUYWTHMVPBX-UHFFFAOYSA-N 481.022 1.590 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1740963232 DWECYTODSBZWAJ-UHFFFAOYSA-N 458.544 1.044 30 10 JDEE CN(C)C(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1747526667 DKYZMFLIZLROCH-UHFFFAOYSA-N 473.603 1.403 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCCc2cnn(C)n2)c1 1748694181 AAZIZQQBQYEBMS-UHFFFAOYSA-N 475.557 1.218 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1748805413 RKCVUEQJUUTLCO-PGRDOPGGSA-N 498.671 1.469 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1748805525 TVMKORGMRCGJLO-GEQKSPFYSA-N 491.589 1.251 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1748823770 BIMXMTRCQHOOHL-IPMKNSEASA-N 460.604 1.605 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Br)cs1 1748826345 RXXMGQHMLOVVFG-GFCCVEGCSA-N 456.391 1.833 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1CCN1CCCS1(=O)=O 1748903442 ZSFZQOGVMJPVNU-UHFFFAOYSA-N 455.584 1.972 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(C)(=O)=O 1748968758 KHIKIZREZSEIGO-INIZCTEOSA-N 455.581 1.481 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCNC(=O)c2cccc(C)c2)CC1 1748978341 KGZPMZXLWPFFHI-AREMUKBSSA-N 480.613 1.812 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2csc([C@@H](C)OC)n2)CC1 1749009322 OUGXOXAOKDUUCG-OAHLLOKOSA-N 468.587 1.857 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCS(=O)(=O)CC)CC1 1749015729 LKRWUPQNBYONIS-UHFFFAOYSA-N 457.600 1.464 30 10 JDEE C=C(Cl)Cn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749285026 SQLKESHKXKGOIW-JOCHJYFZSA-N 467.014 1.816 30 10 JDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1749605920 COKPRSCZZWLGLC-INIZCTEOSA-N 462.576 1.435 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1749651034 MGQFDOOXLSLIIP-SFHVURJKSA-N 487.992 1.516 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1749655473 LVVLTXDSYMUCRK-HJPURHCSSA-N 457.531 1.649 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 1749721873 WBSLNLNNJWROJB-GBESFXJTSA-N 464.636 1.328 30 10 JDEE CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CC1 1750208270 AVEGVUNNBHRZRE-UHFFFAOYSA-N 474.587 1.220 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](N2CCCC2)C1 1760138016 PJWIFVSMYAFNTO-WOJBJXKFSA-N 464.636 1.479 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1760190165 SPHCWWHLXUJIML-QGZVFWFLSA-N 455.540 1.965 30 10 JDEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760190695 UJGHFGPFIGGMKX-LJQANCHMSA-N 482.610 1.749 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(S(C)(=O)=O)cc1 1760205705 HYTHCEPQWQOPBA-UHFFFAOYSA-N 489.605 1.977 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)N1CCCCC1 1760219980 UUKIRFAPWVOWGW-SFTDATJTSA-N 476.647 1.338 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1760261733 BCPNXOIUYAVSLS-UHFFFAOYSA-N 456.978 1.560 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCCN2CCC)CC1 1760271331 UVEFVIADTVUQOT-OAQYLSRUSA-N 469.634 1.631 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCCCO)C1CC1 1760306575 ISAICAFYCMUSRC-HNNXBMFYSA-N 478.413 1.261 30 10 JDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1760494431 NGPRUFXNANYFMX-UHFFFAOYSA-N 459.514 1.524 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760528887 PQBISYPPFXVGTR-IYBDPMFKSA-N 489.577 1.430 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC(=O)N2CCOCC2)C1 1760540020 ZMHRSPMWRAFTFD-LJQANCHMSA-N 471.558 1.993 30 10 JDEE Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(c3ccc(C#N)cc3F)CC2)cn1 1761780367 DJYOJTUUAQSIEP-KRWDZBQOSA-N 498.588 1.977 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1767846941 CETBPDGGCKNCKR-UHFFFAOYSA-N 489.602 1.671 30 10 JDEE N#Cc1cccc(C(=O)N2CC[C@H](NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C2)c1 1858298182 HMWCDBPIUCHZMW-FQEVSTJZSA-N 452.536 1.987 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 1858422289 QJXCKMSQYYDECL-FQEVSTJZSA-N 482.562 1.642 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)N2CCN(C)CC2)nc1C 1858816428 USNXSGBJRUKNBG-UHFFFAOYSA-N 474.543 1.986 30 10 JDEE CN1CCC(N(C)C(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cccc(C#N)c3)cc2)CC1 1858987550 CKOBCOGUVFQDFO-UHFFFAOYSA-N 483.594 1.955 30 10 JDEE COc1ccc(-n2nnc(C#N)c2NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1OC 1870155404 LDAXXTPYGARGRL-UHFFFAOYSA-N 491.420 1.689 30 10 JDEE CCCCCCCCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 1872947630 CEHGADULWFYQBU-PMACEKPBSA-N 469.648 1.737 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255535179 QZGGNKVREIBKQR-QWHCGFSZSA-N 453.370 1.542 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2255843925 NXEGGHJCNLMABU-TZMCWYRMSA-N 453.370 1.400 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CO1 2267141653 YDUBIEXHDWHOHM-ZIAGYGMSSA-N 450.345 1.369 30 10 JDEE Cn1cc(C(=O)N[C@H]2COCCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267178773 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C=CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(OCC)cc3)c2)CC1 33233778 XWLVJXBKMIGWSL-UHFFFAOYSA-N 486.594 1.946 30 10 JDEE CC(=O)OCC(=O)[C@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](O)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C 138024619 JDZIWTDCPALRKC-SQLCEKHDSA-N 492.540 1.960 30 10 JDEE N#Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)ccc1F 485252354 BEPSDVQWSPFLCW-UHFFFAOYSA-N 467.500 1.164 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)CC1 492290187 IHCZVHGUUSFULG-SFHVURJKSA-N 463.376 1.500 30 10 JDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1Cc1ccccc1 521316301 IDRCPFMWPUFRPO-UHFFFAOYSA-N 470.554 1.772 30 10 JDEE C#CCN(C(=O)c1ccc(CNC(=O)Cc2ccc(OC)cc2)cc1)[C@H]1CCS(=O)(=O)C1 729335487 PPQVEOMQERYGEO-NRFANRHFSA-N 454.548 1.817 30 10 JDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)[C@H]1CCS(=O)(=O)C1 918754998 QUWQSWBVVCZIML-IBGZPJMESA-N 452.598 1.353 30 10 JDEE CC(=NNc1nc(SCC(=O)Nc2nnc(SCC(N)=O)s2)n[nH]1)c1ccccn1 1084136404 UKTMLDBEJQDTKD-UHFFFAOYSA-N 464.562 1.196 30 10 JDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1156969318 CAXGDJPHWCRXMK-SFHVURJKSA-N 458.625 1.804 30 10 JDEE CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1177113620 CLLOVPCSYRTDFB-XLIONFOSSA-N 456.591 1.828 30 10 JDEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)cn2)C[C@@H](C)O1 1201454590 FOLKAQVXXKVZJV-LLGFUMIMSA-N 452.515 1.996 30 10 JDEE C#CCN(C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1229230759 YADMDTAXWXBQGU-VQIMIIECSA-N 458.563 1.958 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286386596 DNHMXFUVYSOOBJ-FQEVSTJZSA-N 470.599 1.758 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1286395857 OOPYBKSGUYXSGL-LJQANCHMSA-N 494.639 1.535 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OC)c1 1286432054 WIUFFQWGQZIMJX-FQEVSTJZSA-N 457.556 1.131 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)cc2F)CC1 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CC(=O)N1CCN(CCn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C#N)[C@H](c3ccccc3)C2)CC1 1286889792 LRYRYHDIXPHXLI-YADHBBJMSA-N 478.601 1.324 30 10 JDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C[C@H]1C 1296164718 BDUVTOJXQWKZEL-LJQANCHMSA-N 467.574 1.508 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1300478779 BEMHXZZBNKQLFX-QZTJIDSGSA-N 489.573 1.747 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1300479891 UIUPTORNBWGREO-SJORKVTESA-N 463.629 1.983 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1300497762 DDHRTEASRCBPDJ-JKSUJKDBSA-N 468.526 1.435 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(NC(C)=O)nc1)[C@H]1CCS(=O)(=O)C1 1300498904 NVNJZYLACZJBFW-FQEVSTJZSA-N 479.566 1.292 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCN1CCCO 1300513519 XFTKBFVKNZFQFU-GOSISDBHSA-N 459.392 1.966 30 10 JDEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCOCCS(C)(=O)=O 1300626806 WYULBDQJPYLASJ-UHFFFAOYSA-N 483.635 1.913 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCc2nc(C)no2)CC1 1300689221 TWIFLHRQKGUHLO-UHFFFAOYSA-N 469.571 1.428 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C2CC(C(C)(C)C)C2)CC1 1300711426 BONJAMGHERPQFT-ZLPCBKJTSA-N 464.636 1.851 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1300729217 QVFNBHGJKHVWOF-VWLOTQADSA-N 482.585 1.484 30 10 JDEE COC1CCN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCNS(C)(=O)=O)CC1 1300782156 IFCXJPJZEFNIEF-UHFFFAOYSA-N 489.646 1.692 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCNc2ccccn2)CC1 1301123784 DXMQWWFIRPTEKE-IBGZPJMESA-N 475.619 1.911 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1301222746 FBENRVTVGFZULY-MSOLQXFVSA-N 462.576 1.630 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1301257443 AANSRNMXXVITKQ-OALUTQOASA-N 467.636 1.462 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1301517811 CFYUDCYSNGKJET-KOSHJBKYSA-N 476.622 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SVWRHOWQFXLNPJ-UHFFFAOYSA-N 464.574 1.302 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1722738764 PBDNSVNWCKETKG-SFHVURJKSA-N 483.660 1.175 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)N(C)Cc1ccccc1 1740553916 VNICAQKNAJNNTK-ONTIZHBOSA-N 488.658 1.980 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1740575096 QBLVECACTLGIPT-CTNGQTDRSA-N 478.663 1.725 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC[C@@]2(CCOC2)O1 1740610772 LBWUCNMMAATHKB-STSQHVNTSA-N 461.563 1.994 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](CC(C)C)NC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1740626121 JQGFGRLNJIBUFM-CEXWTWQISA-N 481.619 1.570 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1740683770 FBFHWGUWZQGFNL-UXHICEINSA-N 466.542 1.481 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccncc2)CC1 1740700599 DHVXTAGRDCPDIB-UHFFFAOYSA-N 458.526 1.529 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[C@@H]2CCCCO2)CC1 1740705474 HLKJRFLNGUGBIA-PMACEKPBSA-N 477.631 1.495 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1740716568 UHBMAXOVXLBZHZ-NSHGMRRFSA-N 460.648 1.921 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740720022 OVAKEPXYEKCECC-UHFFFAOYSA-N 479.614 1.327 30 10 JDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1740867183 AHPIADUUJNQXFF-KRWDZBQOSA-N 461.592 1.999 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740954575 PHEVFZVXIWBHDK-KRWDZBQOSA-N 491.390 1.660 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1740985618 JZTBTDHFWLOLLF-IAGOWNOFSA-N 463.608 1.790 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)CC1COC(C)(C)OC1 1740986013 PMJKDBZTLLWOGH-UHFFFAOYSA-N 478.575 1.362 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1740991570 ZKLZXVJBXZMVOA-UHFFFAOYSA-N 461.592 1.662 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1SCCc2ccccc21 1748791355 SSTOXPVJTGQCCZ-RTBURBONSA-N 461.613 1.711 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 1748811409 GNMYLSYIDJSAOA-LJQANCHMSA-N 452.540 1.557 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2nncn2-c2ccccc2)CC1 1748977895 LQYCNQIPKOBGQU-LJQANCHMSA-N 450.547 1.386 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2nnc(C(C)(C)C)s2)CC1 1748978365 KSQUUFOSVPZZSL-JOCHJYFZSA-N 459.620 1.883 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(OCC(N)=O)CC1 1749142387 ZITKDRGDUBYIRG-SEONNTABSA-N 463.579 1.454 30 10 JDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1749608100 KRFUPICOUQEYTB-KRWDZBQOSA-N 488.662 1.769 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749657712 BLKKBJJEFLWFHY-UHFFFAOYSA-N 472.571 1.854 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749661086 XTJNCIRXYKTGIN-KRWDZBQOSA-N 469.546 1.305 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1749677564 DBYIFFNHTRWYMK-UHFFFAOYSA-N 475.619 1.380 30 10 JDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1749724563 KDROLFWWQCQWAK-UHFFFAOYSA-N 455.943 1.942 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1749731553 HFFJCXNDCNODDX-RTWAWAEBSA-N 480.679 1.725 30 10 JDEE CC(C)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1F 1750525974 GTVUFMAPAIWWOS-APWZRJJASA-N 492.577 1.457 30 10 JDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760170681 MKVYBVAHJKIIKI-QGZVFWFLSA-N 475.475 1.525 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1760183118 MNXLOMQQHYLQBC-DYESRHJHSA-N 461.975 1.704 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CCCCC1 1760220349 ZPGXEYIGWPGGRN-REWPJTCUSA-N 477.631 1.405 30 10 JDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCN2CCOC(C)(C)C2)CC1 1760261829 XATBMWSSRXUPOT-UHFFFAOYSA-N 452.603 1.766 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](COC)OC 1760288922 CQOLPHMCFZOUPP-PGRDOPGGSA-N 461.588 1.849 30 10 JDEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(=O)N(C)C[C@@H]1C 1760355789 WIOPOSWUXQUBEY-INIZCTEOSA-N 461.592 1.498 30 10 JDEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccccc1 1760360415 AYZVONZGUKQXHF-SFHVURJKSA-N 458.588 1.698 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(c3ncccn3)CC2)cc1 1760530998 ZJKJYCBUZYECMQ-SFHVURJKSA-N 498.613 1.618 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCNC(C)=O)C1 1760545076 NDTUIOABFUOXEU-SFHVURJKSA-N 465.558 1.982 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1760548397 FRPOVMLEVAHADY-IRXDYDNUSA-N 460.560 1.389 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1760558092 GEGFOABIRDABOA-QFIPXVFZSA-N 475.571 1.325 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1761361407 HNYBWXPDZXOOHB-DLBZAZTESA-N 456.576 1.536 30 10 JDEE CN(C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1766918868 HNRNRHOIUMQHOL-UHFFFAOYSA-N 452.607 1.615 30 10 JDEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)C[C@H]1C 1767113680 BNFYLSFSAZKVIM-QUCCMNQESA-N 451.575 1.842 30 10 JDEE COC1CCN(C2(Cn3c([C@H](C)NS(C)(=O)=O)nnc3N(C)C[C@@H](C)C#N)CCCC2)CC1 1769074240 HUNDHXFHWSGNMX-ROUUACIJSA-N 481.667 1.908 30 10 JDEE Cn1nccc1[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1769079578 HIYHHPCKUCHYIU-SFHVURJKSA-N 454.560 1.483 30 10 JDEE COCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)CCOCC1 1769326892 FBCRTFXDXKUQJG-UHFFFAOYSA-N 488.614 1.732 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCN(C(=O)[C@H]4CCCO4)CC3)n2CC(=O)NCC(F)(F)F)cc1 1770732656 GSPNZUOBQGIVAC-QGZVFWFLSA-N 491.474 1.323 30 10 JDEE N#C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CC2(O)CCOCC2)CCO1 1770750972 BHUOMKOYMNLDDQ-QGZVFWFLSA-N 478.347 1.890 30 10 JDEE COc1ccc(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1OC 1858337326 ZJKAKKFCFDYBAL-OAHLLOKOSA-N 451.526 1.317 30 10 JDEE COc1ccc(-n2nnc(C#N)c2NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 1870140128 AUPYDGDLFIFMHY-UHFFFAOYSA-N 466.454 1.542 30 10 JDEE C[C@H](O)Cn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CSCCO 1870224056 YPGNUVNWDXMXSP-ZDUSSCGKSA-N 463.581 1.894 30 10 JDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[C@H](C1)[C@@H](CO)[C@H]2NC(=O)OC(C)(C)C 2223123911 RUFQISFKPWSYOC-WKULXVSPSA-N 451.564 1.883 30 10 JDEE CC1(C)OB(c2cncnc2C(=O)N[C@@H]2CCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2247855926 AFBLTSSZZBCZDN-QGZVFWFLSA-N 452.320 1.917 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255843513 HYOSVMUBGHYFPP-ZDUSSCGKSA-N 453.370 1.808 30 10 JDEE C[C@@H](CNC(=O)OC(C)(C)C)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2255950825 VAVQDRKIDLEMIY-ZDUSSCGKSA-N 458.390 1.253 30 10 JDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C1 2266990010 MEVZDAWDDKHJDE-LSDHHAIUSA-N 450.341 1.987 30 10 JDEE CCn1cc(C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)nc1B1OC(C)(C)C(C)(C)O1 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JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCc1nccn1Cc1ccccc1 2282852012 KGHOJXDIDBMZEP-UHFFFAOYSA-N 471.392 1.485 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282864925 NDDYGCKDWUNQFY-CVEARBPZSA-N 483.396 1.029 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)n1 2359277834 YDJZJBXNVIJTGA-VNQPRFMTSA-N 462.356 1.083 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 9991191 YWJLMASYDPHRTG-UHFFFAOYSA-N 485.609 1.163 30 10 JDEE C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCN1c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 215692617 YXTZMDYDOOJYJA-DOTOQJQBSA-N 475.399 1.774 30 10 JDEE C=CCn1c(COc2ccccc2F)nnc1SCC(=O)N(C)CC(=O)N1CCOCC1 503736543 RUVPIHDZNWQYKC-UHFFFAOYSA-N 463.535 1.592 30 10 JDEE C#CC1(O)CCN(C(=O)c2ccc(NC(=O)C[C@H]3SC(N4CCCC4)=NC3=O)cc2)CC1 1148406135 LLDJUPVDFAESAK-GOSISDBHSA-N 454.552 1.709 30 10 JDEE CC#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 1164661360 WUJNXAVMHCRJRP-UONOGXRCSA-N 459.362 1.411 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)NC2(C(=O)Nc3ccc(OC)c(OC)c3)CCCC2)C1=O 1265627281 WYJTWZRBQNDFNV-UHFFFAOYSA-N 458.471 1.048 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1286379862 CTEZZTOYYJEBPW-MRXNPFEDSA-N 481.525 1.693 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1286387616 GYPPWEGJSLPMEP-GOSISDBHSA-N 460.556 1.770 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCCN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1286393218 KVVXODCPDBKEGW-FGZHOGPDSA-N 492.690 1.564 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1286395348 ZYDYWVLVYOIFNB-LEWJYISDSA-N 458.584 1.496 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1286398554 KSTBGRATCXRAAO-VNTMZGSJSA-N 480.631 1.629 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286398948 UMBNVUREMBABRH-LRSLUSHPSA-N 493.674 1.749 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOC[C@@H]1C 1286467594 RFDOCKMFBRZVQH-FQEVSTJZSA-N 468.606 1.259 30 10 JDEE C#CCSCCn1c(N2CC[C@@H](N3CCN(CC)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286513472 VUNSXBXOFJOSQP-QPPBQGQZSA-N 476.691 1.901 30 10 JDEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(C(N)=O)C1)c1ccccc1 1286617053 HNGVOMRUJOEXSD-AVRDEDQJSA-N 474.587 1.026 30 10 JDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286674488 FBUPJUJZWPDZBK-CTNGQTDRSA-N 471.650 1.992 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc(-c2cnccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286759436 CMRXODWXHNCCLY-QFIPXVFZSA-N 454.556 1.520 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC(=O)N(C)[C@H](C)C1 1286780755 ZVAGYPVIHFWLOW-GFCCVEGCSA-N 465.327 1.816 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2[C@@H]1C 1286790408 DXRWXGMQAIUMOI-LPHOPBHVSA-N 474.587 1.037 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc3[nH]cc(I)c3c2)CC1 1297519780 AYPPPEASNWUVTB-UHFFFAOYSA-N 450.280 1.280 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-n1ccnc1 1300308546 CMQJPHUPGMBVNV-FXAWDEMLSA-N 469.571 1.303 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(OC)OC)c1 1300466013 SNDMQWYKHXRCPH-SFHVURJKSA-N 463.560 1.020 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300483723 NENSAABRKJKMIR-AZUAARDMSA-N 473.599 1.301 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC(C)C 1300547106 FJGOUJSAWQXCFK-SFHVURJKSA-N 478.619 1.751 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCCC2(C)C)CC1 1300727440 XUYXCTGSGNOOPP-WZONZLPQSA-N 477.631 1.087 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1300729111 NFMAHTODAGYACC-HXUWFJFHSA-N 466.561 1.680 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1301150843 CANLCRFFIJCKGO-JYJNAYRXSA-N 469.564 1.327 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1301475237 NKTBUQFEXYHROZ-UHFFFAOYSA-N 471.537 1.291 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1301500125 JNORDDABJIIVCF-IGCXYCKISA-N 462.403 1.503 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1301579162 OUQUWUVYFBAABB-OAHLLOKOSA-N 463.564 1.439 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@H](C(=O)OC)C1 1301586955 PXIZEXOIGFKYPQ-SFHVURJKSA-N 457.556 1.881 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCN(C[C@H]4CCCO4)CC3)n2CC(=O)NCC(F)F)cc1 1302993859 GWFPDKYFLRRTOB-LJQANCHMSA-N 489.527 1.411 30 10 JDEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1315979885 HFCFPIHUJUCWHH-OFVILXPXSA-N 498.584 1.344 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1Cc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 1358957320 SPCGNUDESFNTSS-DFQSSKMNSA-N 474.583 1.633 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1358959459 JGQSFADNWBNUHY-HOTGVXAUSA-N 466.560 1.146 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CC(=O)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358959733 OXCNWSAUGQJFGK-HXUWFJFHSA-N 478.578 1.625 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1nccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1358960958 PGFQUHBHZITTRV-AWEZNQCLSA-N 492.487 1.413 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358963569 KHKUABANXJIVCX-XRXFAXGQSA-N 463.648 1.777 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1358965713 ZRTGCIPPQQRPQY-HOTGVXAUSA-N 466.510 1.189 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1359042814 VFBHXUBSUHSATI-IBGZPJMESA-N 469.611 1.908 30 10 JDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1359059055 ZIPWKCXPCGPRGS-UHFFFAOYSA-N 462.645 1.881 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)C(=O)C1 1359127259 MGXUGJIZBMUTTR-KRWDZBQOSA-N 468.624 1.462 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H](OC)C(F)(F)F)CC1 1359179390 UKWGNCWNPGMSBU-CVEARBPZSA-N 481.541 1.981 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CCC(=O)N1CCOCC1 1359257623 PYGLIBNDHOWLII-UHFFFAOYSA-N 477.569 1.714 30 10 JDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359283068 OLLZPNXPTWVAMX-UHFFFAOYSA-N 452.968 1.519 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1359296021 UQSWCSYWJJLRMX-OAHLLOKOSA-N 472.981 1.085 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1359332744 GGJIIHSCHNHKJA-DLBZAZTESA-N 450.565 1.533 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359333081 NWBUSJYRSMUUSC-AWEZNQCLSA-N 453.515 1.415 30 10 JDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 1440350951 FWICDUWMYDDNLT-KRWDZBQOSA-N 458.378 1.753 30 10 JDEE CN1CCN(c2ncccc2CNS(=O)(=O)c2cc(Br)ccc2C#N)CC1 1474894740 CGSMYMLZVYMRHZ-UHFFFAOYSA-N 450.362 1.946 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1503829767 DLRBVNJUYSUENM-UHFFFAOYSA-N 497.629 1.163 30 10 JDEE COCCN(C)CCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1504850384 DRQHOHYBVAMFMQ-GOSISDBHSA-N 464.578 1.618 30 10 JDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)COC)CC1 1507572495 LNSFVNZZPGYNFA-UHFFFAOYSA-N 458.950 1.570 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1507625106 GIBMIHHWMQGCQX-VGOFRKELSA-N 496.536 1.979 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H]1CCCN1S(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1507626441 AIKPTRIYBKYREL-RTBURBONSA-N 491.639 1.304 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C(CC)CC)N(C)C)[C@H]1CCS(=O)(=O)C1 1507631903 HAWQKDPVSPWJCK-GBESFXJTSA-N 464.636 1.222 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2CCN(CC)CC2)CC1 1507732519 HOFQLKGUKZQSKQ-DHIUTWEWSA-N 471.694 1.980 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1507740412 SQMZIQHSTNVKSO-HSZRJFAPSA-N 479.629 1.587 30 10 JDEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507786479 AIAJINVXHLGVGR-QGZVFWFLSA-N 474.363 1.939 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccc(OCC)n2)CC1 1507791201 JAIJHXQKHPZGFQ-QUCCMNQESA-N 484.605 1.913 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCS(C)(=O)=O)C1 1508121795 GWHOKSZODDZFOD-IBGZPJMESA-N 475.619 1.668 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1508134940 AKUPMVRVQWTWLI-SFHVURJKSA-N 474.587 1.595 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(CC)C(=O)C1 1508136522 TXVHAONSTRLEMQ-UHFFFAOYSA-N 477.587 1.622 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccccc1F 1508145592 NEZACCAQKJHGKP-QGZVFWFLSA-N 470.592 1.947 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1508417176 HQCAPJXPKJQPEW-JKSUJKDBSA-N 484.586 1.212 30 10 JDEE C[C@@H]1C[C@H](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CCO1 1512014533 BHWPJJVCRSHXQZ-RLLQIKCJSA-N 480.635 1.946 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(C(=O)OC)CC2)CCO1 1517534159 CLHYVPKIQRYRQW-IBGZPJMESA-N 467.530 1.246 30 10 JDEE COC1CCN(C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CC1 1518594684 BBZSOIJKTLAEMS-UHFFFAOYSA-N 481.601 1.944 30 10 JDEE N#CCCN(CC1CC1)c1nnc(C(=O)N2CCCC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1521148610 BDSHVCFMNJJQRD-KRWDZBQOSA-N 469.512 1.907 30 10 JDEE COCCN1C(=O)c2ccc(C(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)cc2S1(=O)=O 1523932619 DVOMKMGCTHIREV-INIZCTEOSA-N 456.480 1.038 30 10 JDEE C=CCOCCCC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1524035480 WZMHMMAQFSUQFC-UHFFFAOYSA-N 457.936 1.487 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)CC=C)c1 1539040394 SIOBKTFJIGYSGO-UHFFFAOYSA-N 467.555 1.336 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCCN2CCOC2=O)c1 1539042868 KJRPEQFGHMUNST-SFHVURJKSA-N 452.515 1.681 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1539203531 RQMWUTNFAMYQSI-SFHVURJKSA-N 461.592 1.028 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccccc1CN1CC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1539229909 AAYKSNCWEQECCY-FGZHOGPDSA-N 487.626 1.056 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 1539232071 ZBVPMKMGNMKQQT-QUCCMNQESA-N 471.583 1.494 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(N3CCOCC3)nc2)CC1 1539430636 MAOKDPFTMTVION-HXUWFJFHSA-N 469.590 1.037 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C(N)=O)CCOCC1 1539659378 VHJZZQSPAALBQO-UHFFFAOYSA-N 451.535 1.605 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1540868569 JMOOURVXYSSPIE-UHFFFAOYSA-N 463.546 1.548 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCC)C1 1540917361 ULGQSWWWCDLFIJ-SJORKVTESA-N 459.638 1.536 30 10 JDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1554489174 FPZGRAWAILFGNZ-UHFFFAOYSA-N 474.525 1.222 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCN(c3nc(CC)ns3)CC2)s1 1586852376 BCGAXLKSUXFMNB-UHFFFAOYSA-N 455.631 1.908 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)N(C)C2CC2)c1 1587692438 DSDCHFGBJPRWJH-HKUYNNGSSA-N 484.626 1.719 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1587861174 HSUCONMMTHOXMV-HNNXBMFYSA-N 489.524 1.413 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1588035019 OKHLWYHPHJRZCY-QGZVFWFLSA-N 493.431 1.924 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1588068856 AVFMRSAKWGZFRV-OAHLLOKOSA-N 490.636 1.710 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1cnn(C)n1 1588218794 CKWKPXGNJYWLLI-UHFFFAOYSA-N 455.526 1.416 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1588732872 IINOYSCLWGVPQB-SFHVURJKSA-N 482.589 1.841 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(F)cc(OC)c2)CC1 1588924016 UKUGUCHYBWRWLS-LJQANCHMSA-N 454.506 1.391 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(Cl)c2)CC1 1588930391 VBWFJSMUVMFUNR-SFHVURJKSA-N 476.002 1.848 30 10 JDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)Cc1cccc(F)c1)C1CC1 1595054344 HJUHLDGLHGILMT-KRWDZBQOSA-N 461.563 1.833 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)Cc1ccccc1 1611307321 AZZGDRYCTZIZBM-IEBWSBKVSA-N 489.602 1.008 30 10 JDEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCCS1(=O)=O 1616485141 CPJDJKTZTGDJNW-MSOLQXFVSA-N 475.571 1.952 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CC(=O)NCC(F)F)cc1 1620350368 IDQUAUMTOSYGJS-UHFFFAOYSA-N 477.479 1.791 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)cc1 1621179282 HHDUBIZHXZDHOQ-UHFFFAOYSA-N 459.524 1.641 30 10 JDEE Cn1cc(C#N)c(NC(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n1 1623165122 DFQYRUPSOKLOIJ-UHFFFAOYSA-N 453.322 1.593 30 10 JDEE C#C[C@@H](CO)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)Nc3ccc(OCC)cc3)cc12 1625165129 FHUZIXPPOWTWOV-AWEZNQCLSA-N 455.492 1.864 30 10 JDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 1634781868 AYUNMMOQADYUNI-HZPDHXFCSA-N 450.001 1.744 30 10 JDEE COC(=O)[C@H]1CN(C)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)C1 1653917799 DLLORFMXDTYVEX-SFHVURJKSA-N 453.543 1.950 30 10 JDEE CC(=O)c1cccc(C#N)c1OCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 1656827817 CFWZSCBHYHGYAP-UHFFFAOYSA-N 457.508 1.477 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNS(=O)(=O)Cc1ccon1 1689841452 GRVCQEPTIYHONK-OAHLLOKOSA-N 472.527 1.282 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1689984862 XDQFOLPTZWURDL-RTWAWAEBSA-N 469.567 1.639 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cc(OC)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1689985998 GRMVWLLIIQPYHM-KRWDZBQOSA-N 485.566 1.974 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)NC(C)C 1690048073 BGEYDSZWRSXZOV-FQEVSTJZSA-N 457.556 1.581 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCN(CC)C2CC2)CC1 1690124848 VSSHTXPCMGBKGT-NRFANRHFSA-N 487.649 1.826 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1690133299 AYZVLWGIPMFMTN-UHFFFAOYSA-N 465.945 1.808 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)Cc1ccccc1C2=O 1690660246 BYURXLSBFXEGFS-MRXNPFEDSA-N 486.598 1.216 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCNC(=O)[C@H]1CC 1690661822 IJJZWPRYNOORIQ-OAHLLOKOSA-N 465.327 1.864 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCC(C)(C)C)CC1 1690671476 WUZTVCOXGHKRCB-KRWDZBQOSA-N 452.625 1.041 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)CC3CCCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1690678095 KTEOJFSHWBRKJZ-RUZDIDTESA-N 488.633 1.851 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1690722608 PGDKLSLDEIFDTN-UHFFFAOYSA-N 499.641 1.248 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H](C1CC1)N(C)C 1692533829 CWUDMWZLPDWIAC-QFBILLFUSA-N 466.594 1.133 30 10 JDEE Cc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2ccc(S(N)(=O)=O)cc2)n1 1693189358 GPKNNEQGMKCLFZ-OAQYLSRUSA-N 455.519 1.981 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1CCn1cc([C@@H]2CCOC2)cn1)[C@@H]1CCS(=O)(=O)C1 1705559626 DKDOLRYWICJFFF-QWFCFKBJSA-N 460.604 1.819 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705571885 KDCHUQMIMQDKNS-TUFLPTIASA-N 479.647 1.361 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2CC2CCS(=O)(=O)CC2)n1 1705631477 GYFALFOOIQNPOK-LJQANCHMSA-N 476.603 1.090 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1705644232 JMUJPPYVDWGKOA-FPOVZHCZSA-N 477.569 1.872 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1705646438 FLUIOHSYMRQERJ-UHFFFAOYSA-N 484.988 1.846 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C)CN2CCOCC2)CC1 1705649536 ANJAGQYVWXGBRI-QFIPXVFZSA-N 478.641 1.997 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCCO[C@@H](C)C2)CC1 1705651386 VGNVGEFJLIOACB-QFIPXVFZSA-N 496.660 1.606 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705658985 HWCCFICVSNYLDK-INIZCTEOSA-N 486.623 1.572 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1705659246 PRDHGMAEHAGAPP-GOSISDBHSA-N 452.584 1.619 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1705661488 COPHDVCGLADILY-UTKZUKDTSA-N 485.676 1.619 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccco1 1705661567 FDWQEEAPSUHNPI-FUHWJXTLSA-N 465.601 1.912 30 10 JDEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1705886702 JSYFFSDMLPNOII-UHFFFAOYSA-N 482.364 1.862 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1705903508 XCWAMLZLRPIYNI-SFHVURJKSA-N 454.531 1.142 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705907708 UTLBUKVEJKMYQY-UHFFFAOYSA-N 490.630 1.636 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1705938749 ILFFCCYDBAPTHT-HOTGVXAUSA-N 494.536 1.951 30 10 JDEE CC1(C)CN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CCO1 1706955705 GJJLCWLPNLYVKW-UHFFFAOYSA-N 453.547 1.166 30 10 JDEE Cc1nc2ccccc2n1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1707774131 HSNZWKNCUMKDTG-VBKZILBWSA-N 460.539 1.689 30 10 JDEE CN(C)C(=O)COc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)c1 1710990544 HWDNLIRDKINZMH-LJQANCHMSA-N 451.531 1.484 30 10 JDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1711302138 DZUVPPIQSUWFAE-AEFFLSMTSA-N 453.547 1.130 30 10 JDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722329085 AMJQFMSFIVWFRQ-MRXNPFEDSA-N 454.556 1.712 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1722370881 FPKJOODPEUNIRV-LJQANCHMSA-N 471.583 1.474 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccn(CC)c1=O 1722417517 KGOISPZXEHADMS-QGZVFWFLSA-N 486.573 1.897 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(NC(N)=O)cc2)CC1 1722430772 AAZGMUQNBCBPJG-UHFFFAOYSA-N 459.514 1.220 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)nc1OC 1722473590 FYFHXOKXPPYYHG-VGOFRKELSA-N 490.586 1.064 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1Br 1722698985 QAYAMUWHXVBGPU-OAHLLOKOSA-N 482.404 1.881 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1722726200 YHLATOOIGPAUCK-JOCHJYFZSA-N 483.635 1.572 30 10 JDEE CC[C@@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1727103606 FOXKPMHRLNTWQH-SJORKVTESA-N 453.547 1.700 30 10 JDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1730730801 BLFCPZXTKNYHQK-OAQYLSRUSA-N 451.575 1.986 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740537702 GNOYOUVKNBIUJR-SRYPRDQNSA-N 479.647 1.981 30 10 JDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1740570943 LEEYTGWPBKYKHD-JOCHJYFZSA-N 454.623 1.713 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(c2ccccc2OC)C1 1740645305 CROJIJDMTIQYSA-VQTJNVASSA-N 484.626 1.886 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN2CCCCC2=O)CC1 1740703429 SBDBWZNKRHJYNI-VWLOTQADSA-N 486.617 1.299 30 10 JDEE 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COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC2CC2)cc(OC)c1OC 1315304336 CFXWYZRIPOCPJJ-INIZCTEOSA-N 456.503 1.226 30 10 JDEE COCCN(C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1316067524 FTRWGUDNQLKVMC-UHFFFAOYSA-N 480.617 1.286 30 10 JDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@H]1OC 1316333745 GRVVJNSYBBWKKU-RLLQIKCJSA-N 490.586 1.003 30 10 JDEE N#C[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2CCC(=O)N2CCOCC2)CCO1 1316535206 FTXCPNDNCUDPTN-KRWDZBQOSA-N 475.347 1.685 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358955431 LVQMGXNFVRLKSA-QZTJIDSGSA-N 452.625 1.019 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1358957125 QBAPDPMQWJNPCI-RTBURBONSA-N 483.598 1.838 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC1CCN(CC(F)(F)F)CC1)[C@H]1CCS(=O)(=O)C1 1358960400 DIEJYCBEZDENLX-KRWDZBQOSA-N 497.547 1.636 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](CC)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1358962842 YCZRTXWQBGCLSH-AOIWGVFYSA-N 489.573 1.853 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1358967279 HGUMBNNCICGQMJ-KKIUXKEOSA-N 478.640 1.869 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccccc2C)n1CCS(=O)(=O)N1CCSCC1 1359021835 CJOHBFMHIMGDQL-UHFFFAOYSA-N 463.629 1.718 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(C(N)=O)c2)CC1 1359030556 YKHLURUIYNXMES-XMMPIXPASA-N 452.559 1.221 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCCCO)CC1 1359032061 ZPDKBWFXGQYBFP-UHFFFAOYSA-N 460.604 1.113 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1359034998 ILRGEOJWOVZNFS-QZTJIDSGSA-N 459.595 1.487 30 10 JDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359058037 QRKBEAUEWDAJTF-FQEVSTJZSA-N 470.599 1.367 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(S(=O)(=O)NC)c1 1359113340 GLCSKHYMUBVQRA-QGZVFWFLSA-N 467.617 1.539 30 10 JDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359225594 DRNCMMSQETVRPD-QGZVFWFLSA-N 486.598 1.798 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1359287443 DEVNHKUYUVYRTG-RTBURBONSA-N 469.608 1.352 30 10 JDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1359291150 GVGGJHLRYQHGMV-RDJZCZTQSA-N 468.605 1.464 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)c2ccco2)CC1 1359291187 HPMYYCYUBKJIDX-UHFFFAOYSA-N 457.535 1.054 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1359296957 ZVUYIXFFRZPQRH-QGZVFWFLSA-N 456.547 1.569 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1359335882 XSVVLVPQCZEBSE-JOCHJYFZSA-N 475.571 1.183 30 10 JDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] 1462893043 BDMJNSMLVCXTIO-VIFPVBQESA-N 457.299 1.860 30 10 JDEE N#Cc1ncn(CCNC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)n1 1478603287 AYSUFTVXNKAHHB-UHFFFAOYSA-N 458.331 1.173 30 10 JDEE CCN(CC)[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1501805511 AGSGZMPSTUMYGI-SFHVURJKSA-N 475.619 1.541 30 10 JDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1(N2CCCC2)CCOCC1 1503634866 GUCYMBHOXNWQRR-UHFFFAOYSA-N 472.615 1.943 30 10 JDEE COc1ccccc1SCc1nnc(N(C)C[C@@H](C)C#N)n1C[C@@]1(O)CCS(=O)(=O)C1 1504444194 AIODUEVCLPDKHR-YWZLYKJASA-N 465.601 1.724 30 10 JDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1507572794 XLFVJBLQFYOKGY-SFHVURJKSA-N 479.006 1.793 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(OC)CCOC2)CC1 1507739578 CIGUSYLFTIJTQD-XMMPIXPASA-N 471.533 1.768 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCOc2ncccc2F)CC1 1507740216 QEUHXHBAZQEBDN-UHFFFAOYSA-N 463.517 1.843 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCNS(=O)(=O)c1ccc(C)s1 1507814952 ADPOKYWVENMVGO-HNNXBMFYSA-N 452.606 1.980 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1508075966 REWHHCMVACOULT-AEFFLSMTSA-N 452.625 1.925 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1508135190 FNYYXFKGWDBANL-OAQYLSRUSA-N 486.598 1.965 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C)C1 1508141558 NICCQTYTEMXHPD-KRWDZBQOSA-N 461.592 1.278 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccnc(C)n2)CC1 1508143170 FDEXOIKDPYHPIN-UHFFFAOYSA-N 468.587 1.290 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCN(C)C)cc1 1508420759 ARGOYKXEASKIBY-IEBWSBKVSA-N 460.604 1.765 30 10 JDEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1508826506 FKUOMROZNWNQFP-QGZVFWFLSA-N 453.503 1.142 30 10 JDEE C#C[C@H](NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C)[C@@H]1CCCO1 1523394754 ARZAKUMWOPNEIW-RXVVDRJESA-N 458.584 1.978 30 10 JDEE C=CCOCCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1532368227 CXCXGZWFCONKPG-UHFFFAOYSA-N 452.314 1.864 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1539206404 ONYHISYUTJHDMZ-OAHLLOKOSA-N 478.376 1.444 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C(C)(C)C)no1 1539325679 LOCGHPROYHWVMB-SFHVURJKSA-N 474.587 1.408 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(OC)nc1 1539399457 MBVUWEMNRZQVFB-UHFFFAOYSA-N 455.540 1.887 30 10 JDEE C#CCN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCCNS(=O)(=O)CC)CC1 1539430569 LQFBXXVOADNCEH-UHFFFAOYSA-N 470.643 1.833 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1539446561 GDCBTMOCLMLCLW-HXUWFJFHSA-N 458.588 1.165 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1539453367 IRMPRBGKCVLYRI-OAQYLSRUSA-N 453.610 1.789 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1539517586 PQOSRRUTDMURBD-BRWVUGGUSA-N 483.660 1.896 30 10 JDEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539974700 FJVNQHGFBIKYQS-PMACEKPBSA-N 474.606 1.629 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1540864000 MGEFRQHVDMSPLE-AWEZNQCLSA-N 490.406 1.843 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(Cn2cncn2)CC1 1540864482 BKPCCPBKTRAYRQ-UHFFFAOYSA-N 466.546 1.773 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@H](C(N)=O)C1 1540864912 OQQQXTAWYBRCTA-ZDUSSCGKSA-N 477.363 1.720 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1540875674 UKDXQIXXOCCFTA-WOJBJXKFSA-N 457.531 1.552 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCC(=O)N2)C1 1540879724 MGVUWXZSWWXGAL-KSFYIVLOSA-N 474.587 1.360 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 1554149819 AEPFLPQRPFAMLP-LJQANCHMSA-N 474.587 1.424 30 10 JDEE C#CCN(C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1CCS(=O)(=O)C1 1564669658 VZOFBRWSABONRH-HOTGVXAUSA-N 454.346 1.386 30 10 JDEE O=C(CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)ON1C(=O)CCC1=O 1565519452 AAHKKOHTTPZFDB-SFHVURJKSA-N 453.451 1.248 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)Cc1ccccc1 1587638051 AXEJCVZZZKAALK-CTNGQTDRSA-N 474.631 1.591 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1588046081 WYDATULJRPOXDB-LJQANCHMSA-N 478.534 1.466 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588074546 OKFYAMBIGDKNFI-FXTUREPZSA-N 493.674 1.749 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1(=O)=O 1588550640 WRRMOOBLJLSXQM-QUCCMNQESA-N 494.614 1.926 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC(=O)N2CCOCC2)CC1 1588763336 UYZCWXIBLZWZEK-UHFFFAOYSA-N 476.379 1.040 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1588811849 NCZMLCOUVHHIRY-RTBURBONSA-N 494.662 1.485 30 10 JDEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1589406235 VQZNITLXOLXRLE-UONOGXRCSA-N 453.341 1.901 30 10 JDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1594615076 DJZRSSLYFSQSAU-HLAWJBBLSA-N 457.623 1.964 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1594733157 OBEYNIMIPQPOSH-ZWKOTPCHSA-N 450.609 1.729 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1595551397 QDUKAHIQIILGSF-CKVARHJQSA-N 479.628 1.417 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1595577511 VKKIMGYWVOGCPK-UHFFFAOYSA-N 478.557 1.593 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3CC)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1595755661 ZXWPTPMQVNCJPP-AUSIDOKSSA-N 476.599 1.750 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1595777141 JJMYFJWZGNIULY-UHFFFAOYSA-N 486.642 1.599 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1596249514 CHKLFVMDVQYDTJ-VHXPQNKSSA-N 493.568 1.669 30 10 JDEE COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(NCC(=O)NCc3nc(C)no3)C[C@@H]1C)C2=O 1615245260 NPBOBBJYWKGXDS-MGUXCZDKSA-N 490.900 1.761 30 10 JDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1617267786 GWOQTIVXZWSAEG-HNNXBMFYSA-N 465.601 1.653 30 10 JDEE CCc1nsc(N2CCN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)CC2)n1 1652613962 BHPVDABYUSYLPE-IBGZPJMESA-N 457.579 1.771 30 10 JDEE Cc1ccc(NC(=O)Cn2cc(Br)cc(C#N)c2=O)cc1S(=O)(=O)N(C)C 1656602800 DSYXQHBCJDUFAS-UHFFFAOYSA-N 453.318 1.680 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](CC(C)C)C(=O)N2CCOCC2)cc1 1667322135 OYKVFFKKZZBHGK-IBGZPJMESA-N 452.577 1.888 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1689996689 MDRFFNCEKPOFPL-IBGZPJMESA-N 473.599 1.525 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cc(F)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1689998650 SEBITZFBRYGTEV-SCWSEQNSSA-N 492.573 1.825 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](OC)[C@@H](C)CC)CC1 1690145894 AKPIVZDSQXRWOD-UHOSZYNNSA-N 465.620 1.207 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(O)CCO[C@H]2C)CC1 1690148250 ADDROIYEPKHBJM-XDHUDOTRSA-N 455.534 1.514 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)c1cccc(C)c1)C1CC1 1690545811 ZDPQXULEVQAVQB-FQEVSTJZSA-N 488.614 1.504 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1690665590 JAUAJJOQCOVRFH-OAHLLOKOSA-N 494.474 1.523 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1690670592 FMDWNUJGHRJJGB-ZWKOTPCHSA-N 461.592 1.137 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1690692321 WGYNDRBHAKWUEM-VGOFRKELSA-N 478.571 1.293 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC(O)(C(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690731270 GFTHKDKWIUIJEA-SFHVURJKSA-N 496.552 1.813 30 10 JDEE CS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1698318691 HHCNBEMDQGIFRQ-UHFFFAOYSA-N 450.528 1.450 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccc(OC)cc1 1705494777 FQSBXQUGHUILDY-YLJYHZDGSA-N 477.587 1.547 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1705559447 ASRQVRKHNQCSHC-RDJZCZTQSA-N 489.989 1.875 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC[C@@H](C(F)F)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705566651 PWNZNQZZVCTREL-WMZOPIPTSA-N 482.557 1.256 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1N1CCCCC1 1705583318 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C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1722357901 ASXQFORHZQXZDY-WMZHIEFXSA-N 473.599 1.935 30 10 JDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722493547 IMAJXOIBJDXJJY-JYJNAYRXSA-N 458.357 1.252 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1722523199 GIGWXGCHXGWBDY-GOSISDBHSA-N 468.624 1.270 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2cnn(C)c2)CC1 1722688883 NRSHNNVZICRVBP-UHFFFAOYSA-N 488.394 1.408 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1722690075 FCULPASCIMRSAE-AQNXPRMDSA-N 459.639 1.911 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1722702118 DPMDHZSSJBQFFG-HZPDHXFCSA-N 450.540 1.162 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(CCCOC2)C1 1722724979 JZNSXONKIDJGTB-OAQYLSRUSA-N 460.560 1.533 30 10 JDEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOCCN(C)C)C[C@H]2C)CC1 1722800189 YWGJLZOOCVNRKK-YKSBVNFPSA-N 494.644 1.384 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)Cc1ccccc1 1722866351 AVQCBEYHNOHZKP-AEFFLSMTSA-N 465.601 1.391 30 10 JDEE CCC[C@@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1727909874 FRAAXEQFUIKMRR-PGRDOPGGSA-N 473.603 1.325 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C#N)C1 1729342496 DVUDHGJNBNNRFK-OAHLLOKOSA-N 469.365 1.328 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)N(C)Cc1ccccc1 1740553920 VNICAQKNAJNNTK-VWPQPMDRSA-N 488.658 1.980 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1740624712 JJVNTJSDTPCESO-QGZVFWFLSA-N 455.544 1.079 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1740668338 KOFHGDPZDSVYHU-XLAORIBOSA-N 458.563 1.713 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCNC(=O)C(C)(C)C)CC1 1740700180 IZJIMQJMKUKUKY-UHFFFAOYSA-N 454.575 1.783 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1740954076 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C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1749158745 LNXWESOZNWPQJI-MOPGFXCFSA-N 466.652 1.525 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1749230045 TYRALYTXRCVSRQ-HXUWFJFHSA-N 470.599 1.971 30 10 JDEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)COC)CC1 1749264707 CYOVUWPHCNFJQN-UHFFFAOYSA-N 467.983 1.286 30 10 JDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1749285375 HLRUBQDMGLRAFX-UHFFFAOYSA-N 452.606 1.921 30 10 JDEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(S(C)(=O)=O)CC1 1749447439 FELXIWOFPWIUJW-UHFFFAOYSA-N 450.521 1.528 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Nc2cccnn2)CC1 1749457543 MWENLXFWEZUIEU-QGZVFWFLSA-N 461.592 1.644 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N2CCCCC2)C1 1749457825 RDDNOYJUCKHYCZ-PMACEKPBSA-N 482.651 1.268 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749664789 ZOJXHSQYRIIIDD-JOCHJYFZSA-N 455.494 1.201 30 10 JDEE 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C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(F)c1 1286726922 KTOXVWRCQLRVDM-CRAIPNDOSA-N 453.540 1.840 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1286750664 FKDGAPDCEXUVHA-UXHICEINSA-N 453.595 1.591 30 10 JDEE C=CCn1c([C@H](C)OCCOC)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1286770841 KXGSXYKUWQFODD-VVLHAWIVSA-N 485.607 1.315 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(C)=O)C1 1286786823 JDNXAXIYAVCVKO-QGZVFWFLSA-N 478.557 1.082 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1286793506 GVVMALPVEAQKNM-SJORKVTESA-N 473.578 1.463 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1286815001 YRRJBAHGRBONMV-IAGOWNOFSA-N 498.650 1.757 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCn2nc(C)nc2C1 1286822434 KCNXUMTVCUAANM-UHFFFAOYSA-N 457.560 1.421 30 10 JDEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1286831161 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1.453 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@](C)(OC)CC1 1359295781 NTFUGLHMKBKJMA-QFIPXVFZSA-N 451.535 1.618 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2cnccn2)CC1 1359296714 RNXLUIIEEFPHRG-UHFFFAOYSA-N 464.530 1.381 30 10 JDEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1359555021 FHWVIFXOKJRHIV-SJLPKXTDSA-N 494.618 1.556 30 10 JDEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1)N1CCOCC1 1359658577 DSWQPPBCECBZQL-SFTDATJTSA-N 451.575 1.875 30 10 JDEE CNC(=O)C(C)(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@](F)(C#N)C1 1503697342 BUMOQNQHDCVLMM-VWLOTQADSA-N 482.608 1.857 30 10 JDEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CC1 1503767535 BZHHOGYSGKQOFQ-QHCPKHFHSA-N 454.531 1.497 30 10 JDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@H]2OC)CC1 1504531045 GCRVOXZUUQCALC-WOJBJXKFSA-N 454.531 1.163 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1507589694 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C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1508089693 CPQNDRFVSKNRPO-UHFFFAOYSA-N 481.557 1.297 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)OCC)C1 1508124730 MKCXBOKFTBMZEQ-SJORKVTESA-N 457.597 1.207 30 10 JDEE CCc1cnc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)s1 1513720836 FUTPNJZVDRGKIO-RDTXWAMCSA-N 469.568 1.120 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cnc3c(c2)C[C@@H](NC(=O)OC(C)(C)C)CC3)C1=O 1535216058 QEIGVYWSMPYVLR-AWEZNQCLSA-N 457.487 1.379 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCn2cc(Cl)cn2)c1 1539043215 OGPZAEUOICZILT-GOSISDBHSA-N 466.933 1.836 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2c[nH]c3ccccc23)CC1 1539432005 XBUYHFKGAWWXMU-KRWDZBQOSA-N 455.588 1.368 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCN2CCN(C)C(C)(C)C2)CC1 1539484319 LAEHKZVFYBISLS-UHFFFAOYSA-N 478.645 1.256 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2CC(=O)NCC(F)F)CC1 1539488966 PDYKCBCQPCIJQU-UHFFFAOYSA-N 483.523 1.628 30 10 JDEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1539758743 SWVNVQIZMKQCIB-UHFFFAOYSA-N 458.607 1.764 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCN2CC)CC1 1539890987 XIWKQUNRNSNKAE-MOPGFXCFSA-N 452.625 1.498 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 1540901632 KSNLRCATRXUBAC-UHFFFAOYSA-N 485.614 1.285 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1540901982 WTAKMSITNDAUTG-UHFFFAOYSA-N 455.544 1.719 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1540902689 OKFLTZPERKATET-IAGOWNOFSA-N 460.622 1.176 30 10 JDEE COC1(CCn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)CCC1 1554705519 DYFPQTITUYFHDP-QGZVFWFLSA-N 467.578 1.752 30 10 JDEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)c1ccc(Cl)cc1F 1568896653 ADPKBHLPKCLGIS-QGZVFWFLSA-N 458.920 1.652 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccco2)c1 1587692592 GJZJMQOQQYSNIC-HXUWFJFHSA-N 498.565 1.309 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccnc2)c1 1587693978 YWLKDNVXDXVPDF-HXUWFJFHSA-N 478.578 1.874 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1588028927 ASFSSNRMKMFDJI-GOSISDBHSA-N 461.592 1.028 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ncnn1C(C)(C)C 1588124777 QVSZWNCZLDOCMG-UHFFFAOYSA-N 455.526 1.660 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1595753336 HIIQXBSGNCNALW-UHFFFAOYSA-N 492.627 1.139 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1595777468 NFDZDLQVAQAASR-QGZVFWFLSA-N 467.617 1.372 30 10 JDEE CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)N2CCN(c3ccc(C#N)nc3)CC2)cc1 1655521246 HHQYSTXXEZSBQZ-QGZVFWFLSA-N 456.572 1.789 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1689982161 IYIQVHRWQCRGLA-KRWDZBQOSA-N 467.580 1.906 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1690056272 LWOGTYKCRZORDS-IEGUWTFLSA-N 491.614 1.061 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1690174788 KFHQIOZUHNGNPG-PMACEKPBSA-N 471.608 1.996 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690661591 AFTOVXWACVJBRP-UHFFFAOYSA-N 497.625 1.964 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1690673013 LBVPPBQRJPFESV-IBGZPJMESA-N 493.033 1.829 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(C(N)=O)CCOCC2)C1 1690690383 XMBIZBKIYMJEFM-SFHVURJKSA-N 489.598 1.412 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1690714652 QVFWLEDJCZNPLM-AZUAARDMSA-N 491.614 1.988 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690717703 NVGRUTVWSPYOSL-CQSZACIVSA-N 498.407 1.193 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1690720609 NMNGOLUCGIIAIL-SFHVURJKSA-N 497.625 1.207 30 10 JDEE CCN1CCN(C[C@@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CC1 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C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1705757941 DLSUUZPAFIDIBV-KRWDZBQOSA-N 464.014 1.722 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC2(CCC2)C[C@@H]1CC 1705904523 RBZAIWMXAYPGJS-DLBZAZTESA-N 466.608 1.072 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)N2CCSCC2)C1 1705918815 QWICWOCNMPHWGK-INIZCTEOSA-N 452.606 1.433 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1705934553 PIKKEOLTRVXSJK-ZQHDKMAOSA-N 465.601 1.204 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1705936817 ZCSROSNZRISCLP-QGZVFWFLSA-N 453.609 1.815 30 10 JDEE CC1(C)COCCN1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1706934650 DDEOWUVIRSNPIC-LAUBAEHRSA-N 450.609 1.421 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1722308630 OSOAWSINOYOEHY-IRXDYDNUSA-N 484.623 1.422 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCNC(=O)c2ccco2)c1 1722309312 MNXQVUYUWZARGV-SFHVURJKSA-N 462.510 1.861 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1722360482 ICLIUPBXGUNFRI-GUNSETOZSA-N 450.586 1.349 30 10 JDEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1722368206 ZTKJLQMCBLLYMW-FQEVSTJZSA-N 467.595 1.677 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCNS(=O)(=O)CC)CC1 1722433556 ZTLSWVXBQPXCRN-UHFFFAOYSA-N 499.410 1.541 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H](O)C1 1722473278 BYLUQWJARMESCZ-TWFHAPMSSA-N 451.593 1.154 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1722510829 WZVGRYHNTMPTCG-TZNCUMHOSA-N 474.649 1.419 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCS(=O)(=O)CC 1722694012 INLBHZRQBFDZOR-UHFFFAOYSA-N 470.393 1.881 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1722724817 GXVQCRZAFCMZOB-QHCPKHFHSA-N 489.598 1.744 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CCOC[C@@H]1C 1723951393 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489.690 1.600 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC(=O)N(C)C)CC1 1286487687 PCEQQWXXKMSEIP-UHFFFAOYSA-N 467.530 1.688 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCOCC(F)F)CC1 1286490901 WJFMWJUKXBZCJB-UHFFFAOYSA-N 485.495 1.841 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1286493333 NQKONEKFZZVOQH-LJQANCHMSA-N 483.569 1.822 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C(=O)NC)C1 1286563938 LQLUTCGETCSGRV-BXWFABGCSA-N 474.587 1.202 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(CCC)C1)C1CC1 1286737826 OQJMDHHEAVTPKL-MJGOQNOKSA-N 452.625 1.498 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)COC1 1286766643 UJRIPDWWITYVQA-SFHVURJKSA-N 465.576 1.476 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C(=O)NC)C1 1286787664 HVCCZXKGRGEHGZ-ZWKOTPCHSA-N 489.621 1.657 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1286822526 FJKKSZONGMDSJC-QGZVFWFLSA-N 489.568 1.813 30 10 JDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1294911713 DTZNJXBQSIOFTF-SFHVURJKSA-N 465.558 1.750 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCC(=O)NC)c1 1300331130 GJCVSCAURJVPAK-DEOSSOPVSA-N 468.558 1.511 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1300487873 MXJFIKTWWLWJPE-JXFKEZNVSA-N 460.585 1.275 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CC(OCC)C1 1300606969 YEXJJBLATNEWRF-UHFFFAOYSA-N 461.588 1.585 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1CCCC 1300631058 KXQYYQRYFCJACU-UXHICEINSA-N 466.652 1.725 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccccc2OCCN(C)C)CC1 1300707454 ZXDAPTDESXUFOC-UHFFFAOYSA-N 476.629 1.884 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1300725732 DCBKMSDBTWWRRQ-HXUWFJFHSA-N 466.561 1.889 30 10 JDEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1300950976 UJVGLTKVKXGDCP-UHFFFAOYSA-N 474.635 1.888 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1300991636 WCTPQNXUUOOVBE-QZTJIDSGSA-N 471.624 1.455 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1301150846 CANLCRFFIJCKGO-XHSDSOJGSA-N 469.564 1.327 30 10 JDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1301238883 GKALZCAOQUKOAJ-OKZBNKHCSA-N 498.650 1.784 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1301588893 LGXSYZIKQRSVLX-KRWDZBQOSA-N 477.587 1.683 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C(F)(F)F)cc1 1303866167 GVMYXYXHFIMPFM-IUODEOHRSA-N 458.466 1.684 30 10 JDEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CCO1 1306448423 FILJLIZUSVCXMM-MOPGFXCFSA-N 474.587 1.768 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc2c(c1)COCC2)[C@H]1CCS(=O)(=O)C1 1358956542 HGLRGTBXAJKGSQ-AVRDEDQJSA-N 488.610 1.750 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1358957508 VLCPRSYUUAVTFJ-HZPDHXFCSA-N 473.534 1.361 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCN1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 1358958097 HSOZMOKRKIRSON-QFIPXVFZSA-N 485.654 1.981 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1358967459 KURQATIBWWDJHS-KCXPTXFHSA-N 452.621 1.984 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC(F)F)OCO2 1358969220 JMEJSQGVWGMOBP-CYBMUJFWSA-N 481.481 1.340 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC(=O)N2CCCCC2)CC1 1359029896 JZRLMBMNBZDVFK-DEOSSOPVSA-N 458.607 1.477 30 10 JDEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1359061543 FUQPJRQGOIUJQY-QGZVFWFLSA-N 461.613 1.897 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1359122148 ZXHVOGSNJLSNHD-GOSISDBHSA-N 491.618 1.307 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccs2)CC1 1359227735 KOKZDOHRXFWJCX-GOSISDBHSA-N 496.659 1.592 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1359332684 DNGJANBKUAMRJJ-YJBOKZPZSA-N 484.600 1.261 30 10 JDEE CC(C)(C)S(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1359586993 DPZDNQLCUHXRSR-CRAIPNDOSA-N 461.544 1.733 30 10 JDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@]3(C#N)CCC[C@@H](C)C3)ccc2F)CC1 1435562344 HTDCEUYXEZSAFE-QVKFZJNVSA-N 450.536 1.881 30 10 JDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@]3(C#N)CCC[C@H](C)C3)ccc2F)CC1 1435562347 HTDCEUYXEZSAFE-YCRPNKLZSA-N 450.536 1.881 30 10 JDEE C#CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C1CSC1 1453164750 JGGTYYDJDHCHDQ-UHFFFAOYSA-N 453.561 1.016 30 10 JDEE Cc1nc2c(c(O)nn2C)c(C)c1CNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1465225701 HDIYJLZLURPLHG-NSHDSACASA-N 456.528 1.424 30 10 JDEE CN1CCC(CNS(=O)(=O)c2cc(Br)cc(C#N)c2)(N2CCOCC2)CC1 1475390966 GRBZRJGASRSCCU-UHFFFAOYSA-N 457.394 1.396 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCc2cnn(C)n2)c1 1507549989 RRSUVZHNTCLBEZ-UHFFFAOYSA-N 458.530 1.496 30 10 JDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1507579679 DLRJBRTYWJUCLW-LJQANCHMSA-N 489.598 1.964 30 10 JDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507610939 KCMCXYQAOHNVIO-GOSISDBHSA-N 478.523 1.785 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1507640973 XDMHYRWRKFSTBQ-XUZZJYLKSA-N 472.611 1.886 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2CC(=O)NCC=C)CC1 1507735292 QZWWQJNYAVNYRT-UHFFFAOYSA-N 485.386 1.976 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COC)C1 1507798584 OMFDCTZZOOZTHA-YRXWBPOGSA-N 469.608 1.065 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2sc(C)nc2C)CC1 1507885200 UNWXMGYSTUPRPX-MRXNPFEDSA-N 452.606 1.889 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1507968654 WKQYQHWYCPUFGY-ZCNNSNEGSA-N 467.636 1.320 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1508079892 GRVBVVDSURBWBT-UHFFFAOYSA-N 484.008 1.914 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1508089553 CCWQYSTXMNNMDZ-JOCHJYFZSA-N 495.628 1.519 30 10 JDEE C=CCNC(=O)Cn1c(N(C)C2CCC(NC(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1508092275 AUUXRIIZWKEJKI-XWEVFREBSA-N 462.595 1.504 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN([C@@H](C)C(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1508097336 HZMMGOUBCNCXPQ-HNAYVOBHSA-N 460.501 1.305 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1508132972 AJCLARKBGBXHDA-UHFFFAOYSA-N 486.598 1.629 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1508144814 HLDLKFOZMMJYFJ-LJQANCHMSA-N 463.579 1.844 30 10 JDEE Cc1nccn1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1511616845 ADPDXTDVDVAJSQ-UHFFFAOYSA-N 454.560 1.494 30 10 JDEE C=CCN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)[C@H](Cc1ccccc1)C(=O)OCC 1516154035 AJRDAXHAPJBBCI-LJQANCHMSA-N 450.495 1.435 30 10 JDEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1516946221 FNYGANQKHUYFNC-VQTJNVASSA-N 464.574 1.071 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc(CNC(=O)c2cccs2)n1CCN1CCCS1(=O)=O 1517124443 HZKLMQAMKBVRKD-UHFFFAOYSA-N 499.622 1.813 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1517624916 DUEHRUDWPLSVRG-UHFFFAOYSA-N 499.641 1.985 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1539017062 XNNLCSQALXRFPX-MUGJNUQGSA-N 466.652 1.437 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1539053356 QAISUWRPXDTQFJ-MSOLQXFVSA-N 460.608 1.587 30 10 JDEE C#CCN(c1nnc(C)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1539206875 WKQHNRPPQSUTKN-ROUUACIJSA-N 451.593 1.860 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1539219293 BRXNQNMNCFUYDA-PZJWPPBQSA-N 457.600 1.913 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(N(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 1539219938 GDUHERGSWRXUPJ-FPOVZHCZSA-N 457.600 1.831 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1539223988 AYUKUTIEEFIYHO-FPOVZHCZSA-N 458.584 1.878 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1539231411 VRGWTLKIMVBUCW-JOCHJYFZSA-N 453.612 1.952 30 10 JDEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1539750781 VRYLZFXXQMFQPH-HOYKHHGWSA-N 490.605 1.896 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1540871601 PFZJEPVXMGOSSD-CRAIPNDOSA-N 461.544 1.106 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1540901778 OWBAJLOVUXYGBZ-UHFFFAOYSA-N 483.554 1.004 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@H]1C 1540903757 HMBORGHIPGQBBB-IAGOWNOFSA-N 485.607 1.412 30 10 JDEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(=O)N1CCOCC1 1540912226 QPLIVHSFYPAJJE-UHFFFAOYSA-N 459.572 1.931 30 10 JDEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)NC)cc1 1547978146 FYBDINFUHDXJQX-MAUKXSAKSA-N 464.548 1.095 30 10 JDEE C=CCn1c(SCC(=O)NC(C)(C)CNS(N)(=O)=O)nnc1-c1ccc(Cl)cc1 1558177697 FWNCDZFRWNSSRX-UHFFFAOYSA-N 458.997 1.565 30 10 JDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 1567596130 HYURUBHLWHRWRF-WIYYLYMNSA-N 456.568 1.632 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1OC 1587990354 WELQHCFUVLZHJQ-QGZVFWFLSA-N 453.952 1.391 30 10 JDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OC)c(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1588049956 OIWOWUZVDVUTMQ-KRWDZBQOSA-N 460.556 1.856 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1588064465 INGMAJUJHBHLNK-KRWDZBQOSA-N 483.516 1.369 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(CC)CC)cc1 1588233107 AYEMLQOQJXIDIV-HSZRJFAPSA-N 498.653 1.968 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)nc1 1588233257 FLQOGFOVGQPLHD-KRWDZBQOSA-N 462.963 1.171 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)N1CCN(CC)CC1 1588646888 OKSGNXQPRPZDDV-OFNKIYASSA-N 468.602 1.903 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(NC(C)=O)cc2)CC1 1588890737 FLYFEMCSYOARBX-AREMUKBSSA-N 494.596 1.903 30 10 JDEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C)C(=O)[C@H]1C 1593747450 WPQQBDAUPUUSGS-GOSISDBHSA-N 454.579 1.712 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)COCCO1 1595084817 MZKZOGYIMZKCBS-HTAPYJJXSA-N 474.587 1.758 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCOC1 1595551089 LLQGRBFKPBTGFC-QZTJIDSGSA-N 478.594 1.752 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1595577279 NQTSUSBZJJFRNX-NZQKXSOJSA-N 495.628 1.457 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1595884550 NEDWYTPSGALSMO-KRWDZBQOSA-N 482.676 1.826 30 10 JDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNS(=O)(=O)Cc2ccon2)cc1 1619191033 HYFGGZQHRTXDHA-HXUWFJFHSA-N 475.506 1.503 30 10 JDEE C#C[C@H]1CCCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1639240202 BIMNJZRBIBFCTA-KRWDZBQOSA-N 451.976 1.825 30 10 JDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1cn2ccc(C)cc2n1)[C@H]1CCS(=O)(=O)C1 1689980522 TUWRTOGTXJMOFM-QUCCMNQESA-N 486.598 1.633 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689988246 LMVRFVDUZPVBEQ-WBVHZDCISA-N 477.591 1.219 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cnn(C)c1C 1690025357 NUSOXMPQCQKECN-UHFFFAOYSA-N 456.598 1.806 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1n[nH]c(C)n1 1690088579 QBXPFLBNZCXLEU-AWEZNQCLSA-N 460.539 1.336 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCn2cc(Br)cn2)CC1 1690128745 JGPOVYJGTXJSTO-UHFFFAOYSA-N 455.364 1.678 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCNC(=O)C(C)(C)C)CC1 1690150623 OOCOXCPYHVWDJT-UHFFFAOYSA-N 451.575 1.392 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](COC)O[C@H](C)C1 1690235912 GEAOHXAGWVWDGF-WKULXVSPSA-N 457.597 1.110 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1690661770 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C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705900935 UUVJPNIOPWBNGF-GOSISDBHSA-N 455.544 1.056 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN([C@@H](C)C(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705909120 NSXSDNUZJBFDPT-JXFKEZNVSA-N 474.528 1.694 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@]2(O)CCOC2)C1 1705916829 ONUJVDMXYNTLEO-GAJHUEQPSA-N 460.531 1.904 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1705934453 NDGVLUCZJAHXSN-IAGOWNOFSA-N 497.618 1.506 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1705938477 ZSMJJDHFYOSAKW-HXUWFJFHSA-N 486.642 1.712 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C(N)=O)nc2)c1 1722309532 OUVCJPHCOQEJRC-LJQANCHMSA-N 473.537 1.771 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1722367241 LIJVPBOXIYOHFF-MOPGFXCFSA-N 463.604 1.549 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1cccc(N2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 1722369579 BLBLEINGMQUKEX-OAQYLSRUSA-N 473.599 1.326 30 10 JDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1722371956 NNBSZRBUJLJFHZ-UXHICEINSA-N 471.583 1.569 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1722433071 KNYMTSGYJOMKQG-XUZZJYLKSA-N 460.623 1.042 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCC(=O)N(C)C)CC1 1722442777 BYIYVHVGRMVIDL-UHFFFAOYSA-N 482.585 1.797 30 10 JDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)COC)CC1 1722493602 JATFSENJJRYHNM-HOCLYGCPSA-N 458.357 1.206 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(C)=O)CC1 1722703541 BGNGOBQYTSHRKB-SFHVURJKSA-N 475.594 1.711 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@]3(CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722731371 JIINOILSYXPXIV-LEWJYISDSA-N 454.593 1.536 30 10 JDEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1740595901 MDRAYLWNFRZUHB-UHFFFAOYSA-N 463.546 1.168 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740622279 WTODLZSLYJLLJR-ZWKOTPCHSA-N 452.540 1.829 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 1740625134 OFZKPGHTTNJKDA-INIZCTEOSA-N 477.537 1.548 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1740627451 QOAZIXMMVPJQNV-CVEARBPZSA-N 466.510 1.766 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1740683499 IQVQFEKDXFNBEY-OALUTQOASA-N 455.542 1.111 30 10 JDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[C@@H]2N2CCCS2(=O)=O)CC1 1740696442 UTJMEHZMXJBQRQ-PMACEKPBSA-N 462.664 1.826 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1740749687 CBSCPFJWLXIONO-PKOBYXMFSA-N 465.620 1.899 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1740752096 SMYOLVYXTGDLRE-HAGHYFMRSA-N 496.678 1.858 30 10 JDEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740782291 LMVDQADLTDLLEQ-UHFFFAOYSA-N 467.622 1.675 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2OCO[C@@H]2C1)C(C)C 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C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccoc2CC(C)(C)C1 1508088504 BEHWEZXCJMDYEJ-GOSISDBHSA-N 492.602 1.095 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1508090782 IOSXEPUACFFBMB-QFIPXVFZSA-N 459.572 1.483 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1508138961 BFLNDMWGOFGQLA-UHFFFAOYSA-N 457.516 1.750 30 10 JDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCOCC2)CC1 1513194885 CGCRYNQZIHPRCT-SFTDATJTSA-N 494.644 1.574 30 10 JDEE CCO[C@@]1(c2nnc(N3CCN(c4ccccc4C#N)CC3)n2CCS(=O)(=O)CC)CCOC1 1516211663 ALOKOAMWGZOTQC-QHCPKHFHSA-N 488.614 1.563 30 10 JDEE CN(CCc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1517271489 FEQCFPYYPHPNCS-SFHVURJKSA-N 466.571 1.567 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCC(=O)N(C)C)c1 1539046191 OKEOPLDSJBECCM-UHFFFAOYSA-N 462.558 1.674 30 10 JDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1539215505 DNSHUGVGFKTEFP-REWPJTCUSA-N 468.583 1.919 30 10 JDEE C#CCN(c1nnc(COCC)n1CCOc1ncccc1Cl)[C@@H]1CCS(=O)(=O)C1 1539230593 IPNKPXVRTQRJLF-OAHLLOKOSA-N 453.952 1.569 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1539445750 DKVCDMSCICRFAT-OAHLLOKOSA-N 467.521 1.144 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CC[S@@](=O)CC)CC1 1539445894 JTXGWASOAOGGEE-UMSFTDKQSA-N 481.626 1.589 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1540006789 WQNUIYJZKHFFDG-DFQSSKMNSA-N 464.636 1.135 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1540870499 OYNGSKGMBBNEOS-QGZVFWFLSA-N 458.538 1.949 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1540873701 GURUVDIBASWBEB-IBGZPJMESA-N 461.588 1.605 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N2CCSCC2)C1 1540888793 YKBCZEMIKBMQDF-HXUWFJFHSA-N 488.639 1.977 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1540900811 JCVSPVPXHMQYOT-FQEVSTJZSA-N 459.620 1.157 30 10 JDEE CCOc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCCS2(=O)=O)cc1OC 1547944236 HZVUXCGEAYAFIF-INIZCTEOSA-N 462.576 1.984 30 10 JDEE C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 1559717655 UPFKKAHJTBHAPF-GFCCVEGCSA-N 452.886 1.771 30 10 JDEE Cc1cc(C(=O)NC2CCN(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)no1 1564546866 BBIZIQFRAAIKPT-IBGZPJMESA-N 450.499 1.954 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1588035289 QXFFYUNNAZEKFZ-LJQANCHMSA-N 493.655 1.868 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C(C)(C)C)no1)[C@@H]1CCS(=O)(=O)C1 1588054278 MWFNOEZCJMSUFF-JKSUJKDBSA-N 495.627 1.141 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1588055198 SVONRUPTHFBVGU-QUCCMNQESA-N 471.583 1.497 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588070205 XFCJMDXKRIQYSS-QFBILLFUSA-N 475.619 1.071 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1589069003 HHPJZCHSEWPWQD-QGZVFWFLSA-N 480.660 1.273 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)C(C)C 1595171647 XOTUKSBFKWKXMO-OALUTQOASA-N 498.632 1.448 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2OC)CC1 1595405141 DYFLWFJCCVONCT-IBGZPJMESA-N 462.576 1.132 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1595467430 UGBALZMWVINGJD-ZWKOTPCHSA-N 487.605 1.556 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1595765678 FLQIDQMGEUMRJS-UHFFFAOYSA-N 478.575 1.025 30 10 JDEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CC1 1615046700 FLMAEHHSYUNLOG-HSZRJFAPSA-N 488.614 1.920 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC(OCC)C2)C1 1615972441 DACJSWROPWGKPN-LVIWNVNYSA-N 474.587 1.265 30 10 JDEE C#CCN(C)C(=O)C[C@@H]1c2nc(NC(=O)COC)sc2C[C@@H]2[C@](C)(CO)[C@@H](O)CC[C@@]12C 1616130488 PPTXPOCPHONMLZ-ZJGLVFBPSA-N 463.600 1.625 30 10 JDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOCC2(C)C)CCN1S(C)(=O)=O 1620313847 HQDYZJODEQTWRE-SFHVURJKSA-N 487.630 1.398 30 10 JDEE COC(=O)[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1c1ccc(F)cc1F 1630450573 IDOQNVYFUGZDDM-FASAQXTFSA-N 477.489 1.918 30 10 JDEE C#CCC1(O)CCN(C(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1643512965 NCFXIZVJWUNIPJ-UHFFFAOYSA-N 450.557 1.673 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1689835942 VJACZUDEYMVCBM-WIYYLYMNSA-N 486.642 1.749 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCNS(=O)(=O)CC 1690047383 PQMPLVGWCUYOKT-UHFFFAOYSA-N 492.646 1.795 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)Nc2ccc(F)cc2)CC1 1690113824 VYJKOCLAPLDRML-QHCPKHFHSA-N 456.522 1.463 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(C(N)=O)CCCC2)CC1 1690115133 UBTSKFJPZDIILB-UHFFFAOYSA-N 482.585 1.772 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1690155326 ISYQWBWNLGYAMF-UHFFFAOYSA-N 496.641 1.426 30 10 JDEE C#CCSCCn1c(N2CCO[C@H](c3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690186032 KVUJEIYUSJJFHA-SIKLNZKXSA-N 460.604 1.997 30 10 JDEE C#CCSCCn1c(N(C)CCS(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690186459 QNLCHPDVZJEZKC-IYBDPMFKSA-N 471.649 1.896 30 10 JDEE C=C(Br)Cn1c(N2CCC(OCC(N)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690234946 RZFGMMRQDNTUHR-IBGZPJMESA-N 472.384 1.698 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](COC)C1 1690235909 GEAOHXAGWVWDGF-AVEIZBFRSA-N 457.597 1.110 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690239105 RGHBJBHDFMYJNK-AQNXPRMDSA-N 492.621 1.157 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1690665498 GGSVJOGBQVWFKR-IRXDYDNUSA-N 454.531 1.369 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1690668223 XGIYMFPXXMWMMF-UHFFFAOYSA-N 474.569 1.081 30 10 JDEE C=CCNC(=O)Cn1c(N2CCCN(S(=O)(=O)c3ccccc3)CC2)nnc1C(C)(C)C 1690676884 HJFZZHTWPATHHL-UHFFFAOYSA-N 460.604 1.779 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](N2CCCC2)C1 1690714105 FBIWZPLTOUUTBM-SFHVURJKSA-N 450.609 1.180 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1690727247 YCRGINUWVMJFFW-IBGZPJMESA-N 454.556 1.917 30 10 JDEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)CC1 1690827401 DULBFEBQKKGDPJ-UHFFFAOYSA-N 477.525 1.697 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC(F)F)cc1 1692799646 HXOQWWWVDDLNLN-SWLSCSKDSA-N 456.475 1.267 30 10 JDEE CCOc1ccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1OCC 1696124585 GTFNQVCQNIJHNH-ROUUACIJSA-N 454.531 1.998 30 10 JDEE COC1CCN(C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)CC1 1697663595 IBLBXPWBTSTBKR-UHFFFAOYSA-N 451.575 1.985 30 10 JDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1698028116 BYXMIVFVQGZFNF-OAQYLSRUSA-N 467.574 1.223 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cc(C)no2)CC1 1705640226 JPXQYFIQKHCBKS-LJQANCHMSA-N 471.562 1.686 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)c2cccs2)CC1 1705648317 QWQRGAOMCYSKOZ-SFHVURJKSA-N 470.599 1.629 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1705659927 JJFSFEIXLFRXEC-LJQANCHMSA-N 488.639 1.497 30 10 JDEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705685883 KWLITPFCJSCTCU-OAHLLOKOSA-N 467.368 1.356 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)CC1 1705696425 NWIZUVYUTPXPMH-XLIONFOSSA-N 459.572 1.656 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1705709134 LIJQTNFIMAZOMT-FXAWDEMLSA-N 480.591 1.436 30 10 JDEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCS(C)(=O)=O)C1CC1)c1ccccc1 1705742833 GYFFHBABRPJMEI-SFHVURJKSA-N 464.613 1.907 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705898021 YZCPUFKENWCYTL-PBHICJAKSA-N 467.979 1.997 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ncc(CC)s2)C1 1705924928 HTYOYGOMBWNKPP-FUHWJXTLSA-N 496.659 1.654 30 10 JDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1706632668 FNDOWYAGFWPNNW-UHFFFAOYSA-N 459.576 1.203 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(O)CCS(=O)(=O)C1 1722284241 XAQNYPZCHCQCFL-KPZWWZAWSA-N 471.352 1.854 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCNC(=O)C(C)C)c1 1722304949 BLYLCUNZRKQHFS-UHFFFAOYSA-N 453.547 1.245 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722358501 IREAVFDCYYZKNE-NMEJYPJZSA-N 485.676 1.370 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCOc1ncccc1Cl)[C@H]1CCS(=O)(=O)C1 1722361141 LQRGEQJEFIPCDQ-HNNXBMFYSA-N 473.946 1.489 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722365318 NHVRFFRKOIGWJZ-ZIFCJYIRSA-N 479.628 1.319 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)c2ccc(Cl)cc2)CC1 1722438246 UPANVXHKQVYSKP-AZUAARDMSA-N 478.018 1.977 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)C(=O)NC)CC1 1722448578 FAWXEXCZAUDRLV-UHFFFAOYSA-N 450.587 1.915 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1722493541 JXJXXUPTXJDCAY-NDXORKPFSA-N 471.558 1.895 30 10 JDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1722627269 JVOJXIFASCRQIP-LEWJYISDSA-N 460.623 1.898 30 10 JDEE Cc1ccc(C(=O)NCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)cc1F 1724247736 DRIXFSYFHPILTM-AOMKIAJQSA-N 491.593 1.896 30 10 JDEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)CC1 1728628680 GKJFSDFRMSTGSQ-NRFANRHFSA-N 494.644 1.385 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN(C)C(C)C)c1 1740564762 WULOCLJRQPVXFD-HXUWFJFHSA-N 486.642 1.967 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1740615789 LEZBZWIYBCNACS-LJQANCHMSA-N 473.599 1.821 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1740624423 GXOWAPBEEGUVNQ-JJCDCTGGSA-N 464.613 1.273 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1740624576 IEUSZJQBAFHHFE-QUCCMNQESA-N 497.625 1.448 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1740625467 NXTIVKHIRVZPIM-KNQAVFIVSA-N 481.018 1.937 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1740625520 OIBVHDPPIOXATQ-TZIWHRDSSA-N 471.627 1.846 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@]1(O)CCS(=O)(=O)C1 1740633237 AQVNAHVUISUQHF-OPAMFIHVSA-N 458.609 1.754 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1740685170 KNIDMFQOJMYDCL-NRFANRHFSA-N 453.591 1.453 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([S@@](C)=O)CCC1 1740685360 MPAHQAJMKRSZHS-MGBGTMOVSA-N 471.631 1.839 30 10 JDEE C=C(Cl)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740806840 GPMLXWSSZDFMCY-UHFFFAOYSA-N 474.949 1.642 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCNC2=O)CC1 1740851379 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1748815667 SQQJAEXMFAKQDX-FQEVSTJZSA-N 472.615 1.388 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1748819112 KWIBSHSOGHDOMF-IBGZPJMESA-N 475.590 1.797 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1748835449 CWBURHNANHWKHF-HSZRJFAPSA-N 472.567 1.363 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CCC 1748892234 LQVSBIQRDJUPKB-SFTDATJTSA-N 476.647 1.338 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCS(=O)(=O)C1 1748914449 DWJONHLEDGEDGA-QGZVFWFLSA-N 479.628 1.480 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(Cl)cccc2OC)CC1 1748972818 RIKUBEBQXKVHLM-OAHLLOKOSA-N 466.995 1.354 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC[S@@](=O)C(C)(C)C)CC1 1748988839 CQCNQRVCQSHNOW-UUWRZZSWSA-N 484.674 1.755 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@](C)(O)c2ccsc2)CC1 1749008896 ITWIXZSHCZYWTH-QFIPXVFZSA-N 453.572 1.614 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1749016084 ZFSJVWGSOHTBJC-UQBPGWFLSA-N 451.571 1.569 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCCC1 1749067996 ZJNLQJCIKOQXAA-VQIMIIECSA-N 454.618 1.530 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CCCO2)CC1 1749229074 GHHYYJKZRVQRID-PMACEKPBSA-N 483.635 1.599 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccccc1OC 1749651408 VCXAKPNCYILWIV-WBVHZDCISA-N 462.576 1.541 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749658386 OYCMRMUPUQTUQK-LPHOPBHVSA-N 487.008 1.285 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCCO[C@@H](C)C1 1749665720 ATTBNTVAMHQSMM-KRWDZBQOSA-N 465.558 1.982 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(OC)C1 1749689546 GWOMMFSGULOCRY-LJQANCHMSA-N 477.587 1.449 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1749736625 MNYZRPQRIGAVOJ-IBGZPJMESA-N 499.593 1.936 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(C(=O)NCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1760181617 YJVHTIKIVCABJD-LJQANCHMSA-N 485.610 1.887 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCSCC(C)C)[C@H]1CCS(=O)(=O)C1 1760186549 OPZDJJFOONUJQM-MSOLQXFVSA-N 488.701 1.586 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C[S@@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1760193184 WDLFKMUMHMKUQS-IYZCWWITSA-N 476.624 1.683 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)c1cc[nH]n1 1760209078 URTXBIJQNRNVTJ-UHFFFAOYSA-N 478.944 1.478 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCC(C)CC1 1760220134 WWNJCYFVYHFPSO-NRFANRHFSA-N 476.647 1.196 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(C)C)cs1 1760249354 JZGFRHITFLYXMH-QGZVFWFLSA-N 482.632 1.325 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1760252206 NLGQVSSXLQABLD-LJQANCHMSA-N 452.559 1.745 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1760280152 CWQSNGNFFFGJEI-QZTJIDSGSA-N 483.660 1.109 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)C 1760280364 FCWFAZFLLSSQCN-KRWDZBQOSA-N 480.635 1.914 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C 1760522515 VJZKAPHTJCWWNC-IHPCNDPISA-N 488.614 1.296 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1761362113 AJQOSAOLDILGBS-RBSFLKMASA-N 464.514 1.182 30 10 JDEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CC1 1766648112 GBEZQVBKAKDOKA-NRFANRHFSA-N 494.644 1.528 30 10 JDEE COC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)C1 1769423126 GLILGISODNOJFB-GOSISDBHSA-N 485.570 1.787 30 10 JDEE CO[C@@H]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1770579879 FVJNPKPCASLHRC-NZSAHSFTSA-N 488.618 1.297 30 10 JDEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(O)c(O)c1)c1ccc2c(c1)OCCO2 1862607854 ZENUWHKJOJBNSF-JOCHJYFZSA-N 482.489 1.780 30 10 JDEE C=CCN=c1nc(N(CCO)CCO)[nH]c(=Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]1 1871571064 DKUAQNYZGIVYGF-UHFFFAOYSA-N 466.386 1.886 30 10 JDEE COc1cccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)c1O 1874209994 IYVDZFKJEAYRAL-XMQIJXBMSA-N 480.550 1.968 30 10 JDEE COc1ccc(-c2ccc(=O)n(CC(=O)N3CC(COc4cccnc4C#N)C3)n2)cc1OC 1891575958 IBWQPNOYYCUPSZ-UHFFFAOYSA-N 461.478 1.732 30 10 JDEE CN(C(=O)c1ccc(CNS(=O)(=O)c2ccccc2F)cc1)C1CN(c2nccnc2C#N)C1 1891806889 XDBYIURJWABVDB-UHFFFAOYSA-N 480.525 1.927 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124534021 GRIPMXCLTOBBGV-CYBMUJFWSA-N 452.292 1.034 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OCc3ccccc3)C2)n1 2247910506 MFFGHSVXDTUYAP-QGZVFWFLSA-N 454.336 1.860 30 10 JDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)[C@@H](C#N)C1 2249435113 KSROEPSCVJEKIZ-IRXDYDNUSA-N 496.542 1.141 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2255626321 DXRNSTMQTMDSRS-UHFFFAOYSA-N 454.358 1.568 30 10 JDEE C=C(CS(=O)(=O)NC[C@H]1COCCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255794033 GOOUECAAPQATIR-MRXNPFEDSA-N 460.402 1.977 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCc1cnn(Cc2ccccc2)c1 2267370794 QUGFDFNPALZJNH-UHFFFAOYSA-N 457.365 1.443 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H]2C(NS(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)[C@@H]2C1 2267375439 HOUKFEKNIDKFOH-HZPDHXFCSA-N 465.381 1.524 30 10 JDEE C[C@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N1C(=O)OCc1ccccc1 2267544699 XYIATOKXUHFSFG-CALCHBBNSA-N 483.378 1.986 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267704378 MPNHPYCGUWCDLR-OAHLLOKOSA-N 467.397 1.916 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2267711943 ALTOVVDHKBLLMG-UKRRQHHQSA-N 488.437 1.553 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2267714907 OYXZSCJLMUWXIM-AWEZNQCLSA-N 470.401 1.397 30 10 JDEE 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CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2284120073 UJIWXNKGMOLHST-GVDBMIGSSA-N 466.315 1.405 30 10 JDEE C[C@H](C[S@@](C)(=O)=NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)NC(=O)OC(C)(C)C 2337291981 LZAASJZRNCWVSP-RZQXLCLMSA-N 470.401 1.871 30 10 JDEE Cc1nc(S(=O)(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1C 2359277016 GOXMMJPRNHSTDN-SOUVJXGZSA-N 482.412 1.314 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)Nc2nnc(CNC(=O)OC(C)(C)C)o2)n1C 2362331534 HWLRJZRPNUOZMX-UHFFFAOYSA-N 462.316 1.688 30 10 JDEE C[C@@H](NC(=O)C(CO)(CO)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2370318412 VMOOTHQDHVRXGZ-OAHLLOKOSA-N 464.368 1.411 30 10 JDEE C/C(=N\Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccccc1C)c1ccc(O)cc1 17136076 RIFADZNWLMPNBH-FQNOVECQSA-N 492.536 1.724 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)CC1 33233796 BDSHZNGDDIYOIZ-UHFFFAOYSA-N 470.595 1.880 30 10 JDEE C=CCNC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)C(C)C)CC1 36214998 NUHNTDVNLQGACL-LJQANCHMSA-N 451.545 1.266 30 10 JDEE COCCn1cc(/C=N/Nc2nc(SCCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n[nH]2)cn1 59887307 XUALWWJTYFSBIB-ZVBGSRNCSA-N 483.514 1.098 30 10 JDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@H]1c1cc([N+](=O)[O-])ccc1F 72444388 YUVLITCHMWJPMP-ZFWWWQNUSA-N 470.417 1.384 30 10 JDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc3c(c2)OCO3)c(=O)n1Cc1ccccc1 254633048 WESHXKDZFGZKJB-UHFFFAOYSA-N 459.527 1.812 30 10 JDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(NC(=O)Nc4ccccc4)CC3)CC2)o1 1167715775 DPYSORSNLHIBMS-UHFFFAOYSA-N 451.531 1.789 30 10 JDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCN(C)S(=O)(=O)c2cccs2)cc1 1203383981 BTLBTXIJDOSVBQ-ZDUSSCGKSA-N 456.571 1.876 30 10 JDEE C#Cc1ccc(S(=O)(=O)NC[C@H](O)COc2ccc(I)cc2)cc1 1210038394 IFGHPGHFQBZLAW-HNNXBMFYSA-N 457.289 1.991 30 10 JDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 1274417005 DWURDXBREXJGBE-SFHVURJKSA-N 457.512 1.212 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1286310030 AMWNDNAOKLXYEL-QFIPXVFZSA-N 459.572 1.082 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1286349136 FBKFGJAFHMMSKP-RBUKOAKNSA-N 476.647 1.163 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1286387571 GNJCTYBOVZQCNK-DENIHFKCSA-N 455.540 1.249 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286390201 YNLHMWHOAJJWEF-ICSRJNTNSA-N 465.583 1.887 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286391236 DCUKMUTUUCPGFW-MOPGFXCFSA-N 466.604 1.590 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286391907 FPPJAEVBTGSRKE-FPOVZHCZSA-N 459.591 1.975 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1286398012 VVCMBGQKSDQXBJ-PGRDOPGGSA-N 476.624 1.660 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(=O)Nc2ccc(F)cc2)CC1 1286489893 HHDYADYIAQOUKV-UHFFFAOYSA-N 462.489 1.479 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CN(C)C(C)C)CC1 1286508580 IVCMYWSBCGCKFH-HXUWFJFHSA-N 498.719 1.534 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)N1CCN(c2ccccc2)CC1 1286516063 BZCYMEJGNNTSAE-YADARESESA-N 499.641 1.229 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1286789742 HKLPIHXKEOPCEP-UHFFFAOYSA-N 480.548 1.543 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(CC(=O)N3CCc4ccccc43)CC2)nnc1C(C)(C)C 1286793471 FTUJFZXBEWZXMD-UHFFFAOYSA-N 465.602 1.589 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1286816436 LAQJITFXAWHTLM-ZIAGYGMSSA-N 453.908 1.708 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1286818794 OHOOXBSCGSMCAP-UHFFFAOYSA-N 478.600 1.319 30 10 JDEE CC(C)N1CCO[C@@H](CN2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)N(C)C)CC2)C1 1288014409 DCLMVVSLZVDTAH-QFIPXVFZSA-N 480.617 1.136 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(CC4CC4)n3CCNC(=O)OC(C)(C)C)CC2)c1C#N 1290576150 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1.392 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCNS(C)(=O)=O)CC1 1705642223 LLZFZRIBDCBZSX-UHFFFAOYSA-N 474.631 1.459 30 10 JDEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705653554 KEWQNYJQXFCGFK-WBVHZDCISA-N 472.546 1.071 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705693479 HASLBEFLIHIRID-UYAOXDASSA-N 472.594 1.801 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OCC)CCOC1 1705710001 UJLIQHKJMXTLRC-NXWNEQKCSA-N 468.620 1.925 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](OC)C(F)(F)F 1705716427 KXBZGAMFJCEEIL-GJZGRUSLSA-N 469.530 1.981 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1705755858 ZGDZRJHWLPHMHZ-ZDUSSCGKSA-N 455.928 1.879 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(N3CCCC3)CCOCC2)CC1 1705781101 PLLVVLCPFQGKIV-GOSISDBHSA-N 466.652 1.936 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(O)cc2)CC1 1705819417 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1.753 30 10 JDEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCSC1 1722678575 CAZBYMNOAFSJLH-HXUWFJFHSA-N 452.602 1.855 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C(=O)COC)CC1 1722694283 QKMCARQUAGSTMP-UHFFFAOYSA-N 472.615 1.873 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722696471 OYTBDKOYWXEVLJ-AVRDEDQJSA-N 483.592 1.765 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(F)(F)C2(OC)CCOCC2)C1 1722717643 CSLYLTROSQASFZ-DLBZAZTESA-N 490.573 1.792 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1722726979 HOFLXMXOFPSUCJ-UHFFFAOYSA-N 479.628 1.879 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)nnc1C(C)(C)C 1722732460 ZJGCYEFJOLQNAA-MRXNPFEDSA-N 459.638 1.181 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)N(C)C)c1 1723778001 CODTZUNWPOGLCD-LPHOPBHVSA-N 458.588 1.863 30 10 JDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1)N(C)C 1723817919 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1740717277 NSXSDDIQXIPXFW-IRXDYDNUSA-N 455.650 1.850 30 10 JDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1740720836 OXBSGEHELGOWNW-IBGZPJMESA-N 462.645 1.738 30 10 JDEE C#CCSCCn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1740723106 PBAYZNADRSDMBD-VXKWHMMOSA-N 476.603 1.111 30 10 JDEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC)CCS(C)(=O)=O 1740739834 BRCWLGFOLVGFMK-UHFFFAOYSA-N 481.380 1.700 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCCO[C@@H](C)C2)CC1 1740839247 HXVBWZYGQOMRTB-PZJWPPBQSA-N 496.678 1.514 30 10 JDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1740946635 DTYYNCDNSKUYDR-QRVBRYPASA-N 464.636 1.183 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1740957488 PJMXKFAUEKQODJ-UHFFFAOYSA-N 477.569 1.486 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1740993166 UMZQMHVHKBBGKY-SFHVURJKSA-N 476.534 1.878 30 10 JDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(S(C)(=O)=O)CC1 1746888756 FVGAYSBFJRGLHF-INIZCTEOSA-N 461.544 1.562 30 10 JDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)Nc1cccc(Cl)c1C 1748771023 FEYRRJNSEUEFGY-AWEZNQCLSA-N 452.968 1.948 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1748991005 NYCYGMNKKGRPHB-RTBURBONSA-N 470.540 1.928 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H](C)N(C)C)CC1 1749003201 AWUXSFIICBEPPB-KRWDZBQOSA-N 484.601 1.887 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCc2cn[nH]c2)CC1 1749003700 SARWVAQPHWBZDO-UHFFFAOYSA-N 493.568 1.903 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1749426914 JOSWULQINJYFAL-SJLPKXTDSA-N 466.608 1.072 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N1CCCCCC1 1749487462 DULPCEOMNZFGTN-QGZVFWFLSA-N 454.597 1.026 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccn1C(F)F)C1CC1 1749518906 ANTLPKVDRIKBQE-CQSZACIVSA-N 457.507 1.406 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1749677919 OXJPUVPCUAWUQB-GOSISDBHSA-N 451.531 1.526 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1749721286 FSTZCICLIBFONL-UHFFFAOYSA-N 474.587 1.179 30 10 JDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1749760150 CUZWRYNEDJWXCN-UHFFFAOYSA-N 461.636 1.064 30 10 JDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760132969 SYZDYSJGQPKUGG-UHFFFAOYSA-N 484.582 1.673 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(C[S@@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1760184748 KZVPWYRPPUATFG-MQFAKOPTSA-N 483.619 1.894 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760190280 OWXMZCZMIZQDIS-ICSRJNTNSA-N 477.656 1.525 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC 1760219349 BXKFQNZOHMAFFV-SFHVURJKSA-N 479.603 1.484 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCOCC1 1760247816 QFSUMJBNSJMFEE-UHFFFAOYSA-N 465.558 1.000 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)n1 1760251912 HGMSTALZBMCTDV-RUZDIDTESA-N 474.569 1.366 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1760268415 JLTYCIZCGQRLPG-UXHICEINSA-N 499.566 1.776 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1760271667 GCHWINNTRRYELX-LJQANCHMSA-N 482.551 1.850 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1760281912 RSNZXDMTVUBAGY-ZWKOTPCHSA-N 451.662 1.857 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccccc2OC)CC1 1760556188 WTCOPKAEZSYINZ-FQEVSTJZSA-N 475.615 1.714 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)no2)CCO1 1760673514 GXPBALPTBBQHLZ-FQEVSTJZSA-N 451.487 1.415 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1765632865 CKMYCZYIABRKJP-UYAOXDASSA-N 451.575 1.890 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 1770738029 CASGZDVOIXWLFF-LAUBAEHRSA-N 458.519 1.996 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2c(OC)cccc2OC)CC1 1772566645 QHCBOZWOZRITKO-KRWDZBQOSA-N 484.557 1.596 30 10 JDEE COc1ccc(S(=O)(=O)CCC(=O)N[C@@H](CO)C(=O)Nc2ccc(C#N)cc2)cc1Cl 1866806852 CIXHEBHYCABLEW-KRWDZBQOSA-N 465.915 1.500 30 10 JDEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(=O)OCC)s2)c(=O)cc1CN(C)CCO 1870587404 PIKJOIMEWICWRW-UHFFFAOYSA-N 464.544 1.418 30 10 JDEE N#Cc1ccc(COc2cn(CCOCCO)c(CNc3ccc(S(N)(=O)=O)cc3)cc2=O)cc1 1871253917 MCFKUJSIIQQNTD-UHFFFAOYSA-N 498.561 1.567 30 10 JDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@@H](CO)N(C(=O)OC(C)(C)C)C[C@H]2C1 2220105262 JMSAMCHYBNVGQI-ZJPYXAASSA-N 451.564 1.979 30 10 JDEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2255537180 SNRHISHOQOOXHV-UHFFFAOYSA-N 453.370 1.590 30 10 JDEE CC(C)(C)OC(=O)NCc1nc(=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)s[nH]1 2255628130 DFLCLWFVPFPSHH-UHFFFAOYSA-N 450.330 1.259 30 10 JDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@@](C)(NC(=O)C(F)(F)F)C3)s2)OC1(C)C 2255941919 KTWADIASCKNACS-MRXNPFEDSA-N 468.328 1.879 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]2[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256638291 DFUMSEYOXADOBV-YNEHKIRRSA-N 450.370 1.843 30 10 JDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCOC[C@@]2(CO)CNC(=O)OC(C)(C)C)C1 2266521451 DQROIDLZPLIVNX-HESYMAFGSA-N 467.563 1.408 30 10 JDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)c1 2267011321 DCKLGHKMDNXSIF-AWEZNQCLSA-N 450.341 1.610 30 10 JDEE Cn1cc(C(=O)N[C@@H]2COCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267120289 IGCSSTOJYVSBBM-AWEZNQCLSA-N 450.345 1.085 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@H](CO)C1 2267279298 GSNPUMOIJMZERD-GJZGRUSLSA-N 450.341 1.927 30 10 JDEE CCC[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267348981 NMYKKFZXAKKKPR-ZDUSSCGKSA-N 473.405 1.086 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)n1 2267474123 PHVBCLKLWBLAHO-IAGOWNOFSA-N 458.393 1.128 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CO 2267487373 RABSGAZHYDILMS-HIFRSBDPSA-N 467.397 1.790 30 10 JDEE Cc1nn(C)c(C(=O)N[C@@H]2COCC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281981360 HCTTYSCNGDJCBV-HUUCEWRRSA-N 464.372 1.440 30 10 JDEE CCO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2281989079 VDFXZJIYRJHKEB-HOTGVXAUSA-N 464.372 1.853 30 10 JDEE Cc1c(C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281990982 UWAFDABSZNQQHP-ZDUSSCGKSA-N 458.290 1.558 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C1CC1 2282183887 LUYHUPMKOKEVFB-HUUCEWRRSA-N 461.372 1.632 30 10 JDEE C[C@H]1CC[C@@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN1C(=O)OC(C)(C)C 2282302985 PULFXQGDYSKRSQ-UONOGXRCSA-N 485.416 1.181 30 10 JDEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 2282530564 WEXGCVHDSIDWQP-UHFFFAOYSA-N 462.352 1.706 30 10 JDEE COCC1(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CN(C(=O)OC(C)(C)C)C1 2282533218 IOIDCVVTKOQCSM-UHFFFAOYSA-N 465.331 1.886 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282535895 VFWKMSVIFUOXFV-CVEARBPZSA-N 465.331 1.620 30 10 JDEE Cc1nn(C)c(C(=O)N2CC[C@H](NC(=O)C(F)(F)F)[C@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2282557423 VJSZQXLBTCLIJH-YPMHNXCESA-N 458.290 1.557 30 10 JDEE Cn1cc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCOCC2)c(B2OC(C)(C)C(C)(C)O2)n1 2282579094 ZZRBZWQTPSPIOF-UHFFFAOYSA-N 464.372 1.523 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2335407707 BHZQGTHTBSOLLQ-AWEZNQCLSA-N 469.369 1.257 30 10 JDEE COCCN(CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C(=O)OC(C)(C)C 2337291383 FUPRVMXRFXNYCY-UHFFFAOYSA-N 452.361 1.333 30 10 JDEE COc1ccc(Cl)cc1N1C(=O)C[C@H](N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O 15463285 IWVWAFFVEBVTPK-SFHVURJKSA-N 488.953 1.859 30 10 JDEE C=CCn1c(Cc2ccccc2)nnc1SCCCn1c(=O)c2c(ncn2C)n(C)c1=O 32787111 MKVABFPCFLCSIA-UHFFFAOYSA-N 451.556 1.984 30 10 JDEE CC(=O)O[C@@H]1[C@H](OS(=O)(=O)c2ccc(C)cc2)CO[C@]2(COC(C)(C)O2)[C@@H]1OC(C)=O 33752042 MJMXIHAIFBPIKU-MLYOOKFZSA-N 458.485 1.442 30 10 JDEE CN(C)CCCN1C(=O)C(=O)/C(=C(\O)c2ccc3c(c2)OCCO3)[C@@]12C(=O)N(C)c1ccccc12 102620386 GJGRJXGTYBVKML-RFJJORBGSA-N 477.517 1.962 30 10 JDEE Cc1ccc(S(=O)(=O)O[C@@H]2[C@H]3CO[C@@H](O3)[C@H](OS(=O)(=O)c3ccc(C)cc3)[C@@H]2O)cc1 107277465 NJSSICCENMLTKO-WAPOTWQKSA-N 470.521 1.267 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1C[C@@H]1CCCO1 603800406 XGUJAGNXTZFCOA-INIZCTEOSA-N 474.380 1.657 30 10 JDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCCN2CCCS2(=O)=O)c1 726076169 WBRIUYNZFDMHIT-FCDQGJHFSA-N 485.632 1.827 30 10 JDEE COc1ccc(C=NNc2nc(SCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n[nH]2)cc1OC 1084597803 TULHKLKSLHGUFW-UHFFFAOYSA-N 481.494 1.882 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCCN2CCOCC2)CC1 1286493669 WSGPWBIRQUNYOV-UHFFFAOYSA-N 480.613 1.854 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CCCO)CC1 1286548540 SZOSHKANVHYLAG-UHOSZYNNSA-N 455.625 1.858 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1286711211 JBOKTXRNRKIZQP-LJQANCHMSA-N 491.614 1.945 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1286788252 SPVRFFNTDUUWBX-KZNAEPCWSA-N 480.635 1.004 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCC(=O)N(C)C)C1 1286809790 VNOMZAZISFKBAV-QGZVFWFLSA-N 465.558 1.935 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1286818914 SNUYMZJIOXBIFN-UHFFFAOYSA-N 487.508 1.231 30 10 JDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1286822657 FLKAAKVYMGWHDV-UHFFFAOYSA-N 496.634 1.986 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC1CCOCC1 1288152879 GSTQYZQLWPAFFI-UHFFFAOYSA-N 452.563 1.826 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1297729251 FGFSUNUWMWOCNP-WZONZLPQSA-N 488.614 1.873 30 10 JDEE CN(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)c1c(F)cccc1F 1298018930 AGFVNZUXOXFHSF-CRAIPNDOSA-N 459.501 1.824 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1cc[nH]n1 1300329233 OQTNOHOPELJPOC-RDJZCZTQSA-N 456.551 1.961 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1300383619 CXJPSGVUONCXOX-GOSISDBHSA-N 488.614 1.202 30 10 JDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1300413283 RTHMRRASBWKFPZ-UHFFFAOYSA-N 471.612 1.953 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](SC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300479105 IHZDWKGNADCYQI-HZPDHXFCSA-N 455.650 1.821 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300483912 PKAYGPLJHZIYNT-QPPBQGQZSA-N 487.626 1.693 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1coc2ccccc12)[C@@H]1CCS(=O)(=O)C1 1300485464 WZZQARSGZGTYTI-DOTOQJQBSA-N 491.595 1.310 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1300486958 CKBBKBGJCVRNIY-HBIPHATFSA-N 455.005 1.994 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1300491945 JZTFQXXPJSVVJP-HNNXBMFYSA-N 490.536 1.864 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1300578747 OJDHEYITEHMVCJ-RPWUZVMVSA-N 495.649 1.934 30 10 JDEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1300746082 OILRFZILQQHGBK-AWEZNQCLSA-N 479.393 1.765 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1300877229 WWYKEWBOLZLKIF-OALUTQOASA-N 461.611 1.981 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1300893407 YRGUYGGLPIYGHX-BJLQDIEVSA-N 450.609 1.990 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1300973325 XZCVZBYEHRKIEG-GOSISDBHSA-N 452.519 1.620 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1301499630 CTWVCSUYFSZLIY-MRXNPFEDSA-N 498.650 1.564 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cnccn2)CC1 1301575844 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C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(OC)c(OC)c2)CC1 1359043651 CKAJOUOIMWHBTM-UHFFFAOYSA-N 477.569 1.904 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2(O)CC(OCC)C2)CC1 1359046411 QQVFGOISBSOBRU-UHFFFAOYSA-N 452.559 1.160 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1359049491 QJTMIISCAZPNDP-MSOLQXFVSA-N 490.655 1.744 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCOCC1 1359070958 YTYPNAGABSSTEY-GHTZIAJQSA-N 481.619 1.046 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1359299275 ASHFNKGPMVIINZ-IAGOWNOFSA-N 498.650 1.564 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1359309229 LKVFZORUPAJBJS-MJGOQNOKSA-N 452.559 1.992 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1359328026 QZAUERIIWGKEJG-LJQANCHMSA-N 486.598 1.740 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)C1CCC(NC(C)=O)CC1 1359334026 QVCYPKPEOFCNCK-UHFFFAOYSA-N 460.604 1.748 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30 10 JDEE C=CCOc1ccccc1Cn1c(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)nnc1C(C)(C)C 1595664720 JGKKGAZLHNDZHB-UHFFFAOYSA-N 494.600 1.655 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(=C)CC1 1595765359 ACBBJNCSBCEIKJ-UHFFFAOYSA-N 479.628 1.953 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NC(C)=O)CC1 1595812122 NSZMXBGAXVFATB-UHFFFAOYSA-N 471.587 1.222 30 10 JDEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1622029050 KLZWXNUAQPABGR-IBGZPJMESA-N 457.508 1.568 30 10 JDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cc1 1633428782 GIXCGCYFHVMPGJ-KRWDZBQOSA-N 450.879 1.551 30 10 JDEE C=CCOC[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1)C(=O)OC 1634058360 AJWZINFXSRCOGN-RBUKOAKNSA-N 452.529 1.293 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@](COC)(C(=O)OC(C)(C)C)C2)cc1 1642682913 MNBOMMKXJWEZMR-OAQYLSRUSA-N 454.545 1.350 30 10 JDEE C#CCNS(=O)(=O)N1CCN(CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)CC1 1653161040 UZVWETPVISRTRH-HSZRJFAPSA-N 452.580 1.246 30 10 JDEE C=C[C@H]1CCCCN1CC(=O)N(CCCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1658479456 MPMOHMQSEYPTFQ-IBGZPJMESA-N 455.559 1.989 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCn2ccnc2C)c1 1689873795 WXABAJYJPJCCCN-UHFFFAOYSA-N 460.542 1.662 30 10 JDEE C#CCCCn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1689941088 JGNDXIGNYFPBIM-MBSDFSHPSA-N 458.563 1.499 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1689982621 QWPYEDCWZPXFFF-GOSISDBHSA-N 457.556 1.107 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1689996790 OGIMFEUSCCTDJV-ZWKOTPCHSA-N 491.639 1.856 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1689997117 WDCAGZCMSJEVQV-TUNNFDKTSA-N 499.593 1.407 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCOc1ccc(S(C)(=O)=O)cc1 1690031436 KDBRIEXCFDBKIS-UHFFFAOYSA-N 492.561 1.871 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1690056591 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30 10 JDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cc2c(cc1Br)OCO2 1309086954 DJRYPRASVXEQAT-LBPRGKRZSA-N 452.348 1.683 30 10 JDEE C#CCN(C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)[C@H]1CCS(=O)(=O)C1 1310166025 GPHFXXUPMZBDAI-QMWCZEAPSA-N 452.558 1.154 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCCC2)CCO1 1315014219 BSULXYWZOJBZNB-LJQANCHMSA-N 454.531 1.375 30 10 JDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1358933914 IMCNEGQLXQOIGH-KRWDZBQOSA-N 456.572 1.511 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1358957986 FFAWHYBYRRYJHP-FQEVSTJZSA-N 464.555 1.205 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358965589 XNJFXXHDLUVMPZ-PXNSSMCTSA-N 492.671 1.229 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1358966382 NTJMFUNMYPVMGW-INIZCTEOSA-N 463.510 1.354 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1358968008 XLBSNVHBQDOSTK-KCXPTXFHSA-N 482.672 1.691 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1([S@](C)=O)CCC1 1359023250 FARNUHKFJBHRHP-YTTGMZPUSA-N 454.556 1.981 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1359133184 MTRQSPDPDXXQDP-RBUKOAKNSA-N 468.620 1.795 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CC=CCC1 1359133545 UMLIXQVGXZLTTK-MOPGFXCFSA-N 453.609 1.996 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CCOCC2)C1 1359227541 DNKLLURMCXBEPS-IBGZPJMESA-N 483.635 1.601 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCC(F)(F)F 1359297873 FRSWQHUDGJWDSG-UHFFFAOYSA-N 459.498 1.929 30 10 JDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1359300078 SURFWYDYUAWVQE-UHFFFAOYSA-N 455.538 1.748 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccccc1OC 1359301217 VCNKSLDPVDOHPX-FUHWJXTLSA-N 459.572 1.833 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN([C@@H](C)c3nccs3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359305808 NOJXQOJWEXAGAW-FDDCHVKYSA-N 489.646 1.961 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1359334207 XAHHAXMVPIUOLC-LJQANCHMSA-N 461.563 1.810 30 10 JDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](O)c1ccccc1Br 1451407222 ATRBAEYQCKLJOL-SJCJKPOMSA-N 452.330 1.837 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)ccc1F 1466737545 PXVSUHIWJLVDFF-GOEBONIOSA-N 452.508 1.779 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1507627255 DAGICNOZVYEWDC-KRWDZBQOSA-N 460.556 1.504 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507630648 DZLNIQVEFNEHIY-GOSISDBHSA-N 457.604 1.626 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCSCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1507637627 LONHXFXWTJKZQI-XHSDSOJGSA-N 496.577 1.924 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1507640615 UPIPJEZJTOYIOS-GOSISDBHSA-N 469.571 1.277 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1507660460 UPLIDZVEIVDYEY-JTHBVZDNSA-N 498.653 1.642 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCN(C)C(C)(C)C1 1507664108 GZQPXLRRPFVYHH-UHFFFAOYSA-N 472.601 1.410 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(C)C)nc1 1507688565 CGLNNQHRIJKZAI-SFHVURJKSA-N 462.576 1.301 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1507745369 BDNQEDJCMHIPLK-INIZCTEOSA-N 489.689 1.192 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnc(C(C)C)nc1 1507752396 ZTUXVGIFAFZAKJ-SFHVURJKSA-N 493.659 1.527 30 10 JDEE C#CCSCCn1c(N2CCN(C(=O)c3ccccc3O)CC2)nnc1[C@]1(OCC)CCOC1 1507758377 MQXZYCNRCOTCMC-DEOSSOPVSA-N 485.610 1.965 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1507759550 JNYFUGXYQFTGFJ-UNMCSNQZSA-N 490.674 1.503 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1508084982 RPXXESUDOJHTSU-UHFFFAOYSA-N 466.634 1.561 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1508107506 CXGRTHWXQPLZID-QGZVFWFLSA-N 462.576 1.154 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1508152884 TZGRQTOGDRFRBJ-INIZCTEOSA-N 496.634 1.909 30 10 JDEE CC[C@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C#N)C1)OC 1513493025 DSDRWBMWSOUZNG-YADHBBJMSA-N 453.591 1.797 30 10 JDEE CCO[C@]1(c2nnc(N3CCN(Cc4ccc(C#N)cc4)CC3)n2CC(=O)N(C)CC)CCOC1 1516216545 BUYFYDPGDBXLEU-RUZDIDTESA-N 481.601 1.602 30 10 JDEE C=C(C)C[C@H](NC(C)=O)C(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1522751487 UYQRRMGGBNAUHW-SFHVURJKSA-N 453.561 1.444 30 10 JDEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539081611 DCJSFWXRTOFLQY-UHFFFAOYSA-N 470.549 1.973 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1539120737 ZJQTYXFCZCFSRJ-FQEVSTJZSA-N 462.664 1.588 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1539224034 CBNPMNVAEFHOMC-KNQAVFIVSA-N 471.608 1.860 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1539231208 UAFZHCUWTFRPQY-KSZLIROESA-N 491.639 1.711 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1539238705 BJEVRCMFCLKDGC-IAGOWNOFSA-N 467.555 1.815 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)Nc2cccc(Cl)c2C)CC1 1539445834 HYCRDKLHISMSPI-LJQANCHMSA-N 469.977 1.975 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1539828013 CSZUBBMDMWQUOG-KURKYZTESA-N 454.641 1.933 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1540900578 AKKRBXSOVCBRCO-QGZVFWFLSA-N 456.576 1.769 30 10 JDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)C1 1541030640 FFROTJXBVKESGY-YADHBBJMSA-N 451.575 1.768 30 10 JDEE C[C@@H](CC(=O)NCc1cccc(CN2CCOCC2)c1)/N=C1/NS(=O)(=O)c2ccccc21 1544512997 AOYQWULQJCOOOQ-KRWDZBQOSA-N 456.568 1.652 30 10 JDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1587759502 VPEYRKRHWQGUQW-NJYVYQBISA-N 469.634 1.659 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(NC(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1588049219 CHLKIBOIXMTBOB-LJQANCHMSA-N 479.566 1.814 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1588064248 DTXGVPDVNPTRIR-FGZHOGPDSA-N 477.675 1.994 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1588064404 HQHZKBNHXCSBPL-XXBNENTESA-N 460.600 1.860 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1588070271 XVCROULOGQENDW-GOSISDBHSA-N 489.989 1.819 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(CC(C)C)C1 1589215667 CQAXSDAXJLOIGI-YZUZCNPQSA-N 492.690 1.971 30 10 JDEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(=O)NCCOC)CC1 1593616531 XQQDYSZBRQGVOH-UHFFFAOYSA-N 451.575 1.898 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](COC)C1 1595805406 OSIJFLIKJWYLGV-APWZRJJASA-N 464.544 1.243 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1595830815 HRJZCLZIKOSHSY-XUVXKRRUSA-N 476.647 1.974 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccc(Br)cc3)C2)C1=O 1598198492 ZBPOHLZZZKUIDY-LSDHHAIUSA-N 478.299 1.141 30 10 JDEE C[C@H]1CN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)C[C@@H](C)O1 1612989140 DEPZHNWFAUBDPF-KSZLIROESA-N 467.640 1.518 30 10 JDEE C[C@@H]1OCC[C@@]1(O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C#N)C1 1613028198 HLWWQWHDPWZZFH-PRCFCKQXSA-N 476.578 1.661 30 10 JDEE C=CCOC[C@H](NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O)C(=O)OC 1635159167 UMRIKOQZHQCIKN-HNNXBMFYSA-N 453.289 1.686 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2CN2CCN(C(C)=O)CC2)c1 1638789043 IALXHHGDOVQQIB-UHFFFAOYSA-N 454.552 1.515 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCCS1(=O)=O 1689847967 MHPZJPVNHOSZSG-QGZVFWFLSA-N 483.598 1.729 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CCS(=O)(=O)NC)c1 1689872057 NIMHIJWFQDHGNU-UHFFFAOYSA-N 487.611 1.239 30 10 JDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)CN1CCN(CC)CC1 1689963958 BKDZAFSXJAQZNR-OAQYLSRUSA-N 465.650 1.795 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1689990996 UHHHMVACNCCRPY-BRWVUGGUSA-N 456.659 1.647 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCOC[C@H]1C 1690000353 ZPNFIDNPZBOYNH-GOSISDBHSA-N 454.962 1.655 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1c(C)noc1C 1690019125 BEMCLMAAHPIKHN-CRAIPNDOSA-N 460.560 1.092 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1690142874 WKTVTXWQBVXULX-PMACEKPBSA-N 465.602 1.805 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C(N)=O)c1 1690265413 OFDNAMAUAHADPD-LJQANCHMSA-N 476.603 1.355 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC1 1690572283 YBBOJVQGWKOJCO-YLJYHZDGSA-N 479.578 1.979 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(O)CCS(=O)(=O)CC1 1690623951 AOFROORJVBEHCK-QZTJIDSGSA-N 470.636 1.775 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2cccnn2)CC1 1690632908 XNWBNAHBATXPFE-UHFFFAOYSA-N 454.560 1.498 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1690697431 VFIKNROIYXAADG-JKSUJKDBSA-N 462.551 1.304 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1690717575 JXBOTZZZOGWVII-INIZCTEOSA-N 478.571 1.953 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(F)cc(F)cc2C1 1690724355 MZOGAKXCVMHURY-AWEZNQCLSA-N 486.566 1.622 30 10 JDEE CC(C)(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1691201894 DIQHYPQENHTMEI-QHCPKHFHSA-N 488.614 1.199 30 10 JDEE CCN1CCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1695850735 BYQVGEUBPDGNAO-NRFANRHFSA-N 481.601 1.898 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1705480803 YETQNMKUPMIUQS-XDHUDOTRSA-N 468.558 1.040 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1705564611 DARVLJDCGBBRFT-MSOLQXFVSA-N 479.603 1.276 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1705566954 SELBLRIXQBLDOB-NHCUHLMSSA-N 468.583 1.563 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705568486 OJMTZYRGDWLPDY-SJORKVTESA-N 469.608 1.745 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705568684 SQXBWMBYLSYFQH-WOJBJXKFSA-N 490.674 1.538 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705571148 WHCUQMSVCSFCIK-MSOLQXFVSA-N 493.580 1.495 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCc1nnc2n1CCCCC2)[C@@H]1CCS(=O)(=O)C1 1705571215 WWZDWVCLNOXFJO-GOSISDBHSA-N 459.620 1.664 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCN(CC)CC1 1705593396 QBSSMPNQGHFWIY-UHFFFAOYSA-N 472.601 1.411 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1NC(=O)CC1(C)C 1705607175 SWLBFHMHZCBMKP-GOSISDBHSA-N 458.588 1.570 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1705651208 NRXZOPQVAMDSER-NFBKMPQASA-N 497.596 1.883 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1705693589 IHEUCOMJPPRFCY-BQJUDKOJSA-N 488.633 1.863 30 10 JDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705734824 ZDSQEICOPWINPU-UHFFFAOYSA-N 483.617 1.817 30 10 JDEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705831035 DVCKQLYJCTULQA-UHFFFAOYSA-N 494.600 1.283 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C 1705867978 YWPMFBPJOIBWES-FGZHOGPDSA-N 477.613 1.791 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCCC1(C)C 1705876318 UWQSUMKVDCUBDW-LAUBAEHRSA-N 453.609 1.731 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cc(F)ccc2F)CC1 1705908907 JAUHBSIEAZNTQL-KKSFZXQISA-N 476.528 1.909 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1705935840 FCOAPYGDZOYTIH-IBGZPJMESA-N 480.635 1.848 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705936973 DHHQPJGTNDUDMA-HXUWFJFHSA-N 457.600 1.865 30 10 JDEE CC(C)C(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1706243518 BIPURBVBTGSXET-OAQYLSRUSA-N 451.575 1.748 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1722332932 QDWPFFBFCPHJKF-JOCHJYFZSA-N 497.625 1.218 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1722367048 UNLRLGWAHHWXLU-HXUWFJFHSA-N 453.572 1.486 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](C)Oc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1722372417 WEPNRSJPCDIVRK-WOJBJXKFSA-N 485.610 1.803 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1722372526 YOLSMXYRKIATRD-FQEVSTJZSA-N 468.583 1.997 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CCS(=O)(=O)NC 1722390590 UHPSQLSRSMYFEC-UHFFFAOYSA-N 468.352 1.859 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)cc2OC)CC1 1722431188 GVLGKBSUWQANFC-OAHLLOKOSA-N 466.995 1.354 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2csc(CC)n2)CC1 1722444730 NATXLBVBRQGTJB-OAHLLOKOSA-N 493.659 1.116 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722702992 UJUUFEDKQSYOMD-HSZRJFAPSA-N 473.599 1.791 30 10 JDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(c2nc(-c3ccccn3)no2)CC1 1722705835 INCRIEVDIOZZDG-UHFFFAOYSA-N 452.519 1.946 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2CCS(=O)(=O)CC2)C1 1722710926 QGZXDKVBGMODOL-WIYYLYMNSA-N 454.593 1.536 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1722728021 SQCPJMAOOKHFSB-IBGZPJMESA-N 472.615 1.773 30 10 JDEE CC(C)[C@@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1723942134 BRYACADEIYORJH-JPYJTQIMSA-N 489.646 1.884 30 10 JDEE COc1ncccc1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1730345631 CODNSIPWZLLCDL-GOSISDBHSA-N 483.554 1.376 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCC(O)CC2)cc1 1740533080 OMXFMKOVIVFPAT-MSOLQXFVSA-N 474.631 1.351 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1740615930 OBSQQCWYFHDRBA-AZUAARDMSA-N 498.609 1.096 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCCN1C1CC1)[C@H]1CCS(=O)(=O)C1 1740616225 WHQAOSCTELUTTI-SFTDATJTSA-N 490.674 1.840 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1740620809 RQCWRZGAKNNRCN-GOSISDBHSA-N 484.582 1.679 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1740627315 ZSYURRQEZQUVRF-IRLDBZIGSA-N 487.601 1.893 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1740692013 FUYGYCZKQVYGIL-NRFANRHFSA-N 451.619 1.735 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCCn2cnnn2)CC1 1740707278 WRAFEYPQSUJDIC-UHFFFAOYSA-N 451.510 1.051 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1740947225 UFGDBSGAZIBEKB-LJQANCHMSA-N 492.577 1.289 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)=O)CC1 1740953679 NSEVRMUZDDHHES-UHFFFAOYSA-N 450.341 1.017 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1740960517 UEUNTBJGCWYLPY-HXUWFJFHSA-N 482.585 1.374 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(Cc3ccsc3)CC2)nnc1[C@]1(OCC)CCOC1 1740964783 IGLPPURZGZIUEE-QFIPXVFZSA-N 460.604 1.616 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](COCC)C1 1740990306 QBHBVKKRDZNCPX-KRWDZBQOSA-N 486.598 1.656 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1740992544 IROIEIHNKKBKKO-GOSISDBHSA-N 455.588 1.667 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nnc(C)s2)c1 1748692493 XRUXLLBADMXVOM-ZDUSSCGKSA-N 488.599 1.153 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CCOC)CCC1)[C@H]1CCS(=O)(=O)C1 1748817460 KYKQVUJFJLYVKJ-ROUUACIJSA-N 484.644 1.014 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(C[S@@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1748819481 PEJCVMSPNBREQD-ULKXQASOSA-N 497.646 1.817 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1748820559 DSZCLSQUTSDCIO-SFHVURJKSA-N 476.518 1.868 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@H]1COCCO1 1748963155 ZGKPJVVESLUYSZ-FQEVSTJZSA-N 455.563 1.344 30 10 JDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCN2CCN(C(C)=O)CC2)CC1 1748994163 BMKCQXMNTZSZHH-UHFFFAOYSA-N 463.630 1.373 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(OCC)c2)CC1 1749010334 QGXSWNJRDHKFHK-HXUWFJFHSA-N 450.543 1.642 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C)n(C)c2=O)CC1 1749017093 VPUXAYJNDXZNMR-UHFFFAOYSA-N 459.554 1.285 30 10 JDEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCNC(=O)[C@H]1CC 1749022503 BVVFXHCGVCLQJZ-MRXNPFEDSA-N 475.644 1.628 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CCCCC2)CC1 1749023185 PXQGBMGLSDLRBH-GOSISDBHSA-N 468.693 1.957 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCCC2)C1 1749119742 WCSMFKYPMPSQIY-WTGUMLROSA-N 466.652 1.934 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(C)on2)CC1 1749229953 RNNCVLWZYSXHSD-GOSISDBHSA-N 464.592 1.392 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)C(=O)C1 1749403044 VMQPGNRVIMFCND-GOSISDBHSA-N 468.624 1.272 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN2C(=O)NC[C@H]2C1 1749655452 LFQZYDOSRYQYPR-ZDUSSCGKSA-N 478.326 1.363 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1749733744 BFALPSQTYWEFTH-INIZCTEOSA-N 467.542 1.988 30 10 JDEE Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)c(=O)n1C 1751515820 GIGWWBCVALSRQB-UHFFFAOYSA-N 474.569 1.082 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CC=CCO2)c1 1760124852 BXZIJMUSOZSFOR-APWZRJJASA-N 472.571 1.290 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1760191456 HRUXQUQZCAPWBL-AZUAARDMSA-N 475.590 1.965 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1760191965 ONIOXGRDFVJCDC-JKSUJKDBSA-N 479.653 1.792 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSc2ccccc21 1760205416 AXAZIWBFMMLZKG-MJGOQNOKSA-N 471.608 1.573 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCn1cc(CO)nn1 1760241264 USAQGOKUURVLCA-LJQANCHMSA-N 452.494 1.182 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccn(-c2ccc(F)cc2)n1 1760249359 KEWRQWUZDZKKCQ-SFHVURJKSA-N 486.573 1.834 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(N3CCC(CO)CC3)cc2)CC1 1760265599 FOQUXSHZMPIOAT-UHFFFAOYSA-N 450.587 1.809 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1760320737 XJUIGGLNMDAFRC-IRLDBZIGSA-N 453.591 1.968 30 10 JDEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1760342945 ZXZNHFKXMQQHAQ-UHFFFAOYSA-N 456.938 1.641 30 10 JDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1760366648 FWNHXFNHHPXMIE-OAHLLOKOSA-N 452.968 1.802 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1760428331 UCSUEADCJBCGHF-LJQANCHMSA-N 472.615 1.962 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1760464714 NGCQESWAYGTRGP-LNLFQRSKSA-N 498.650 1.907 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1760521321 PUSBGEZPNGCQPK-DLBZAZTESA-N 476.484 1.711 30 10 JDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1760564466 ABLOTUABKILPQO-QGZVFWFLSA-N 457.604 1.912 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@H](N3CCOCC3)C(F)(F)F)CC2)c1C#N 1762399801 CTVGKIWXXFSHJG-KRWDZBQOSA-N 467.500 1.090 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OC)nc2)C1 1767252252 HFQRNBZNPWTJMB-IBGZPJMESA-N 467.555 1.787 30 10 JDEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1767733310 BYIJVCHXJWMHRL-UHFFFAOYSA-N 451.531 1.028 30 10 JDEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)C1 1769170925 FSDTYNZNUIKAKX-VWLOTQADSA-N 481.601 1.802 30 10 JDEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCC2)C1 1770352396 AXNRELAXLQYDMD-IBGZPJMESA-N 488.614 1.799 30 10 JDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CCO1 1770959956 BCKAYMPAYLBJJK-FQEVSTJZSA-N 457.531 1.512 30 10 JDEE CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@@H](NS(=O)(=O)c4ccccc4C#N)C3)ccc21 1858329330 GKGHYHUTHUAWOG-GOSISDBHSA-N 474.564 1.209 30 10 JDEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2C(=O)O)c1 1862559429 NUODSWNRKFOHMD-HXUWFJFHSA-N 451.479 1.878 30 10 JDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(N(CC)CC)cc1 1865728867 JMZPXUGFGWZRPI-LJQANCHMSA-N 479.581 1.825 30 10 JDEE N#Cc1ccc(NC(=O)CNC(=O)c2ccc(N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cc2)cc1 1868146633 KBHSZODSRDVUDQ-JOCHJYFZSA-N 481.578 1.236 30 10 JDEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873560571 DPASQYCOOFBWDW-UHFFFAOYSA-N 480.569 1.379 30 10 JDEE CC1(C)OB(c2ccc(CN3C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C3)cc2)OC1(C)C 2162870659 XNVSFZRKVQTKQK-ZBFHGGJFSA-N 455.286 1.340 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=[S@@](C)(=O)CCNC(=O)OC(C)(C)C)n1 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HKBFCCGUQVKALK-SFHVURJKSA-N 461.975 1.751 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1722361745 OXCHHIJDXUJYOK-CTNGQTDRSA-N 473.647 1.673 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1722366051 QQSFRZIABUJJEP-UGKGYDQZSA-N 459.572 1.195 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1722366888 SQUTYNTVYLWGAZ-GHTZIAJQSA-N 479.697 1.994 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1722368443 RRCPOBUUQALRGF-LAUBAEHRSA-N 453.678 1.931 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(C)cc1OCCOC)[C@H]1CCS(=O)(=O)C1 1722368719 VGIFSVQXRFCISH-SFTDATJTSA-N 488.610 1.791 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)N1CCSCC1 1722378211 NHVQOGZTPDOLBR-UHFFFAOYSA-N 487.607 1.168 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC1(NC(=O)OC(C)(C)C)COC1 1722381653 FFEYKDJXEDLZRY-UHFFFAOYSA-N 475.553 1.883 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCC[C@@H]1CO 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C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1740619229 MTNDEWXPISQJBX-KRWDZBQOSA-N 462.572 1.750 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1740625692 PBCMEYMTPYFLJX-IBGZPJMESA-N 476.574 1.566 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(N2CCOCC2)CCSC1 1740660815 FBHYSVDLPVBNPH-HFMPRLQTSA-N 473.643 1.673 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC(F)(F)CO2)n1 1740688260 SPWVRSMWPBODEY-SFHVURJKSA-N 477.516 1.421 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCOCCS(C)(=O)=O 1740729247 BOUUWAMWNCRFOZ-XMMPIXPASA-N 498.609 1.728 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(CC)CCS(C)(=O)=O 1740764717 YDDPJELIRMSRAC-QUCCMNQESA-N 450.609 1.992 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCOC1 1740969900 XLIMXXJXVGEWRS-RXVVDRJESA-N 491.614 1.697 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1740983192 DBKGNDUTAZNKIW-FQEVSTJZSA-N 476.599 1.887 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1740993314 XGWBWJPDHOEDMY-UHFFFAOYSA-N 467.599 1.888 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1748736346 ZDQMKKNCLKCXHH-IBGZPJMESA-N 499.597 1.082 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCCN1CCOCC1 1748946719 PLFMTKKAKNFDGF-UHFFFAOYSA-N 454.550 1.902 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2nc(C)no2)CC1 1749037454 FBOFXVBYZUMDHA-INIZCTEOSA-N 450.590 1.622 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1749037755 IAWSMLVIMKIDNP-SQNIBIBYSA-N 455.650 1.992 30 10 JDEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749090193 KSDYUCHTMUYWRK-UHFFFAOYSA-N 489.374 1.790 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1749114454 CLVNXBNOROHJND-PMPSAXMXSA-N 472.512 1.902 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCCOC)CC1 1749127062 JECRNQXSQQWCNF-ICSRJNTNSA-N 455.563 1.695 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1749176012 WIJWWTOJJIIJTO-QGZVFWFLSA-N 467.617 1.785 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1749458240 XIATWNFRCCGGBB-KRWDZBQOSA-N 482.676 1.776 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1749677787 KRSGQRJIKKIKCW-HSZRJFAPSA-N 484.557 1.809 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(S(=O)(=O)c3ccccc3C)CC2)nnc1C(C)(C)C 1749682310 RGWUDKPAVMFUSL-UHFFFAOYSA-N 460.604 1.697 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCN1CCOCC1 1749734288 IIRJDVVYIIALHU-HXUWFJFHSA-N 477.587 1.160 30 10 JDEE CC(C)N(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1750884484 DYFPXFOKPWCERG-FQEVSTJZSA-N 475.619 1.459 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@H]2CC(=O)N(CCOC)C2)c1 1760126272 SPGOFNZBVILUHS-FQEVSTJZSA-N 489.580 1.835 30 10 JDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(=O)NC)C1 1760154885 KYMACDCVHOUSJC-HXOBKFHXSA-N 460.579 1.962 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1COC 1760219791 NQUWHNIUMDHKDF-NRFANRHFSA-N 471.583 1.269 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2csc([C@@H](C)OC)n2)CC1 1760255895 BODAQPMSLUJWLL-VGSWGCGISA-N 460.604 1.898 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C)N2CCOCC2)CC1 1760268861 YRIFYTBDHBJBHR-LJQANCHMSA-N 466.586 1.640 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)(C)C)C1 1760282186 XIGHKQYQUNMWBT-IRXDYDNUSA-N 471.649 1.229 30 10 JDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1760347558 KFGCBTYECSAEHL-UHFFFAOYSA-N 484.586 1.903 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)c2ccco2)C1 1760535833 XWXTYBACYKZJIA-INIZCTEOSA-N 451.487 1.730 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCN1CCOCC1 1760550569 BMIOPCGUDGHCMI-UHFFFAOYSA-N 487.424 1.405 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N(C)C(C)=O)CC1 1760550880 MPCUHNCEBKVJFI-UHFFFAOYSA-N 476.559 1.901 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1760552671 XFUIKKQUKZKRQV-UHFFFAOYSA-N 477.660 1.888 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1760554532 GMNHLNJVUCZMJZ-VQTJNVASSA-N 494.639 1.577 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C#N)C1 1760555293 BNUWIIIRGQUFCJ-GOSISDBHSA-N 494.618 1.722 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)OC)CC1 1760557542 OSWLUFNAFDLINN-UHFFFAOYSA-N 450.565 1.130 30 10 JDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)CC1 1760564133 QDPUTNLVDUDKKB-UHFFFAOYSA-N 469.571 2.000 30 10 JDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760566841 HDXAMPQKFHZMTG-HXUWFJFHSA-N 455.632 1.926 30 10 JDEE C[C@@H]1OCC[C@@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCS(=O)(=O)N(C)C)CCO2 1763278837 GZVZYSAKSVPXSY-HRAATJIYSA-N 460.560 1.092 30 10 JDEE CN(C)C(=O)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1766853391 HIELQHVFIZYYRJ-UHFFFAOYSA-N 488.556 1.387 30 10 JDEE N#CCC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)N2CCOCC2)CC1 1770754462 GNMWTRWJMVNPPT-UHFFFAOYSA-N 457.560 1.258 30 10 JDEE O=C(NCCN1CCOCC1)[C@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869932237 XYKRUYJSJWYHAY-FQEVSTJZSA-N 488.635 1.476 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)NCCCCCO)nc1C 1872648943 BJGUPOJMJBSTPE-UHFFFAOYSA-N 467.504 1.016 30 10 JDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(c3ccc4nncn4n3)CC2)[C@@H]1c1ccc(C#N)cc1 1890055929 PBCPMQCEZBCRNP-GOTSBHOMSA-N 490.593 1.738 30 10 JDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@H]3CSc4nccc(=O)n4C3)CC2)CC1 1890656367 GDAACQOYCMOFNJ-HXUWFJFHSA-N 473.643 1.002 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)[C@H](S(C)(=O)=O)C1 2255653250 GKVUGRLIHSUFFP-UONOGXRCSA-N 458.386 1.762 30 10 JDEE CC(C)(C)OC(=O)NC1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CC(O)C1 2256678678 PULUONKWUBEZBH-UHFFFAOYSA-N 453.370 1.477 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2260816194 KHUPSAQCMFZQRK-XVJNWHFHSA-N 458.386 1.714 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H](F)CN(C(=O)OC(C)(C)C)C2)n1 2267188726 QAJRYROYQSKUQI-KBPBESRZSA-N 452.336 1.797 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267221452 VYOVVARWECGKGY-SOUVJXGZSA-N 468.381 1.118 30 10 JDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@H]2C[C@@H]21 2267378606 NAEJYTIQFDOFPJ-IRXDYDNUSA-N 465.381 1.763 30 10 JDEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267463155 ZAICIGFAKRVKMC-HUUCEWRRSA-N 466.413 1.800 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2267498635 VMSDIVXXBGYSKL-CQSZACIVSA-N 450.345 1.085 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 2267706220 TVJGALBNNYGKJM-NRFANRHFSA-N 461.397 1.057 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268715470 IOLVFAJKUXIGPK-JTQLQIEISA-N 482.397 1.185 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@@]12CCOC2 2281926638 PKPKFFHXXQNLCV-JLCFBVMHSA-N 462.356 1.607 30 10 JDEE C[C@@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C(C)(C)CN1C(=O)OC(C)(C)C 2281953207 HRDWGTHRBSUQAB-CQSZACIVSA-N 463.388 1.974 30 10 JDEE CC(C)(C)OC(=O)N1CCN(CCCNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2281985743 NTLFBQUFJPAZGJ-UHFFFAOYSA-N 463.388 1.382 30 10 JDEE CC1(C)OB(c2cc(C(=O)N3CC[C@@H]4OCCN(Cc5ccccc5)[C@@H]4C3)[nH]n2)OC1(C)C 2281992150 KJXGVUMYZNPQFY-UXHICEINSA-N 452.364 1.824 30 10 JDEE COCC1(CNC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2282039751 ZNKFEVNNKAXZKM-UHFFFAOYSA-N 464.372 1.333 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC[C@@H]1CO 2282174937 SPCLJCQWKHPKFX-QAPCUYQASA-N 461.368 1.729 30 10 JDEE CC1(C)OB(c2cncc(S(=O)(=O)NC[C@@]3(O)CCN(Cc4ccccc4)C3)c2)OC1(C)C 2282345971 KMKCAOUWLWLGHM-QHCPKHFHSA-N 473.404 1.296 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC2(CCN(C(=O)OC(C)(C)C)C2)C1 2282350128 JCTVTWPBLVNAMD-UHFFFAOYSA-N 482.412 1.351 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 2282483657 AVZUUVPSPOOAIF-XHSDSOJGSA-N 460.384 1.952 30 10 JDEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282489466 DLADKGUNVGPPSE-HKUYNNGSSA-N 474.436 1.766 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCCN(C(=O)OC(C)(C)C)CCC2)n1 2282493035 URWCCNKFCUGDOB-UHFFFAOYSA-N 484.428 1.741 30 10 JDEE CC(C)(C)OC(=O)NCCN(CCO)S(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282497037 KWYIGXVIJGSXGH-UHFFFAOYSA-N 484.424 1.635 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@H]32)n1 2282504954 WQYUIVXBWGKXBW-HZPDHXFCSA-N 482.412 1.492 30 10 JDEE Cn1ncc(C(=O)N2CCO[C@@H](CCNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282559861 LCDSRVZVQIGKLB-HNNXBMFYSA-N 464.372 1.475 30 10 JDEE COC1(CCNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2282629582 XQDUFURNRVTDNN-UHFFFAOYSA-N 462.356 1.532 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]2CC[C@H]21 2282654241 JAZMWYVLOYMGAK-ZNMIVQPWSA-N 461.372 1.632 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 2282697709 UOAOKOWROOEETB-GASCZTMLSA-N 463.388 1.928 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2282844517 FDKKZAZVMUYPBR-DLBZAZTESA-N 482.408 1.634 30 10 JDEE C[C@H]1CN(Cc2ccccc2)C[C@H]1CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282848655 QHEMPGGXAFCNHN-PKOBYXMFSA-N 474.436 1.766 30 10 JDEE CC1(C)OB(c2nccnc2C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)OC1(C)C 2312904521 CIUJLDRHAKWPHU-OKZBNKHCSA-N 464.331 1.915 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 2337201273 SRIXJQNUXJIAGN-AWEZNQCLSA-N 450.345 1.085 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N 2364734300 NTYURINVAFESJD-OTWHNJEPSA-N 459.352 1.610 30 10 JDEE CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2369312245 DOGXRKISNWZNRA-KRWDZBQOSA-N 460.384 1.943 30 10 JDEE COC(=O)c1ccc(/C=N/Nc2nc(SCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n[nH]2)cc1 20905955 MAKQHXBZJWJEIN-LSFURLLWSA-N 479.478 1.652 30 10 JDEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3cccc(OC)c3O)n2N)c(OC)c1 21318971 SXAPABADQSUCPH-LSHDLFTRSA-N 473.515 1.900 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1 33233829 HVYVFFZECIQHDW-UHFFFAOYSA-N 486.997 1.326 30 10 JDEE O=C1/C(=C\c2ccc3c(c2)OCO3)Oc2cc(OCC(=O)N3C[C@@H](O)C[C@H]3C(=O)O)ccc21 33491515 ITCPJXVUXQJWLA-UDUSYFQVSA-N 453.403 1.457 30 10 JDEE Cc1ccccc1NC(=S)N/N=C1\C(=O)N(C)c2ccc(S(=O)(=O)N3CCOCC3)cc21 102765217 KYVFAVBWTRKASM-NMWGTECJSA-N 473.580 1.683 30 10 JDEE C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)CO[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]1CCC1=CCOC1=O 575338816 YGCYRQKJYWQXHG-GMWSJNDWSA-N 480.598 1.845 30 10 JDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C)c(F)c1 729670064 HZSPXDTZSQSVMQ-UHFFFAOYSA-N 491.548 1.650 30 10 JDEE Cc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnn4ccccc34)c2=O)cc1F 729670434 RWSAASQRMMIFQZ-UHFFFAOYSA-N 459.506 1.776 30 10 JDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)CC1 917866016 HXKJKOBCDCXLCZ-UHFFFAOYSA-N 493.607 1.371 30 10 JDEE C#C[C@@]1(O[C@@H]2O[C@H](O)[C@@H](O)[C@H](O)[C@@H]2O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@H]4[C@@H]3C(=C)C[C@]21CC 1085211907 GXASPCBPKBXVDN-ZRQDRVKTSA-N 472.578 1.830 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCCc4c3cnn4CCO)CC2)cc1 1138017355 HMYIXTRVDUHNTB-FQEVSTJZSA-N 457.556 1.342 30 10 JDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCN(CC[S@@](C)=O)CC2)cc1 1167683802 BSVGJDDONJCBSJ-JGCGQSQUSA-N 457.600 1.909 30 10 JDEE C#CC1(O)CN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCCC4)ccc3n2CCCC)C1 1179978599 OCJDMWSOHBFBBJ-UHFFFAOYSA-N 458.584 1.760 30 10 JDEE CN(C)[C@@H](CNC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 1192079725 DTXIHNFDUKLCRG-QFIPXVFZSA-N 455.584 1.284 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCc3c(cccc3S(N)(=O)=O)C2)cc1Br 1213498375 AEUZXDJFKCQHIA-UHFFFAOYSA-N 456.343 1.715 30 10 JDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286347492 ODPQRNCHRZJQKS-OAHLLOKOSA-N 450.590 1.275 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1286349043 CZXMRQAAYWZPOX-JOCHJYFZSA-N 497.625 1.906 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Br)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1286386615 DVGYZUDQGZXPJR-OAHLLOKOSA-N 492.399 1.637 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286392413 GXCDYWUCKUOUQN-LJQANCHMSA-N 492.001 1.008 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1286393225 PWSDLVZVGUITSU-INIZCTEOSA-N 462.626 1.960 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286395080 QRTNKNMTTVYXAX-SFHLNBCPSA-N 457.600 1.934 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCN2CCSCC2)CC1 1286473401 LMHVKRUCRMRTEY-UHFFFAOYSA-N 486.642 1.775 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCCn2cc(CO)nn2)CC1 1286491281 LPFQSGSIVUKKCG-UHFFFAOYSA-N 480.548 1.148 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCC)C1 1286554123 GPMZGXVHPYGIHB-WTGUMLROSA-N 483.635 1.598 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ncnn2C(C)(C)C)CC1 1286663685 OTRJMCPIUFCSIQ-QGZVFWFLSA-N 478.623 1.408 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(S(C)(=O)=O)CCCC1 1286758602 RZAWCPLNRZDLQR-QGZVFWFLSA-N 487.648 1.147 30 10 JDEE C=CCn1c([C@H](C)OCCOC)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1286770843 KXGSXYKUWQFODD-YVSFHVDLSA-N 485.607 1.315 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1286779798 MRKXFLLHGVARNB-SJORKVTESA-N 484.557 1.521 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1286817962 RKNHRNMHPNNSPS-INIZCTEOSA-N 477.562 1.969 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1300410240 MHENIWUBIBQPIT-ROUUACIJSA-N 496.634 1.518 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)cc1F)[C@H]1CCS(=O)(=O)C1 1300479369 MQXQUQHRLSOTNP-KRWDZBQOSA-N 475.546 1.337 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(F)(F)C1(OC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300488958 XXGPOLFMKZIUQG-MRXNPFEDSA-N 483.541 1.731 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1300499423 ROJQOSWSQZXHSQ-LJQANCHMSA-N 459.572 1.030 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(CS(C)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 1300500756 CWWUSVLJKOMOBE-FQEVSTJZSA-N 476.624 1.450 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OC 1300671778 PESJCGZJGXIVAG-HXUWFJFHSA-N 477.587 1.062 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@@H](C)C1 1300806033 OUXKAXPDEFJODO-TWFHAPMSSA-N 451.593 1.418 30 10 JDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1300983804 PWIRVLMACSMQTK-KRWDZBQOSA-N 451.535 1.725 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1301474581 BKNROFPZYJANBN-QGZVFWFLSA-N 453.547 1.208 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1301490626 WVBQRXKIPXPPLR-CQSZACIVSA-N 470.958 1.558 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C(N)=O)C1 1301500531 NFHPAVRMSHPPAT-MRXNPFEDSA-N 461.567 1.006 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1301510654 ZLFGXJAOFCGXMT-KRWDZBQOSA-N 487.630 1.261 30 10 JDEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)N(C)C)C[C@H]2C)CC1 1301708245 KDPWBLCMCFBMNX-XMSQKQJNSA-N 478.601 1.284 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1COCCO1 1301772264 GIMAAEQQBMWAAB-FQEVSTJZSA-N 454.531 1.454 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CC(=O)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358959732 OXCNWSAUGQJFGK-FQEVSTJZSA-N 478.578 1.625 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1358960474 FPSUFMAMYXZMFK-IBGZPJMESA-N 455.588 1.896 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1358962514 RCPAFUPBNUAREO-KRWDZBQOSA-N 455.544 1.599 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1358972156 WAYFNFSAYOAABG-UHFFFAOYSA-N 499.593 1.715 30 10 JDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCOc1ccc(S(C)(=O)=O)cc1 1359007708 SIJXCRVCMVNCJU-UHFFFAOYSA-N 471.539 1.948 30 10 JDEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359051862 LYGRLQHZCKYVGX-AWEZNQCLSA-N 462.938 1.251 30 10 JDEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCC(=O)NC 1359082410 IAAOCQYKFWMAOZ-UHFFFAOYSA-N 460.336 1.673 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359294254 OYHCHVGCEUATSZ-DLBZAZTESA-N 484.557 1.330 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC[C@@H]1C 1359342962 IWKGDDOBEILIKD-JKSUJKDBSA-N 459.638 1.534 30 10 JDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@@H]1CCCN1C(=O)OCc1ccccc1 1462896751 PDEQYVHRCFDRSM-RBUKOAKNSA-N 456.586 1.793 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCN(C)CC(F)(F)F)nnc12 1472507524 CAAUWSSFVKPKPU-UHFFFAOYSA-N 454.478 1.933 30 10 JDEE CSC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CCN(C)CC1 1505186260 AOLFYGUGZBKYKA-OAHLLOKOSA-N 455.654 1.456 30 10 JDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507560473 JRDMEUIOIRCUOS-UHFFFAOYSA-N 497.625 1.856 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 1507623696 VVYCUIKNAHKIAD-GOSISDBHSA-N 465.526 1.564 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)CN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1507633166 BZVZOEAAJVWADX-JTHBVZDNSA-N 499.685 1.164 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1507690745 WKKZRYOWSWKRKE-GOSISDBHSA-N 461.563 1.664 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2COCCO2)CC1 1507731573 LYLKDKLUDXNGGT-UXHICEINSA-N 474.606 1.563 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](F)COC)CC1 1507735686 FIAQBDWASCHVSJ-INIZCTEOSA-N 481.370 1.996 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCNC(=O)C(C)C)CC1 1507740524 UNDIGENODACITC-UHFFFAOYSA-N 476.585 1.255 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1507744301 QTRPCEQUAAVWNQ-GOSISDBHSA-N 455.588 1.593 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnccn1 1507797445 LPKJLVPPKMZGDI-QRQLOZEOSA-N 477.591 1.019 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCN(Cc3ccccc3)CC2)CC1 1507881600 OXISMUWYVVSBFS-OAQYLSRUSA-N 487.674 1.863 30 10 JDEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)COC)CC1 1507955000 UAHRTIPBHCKQRH-UHFFFAOYSA-N 454.579 1.713 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1508083854 DAOAJRWEFURASJ-MJGOQNOKSA-N 459.620 1.483 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](CC)O[C@H](C)C1 1508090351 HWMAYQYHTSZAOP-SQNIBIBYSA-N 478.594 1.892 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1508094479 OEKYNAGPEPLAJP-UHFFFAOYSA-N 495.628 1.602 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC([C@@H]2CCOC2)CC1 1508143475 LNYCSOLPTDQOMX-GOSISDBHSA-N 451.593 1.254 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2OC)CC1 1508145541 MSDQBTDVGFFLDO-SFHVURJKSA-N 461.588 1.718 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCS(=O)CC1 1508148111 GFVRQHWCPBUJCD-UHFFFAOYSA-N 454.574 1.035 30 10 JDEE CC1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 1512352919 GVCZUMCETZVULB-UHFFFAOYSA-N 487.630 1.542 30 10 JDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CC1 1517526286 DWDCOOYYZYODPG-UHFFFAOYSA-N 451.531 1.028 30 10 JDEE CS[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1519731082 GQHGICTVFVREBI-GOSISDBHSA-N 469.615 1.549 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(C)(F)F)cc1 1539179592 QNTPONXPVDLOTB-KRWDZBQOSA-N 453.515 1.840 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](CC(C)C)NC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1539215932 LPUNDYQLKQPJKF-RBUKOAKNSA-N 491.618 1.466 30 10 JDEE 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C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2nccn2C(F)F)CC1 1722448953 JHYCQPCGTMLDNQ-UHFFFAOYSA-N 454.485 1.870 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C(N)=O)cc2)CC1 1722448977 JULFRXMLZZHHDT-UHFFFAOYSA-N 457.538 1.377 30 10 JDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722463140 VAOSLVYAFSFXKE-UHFFFAOYSA-N 482.639 1.821 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1722538172 UWZZLPAEFKNANC-KURKYZTESA-N 457.597 1.065 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722545312 AOUQUPHCDMMXDT-UHFFFAOYSA-N 488.035 1.961 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1722588465 SYRCARJMTBTIQV-RBUKOAKNSA-N 497.662 1.988 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1722660578 ZCQJLPJWHVMINK-OAQYLSRUSA-N 458.519 1.616 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCN(C(C)C)C2)C1 1722718566 LNALJGKQTSYNRY-NJDAHSKKSA-N 496.678 1.513 30 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C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1740866273 YHWZVGOXFPYHIN-UHFFFAOYSA-N 457.623 1.891 30 10 JDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cnc2c(Cl)cnn2c1)C1CC1 1740907192 VOOSCSPLGGXTHB-ZDUSSCGKSA-N 464.983 1.982 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1740991277 RUWIRKPCVJACSY-NYUBLWNDSA-N 454.593 1.893 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1740994395 NJXZCEVMRKPGSE-ROUUACIJSA-N 462.528 1.615 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1747424686 CRLXYDUDFRYUBD-IAGOWNOFSA-N 480.566 1.958 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1748719193 WFALMWXSFVRIFP-ZWKOTPCHSA-N 494.643 1.757 30 10 JDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1748731712 JUCIIGDQVOCOAX-UHFFFAOYSA-N 480.960 1.862 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(CC)(CC)SC)[C@@H]1CCS(=O)(=O)C1 1748817148 FYDSDNSEHBTYOY-DLBZAZTESA-N 488.701 1.729 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OCC)c(OC)c2)CC1 1749009884 MPDUQYZVXNJJJI-IBGZPJMESA-N 480.569 1.651 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCS(C)(=O)=O 1749133776 QBZJWVUPZUBAHQ-LAUBAEHRSA-N 458.588 1.979 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1749225711 JAIKOYHZONOWQG-LJQANCHMSA-N 470.578 1.202 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1c(C)nn(C)c1C 1749402808 SOIZQPHWGFVMGW-LJQANCHMSA-N 465.624 1.954 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCS(=O)(=O)C1 1749529733 KLZBAYIJVWFTHZ-HKUYNNGSSA-N 459.572 1.865 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1749656021 XQUVKOWABNBRLX-LJQANCHMSA-N 471.993 1.644 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@](C)(OC)C1 1749669433 KUBIZBPJNAAANH-HSZRJFAPSA-N 454.579 1.760 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1749680721 OXTHMPFSJAPJKQ-DEOSSOPVSA-N 471.558 1.942 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1749683067 IGTFCWSSDVWAGM-KCZVDYSFSA-N 473.666 1.715 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(C)C)CC1 1749721372 IIKQUNDTDOSRQW-UHFFFAOYSA-N 461.592 1.493 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1749735382 RSEZFUVXETWPHW-QGZVFWFLSA-N 479.628 1.715 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749738204 IRBKFKMSPYSFMP-GOSISDBHSA-N 477.612 1.505 30 10 JDEE CS(=O)(=O)CC1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1750197078 BLTYJJZPFGMXOM-KRWDZBQOSA-N 492.989 1.415 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCN(c2ccncc2)CC1 1760118180 ZJDNORMDKQLEHV-WOJBJXKFSA-N 471.631 1.245 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1C[C@]1(N2CCOCC2)CCSC1)[C@@H]1CCS(=O)(=O)C1 1760188030 ZFQFGQDHOGJNJD-DENIHFKCSA-N 481.688 1.311 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1760254013 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1.735 30 10 JDEE CN1CCN(CC#CCOC2CCN(C(=O)CCCS(=O)(=O)c3ccccc3)CC2)CC1 1890342858 DLYPXJWKLBQPRK-UHFFFAOYSA-N 461.628 1.499 30 10 JDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC[C@@H](N(C)S(C)(=O)=O)C2)[C@H]1c1ccc(C#N)cc1 1891234878 KLSVTEYKEQNALF-NRSPTQNISA-N 478.640 1.834 30 10 JDEE CC1(C)OB(c2cncnc2C(=O)NCC2CN(C(=O)OCc3ccccc3)C2)OC1(C)C 2247944962 UEMKJEGKXGULRW-UHFFFAOYSA-N 452.320 1.774 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256617877 MUERRRVXCFYEIG-ODXCJYRJSA-N 450.370 1.987 30 10 JDEE Cn1ncc(C(=O)NC[C@@H]2COCCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267003376 NZANPDVYONMPMT-CQSZACIVSA-N 450.345 1.085 30 10 JDEE CN1CCN(C(=O)OC(C)(C)C)[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2267155246 QYWSUPITIOWMHT-CQSZACIVSA-N 466.413 1.723 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2267375181 DAEIVJJKHROXBA-ZIAGYGMSSA-N 488.437 1.696 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 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JDEE CC(C)[C@H](CCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2282865637 WWLOIEWWJONFQB-INIZCTEOSA-N 486.444 1.937 30 10 JDEE C[C@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282865749 YHWNVWOLNFHFJT-CQSZACIVSA-N 484.428 1.595 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2OCCC[C@]2(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2284058428 LVOPXUHYQRCJJD-ZSEKCTLFSA-N 480.396 1.614 30 10 JDEE C[C@H](OCc1ccccc1)[C@@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284416311 WOBRMHKPAWJIPW-WMLDXEAASA-N 479.364 1.056 30 10 JDEE CC(C)(C)OC(=O)N1CC(c2nc(=NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)s[nH]2)C1 2296451797 KWUZDQKOGAHLQS-UHFFFAOYSA-N 476.368 1.569 30 10 JDEE CCn1c(N2CCN(CCO)CC2)c(C=C2SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 2314426281 UMEMQENTWDENSW-UHFFFAOYSA-N 491.639 1.010 30 10 JDEE COc1ccc(/C=N/Nc2n[nH]c(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2)cc1OC 20832221 JCZDMWYGWBGMLR-UFFVCSGVSA-N 491.555 1.646 30 10 JDEE Cn1c(=O)c2[nH]c(Sc3nnc(N/N=C/c4ccc(Cl)cc4Cl)[nH]3)nc2n(C)c1=O 105377534 KXWZSZSMRZTURK-KPSZGOFPSA-N 466.314 1.982 30 10 JDEE C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O 245324853 APGDTXUMTIZLCJ-MPLLASRPSA-N 460.523 1.973 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1 501583916 WVGHMKIEQQESSX-UHFFFAOYSA-N 452.536 1.941 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)ccc1F 728880918 OTAOTKBMIKFBQJ-MRXNPFEDSA-N 466.579 1.495 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@](O)(Cc3nc(CC)no3)C2)ccc1F 856699265 JLYLUINXMHBLNC-HXUWFJFHSA-N 452.508 1.445 30 10 JDEE COC(=O)c1cn(C2CCN(S(=O)(=O)c3cc(Br)ccc3C#N)CC2)nn1 1211469458 FYEGTEAQHSVPCX-UHFFFAOYSA-N 454.306 1.725 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(Br)c(F)c2F)CC1 1253882001 BLXOKLDSKKTCFK-UHFFFAOYSA-N 451.293 1.022 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1286473202 YTVMVJYBJVVOCX-SFHVURJKSA-N 462.595 1.624 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCc2c[nH]nc2C)CC1 1286488642 PPISLIDEKBGHQH-RUZDIDTESA-N 483.617 1.949 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1286489915 HWGUGZXZDUQIBW-UHFFFAOYSA-N 480.594 1.832 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](C)N(C)C)CC1 1286490681 OUQISZFGXMRVGT-QGZVFWFLSA-N 486.646 1.154 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1286776419 YEILIAYBJAKLCY-GOSISDBHSA-N 478.575 1.097 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCC[C@H](COC)C1 1286783075 FXVBRFCQPYCOFV-KRWDZBQOSA-N 451.535 1.476 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C2CCOCC2)CC1 1286790345 MVJAMFKZOMOBPS-UHFFFAOYSA-N 454.575 1.503 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2cnn(C)c2)CC1 1286821496 NMWJBTNZBWDUOI-UHFFFAOYSA-N 491.568 1.808 30 10 JDEE C#CCOc1cc(F)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 1294180460 JKJKMPIYLHYZOJ-UHFFFAOYSA-N 459.499 1.943 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CCCCC1)N(C)C 1300466335 WFNXUAYLOJBPCA-OALUTQOASA-N 452.625 1.191 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1300482654 GWNHNTGRLIIRFN-WZONZLPQSA-N 491.614 1.853 30 10 JDEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1300488797 GTRPSBKBFRWFAM-KRWDZBQOSA-N 462.572 1.750 30 10 JDEE C#CCN(c1nnc(-c2ccc(F)cc2Br)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1300489275 LGRFTNBZQCRAHD-CQSZACIVSA-N 498.378 1.610 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(C(=O)NCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1300489311 LXZWUSWEYFANFV-HXUWFJFHSA-N 480.594 1.750 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1N1CCOCC1 1300537288 CZCRHDIFLXDGDB-OAQYLSRUSA-N 467.595 1.446 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1300653615 NQFNKNULXWCKKG-IIBYNOLFSA-N 466.535 1.193 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1300700002 KLMXWWHIAGEVAC-INIZCTEOSA-N 454.522 1.697 30 10 JDEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1300742439 JAKFGGLHJAUIBI-UHFFFAOYSA-N 496.637 1.381 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cnn(-c2ccccc2)c1 1301296110 FQFMZTAFKPZRIQ-FQEVSTJZSA-N 471.587 1.662 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1301588894 LGXSYZIKQRSVLX-QGZVFWFLSA-N 477.587 1.683 30 10 JDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1301612234 KUDSOLZUDDHQCS-MSOLQXFVSA-N 471.649 1.332 30 10 JDEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1301835846 BGTNXQQMBYHXER-UHFFFAOYSA-N 456.572 1.889 30 10 JDEE CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1306708157 FBFCELQSELVDIJ-OAQYLSRUSA-N 487.630 1.605 30 10 JDEE COc1ccc(C(=O)N2CCN(C[C@@H](O)COc3ccccc3C#N)CC2)c(OC)c1OC 1307516053 AXAGOVBPXLAVIQ-GOSISDBHSA-N 455.511 1.782 30 10 JDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)C1 1316342958 FNNDODBTKKGAFM-KRWDZBQOSA-N 470.580 1.932 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(COC)CC1 1358913509 PKFXWDXGRVMVHP-GOSISDBHSA-N 453.609 1.667 30 10 JDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1358918787 HNKVMFZLFYZAIU-UXHICEINSA-N 457.623 1.647 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccc(Cl)c1 1359024933 YURZYICZADWBIV-KKSFZXQISA-N 466.991 1.827 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccccc2)N(C)C)CC1 1359045568 MDYGBHJSHYEJLF-FGZHOGPDSA-N 498.653 1.449 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1359057243 VWADVOXEGLEJHA-KKSFZXQISA-N 464.588 1.784 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1359097042 KMDHYQWHOJKENK-DNVCBOLYSA-N 487.586 1.561 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Nc2cnn(C)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1359105398 NWMRIZCYNIXIQY-PVAVHDDUSA-N 451.553 1.069 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1359296823 VTULOWBEAOBJQZ-IBGZPJMESA-N 467.574 1.886 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(Cc2ccc(F)cc2)CC1 1360712724 BQVRCDAMOMAMFB-YJBOKZPZSA-N 462.551 1.779 30 10 JDEE Cc1ccc(-c2nnc(N3CCO[C@@H](c4cccc(C#N)c4)C3)n2CCNS(C)(=O)=O)o1 1361228510 ANIZTVGCEAIMFD-LJQANCHMSA-N 456.528 1.845 30 10 JDEE C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1442033068 MHCHGDHSJRQLGG-JSGCOSHPSA-N 454.492 1.574 30 10 JDEE COC[C@]1(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CN(C(=O)OC(C)(C)C)CCO1 1443893332 JDQNBBPCQGMQFD-YKSBVNFPSA-N 458.559 1.875 30 10 JDEE N#C[C@]1(F)CCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)C1 1475917132 CGSRQCZQVLQEEZ-HXUWFJFHSA-N 451.524 1.777 30 10 JDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN([C@]3(C(=O)OC)CCOC3)CC2)cc1 1476041810 OMFVJAGEUKVZKC-XMMPIXPASA-N 456.543 1.982 30 10 JDEE CCO[C@@]1(c2nnc(N3CCC(Oc4cccc(C#N)c4)CC3)n2CCC(=O)NC)CCOC1 1502684488 GNSWSVATOGMFGI-DEOSSOPVSA-N 468.558 1.986 30 10 JDEE COCCN1C[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(C#N)c2)CC1=O 1504899079 CAWFNAFPDXFLPQ-RTBURBONSA-N 451.531 1.232 30 10 JDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCS(=O)(=O)C1 1507608032 HVOQHPMXLJKRIG-HNNXBMFYSA-N 450.590 1.132 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)cc(C)cc1C 1507652521 HCQHIUDMQAWWDC-NRFANRHFSA-N 455.584 1.657 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(N(C)C)nc2)CC1 1507728332 XUGUKKDZDRZXPN-UHFFFAOYSA-N 464.599 1.534 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C2OCCO2)CC1 1507733532 BRKDMYBATMXVHW-UHFFFAOYSA-N 480.569 1.476 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NCC=C)CC1 1507733851 CHOYXKSKZVEUKC-UHFFFAOYSA-N 451.487 1.121 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(C(N)=O)CCCC2)CC1 1507734930 DFZAOHGNSRYHJW-UHFFFAOYSA-N 464.570 1.965 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OCCOC)cc2)CC1 1507739696 UKBYABWISVTLSB-OAQYLSRUSA-N 467.570 1.821 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1507801957 ZLVKNDZBNXLATF-DENIHFKCSA-N 470.622 1.650 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(OC)CCOC1 1508002290 DBFIZBBTANUPSN-NFBKMPQASA-N 491.614 1.609 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCO[C@H]1C 1508025379 QDZXJJUVIYRIPR-NOXFTYBFSA-N 460.600 1.955 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1508072722 RTKYKYLYIJVHHD-UHFFFAOYSA-N 462.599 1.129 30 10 JDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1508095744 SGQYVWOFLQYFQK-UHFFFAOYSA-N 470.578 1.370 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 1508137383 MXTDZBFKSCXYAJ-MRXNPFEDSA-N 451.524 1.026 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1508144102 BASNDLAQVXWJGC-FUHWJXTLSA-N 498.627 1.862 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCO[C@H](C)C2)CCO1 1517534031 GXRTXYCVHSMKEF-WIYYLYMNSA-N 467.574 1.269 30 10 JDEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC2CCS(=O)(=O)CC2)CCO1 1521121032 FSLUDWMEPUNYGH-CQSZACIVSA-N 469.365 1.589 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 1538572106 NTGVOHGKMFXOLT-FXAWDEMLSA-N 450.557 1.971 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)N1CCSCC1 1539016406 UHIWCGSDSFBEOW-QFBILLFUSA-N 477.612 1.627 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[S@](=O)CC)c1 1539043376 PNFOOBQHMFYTOD-NMEJYPJZSA-N 477.612 1.005 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OC(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1539222902 YHUMIRXGQKUKEZ-OALUTQOASA-N 459.572 1.639 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1539260599 QTMFVWFNPOEULF-INIZCTEOSA-N 450.524 1.492 30 10 JDEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1([S@](C)=O)CCC1 1539400948 NLNDGZFEKXYZOU-XIFFEERXSA-N 492.671 1.934 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CCCO)CC1 1539474781 YMVWOXZUQOZRNL-HSZRJFAPSA-N 475.597 1.629 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2F)CC1 1539728768 DOZIDTDYFHSFKC-KRWDZBQOSA-N 466.583 1.947 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)NC(C)(C)C 1539966468 KEFOMNMYXVBDRL-INIZCTEOSA-N 456.613 1.318 30 10 JDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)Cc1ccccc1 1540071303 DPKFMNCIGFXWFQ-SFHVURJKSA-N 452.602 1.808 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1540864548 DCOINNVLGMGANT-CXAGYDPISA-N 489.374 1.733 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1540875453 MJOLXUQBBOFQDC-QHCPKHFHSA-N 489.598 1.573 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](C)C1 1540901619 KMXHXNVKIVEXJA-CALCHBBNSA-N 486.598 1.889 30 10 JDEE C=CCSCCn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@@]1(OC(C)C)CCOC1 1540922343 LMAVXNGEGHPIKC-JOCHJYFZSA-N 478.619 1.759 30 10 JDEE COc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)c(OC)n1 1554933530 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C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1588074061 IBLLYRRLJXDONQ-UFYCRDLUSA-N 489.598 1.471 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCS(C)(=O)=O 1588193709 JOOWGYMMEAWGEL-UHFFFAOYSA-N 477.612 1.093 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1CC1(O)CCS(=O)(=O)CC1 1588550028 GLBZEEDRYDTQMR-IBGZPJMESA-N 476.574 1.891 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCO[C@@H]1C 1588550135 IWMWUBXKHMRJCK-RADWXHQJSA-N 462.547 1.499 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2nncn2CC)CC1 1588811996 OMCFTTWEYQRXFU-UHFFFAOYSA-N 483.621 1.808 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(C)CN(C)C2=O)CC1 1588907836 HBYQHCKWNZSYPD-QFIPXVFZSA-N 455.950 1.438 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1594013510 GVFCXGKELHAVFJ-INIZCTEOSA-N 483.616 1.527 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCCC1 1595303601 VWIWNENWYQHZRH-GOSISDBHSA-N 471.624 1.335 30 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C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1690699611 HCBOGQPSMSVFST-IPMKNSEASA-N 451.593 1.220 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C(=O)N(C)C)CCCC2)C1 1690700112 NRBOOUNDYZOTML-ROUUACIJSA-N 465.620 1.610 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690718777 ADBVWEIHEUIPTB-KRWDZBQOSA-N 495.005 1.422 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1696491205 AQXVCJAFLPPXBN-LJQANCHMSA-N 473.559 1.129 30 10 JDEE CS[C@@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1698340940 HCEPZGUEBMABPH-MAUKXSAKSA-N 464.617 1.871 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1705559627 AAAMYRFAIJVCIS-UYAOXDASSA-N 460.556 1.386 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1705570141 NEMJMGOJKFEUER-LEWJYISDSA-N 458.632 1.867 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1705570985 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C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1760282287 ZCMKKTOAFMTFKX-LJQANCHMSA-N 479.672 1.776 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCc2cccs2)CC1 1760346143 JMFXOJSPZRZNTD-LJQANCHMSA-N 480.660 1.613 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1760510251 NZTFPDPUPPMHJG-PMACEKPBSA-N 466.652 1.745 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)NC[C@H]2C1 1760518423 UROUHDQTVFZMNV-ZDUSSCGKSA-N 450.330 1.768 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1760555928 QSEBLUUYZFCVCV-SJORKVTESA-N 466.633 1.723 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCCOC1 1762289531 BSXDDAFCVYGBIN-GOSISDBHSA-N 483.621 1.863 30 10 JDEE CN(C)S(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1766945690 BOWGUBUYCVHPEB-UHFFFAOYSA-N 457.604 1.316 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N(C)C2CC2)C1 1767252234 HDNOYGVSCSNXBZ-JXFKEZNVSA-N 457.604 1.817 30 10 JDEE 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C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC1(C(N)=O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286384854 JSDLTOXHZSLVOS-NHCUHLMSSA-N 499.637 1.729 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(N(C)C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1286386576 CYZWDLJIKNISBF-IBGZPJMESA-N 487.626 1.691 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1286390070 WDNGDHXYYAFRQT-IBGZPJMESA-N 457.604 1.484 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCN(c2ccccc2)CC1 1286430445 NNFXIGQOPMASBI-HSZRJFAPSA-N 459.598 1.904 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(OC)cc1 1286447181 KCVUCFWNYMHTNQ-LJQANCHMSA-N 463.560 1.158 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)c2ccc(C)cc2)CC1 1286469428 FECCRZAOEZILMS-UHFFFAOYSA-N 472.553 1.419 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2CN2CCCC2=O)CC1 1286469705 JSYJHNOMQQTIPO-UHFFFAOYSA-N 463.586 1.342 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCCN2CC)CC1 1286492617 NOFKIZLEUXBHNN-QFIPXVFZSA-N 466.634 1.980 30 10 JDEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286499568 IZXHLUUYISUIER-UHFFFAOYSA-N 480.436 1.612 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286512509 VPIRGOZVZJGQPO-UHFFFAOYSA-N 487.655 1.974 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(O)c1 1286592394 CFIIFUGOUBBSSH-SFHVURJKSA-N 451.549 1.538 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1286628893 HJNJETHVHDWATQ-CABCVRRESA-N 491.014 1.467 30 10 JDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)N1CCSCC1 1286716914 OFPKTWYWHYBNPE-LJQANCHMSA-N 459.638 1.320 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCN(C(=O)C(C)C)CC1 1286783883 OWWBQUMHTLRPHD-UHFFFAOYSA-N 468.558 1.713 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1286784741 RZUZEHLBKNBODV-AUSIDOKSSA-N 490.612 1.498 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CC(C)(C)C2)C1 1286810271 PCPFMZXWKZLAOP-MSOLQXFVSA-N 453.609 1.829 30 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JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CN2CCCCC2)cc1 1300465000 IRMQUJRNOKTXGA-JOCHJYFZSA-N 486.642 1.715 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1300487507 KIBSRGYAFNKGIA-HRAATJIYSA-N 463.991 1.292 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1300495546 IKHVUAOQFWGMBI-IEBWSBKVSA-N 462.547 1.995 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300502697 WCMYSNINHQLPFA-AABGKKOBSA-N 476.647 1.148 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C)n(C)c2=O)n1 1300676332 MMYCLPXKXMEFML-UHFFFAOYSA-N 492.584 1.052 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2[C@H]2C[C@H](c3ccccc3F)C2)CC1 1300682912 KWIHRBAMBCYLPN-KZNAEPCWSA-N 460.579 1.901 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)CN2CCOCC2)CC1 1300689036 PGNXYFLZNXTLHA-FQEVSTJZSA-N 486.642 1.072 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1300711105 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C=CCNC(=O)Cn1c(N2CCO[C@H](c3cccc(OC)c3)C2)nnc1[C@]1(OCC)CCOC1 1301520414 GHTXKBHCEWGSSW-RDPSFJRHSA-N 471.558 1.819 30 10 JDEE Cc1ccc(S(=O)(=O)NCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)s1 1304428004 CVNCIPAILNAQCT-IBGZPJMESA-N 481.579 1.305 30 10 JDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)C[C@@]2(CCO[C@@H]2C)O1 1305149434 BQINGUNZSMWBIB-DOQJBMMISA-N 460.485 1.971 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OC)nc2OC)CCO1 1315012817 GJJTZSLYGJKDFR-GOSISDBHSA-N 463.498 1.228 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCNS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1358958753 VIFHAFGHDYJERZ-QGZVFWFLSA-N 486.019 1.165 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1358961021 QJQBEIHNTLHGEA-GCJKJVERSA-N 474.656 1.713 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OCC)c1ccccc1 1359010619 VEVVYRVSYRCLEC-UXHICEINSA-N 461.588 1.848 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1359018243 JCNJTHZGTFYQDU-ZHRRBRCNSA-N 461.950 1.487 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1359023873 ZLJGDSRWTRLMDP-KRWDZBQOSA-N 484.582 1.196 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1359026542 BEQAGRCWVXFFIM-ROUUACIJSA-N 481.619 1.871 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2csc3ccccc23)CC1 1359028951 KHXTWZNSNPAGAL-INIZCTEOSA-N 458.613 1.907 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCS(=O)(=O)NC(C)C)CC1 1359030656 AUQGXFDIYNBNIV-UHFFFAOYSA-N 481.626 1.885 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccnc(C)n2)CC1 1359091847 SZCGXOYCFFELKQ-POAQFYNOSA-N 490.634 1.295 30 10 JDEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359210532 WXSMWIAZWSIYFK-INIZCTEOSA-N 470.530 1.084 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1Cl 1359240251 JQUXNYNMWXKDHU-QGZVFWFLSA-N 455.968 1.966 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCS(=O)(=O)CC1)C(C)C 1359265852 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C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1508078977 LZSRXAFSBSYMPI-HSZRJFAPSA-N 492.628 1.350 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS[C@@H](CC)C1 1508079832 DPOGKKWTBLFHLL-HNNXBMFYSA-N 463.633 1.872 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1508087748 PRCXKSJHERAXOX-UHFFFAOYSA-N 467.559 1.657 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@@H]1C 1508088917 CSQXKLWHSPMWLI-HOTGVXAUSA-N 450.540 1.114 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2nccs2)CC1 1508130966 JTFHDYLWICBTLT-UHFFFAOYSA-N 479.632 1.288 30 10 JDEE CCC(O)(CC)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1513512665 BVOAKPYJTPWLIE-KRWDZBQOSA-N 467.578 1.442 30 10 JDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cc(C)n(CC(=O)NC)n1 1521233618 BTVHWZDPESVOSW-UHFFFAOYSA-N 450.293 1.988 30 10 JDEE N#C[C@H]1COCCN1C(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)cc1 1531150825 GUCWPUJHSLBWSS-ZWKOTPCHSA-N 455.540 1.864 30 10 JDEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1539117177 VBOQTHDWGSMCLA-UHFFFAOYSA-N 477.569 1.773 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cc([C@@H]2CCOC2)cn1 1539155065 RADCCTNMDDMTSC-LJQANCHMSA-N 483.598 1.665 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CC1(OCCOC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539210741 GCUMQKYXHBSJMJ-LJQANCHMSA-N 489.598 1.179 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCNC(=O)c2ccc(C)cc2)CC1 1539431548 VIRUVPDEKPQGQS-VWLOTQADSA-N 466.586 1.424 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 1539447139 ORZUKEWRXPZJQV-XUVXKRRUSA-N 463.648 1.777 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1539468416 FTCJZWCOPHGDEU-CJFMBICVSA-N 486.617 1.155 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1540867240 PKHVILKFYBRLOK-GOSISDBHSA-N 456.547 1.760 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2C[C@H]1CO2 1540871679 QQDJETFFABVKRR-YESZJQIVSA-N 462.551 1.256 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1540873498 ZXKYOKAWGVWGRM-GOSISDBHSA-N 464.526 1.637 30 10 JDEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1)N1CCOCC1 1541303325 FEWZYWMAFBXKBH-SFTDATJTSA-N 451.575 1.875 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CC1 1547767818 FGIOWAFJHPTTBI-IBGZPJMESA-N 453.547 1.023 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1587561415 DXJYVZLNRWZXMN-GVDBMIGSSA-N 461.592 1.015 30 10 JDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1587673972 TZYNYZGSGAWRSX-ZWKOTPCHSA-N 461.588 1.995 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1588069001 DYEILCWGUUOJOS-IBGZPJMESA-N 457.535 1.349 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1588069616 RHBJQIWSJLHGIZ-OAQYLSRUSA-N 476.562 1.993 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1588075020 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C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C)c(OC)c2)CC1 1749008922 DEVCOUNFVFADSJ-IBGZPJMESA-N 450.543 1.560 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1749038361 KBVARJRBOFMURL-UZLBHIALSA-N 454.618 1.321 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1749055368 IQPTYCHCMLNJGO-BUUDZMLXSA-N 472.634 1.865 30 10 JDEE C=C(Br)Cn1c(N2CC[C@H](S(=O)(=O)NCC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749113343 ZBYLPKNVBATINX-MAUKXSAKSA-N 492.440 1.745 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1749136915 UJDWAJQTNNIPTG-ZWOKBUDYSA-N 453.609 1.641 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1749427064 KNSLBIJBOSGHDT-MRXNPFEDSA-N 459.638 1.397 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1749663614 KRJVTIUWVZBLLO-MRXNPFEDSA-N 456.551 1.778 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1749671219 ZZPKYMPVUCTMQP-OAHLLOKOSA-N 465.526 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C=CCN1C(=O)c2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3OC)cc2C1=O 14844570 HUBLMRJPBMKOLT-UHFFFAOYSA-N 485.518 1.750 30 10 JDEE CCc1cccc(OC[C@@H](O)Cn2c(NN=Cc3cccnc3)nc3c2c(=O)n(C)c(=O)n3C)c1 254405663 HTXXSXLCDNJKLG-SFHVURJKSA-N 477.525 1.277 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(CC(=O)N[C@@H]4CCC[C@H](C)C4)CC3)cc2C1=O 524571677 NJWMGMSPTYQWIO-PKOBYXMFSA-N 452.555 1.921 30 10 JDEE CCc1ccccc1-n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn3ccccc23)c1=O 729669668 BCYYOELHXRGZPD-UHFFFAOYSA-N 485.569 1.471 30 10 JDEE N#Cc1ccc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3F)CC2)cn1 1154223051 BQIOJLRGNJQPKK-UHFFFAOYSA-N 459.503 1.076 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCCN3CCCCC3=O)nnc12 1160758563 AJOGZSFTZUAUBO-UHFFFAOYSA-N 454.556 1.841 30 10 JDEE C#CC1(O)CCN(CC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC(C)C)CC1 1174882995 IYUIUTGRDGUJAT-UHFFFAOYSA-N 451.589 1.903 30 10 JDEE C=CCN1CC[C@H](N(C)S(=O)(=O)N=[S@@](C)(=O)c2cccc(Br)c2)C1=O 1211666786 LMQKQAOJUDMVKC-BSEYFRJRSA-N 450.380 1.869 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1OC 1286293955 ANUMZMIPGBHNNY-KXBFYZLASA-N 463.560 1.134 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(CC)CC)CC1 1286324984 TXYSNXNCYYPRSE-FQEVSTJZSA-N 466.652 1.725 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCNC(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1286386691 GADSKIALTNEUEU-HXUWFJFHSA-N 478.578 1.705 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CCCNC(=O)C1CCC1)[C@H]1CCS(=O)(=O)C1 1286387002 LYMJCHDCXXPNKT-FQEVSTJZSA-N 455.584 1.878 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1C 1286428524 TXAGLNCAHGKZLP-QGZVFWFLSA-N 454.535 1.226 30 10 JDEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1 1286469317 SDRYWLJPQVHOLL-UHFFFAOYSA-N 457.556 1.640 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1286542873 DFTYWSKQXJFENM-AWEZNQCLSA-N 479.383 1.884 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286672022 FGWUHAGMVVYJEB-RBUKOAKNSA-N 478.663 1.525 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(Cc2cc(C)on2)CC1 1286789763 WFTMTVOLZDKDOO-UHFFFAOYSA-N 453.522 1.929 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1286815285 QNORTZHUPQDRIZ-UHFFFAOYSA-N 454.556 1.524 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1286820811 SGBZUTGMMRSDPF-LEWJYISDSA-N 480.679 1.378 30 10 JDEE CC(C)C(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CC1 1287120027 GKOZLUNUFROQMG-DEOSSOPVSA-N 451.575 1.624 30 10 JDEE Cc1noc(C)c1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1290917553 DXJDLANZRMIBTJ-LJQANCHMSA-N 477.591 1.589 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)CC)c1 1300335023 YJTXEECSYOFOHH-VGOFRKELSA-N 459.572 1.397 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnc(C(C)C)nc1 1300410539 OROVZPMMBSGNNF-GOSISDBHSA-N 461.592 1.574 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CCCN(CC)S(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1300489271 LAHJFZKDWYJQTG-LJQANCHMSA-N 479.628 1.243 30 10 JDEE C#CCN(c1nnc(CC)n1C[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCS(=O)(=O)C1 1300499482 SNINGDKSRYXZMX-LEWJYISDSA-N 457.600 1.368 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(C(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1300499850 YJLPVUILNCYHRF-FQEVSTJZSA-N 464.551 1.038 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCC(F)(F)C(F)F 1300579186 SEQQGIUNTXGHFF-AWEZNQCLSA-N 450.458 1.560 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1300709785 GCNRYGKBPKFIDB-UHFFFAOYSA-N 456.522 1.034 30 10 JDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCS(=O)(=O)CC)CC1 1300710192 WAFKFWHRHLTJRV-UHFFFAOYSA-N 463.629 1.769 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2oc3ccccc3c2C)CC1 1300712418 RSBWSPUYPBHDCE-QGZVFWFLSA-N 498.609 1.957 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301482619 XUIAAKOVPKTPMS-DOTOQJQBSA-N 485.520 1.332 30 10 JDEE CCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)cn1 1313842696 GIZYSLLQMAPHTC-UHFFFAOYSA-N 454.560 1.553 30 10 JDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1358911636 ZXUMKIMMIWCOQQ-SFTDATJTSA-N 457.623 1.264 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C2CCOCC2)C1 1358913256 JMEOFHUJGFLULW-WOJBJXKFSA-N 465.620 1.667 30 10 JDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCS(=O)(=O)C1 1358955560 OGZBSCPLIGRYAD-YADHBBJMSA-N 471.627 1.929 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc2c(c1)C(=O)NCC2)[C@@H]1CCS(=O)(=O)C1 1358957615 XDKZOIIDNLUAHB-VQIMIIECSA-N 455.584 1.753 30 10 JDEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1358960176 YTCSJGOGICYBHQ-KRWDZBQOSA-N 473.580 1.165 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC(=O)NCc2ccco2)CC1 1359046794 GETPWSKIINPJET-UHFFFAOYSA-N 474.565 1.939 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1359057140 SYCPKWAYTKMXJB-SFHVURJKSA-N 493.680 1.961 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncc(F)cn2)CC1 1359183391 KCKOGKFCSPPLPM-HNNXBMFYSA-N 466.587 1.746 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1Cc1ccccc1 1359300359 ACZLNWLCOVXQDK-UXHICEINSA-N 488.614 1.125 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)c1ccccc1 1359473625 FRNTVMFOGUTBKP-IAGOWNOFSA-N 465.601 1.640 30 10 JDEE CC(C)(C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1359552048 BMRDIYKYAYTGSK-UHFFFAOYSA-N 479.589 1.299 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(COC(C)(C)C)c1 1360713053 FDDHHKNPUJPVQX-VQIMIIECSA-N 476.603 1.980 30 10 JDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)c3ccc(Br)cc3C#N)CC2)cn1C 1435486593 ATQOXCKTZCJBNV-UHFFFAOYSA-N 452.334 1.509 30 10 JDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(S(=O)(=O)NCC(=O)OC)c1 1441350513 UIWOCLOZVXTION-MRXNPFEDSA-N 453.517 1.383 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)CC1 1471451455 STJLQYUEQUOTIY-UHFFFAOYSA-N 454.980 1.228 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(NC(C)=O)cc1 1507538575 NPIVEXLXZLMITD-JXFKEZNVSA-N 474.587 1.270 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507547619 MTMCSKRDRFPSGY-WPVAHCMFSA-N 465.620 1.664 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCC2CC2)C1 1507564699 VKBGSLFQSVUJAN-VQTJNVASSA-N 465.620 1.810 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1507733726 JZJRNGPHBBDDFF-UHFFFAOYSA-N 491.596 1.230 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)N2CCCCC2)CC1 1507738013 HSJNIBAWHKKJFC-IBGZPJMESA-N 455.607 1.460 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNS(=O)(=O)CC 1507764096 JNIOVYWMFKBTPA-HXUWFJFHSA-N 465.601 1.280 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1507844700 NVTYEFKFRXCCAT-CABCVRRESA-N 479.525 1.278 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)C(C)C 1508013393 NPNFMIHXDJDMSJ-IYWMVGAKSA-N 471.606 1.863 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 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C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1539206830 WGPLUVBKRLULQE-HNNXBMFYSA-N 452.483 1.698 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1539216728 WMQNJPQVDYSPMW-HKUYNNGSSA-N 484.582 1.781 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1539219717 DRDAEAHHNQBMNU-OALUTQOASA-N 492.623 1.194 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(=O)NCC=C)CC1 1539469085 NQXVXHJPASGYCA-KRWDZBQOSA-N 468.533 1.825 30 10 JDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1539513555 PGANIPOGWDXCLX-UHFFFAOYSA-N 474.616 1.192 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCC(=O)NC 1539626375 DOBAHUOQDRIDED-IERDGZPVSA-N 465.558 1.746 30 10 JDEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1539731041 WNFZRAFOLRVTJW-QGZVFWFLSA-N 481.395 1.980 30 10 JDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1539900166 IHYWCDFCYYCKRD-UHFFFAOYSA-N 457.623 1.861 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(Cc3cnc(C)s3)CC2)nnc1[C@@]1(OCC)CCOC1 1540876142 IQUSFIPLPFIPAU-JOCHJYFZSA-N 475.619 1.320 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1540901776 OUZJMYGPGNYJKB-UHFFFAOYSA-N 479.513 1.633 30 10 JDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@H]2C)C1 1541053241 AIZIPFVQILMGSK-NQIIRXRSSA-N 451.575 1.890 30 10 JDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C2CC2)N(C)C)CCN1S(C)(=O)=O 1555958889 FIBSFZIYLWBMOD-LAUBAEHRSA-N 487.630 1.539 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)n1 1564269356 HNHKARSCUYGUPR-NRFANRHFSA-N 455.515 1.497 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)Cc1ccccc1 1587638379 DISQHZGUQJIRRY-PKOBYXMFSA-N 464.613 1.643 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCN2CCOCC2(C)C)c1 1587697180 LCRSYFRNWQIVEH-UHFFFAOYSA-N 493.612 1.568 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588049277 DJQKRFHHUIKZCF-ZCNNSNEGSA-N 471.631 1.730 30 10 JDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCS1(=O)=O 1588398249 CCBQLFQRKFOEGJ-QGZVFWFLSA-N 482.607 1.082 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCOC(F)F)CC1 1588763386 WZUYXNXNXNHWCC-UHFFFAOYSA-N 482.557 1.580 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1588812144 PNBSZXYNOWFPIS-FQEVSTJZSA-N 454.550 1.805 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(C)COCCO2)CC1 1588885565 XLMBNGXQQFCJPY-AREMUKBSSA-N 494.596 1.919 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2nccc(C(F)F)n2)CC1 1588892077 WQQKCBTZOFEQII-HSZRJFAPSA-N 489.527 1.672 30 10 JDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1593691176 SZQDQBXZXALBJL-KRWDZBQOSA-N 453.551 1.386 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1593747445 WLCAURLXZSIQCK-HOIFWPIMSA-N 481.619 1.876 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1593884186 DSDJQDLMIGYNEL-KGLIPLIRSA-N 487.932 1.911 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1594813766 YQZYAENPSIFWEF-QUCCMNQESA-N 493.634 1.451 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N[C@H]3CCCC[C@@H]32)cc1 1595608301 QJFKYGOVINMVBX-VDGAXYAQSA-N 488.614 1.749 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(O)CCS(=O)(=O)CC2)C1 1595700353 NACKGQRVKNJBRJ-SFHVURJKSA-N 492.598 1.683 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1595788980 MHNHCUASRUSBMX-FQEVSTJZSA-N 484.582 1.749 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1615938466 GYBULUQGEXYMSX-SFTDATJTSA-N 494.644 1.574 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1617385980 HJFIWLOCTVRHOU-CZUORRHYSA-N 472.493 1.912 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C)C[C@H]2CNC(=O)OC(C)(C)C)c1 1622135672 NIQKAUNYZJIIIV-QGZVFWFLSA-N 452.577 1.432 30 10 JDEE COc1ccc(CN2CCCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2=O)cc1 1650928781 CEBNMHNKCHQRGL-UHFFFAOYSA-N 456.524 1.106 30 10 JDEE C#CCNS(=O)(=O)N1CCN(Cc2cn(-c3ccc(Br)cc3)nc2C)CC1 1659906447 CJFKIPWUDKIBQH-UHFFFAOYSA-N 452.378 1.528 30 10 JDEE C#CC[C@H](COC)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 1673018921 XEZBPVUIXMGIST-QGZVFWFLSA-N 452.577 1.714 30 10 JDEE C=CCN(CC=C)[C@H](CNC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)C(C)C 1675964695 STCRYQFWRXKMTH-OAQYLSRUSA-N 457.623 1.843 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCc1ccco1 1689951489 ZKYVSDNFKDGIKG-UHFFFAOYSA-N 456.528 1.174 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1689982448 NHXKHQDWHVQKHJ-NMEJYPJZSA-N 477.568 1.391 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(F)c2)CC1 1690136508 GGAHHMRTDPNIKP-OAHLLOKOSA-N 492.577 1.050 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1690299615 ZHSZNRJIJWLTQL-UHFFFAOYSA-N 496.616 1.653 30 10 JDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1690643525 FEDZEDDPRDLDOA-BZUAXINKSA-N 483.591 1.116 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2nccs2)C1 1690659024 HPYREATZHMVUEO-CQSZACIVSA-N 454.516 1.262 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CCO[C@H]2C)C1 1690689268 AKTSVJFVTZCAGY-CECAUBDESA-N 462.572 1.670 30 10 JDEE CN(Cc1ccco1)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1696705198 GMHBHIGGQDFLBA-UHFFFAOYSA-N 471.539 1.898 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2CCn2cncn2)c1 1705508267 SGJBFDQISHVKGV-UHFFFAOYSA-N 489.565 1.618 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN1CCOCC1(C)C)[C@H]1CCS(=O)(=O)C1 1705562348 AJWRLUZXDMNQCR-SFHVURJKSA-N 493.033 1.731 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1705568818 VOYHRTNCYIBCJC-QGZVFWFLSA-N 459.601 1.580 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705569784 HGEUWDCGNKWQRF-IBGZPJMESA-N 475.590 1.797 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccc(C(N)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1705569974 IZYUBQATVIFCFV-LJQANCHMSA-N 498.996 1.691 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705570459 PJSCXEBUYFZPNI-NRFANRHFSA-N 484.626 1.682 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(=O)Nc2ccc(F)cc2)CC1 1705632663 XXWYSEWLDJCFQE-UHFFFAOYSA-N 455.538 1.730 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCC(=O)N(CC)CC)CC1 1705638524 NHHUJAZFHOMMEM-UHFFFAOYSA-N 490.612 1.596 30 10 JDEE C=C(Br)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705680481 BRJYEMVYFCJQAF-DZGCQCFKSA-N 493.337 1.613 30 10 JDEE C=C(Br)Cn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1705691493 ZEBGUBCSSNALPC-PBHICJAKSA-N 463.398 1.851 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1N(C)CCCC1(C)C)C1CC1 1705854747 NNBZHSBOMQNZSN-MOPGFXCFSA-N 466.652 1.886 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](NC(=O)CC)C1 1705898092 ALSFJMVCZOCVKC-MRXNPFEDSA-N 456.547 1.760 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1705934803 YBJZHLYOHZWTRW-UHFFFAOYSA-N 463.564 1.393 30 10 JDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1705945970 WJAASXJPMCCVEK-MRXNPFEDSA-N 468.605 1.341 30 10 JDEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1711510337 DEHIDPYMSSSLHV-QGZVFWFLSA-N 479.585 1.792 30 10 JDEE COc1cc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)ccc1Cl 1711657648 HGCXLHPUUJISON-JKSUJKDBSA-N 465.963 1.814 30 10 JDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)C[C@@H](C)O1 1712303003 CMHOTHSZSGPOJG-KNQAVFIVSA-N 470.574 1.691 30 10 JDEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCN1CCN(C(C)=O)CC1 1722356030 SSJLWZVCYYGGTK-UHFFFAOYSA-N 475.391 1.853 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CC1(OCCOC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1722360389 GRVCWYLJFYBVKI-IBGZPJMESA-N 491.614 1.123 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCS(C)(=O)=O 1722393572 FKZNVVZASFUBDZ-UHFFFAOYSA-N 466.567 1.573 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@](C)=O)cc1 1722398116 XWYJLJQYRAUBQS-WRGVRERRSA-N 458.609 1.570 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1722412983 GLGIIILBLXDPJE-GBESFXJTSA-N 467.636 1.912 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(O)CCO[C@@H]2C)CC1 1722448014 UASLIQXPIJEXPI-VOIUYBSRSA-N 473.524 1.653 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCOCC1(C)C 1722449948 WDWPFDVJNPGZQQ-UHFFFAOYSA-N 493.612 1.872 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(NC(=O)C(C)C)CC1 1722696832 FLNOSDMNSMQCOY-UHFFFAOYSA-N 478.557 1.637 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1722698062 BPMHEMMPUGASLA-IBGZPJMESA-N 472.615 1.426 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)c2cccc(OC)c2)C1 1722712336 QJDWZAOMDRQXFF-HXUWFJFHSA-N 451.531 1.899 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)C(C)C)CC1 1722726848 IYTLXVLYWSAMOL-KRWDZBQOSA-N 453.609 1.514 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1722727512 OYTDOJGLNRCHSZ-CVEARBPZSA-N 482.607 1.276 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1722732189 VZLGXGDMIMAASS-MRXNPFEDSA-N 463.560 1.133 30 10 JDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCCC(=O)NC1CC1 1726447150 AFWMPNRYKUSSPJ-MRXNPFEDSA-N 451.531 1.454 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@@H](C#N)C1 1729738910 DAMQPTDTRRREKF-HIFRSBDPSA-N 450.590 1.409 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(C(N)=O)CCOCC1 1740550035 HNCPMNNATSRMQQ-KRWDZBQOSA-N 452.563 1.192 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCCn2cc(CO)nn2)c1 1740564485 OPOYEPJICINSRQ-GOSISDBHSA-N 464.530 1.012 30 10 JDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCN1CCOCC1 1740592038 SJOWTZHGSSDESI-LJQANCHMSA-N 462.595 1.768 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1740624407 GPFXDQANZXXAGS-IBGZPJMESA-N 452.540 1.343 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1740625281 PJLNIOSYGAECFN-MFMCRYCZSA-N 472.611 1.620 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(F)cc2)CC1 1740640564 PUIQCYKETAKJCQ-HXUWFJFHSA-N 471.558 1.555 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1740708334 LXQZYXKLJWCQFO-HXUWFJFHSA-N 499.637 1.874 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740758795 BYZFGELKRMUXDN-NQIIRXRSSA-N 460.604 1.717 30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(C(N)=O)CCOCC2)CC1 1740820313 YFVMRERBSFRMPR-UHFFFAOYSA-N 488.614 1.634 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1740839191 HHORMXFZXYKAGY-WOJBJXKFSA-N 478.663 1.525 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1740953440 GMHQYOQWPFHLEK-DLBZAZTESA-N 479.379 1.733 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CCS(C)(=O)=O)C1CC1 1740966179 WPKPYTILUQNBFF-KRWDZBQOSA-N 496.634 1.666 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740969642 UNQVAUUZFHUVRM-MJGOQNOKSA-N 488.614 1.608 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1740985925 NPOLGEKELSPWJE-OAQYLSRUSA-N 487.626 1.953 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1740990647 YJXJBMLPJSVBBG-UHFFFAOYSA-N 456.572 1.706 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1740990733 DUICYMHXVMKCFZ-HXUWFJFHSA-N 490.605 1.681 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1740992418 POZRLALTULSXPP-DLBZAZTESA-N 469.608 1.876 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCCN(C)C 1748671151 GLYKPZSMYKKOHG-GHTZIAJQSA-N 490.630 1.058 30 10 JDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCc1ccc(S(N)(=O)=O)cc1 1748930901 CONISRPMEGAYFF-UHFFFAOYSA-N 463.567 1.866 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1748977046 CLGMGGKCNWXNQL-FQEVSTJZSA-N 483.592 1.477 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1749004852 OGWNPKQTRIWXOJ-YSIASYRMSA-N 494.662 1.305 30 10 JDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749352827 XMBNKXKQVWZJLK-UHFFFAOYSA-N 454.579 1.839 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCN(C(C)=O)CC1 1749725052 NMHKAIWIZTUTLN-UHFFFAOYSA-N 483.598 1.995 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)NC[C@H]2C1 1749725681 UNRUVNZUFXHRQM-MOPGFXCFSA-N 488.614 1.850 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1ccn(C)n1 1750062676 HQUFFUQKJFGZMC-INIZCTEOSA-N 456.576 1.767 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c(c1)CCO2 1751095785 GTHGFUCERVNVAY-OXJNMPFZSA-N 474.587 1.527 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNS(=O)(=O)c1ccccc1 1760113328 SXPRHWZZTTUKRB-LJQANCHMSA-N 494.625 1.889 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)Br 1760116397 GZOANGKCSLEVIS-QWRGUYRKSA-N 456.313 1.057 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CC(=O)N1CCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 1760187100 TZEZYCSIHVCISC-JOCHJYFZSA-N 498.653 1.452 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1760189736 VZPDBRICOGEBRZ-SFHVURJKSA-N 462.597 1.624 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C2CC2)c1 1760206440 ZLCBAECWCFCVMI-NRFANRHFSA-N 453.568 1.610 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCNS(=O)(=O)Cc1ccon1 1760235836 YRFFARRLOGJRMH-IBGZPJMESA-N 472.527 1.358 30 10 JDEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCC(C)(C)O)CC1 1760254730 IMEYZFAZTXUXNI-UHFFFAOYSA-N 459.620 1.463 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2-n2cccn2)CC1 1760264863 GYONKGOSIQNKPB-UHFFFAOYSA-N 474.569 1.616 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(CN(C)CC)c2)CC1 1760268784 OUJATEVYVCQJIB-JOCHJYFZSA-N 477.613 1.695 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](CCC)OC)CC1 1760269011 VJKDCUUZMIEGOG-KRWDZBQOSA-N 456.547 1.787 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCN2CCOC[C@H]2C)CC1 1760273545 XVGVLDGFQZVHQD-HXUWFJFHSA-N 496.612 1.552 30 10 JDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1760506657 HLQDVWGZFPBOGC-SFHVURJKSA-N 475.619 1.452 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760517827 ZKAKNLUMSJDTLR-QHCPKHFHSA-N 486.529 1.304 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1760553195 NZFNHQHCFQCHGP-VGOFRKELSA-N 457.556 1.802 30 10 JDEE CC(C)(O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760815177 AXLFGACURKPMRL-UHFFFAOYSA-N 451.575 1.722 30 10 JDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1)[C@@H]1CCSC1 1766993932 GEHPGQLHMCWXKB-MRXNPFEDSA-N 452.544 1.824 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC2(O)CCS(=O)(=O)CC2)c1 1771531851 GBNPAKIHMDVQSE-MRXNPFEDSA-N 485.488 1.524 30 10 JDEE N#Cc1nnn(-c2ccc(I)cc2)c1NC(=O)CN1C(=O)c2ccccc2C1=O 1870143910 HIMMCDCGGOWWBD-UHFFFAOYSA-N 498.240 1.978 30 10 JDEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CN1CCN(c2ccccc2OC)CC1 1870581739 ADVYSHQUJVBVPU-UHFFFAOYSA-N 482.581 1.603 30 10 JDEE C=CCNC(=O)Cc1nonc1OCC(=O)Nc1ccc(I)cc1C 1872650842 HHTGWQADCHCSQK-UHFFFAOYSA-N 456.240 1.845 30 10 JDEE N#Cc1nccnc1OCC1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 1891980028 HJAOPHHPPGVMKP-UHFFFAOYSA-N 450.411 1.170 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@@H]2NC(=O)OCc2ccccc2)n1 2247823676 OQXVIQCQABAZJW-CVEARBPZSA-N 455.324 1.302 30 10 JDEE CC1(C)OB(c2cncnc2C(=O)N[C@@H]2CC[C@H]2NC(=O)OCc2ccccc2)OC1(C)C 2247929220 KBYHCXBXTGWAPM-QZTJIDSGSA-N 452.320 1.963 30 10 JDEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256621108 QLBMXTHGVQGKSG-CYBMUJFWSA-N 454.402 1.513 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)O1 2256628634 KSSJNWUUHZNUPA-NEPJUHHUSA-N 454.358 1.270 30 10 JDEE COC[C@@H](CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2256680620 ZQHBTGPUPIMDDA-CYBMUJFWSA-N 455.386 1.988 30 10 JDEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCN1Cc1ccccc1 2267368606 LMAUTQPIHYTOGT-KRWDZBQOSA-N 460.409 1.614 30 10 JDEE CC(C)(C)OC(=O)NCCc1n[nH]c(=NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)o1 2267540920 WKPCKIVUNLGUIJ-UHFFFAOYSA-N 465.341 1.567 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@](O)(CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2267546797 BKTGZNVOVMGJGF-NRFANRHFSA-N 467.397 1.934 30 10 JDEE Cc1nn(C)c(C(=O)N2CC[C@H](C)[C@@H](NC(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2281976780 GNCVHBMLWGNOGJ-AAEUAGOBSA-N 458.290 1.557 30 10 JDEE COC(=O)[C@H](CCNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2282188463 WJLBUZKJMBEPLH-INIZCTEOSA-N 463.340 1.567 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2282327682 LUMMMBJWPLUQSU-JKSUJKDBSA-N 486.371 1.383 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@@H](O)C1 2282534832 ITOPJJFUSJTUIU-OAHLLOKOSA-N 465.331 1.574 30 10 JDEE C[C@H]1CCCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)[C@H]1CNC(=O)OC(C)(C)C 2282619598 SZQAVFJDTTYXCI-GJZGRUSLSA-N 463.388 1.880 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1CO 2282672711 MBQWJLYVNPOGTC-DOTOQJQBSA-N 461.368 1.729 30 10 JDEE C=C(CS(=O)(=O)N1CCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C1)B1OC(C)(C)C(C)(C)O1 2282884703 RLOIRYRLMNLJIT-CVEARBPZSA-N 485.412 1.314 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 2337201274 SRIXJQNUXJIAGN-CQSZACIVSA-N 450.345 1.085 30 10 JDEE COC[C@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C=CCN1C(=O)OC(C)(C)C 2361515104 GWDILTXLKWRKLX-QFIPXVFZSA-N 460.340 1.906 30 10 JDEE COc1ccc(OC)c(NC(=O)CSc2nnc(N/N=C/c3ccc(OC)c(O)c3)n2N)c1 21316914 LBDWTYPVCPLQCF-LSHDLFTRSA-N 473.515 1.900 30 10 JDEE CC(C)OC[C@@H](O)Cn1c(N/N=C\c2c(F)cccc2Cl)nc2c1c(=O)[nH]c(=O)n2C 33695382 ZZMLVEHLUAXODC-BHHJDBKBSA-N 452.874 1.448 30 10 JDEE CCc1nnc(CN(C(=O)CSc2n[nH]c(N/N=C/c3cnn(CCOC)c3)n2)C(C)C)o1 59887326 QIBDSRLFVMIXQL-DNTJNYDQSA-N 476.567 1.568 30 10 JDEE COC(=O)c1ccc(/C=c2/s/c(=C(/C#N)C(=O)N3CCCC3)n(-c3ccccc3)c2=O)cc1 97993580 GJFSIRNYTGXCRE-VIJRKPPOSA-N 459.527 1.811 30 10 JDEE COc1cc([C@@H]2/C(=C(/O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)ccc1O 103129532 ANTBJNTZJNUTCW-LAFOYAEKSA-N 458.423 1.740 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNC(=O)c2c(F)cccc2Cl)CC1 502633117 IMAKBUHKVSTNRD-UHFFFAOYSA-N 464.906 1.614 30 10 JDEE CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(Cc3ccccc3)c2=O)c1C 728557888 UNXPCASRYXEGDO-UHFFFAOYSA-N 476.602 1.758 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 919048246 CTENGAMNVUMNAW-UHFFFAOYSA-N 499.593 1.326 30 10 JDEE COc1ccc(O)c(C=NNc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)c1 1084394829 MLYKYCYIEREMPQ-UHFFFAOYSA-N 458.460 1.791 30 10 JDEE C#C[C@H](NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12)C1CCOCC1 1131256752 FUUSLGDLXYFRQG-IBGZPJMESA-N 459.524 1.120 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc(C)c(Cc3ccc(F)cc3)s2)CC1 1204814740 MJMQPRXMIJELTQ-UHFFFAOYSA-N 451.549 1.799 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC1CC1 1286293893 AFWLXIYSZHCLSO-LAUBAEHRSA-N 473.599 1.906 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CCS(=O)(=O)N(C)C)c1 1286310898 HHCKUZRTAIPCKZ-UHFFFAOYSA-N 460.604 1.814 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286382692 SZHYCMGXCKIGMU-IPMKNSEASA-N 463.604 1.346 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 1286389132 GAJMFSFBGDHRCH-ZWKOTPCHSA-N 487.582 1.312 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1286408366 FMHOTWGTIQAOQF-SFHVURJKSA-N 478.578 1.743 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2CC(=O)N(C)C)CC1 1286488112 LGIQQLZKLLCZCW-UHFFFAOYSA-N 473.375 1.762 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CSCCS2)CC1 1286491763 ANTBOSIFRBLNCI-LJQANCHMSA-N 473.672 1.954 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286496802 VWJUFLXDRZCYSJ-KRWDZBQOSA-N 482.570 1.058 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286500329 QWZSYVXKIKWZCD-UHFFFAOYSA-N 497.668 1.187 30 10 JDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1286507247 FPLHPPVTXCZQDK-HSZRJFAPSA-N 483.686 1.862 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1286509353 OZVUXOGBJBQSAP-IIBYNOLFSA-N 464.588 1.784 30 10 JDEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286588276 ORNQIZIGAZFQBG-UHFFFAOYSA-N 470.574 1.519 30 10 JDEE C=C(C)Cn1c(N2CCC(CNC(=O)c3cnn(C)c3)CC2)nnc1[C@]1(OCC)CCOC1 1286599148 MEOAVENHQKSBIV-QHCPKHFHSA-N 457.579 1.886 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1286700003 JQEHWALQVRTOKJ-IAGOWNOFSA-N 470.596 1.292 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1n[nH]c(C)n1 1286769108 NDEJUKZLFUFTRY-QGZVFWFLSA-N 476.582 1.895 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(OCC(N)=O)CC1 1286776189 JCGVSKFYFNTOHK-INIZCTEOSA-N 450.540 1.243 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1286779533 JEPWCKVMCDERMY-DLBZAZTESA-N 466.583 1.750 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C2CCC2)CC1 1286781514 RZVNYYDMBVWKFD-UHFFFAOYSA-N 471.993 1.838 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CCC(N)=O)CC1 1286788255 SRXSRIMHSMCMCT-UHFFFAOYSA-N 481.605 1.236 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)OC(C)(C)C1 1286789258 BJYBRTUMQSWSLE-OAQYLSRUSA-N 481.645 1.949 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1286789657 INSIYSLWZIDWFT-AWEZNQCLSA-N 489.627 1.781 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN(c2ncccn2)CC1 1286792688 FLMSSRJMGLMQQZ-UHFFFAOYSA-N 480.598 1.998 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1286808014 ISJOWFFEOJHJEY-PKOBYXMFSA-N 451.506 2.000 30 10 JDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286835221 TWQCJCRXSROOHJ-CTNGQTDRSA-N 489.690 1.699 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1CC1(O)CCOCC1 1291194575 ACQYXWOCHCVEGP-KRWDZBQOSA-N 454.579 1.785 30 10 JDEE CCN(CCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N)S(C)(=O)=O 1295809843 BTHAEMNLFQTKIU-MRXNPFEDSA-N 486.602 1.602 30 10 JDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCCN1CCN(CC)CC1 1300459436 SIEHVERWHAMLLR-UHFFFAOYSA-N 465.650 1.939 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cccc2c1OCO2)[C@H]1CCS(=O)(=O)C1 1300478796 BPFUOKNJHOZPBP-SFHVURJKSA-N 487.582 1.600 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1300483849 OIBUQANZNNRDMP-VAWZGJIGSA-N 480.631 1.618 30 10 JDEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300755231 OWBVWZMXJDEJGT-SFHVURJKSA-N 485.639 1.967 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)c2ccccc2C1 1300989395 ASSIHRVXONLHGW-OAQYLSRUSA-N 490.630 1.660 30 10 JDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1301238980 IZZLZPWAXMNMRO-IBGZPJMESA-N 482.589 1.261 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@](C)(C(N)=O)C1 1301576275 CETWITDJTGNXFS-FQEVSTJZSA-N 467.979 1.910 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1301589775 WVLYTRMVMMJVHT-SJORKVTESA-N 453.609 1.514 30 10 JDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCc2cccc(C(N)=O)c2)CCO1 1303008919 CDFPRODVSXCABQ-QGZVFWFLSA-N 465.539 1.340 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC(F)(F)CO2)c1 1358902688 WNBSDOBCKUJHSA-WMZOPIPTSA-N 493.536 1.661 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cn3ccccc3n2)CC1 1358905317 XCUKPGWDIOROQE-IBGZPJMESA-N 484.630 1.662 30 10 JDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1358906639 OKWIBGKSGIHYTM-XMMPIXPASA-N 498.609 1.967 30 10 JDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1358919280 YGDAGXNNFYHYLN-GOSISDBHSA-N 450.609 1.614 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCOc1ccc(F)cc1 1358949012 QTWXTKAJMYDENL-LJQANCHMSA-N 465.551 1.679 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(CCc3ccccc3)C2)CC1 1359029429 XNYSMWOVMHZHCP-GGAORHGYSA-N 499.685 1.208 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359295775 NKUVJAJAGSJQKC-UHFFFAOYSA-N 491.955 1.213 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1359300783 KFOAYATZLYXLNG-MRXNPFEDSA-N 463.560 1.136 30 10 JDEE CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 1503677241 GADSXDBHOIQFOZ-LAUBAEHRSA-N 477.491 1.388 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1507589370 WIVGEISYVKGLJL-IBGZPJMESA-N 480.635 1.108 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1507629723 OVAGAGIEHDZFOE-INIZCTEOSA-N 473.555 1.073 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1507632602 NZRMQSFTXVAYJM-RDJZCZTQSA-N 479.509 1.506 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1S(=O)(=O)N(C)C 1507664956 JDLXEWVDMRGWTE-UHFFFAOYSA-N 451.556 1.440 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCNC(=O)c2cc[nH]n2)CC1 1507722022 WVSXLIDHFWHDEC-UHFFFAOYSA-N 492.584 1.649 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1507737179 ZKHCITYZYZAHRZ-CTNGQTDRSA-N 471.650 1.700 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1507741642 YFWPAZAAIAHVFZ-KDURUIRLSA-N 460.623 1.668 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCS(=O)(=O)CC=C)CC1 1507742244 DIGQPZNPWYFPQU-UHFFFAOYSA-N 473.574 1.575 30 10 JDEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCN(C)C1)C1CC1 1507989009 VDZMJXRAGSGKTJ-JOCHJYFZSA-N 460.604 1.417 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(=O)NC)C1 1508121876 AZKKGDDCDYBRAM-IRXDYDNUSA-N 464.567 1.504 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C)C1 1508143693 MWFGBEOMMYQNBU-OAQYLSRUSA-N 488.658 1.469 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CCOC2)CC1 1508161359 LEESSUFHDGUSGS-MOPGFXCFSA-N 485.676 1.783 30 10 JDEE CCS(=O)(=O)NCCn1c(Cc2cccnc2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1516854113 DKJZUWNKHBQNNS-UHFFFAOYSA-N 498.588 1.541 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2F)n1 1531363432 AEOOCLIFAGGQJJ-UHFFFAOYSA-N 450.536 1.973 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1539046758 ZZTCWWKASXUVSJ-UYAOXDASSA-N 486.598 1.467 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(C)n(C)c1=O 1539155552 XFUNSAYCIUYBNX-UHFFFAOYSA-N 454.556 1.320 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CC1CCN(C(=O)OC)CC1)[C@H]1CCS(=O)(=O)C1 1539212997 ZEIMHDNVMPRHTE-SFHVURJKSA-N 474.587 1.389 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1539225338 NBIZXAOWPGOVBF-ICSRJNTNSA-N 485.610 1.419 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1539322988 BVMAKCHKQZQGIN-SFHVURJKSA-N 463.604 1.900 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSCC(F)(F)F 1539325705 MEFBZSVSHHZVIV-HNNXBMFYSA-N 479.550 1.369 30 10 JDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1539369988 QWTLRWLGGOTVRD-LJQANCHMSA-N 472.619 1.336 30 10 JDEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1540858667 SUYXXEUWWMRYSY-UHFFFAOYSA-N 464.498 1.973 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1540864799 LGTXPUDOGWCAKW-QZTJIDSGSA-N 458.588 1.590 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1540867557 ZNLJOHSQXHCESA-QMHKHESXSA-N 457.531 1.649 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1540874865 UMCRCPZOUFKWDF-GOSISDBHSA-N 472.594 1.888 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1nc(O)c2sccc2n1 1540874991 YHZZGSHUVRSTGP-UHFFFAOYSA-N 467.559 1.789 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3cccc(OC)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1540876614 WQXPSAVQURGDFD-XMMPIXPASA-N 470.574 1.568 30 10 JDEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1554577184 FKXOJJUNRJQDKT-HXUWFJFHSA-N 468.558 1.981 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCN(C(C)C)CC1 1587578962 AUEYOLDISDHMMU-LJQANCHMSA-N 488.658 1.889 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(OC)CCOC2)c1 1587693345 RNOPOZVQVXGQRX-JPYJTQIMSA-N 452.515 1.091 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](OCC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588024814 MPZNCHSSOBYQCZ-RTWAWAEBSA-N 485.610 1.919 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588050292 QNHYKEHUDRSCQG-INIZCTEOSA-N 475.575 1.229 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@]2(O)CCOC2)CC1 1588864221 ALQPJHNAFIXIOA-NRFANRHFSA-N 476.375 1.526 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccc(C)c2)CC1 1588890473 ACLUDSAPTXTMFQ-SFHVURJKSA-N 472.615 1.405 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1593689758 DVPGDPNESDWFPG-UHFFFAOYSA-N 471.562 1.802 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1595602020 DBSLADKSHIUAHZ-DFEOGRTESA-N 478.594 1.654 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1595752666 CWYCGBUVPNOGOE-INIZCTEOSA-N 480.616 1.458 30 10 JDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)C1 1618879478 ASINVJJQXVHWGN-IEBWSBKVSA-N 473.555 1.695 30 10 JDEE COc1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cc1OC 1619250243 BWJVUADNUCVHCM-OXQOHEQNSA-N 492.602 1.609 30 10 JDEE COc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1619448882 FGNLLFFIYXFYMX-YADHBBJMSA-N 475.571 1.545 30 10 JDEE C=C(C)C[C@@H](CO)NS(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1656631301 AWIDSYJKARYLJK-NSHDSACASA-N 453.298 1.992 30 10 JDEE CC#CC[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1658029541 YFQICEMFMUQWFU-QGZVFWFLSA-N 452.577 1.450 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3-c3ccno3)CC2)cc1 1660628703 BUAOVWSGTCOZBN-UHFFFAOYSA-N 458.521 1.908 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1689997029 UMCDVCOUTPIYLK-IBGZPJMESA-N 473.603 1.013 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCCN2C[C@@H](C)C[C@H](C)C2)CC1 1690111855 KXJQVRAKEFPTCL-ACRUOGEOSA-N 479.695 1.402 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1690134673 ARMRVSVKXPIYGB-FQEVSTJZSA-N 483.661 1.990 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC(=O)NC)CC1 1690152186 BATAUECXPGIOFT-UHFFFAOYSA-N 458.950 1.612 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1690313226 NZMADFOJKPMAOH-IBGZPJMESA-N 490.630 1.893 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1690485150 MINAXIIAJARXKS-QZTJIDSGSA-N 495.675 1.917 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](C(N)=O)C1 1690719202 ICRNUIVOCKLRMQ-LBPRGKRZSA-N 486.367 1.759 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC=C(C)CC1 1690723083 HCDCWLHZXUPRDZ-UHFFFAOYSA-N 454.556 1.949 30 10 JDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O)N1CCC[C@@H](C)C1 1693666051 IDSFZLSZJGSVKC-MSOLQXFVSA-N 459.620 1.923 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC(F)(F)F)c1 1705504437 WLKAPXHMEVIHBW-LBPRGKRZSA-N 458.466 1.507 30 10 JDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1705533955 VNCCCFOBGJGEFH-NRFANRHFSA-N 452.559 1.982 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(COC(C)(C)C)on1)[C@@H]1CCS(=O)(=O)C1 1705567515 YGVJFKPAWBCFLO-AEFFLSMTSA-N 490.586 1.207 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1705568812 VOCGOMQSWWTAJR-CVDCTZTESA-N 490.651 1.969 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(N2CCO[C@H](C)C2)nc1)[C@H]1CCS(=O)(=O)C1 1705570600 OYDVQFWNXOLJSC-CTNGQTDRSA-N 486.642 1.772 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)c2cccc(C)c2)CC1 1705639654 TXGWZBOWNGXSTO-IRLDBZIGSA-N 486.642 1.478 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2[C@H]2C[C@H]2C)CC1 1705647080 ZODQTMGCFTXCIY-UZLBHIALSA-N 470.599 1.742 30 10 JDEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705892354 ZJZIYYKJSWQLKE-UHFFFAOYSA-N 468.558 1.167 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@](C)(C(N)=O)C1 1705896675 UQUIVMNDUDFURS-HXUWFJFHSA-N 477.363 1.720 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705908005 FHEYDLBQBCVSJT-QGZVFWFLSA-N 454.531 1.369 30 10 JDEE C=CCNC(=O)Cn1c(N(C)[C@H](C)CS(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705908524 RFHOHFGZBJWQBS-OAGGEKHMSA-N 484.623 1.220 30 10 JDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1705929989 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C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc3c2OCO3)CC1 1286485033 AVMJJXAAWRYCOW-UHFFFAOYSA-N 452.515 1.159 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)c2cccs2)CC1 1286485841 AHPDUPGJRNXRRP-INIZCTEOSA-N 492.671 1.893 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(O)(CC)CC)CC1 1286490298 JOCPNRPUBQXGCJ-UHFFFAOYSA-N 491.596 1.709 30 10 JDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1286505197 ZSVIUHGHAOOKGM-UXHICEINSA-N 482.658 1.918 30 10 JDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286507448 IMRLUOOCSCIGJF-INIZCTEOSA-N 454.647 1.518 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1286606604 VUJKAYNENIBJCG-FQEVSTJZSA-N 488.614 1.474 30 10 JDEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286707283 CVJPZTSADJIVED-INIZCTEOSA-N 474.949 1.347 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC2(CCOCC2)C1 1286780010 PCEISTLOFTYDNL-UHFFFAOYSA-N 465.352 1.724 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1286802865 DVIGLJLXWNGTOX-NNMXDRDESA-N 468.620 1.925 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1286821331 HQWUWQARYNMZDH-LJQANCHMSA-N 499.593 1.936 30 10 JDEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1286869753 YXJHAVUQJGAHLF-FQEVSTJZSA-N 465.558 1.702 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1296221509 GUOGYTBJXBRSLM-UHFFFAOYSA-N 484.580 1.916 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccc(C(F)F)n2)CC1 1296288012 DVIXNFDERNPTPK-UHFFFAOYSA-N 481.511 1.851 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1300365234 RPZDGOASWNTTRL-GOSISDBHSA-N 480.635 1.109 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300484808 UTDIICLOCHIDDY-VGOFRKELSA-N 497.618 1.082 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)nc3)n2CC(=O)N2CCOCC2)n1 1300676863 VLRZOUHNAYOGTC-UHFFFAOYSA-N 498.975 1.335 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCNC(=O)c2cccc(O)c2)CC1 1300685139 HUPXCYVLEWULPJ-AREMUKBSSA-N 496.612 1.600 30 10 JDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(CCC)C(=O)C1 1300744984 CHEIVAPWGXNGCL-UHFFFAOYSA-N 465.587 1.736 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1300848534 GQZQDUMKXCKJRO-ZIAGYGMSSA-N 458.382 1.290 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1300877729 ZDSWHWRISMSMHV-QRQLOZEOSA-N 487.605 1.650 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1300882489 VBQKHFDCOVUBKF-XLIONFOSSA-N 477.635 1.958 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(CC)CC)CC1 1301222762 FKZMXNGYFXYRIS-IBGZPJMESA-N 454.641 1.888 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(CCC(C)C)CC1 1301297342 PIAJEKCQKOSFSF-HXUWFJFHSA-N 468.668 1.991 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)NCC)CC1 1301477466 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C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CCO[C@H]2C)c1 1539037105 BXFXLMYXOJJMJW-HJPURHCSSA-N 454.531 1.012 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)NC)c1 1539040183 NXILYJDVVDAVRS-UHFFFAOYSA-N 487.973 1.599 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCSCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539219824 FQAKRGRCNSWJRD-OALUTQOASA-N 473.624 1.789 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCC(OC)CC2)CCCC1 1539412997 GJHLIUIGXLPNPG-FQEVSTJZSA-N 458.607 1.739 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)N2CCOCC2)CC1 1539441150 LLHNBRNCYCGJRP-IBGZPJMESA-N 454.575 1.438 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1539491741 UKBZQHAAYNRWQJ-UHFFFAOYSA-N 453.634 1.720 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1539616150 OWOYXXWCSDHTGJ-OWSLCNJRSA-N 498.650 1.973 30 10 JDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1539742498 DJDVQSGPTUJQKD-SFHVURJKSA-N 453.551 1.669 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1540005162 JZYMKTNLXUNBHG-INIZCTEOSA-N 457.556 1.879 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1540021005 YXVNIZJFEXGBKI-UHFFFAOYSA-N 467.574 1.532 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1540901462 DXCMZKTXDLJZOJ-QGZVFWFLSA-N 469.571 1.433 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1540903097 YHPLOHZLHAWZAU-SJORKVTESA-N 480.635 1.209 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540906755 AECHGPIBZRERCD-INIZCTEOSA-N 459.638 1.082 30 10 JDEE C=CC[C@H](CO)NC(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 1568312753 HNFXMWJMKUHZDV-GFCCVEGCSA-N 451.314 1.276 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1587621219 PMYOGGBTZTVMPP-HNNXBMFYSA-N 454.556 1.617 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N(C)C)cc1C)[C@@H]1CCS(=O)(=O)C1 1588024893 PJYZFQFKCLHXJK-OAQYLSRUSA-N 484.626 1.564 30 10 JDEE C#CCN(c1nnc([C@@H](C)CC)n1CC1CCN(CCN(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1588029042 CRGHEYRZAMOUTJ-FPOVZHCZSA-N 464.680 1.692 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1588060077 YVEIHFWWMYXQBP-WWOZWPLTSA-N 460.625 1.715 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2COCC)CC1 1588742786 UZOORQZSIPFIHW-GOSISDBHSA-N 460.604 1.228 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCS(=O)(=O)N(C)C)CC1 1588751383 KANNGAPSPFZQIO-UHFFFAOYSA-N 467.599 1.448 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)NCCc2ccccc2)CC1 1588876689 FOZLSVWGVCCBPI-GMAHTHKFSA-N 466.586 1.116 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1593696775 XWIVWGOHAICAIK-ZDUSSCGKSA-N 489.524 1.853 30 10 JDEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1593914837 PYUSGAFZGWNVFJ-AWEZNQCLSA-N 495.765 1.519 30 10 JDEE C=CCn1c([C@H]2CCOC2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1595399034 QFBGMDMLHZSISC-IRXDYDNUSA-N 481.619 1.876 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1595405440 PQGLRTQETIHMJO-LEWJYISDSA-N 474.631 1.898 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCS[C@@H](C)C1 1595766350 PSPVHKYIKLQUCN-INIZCTEOSA-N 499.684 1.738 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1595788615 DNUCIALQIFNNRS-MRXNPFEDSA-N 461.544 1.585 30 10 JDEE CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1596931542 ADSSRHLRPRRUKZ-SFHVURJKSA-N 487.630 1.745 30 10 JDEE C=CCOC[C@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1)C(=O)OC 1639559005 RWMLMTQEYFEKKT-IBGZPJMESA-N 452.573 1.873 30 10 JDEE C=CCn1c(O)nnc1S[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 1641002468 AUMUOKMKZWGZTK-CYBMUJFWSA-N 453.546 1.310 30 10 JDEE C=C(C)C[C@@H](CO)NC(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1684481910 LCPJUVBZSYFWRD-KRWDZBQOSA-N 455.577 1.731 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1689978143 NQTWYCZNTJWIHH-SFHVURJKSA-N 478.644 1.831 30 10 JDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCN1S(C)(=O)=O 1690062404 NUEQLHGKDBUQLE-CQSZACIVSA-N 455.382 1.919 30 10 JDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCS(=O)(=O)C1 1690072810 UYCAZFDTVHSIIB-INIZCTEOSA-N 464.617 1.523 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2COc3ccccc32)CC1 1690136680 ICWKCXSIUKPQKO-FUHWJXTLSA-N 486.598 1.030 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(N2CCCCC2)c1 1690527149 KBSZYMLDHFZLME-IBGZPJMESA-N 475.619 1.667 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)N(C)C 1690572163 VIUSFNCCGRQGAT-QGZVFWFLSA-N 485.607 1.403 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1690677391 VZQKLFDGBJRWJM-UHFFFAOYSA-N 483.573 1.506 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1690714818 VWRIILIMLYXJPU-SJORKVTESA-N 460.560 1.674 30 10 JDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1692843152 HEJAUQQGKQSPCV-JXFKEZNVSA-N 469.512 1.907 30 10 JDEE CCS(=O)(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1696505349 BRAHVMUZALOUIE-UHFFFAOYSA-N 498.588 1.541 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1705526576 MQVTUMSJMQCCKD-MSOLQXFVSA-N 459.528 1.723 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)CN(C)C 1705626873 LYTKYUKKQDSMOA-UHFFFAOYSA-N 451.575 1.866 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccc(F)c(F)c2)CC1 1705639036 DRVHEBFUCZIVAU-INIZCTEOSA-N 465.526 1.293 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cnn(C)c2)CC1 1705644772 BPZBSQTYKZLHED-UHFFFAOYSA-N 471.363 1.783 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCNS(=O)(=O)CC 1705677555 TYOKKWOHIBDYQQ-LJQANCHMSA-N 450.590 1.201 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1705843809 ODGYFTXGPNKJRU-OAHLLOKOSA-N 450.565 1.057 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705866216 KERJNRCKVILFHC-JXFKEZNVSA-N 452.602 1.976 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CCOC)[C@@H](CC)C1 1705895993 ZJQSGNSXCGNSLN-KRWDZBQOSA-N 494.438 1.895 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(C)(C)C)CC1 1705904661 UQFSQIDHROMHBT-QGZVFWFLSA-N 466.608 1.096 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@@H](COC)O[C@H](C)C1 1705932258 ABTXTRSGRUTOAE-SJORKVTESA-N 450.561 1.795 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(O)CCOCC1 1722302482 SHJNJBRRSPFMLI-OAQYLSRUSA-N 452.603 1.642 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1722358452 HTYVYPNJIMBWQR-INIZCTEOSA-N 469.527 1.205 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCOCCC=C)[C@@H]1CCS(=O)(=O)C1 1722363622 UOKKOFYGRLITOG-GOSISDBHSA-N 458.540 1.893 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC 1722413328 LEKSNYROOKOQCO-INIZCTEOSA-N 455.581 1.481 30 10 JDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1722459295 HIYXLRLIGAWDIT-MSOLQXFVSA-N 457.604 1.936 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1722491695 NPFYBZMWWASLFE-NBMJBFSESA-N 463.608 1.046 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1722523478 VMLSAXSCSRVUNT-IAGOWNOFSA-N 484.623 1.538 30 10 JDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722530084 MMGDSGVLNKNRFJ-IBGZPJMESA-N 465.562 1.818 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1722588764 ZIPKRAYIOZJZNL-UXHICEINSA-N 492.690 1.915 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722707606 UOTYNJRNAGVZNF-OALUTQOASA-N 454.531 1.184 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1722730467 SXEFIIRDIXLIJP-UHFFFAOYSA-N 485.614 1.826 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(CC(=O)NC)CC1 1722730474 TWCZZJGTCOIZNN-UHFFFAOYSA-N 451.618 1.884 30 10 JDEE CCc1nn(C)c(OC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1727481198 FTXDRQPDSLGTDN-IBGZPJMESA-N 478.557 1.511 30 10 JDEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 1728635052 GLYCNPZMEZBPEN-OAQYLSRUSA-N 464.618 1.936 30 10 JDEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(O)CCN(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1740616958 JNNKGUDXCXXBPR-RBUKOAKNSA-N 451.637 1.654 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCS(=O)(=O)C1 1740620385 PEBDIYMILKUALS-RBUKOAKNSA-N 491.639 1.162 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740625040 CNVWHUZMLXOYAS-RBUKOAKNSA-N 463.604 1.549 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(F)(F)Br)[C@H]1CCS(=O)(=O)C1 1740625920 JDJDFNSERSRTRE-STQMWFEESA-N 467.336 1.787 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOCc1ccccc1 1740655981 HILGQYZUYNBNQY-NRFANRHFSA-N 471.583 1.291 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1sccc1Br 1740679634 FIEZRGRNMJJKNB-GFCCVEGCSA-N 476.422 1.847 30 10 JDEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1740938696 KTMKJCCBCJJPNZ-HSZRJFAPSA-N 471.583 1.990 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1740956358 PTTGRNXUVZYIPZ-UHFFFAOYSA-N 460.604 1.854 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(CC)CC)CC1 1740992437 PXTJELYQIVJLIJ-QGZVFWFLSA-N 473.665 1.092 30 10 JDEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)C)CC1 1741088111 BYSKJOVXDXEEFT-UHFFFAOYSA-N 453.547 1.748 30 10 JDEE CCCN1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1745696937 BROWBXDVXPSWJH-QHCPKHFHSA-N 472.615 1.677 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CC(OCC)C1 1748649878 UKSCRWQMNCBIRW-FVYSKSNYSA-N 461.588 1.583 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1749006532 QSYFRKZXNXKZNL-KRWDZBQOSA-N 471.583 1.354 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nc(C)no2)CC1 1749119701 VTDTWDINLBNQAK-JLSDUUJJSA-N 479.607 1.945 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1749193260 DGUYVQRPLVPGEO-OAQYLSRUSA-N 474.631 1.818 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749367466 WKGYBOMFTZUFHZ-NVXWUHKLSA-N 450.609 1.823 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)OC)C1 1749402627 PWKBWSURRQJQSN-SJORKVTESA-N 455.581 1.357 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2cncn2)C1 1749427812 UIURMQZPWOPHFM-IAGOWNOFSA-N 450.569 1.010 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CN(C)CC)c1 1749488887 OOPDLKYRNUDCKS-HXUWFJFHSA-N 462.620 1.733 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(F)(F)F)CC1 1749721161 BOTXSMCDLABSTO-GFCCVEGCSA-N 473.543 1.268 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2CCCN2C[C@H]1C 1749721977 XXEGEQIIVYBGGX-SJLPKXTDSA-N 452.625 1.470 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1749729107 BDXMTGIWAOEEBF-HUUCEWRRSA-N 458.581 1.943 30 10 JDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1750215705 BYBIYXHBVOONLS-UHFFFAOYSA-N 499.622 1.780 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCOC[C@H]2C)c1 1760126332 VIVCVPGYSKEPJF-AOIWGVFYSA-N 488.614 1.617 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1760192291 HKBVYMZYMDCQAX-ZVDOUQERSA-N 488.614 1.138 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCn1ccnn1 1760216676 XFMWFZYMPIWZFX-UHFFFAOYSA-N 455.526 1.820 30 10 JDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@@H]1C 1760235730 VUKOSBZOLAPASF-RBUKOAKNSA-N 462.595 1.767 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OCC)cc2)CC1 1760269128 ZBHMIZWLNFWRKH-HXUWFJFHSA-N 450.543 1.642 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2(N(C)C)CCCCC2)CC1 1760270886 DPOBWRJBVOOOTC-UHFFFAOYSA-N 469.634 1.631 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1760279344 ZXNQWVXERFSGSL-UHFFFAOYSA-N 458.636 1.426 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1760322598 UXUXNOUSLFBCJR-ZRNYENFQSA-N 467.636 1.871 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2csc(CC)n2)CC1 1760389944 XHXDFTQEFDYTDS-INIZCTEOSA-N 452.606 1.835 30 10 JDEE C=CCCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1760443471 USJRWCCYUFOOSX-UHFFFAOYSA-N 466.586 1.537 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1760515630 PTVIOBWCBVHRPP-INIZCTEOSA-N 478.395 1.639 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760518241 NLDPDXBZYABTIH-UHFFFAOYSA-N 484.985 1.948 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N(C)C2CCCCC2)C1 1760541798 HSOHAWUDORPEIX-IEBWSBKVSA-N 465.620 1.753 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(O)(C(F)(F)F)CC1 1760549234 ZVWSUPZGJQNVGF-UHFFFAOYSA-N 488.492 1.420 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760552615 UVDPUKFRYITFBZ-UHFFFAOYSA-N 461.592 1.571 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1760553789 IKXMFZUIFURYAG-AEFFLSMTSA-N 480.635 1.207 30 10 JDEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1768186308 HEGVTOSJONIYSJ-OAQYLSRUSA-N 462.576 1.673 30 10 JDEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CC(=O)NCC(F)F)c1 1770730714 DHGZRIDVHLZYIR-AWEZNQCLSA-N 485.417 1.703 30 10 JDEE C[C@@H](NC(=O)c1ccc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1)C(=O)Nc1ccc(C#N)cc1 1866899904 KRGOWEAXUHHCAC-WZONZLPQSA-N 495.605 1.624 30 10 JDEE C=CCn1cc(OCC(=O)Nc2ccccc2C(=O)OC)c(=O)cc1CSc1nnnn1C 1870208963 FLAAXYUPCISOAI-UHFFFAOYSA-N 470.511 1.654 30 10 JDEE C=CCn1cc(OCC(=O)Nc2cccc(C(C)=O)c2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870646987 LHQOGHXZLZPWDA-UHFFFAOYSA-N 466.538 1.952 30 10 JDEE CN1CCN(CC#CCOC2CCN(C(=O)CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)CC1 1890436886 QYWANLWCPPIYJJ-UHFFFAOYSA-N 488.588 1.694 30 10 JDEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCC(n3cc(CCO)nn3)CC2)[C@@H]1c1ccc(C#N)cc1 1891254311 DHHSSKYFKXUIMY-XZOQPEGZSA-N 482.610 1.942 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2268624454 UBSDOHBAIAPVLP-OAHLLOKOSA-N 451.304 1.832 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)Nc2nc(CCNC(=O)OC(C)(C)C)cs2)n1 2281937690 CPDCFISISLBBHJ-UHFFFAOYSA-N 478.384 1.890 30 10 JDEE COC(=O)C1(NC(=O)OC(C)(C)C)CC(NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282032369 FIWKTJDJKIJPKU-UHFFFAOYSA-N 481.380 1.771 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1COCCN(C(=O)OC(C)(C)C)C1 2282036843 OGFAPCPUBCOUHQ-HNNXBMFYSA-N 464.372 1.333 30 10 JDEE C[C@@H](CCCN(C)C(=O)OC(C)(C)C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282324459 PJPVILRRLHRHKR-AWEZNQCLSA-N 487.432 1.428 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2282329413 LWTCGXHEQLOBKR-MOPGFXCFSA-N 472.420 1.614 30 10 JDEE CC(C)(C)OC(=O)NCc1nc(=NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)s[nH]1 2282349588 AUQPCNKFZQTGEQ-UHFFFAOYSA-N 497.408 1.480 30 10 JDEE Cc1nn(C)c(C(=O)N2CCOC[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282567351 MXKKNXWXFTYVSU-OAHLLOKOSA-N 464.372 1.393 30 10 JDEE CC(C)(C)OC(=O)NCC[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCO1 2282625277 SQJQOPCBXKVKIU-INIZCTEOSA-N 462.356 1.532 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 2282853465 DECROCLDVPAMTN-HNNXBMFYSA-N 484.428 1.787 30 10 JDEE CC(C)(C)OC(=O)NCC1CN(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2283954144 BHOSQBSPMAYIBU-UHFFFAOYSA-N 464.347 1.915 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@H]1CNC(=O)CN1C(=O)OC(C)(C)C 2283956860 MKSUKSJZDXYIST-KRWDZBQOSA-N 459.352 1.968 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1 2300229843 BLPAPKYQWUCAPA-CALCHBBNSA-N 454.336 1.907 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2359282639 BVXLEDWOKXKVTE-WBAXXEDZSA-N 479.408 1.915 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H](O)C2)n1C 2362494131 NHMKTLXHHPLNHY-HNNXBMFYSA-N 464.372 1.082 30 10 JDEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3cc(Cl)ccc3OC)n2N)cn1 59914116 MJOVEXSSKOTRRE-ODCIPOBUSA-N 479.954 1.674 30 10 JDEE CCOC(=O)N1CCN(C(=O)C(/C=C2/C(=O)ONN2c2ccccc2)=NC(=O)c2ccccc2)CC1 585673769 SCCQMGPGXUZBPY-MRPMKJANSA-N 491.504 1.935 30 10 JDEE COc1ccc(-n2c(=C(C#N)C(=O)Nc3ccccn3)sc(=Cc3ccccc3)c2=O)cn1 608884200 AVKOEXGUAJDOJW-UHFFFAOYSA-N 455.499 1.839 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2)CC1 680761923 ZLRAQIBEZFLHFV-UHFFFAOYSA-N 474.558 1.995 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC2CCS(=O)(=O)CC2)c1 1286310713 YCRLBGUBNBZBLJ-UHFFFAOYSA-N 479.566 1.616 30 10 JDEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286337549 LSSFZVOXZWLCOH-HNNXBMFYSA-N 486.378 1.991 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1286380348 BTLYHHRXNPKENR-QMMLZNLJSA-N 454.593 1.106 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1286392201 IBMCYDREAZDKMR-RCCFBDPRSA-N 489.564 1.683 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)C(=O)NC 1286418484 JSPHLFHWFKNHDD-UHFFFAOYSA-N 470.599 1.431 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCOC1 1286425901 BJGANCFPNXUEOT-RUZDIDTESA-N 460.538 1.850 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@]2(O)CCOC2)CC1 1286473007 GSLQYVRMVJSLLL-OAQYLSRUSA-N 476.375 1.623 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1286483607 QVCWYJUSKXLKOF-UHFFFAOYSA-N 477.491 1.540 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(F)cccc2OC)CC1 1286586107 WFWMJEUOAAWMLQ-HNNXBMFYSA-N 452.556 1.939 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1286783111 GYDGJDSAHNHOIV-LJQANCHMSA-N 483.617 1.481 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1286784501 JTGCJGCRZUVVAR-UHFFFAOYSA-N 476.585 1.253 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(F)(F)Br)C1 1286801248 XLPLXLOPNWYDIY-QWRGUYRKSA-N 458.329 1.657 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1286814609 UJCCFCMDOJKRIY-LJQANCHMSA-N 477.562 1.832 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(F)(F)C1 1286814977 JHEICNYVEOUFPQ-UHFFFAOYSA-N 460.528 1.795 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1286823763 QOTTYULZWNVDTP-SFHVURJKSA-N 461.588 1.742 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCNC(=O)C1CCC1 1300441592 STKTZZCGOGGSSC-UHFFFAOYSA-N 458.588 1.571 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300483459 LRWIKYHXSOOFIE-GHTZIAJQSA-N 468.583 1.164 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300493477 UXVUGFOUCYAYLK-LJQANCHMSA-N 451.556 1.498 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCNC(=O)C2CCC2)CC1 1300703409 JABJMZHKRWTNAZ-UHFFFAOYSA-N 450.587 1.939 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1300729301 UVGGHVINCXRYCK-FNZWTVRRSA-N 483.661 1.877 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCC1 1300806444 VOPOVJWYNRXHSF-YLJYHZDGSA-N 450.609 1.087 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCC(F)(F)F 1301339344 MVABGUYGGIZTHI-MRXNPFEDSA-N 461.448 1.972 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1301478580 NCXQKNGUAQBAMC-SFHVURJKSA-N 497.003 1.966 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1301510371 VVPKAIRGQIPTAU-SFHVURJKSA-N 453.547 1.332 30 10 JDEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C1 1302433929 FNDXOSSENRXHDO-FQEVSTJZSA-N 486.598 1.658 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)c2ccsc2)CCO1 1315006013 BGXLHMSVPHFUQV-AVRDEDQJSA-N 452.540 1.737 30 10 JDEE CO[C@]1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC=C(c3ccc(C#N)cc3)CC2)CCOC1 1315267439 AMDLTUJDGDICID-SBUREZEXSA-N 486.598 1.859 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(F)(F)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358955323 JYADLCQVOQBPHX-GOSISDBHSA-N 477.537 1.933 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1358967175 FQLIQHYTKVIYBA-RBUKOAKNSA-N 474.583 1.919 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(COC(C)(C)C)on1 1358994347 KPWMODLBBSOCAC-QGZVFWFLSA-N 459.572 1.995 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCN(C)C(C)(C)C1 1359002569 FARBGUFYJXIROE-UHFFFAOYSA-N 487.674 1.681 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)cc1 1359025178 FYCDHAYIXSHXCM-IBGZPJMESA-N 482.006 1.593 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(OC)ccc2OC)CC1 1359039938 BHPHBFDWRJLXGL-UHFFFAOYSA-N 468.558 1.448 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359133588 VURYUYVNXQVTGY-HNNXBMFYSA-N 458.544 1.308 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1359291971 FYAMLRLKSZOWSI-LJQANCHMSA-N 498.975 1.266 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359292646 UTZMUHLQXKJVOL-OAHLLOKOSA-N 497.021 1.892 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1359337292 NHUWGCUGFJNMTI-HNNXBMFYSA-N 487.721 1.811 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(F)c1 1507537209 GXQBCBDMWNTJMT-FCEWJHQRSA-N 465.551 1.676 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCCC=C)[C@@H]1CCS(=O)(=O)C1 1507627823 GBGPBSIWQIFNJR-LJQANCHMSA-N 472.567 1.936 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507639017 IRJKTDXZSGHKJL-LJQANCHMSA-N 491.589 1.345 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OC 1507670890 DKPMWTQFRXXKLL-OAQYLSRUSA-N 471.583 1.439 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1507716652 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C=CCNC(=O)Cn1c(N2CCN([C@H](C)C(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1508097334 HZMMGOUBCNCXPQ-BEFAXECRSA-N 460.501 1.305 30 10 JDEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)n1 1511692158 BOBMZSGSNHVZKC-IBGZPJMESA-N 460.608 1.551 30 10 JDEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1515482838 BQXVXRWUFIMKEH-QFIPXVFZSA-N 481.601 1.613 30 10 JDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1516946220 FNYGANQKHUYFNC-UXHICEINSA-N 464.574 1.071 30 10 JDEE N#Cc1ccc(-c2nnc(N3CC[C@H](CN4CCOCC4)C3)n2CC(=O)NCC(F)(F)F)cc1 1521089520 GMYRTOOHVVUQKY-QGZVFWFLSA-N 477.491 1.654 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1CC1(SC)CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 1539222324 VMNZSYOEVODYQV-GOSISDBHSA-N 451.662 2.000 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539222886 XYMCRTWOQNJZOM-LZNRXBQRSA-N 450.605 1.740 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1539231693 WUZMNVLYVXBYLN-FQEVSTJZSA-N 457.600 1.558 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCN1CC 1539245354 FSCHMOXITWIINZ-HXUWFJFHSA-N 454.600 1.753 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1539284527 QQFIOVFCSOMMNS-XMMPIXPASA-N 474.609 1.982 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1Cc2ccccc2O1 1539325635 KIZOUHOHYPFOJK-FPOVZHCZSA-N 469.567 1.078 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)s1 1540576426 NWNNMRJPBKVOKG-UHFFFAOYSA-N 452.510 1.967 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CC(N)=O 1540870220 HQEKPAXITHHFJX-JKSUJKDBSA-N 463.583 1.395 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)N2CCC[C@@H](C)C2)C1 1540883162 VJFPPDCZUMALRL-AKHDSKFASA-N 454.641 1.790 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(C(C)=O)CC1 1540905081 RWTANXASVFRWJX-UHFFFAOYSA-N 471.587 1.176 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1540908123 CFPNDLJEVMUFAT-JTSKRJEESA-N 480.562 1.981 30 10 JDEE Cc1ccc(C(=O)N2CCN(C(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)cc1 1541076458 GSWZTQHZXKJCTD-QGZVFWFLSA-N 454.552 1.797 30 10 JDEE C#CC[C@@]1(C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1544446562 YRUGSQRWFJEMNJ-DYVFJYSZSA-N 455.499 1.718 30 10 JDEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(CS(C)(=O)=O)CC1 1545545615 ALUZWZUQYAXIRH-SJORKVTESA-N 472.619 1.993 30 10 JDEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)Cc1cccnc1 1548371091 OSDAWIBPPDEYFI-FQEVSTJZSA-N 475.471 1.995 30 10 JDEE C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1556482955 BCDCCBUSZGQAMD-AEFFLSMTSA-N 454.390 1.816 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1CCCO 1587639095 KINPFDRVKRIYGL-ZCNNSNEGSA-N 476.622 1.891 30 10 JDEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1587879251 PWABJFUBXAHPBC-QFIPXVFZSA-N 499.685 1.526 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCSc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588029538 IRKYGGUHWLIBTK-IAGOWNOFSA-N 497.668 1.307 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1588034037 ALLYQBKUUDNRKH-FZEVHQGJSA-N 476.624 1.882 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588064214 CXZNBTKPLRJAAO-QGZVFWFLSA-N 470.521 1.385 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588074184 KPWQVXJPGRZVRE-DEPCRRQNSA-N 466.604 1.301 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CCNS(C)(=O)=O 1588594596 JCLHFRMMPNFZSH-UHFFFAOYSA-N 474.356 1.482 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cnn(CC)c2)CC1 1588836368 IAEJXJWIRFXJGY-FQEVSTJZSA-N 484.605 1.606 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)N2CCOCC2)CC1 1588962149 WMNLQRFATGJIHF-IBGZPJMESA-N 484.576 1.683 30 10 JDEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(C)(=O)=O 1593887385 ZKNAYWVAPOSREQ-CQSZACIVSA-N 463.988 1.820 30 10 JDEE C=CCCOCCn1c(C(C)C)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1594783599 FRIGHKGJFVRHAI-UHFFFAOYSA-N 456.595 1.947 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)N1CCOCC1 1595108779 KZFWQDDQOCRDCD-DEOSSOPVSA-N 455.559 1.982 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccc(O)cc2)CC1 1595466394 IIBZSEUGDBEIRW-UHFFFAOYSA-N 455.563 1.531 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(C)CCN1CCOCC1 1595489453 GUEGZPXZDFEVFJ-UHFFFAOYSA-N 463.380 1.778 30 10 JDEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1595658291 ADUPHLZYSUGTRR-UHFFFAOYSA-N 494.600 1.556 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1595798538 QDMWWZHKVZYHFW-FUHWJXTLSA-N 492.598 1.844 30 10 JDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCC2)CC1 1617332067 HDPVNPMGIHFUBH-UHFFFAOYSA-N 458.588 1.838 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](c2ccc(Cl)cc2)N(C)CCC)CC1 1681036945 PDBRYYMXTAWLIS-LJQANCHMSA-N 456.012 1.518 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC2(C(N)=O)CCCC2)c1 1689870238 HHDCKSRMVJWUTA-UHFFFAOYSA-N 460.542 1.781 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1689983830 HZCMEYVSZTUHAH-GAJHUEQPSA-N 476.599 1.996 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCNC(=O)c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689992739 OJJRJXCUZKBNOK-LJQANCHMSA-N 473.599 1.542 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)c2ccccc2F)CC1 1690154220 KODCCBGORCRDPK-HXUWFJFHSA-N 468.533 1.665 30 10 JDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CC(=O)N1CCOCC1 1690160007 UBAIELUGICFPTL-UHFFFAOYSA-N 459.572 1.624 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCC1 1690572069 RMBVXGFYTZGGPM-LJQANCHMSA-N 479.578 1.858 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1690661928 LMUJHTMTJJYDIL-HSZRJFAPSA-N 470.530 1.132 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1690669407 DOQLTCGFFCHESK-HNNXBMFYSA-N 471.562 1.439 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1690714351 KRARLEJLTAQYRA-UHFFFAOYSA-N 488.614 1.807 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1690723136 JAQSLKZUGJMDLE-PKOBYXMFSA-N 486.598 1.319 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1690727119 UBQWCEFSXNOHOM-MRXNPFEDSA-N 461.617 1.962 30 10 JDEE CC[C@H](C)c1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCS(=O)(=O)N(C)C 1694116461 HMVZJGHZOMBUMF-HNNXBMFYSA-N 476.607 1.747 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cccnc2)C1 1695945891 HGXYCTNPIOGFQA-FQEVSTJZSA-N 451.556 1.972 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCN1CCN(CC)CC1 1705485790 PQDQMRVMHXVSGN-FQEVSTJZSA-N 462.606 1.796 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1705563333 VKVPNBLQIOKQQU-AZUAARDMSA-N 460.556 1.386 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1705566574 OGMYYRPZZZTUJQ-RTBURBONSA-N 492.623 1.194 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1705567108 UAJZZAQSQDIERT-MOPGFXCFSA-N 492.623 1.058 30 10 JDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC2(OCCOC)CCOCC2)CC1 1705641104 QKWGCBYQQKRPPU-UHFFFAOYSA-N 454.575 1.231 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1705646910 SUFJUQHVTJVRPN-LJQANCHMSA-N 461.570 1.503 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC(F)(F)C1(OC)CCOCC1 1705667609 XWXVJKOWPKFPQN-MAUKXSAKSA-N 475.562 1.711 30 10 JDEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC1CCS(=O)(=O)CC1 1705884984 CMCDJJGOCOGWFG-UHFFFAOYSA-N 458.588 1.980 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C)C2)cc1 1705911641 MUBQQWSCTZWSHU-FXAWDEMLSA-N 477.587 1.449 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1705933830 SNVDXGKKONTFTO-MRXNPFEDSA-N 464.544 1.562 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCO[C@H]1C 1712442540 BAVYNOGOADDUAA-MHECFPHRSA-N 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C#CCN(c1nnc(C(C)C)n1CCc1cnc2c(Cl)cnn2c1)[C@H]1CCS(=O)(=O)C1 1740616906 ISIANZLTOWBGEC-INIZCTEOSA-N 461.979 1.967 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1740620828 YHROEELNGGMICW-AEFFLSMTSA-N 478.596 1.012 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1740624035 CWTJQOBOBWTKOJ-IBGZPJMESA-N 468.587 1.108 30 10 JDEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1740629388 LWHURQBIDDIVRQ-MIVHDCIWSA-N 495.646 1.837 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2CCCNC(C)=O)CC1 1740708083 BAJFYORUIPCOAL-UHFFFAOYSA-N 461.570 1.773 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(C)C)C(=O)C1 1740721257 CWWAXJNWPWGNBS-UHFFFAOYSA-N 460.629 1.941 30 10 JDEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740794112 PROXBULMYOTRKO-UHFFFAOYSA-N 466.586 1.697 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1740953443 GMHQYOQWPFHLEK-SJORKVTESA-N 479.379 1.733 30 10 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C#CCN(c1nnc(-c2ccccc2OC)n1CCS(=O)(=O)CC=C)[C@@H]1CCS(=O)(=O)C1 1286387315 PZDBWRQEOJMBTK-QGZVFWFLSA-N 478.596 1.181 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1286392249 IEAUQNQLPIPDPJ-RDGPPVDQSA-N 452.577 1.198 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(F)cccc1F 1286408336 CCGQOJBHMSFQHB-IBGZPJMESA-N 463.510 1.205 30 10 JDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1286432192 ALSUBKMMQSWKSO-HSZRJFAPSA-N 494.665 1.540 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@H](CO)O1 1286458149 LGFOGXSFVVXYGV-YSIASYRMSA-N 462.547 1.499 30 10 JDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1286596098 UREQNACDFUOJMI-IXDOHACOSA-N 494.618 1.103 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1286780823 IQJNYBLJQIPTLH-UHFFFAOYSA-N 482.495 1.832 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)[C@@H](F)C1 1286782168 MIOGVPMVPPPBQK-PBHICJAKSA-N 450.540 1.292 30 10 JDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1286789772 KWSKGNKRWSGKTO-HXUWFJFHSA-N 471.650 1.836 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ncccc2C#N)CC1 1286790375 NAMUDOQNFPNGEV-UHFFFAOYSA-N 491.581 1.165 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1300483928 PNTLVIKSMHITMA-MSOLQXFVSA-N 463.516 1.141 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300487836 MLUXKLSMKYMZQX-FPOVZHCZSA-N 474.631 1.267 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300490633 AEAIKZQKMMZYFZ-LJQANCHMSA-N 454.556 1.774 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C)CN2CCOCC2)CC1 1300703586 LQTWZMHAJMEXLP-NRFANRHFSA-N 452.603 1.601 30 10 JDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2CCN(CC)CC2)CC1 1300704015 YVMQIJAMYUHSCC-UHFFFAOYSA-N 456.664 1.417 30 10 JDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1300707065 VIXDMWQMUKKJLN-XMMPIXPASA-N 477.657 1.761 30 10 JDEE C#CCSCCn1c(N2CC[C@H](NC(=O)NC3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300777964 ILPINPAFFSUIGY-PGRDOPGGSA-N 462.620 1.725 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnn(CC)c1 1300871432 BWPTVXIMHQZCPQ-SZMVWBNQSA-N 451.597 1.722 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1301537440 ARLGDGUSEHVKDL-YVHKJVDXSA-N 480.562 1.888 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCSC(F)(F)F)C1 1301557200 NIXJFZKAXBUSGE-KGLIPLIRSA-N 485.554 1.645 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](OCC(C)C)C1 1301587050 XFCFVWWGUAXYBE-INIZCTEOSA-N 465.576 1.858 30 10 JDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1)N(C)C 1303735947 FUSKNIKMJAZQGS-OALUTQOASA-N 480.617 1.468 30 10 JDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1314537950 HBZVONPLPUJVOT-QFBILLFUSA-N 463.560 1.404 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1358871944 MFKWAVJLRGUMAB-IRFCIJBXSA-N 474.631 1.637 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCN2CCN(C(C)=O)CC2)c1 1358901211 CPBIEWPLHYUYQS-UHFFFAOYSA-N 488.596 1.504 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1358955465 MMSGMGIVUKLNSF-INIZCTEOSA-N 476.628 1.402 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1358962875 YPGXKQXXNPZBAQ-RTBURBONSA-N 459.572 1.202 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCOCC1 1359016788 LZGSSXHLEKWONF-FPOVZHCZSA-N 489.617 1.927 30 10 JDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1359058631 KVFQNMUXFYCLNW-UHFFFAOYSA-N 487.611 1.270 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](OC)C(C)(C)C1 1359228013 RJCDLCAVTHAIIB-IAGOWNOFSA-N 457.597 1.065 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1359293908 DBBGZJLSZHVZHF-UHFFFAOYSA-N 467.574 1.982 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1359333666 GADIRSFEZLDIIT-IBGZPJMESA-N 499.641 1.858 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1359334713 OKGYNZSZVAUUII-PKOBYXMFSA-N 459.572 1.215 30 10 JDEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1359340692 VVTAVTFSPDZJIK-QGZVFWFLSA-N 466.633 1.823 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1=O 1460003798 FYGGWTQXOZIDMF-UHFFFAOYSA-N 451.233 1.219 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 1464847875 LZQHXZAMGUPHTQ-OAHLLOKOSA-N 451.354 1.630 30 10 JDEE C#CCN(C(=O)CCC(=O)NCCNC(C)=O)[C@@H]1CCOc2ccc(Br)cc21 1465180039 UXXHYKHPVHAEAN-QGZVFWFLSA-N 450.333 1.767 30 10 JDEE CC[C@H](C)NC(=O)CCn1c(CC2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1496284495 GJKRLMNBQWABJA-INIZCTEOSA-N 453.595 1.776 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2cccc(Cl)c2n1C 1507539126 RJFXWILYZCRQHJ-PBHICJAKSA-N 492.005 1.657 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 1507631906 HCRQPQFRYGZWEX-LEWJYISDSA-N 484.626 1.750 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1507634775 MJSMVHZSCPQFNY-QFIPXVFZSA-N 478.578 1.897 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1507639179 WKDYLUVSSKOXCO-NCXUSEDFSA-N 498.671 1.258 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCO[C@@H]2CCOC2)CC1 1507737838 GFOGAEMPYINAEO-HXUWFJFHSA-N 452.559 1.810 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(C(=O)NC)c2)CC1 1507741104 UVABBMRJDFTKHS-UHFFFAOYSA-N 488.596 1.513 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC(=O)N(C)Cc2ccccc2)CC1 1507742156 BOYOLFOUWFQFEG-UHFFFAOYSA-N 485.592 1.888 30 10 JDEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1507858181 GLEUGMBMHBOOOU-OAHLLOKOSA-N 477.982 1.439 30 10 JDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)NC)C1 1507962607 URKDQVJXODVTKX-QGZVFWFLSA-N 465.558 1.747 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccc(F)cc1 1508039600 OTYMUXHNDWQLBO-HRAATJIYSA-N 452.552 1.866 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1508079330 QUDKESQVUMMZJK-CYBMUJFWSA-N 468.377 1.633 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1508092592 DAHNLWLPVDINEF-FQEVSTJZSA-N 485.564 1.041 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(O)(C(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1508096691 BPFXLGTYQDTTFM-SFHVURJKSA-N 461.485 1.515 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCC(=O)N(C)C 1509692949 HMRJNDOIZZXGNF-LJQANCHMSA-N 453.547 1.734 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccn(-c2ccc(F)cc2)n1 1510216830 DCDKAOFTDGHTLL-HNAYVOBHSA-N 488.549 1.185 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1CCCS(C)(=O)=O 1517126990 BDWBCGHUZZLOPA-UHFFFAOYSA-N 453.528 1.868 30 10 JDEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(=O)Nc4ccc(C#N)cc43)CC2)cc1 1535151501 BZOYMJJJTURPMF-UHFFFAOYSA-N 454.508 1.953 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1539211976 MCMORFAXACIPCG-GHTZIAJQSA-N 468.583 1.164 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1539229895 JJBCTGUHQMQNJR-ICSRJNTNSA-N 460.556 1.208 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1539453624 AYWAFAPCDUEQLR-OAQYLSRUSA-N 455.676 1.959 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC(=O)N(C)C)CC1 1539489899 ZRPVVCBDNUPKIS-UHFFFAOYSA-N 466.586 1.918 30 10 JDEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1539690848 QGPVZTAHZONMII-UHFFFAOYSA-N 488.976 1.691 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1539744140 CWWFMRCJEUMAOH-UXHICEINSA-N 473.622 1.345 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccc(F)cc1 1540071204 CMQPFQIIOPRHMS-YLJYHZDGSA-N 453.540 1.280 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1C[C@]1(O)CCS(=O)(=O)C1 1540121213 IKGOCGSMSHEYGE-JOCHJYFZSA-N 452.540 1.887 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOC 1540128021 IMLHDKIFCMUOOE-LJQANCHMSA-N 460.560 1.322 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnnn1C 1540136398 HLVUTAYIUOUKGL-LJQANCHMSA-N 490.565 1.120 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1540867336 RYHXYYLJZRYNGB-GOSISDBHSA-N 458.588 1.560 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1540873940 PKNTWUBYCFMXNW-HSZRJFAPSA-N 472.977 1.540 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1540874731 PYUHKNWMYIVKBU-OAQYLSRUSA-N 478.601 1.247 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1540902919 UGEKZUKEXKJCBA-WOJBJXKFSA-N 472.615 1.541 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)(C)C)C1 1540903237 BFSJKVLJWGICAV-IRXDYDNUSA-N 489.664 1.084 30 10 JDEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC(F)F)CC1 1541200255 AFJCDRVRRXCJDB-HNNXBMFYSA-N 483.520 1.503 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccnc(C(F)(F)F)c1 1541926930 AXGLLXOEEVHPBN-ZBEGNZNMSA-N 461.445 1.792 30 10 JDEE CCn1nccc1C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C(=O)NCCOC 1548372634 PAWQEJKUAQGEFL-IBGZPJMESA-N 478.475 1.887 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccnc(OC2CCOCC2)c1 1588174103 PTOHQAPRCBKNMP-UHFFFAOYSA-N 450.543 1.880 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1588314721 ONBVWQDHTFBNNW-KRWDZBQOSA-N 468.583 1.959 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C 1595171493 VNHNOVVNLNUWIE-NHCUHLMSSA-N 480.617 1.584 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1595577266 MZVDEZWUGQPCCA-UHFFFAOYSA-N 495.628 1.602 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCNC(=O)c2cccc(O)c2)C1 1595715600 ZDLQEVMNVBMFNY-FQEVSTJZSA-N 451.531 1.986 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(F)c2F)C1 1595730192 ULSKIFIMSQOHJB-MJGOQNOKSA-N 497.568 1.913 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1595812130 OBCGAULNZQBBMZ-UHFFFAOYSA-N 461.636 1.504 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC(C)(C)C1 1595883724 ACBDYQUYTABIIW-INIZCTEOSA-N 473.665 1.924 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1 1596172149 KNSCRRLLCQXQRD-CQLPTELBSA-N 474.525 1.400 30 10 JDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOCC1 1612657375 GINIQMNRXORPIZ-GOSISDBHSA-N 453.547 1.118 30 10 JDEE COc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)ccc1C 1619098084 HJMUKJRSBBLBON-KXBFYZLASA-N 462.576 1.572 30 10 JDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N1CCC[C@H](C(=O)OCC)C1 1622563169 IZGPUDAJVUDHKR-KRWDZBQOSA-N 457.593 1.841 30 10 JDEE CC#CCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1632872365 FYAOHKBAQQOMNF-UHFFFAOYSA-N 455.964 1.491 30 10 JDEE COc1ccc(C[C@H](CO)CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1O 1686341193 DWJVSKNBQFOQHE-VQTJNVASSA-N 452.511 1.524 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCCc2cnn(C)n2)c1 1689870380 MAOLSFTVSUSUDN-UHFFFAOYSA-N 456.514 1.553 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCN(CCN(C)C)CC1 1690039465 GZDRDYLMBABMRR-UHFFFAOYSA-N 486.628 1.657 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(-c2ccco2)n1 1690077667 TXWPRQQGOVPNKD-KRWDZBQOSA-N 476.584 1.835 30 10 JDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690185070 SGKOVZVNPPIGDQ-UHFFFAOYSA-N 498.609 1.159 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(-n2cccn2)c1 1690190033 JOUUHXNFAKERPC-HRAATJIYSA-N 454.560 1.509 30 10 JDEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690307349 YBGDMBUNUUKHQL-UHFFFAOYSA-N 468.558 1.474 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccnc(C)n2)CC1 1690464853 LZXZOEZKOUWFDB-LJQANCHMSA-N 490.634 1.392 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCC2CC2)C1 1690484868 GCEKKRIINRYZEM-RTBURBONSA-N 453.609 1.973 30 10 JDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)N(C)C 1690527006 IBJGTKKUWFYVBU-OAHLLOKOSA-N 458.585 1.100 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1690662302 YFFDNRSCSNMSPD-UHFFFAOYSA-N 463.542 1.399 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1690664307 OCIWQMDDJBCEHK-UHFFFAOYSA-N 450.499 1.817 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1690672926 IIJOZDBIXSFICL-GOSISDBHSA-N 453.503 1.449 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1690719507 NTABCSBDXXNLGS-UHFFFAOYSA-N 468.601 1.568 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@](C)(C(=O)NC)C1 1690720427 IUEUWGONNQOZTO-QFIPXVFZSA-N 475.571 1.280 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1690720430 IYYSSUDUUHVJOU-UHFFFAOYSA-N 457.535 1.802 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](Cn2cccn2)C1 1690724916 YXLSTENIXDRIPC-ROUUACIJSA-N 450.565 1.222 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(C)C)C(=O)C1 1690729230 JNQWJCBVOSQITO-UHFFFAOYSA-N 463.608 1.045 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CCC2)C1 1695954228 COXSQTRVVVQHHG-DRKIFQHWSA-N 476.628 1.636 30 10 JDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1697922383 GSVUTIYDGAMRLM-SANMLTNESA-N 495.628 1.739 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H]2COCCO2)c1 1705507299 XQZIETFXACWDEG-UYAOXDASSA-N 487.582 1.042 30 10 JDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCS(=O)(=O)C1 1705550930 BVWVKSBMMLZEBB-DLBZAZTESA-N 467.592 1.481 30 10 JDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCS(=O)(=O)C1 1705552965 QYZUYQPFFSOFQO-MRXNPFEDSA-N 451.593 1.897 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1705560702 JNWGMIAKWYGTKC-FIKGOQFSSA-N 479.628 1.817 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1705561869 VCRBTKKWOCADEO-HXUWFJFHSA-N 485.610 1.887 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1705569995 JGCSGBNZBFOTOM-DENIHFKCSA-N 464.563 1.422 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705571414 ZIQILUMILZOVRO-JJCDCTGGSA-N 463.629 1.438 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[S@@](=O)C(C)(C)C 1705576887 SMFYGERDVSCPJN-WJOKGBTCSA-N 475.640 1.815 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCS(C)(=O)=O 1705577987 BHRAMVKPWDXHRS-UHFFFAOYSA-N 451.346 1.834 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCN(C)CC(F)(F)F)CC1 1705636976 FJPXEDVEMSHTKG-UHFFFAOYSA-N 450.465 1.923 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2c(C)nn(C)c2C)CC1 1705645527 WPZSZTLIRFIXSS-VWLOTQADSA-N 483.617 1.683 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCN2CCOC2=O)CC1 1705650607 VBCXAZOJYVSUSX-UHFFFAOYSA-N 451.531 1.072 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(NC(=O)COC)CC2)nnc1[C@@]1(OCC)CCOC1 1705708024 WNQIAUFQJGPZAQ-UTSGNWPNSA-N 477.606 1.643 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1705737685 XWKHQSGIADQBRL-QUCCMNQESA-N 493.634 1.321 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(C)noc2C)C1 1705925937 WJKSBLCVDKAHDQ-AEFFLSMTSA-N 466.564 1.045 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1705935882 FXZSQXWUZSCKQQ-IBGZPJMESA-N 491.614 1.945 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C(=O)OC)C1 1705936730 XEEGDEFPWPRBOE-QAPCUYQASA-N 462.528 1.391 30 10 JDEE CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H](C)C1 1705995864 JZODHAOGDPSLJQ-ANEHGGCBSA-N 477.569 1.761 30 10 JDEE CC(=O)N1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H](C)C1 1705995944 LQJZBLIJBIXQHS-YIYXVTKBSA-N 455.563 1.594 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(CN2CCC(O)CC2)cc1 1706848887 HYUGBEGKKROROF-ROUUACIJSA-N 489.646 1.632 30 10 JDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)c1 1712686817 HMOWSYKGLNPQBF-KUHUBIRLSA-N 467.548 1.225 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(C)(C)O)c1)[C@@H]1CCS(=O)(=O)C1 1722360169 ZSXQKDPAMFHBAO-HXUWFJFHSA-N 485.610 1.417 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OC)c(OC)c2)CC1 1722431073 FLUIXBKKPKRYIH-UHFFFAOYSA-N 461.526 1.746 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(C(N)=O)CCOCC2)CC1 1722432758 CZNFMGRCUUTUFN-UHFFFAOYSA-N 476.379 1.073 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cccc3[nH]ccc23)CC1 1722444825 OSTSHZNDNPRGMP-QGZVFWFLSA-N 497.625 1.578 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1722446495 YBDKKRUHYHSRLA-UHFFFAOYSA-N 482.589 1.958 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1722617400 JJRFSVNVEWYVMZ-HXUWFJFHSA-N 494.662 1.806 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2N(C)CCCC2(C)C)C1 1722711443 UVPGFVYESVBTDF-KSZLIROESA-N 454.641 1.790 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1740589971 DQYXOLWRSUOBRX-VQTJNVASSA-N 495.552 1.881 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1740592048 SLWKXJAVQKLTRF-HNNXBMFYSA-N 477.509 1.372 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1740624475 HGIJSJQVOIUYGJ-SFHVURJKSA-N 459.963 1.441 30 10 JDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(CS(C)(=O)=O)cc1 1740641301 GXMJVZUQPBSIIY-UHFFFAOYSA-N 481.603 1.935 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC1 1740696275 PSKBQPSZAJDJTI-FQEVSTJZSA-N 499.641 1.514 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOC(C)(C)C1 1740761593 OOGDJLRRBUDYMF-ZCNNSNEGSA-N 481.663 1.708 30 10 JDEE C=C(C)COCCn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@]1(OCC)CCOC1 1740799355 JQFIRTMRVIDJKC-CVDCTZTESA-N 463.579 1.351 30 10 JDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1740885674 LUSYONPFFXOWEB-QGZVFWFLSA-N 457.535 1.517 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCc2cccnc21 1740941039 AEMDKUDTPJCVLF-WOJBJXKFSA-N 490.630 1.765 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(c2ccnc(C)n2)CC1 1740963940 BMLUPDUNZRAZPQ-UHFFFAOYSA-N 478.557 1.593 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1740986248 UKELQZBMVGBVIK-HZPDHXFCSA-N 484.623 1.367 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(C(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1740993782 IRXRGMYLSUUYRZ-OAQYLSRUSA-N 455.625 1.452 30 10 JDEE CC(C)C(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1741269018 FDJUQAHETCKJFT-UHFFFAOYSA-N 467.574 1.902 30 10 JDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1748170737 CDGMBICHVCUXGT-UYAOXDASSA-N 465.558 1.274 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc2ccccc2[nH]1 1748670854 CYRXYCNYEBIGLI-OXJNMPFZSA-N 456.572 1.793 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(Cl)c1 1748671430 JFPZMVGKCRCSEK-QAPCUYQASA-N 467.979 1.801 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCC(=O)N(C)C)c1 1748692722 MNUGNNAXHNPULV-SFHVURJKSA-N 451.531 1.154 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1ccc(C(N)=O)nc1)[C@H]1CCS(=O)(=O)C1 1748809607 OLUDWLUTFUEDPO-INIZCTEOSA-N 468.514 1.253 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1748820401 BEFNUZHAFUBELZ-HXUWFJFHSA-N 485.610 1.587 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1749597805 NBTIGTQHNZHKBC-OSPHWJPCSA-N 468.558 1.854 30 10 JDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCNC2=O)CC1 1749605985 FSOPNMWBZFMCTD-QHCPKHFHSA-N 453.547 1.598 30 10 JDEE C=CCn1c(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749646668 WLZOHHYBOPWBTC-OAQYLSRUSA-N 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C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCC2)CC1 1286486815 PQAJWLIAUHZRNG-UHFFFAOYSA-N 464.574 1.377 30 10 JDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286508357 HTPRGPSVVGVHAB-PXNSSMCTSA-N 457.556 1.498 30 10 JDEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NCCOC)CC1 1286631949 BLAXZSITSPUQAG-UHFFFAOYSA-N 454.000 1.271 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1286791143 NTJZJUNSMRBEQO-HKUYNNGSSA-N 492.602 1.410 30 10 JDEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286826653 OVLFEPMXWQXBGX-UHFFFAOYSA-N 485.570 1.700 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccs2)C1 1296348178 HFLIACGJOVLNOI-QGZVFWFLSA-N 473.584 1.752 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(OC)CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1300480057 XHFCDHYHOMHXGQ-DKTYTTGXSA-N 465.620 1.638 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(C(=O)N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1300496954 WSVHLYOPOZVKTK-ROUUACIJSA-N 463.604 1.057 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1300497275 XVTAEHJLJQPFSV-LSDHHAIUSA-N 454.503 1.439 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1nccnc1C 1300517236 ZGXRZSOQZQTWNR-UHFFFAOYSA-N 463.567 1.609 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1300578603 DMCFMQUIEXGZNP-SFHVURJKSA-N 476.512 1.952 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC)c1 1300579692 YIYQOFOJQXXWHT-LJQANCHMSA-N 456.568 1.903 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CC(=O)N(C)CC)CC1 1300707313 DPGUMMWZAAYSRB-UHFFFAOYSA-N 475.391 1.853 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CN(C)C(C)C)CC1 1300952507 XCBWFPVOQITZAD-LJQANCHMSA-N 454.641 1.744 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1301515158 QFLGRKVWUZFAKW-DEOSSOPVSA-N 470.574 1.469 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1301592943 GWGCOZBPLVKKKU-VQTJNVASSA-N 480.562 1.981 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1301634395 AQDSUMTUKYESHR-XDOYNYLZSA-N 464.530 1.314 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1 1301758343 GWOFVAXXRMYCNK-FTGFMQHASA-N 493.568 1.749 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(SCc3csc(C)n3)cc2)CC1 1302921926 ZFCRHMJMTGRLPK-UHFFFAOYSA-N 450.611 1.969 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCCS(C)(=O)=O 1358888309 KRZUGVASZXDEPG-QZTJIDSGSA-N 483.635 1.912 30 10 JDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1358911291 PSCKEIWKLGDFRS-SFHVURJKSA-N 452.563 1.938 30 10 JDEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1358934565 FWXDRGLMBMTAHM-UHFFFAOYSA-N 494.596 1.395 30 10 JDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccc(S(N)(=O)=O)cc1 1358940509 ABWLVBZKDLIBRX-UHFFFAOYSA-N 463.361 1.995 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358964019 RRTAKZIWNLWHET-MRXNPFEDSA-N 491.564 1.820 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(O)CCO[C@H]2C)CC1 1359035315 QNLCGTAZWXBSKL-UQBPGWFLSA-N 488.633 1.688 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(NC(C)=O)nc2)CC1 1359038497 YLNZSTXWHLNMMG-UHFFFAOYSA-N 478.582 1.427 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1359083027 ADUYPMUDKFYJJS-BMFZPTHFSA-N 474.425 1.246 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1359100213 YNIQTQVMWOCCGR-FYQPLNBISA-N 479.647 1.902 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCN(C)C(C)(C)C1 1359113828 RGHORPRSJGLJNS-IBGZPJMESA-N 483.683 1.039 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359203143 JHPGEAALFIOZSU-LJQANCHMSA-N 487.586 1.502 30 10 JDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1359226288 BMDJZYZSFOCCKC-IBGZPJMESA-N 454.531 1.490 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCc3nn(C)c(=O)cc3C2)cc1 1359306804 QUMXSKHSCGFILE-MRXNPFEDSA-N 499.597 1.158 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1359330650 YKNNTWKKIRGCFA-FXAWDEMLSA-N 463.579 1.842 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3cc(Br)cn3C)nnc2N(C)[C@@H](C)CC#N)CC1 1359400458 LYMRKVBURMFMKO-HNNXBMFYSA-N 477.411 1.949 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2csc3ccc(Br)cc23)CC1 1455115069 LJZBEJLLAWNIMB-UHFFFAOYSA-N 456.387 1.818 30 10 JDEE C=CCOc1ccc(CC(=O)NC[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)cc1 1467901642 STXGYGKMFUHJAV-HXUWFJFHSA-N 451.571 1.757 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccn(-c3ccccc3C(F)(F)F)n2)CC1 1476775044 ORGWROHNLLEUSL-UHFFFAOYSA-N 456.450 1.508 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCCCO2)n1CC(=O)NCC(F)F 1494135781 HIRPLYYFVGZNRC-HOCLYGCPSA-N 475.504 1.278 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1507623035 OGCPPDXJXFXDSW-KURKYZTESA-N 472.571 1.103 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cnn(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 1507632260 KGZDGWWUZVTMAR-RBUKOAKNSA-N 473.603 1.065 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCC(=O)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507635762 VDFXYTQRKVUKMS-OAQYLSRUSA-N 478.578 1.919 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCNC(C)=O)Cc1ccc(C)s1 1507831872 HHWQDLOSZNYOAY-IBGZPJMESA-N 496.659 1.700 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCOC(C)(C)[C@H]1C 1508085206 GEJJOPSMXQCHPI-MRXNPFEDSA-N 465.558 1.981 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1508095066 LBWLGRFEPJHKNI-UHFFFAOYSA-N 464.452 1.074 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC[S@](=O)CC)C1 1508115832 DEZBEBCPNYGPKT-RKXCMPKHSA-N 466.633 1.788 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1508136896 WDAPFUWSHOZYAU-OAHLLOKOSA-N 489.023 1.112 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1508137278 YOOKTNFSPJXUKA-AWEZNQCLSA-N 489.023 1.064 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1508144950 ZIYDMTMBNMIFRZ-IBGZPJMESA-N 484.582 1.531 30 10 JDEE Cc1cc(C)cc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)c1 1510574903 AJENURJGFWLHOU-DENIHFKCSA-N 476.578 1.913 30 10 JDEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC1 1515557253 CBYPCRKTVASPPY-UHFFFAOYSA-N 478.601 1.333 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCC2)C1 1516020772 AYSXPTQGOOYEQE-HXUWFJFHSA-N 457.604 1.821 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2cnn(C)c2)c1 1539038485 PQTUQJPNXWHZGS-UHFFFAOYSA-N 469.509 1.763 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CC(=O)N2CCOCC2)c1 1539042491 GVKXSWMNFNTNCO-UHFFFAOYSA-N 452.559 1.782 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539205734 JXVDJTARBOUKTF-VIZSFHNOSA-N 479.647 1.289 30 10 JDEE C#CCN(c1nnc(C)n1Cc1c(Cl)c(C(F)(F)F)nn1C)[C@@H]1CCS(=O)(=O)C1 1539206991 YNJBLMAXRWSUAL-LLVKDONJSA-N 450.874 1.667 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1539211345 HWHWLQQABXSWOX-SFHVURJKSA-N 487.582 1.115 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(C(=O)NCC)cc1)[C@H]1CCS(=O)(=O)C1 1539221027 NFIULYIZKOUDDB-LEWJYISDSA-N 485.610 1.944 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1539224930 KMQRUJXZOAQKPH-GCJKJVERSA-N 455.540 1.391 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1539324229 RCTZEWDQFUSTRM-OAQYLSRUSA-N 477.594 1.889 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)nn2C)CC1 1539488509 LABCBKNCQIVIPD-UHFFFAOYSA-N 472.553 1.785 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C[S@](C)=O)cc1 1539668691 CEZIXNMAFJIERW-CGKQSPDFSA-N 495.671 1.940 30 10 JDEE C=CCNC(=O)c1ccccc1NC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 1540575950 QPCDLFHWSKRSRA-UHFFFAOYSA-N 450.542 1.217 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1540858305 QCHHWCAROXDTKZ-LJQANCHMSA-N 495.627 1.240 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](COc2ccccc2)C1 1540858424 WKJOVNQRIZRPKH-RBUKOAKNSA-N 463.560 1.081 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1540862209 VHCLRJBZCIQDOA-UHFFFAOYSA-N 473.965 1.334 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1540908475 HKFRQLWCIHDDBR-KRWDZBQOSA-N 493.586 1.743 30 10 JDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(Br)cc2)CCO1 1555993080 HUZIRYIFUHSCRM-DOTOQJQBSA-N 480.388 1.914 30 10 JDEE CN(C[C@](C)(O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C 1559639775 APFISYZNIKJXDT-NRFANRHFSA-N 452.577 1.482 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1588055298 VEABXWCYIUHKIT-CVEARBPZSA-N 463.526 1.293 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588075069 WRYJXQBNVCQCCV-VQTJNVASSA-N 463.579 1.883 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(CO)CC2)cc1 1588180922 LRIBQYNVMFWBJU-HXUWFJFHSA-N 498.653 1.608 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(F)c1 1588233157 BTAQBUNVLBBMLM-FQEVSTJZSA-N 475.546 1.270 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(C)c(OC)c2)CC1 1588741945 LHVILPUONKOKDH-SFHVURJKSA-N 460.604 1.203 30 10 JDEE C=CCCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C(=O)NC)C1 1594812451 GAZPUXFTZZYSGB-RTBURBONSA-N 492.621 1.937 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCc2ccccc21 1594963000 OLLKWVWUNQGBAW-FQEVSTJZSA-N 460.604 1.686 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](NC(C)=O)C1 1595602802 RKIZUFDCKPFNAC-ROUUACIJSA-N 475.594 1.757 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC3(CC2)COC(=O)N3)cc1 1595607972 NPAMELWIKIWKJI-MRXNPFEDSA-N 490.586 1.580 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)c3cscn3)[C@@H](C)C2)ccc1F 1596463968 BHVPSIWGAPCSFJ-ZDUSSCGKSA-N 452.533 1.733 30 10 JDEE CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1597774409 GAUJKQPIZIOPSP-UYAOXDASSA-N 456.568 1.378 30 10 JDEE C=CCN(C(=O)c1cc(Br)cc(S(N)(=O)=O)c1C)[C@H]1CCS(=O)(=O)C1 1625389522 HUMHPJXCHUAMCL-LBPRGKRZSA-N 451.364 1.220 30 10 JDEE C=CCN1CC[C@H](N(C)CC(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OCC)C1=O 1645434980 OBHMVQZAHRSSHF-AWEZNQCLSA-N 450.561 1.592 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)c1cccc(O)c1 1689999882 KTEHGPPNXXIZMS-UHFFFAOYSA-N 457.494 1.524 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1690017623 HXEJKXRVMLAHNM-LJQANCHMSA-N 467.599 1.350 30 10 JDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1690034382 GBVHISXRUWWXKU-LGVFNWMJSA-N 489.642 1.597 30 10 JDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H](N1CCOCC1)C(F)(F)F 1690052626 NCRXGKWOYVCYHN-IBGZPJMESA-N 463.508 1.866 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690054578 BSADEXBIADEQPW-SFHVURJKSA-N 459.547 1.741 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccccc2)C2CC2)CC1 1690112367 WKCCTCKGDXGJSF-GHTZIAJQSA-N 456.616 1.837 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN(C)CC(F)(F)F)CC1 1690132111 HXQHQLVUSCWQLR-UHFFFAOYSA-N 469.537 1.519 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCn2cc(Br)cn2)CC1 1690146358 LWFXWJQUSILQNF-KRWDZBQOSA-N 490.406 1.797 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS(=O)CC1 1690239214 TYCGLXUCIQPQNJ-HKUYNNGSSA-N 464.613 1.899 30 10 JDEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690507246 IBDQLLMAPREICS-UHFFFAOYSA-N 453.591 1.986 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)NC(=O)OC(C)(C)C)C1 1690685696 BJYFDOIPUQTNOY-PMPSAXMXSA-N 472.612 1.583 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1690719185 HOBADXYIGMZKDM-MRXNPFEDSA-N 475.571 1.374 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCCN(C(C)=O)CC1 1690730093 VENIFYSHINLDJN-UHFFFAOYSA-N 465.551 1.656 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1705526165 GJQRSEKEWUOJLJ-JOCHJYFZSA-N 456.572 1.325 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1705567231 UWBYYBKKAUWMQK-AZUAARDMSA-N 492.623 1.598 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCN1CCC[C@@H]1C(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1705569769 HACRTTDNXBDAAR-VQTJNVASSA-N 492.690 1.436 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1705570651 RYLCLHQVHBKZEU-SIKLNZKXSA-N 460.625 1.558 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1705631833 ATRPWFXHKIXEBX-SFHVURJKSA-N 459.595 1.571 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCO[C@H]2c2ccccc2)CC1 1705633624 UTSJNLJLDQJWNK-NNWRFLSQSA-N 486.642 1.811 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCN(CC)C2)CC1 1705644762 BDVZGLTUYNTIKC-YADARESESA-N 458.607 1.238 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCCC(=O)N(CC)CC)CC1 1705647480 HKMRENAEHPIVPF-UHFFFAOYSA-N 497.600 1.620 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1705649081 JTJIQEKXPJYNIB-UHFFFAOYSA-N 458.588 1.596 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705737148 KZFWHTCKHZIPDH-SFHVURJKSA-N 474.587 1.130 30 10 JDEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705788924 RPOQIRAPOUSWMT-KRWDZBQOSA-N 498.584 1.720 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C(C)=O)CC1 1705895633 NFUYGOMIUIBWSZ-UHFFFAOYSA-N 465.327 1.817 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1705901531 OGNFWYUBTXYTQX-HZPDHXFCSA-N 461.567 1.367 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1705914847 QTMNSTSEDXWZBX-GOSISDBHSA-N 474.587 1.186 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(=O)N2CCOCC2)C1 1705917310 VYRIPQZOFLFLAK-LJQANCHMSA-N 488.976 1.502 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCc2ccc(OCC)cc2C1 1705938415 XSYIQQVJUWOBHI-UHFFFAOYSA-N 473.599 1.963 30 10 JDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1706021097 FNQTXHFXCDHCRU-PKTZIBPZSA-N 492.628 1.864 30 10 JDEE CC1(C)COCCN1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1706934651 DDEOWUVIRSNPIC-UTKZUKDTSA-N 450.609 1.421 30 10 JDEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1722330934 RDTLSULAXVBWAL-UHFFFAOYSA-N 470.961 1.519 30 10 JDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCOCCS(C)(=O)=O 1722357416 CMQLFBVBIIDCBQ-IYBDPMFKSA-N 455.581 1.179 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCO[C@@H]1CCOC1 1722380148 FXMQUXJHSVQWLU-LJQANCHMSA-N 460.538 1.943 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2C[C@H](COC)OC)CC1 1722437839 JHDIMUZAZKMQMM-LJQANCHMSA-N 479.585 1.482 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@]2(O)CCOC2)CC1 1722443748 NGDHTEZHDDBPRQ-VWLOTQADSA-N 499.568 1.088 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C)CCCC2)CC1 1722444795 NYBRKOFTGYOIBL-INIZCTEOSA-N 450.609 1.434 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCOC(C)(C)C2)CC1 1722446867 ANIONNUBTDAZAU-FQEVSTJZSA-N 458.607 1.249 30 10 JDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1722481584 DMQSQFFCYJIRJI-HNAYVOBHSA-N 491.438 1.966 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccc2F)C1 1722717490 BCHVDIAFPKXUGZ-QUCCMNQESA-N 479.578 1.774 30 10 JDEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(C(N)=O)CCOCC1 1724002246 HYFFIKCFOIAQRI-HZPDHXFCSA-N 458.494 1.568 30 10 JDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccccc2S(=O)(=O)N(C)C)CCOC1 1728794135 GIZDKDXFYADCFS-FGZHOGPDSA-N 492.577 1.671 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740624221 DWMHINCVBPMFOX-HXUWFJFHSA-N 469.611 1.850 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)CN2CCOCC2)CC1 1740692581 MGEFGMXUHLBNTO-KRWDZBQOSA-N 476.423 1.759 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1740717504 UNKIYNJSDXRTRS-SJORKVTESA-N 483.660 1.992 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nnc2n1CCCCC2 1740774404 SFFAXZKYCIFKAB-GOSISDBHSA-N 492.650 1.574 30 10 JDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1740930353 SBDJSUOFTPMYRE-UHFFFAOYSA-N 484.582 1.310 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1740991379 VMKVGLLUVQCKJP-ZNMIVQPWSA-N 452.499 1.929 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCCOCC1 1740995018 XMEGVLGDELQAFT-UHFFFAOYSA-N 488.658 1.470 30 10 JDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)Cc2ccccc2)CCOC1 1746733188 FCTOSSCJIGWKKW-UGKGYDQZSA-N 475.571 1.274 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)CCCO2 1748671044 GBVYUCZUOWEZKW-OXJNMPFZSA-N 459.572 1.442 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2c(CC)nn(C)c2OC)c1 1748689909 JWTKLIRGBBFVQM-UHFFFAOYSA-N 492.584 1.825 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccoc2)c1 1748692622 KCMWIIIBOGKJNU-GOSISDBHSA-N 453.524 1.878 30 10 JDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CNS(C)(=O)=O)CC1 1748745764 WTYVOMOMVWVEOK-UHFFFAOYSA-N 483.598 1.371 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(OC)ccc1OC(F)F 1748791570 VVNCXNFFFJLPJV-QGZVFWFLSA-N 485.513 1.339 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1748801882 INSABGSLNKPTFV-GOSISDBHSA-N 487.630 1.333 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748809722 PMYWGWQAGRTRDD-DENIHFKCSA-N 482.610 1.412 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1748810228 UPWOXLVNIKSDQO-HXUWFJFHSA-N 485.610 1.839 30 10 JDEE C#CCN(c1nnc(COCC)n1CCc1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 1748825351 XWTZJRINFYBJAM-SFHVURJKSA-N 460.556 1.455 30 10 JDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1748913006 NUOGYBFAXDMARD-JOCHJYFZSA-N 461.588 1.688 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1749038093 OICTZIAEQFYUCT-QFBILLFUSA-N 479.628 1.880 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1749114329 AEOOVHGNCQWKFJ-PZJWPPBQSA-N 464.574 1.991 30 10 JDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1)c1ccccc1 1749242142 DACFIKWWOBKABT-SJLPKXTDSA-N 482.632 1.120 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(N3CCCNC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749681755 IAKJAOZLCFWSOG-QHCPKHFHSA-N 475.594 1.005 30 10 JDEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1749689213 ARXZCJOWWOGGPW-SFHVURJKSA-N 469.571 1.866 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC=C(COC)CC1 1749730991 YFYRWXPSLKTVCD-UHFFFAOYSA-N 470.555 1.978 30 10 JDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)N1CCOCC1 1751121214 BDHORQZQUOZNME-GOSISDBHSA-N 487.630 1.398 30 10 JDEE Cc1cccc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCS(C)(=O)=O)n1 1751621363 DRRUBQQOIUPNGI-UHFFFAOYSA-N 452.544 1.286 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1cccc(OC)c1 1760118112 YCPCIFRDSQUBAD-PXNSSMCTSA-N 477.587 1.547 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1760184210 GVMLYVNBTSQUSI-KRWDZBQOSA-N 451.556 1.476 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1760191636 LAZUHEFRNOAGHX-GOSISDBHSA-N 469.571 1.223 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)N1CCOCC1 1760195346 ALLAXTPFQODJTA-GOSISDBHSA-N 469.615 1.340 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@H]1COCCO1 1760197446 XFMXKQDGSGTEKU-IBGZPJMESA-N 457.556 1.074 30 10 JDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1760306349 CAXYZDKREDAJNE-ZIAGYGMSSA-N 476.397 1.168 30 10 JDEE C=C(Cl)Cn1c(N(C)CCNS(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760388761 TYFLMYSXOIZUOL-OKILXGFUSA-N 463.004 1.787 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2cccc3c2[C@@H](CCC3)C1 1760548269 CCUOBJPWEPGGRD-LPHOPBHVSA-N 493.655 1.929 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1760548395 FRPOVMLEVAHADY-DLBZAZTESA-N 460.560 1.389 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1760554185 URGWCXWMKLSEOI-UHFFFAOYSA-N 496.593 1.917 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1760555199 ZRUKZOATPJTZGD-SJORKVTESA-N 450.492 1.723 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C)[C@H](OC)C1 1760556272 YNAPBYPXIHVMPP-AZUAARDMSA-N 489.646 1.914 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1760566170 NOIHTNXXMLSJCJ-KZNAEPCWSA-N 455.650 1.256 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1766703822 CJLUZXGFKKFJBM-GOSISDBHSA-N 466.995 1.923 30 10 JDEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1772543425 JNFXDLVSKGYXIK-MRXNPFEDSA-N 452.519 1.974 30 10 JDEE COc1ccc(/C=N/[C@H]2[C@H](OC(C)=O)O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1 1848435789 BPVDJXUNJWJXMH-IIJUYCQLSA-N 465.455 1.197 30 10 JDEE COc1cc(S(N)(=O)=O)cc(C(=O)N2CCC(COc3ncccc3C#N)CC2)c1OC 1891434535 FCTQPMSHCLLJLO-UHFFFAOYSA-N 460.512 1.549 30 10 JDEE CN(CCN(C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OCc1ccccc1 2255777742 INYIXXVPALDMKO-UHFFFAOYSA-N 492.407 1.608 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255843366 GGJYAIVWCRMALW-ZIAGYGMSSA-N 453.370 1.854 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2255953746 NGUODRHUNVZISR-KBPBESRZSA-N 474.410 1.306 30 10 JDEE CO[C@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCN(C(=O)OC(C)(C)C)C1 2256624042 UHSCCMGSPJAGJU-LJQANCHMSA-N 454.358 1.224 30 10 JDEE Cn1cc(C(=O)NCCOCCCNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267188732 QCHWSSYTCHTYEY-UHFFFAOYSA-N 452.361 1.381 30 10 JDEE 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JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1300683772 SRSVKSVEKZXFID-KRWDZBQOSA-N 475.619 1.264 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H](OC)C(F)(F)F)CC1 1300712158 NNCVHFXZUKWXCQ-MRXNPFEDSA-N 493.490 1.859 30 10 JDEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1300938718 GGVZFEASUQUZJX-CYBMUJFWSA-N 463.311 1.570 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1301187910 DPLAFHFZKAGSNK-UXHICEINSA-N 493.634 1.378 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCNC(=O)C2CC2)C1 1301557430 OXTGRPNPTHPVHM-RTBURBONSA-N 490.605 1.894 30 10 JDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(=O)NCC)CCC1 1358949930 RRTSWXKSFXHAPI-QGZVFWFLSA-N 460.579 1.962 30 10 JDEE C#CCN(c1nnc(-c2ccc(Br)s2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358958126 IEEPMDLLVMCMIS-GFCCVEGCSA-N 486.417 1.484 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(C[S@@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1358960978 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C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCCN2CCC[C@@H](C)C2)CC1 1359029107 OPTZQSJCLIXSKO-WOJBJXKFSA-N 465.668 1.156 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1359030957 LHZHFOAYZABJBT-RBBQXQBVSA-N 471.627 1.612 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1359031047 OJKBTMDPWPPBQD-GOSISDBHSA-N 494.568 1.726 30 10 JDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(=O)NCc2ccco2)CC1 1359037731 VDIMULUMEBBXQZ-UHFFFAOYSA-N 462.554 1.737 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC[C@H]2COCCO2)CC1 1359043009 CLKCWLHHSPEIDK-IBGZPJMESA-N 453.543 1.725 30 10 JDEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359048241 JTTAWLQBGJWFOI-GOSISDBHSA-N 488.017 1.784 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCO[C@@H](C)C2)CC1 1359048586 WERGSEQPJIVLME-QIJZPMMNSA-N 459.591 1.783 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cc2)CC1 1359049412 OPCMQTAVWZMVSN-INIZCTEOSA-N 466.608 1.720 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H](OC)C1 1359085005 YMAMNNPLHFEUAJ-CFVMTHIKSA-N 478.413 1.381 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)C)C1 1359099223 LHWJFYUFRCUBQA-FYQPLNBISA-N 483.635 1.453 30 10 JDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(=O)NCC)CC1 1359120664 QTPOARHUASGMEF-UHFFFAOYSA-N 460.608 1.072 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCO2 1359271950 HHNALUKHNWMPKZ-LJQANCHMSA-N 461.544 1.566 30 10 JDEE C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1)N(C)C 1360580957 BAJRNZDVTNBIRM-QGZVFWFLSA-N 454.554 1.688 30 10 JDEE C=CCOc1c(Cl)cc(CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1OC 1461892141 MIXJCCRQYORCSJ-UHFFFAOYSA-N 459.012 1.523 30 10 JDEE N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)Cc2ccccc2)C1 1505311621 CGAFQSKUTRJGJA-OAQYLSRUSA-N 460.535 1.571 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1507623846 YECIAIIKGLNAPE-KRWDZBQOSA-N 466.523 1.306 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)c2cccc(OC)c2)CC1 1507731172 CGWATWVGISVBDR-NRFANRHFSA-N 452.559 1.714 30 10 JDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1N1CCOCC1 1508035899 GTNSPKLABDPTEM-UHFFFAOYSA-N 455.563 1.433 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1508137373 ZMWBXASTIJHOFG-HTAPYJJXSA-N 457.556 1.802 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(C(F)(F)F)CC1 1508163019 SYJCTFRWSSNNEK-CYBMUJFWSA-N 454.540 1.993 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(=O)N(C)C)CCCC2)C1 1516022176 DSXURKPJWYFLRV-HXUWFJFHSA-N 499.641 1.983 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[C@H](O)C2)c1 1539039216 ZSQGCXPQLQMOKU-QRFRQXIXSA-N 488.614 1.496 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1539206380 OJVYYINYACTKTK-SFHVURJKSA-N 487.582 1.115 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1539210219 BVIJWYQBSIYOJN-SFHVURJKSA-N 487.582 1.463 30 10 JDEE C#CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CCCC)[C@H]1CCS(=O)(=O)C1 1539215628 HHPDKZLDLZUUBI-INIZCTEOSA-N 464.617 1.665 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CCS(=O)(=O)N1CCSCC1 1539251576 JPUZXKCIYUULSB-UHFFFAOYSA-N 480.619 1.945 30 10 JDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1539273274 NDQQEEZQILPXEN-NRFANRHFSA-N 460.538 1.639 30 10 JDEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1539603777 XYNAPJYRFHNQOO-UHFFFAOYSA-N 478.380 1.174 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(S(=O)(=O)CC)CC1 1539616335 PRPSGDIRWUEUJB-RYRKJORJSA-N 489.664 1.273 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCNC(=O)c2cccs2)CC1 1539890072 ITIFIVGOTJSFED-QGZVFWFLSA-N 494.643 1.505 30 10 JDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1539952809 JYDWHDJHJFYHFC-KRWDZBQOSA-N 475.623 1.485 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC2CCCC2)nc1 1540072021 JBJFOKXCWIPLOG-LJQANCHMSA-N 476.603 1.998 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)N1CCSCC1 1540142387 KDLOHKQIBILQHN-QGZVFWFLSA-N 496.684 1.862 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1540867564 ZRYIFHRDDIFASQ-LJQANCHMSA-N 490.612 1.832 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](CNC(C)=O)C2)cc1 1540877768 FGEAYTDSHQKUPY-VQTJNVASSA-N 454.531 1.184 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCC(=O)N(C)C)C1 1540890107 ZPQMKKNXEFUYCF-MRXNPFEDSA-N 451.531 1.452 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)(C)C)C1 1540903238 BFSJKVLJWGICAV-SJORKVTESA-N 489.664 1.084 30 10 JDEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)CNC(=O)C2)S(C)(=O)=O 1547573025 CWGCJMCMZYZLAV-UHFFFAOYSA-N 485.614 1.595 30 10 JDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCOC1 1547858693 AYLGRGCPYPRUMU-GPMSIDNRSA-N 460.501 1.789 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](CO)Cc2ccc(C)c(Br)c2)C1=O 1569200540 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492.690 1.917 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2cccc(C)c2)C1 1760543238 NVWBVVFPTWYRLR-WOJBJXKFSA-N 473.599 1.700 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1760550804 JQMIHVXRSGKATC-LJQANCHMSA-N 482.628 1.958 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1760552076 BAIDRDMFZLMPDU-SFHVURJKSA-N 463.579 1.986 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1760553086 LCYDYOURAMWDGG-BGYRXZFFSA-N 478.571 1.903 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccnc(OC2CCOCC2)c1 1761462897 BRWUIEXVFACJBS-CVEARBPZSA-N 477.591 1.628 30 10 JDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCC[C@H]2C)CC1 1767837620 ATVLMGAXOYVTPZ-UZUQRXQVSA-N 453.547 1.741 30 10 JDEE C=CCOC(=O)[C@@H]1O[C@@H](OC(=O)C(C)(C)CCCOc2cc(C)ccc2C)[C@@H](O)[C@@H](O)[C@H]1O 1848433369 SQWCELLFUXRDOB-YWQQVWADSA-N 466.527 1.569 30 10 JDEE CCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 1869929859 OOYLVUJXIIRUIW-IBGZPJMESA-N 484.578 1.967 30 10 JDEE CC[C@@H](C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(S(N)(=O)=O)cc1 1869934509 KAGRENNALHNZDX-SJKOYZFVSA-N 450.542 1.426 30 10 JDEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CN1CCN(c2ccccc2)CC1 1870582377 ZOTZILTVVNWQCA-UHFFFAOYSA-N 452.555 1.594 30 10 JDEE C#CCOc1cn(CCN2CCOCC2)c(CNc2ccc3c(c2)C(=O)N(C)C3=O)cc1=O 1871004343 ARUJYLXXWNBGDX-UHFFFAOYSA-N 450.495 1.030 30 10 JDEE Cn1c(=O)c2cc(C(=O)N3CC[C@@H](Oc4cc(C#N)ccn4)C3)n(Cc3ccccc3)c2n(C)c1=O 1890467106 RJJSGWLZJHMKLQ-LJQANCHMSA-N 484.516 1.647 30 10 JDEE C=CCC1(C(=O)NC[C@@H]2[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2218601512 YVPUGYGOHLWMIR-OAGGEKHMSA-N 455.552 1.257 30 10 JDEE C=C(CS(=O)(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC)B1OC(C)(C)C(C)(C)O1 2255955110 IVANPLKWMQRVGU-AWEZNQCLSA-N 462.374 1.550 30 10 JDEE CO[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1CN(C(=O)OC(C)(C)C)C1 2256664975 HXEDFQCCIAKBIT-LBPRGKRZSA-N 454.358 1.080 30 10 JDEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267170495 WKKLTNXMTNCWDY-CABCVRRESA-N 464.397 1.857 30 10 JDEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267217269 FHEJBRMFWXYLCK-OLZOCXBDSA-N 467.401 1.195 30 10 JDEE C[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2267372364 NFMJRPMKLXDRMW-ZDUSSCGKSA-N 488.437 1.696 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CCCN(Cc2ccccc2)C1 2267375371 GOFKSFMJCIEZOT-SFHVURJKSA-N 460.409 1.662 30 10 JDEE C=C(CS(=O)(=O)NC1CC(NC(=O)OC(C)(C)C)(C(=O)OC)C1)B1OC(C)(C)C(C)(C)O1 2267467206 BGLQEVGWRKJKKL-UHFFFAOYSA-N 474.385 1.692 30 10 JDEE C[C@@H](C[S@](C)(=O)=NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267504254 QANJLHBGIUZGEU-PVDMYPHGSA-N 470.401 1.871 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2COCCN2C(=O)OC(C)(C)C)n1 2267504320 QUNKUMJILVKBRN-AWEZNQCLSA-N 450.345 1.085 30 10 JDEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2267539888 UFLIZZXYTVVRGA-UHFFFAOYSA-N 467.759 1.746 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](NC(=O)C(F)(F)F)[C@H](C)C2)n1 2281994325 NPNQJICPAPHKRS-OCCSQVGLSA-N 458.290 1.731 30 10 JDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@]1(CNC(=O)OC(C)(C)C)CCOC1 2282038391 IGHZHTQKQABMEV-QFIPXVFZSA-N 464.372 1.475 30 10 JDEE Cn1nc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)cc1B1OC(C)(C)C(C)(C)O1 2282054103 MCMKSSXOPNEAGU-HUUCEWRRSA-N 464.372 1.067 30 10 JDEE Cc1ccc(S(=O)(=O)NC2(CO)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282314775 FEIPAPHATINTDO-UHFFFAOYSA-N 482.408 1.554 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC1(C)CCN(C(=O)OC(C)(C)C)CC1 2282325087 ZEWDLWFIWXBKEJ-UHFFFAOYSA-N 485.416 1.182 30 10 JDEE Cc1nc(S(=O)(=O)N[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1C 2282510082 UJGPNZZBYUEMGO-SPLOXXLWSA-N 482.412 1.315 30 10 JDEE C[C@@H]1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@@H]1NC(=O)C(F)(F)F 2282576742 VFEGYUOWCRTGAB-YRGRVCCFSA-N 458.290 1.637 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@H]3CC[C@@]3(NC(=O)OC(C)(C)C)C2)n1 2282838326 MTZXBMBUIYTJSD-SPLOXXLWSA-N 482.412 1.397 30 10 JDEE CC(C)(C)OC(=O)N1CC(CO)(NS(=O)(=O)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282844367 CFECZDFBSDJHRN-UHFFFAOYSA-N 482.408 1.387 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@@H](OCCNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2289953899 CMBKJEOSBHLSCU-OAHLLOKOSA-N 464.372 1.855 30 10 JDEE CC1(C)OB(c2cc(=NCCn3cnc(I)c3)[nH]cc2F)OC1(C)C 2345739631 SWNMUWJVCNPWJD-UHFFFAOYSA-N 458.084 1.855 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2359390843 VVUCRRQOKMANAV-XOKHGSTOSA-N 463.340 1.051 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2362339111 VORKYPPNERUNMF-ZNMIVQPWSA-N 462.356 1.083 30 10 JDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)Nc3ccccc3C(=O)OC)cc21 586273636 IEGAQXMVXSXPAI-XIFFEERXSA-N 470.503 1.955 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)CC1 758661220 GWWTWJVPFBOQIV-UHFFFAOYSA-N 499.431 1.294 30 10 JDEE COC(=O)c1ccc(C=c2c(=O)oc3n2-c2oc(N)nc2[C@H](c2ccc(C(=O)OC)cc2)C=3C#N)cc1 1084016753 WNEJZIXFWFTPQO-LJQANCHMSA-N 498.451 1.222 30 10 JDEE N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@H](S(=O)(=O)N4CCOCC4)C3)o2)cc1 1127972821 AZKMEYIMQZHQDG-FQEVSTJZSA-N 459.524 1.997 30 10 JDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286335839 FFAMKRWRRYXYKK-UHFFFAOYSA-N 452.607 1.688 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC(=O)N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1286389542 MCRUXBXZQKRDCG-IBGZPJMESA-N 473.603 1.098 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccnc(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1286394923 QEQJVKYLYIRLRV-JKSUJKDBSA-N 467.498 1.453 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(C)cc1 1286430927 LHEISXFYRNBUTJ-OAQYLSRUSA-N 471.583 1.461 30 10 JDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1286596099 UREQNACDFUOJMI-ZACQAIPSSA-N 494.618 1.103 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1286711648 NZJMRBZHYDIKBP-IBGZPJMESA-N 471.587 1.366 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccccc2CC1 1286820957 WLQFYYIMUBATIA-LJQANCHMSA-N 464.613 1.386 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@](C)(O)c2ccccc2Br)c1 1297023385 GHEQMTUFTZGBHB-LJQANCHMSA-N 451.342 1.998 30 10 JDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1299235872 HBHUTJYFMDXHMC-SFHVURJKSA-N 469.546 1.683 30 10 JDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCOc1ccc(S(C)(=O)=O)cc1 1300432956 SVQQRUABWWIMSV-UHFFFAOYSA-N 454.512 1.477 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1300482409 FEWPOWSZAUPQEQ-PKOBYXMFSA-N 479.628 1.066 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CC)s1)[C@H]1CCS(=O)(=O)C1 1300495871 KGHAYSMVZMIOMK-CVEARBPZSA-N 482.653 1.479 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2csc(COC)n2)CC1 1300711123 STZAPXHTOWIRCT-UHFFFAOYSA-N 471.587 1.131 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1300716860 SYRIXIHDNHUPFN-XDHUDOTRSA-N 453.543 1.459 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2CCS(C)(=O)=O)CC1 1300731644 RDKVBEGNTOZXPA-UHFFFAOYSA-N 473.599 1.430 30 10 JDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)CN2CCCC2)CC1 1300899100 BPABEMVMVRMDHV-FQEVSTJZSA-N 481.601 1.756 30 10 JDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(=O)N1CCOCC1 1301421206 QSNVRUPYVGJEKX-UHFFFAOYSA-N 457.531 1.604 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1301499725 DWJVTESQWPKGGM-MOPGFXCFSA-N 480.635 1.653 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](NC(C)=O)C1 1301520354 WZBWXAFMPABAIN-KRWDZBQOSA-N 458.588 1.986 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(NC(=O)COC)CC2)cc1 1301520776 OTLRXLAWTCVMET-UHFFFAOYSA-N 482.585 1.859 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCC(C)CC2)C1 1301555500 CIWWSPPVMYNAOU-VQTJNVASSA-N 482.651 1.124 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1301586023 HHYHRCLKARRAPT-UHFFFAOYSA-N 462.576 1.527 30 10 JDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2CCNS(=O)(=O)Cc2ccon2)C1 1302977664 BSXLILCHKJRPPN-MAUKXSAKSA-N 453.500 1.069 30 10 JDEE COCc1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1315855620 GRGRNQGMFMLZBY-OFNKIYASSA-N 488.614 1.936 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(SCC)c1 1358890212 MLYBPZOASCMYPU-DOTOQJQBSA-N 464.617 1.624 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1358955024 CGTRIYUYCVIWQV-KRWDZBQOSA-N 481.538 1.004 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1358956821 LDQDXODGNAJLDC-YJBOKZPZSA-N 487.561 1.853 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1cnn(CCOC)c1)[C@@H]1CCS(=O)(=O)C1 1358959665 NJWQKHBQDVFQRI-HXUWFJFHSA-N 468.583 1.771 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1358967148 FDYFSKGGQNKLSZ-JPYJTQIMSA-N 490.582 1.298 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1nc(C)no1 1358979396 LABDWXMBJDDTBD-SFHVURJKSA-N 469.546 1.984 30 10 JDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(S(C)(=O)=O)cc1 1358981919 CBKSQOFXQFUSLA-UHFFFAOYSA-N 467.576 1.794 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1358985526 AUYNSBFLVQZPDT-HTAPYJJXSA-N 460.531 1.570 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CC(C)C)c1C 1358994161 GKEMIVJFMHKCGZ-OAQYLSRUSA-N 487.630 1.283 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC1(F)F 1358994835 XLVLTFJDFQKGSB-MSOLQXFVSA-N 469.558 1.899 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCC(=O)N(CC)CC)CC1 1359044009 RDWUHZNCRPSIKZ-UHFFFAOYSA-N 451.575 1.955 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1359048661 YGYIOYXATGNARQ-MRXNPFEDSA-N 476.628 1.725 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccccc1 1359113267 DLRGPFHSYLHHBE-SIKLNZKXSA-N 463.604 1.921 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1359297590 VQFBOGXAVUFDHE-SFHVURJKSA-N 454.575 1.945 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1359297810 CPUOIXXMQNLKBZ-UHFFFAOYSA-N 457.542 1.621 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](CN2CCOCC2)C1 1359302282 BGPRGMOEPOUGOH-IBGZPJMESA-N 454.575 1.338 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@H]1C 1359305792 MVUBBQCATIUUFH-AEFFLSMTSA-N 475.594 1.709 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@H]2COCCO2)C1 1359314789 HYAFUFSMIBDRMA-OALUTQOASA-N 462.572 1.935 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1359333096 OBWOVROFARFPRK-SFHVURJKSA-N 494.017 1.999 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1359337359 POPNYFPUWVLKSO-MRXNPFEDSA-N 494.643 1.476 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC[C@@H]1C 1359342961 IWKGDDOBEILIKD-HOTGVXAUSA-N 459.638 1.534 30 10 JDEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)O)C[C@@H]2C)CC1 1359399443 PXLMAZHLGBAUSI-UWJYYQICSA-N 451.575 1.576 30 10 JDEE C#CC[C@@H](CCOC)NC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1468945843 GIUCIYGEAQQVOX-INIZCTEOSA-N 453.561 1.585 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2CNC(=O)OC(C)(C)C)CC1 1477208769 NYKNBRXHGQCMLD-UHFFFAOYSA-N 451.549 1.328 30 10 JDEE CCCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)C(=O)NCC)c2ccccc2c1=O 1501078624 HZSCFWBISHHEAG-KRWDZBQOSA-N 492.584 1.956 30 10 JDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(NC(C)=O)nc2)CC1 1504531197 HOWMDLHLNSIICY-UHFFFAOYSA-N 474.525 1.513 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2COc3ccccc3O2)n1CCC(=O)N1CCOCC1 1504887716 DFYDNUDBFAKMIT-HXUWFJFHSA-N 470.530 1.406 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C(N)=O)nc2)c1 1507548629 ULVXOHPICMTTSL-UHFFFAOYSA-N 486.536 1.113 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(COC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507630926 ACUCUUXQQUCJOT-RBUKOAKNSA-N 498.671 1.404 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cccc(F)c2F)CC1 1507736226 MNJARHULUQSEGQ-OAHLLOKOSA-N 494.568 1.375 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)NC(C)C)CC1 1507741074 KOEHWHYACLQNKJ-UYAOXDASSA-N 458.607 1.687 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1507741182 WGKYHOOWJPKDID-FQEVSTJZSA-N 493.568 1.120 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1507832326 YTGHQLREJKSZTL-AZUAARDMSA-N 490.630 1.843 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1507913776 BNCRRQKQFXBCSO-JKSUJKDBSA-N 461.654 1.894 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1508072421 PVTZRQJDKVKOGX-YJBOKZPZSA-N 476.965 1.404 30 10 JDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1508079879 GDEKFBVLMKDWGH-INIZCTEOSA-N 456.572 1.752 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@](C)(O)C1CC1 1509686710 CFYNDXNZSWUGFN-XMMPIXPASA-N 451.575 1.771 30 10 JDEE CC(C)NC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](C#N)C1 1509753391 FATLEZBRJFHKJW-KRWDZBQOSA-N 461.567 1.646 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccc2F)n1CCS(C)(=O)=O 1512364109 CKYVMJYTRDXEIU-HNNXBMFYSA-N 470.534 1.506 30 10 JDEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 1517331548 ICNKCINJXNEGBP-UHFFFAOYSA-N 496.660 1.523 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1539206386 OKEAMIQHDBCDNM-UXHICEINSA-N 489.554 1.676 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1539212717 RUJVWMNMPOBLJM-XMSQKQJNSA-N 462.572 1.368 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCS(=O)(=O)C1 1539220685 UUURRRGPFBKMLG-JVMRMLDLSA-N 474.587 1.020 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCc2n[nH]c(C)n2)CC1 1539441896 YPGQLAGSBVNXLK-UHFFFAOYSA-N 450.547 1.777 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccc(C)c1 1539539036 OAWZANTVLQUCES-VGOFRKELSA-N 458.588 1.619 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1539615683 KMVLDSSDMKDSLU-WLENULPWSA-N 453.547 1.869 30 10 JDEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(S(C)(=O)=O)CC1 1539779453 XRPAKOUPVVFPEO-UHFFFAOYSA-N 463.789 1.880 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cc[nH]n1 1540136686 JONBHMFNRRORQB-QGZVFWFLSA-N 487.561 1.665 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1540862565 FFXDYKNLLIOZHG-HOTGVXAUSA-N 481.648 1.135 30 10 JDEE CCCNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1547241241 GXNOFBFGASFZSU-FQEVSTJZSA-N 464.574 1.339 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC=CO2)c1 1587693926 XNOVUAFAQNHFAK-QUCCMNQESA-N 469.567 1.929 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1588045674 OKRATEAEBSFETK-VGOFRKELSA-N 462.572 1.368 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)Cc1ccccc1 1588385770 JYJJCCKTIJNOLG-HXUWFJFHSA-N 460.604 1.203 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nc(C)c(C)s2)CC1 1588885767 YYGAZTGIMWTCDN-UHFFFAOYSA-N 455.588 1.602 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1588930069 MRORYYMWLHYTJL-HOYKHHGWSA-N 455.534 1.795 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1589481873 DFZZJAUKKQDALV-AZUAARDMSA-N 481.605 1.638 30 10 JDEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1594813138 PBTPWQZXCISARD-MBOZVWFJSA-N 458.515 1.744 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1595506971 RZTQIFOLESTNMX-UHFFFAOYSA-N 492.602 1.125 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1595516913 LRNXPYRTHXMQRP-XMMPIXPASA-N 468.558 1.761 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1595569184 BNHVWFACPCURBS-UHFFFAOYSA-N 476.585 1.799 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1595766716 WODDGBGWXWXIPQ-SFHVURJKSA-N 483.392 1.495 30 10 JDEE CC(C)(C)NC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC1 1597440689 HPGNPJWGPRRLAJ-UHFFFAOYSA-N 494.600 1.885 30 10 JDEE CC(C)N1CCC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)CC1 1608067584 HRFLRVJVSYJLJL-UHFFFAOYSA-N 490.630 1.445 30 10 JDEE COC[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1619572377 AIDJYKGLYQLRQI-KRWDZBQOSA-N 461.530 1.801 30 10 JDEE N#Cc1ccncc1N1CCN(C(=O)CN2C(=O)COc3cc(Br)ccc32)CC1 1625326561 AYQHZDGIVRPQAK-UHFFFAOYSA-N 456.300 1.790 30 10 JDEE Cc1nc(S(=O)(=O)N2CCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cn1C 1652699724 AQIXWAPXFVJUOE-UHFFFAOYSA-N 450.952 1.589 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC2(O)CCS(=O)(=O)CC2)c1 1689870741 YVJPCGNJSBUCPT-UHFFFAOYSA-N 496.593 1.280 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689978417 VCGNHSSSWHEFEA-WOJBJXKFSA-N 478.663 1.698 30 10 JDEE C#CCN(c1nnc(CSc2ccccc2OC)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1689998742 VDVQJFCLHHZLSE-MRXNPFEDSA-N 477.612 1.342 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccnc1)C(C)C 1690077245 LKKMRDBJEZXMLG-WOJBJXKFSA-N 460.604 1.905 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1690142970 YRLJAEVTCOEOEJ-LJQANCHMSA-N 492.559 1.128 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)N2CCCCC2)CC1 1690146384 MJGMWRBPXHSNNP-CTNGQTDRSA-N 490.674 1.411 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccsc2)CC1 1690155758 NZKRXGWQNLKLSU-MRXNPFEDSA-N 468.674 1.638 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1690288183 LKYRINOZUJDMRT-FQEVSTJZSA-N 488.614 1.586 30 10 JDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)c1ccccc1 1690322021 RRYKAHQVIUEZQJ-YTQUADARSA-N 458.588 1.659 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)C2CC2)CC1 1690464586 GDQAHEYTIDYVBC-LJQANCHMSA-N 480.635 1.462 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1690508639 MFOHCUFABJAHAN-JKSUJKDBSA-N 465.542 1.846 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1690711818 ISTBCURKSUXFAB-IRXDYDNUSA-N 479.628 1.876 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCO[C@H](C)C1 1693578224 CVVLNMMACKQVQO-ZIFCJYIRSA-N 488.618 1.297 30 10 JDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1705531748 UZNIEHHYPOHQGM-IBGZPJMESA-N 458.588 1.693 30 10 JDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1705557274 RWEAKBYNPMJCBG-HXUWFJFHSA-N 456.616 1.147 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705563732 DJFWPMJAIWDGOU-OAQYLSRUSA-N 468.583 1.166 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1705566231 MMMDKKNFQCBAJK-LJQANCHMSA-N 459.620 1.427 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1705580688 ONRZPKRXSAFZBI-UHFFFAOYSA-N 492.605 1.963 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ncccc1Cl 1705588283 BFPOVTQGWZFTQA-HNNXBMFYSA-N 450.952 1.479 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CF 1705620283 PTDWFQSLJWTXTE-QXAKKESOSA-N 465.526 1.920 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1705626787 JEYBHZSHVWLRPO-MRXNPFEDSA-N 470.555 1.505 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(N(C)C)CCSC2)CC1 1705632578 VDBXBVYNFMGQQF-JOCHJYFZSA-N 454.604 1.118 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCC(F)(F)C2)CC1 1705633311 OEGFVKBGDXHSMM-SJORKVTESA-N 458.579 1.859 30 10 JDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(S(C)(=O)=O)CC1 1705659002 IPBRELSXFGOJSO-UHFFFAOYSA-N 451.574 1.386 30 10 JDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1705757942 DLSUUZPAFIDIBV-QGZVFWFLSA-N 464.014 1.722 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)COCCO1 1705868167 DKGOBCWKTCKWPX-RXVVDRJESA-N 497.643 1.671 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705896269 HJXCDPHCBCOYDW-LLVKDONJSA-N 474.406 1.695 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1705930388 MFHLFVZGPGMYRE-HNNXBMFYSA-N 495.005 1.129 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1705937354 RAOIQYXGMMBBCF-WOJBJXKFSA-N 457.600 1.912 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Cn1cccn1 1706747015 HKIZKYBMUNWWBU-RXVVDRJESA-N 498.613 1.642 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)C(C)(C)C)c1 1722309152 JWHPAHRHIQRBCU-UHFFFAOYSA-N 483.598 1.948 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1722325498 MDGZWCNCRNFSPW-UHFFFAOYSA-N 493.593 1.583 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1722332293 HZMNGRFVJTXMLN-KRWDZBQOSA-N 457.556 1.262 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722358391 GRYNEHXMLBVODK-QGZVFWFLSA-N 451.593 1.392 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1722369408 YWXQHMVBMZMBJT-HZPDHXFCSA-N 462.601 1.172 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1C 1722384815 URKQQRYWHIBRIH-OAQYLSRUSA-N 455.584 1.543 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCOCC2)CCCCC1 1722389900 NNYNCYBJYAUIOH-HXUWFJFHSA-N 476.647 1.386 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1722483361 CBGAOPMWNGKTDH-HOTGVXAUSA-N 474.425 1.390 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1722532243 GIYNNWPIJCOXPU-YJBOKZPZSA-N 462.576 1.667 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCSC1 1722658132 FSRPETATGFOVQR-DENIHFKCSA-N 493.655 1.672 30 10 JDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(CCO)Cc1ccc(Br)s1 1722682850 NNXHYALKOVMWMU-NSHDSACASA-N 464.411 1.897 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1722701159 IBMXTLCSJCKNOD-MRXNPFEDSA-N 457.604 1.022 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCCN1CCN(c2ccncc2)CC1 1723777396 DGLPGMHUNMBHDW-FQEVSTJZSA-N 465.606 1.746 30 10 JDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CN(CC(C)C)CCO1 1730298832 BPIMMQQMMVDRLV-RTWAWAEBSA-N 454.575 1.963 30 10 JDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCCC2)C1 1730998502 GZQFWZXBDNPJJX-GOSISDBHSA-N 456.572 1.876 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCS(=O)(=O)Cc2ccccc2)C1 1731179430 BZMBGZHWCNQKMX-UWJYYQICSA-N 460.535 1.676 30 10 JDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1740579480 PFLMPIYHEZRXAI-UHFFFAOYSA-N 464.578 1.683 30 10 JDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1740608928 JOGOMNNDJZCNHO-UHFFFAOYSA-N 463.542 1.417 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(CC)cc1)N(C)C 1740609373 JCQFKAONXOYSDQ-RTWAWAEBSA-N 474.631 1.546 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc2c(s1)CCCC2 1740610495 CVUWPERKWBLUHM-INIZCTEOSA-N 464.617 1.258 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 1740622975 LYLWWINYDXGAEG-DOTOQJQBSA-N 465.938 1.697 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1740624032 CWHXBIBKOQZTBZ-CVDCTZTESA-N 474.631 1.708 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(N(C)C)nc1 1740638306 JTXRWBHCIOFPQI-UHFFFAOYSA-N 452.522 1.774 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCN(Cc2ccccc2)CC1 1740671278 COWLDRBAXNLPDM-QFIPXVFZSA-N 470.643 1.458 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCSC1 1740686825 WYFUUNDPQCVAIH-VGOFRKELSA-N 481.619 1.541 30 10 JDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC(=O)N1CCOCC1 1740875193 VBUCDGUTNQWKPI-UHFFFAOYSA-N 461.592 1.499 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C(=O)OC(C)(C)C)C1CC1 1740910265 LXONLZXKVILVMB-QGZVFWFLSA-N 484.623 1.633 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(CCC)C(=O)C1 1740955039 KKQKYNAZCCNRFU-UHFFFAOYSA-N 456.547 1.713 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1740961448 CQWVBYVINQUQRM-UHFFFAOYSA-N 467.559 1.273 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1740963067 YBBSIEIRMAMVBX-IBGZPJMESA-N 470.603 1.655 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1740986069 RHQGUQCSVFRSNT-IBGZPJMESA-N 493.552 1.645 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(Cn2ccnc2)c1 1741925340 HLAUHKUXWUVSHH-HRAATJIYSA-N 472.550 1.623 30 10 JDEE CCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NS(=O)(=O)CC)CC2)cn1 1746353511 FXAXPSCFTSXIHM-UHFFFAOYSA-N 468.587 1.990 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2ccsc2)CCO1 1748222378 GVFDNOATVRVDQI-CVDCTZTESA-N 482.566 1.649 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C1OCCO1 1748671317 IRNVFHFOUXHODO-QFBILLFUSA-N 475.571 1.163 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1748719187 WFALMWXSFVRIFP-MSOLQXFVSA-N 494.643 1.757 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1748751481 IBQGVHPCCCEEIM-HXUWFJFHSA-N 455.584 1.485 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1748751951 OUZUSQCIWPJDKK-KRWDZBQOSA-N 458.544 1.828 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCNC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1748808561 LCYDTNRUJCXGQX-INIZCTEOSA-N 457.512 1.496 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1748817036 COXULAGYWGWEPU-PMACEKPBSA-N 451.637 1.460 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1748820558 DSZCLSQUTSDCIO-GOSISDBHSA-N 476.518 1.868 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cnn(-c2ccccc2)c1 1748929149 DVLKLQCZBLCUHW-NRFANRHFSA-N 483.598 1.499 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(C)(C)O)c2)CC1 1749015128 SLYXCVZBFNXQFN-FQEVSTJZSA-N 499.637 1.422 30 10 JDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1749095849 HFICAZHVAOMPNO-WOJBJXKFSA-N 497.600 1.537 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nc(C)c(C)s2)CC1 1749304171 WRCPZTVJCGYHAO-INIZCTEOSA-N 452.606 1.889 30 10 JDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@@H]1C 1749494653 VNCQNMKKCSZDHR-ROUUACIJSA-N 450.584 1.929 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1749650347 TVELCIBWRRFMBZ-AWEZNQCLSA-N 459.517 1.572 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1749650556 BDRVLSRIDMNUSZ-HXUWFJFHSA-N 481.479 1.757 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1749671618 FXKMWBATIRVRQR-WIYYLYMNSA-N 456.566 1.857 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1749737090 XFHIFGJAQUVBKT-LJQANCHMSA-N 458.588 1.456 30 10 JDEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCS2(=O)=O)c1C 1751324017 BCWZGYXKSDGTJX-MOPGFXCFSA-N 474.587 1.799 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc(C(C)(C)C)no1)[C@H]1CCS(=O)(=O)C1 1760180534 GZIFAIGGNNGXPD-GAJHUEQPSA-N 491.614 1.891 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1760181230 RERQQHUJKNHGSU-VWNVYAMZSA-N 466.604 1.372 30 10 JDEE C#CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1760187556 KFABZIROFCFXQS-SFHVURJKSA-N 493.630 1.544 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1760188122 HXUIGXPLYZPUPN-SJLPKXTDSA-N 470.530 1.968 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCCN(CC(F)(F)F)CC1 1760552461 ORHGENKKZMFRBG-UHFFFAOYSA-N 460.526 1.959 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1760555357 DJWHHBKIJSZTSJ-NRFANRHFSA-N 497.625 1.414 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1760558556 SENBVDSYHDPWFQ-CEWLAPEOSA-N 491.662 1.983 30 10 JDEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1761129324 BCLHETKJVCDQDD-UHFFFAOYSA-N 461.592 1.056 30 10 JDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)CN2CCOCC2)cc1 1768584903 FFQWUHUHFXFXOR-SIKLNZKXSA-N 454.575 1.769 30 10 JDEE CN(CCc1nccs1)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1768860089 BFNQBXDZCSQXIW-UHFFFAOYSA-N 472.596 1.892 30 10 JDEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)NCCNC(C)=O)cc21 1858807064 JYNVEROIVRCWCI-UHFFFAOYSA-N 467.482 1.512 30 10 JDEE COCCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3-c3ccc4[nH]ncc4c3)cc2C1=O 1870141946 SAAJMRVNHUVILY-UHFFFAOYSA-N 470.449 1.900 30 10 JDEE N#Cc1nnn(-c2ccc3nc[nH]c3c2)c1NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870155339 IDNVFUMKYAMHKL-UHFFFAOYSA-N 485.420 1.938 30 10 JDEE Cc1nc(SCc2cc(=O)c(OCC(=O)N3CCOCC3)cn2C[C@@H](C)O)c(C#N)c(C)c1C 1870309416 IPSKDHBIOVYZKL-OAHLLOKOSA-N 486.594 1.951 30 10 JDEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(=O)OCC)s2)c(=O)cc1CN1CCOCC1 1870587190 HHXZNGJJIOMHCZ-UHFFFAOYSA-N 476.555 1.826 30 10 JDEE C=CCn1c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc2c(N3C[C@H](C)O[C@H](C)C3)ncnc21 1873593567 DVORZXQMXDXODR-IYBDPMFKSA-N 484.582 1.808 30 10 JDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC([C@@H]3CNC(=O)CO3)CC2)[C@@H]1c1ccc(C#N)cc1 1890023226 PPBKOQVQAIKJSV-VJBMBRPKSA-N 470.595 1.705 30 10 JDEE COc1ccc2c(CC(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)cc(=O)oc2c1 1890958108 NEWCFIURIOIUGK-UHFFFAOYSA-N 467.566 1.603 30 10 JDEE C#CCOCCONC(=O)c1cc(I)cc(I)c1O 2094354123 DIGKKDIBINYMFX-UHFFFAOYSA-N 487.031 1.913 30 10 JDEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)COC1(C)C 2267141890 MZELMSSXNJYFBU-CYBMUJFWSA-N 450.345 1.811 30 10 JDEE COCC[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)NC(=O)OC(C)(C)C 2267270028 IYTMJZBSYRTJPB-INIZCTEOSA-N 451.373 1.984 30 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HVSVGXCYTCEGSH-UHFFFAOYSA-N 456.572 1.940 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C)c1 1301587936 AWUORMAYVPVGJF-LJQANCHMSA-N 497.643 1.157 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](COC)C1 1301589663 WBELUSXEJIZOAG-ROUUACIJSA-N 499.634 1.660 30 10 JDEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 1301609375 HWLKPVAMBVIDOD-UHFFFAOYSA-N 482.614 1.771 30 10 JDEE CC(=O)N1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 1301677148 CHLSXYJZXOGABQ-SFTDATJTSA-N 499.641 1.841 30 10 JDEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1315002606 CWYVWGXSTDHOGH-FQEVSTJZSA-N 479.585 1.950 30 10 JDEE CNS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 1315070440 GJGBNWJSEDMGEU-LIRRHRJNSA-N 471.559 1.341 30 10 JDEE CO[C@](C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1)C1CC1 1315145894 GMXFREQDDVWMIX-RUZDIDTESA-N 481.601 1.754 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H](C)N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1358965033 MSHTXKLVLSZRLP-LADGPHEKSA-N 498.697 1.830 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1358992226 FIVLGLNLEWTORL-IRXDYDNUSA-N 452.481 1.345 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCSCC2)CC1 1359041654 DQQPIYTXGPLACA-UHFFFAOYSA-N 463.611 1.831 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](C)COC)CC1 1359045142 YHYYECALAQZFGS-LJQANCHMSA-N 480.617 1.700 30 10 JDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1359053709 WFFHZMQAONINGZ-MRXNPFEDSA-N 466.571 1.852 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1c(C)nn(C)c1C 1359091899 UKDHKLPAYUCAMN-SUMDDJOVSA-N 465.624 1.856 30 10 JDEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1359189457 LNPYPHMAHCVIAL-UHFFFAOYSA-N 458.611 1.936 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1359303223 HZROZSLFSUGPPP-JOCHJYFZSA-N 493.656 1.889 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cc1 1359308176 GPNZPUIORHCGNS-YLJYHZDGSA-N 474.587 1.962 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2nccs2)C1 1359327113 SKAQSPDULYYRTH-HNNXBMFYSA-N 466.589 1.149 30 10 JDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCSC1 1359929220 AKYBUYZMWMVXNF-XLIONFOSSA-N 486.664 1.245 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccs1)N1CCCC1 1507539369 VHBKMXNHPAETGF-OTWHNJEPSA-N 492.671 1.968 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCN(C)C1 1507669691 PNUFNSSORWAKQT-NLFFAJNJSA-N 470.618 1.922 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1507733488 AFBPXVGDLLFSCU-SFHVURJKSA-N 489.621 1.685 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2ccnn2C)C1 1507746141 LOUPNSJAXNLDDL-HOTGVXAUSA-N 451.622 1.372 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1507751289 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C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1539094380 OZCXXISGQXPREV-KRWDZBQOSA-N 490.605 1.974 30 10 JDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1539132357 JMZITJABHWXAGN-UHFFFAOYSA-N 478.582 1.504 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1CC1CCN(CCN(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1539224290 DYEMJDMSIFGSGX-HSZRJFAPSA-N 490.718 1.911 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)c1nc(-c2ccccc2)no1 1539238698 BJEVRCMFCLKDGC-DLBZAZTESA-N 467.555 1.815 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)c1nc(-c2ccccc2)no1 1539238707 BJEVRCMFCLKDGC-IRXDYDNUSA-N 467.555 1.815 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1539416005 JUEMBHVNWYFMPJ-OTWHNJEPSA-N 467.636 1.154 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccc(C)cc2)N2CCOCC2)CC1 1539427673 GZLNYDGHZBKLSZ-QHCPKHFHSA-N 479.629 1.553 30 10 JDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCCS(C)(=O)=O 1539506513 JUXDXXAYBRYOTQ-UHFFFAOYSA-N 450.586 1.954 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539629801 YJUCSKHFRVXJFT-PKOBYXMFSA-N 455.563 1.428 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1539744729 UVGWTEHECZYLRW-LJQANCHMSA-N 492.577 1.472 30 10 JDEE C=C(Cl)Cn1c(N2CCC(N(C)S(=O)(=O)CC)CC2)nnc1[C@@]1(OCC)CCOC1 1539819292 BCECOHWLTQWJCF-LJQANCHMSA-N 462.016 1.933 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1540004868 HLDVAGMQDQHMKU-QGZVFWFLSA-N 459.572 1.814 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1540867882 KUGYVUAJBQGNTH-CQSZACIVSA-N 452.968 1.419 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@@H]1CCSC1 1540873556 BSHBAXSWASUXKO-OAQYLSRUSA-N 469.659 1.887 30 10 JDEE Cc1ccccc1OCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1542783301 GOXYTLBOZPJHAM-APWZRJJASA-N 462.576 1.594 30 10 JDEE C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1545124955 BWCUXJWHUHPNER-SFHVURJKSA-N 467.574 1.541 30 10 JDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1545689485 DCPXVVPZEVMLAA-GOSISDBHSA-N 466.590 1.332 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccc(NS(=O)(=O)C(F)(F)F)c1 1545776334 BYKUEMJBEWCPDG-GFCCVEGCSA-N 454.434 1.961 30 10 JDEE CNS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(CC#N)CC1 1554500630 CIOOPJTUEMIEQQ-UHFFFAOYSA-N 459.576 1.827 30 10 JDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)CC3(C#N)CCCCC3)C2)CC1 1566043616 HLBPHEPDXIAAQB-UHFFFAOYSA-N 454.593 1.944 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 1583247118 RHNQGTSDMIMCDY-UHFFFAOYSA-N 452.554 1.851 30 10 JDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1587759500 VPEYRKRHWQGUQW-ACRUOGEOSA-N 469.634 1.659 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCNC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1588069013 FFMONYRBQQWITQ-IBGZPJMESA-N 497.577 1.815 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(OC)c1 1588386416 OTZAEWFEBHRSDN-YLJYHZDGSA-N 477.587 1.547 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](CCC)OC)CC1 1588763036 QNSVQGJWBCNDJV-HXUWFJFHSA-N 474.631 1.766 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1588769340 RKIITBWEEZWWDL-SFHVURJKSA-N 452.481 1.865 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1588976463 YRUDWZFUWGMNPY-CVEARBPZSA-N 458.592 1.287 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1595477391 UDYHTPVWKQBFPY-KRWDZBQOSA-N 469.608 1.242 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2cccc(F)c2)C1 1595729140 JWMRBHNBQHJKAZ-UXHICEINSA-N 495.577 1.610 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(F)cc2)CC1 1595754110 LGDBVJLGEALOKP-UHFFFAOYSA-N 476.578 1.581 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1595812173 OUAUXUVQVOXNFG-INIZCTEOSA-N 473.646 1.248 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1595812374 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C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)NCCCC)CC1 1690345842 DXBLZOWUFVJERB-KRWDZBQOSA-N 489.042 1.496 30 10 JDEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1690644330 FBKBZRLEAHVBNX-FXAWDEMLSA-N 477.587 1.853 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2cnn(C)c2)CC1 1690662276 XDIDXCFKCXJTMR-UHFFFAOYSA-N 474.367 1.398 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690665549 HQSBGTJFSYRTSH-SFHVURJKSA-N 483.573 1.601 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCNS(=O)(=O)CC)C1 1690699801 JHUOOTADLGJNMQ-VQIMIIECSA-N 463.560 1.511 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](NC(C)=O)C1 1690725054 DHZKFODZZAFNRF-IBGZPJMESA-N 461.588 1.583 30 10 JDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1 1692346393 CZYUTIJNQGKXTB-MOPGFXCFSA-N 468.624 1.946 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nc2ccccc2[nH]1 1692662503 HXXNABOYWAMKSJ-QFBILLFUSA-N 486.602 1.858 30 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C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCN(C(C)C)CC2)CC1 1722581708 LBSSYMAIBCJRKZ-FQEVSTJZSA-N 496.678 1.249 30 10 JDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722614112 CADPJGIUOOEUTE-UHFFFAOYSA-N 450.565 1.738 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCNC(=O)C1 1722694495 XBFKCRYCULQROF-UHFFFAOYSA-N 453.728 1.599 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1722701990 CFJZFLCWKPMEDO-HXUWFJFHSA-N 468.558 1.793 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1722729248 GVVQTYJCRUWINW-NPPFBWRTSA-N 461.588 1.637 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1722729454 KXRBRBPQRCGSAY-RXVVDRJESA-N 477.606 1.766 30 10 JDEE C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)N(C)C(=O)OC(C)(C)C 1723843641 DSANCWGTNAQUTJ-OAGGEKHMSA-N 468.580 1.164 30 10 JDEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CS(C)(=O)=O)CC1 1728602727 FRNJRCUAQWWTSQ-RBUKOAKNSA-N 473.647 1.712 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CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1763177743 FTXSFJLMXVIAAM-KOSHJBKYSA-N 468.558 1.885 30 10 JDEE CN1CCN(C(=O)[C@H](CSCc2ccccc2)N=C2NS(=O)(=O)c3ccccc32)CC1 1869928444 YFAFPXJLINYWTR-IBGZPJMESA-N 458.609 1.801 30 10 JDEE Cc1ccc(-n2nnc(C(=O)N3CCC(OCC#CCN4CCN(C(C)C)CC4)CC3)n2)cc1 1890431454 VKPDQGHASPAZOL-UHFFFAOYSA-N 465.602 1.621 30 10 JDEE C#CCNC(=O)CS(=O)(=O)C(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2074675823 FBLSQFZULLDFIO-JOCHJYFZSA-N 498.557 1.921 30 10 JDEE Cn1ncc(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)c1CNC(=O)OC(C)(C)C 2180984541 JYPIPLLCFMODRG-UHFFFAOYSA-N 458.328 1.786 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)=C[C@@H]1O 2256674773 MOEWBWGDECPLRY-STQMWFEESA-N 451.354 1.965 30 10 JDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@@H]3[C@H](C2)CN(C(=O)OC(C)(C)C)[C@H]3CO)C1 2266484275 HNLBHAKLONUAKR-KDUNCWAXSA-N 463.575 1.979 30 10 JDEE COC(=O)C1(NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267152286 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C[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)[C@H](CNC(=O)OC(C)(C)C)C1 2282173376 IIFPQWIWCAHRFX-GJZGRUSLSA-N 463.388 1.880 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2282329728 QNKXZNYINRKZBK-GJZGRUSLSA-N 484.428 1.691 30 10 JDEE CCc1nn(C)c(C(=O)NCCOCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282560399 UWHQHNJQKHTWRC-UHFFFAOYSA-N 466.388 1.553 30 10 JDEE C[C@@H]1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@H]1NC(=O)C(F)(F)F 2282571347 BLNDTNDORLNNLW-BZPMIXESSA-N 458.290 1.637 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2282834493 VLPGOEYINVWBLQ-KGLIPLIRSA-N 485.416 1.086 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](CNS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](O)C1 2282868481 NZIFWCUZAVEFDG-QAPCUYQASA-N 482.408 1.492 30 10 JDEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C 2339881134 LPTPNBICMKUTSP-CQSZACIVSA-N 452.361 1.297 30 10 JDEE 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C#CCN(c1nnc(-c2cccn2C)n1CC1(SC)CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300487385 ISWWTRHEPWVLSQ-GOSISDBHSA-N 476.672 1.738 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1csc([C@@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1300492288 MRVYQKQERIVFHX-BMFZPTHFSA-N 478.600 1.068 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](CCC)OC)CC1 1300718891 IDXULKPWJQEZNI-OAQYLSRUSA-N 477.573 1.702 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2COCCO2)CC1 1300719096 OGDUXKAOHOCFSO-LJQANCHMSA-N 469.542 1.344 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCCN2CCC[C@H]2CO)CC1 1300719749 OSOLWJOTOBBIBJ-FQEVSTJZSA-N 453.591 1.476 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cscn1 1300764279 VTHFOHCFWQSGRK-HNNXBMFYSA-N 456.619 1.070 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1300974954 QQHJVEPKIFPJPX-UHFFFAOYSA-N 497.643 1.413 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1301515027 PFYIXCWSIDOXKN-AWEZNQCLSA-N 477.363 1.589 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2CCS(=O)(=O)CC2)C1 1301567934 ZUVFNFPHHSAXST-KRWDZBQOSA-N 479.628 1.876 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2CCNS(=O)(=O)Cc2ccon2)C1 1302977668 BSXLILCHKJRPPN-YJBOKZPZSA-N 453.500 1.069 30 10 JDEE Cc1cccc(CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCO[C@H](C#N)C2)n1 1304489606 CYWWBLSBXUOVSE-HXUWFJFHSA-N 481.582 1.870 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc(SCc3ccccc3)ns2)CC1 1310401386 BKWODXTWCHOLOS-UHFFFAOYSA-N 452.587 1.448 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1358958532 QJFGTQBTHHGPIJ-INIZCTEOSA-N 494.415 1.779 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1OCCN(C)C)[C@H]1CCS(=O)(=O)C1 1358963918 QADIMONBKLOTFK-RTWAWAEBSA-N 487.626 1.397 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCc1nnc2n1CCCCC2 1358984288 PCFAIRYQTPVKJJ-UHFFFAOYSA-N 457.542 1.949 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)CN1CCOCC1 1359023775 WAKHWRQFFPDVLF-LJQANCHMSA-N 479.585 1.246 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(C)ccc2OC(F)F)CC1 1359036321 TVJKPOUSCCVUFQ-QGZVFWFLSA-N 479.553 1.894 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1359121687 CXAMQFGJZKLOPU-IBGZPJMESA-N 492.602 1.359 30 10 JDEE C=C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCNS(C)(=O)=O)CC1 1359164131 GCSQZFFSFRSMAR-UHFFFAOYSA-N 457.560 1.381 30 10 JDEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)=O)CC1 1359225627 FNMUNGGKPJIAKX-UHFFFAOYSA-N 461.592 1.499 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(F)cc1)C(C)C 1359300910 MPKDLDWIYZNJJG-IBGZPJMESA-N 494.593 1.467 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359308995 FHELXWSUIWUQSH-UHFFFAOYSA-N 497.600 1.604 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC(F)(F)C2)C1 1359321799 LVCJHMPJMKZFLP-ZACQAIPSSA-N 475.562 1.828 30 10 JDEE C#CCN(C(=O)c1cc(Br)nn1-c1ncccc1Cl)[C@@H]1CCS(=O)(=O)C1 1359871523 MPMSYCIOHOHUGJ-LLVKDONJSA-N 457.737 1.946 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCO2)c1 1507550280 IPUGFSDPXFFVGV-ICSRJNTNSA-N 471.583 1.806 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCS(=O)(=O)NC(C)C)c1 1507550319 XCDUJGZOKSIRLD-UHFFFAOYSA-N 483.598 1.668 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC2(C(N)=O)CCOCC2)c1 1507552296 NUFFAPARWRIPHR-UHFFFAOYSA-N 487.564 1.602 30 10 JDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1507572547 NNLLEJBLYQCZKQ-PMACEKPBSA-N 457.623 1.456 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1507633731 VESMYGDKQGGNBE-RBUKOAKNSA-N 474.583 1.886 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2nncn2C)CC1 1507732087 SOLXYWXFUDKNKE-SFHVURJKSA-N 469.594 1.325 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)O)CC1 1507734346 VXFOTRRPQKVGAR-UHFFFAOYSA-N 452.559 1.884 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1507837679 UQQVQHKUBLYHKY-INIZCTEOSA-N 456.613 1.176 30 10 JDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccnn2)CC1)c1ccccc1 1507853264 BQYVBEIVLAKBNQ-GOSISDBHSA-N 468.587 1.718 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)C(=O)C1 1507915257 AREMTEVTESSPTD-KRWDZBQOSA-N 466.608 1.024 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCn2nc(C)nc2C1 1507958791 ICMSHTHZZZJAPO-UHFFFAOYSA-N 486.602 1.708 30 10 JDEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCN1CCCS1(=O)=O 1507980827 GFOCOMSLBNMQOY-UHFFFAOYSA-N 471.587 1.723 30 10 JDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1508070744 CCZICRYEBBBEEC-JBPLPALLSA-N 460.623 1.815 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1508073853 PLIRIARCSCDNOF-UHFFFAOYSA-N 455.519 1.850 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1508082884 XPHHAXRCCBZSKH-UHFFFAOYSA-N 476.541 1.076 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1508090266 FWIGBQLXXJZXJR-KRWDZBQOSA-N 483.602 1.622 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CC2(F)F)CC1 1508132104 UYVPRIRISYQNLP-UKRRQHHQSA-N 481.591 1.361 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(F)cc2)C1 1519562719 HVMDKXFKKKZVNJ-VQIMIIECSA-N 452.487 1.240 30 10 JDEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1539210535 CPERCVKCRMSIOM-SFHVURJKSA-N 494.415 1.861 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1cccc(C)c1 1539416651 RBIABXDGIXOOFP-CTNGQTDRSA-N 475.615 1.809 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN(C)c2ccccc2F)CC1 1539430544 JMJJKXWJTGKVTK-SFHVURJKSA-N 477.610 1.309 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2CN2CCCCC2)CC1 1539432038 XINZYFFTHIAYRF-NRFANRHFSA-N 499.685 1.678 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1539462841 MFUZKNFQQHDVSU-OAQYLSRUSA-N 457.600 1.890 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1539480630 CXTBISZBOLLJFC-QGZVFWFLSA-N 496.559 1.908 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1539484399 NVJONGRCOWRNKY-NHCUHLMSSA-N 452.559 1.281 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1539744273 HCDOYGVOAOMBQJ-SJORKVTESA-N 456.551 1.220 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1540870597 QYRSMTQJJALKLX-KRWDZBQOSA-N 491.040 1.746 30 10 JDEE Cn1cnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)n1 1554351055 FENGUGPZSNHUJM-UHFFFAOYSA-N 478.561 1.536 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CSc3ccc(Br)cc32)CC1 1564683966 WRLPGEXOCRRBIS-AWEZNQCLSA-N 459.391 1.391 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cnc2c(Cl)cnn2c1 1587562892 UWXKOEJRZULDMY-STQMWFEESA-N 450.956 1.285 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCOCC1 1587562930 VIOXSGDMFGARCZ-QZTJIDSGSA-N 460.604 1.227 30 10 JDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1587879235 PQJOGFCZEJALKX-PGRDOPGGSA-N 452.607 1.542 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1588045024 FQEZLPOMFWLABB-SFHVURJKSA-N 474.583 1.512 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(N(C)C)CCOCC1 1588639021 YIVGAFUURPDZCN-UHFFFAOYSA-N 465.558 1.791 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1588660465 WXUCQEQNHGPNST-GOSISDBHSA-N 452.481 1.613 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOc2ncccc2F)CC1 1588752381 RFPIQOYUFXLMQR-QHCPKHFHSA-N 458.538 1.687 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)Oc2ccccc2C)CC1 1588923857 OJJYCIPERIQLIA-AZUAARDMSA-N 464.570 1.971 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nnc3n2CCCC3)CC1 1588984358 GYHHHIAJFOGVJT-MRXNPFEDSA-N 492.675 1.567 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCOC1 1589216145 KSBQGKBOWALYNH-NLSFWIRASA-N 461.563 1.730 30 10 JDEE C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1589715444 KQHZECVDTPVGJU-INIZCTEOSA-N 484.536 1.600 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1595405091 BVMNJIHYCZEHNQ-LJQANCHMSA-N 474.587 1.652 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1595506970 RXCMXNVFWZPSRG-QGZVFWFLSA-N 469.546 1.257 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1595562095 NNYRYXBNRMXVKO-HXUWFJFHSA-N 487.630 1.397 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1595577223 LUIRUFDXJCVNPP-KRWDZBQOSA-N 491.390 1.443 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1689979964 JVBQEFQRYRUVJJ-DOTOQJQBSA-N 473.534 1.361 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1690114962 MQZDSPKQKITHAH-UNMCSNQZSA-N 486.642 1.766 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOc2ccc(C)cc2)CC1 1690136926 LKPQLGPYVWXJDC-SFHVURJKSA-N 488.614 1.242 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1690174323 BLMWPABKKYJGET-KURKYZTESA-N 490.630 1.668 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC2CCCCC2)CC1 1690288253 OWPQACBWGOKJIQ-HXUWFJFHSA-N 466.652 1.889 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@H]1C)C(C)C 1690580902 IBPUUGHKGWEMNA-HSALFYBXSA-N 478.663 1.546 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1690667315 ZFOOZAYLEMUCQK-UHFFFAOYSA-N 459.514 1.244 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1690725572 UYUNTDZZKFBBAU-KRWDZBQOSA-N 477.587 1.755 30 10 JDEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690750472 KXBCLHNSHUEVCZ-QGZVFWFLSA-N 456.572 1.232 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCC[C@@H](C)C1 1693679717 DJMLKABKXUXRCL-MOPGFXCFSA-N 480.621 1.525 30 10 JDEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1695587965 BLXLCLRSQJHYHB-FNZWTVRRSA-N 495.628 1.737 30 10 JDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1705514331 RLNKDKBLTWNTPZ-UHFFFAOYSA-N 472.600 1.814 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1705626455 XJYUUYZLPCKBCI-UHFFFAOYSA-N 451.531 1.681 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@]2(O)CCO[C@H]2C)CC1 1705650523 SPJOBQRSIVRKLZ-OYHNWAKOSA-N 458.588 1.140 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CCOC2)CC1 1705651188 NBPVLVKMORYWCD-HSZRJFAPSA-N 473.961 1.628 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1705893807 HBBVOBUJFHFLSI-QGZVFWFLSA-N 481.557 1.970 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705905906 LHSIRXDKAXFHFR-UHFFFAOYSA-N 456.576 1.636 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1705927938 JBIOGVGVENFIHE-SFHVURJKSA-N 481.619 1.137 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C(F)(F)F)C1 1705934461 NILXDPUKYMQXDZ-HNNXBMFYSA-N 498.487 1.962 30 10 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CNS(=O)(=O)c1ccccc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 609041657 LDFUNHZIAAIZTK-UHFFFAOYSA-N 488.513 1.996 30 10 JDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 727837296 PDXDGEQIXARNLT-CQSZACIVSA-N 457.467 1.915 30 10 JDEE C[C@H](c1ccccc1)n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn3ccccc23)c1=O 729669179 KFOZUUSBUKOLKH-MRXNPFEDSA-N 455.543 1.948 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1-c1ccccc1 839085097 WJMUOKSGGOOODF-UHFFFAOYSA-N 454.515 1.285 30 10 JDEE N#Cc1ncn(CCNC(=O)c2nnn(-c3cccc(Br)c3)c2C(F)(F)F)n1 1128719130 HYEPCMMTZLBQCM-UHFFFAOYSA-N 455.198 1.942 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)Cc2cc3c(cc2Br)OCCO3)CC1 1136632823 NKTLVDFUFYNSFJ-UHFFFAOYSA-N 450.333 1.047 30 10 JDEE C#CC[C@H](NC(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)C(=O)OC 1141995292 MGVAKLRXNNOZEX-RDJZCZTQSA-N 458.540 1.226 30 10 JDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286336998 SXORZAGCFGCJDP-UHFFFAOYSA-N 450.547 1.025 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1csc([C@@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1286379831 CQSSLAZXUXAPNH-WBVHZDCISA-N 492.627 1.353 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](N1CCOCC1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1286386567 CUZBYBSPTBXVOK-ZWKOTPCHSA-N 498.531 1.230 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 1286386762 HDDJUDIDPYFVLI-INIZCTEOSA-N 471.514 1.620 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286390169 YCYGUIRLDSLHHV-FPOVZHCZSA-N 471.631 1.872 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1286390846 AHBASRTWVBVMBJ-IBGZPJMESA-N 471.583 1.030 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCO[C@@H]1CCCC[C@@H]1C 1286410188 SNLZWFRISUZKHP-ZCNNSNEGSA-N 463.604 1.279 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccccc1 1286432094 XFZVXBALZFLPIL-LEWJYISDSA-N 471.583 1.462 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(-n2cncn2)nc1 1286437992 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C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1286819005 WJMHIMWYVAVSCT-QGZVFWFLSA-N 461.592 1.025 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC)[C@H](C)C1 1286820402 KZLGPJFTTKVCPS-YLJYHZDGSA-N 461.588 1.922 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1286831096 TXKIYEQIHADESN-HOTGVXAUSA-N 456.638 1.256 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC#C)Cc1ccc(F)cc1 1300411516 SRRMNBSXQYOHDK-FQEVSTJZSA-N 459.547 1.803 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1300484697 UPXRRZQJEBWYOX-ZXYWRSMDSA-N 498.403 1.202 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Br)n1CCOCCCO)[C@H]1CCS(=O)(=O)C1 1300489784 SCKNOCRFNMSEPV-INIZCTEOSA-N 497.415 1.733 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1ncn(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 1300496588 SJPKRNCRSDUHTB-IBGZPJMESA-N 453.572 1.732 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1300952063 HEZXBGXVZHGGHH-HKUYNNGSSA-N 482.651 1.564 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cc(C)on2)CC1 1301187808 CEQRVGSVXRGULF-HXUWFJFHSA-N 493.634 1.586 30 10 JDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1301433968 AEYZLYPUXLRDFC-UHFFFAOYSA-N 481.648 1.593 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1301479235 XGHGMVPJHLNYRA-GOSISDBHSA-N 474.587 1.463 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1301499103 XIQPDXVAWNNHNM-JKSUJKDBSA-N 461.567 1.273 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](n2cncn2)C1 1301575986 OHIJQHDDDWAKLT-SFHVURJKSA-N 457.560 1.988 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1301579186 PGJRTOFYUORCDK-NRFANRHFSA-N 460.535 1.516 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1301595106 NGGSWCLUPINCRS-JKSUJKDBSA-N 459.638 1.582 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CCCS1 1303860495 AWMMLJXIUJPVDS-FUHWJXTLSA-N 475.644 1.982 30 10 JDEE Cc1nn(C)c(N2CCN(C(=O)NCc3cccc(NC(=O)[C@H]4CCCO4)c3)CC2)c1C#N 1311663800 FHYWGKIQONQRCM-HXUWFJFHSA-N 451.531 1.750 30 10 JDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 1354863415 ZDCDXADVVAKIBC-IBGZPJMESA-N 456.480 1.484 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCS(=O)(=O)C2)c1 1358903149 MMPBNLKVRGKUPH-FQEVSTJZSA-N 495.609 1.631 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1358919871 MLJPLUKDJBRSTH-LJQANCHMSA-N 474.631 1.941 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1358920239 VRCBRAXNJUHVHM-IAGOWNOFSA-N 468.624 1.995 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1358960207 ZIYIUCLGARFKPA-MRXNPFEDSA-N 489.598 1.361 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCS(=O)(=O)C1 1358983326 CWVVVGKTPRIYNK-KURKYZTESA-N 461.588 1.556 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1359096882 IEVZSQDAOIKRKK-IPJJNNNSSA-N 473.622 1.201 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1359157230 CJVNXGVBNIJGES-OAHLLOKOSA-N 455.972 1.435 30 10 JDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1359283040 IRYWLVQUJXQBAT-UHFFFAOYSA-N 452.563 1.682 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC(C)C)CC1 1507556197 FSMDLVRSSBHUGT-KRWDZBQOSA-N 454.597 1.606 30 10 JDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1507557927 OTOBZUFJRFRSNG-UHFFFAOYSA-N 484.626 1.553 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1507633295 CRQSITPRFOZQIE-QFIPXVFZSA-N 492.605 1.493 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1507637859 CHADLYILONTTFH-SFHVURJKSA-N 486.623 1.929 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(N2CCOCC2)CC1 1507644763 NINRJSRSSLCJIK-UHFFFAOYSA-N 482.610 1.133 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1507731159 CBCXMQHCCYSJGQ-ZWKOTPCHSA-N 480.635 1.239 30 10 JDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](CC(N)=O)C1 1507751002 AQEMLQBVJGUTDR-INIZCTEOSA-N 475.644 1.696 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCC(N)=O)CC1 1507800940 ZSDHKWKSIHKCFH-HBFSDRIKSA-N 465.620 1.643 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCNC(=O)OC(C)(C)C)CC1 1507884104 DSMCJOXTBXRCER-QGZVFWFLSA-N 484.623 1.682 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCS(=O)CC1 1508077538 OAKZZRQWSJYSSU-UHFFFAOYSA-N 452.378 1.887 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1508141342 MLLYWMZSZYXJTF-JKSUJKDBSA-N 479.632 1.170 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1508144715 SJOSSIBYVKHGTD-QZTJIDSGSA-N 459.572 1.193 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1508195455 BVQHRZPLPKJSOU-UXHICEINSA-N 486.598 1.468 30 10 JDEE CCOC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1516040500 BRMXKGUHMZYWKM-VWLOTQADSA-N 497.600 1.852 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 1539094214 MPMQARMDNUOOMA-GOSISDBHSA-N 488.614 1.395 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1539215792 JHMJWBQRGNKEPG-IBGZPJMESA-N 453.572 1.870 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1539222849 XKIKFFSVOIOAFI-QRFQSNJMSA-N 492.001 1.417 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539224441 HFDDCRGNZDWBBT-IBGZPJMESA-N 497.625 1.899 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCOC[C@@H]1OC 1539246649 VGMJKVBIVNLTGY-FPOVZHCZSA-N 471.583 1.320 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(F)c1 1539265040 CLFDSXGCYUFQHN-YLJYHZDGSA-N 475.546 1.290 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1539296672 SNPBOVPMZGMPOY-YADARESESA-N 486.594 1.829 30 10 JDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1539340823 SOKVNECAAYUVQZ-VZCXRCSSSA-N 481.944 1.847 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1539640470 IDYLBWDZLSLWGG-RXVVDRJESA-N 455.563 1.616 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(CCO)Cc1ccc(F)c(Br)c1 1540871374 KGIYVWRSGQATFL-HNNXBMFYSA-N 482.354 1.985 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCCN(S(C)(=O)=O)CC2)cc1 1540877610 AHUMFFPGAPPLOX-IBGZPJMESA-N 474.587 1.314 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)Nc2ccc(F)cc2)C1 1540883340 YDVBGIDHFUUGLD-WMLDXEAASA-N 466.539 1.447 30 10 JDEE CC#CC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 1562143366 ZEKFCCIOIPBUDG-KRWDZBQOSA-N 452.577 1.450 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588053614 GGGNHFCNIVXIBJ-VAWZGJIGSA-N 463.648 1.919 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2([S@](C)=O)CCC2)CC1 1588885074 SAONITZVXVWBSS-XIFFEERXSA-N 476.647 1.464 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCN2CC)CC1 1588890706 DVJWNOALOFOZPQ-YKSBVNFPSA-N 458.607 1.380 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2noc(CC)n2)CC1 1588890908 IHERNTCBBLNGBE-XMMPIXPASA-N 485.589 1.473 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1588908139 LAEXSDBMPXQCHM-UHFFFAOYSA-N 455.584 1.878 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOCCCC 1589215858 GKQNZLUHOCTWBO-GHTZIAJQSA-N 453.609 1.810 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)F)C1 1593746526 HSNMOLIQEJLCTG-HOTGVXAUSA-N 463.551 1.685 30 10 JDEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1594759986 BUUUAJIEHXNURC-UHFFFAOYSA-N 477.569 1.966 30 10 JDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1595314320 PCAMZDZCLYHHBG-SFHVURJKSA-N 452.563 1.634 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1595501436 TWLLOMCMAJMSHR-LJQANCHMSA-N 481.557 1.849 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(S(C)(=O)=O)CC1 1595776940 GKXGPUDTOGBKMB-UHFFFAOYSA-N 482.584 1.288 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)c1 1595899171 QBWULGMJJRQZGE-UHFFFAOYSA-N 458.511 1.986 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)c1ccccc1 1611307614 DNNUVELFTVOYAQ-IRXDYDNUSA-N 465.601 1.783 30 10 JDEE Cc1cc(CN2CCN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)N(C)C)CC2)no1 1611956929 CJMCRHFTZVPGCG-UHFFFAOYSA-N 464.530 1.436 30 10 JDEE CC[C@@H](C)[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1613098555 DSEGORJPKOMQAS-WAIKUNEKSA-N 471.610 1.454 30 10 JDEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1615316599 HMIJROCNCSTBJL-UHFFFAOYSA-N 487.630 1.937 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(OC)c2OC2CCCC2)CC1 1631498730 NOFWITAWZQLPSB-UHFFFAOYSA-N 450.561 1.311 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2COCCN2C(=O)OC(C)(C)C)s1 1631738873 RSQWJTAXSCLMCP-CQSZACIVSA-N 459.590 1.507 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2O)s1 1640318099 YBMORWNNEKDIJL-OLZOCXBDSA-N 452.558 1.635 30 10 JDEE C=CCOc1ccc(-c2nnc(SCC(=O)NC3CCN(S(C)(=O)=O)CC3)o2)cc1 1656360308 UHZLZPLNKQYECN-UHFFFAOYSA-N 452.558 1.934 30 10 JDEE C#CCN(C(=O)Nc1cc(N2CCOCC2)c(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1662678602 DVDQGTSTJAEQNI-CYBMUJFWSA-N 457.350 1.335 30 10 JDEE CCOC(=O)C1([S@@](C)=O)CCN(C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)CC1 1670762608 HRMSANLIYYDWSA-MLNJSSBLSA-N 455.558 1.680 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1689982775 UIABLSRCSROWDA-DKFQHHCZSA-N 462.597 1.942 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689989734 IBXYZTHPNRKJEX-ZWKOTPCHSA-N 468.645 1.777 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1689993626 IOMUCIRAVHLPCR-YLJYHZDGSA-N 467.617 1.048 30 10 JDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690028198 NKQWNTPJZFCXJY-GOSISDBHSA-N 457.556 1.220 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC2(OC)CCC2)CC1 1690137234 QYTZNDZOXZCVOU-UHFFFAOYSA-N 465.558 1.850 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1690170785 QMIJZDUZBNILFC-ROUUACIJSA-N 480.660 1.426 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(C(=O)NC)CC1 1690661763 GLKTZRLPPQMPDX-UHFFFAOYSA-N 464.368 1.311 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H](OC)C1 1690668602 BHONLIFTGIKURB-LPHOPBHVSA-N 465.558 1.838 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1690719696 QQYRKQJYFQMZGK-SFHVURJKSA-N 459.572 1.756 30 10 JDEE Cc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCc2ccc(S(N)(=O)=O)cc2)n1 1693189355 GPKNNEQGMKCLFZ-NRFANRHFSA-N 455.519 1.981 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)N1CCSCC1 1705497367 ZIQZKTCJSCMCBT-OAHLLOKOSA-N 469.583 1.984 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1705562761 JVNHSFYLXJGXCJ-INIZCTEOSA-N 475.571 1.114 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccc(OC)cc1 1705582699 HPFLWQDIMWYPKE-RXVVDRJESA-N 487.582 1.160 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccc(C)n(C)c2=O)CC1 1705632068 HCKJOFSJLJZUEY-UHFFFAOYSA-N 493.999 1.672 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2OCCOC)CC1 1705639113 GMRGFAMOXJEWAX-NRFANRHFSA-N 487.626 1.317 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2cccc(F)c2)CC1 1705643482 HONKIXULDKJNKS-UHFFFAOYSA-N 468.533 1.698 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(OC)CCOC2)CC1 1705645865 HRPBQTDHLDAHOP-JOCHJYFZSA-N 458.950 1.765 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(F)cc2)CC1 1705648637 VHKVLMPMQYFWBQ-IBGZPJMESA-N 473.574 1.528 30 10 JDEE C=C(Cl)Cn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1705760785 SCHDOFYEQPYLLP-DKZVUGQWSA-N 467.014 1.672 30 10 JDEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(S(C)(=O)=O)CC1 1705789813 XUWPKWDIZISYAF-UHFFFAOYSA-N 495.675 1.922 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C 1705867980 YWPMFBPJOIBWES-YADHBBJMSA-N 477.613 1.791 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1705938145 OFUWPOUFYXXPBS-SFHVURJKSA-N 461.588 1.742 30 10 JDEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOCCN(C)C)C[C@H]2C)CC1 1706001155 PESZOBIFWVEWED-YKSBVNFPSA-N 494.644 1.384 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc(-c2ccccc2)n1 1722293562 CZAAXPBVCSQTDK-APWZRJJASA-N 470.555 1.772 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1722332545 MLYBDYOGBXBJGH-IEBWSBKVSA-N 461.592 1.142 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722359728 PSMPUMWKUQDFJV-GOSISDBHSA-N 492.623 1.280 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 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C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1722731208 GWIFBHAEOOKALF-UHFFFAOYSA-N 479.578 1.907 30 10 JDEE CC(C)CN1C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCS(C)(=O)=O)CCN2C1=O 1723446481 DEIUXAZZNWPNBR-HXUWFJFHSA-N 485.614 1.834 30 10 JDEE CCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1728574322 BPNDCSLFYFIZGD-FQEVSTJZSA-N 457.604 1.819 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1740619880 MAMRXDMMVDDBRM-SJLPKXTDSA-N 460.556 1.626 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1740623937 CSBORJZHTWUEPK-SFHVURJKSA-N 459.601 1.318 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2CN2CC[C@@H](O)C2)C1 1740970514 MWEPNHVVLQSTCF-FGZHOGPDSA-N 468.602 1.813 30 10 JDEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1743888982 BUMLGLCVMYFHMI-MRXNPFEDSA-N 473.603 1.640 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1748804814 LQDWAALJBRPTCS-LAUBAEHRSA-N 454.593 1.106 30 10 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C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760360072 PRWYBRXEVMTTPP-UHFFFAOYSA-N 465.624 1.593 30 10 JDEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760422986 OMMBIQVGRBUFRB-UHFFFAOYSA-N 474.631 1.915 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCn2nc(C)nc2C1 1760519583 IXOOWSISOXGXJL-UHFFFAOYSA-N 457.336 1.930 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CCC[C@H](O)C1 1764173410 FRGUQSHBPPNZDZ-QUCCMNQESA-N 497.648 1.988 30 10 JDEE CS(=O)(=O)C1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1771341806 GHGDIGBCNFZUHM-ZDUSSCGKSA-N 469.365 1.732 30 10 JDEE C[C@H]1c2ccc(C#N)n2CCN1C(=O)[C@@H](CCS(C)(=O)=O)N1C(=O)c2ccccc2C1=O 1866332393 SHAHHQFMRYIPQK-IFXJQAMLSA-N 454.508 1.362 30 10 JDEE C=CCN(CC=C)C(=O)[C@@](C)(CC)NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 1868597001 XFGDZFGOJAQJQP-HSZRJFAPSA-N 462.616 1.722 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)NCc2cccnc2)nc1C 1872649325 ULXFCCDKGDDIOU-UHFFFAOYSA-N 472.483 1.449 30 10 JDEE C=CCn1c(C(=O)N2CCC(N(C)C)CC2)cc2c(N3CCN(c4ncccn4)CC3)ncnc21 1873562459 DQSRNFRUDKZRHW-UHFFFAOYSA-N 475.601 1.900 30 10 JDEE C=CCn1c(C(=O)NCCN2C(=O)CSC2=O)cc2c(N3C[C@H](C)O[C@H](C)C3)ncnc21 1873596353 SMBGJVARRNIVFR-OKILXGFUSA-N 458.544 1.656 30 10 JDEE COc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)NCc2ccco2)cc1O 1874433639 PYDJDXLEGUSQCL-NUGSKGIGSA-N 458.500 1.512 30 10 JDEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)c3c4c(nn3[C@@H]3CCS(=O)(=O)C3)CCC4)C2)c1 1891409236 DUSNZQHERLNVLK-ZWKOTPCHSA-N 469.567 1.929 30 10 JDEE COc1cc(S(N)(=O)=O)cc(C(=O)N2CCC[C@@H](COc3cc(C#N)ccn3)C2)c1OC 1891434608 HOHPIRDLYMZNSU-OAHLLOKOSA-N 460.512 1.549 30 10 JDEE C[C@@H](CCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2255754038 YEXVUSZMEVPWFW-ZDUSSCGKSA-N 458.390 1.301 30 10 JDEE CO[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@@H]1NC(=O)OC(C)(C)C 2267123274 BSZAFMFJWPMHEK-LSDHHAIUSA-N 450.345 1.083 30 10 JDEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2267136026 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C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](C)N1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282101981 GWFVHGHVXKSPAC-RRFJBIMHSA-N 463.388 1.973 30 10 JDEE Cc1nc(S(=O)(=O)N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282508299 UPKJMJAGUBXQQX-GJZGRUSLSA-N 484.428 1.752 30 10 JDEE Cn1cc(C(=O)N[C@H]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282557224 RZHYNOIDOADLIN-GJZGRUSLSA-N 464.372 1.521 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2282977336 CIBPQZCXHSTERH-YOEHRIQHSA-N 464.324 1.107 30 10 JDEE C[C@@H](OCc1ccccc1)[C@H](NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284415064 LQBXAVHTYKZHIL-BEFAXECRSA-N 476.360 1.718 30 10 JDEE NC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccccc1C(=O)O 2325917743 FVORTCSFTWPCBL-QGZVFWFLSA-N 478.534 1.952 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)OC(C)(C)C 2362339124 VWKFAJDPTAGBPB-NHIYQJMISA-N 462.356 1.130 30 10 JDEE 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C#CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1)[C@@H]1CCS(=O)(=O)C1 729330683 CWHGJRGDPZRVKZ-YQQAZPJKSA-N 489.015 1.400 30 10 JDEE Cc1ccc(Cl)cc1NC(=O)CSc1nnc(NN=Cc2c(C)nn(CCO)c2C)n1N 1084481287 YEKFGKUDTVHJDE-UHFFFAOYSA-N 477.982 1.936 30 10 JDEE CC(=NNc1nc(SCC(=O)N2CCCN(Cc3nnc(C)o3)CC2)n[nH]1)c1ccccc1O 1084596303 XNPZYLFTDCOWFU-UHFFFAOYSA-N 485.574 1.864 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1286322626 GECWTTMFDFAHAY-QUCCMNQESA-N 475.619 1.217 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286381405 GJNXSKDNOQRTHG-JPYJTQIMSA-N 474.583 1.750 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1286387427 DVQNMRIRFWBLDB-QGZVFWFLSA-N 471.539 1.934 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1286393203 PLEPBSJIYLETQX-NZQKXSOJSA-N 458.584 1.232 30 10 JDEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCNS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1286397980 VTLMDOGKFUZWER-KRWDZBQOSA-N 497.668 1.055 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1286490143 MHNFXCJJGNWMTE-FQEVSTJZSA-N 464.618 1.332 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cnn(C)c2)CC1 1286495912 IIMDNYRWJKGDDU-OAHLLOKOSA-N 451.622 1.372 30 10 JDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286510038 HNBASXADCSTOSK-QGZVFWFLSA-N 456.572 1.788 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(CCC)C(=O)C1 1286672303 LIPCECDFLKHBQX-GOSISDBHSA-N 482.651 1.662 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286780662 YCWXOZHRMXXRPZ-GOSISDBHSA-N 483.392 1.353 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)NCC)CC2)nnc1C1(c2ccccc2)CCC1 1286792680 FGDYDPFRZVFYET-UHFFFAOYSA-N 451.575 1.902 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnc(C(C)C)nc1 1286814189 MYEHAENHIUPWQE-UHFFFAOYSA-N 461.592 1.665 30 10 JDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 1292667147 APZDBJQGIMTQNX-GOSISDBHSA-N 455.584 1.786 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CC(=O)NCC(F)F)c1 1300333125 WQCGIYWBSQMEFU-KRWDZBQOSA-N 460.485 1.957 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300489780 SBINYJGWKNTHJR-IBGZPJMESA-N 484.582 1.968 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1300497954 FJWVZFAOPCMTNS-NQIIRXRSSA-N 471.627 1.987 30 10 JDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCSC1 1300591668 UNSXUMDKURLLGE-AREMUKBSSA-N 478.666 1.974 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCN2CCCS2(=O)=O)CC1 1300719077 NWOUEDOJGYURQS-UHFFFAOYSA-N 491.017 1.600 30 10 JDEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1301453914 GIASNRLWSRZDKU-INIZCTEOSA-N 471.587 1.940 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1301508864 WMAXBILLZNXYEU-INIZCTEOSA-N 452.606 1.340 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC2(CC1)COC(=O)N2 1301576749 ZQMOGBLAGSZPCC-UHFFFAOYSA-N 491.570 1.642 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1301593898 XGBPPIQNRQGIHZ-NQIIRXRSSA-N 464.592 1.125 30 10 JDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CSCCS2)CC1=O 1301889524 APYLVXPKJLPHAX-SFHVURJKSA-N 458.613 1.960 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)c1 1309677616 HLUSQBFNTVVMLD-BGYRXZFFSA-N 453.520 1.408 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1358912485 RYLGYVLOZZPXPP-RBUKOAKNSA-N 457.604 1.879 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1358964923 KBAKWLLWMKEIQH-OAQYLSRUSA-N 487.601 1.941 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccc(F)cc1 1358977991 BDLWGSOEYGZOOW-YLJYHZDGSA-N 459.547 1.627 30 10 JDEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1359002880 QHGALWROFNWSSE-UHFFFAOYSA-N 478.571 1.370 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(F)c2)CC1 1359045927 YHKNNXZGKYYSIL-SFHVURJKSA-N 459.547 1.333 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2nncn2C)CC1 1359047534 KLNDFOOEUKNWLG-HDICACEKSA-N 497.604 1.191 30 10 JDEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1359058751 OOYNGHANIWWALR-UHFFFAOYSA-N 486.005 1.224 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1359060305 QWEPONAXRHAGAC-SFHVURJKSA-N 450.634 1.910 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)NC(=O)OC(C)(C)C 1359240754 WYBWBZVMOGDZFO-OAHLLOKOSA-N 472.612 1.537 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1COCCO1 1359254957 JLAKGHOGKCEOSM-ICSRJNTNSA-N 462.572 1.797 30 10 JDEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(CC(=O)NCC)CC1 1359287070 KWDKCZOHVWXJFA-UHFFFAOYSA-N 461.611 1.837 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1359299622 JZAXHILCERVDAJ-NRFANRHFSA-N 487.649 1.735 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1359306584 KYZQLRUWOBMDPJ-UNMCSNQZSA-N 482.585 1.575 30 10 JDEE C#CCC1(NC(=O)COc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CCOCC1 1462844273 LDRPMPAJUACUOW-UHFFFAOYSA-N 453.517 1.693 30 10 JDEE Cc1cccc(C)c1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1492485953 DYEXMMGWSGYOLF-UGKGYDQZSA-N 476.578 1.913 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](N1CCOCC1)C(F)(F)F 1507532811 JBUMIBGDAHLZGZ-BBRMVZONSA-N 454.453 1.727 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@]2(C)COCCO2)c1 1507546676 HJMVVTFGJIKDFK-DEOSSOPVSA-N 466.542 1.376 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2nccs2)c1 1507551787 ZFPDDMMWXVKCNX-KRWDZBQOSA-N 484.607 1.936 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1507628506 OPKJTHFBXUVPAC-OKZBNKHCSA-N 495.001 1.774 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507632049 IOHAGOJJUJCHDK-ZWKOTPCHSA-N 454.618 1.387 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1507633379 DGCAEKCURUPOMS-GOSISDBHSA-N 456.597 1.980 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1N1CCOCC1 1507643110 QVBXDIOAGIKEOO-IBGZPJMESA-N 470.599 1.154 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCS(=O)(=O)N(C)C 1507661621 BMQYCDUCODRAAD-UHFFFAOYSA-N 451.499 1.901 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNS(C)(=O)=O 1507675779 FUCCEJPVGQRXLZ-KRWDZBQOSA-N 464.592 1.362 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OCC=C)cc2)CC1 1507734065 QIKSBNKPPFPGGV-UHFFFAOYSA-N 464.570 1.995 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2c1OCCCO2 1508019238 KMXNYNXIQVWXOA-HXUWFJFHSA-N 489.598 1.999 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1508085319 UAEXQCXQGWBIOK-SFHVURJKSA-N 455.563 1.917 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](OC)C(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508149456 VMNQQRMPQLJIEE-LAUBAEHRSA-N 456.609 1.781 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1S(=O)(=O)N(C)C 1508405534 GGDLZTXKJNTYFV-MRXNPFEDSA-N 482.570 1.820 30 10 JDEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)N(C)C)cc1 1516306524 CXNUHTBMTIUKAL-VQIMIIECSA-N 478.575 1.437 30 10 JDEE COCCN1C[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)CC1=O 1519190567 CRCANQYUVOVGPH-RTBURBONSA-N 451.531 1.232 30 10 JDEE C=CCN(C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C)[C@@H](Cc1ccccc1)C(=O)OCC 1537316891 IXJIYDLVPDAJPY-IBGZPJMESA-N 452.511 1.378 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCS(=O)(=O)C1 1539312793 ZIDKDCXNKXSLLT-GOSISDBHSA-N 488.639 1.526 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCC(O)CC1 1539408966 JMUXLKADHISNHN-UHFFFAOYSA-N 461.570 1.826 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1COCCO1 1539409117 OSGJRGLFVPLTIE-SFHVURJKSA-N 466.542 1.737 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1539488544 AQGNMJWJMVUUJP-UHFFFAOYSA-N 459.572 1.232 30 10 JDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1539592553 GMENWROLWOKVKU-MRXNPFEDSA-N 477.411 1.720 30 10 JDEE C=CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1540014357 NGCHLUPQQRSLHP-UHFFFAOYSA-N 482.585 1.639 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COCCO1 1540146613 IOZGPTQHWSSEBM-SJLPKXTDSA-N 483.616 1.281 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1540861956 MWKQOMSWNULOGT-QGZVFWFLSA-N 469.546 1.250 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCn1cc(Cl)cn1 1541911030 HWTQCPGWGJCGPY-CQSZACIVSA-N 462.967 1.946 30 10 JDEE CCN(CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)CCC(F)(F)F 1547578726 GCRNZEOSZDVRHT-CQSZACIVSA-N 465.546 1.903 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2Cc2c(F)cccc2Cl)C1 1555812550 GMECEJZQVTWUBE-DYVFJYSZSA-N 484.941 1.181 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCOCCC=C)[C@@H]1CCS(=O)(=O)C1 1588050253 PWZLNCHIHWQFDF-QGZVFWFLSA-N 482.566 1.813 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(SC)CCC1)[C@@H]1CCS(=O)(=O)C1 1588054208 LJXUUMZNNNNUKO-JKSUJKDBSA-N 472.658 1.093 30 10 JDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1 1588228039 HZJHFRCDZRAIRV-MRXNPFEDSA-N 451.888 1.111 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCCC)cc1 1588233195 COBPTBHCZJWFCY-JOCHJYFZSA-N 485.610 1.911 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOc2ccc(F)cc2)CC1 1588924198 XAFVRTKQMJFKGV-HXUWFJFHSA-N 468.533 1.803 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1588962179 XRAWYHMTGFFKFB-VXKWHMMOSA-N 496.660 1.605 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@H](N1CCOCC1)C(F)(F)F 1589149861 AODWNHVIMRDQNA-JTDSTZFVSA-N 492.568 1.534 30 10 JDEE C=CCNC(=O)Cn1c(N2C[C@@H](C)OC3(CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595593905 JUHWSBXVZUAWBX-WZONZLPQSA-N 463.579 1.395 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1595845175 NNUDWCUTSIHJKK-HNNXBMFYSA-N 484.648 1.809 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)CN(C(=O)OC(C)(C)C)c2cccc(OC)c2)CC1 1615209452 QFNYDJLOGJMHHF-UHFFFAOYSA-N 458.559 1.720 30 10 JDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCCS1(=O)=O 1616485145 CPJDJKTZTGDJNW-ZWKOTPCHSA-N 475.571 1.952 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCNS(=O)(=O)c2cc(C)sc2C)c1 1623365910 PHNUAWYQDZOJEG-UHFFFAOYSA-N 457.599 1.538 30 10 JDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F 1626313591 QHAZXAINNDNZEG-MRXNPFEDSA-N 457.524 1.617 30 10 JDEE C=CCN1CCC(NC(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)CC1 1631233500 ZBRDKLAHHNLDCU-UHFFFAOYSA-N 451.549 1.480 30 10 JDEE C=CCC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1635343028 LIWOOFWWPNJPDS-NSHDSACASA-N 452.314 1.598 30 10 JDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1689973504 FQFRNNYTSZUDKH-INIZCTEOSA-N 470.521 1.992 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1689982575 QGKVFBTYWIHUCK-OCCSQVGLSA-N 456.366 1.697 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1689982615 QRWIJOGKLJWSMY-SIKLNZKXSA-N 476.603 1.152 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OCCN(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1689986003 GRYBWTBNFNURJD-QFIPXVFZSA-N 494.621 1.956 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(OC)c(O)c1)[C@@H]1CCS(=O)(=O)C1 1689986751 WLSLXEFWQUMREZ-QGZVFWFLSA-N 455.540 1.673 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1csc(C(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1689988308 MKVJYMKBHAAXMM-IAGOWNOFSA-N 490.655 1.853 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689994422 XWVPVUVOBHVVCJ-LJQANCHMSA-N 464.661 1.991 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1690114854 JFJKVQSFJPETTB-NRFANRHFSA-N 473.599 1.685 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(O)CCN(C)C2)CC1 1690124955 XLHGODUHOLNQLK-VWLOTQADSA-N 487.649 1.214 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccn(CC)c2=O)CC1 1690137702 HAIQFBBFZIOFJX-SANMLTNESA-N 496.612 1.514 30 10 JDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1690640867 NFEZRPGEDUKNFB-KRWDZBQOSA-N 486.598 1.891 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC(=O)N(C)C)CC1 1690722945 BTONLAIFZWJYCK-UHFFFAOYSA-N 492.602 1.301 30 10 JDEE CCNC(=O)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cc1 1695929007 CFLOBFSFIZYUDG-LJQANCHMSA-N 456.572 1.718 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)c2)CC1 1695930239 HTOBRFIFKCVPNH-UHFFFAOYSA-N 461.574 1.441 30 10 JDEE COCCN1C[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1698074822 GOGSLNLFPADVQQ-HIFRSBDPSA-N 478.351 1.259 30 10 JDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCN2CCCO)c1 1698293405 CSMSYIUELFQCKO-GCJKJVERSA-N 476.578 1.637 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1705480306 TUMLRCNEOFHIHF-YZZKKUAISA-N 454.579 1.889 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1705571321 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1588581147 IHGKTJKWMLZEGL-UHFFFAOYSA-N 472.347 1.947 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(F)c2)n1 1588722353 AECGTFDPBJYLGD-FQEVSTJZSA-N 451.506 1.899 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 1588985358 RCKLMDKOCBZGRO-VJANTYMQSA-N 466.677 1.565 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1589059265 DFZWYVPNMLARKY-OAQYLSRUSA-N 495.653 1.919 30 10 JDEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1589715696 PXXCYTBJARXTRI-OAHLLOKOSA-N 452.606 1.746 30 10 JDEE C=C(C)Cn1c(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1593684634 ZFWSQDVDDUBKOZ-ZJSXRUAMSA-N 462.639 1.738 30 10 JDEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)[C@@H]1CC)c1ccccc1 1594535521 RYVWUPFMRZDFBS-UHOSZYNNSA-N 460.604 1.963 30 10 JDEE C=CCn1c(N2CCN(C(=O)COc3ccc(F)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1595453317 UBBZHGBEXXKZMT-QHCPKHFHSA-N 459.522 1.983 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1595517075 OOOGEXPYJIHHCG-QGZVFWFLSA-N 483.598 1.561 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C)C(=O)[C@H]1C 1595544466 IOIWRMHGCQHAIU-MRXNPFEDSA-N 475.594 1.362 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1595602224 HBKMSWKVAYXMIV-HXUWFJFHSA-N 473.622 1.345 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1595785287 VNUDOJZAPJNBEW-IBGZPJMESA-N 489.646 1.017 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2F)CC1 1595811776 AFDCTXVWWRVBBC-UHFFFAOYSA-N 471.562 1.725 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H]1c1nncn1C 1595812021 KSZPNIXBJCWLBF-GOSISDBHSA-N 471.587 1.948 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1595820967 ADGMUGKSHMFOGZ-WZONZLPQSA-N 492.598 1.851 30 10 JDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1CCCO 1612657122 AYFZSXUPWJTGLW-UYAOXDASSA-N 467.574 1.242 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cnn(C)c1 1613585439 GBKAONCCOBHWRX-UHFFFAOYSA-N 462.562 1.572 30 10 JDEE CN(C)CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)cc1 1617691735 BPEGCSFRNIAKGX-HSZRJFAPSA-N 455.538 1.831 30 10 JDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNc2nccc(C(F)(F)F)n2)C1 1620346502 BZCRQUMHUFQLAE-APPDUMDISA-N 453.404 1.592 30 10 JDEE C#CCNS(=O)(=O)N1CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 1645162770 COKCOWAFHWJHAA-UHFFFAOYSA-N 450.362 1.491 30 10 JDEE C=CCOc1ccccc1CNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 1677622608 RZORLWLYYAVYQA-HDICACEKSA-N 452.577 1.433 30 10 JDEE C=CCCSCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1683853841 LJPUEYZAIZJOFS-UHFFFAOYSA-N 454.574 1.343 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(OC)cc1 1689853866 ZOJGETKRWNVMLL-VQIMIIECSA-N 463.560 1.157 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nc(O)c2sccc2n1 1689930729 YHFGZVHLLKAZGX-OAHLLOKOSA-N 491.599 1.371 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cscc1C)[C@H]1CCS(=O)(=O)C1 1689990154 MEINIXUTDOSBFO-RDJZCZTQSA-N 468.626 1.225 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689993698 JQOUMYBPNGTNOE-CVDCTZTESA-N 457.600 1.832 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCS(=O)(=O)N(C)C)CC1 1690114957 MPDACKUOONZNGQ-KRWDZBQOSA-N 476.672 1.778 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccccc2OC)CC1 1690136191 AXTYQSZDFNOMTG-KRWDZBQOSA-N 488.614 1.105 30 10 JDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(=O)N1CCOCC1 1690166191 XSWOPVIXJZHYIN-UHFFFAOYSA-N 457.556 1.378 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1690170222 CDYMWZNYNLKXRX-INIZCTEOSA-N 458.613 1.928 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1690667888 LJWXAXFPKPDPLT-UHFFFAOYSA-N 491.596 1.876 30 10 JDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)[C@H]1CC 1690736449 FCXGNZTVAHABEH-GOSISDBHSA-N 478.644 1.829 30 10 JDEE C[C@@H]1CN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C#N)c2)CCCO1 1693839790 IFHHXDGUNSKTER-RTBURBONSA-N 489.646 1.897 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)CN2CCCC2)CCO1 1696962084 GMLJRDJBUODUBW-FQEVSTJZSA-N 451.575 1.890 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOC1CCCCCC1 1705494921 IEXDKJKUZKKPLI-IEBWSBKVSA-N 453.609 1.808 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1705524841 TUXDXXQDWKMBEV-GOSISDBHSA-N 464.636 1.921 30 10 JDEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705531018 VNPNMEZKFBNEGF-SFHVURJKSA-N 466.542 1.301 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1705552053 VCFUNXGDKBBTHX-KRWDZBQOSA-N 482.607 1.080 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1705560808 KNKWGHSIPBZHPO-FUHWJXTLSA-N 490.582 1.634 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1705564614 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C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2csc(C)n2)CC1 1722323891 ITODJQRYXGALEE-HNNXBMFYSA-N 451.622 1.389 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1722364562 LVBJDUGGGCJEPZ-HNNXBMFYSA-N 497.419 1.531 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722369638 CTNHRYADQHVZDY-XMSQKQJNSA-N 462.547 1.784 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC)CC1 1722442946 JQSXZHTZZKYZFO-UHFFFAOYSA-N 454.556 1.217 30 10 JDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722554572 PRXSBOOZWUXPBK-UHFFFAOYSA-N 460.970 1.163 30 10 JDEE C=C(Cl)Cn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722556523 BTHSYESMVURXEW-KKSFZXQISA-N 466.970 1.838 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCO[C@@H](C)C3)nc2)CC1 1722559893 LEWLOKIVVYVXNZ-ZWKOTPCHSA-N 475.619 1.713 30 10 JDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1722697921 SSXRMUPMUNVCQK-UHFFFAOYSA-N 451.575 1.835 30 10 JDEE CCc1noc([C@H](C)N2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)N(C)C)CC2)n1 1727634739 CKXLUJKUSRFFAW-INIZCTEOSA-N 463.546 1.734 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1740553866 UTVHDMKTLATAQT-WMZOPIPTSA-N 496.634 1.468 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(CN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1740622703 HCXBEFCZLMOZGL-FQEVSTJZSA-N 465.583 1.472 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1740623475 UXAIEHKPZSPXIP-CVEARBPZSA-N 470.555 1.646 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(N(C)C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1740624651 KHLPYLBIYSDYKG-IBGZPJMESA-N 477.656 1.668 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(OCC(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1740626817 NHZVVCAKUIEARA-ICSRJNTNSA-N 487.582 1.059 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ncc(C)s1 1740657076 OQQCXCGMRQOHNF-SJLPKXTDSA-N 476.628 1.643 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1740671851 QAVYVUDBLQHUTL-CNNODRBYSA-N 466.652 1.581 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CCCS2(=O)=O)CC1 1740691202 WZPNWUBHDBWCTC-SFHVURJKSA-N 476.578 1.348 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2Cl)N(C)C)CC1 1740694602 OBTSVMICHCIHHU-PMACEKPBSA-N 455.994 1.941 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCN(C)C(C)C)CC1 1740696532 WHOBJGQEWRTAJK-FQEVSTJZSA-N 475.638 1.682 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C/C=C/c2ccccc2)CC1 1740702350 MGGBOZWYJYUVFP-VEGGFIAOSA-N 470.599 1.568 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1740947187 RFQJJPHJLJZBPJ-GOSISDBHSA-N 466.608 1.026 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1740955480 VRQVFSGPWSOKRT-UHFFFAOYSA-N 457.542 1.852 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(C(N)=O)C1 1740968319 HTPLFNFDNCJCBG-QVKFZJNVSA-N 462.576 1.203 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1740985784 LUQDCAJIFDTCLG-PMACEKPBSA-N 480.679 1.629 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1740992971 QDOYWIQYHASEBM-IBGZPJMESA-N 457.560 1.176 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)NCC)CC1 1740994143 NCGSSETXVWTCCE-UHFFFAOYSA-N 490.630 1.926 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCN(C)C(C)(C)C1 1741129435 DKXUWWDAIUHJAZ-SFHVURJKSA-N 477.617 1.814 30 10 JDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1748723844 AOTFXQZRPPCADA-INIZCTEOSA-N 481.586 1.605 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC(=O)NCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748817957 UCCJDMYPMBTTOX-UXHICEINSA-N 471.583 1.115 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1748991168 RKYJYVKJCUQJSE-NRFANRHFSA-N 457.600 1.520 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@]2(N(C)C)CCSC2)CC1 1749017265 YZYMYRHDERIWJE-XMMPIXPASA-N 467.643 1.667 30 10 JDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1749038484 KJGSFJYQKWJYCR-ZWKOTPCHSA-N 455.650 1.994 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C 1749038521 TYRRPDRMLLEHAH-DLBZAZTESA-N 478.619 1.620 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(CS(C)(=O)=O)c1 1749053319 GDUZRQMPWBXZLC-IIBYNOLFSA-N 479.628 1.473 30 10 JDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1749456855 LYDNGYYTELZFKP-WOJBJXKFSA-N 483.635 1.743 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1749669079 HJJAVFKCLXQDNU-CVEARBPZSA-N 479.990 1.794 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)O[C@H](CC)C1 1749677313 VNWXOZKTPZQVAB-JTHBVZDNSA-N 481.645 1.949 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCCN(CCC)C(=O)C1 1749737907 AMZPOQMSODWWFU-UHFFFAOYSA-N 451.618 1.980 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2CCN2CCCS2(=O)=O)cc1 1750382389 DZGFLFYSUWQJQV-UHFFFAOYSA-N 497.547 1.927 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC(=O)Nc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1760188657 LKHFYLHVNCKZIB-SFHVURJKSA-N 479.566 1.617 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(OCCC)nc1)[C@@H]1CCS(=O)(=O)C1 1760192323 SPVHAVVOEUEQAU-LJQANCHMSA-N 486.598 1.259 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1760251111 WPXGHZOVVNQFKV-UHFFFAOYSA-N 450.536 1.034 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC2(S(C)(=O)=O)CCCC2)CC1 1760262146 IMYZZYJQGBDTTR-UHFFFAOYSA-N 471.627 1.990 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)CN(C)C)CC1 1760265392 AARNRWYIJHQEHM-XMMPIXPASA-N 460.623 1.484 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC(=O)NCc2ccco2)CC1 1760269357 GFSNZDVYOONIED-LJQANCHMSA-N 454.531 1.395 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(OCC)CCCC2)CC1 1760269442 IMGWAYQXYAXFBJ-LJQANCHMSA-N 477.631 1.495 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@]2(O)CCN(C)C2)CC1 1760270552 RFGBWOFCJWOQNY-RUZDIDTESA-N 450.587 1.210 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCc2c[nH]nc2C)CC1 1760271037 JIWVMRRPKALWLS-UHFFFAOYSA-N 452.563 1.031 30 10 JDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760277113 AQQXCYYVKSWBQB-UHFFFAOYSA-N 491.639 1.943 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC2CC2)nc1 1760464434 HLUPFBJBRCOQRQ-SFHVURJKSA-N 462.576 1.465 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OCC(F)F 1760464480 IHCRHHJTTQYBMZ-OAHLLOKOSA-N 472.518 1.320 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)COCCO1 1760481091 MSSWCIULJKFYQG-REWPJTCUSA-N 491.614 1.609 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1CC1(O)CCS(=O)(=O)CC1 1760501017 DXOMKVTYFQGWBQ-SFHVURJKSA-N 464.588 1.940 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCN(Cc2ccccc2)C1 1760521125 KCBIDURAVZIXBW-PMACEKPBSA-N 451.575 1.490 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1760546949 ZPSYNVSVUDOULI-KRWDZBQOSA-N 452.602 1.651 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1760566168 NOIHTNXXMLSJCJ-KSZLIROESA-N 455.650 1.256 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1nnc2n1CCCCC2 1761493134 GWSCTXKKARBTJN-IERDGZPVSA-N 475.623 1.579 30 10 JDEE CCS(=O)(=O)NCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@](F)(C#N)C1 1766730388 GMZXTCNTHKYTJE-HXUWFJFHSA-N 450.540 1.453 30 10 JDEE C=CCn1cc(OCC(=O)N(C)C[C@H]2CCCO2)c(=O)cc1CN1CCC2(CC1)OCCO2 1870547601 ICSFODVMGOXUBE-HXUWFJFHSA-N 461.559 1.389 30 10 JDEE N#Cc1cccc(S(=O)(=O)N2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1 1890078555 WLUVYIYUWWBXEH-UHFFFAOYSA-N 451.434 1.916 30 10 JDEE Cn1cc(C(=O)N[C@H]2C[C@H](F)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267127127 GVPPJEIOEMBVQL-KBPBESRZSA-N 452.336 1.797 30 10 JDEE Cc1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)oc1B1OC(C)(C)C(C)(C)O1 2267130500 OVRYKQZHFJMAOP-GJZGRUSLSA-N 450.341 1.987 30 10 JDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1(NC(=O)OC(C)(C)C)COC1 2267358740 HPSGILPCONKPCR-UHFFFAOYSA-N 488.437 1.928 30 10 JDEE Cc1c(C(=O)N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267529019 WPANLNABXAWBSM-KBPBESRZSA-N 450.345 1.050 30 10 JDEE CC(C)(C)OC(=O)NC[C@H](O)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267705262 GMUVGZRIOVHZSP-ZDUSSCGKSA-N 474.360 1.289 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2267718816 YJZGEMOHMGXPCU-UONOGXRCSA-N 470.401 1.443 30 10 JDEE CC(C)(C)OC(=O)NCC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)COC1 2268714538 ANDKDJYBJXDKDW-UHFFFAOYSA-N 451.304 2.000 30 10 JDEE Cc1nn(C)c(C(=O)NCC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c1B1OC(C)(C)C(C)(C)O1 2281976346 ACQSYVHBZPYXJK-HOTGVXAUSA-N 460.384 1.870 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H](CO)CC1 2281986135 OONJLGBTPOZIBY-GJZGRUSLSA-N 464.372 1.447 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCO[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)n1 2282049861 GJJDXMRRFADLRV-HOTGVXAUSA-N 462.356 1.180 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@H](NC(=O)OC(C)(C)C)C(F)(F)F)n1 2282488741 DMHIJOHPPHJVAD-LBPRGKRZSA-N 498.333 1.453 30 10 JDEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2282604676 XCHDGYVMSYGAJB-IBGZPJMESA-N 453.396 1.265 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)n1 2282658868 CQIQIFLYYFHAQM-KFWWJZLASA-N 461.372 1.347 30 10 JDEE C[C@@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CC[C@@H]1NC(=O)OC(C)(C)C 2282850029 KFPVGPNFNLGLCK-ZBFHGGJFSA-N 484.428 1.643 30 10 JDEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)nn1 2283967602 FSIYJHCOPFGYOI-OAHLLOKOSA-N 478.384 1.453 30 10 JDEE COc1ccc(CNC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2296183716 FRZHHNLOPRIFHN-KRWDZBQOSA-N 464.368 1.886 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315644176 QAYOMZXTBOPJPZ-QWHCGFSZSA-N 453.370 1.542 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CO 2337340695 JHRXZWJYNPKRMU-DZGCQCFKSA-N 467.397 1.790 30 10 JDEE CC(C)n1nc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c2ccccc2c1=O 16775911 IRIHTSMMGNJXEA-UHFFFAOYSA-N 465.535 1.996 30 10 JDEE COCCN1C(=O)C(=O)/C(=C(\O)c2ccc3c(c2)OCCO3)[C@]12C(=O)N(C)c1ccccc12 102562379 QTOZEXZMHYHOKZ-UPCAWOEVSA-N 450.447 1.657 30 10 JDEE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N 523235529 FFERWPRPOBYYFI-LJQANCHMSA-N 464.526 1.743 30 10 JDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CC(=O)Nc3nnc(CC)s3)cc21 586362856 WPLBQFJVFLKYOD-VEWZGRNOSA-N 462.553 1.971 30 10 JDEE COc1cccc(C=NNc2nc(SCC(=O)Nc3nnc(SCC(N)=O)s3)n[nH]2)c1 1084304985 QXLOSJPUVWYZAD-UHFFFAOYSA-N 479.573 1.419 30 10 JDEE Cc1nn(C)c(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3O)CC2)c1C#N 1154386355 DRZSGQMJBURVJU-UHFFFAOYSA-N 458.544 1.053 30 10 JDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(NS(=O)(=O)CC)cc2OC)c1 1208442463 HOMIXYIRZOVNDD-UHFFFAOYSA-N 451.526 1.355 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@@H]2CC[C@H](CO)O2)c1 1286311197 KSRPMMUZQCUWCL-FCHUYYIVSA-N 460.538 1.860 30 10 JDEE C#CCCCn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286360646 VFYKVCNRQDNQSK-DEOSSOPVSA-N 459.591 1.807 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1286385649 YDQHBOXZDXKPNA-IBGZPJMESA-N 484.582 1.854 30 10 JDEE C#CCN(c1nnc(C2CC2)n1CCCS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286389950 TYZSGOCRKCZZJO-GOSISDBHSA-N 462.597 1.646 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1COCCO1 1286462674 QRSCYLWBPGTTAA-SFHVURJKSA-N 466.542 1.566 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(c3ccccc3F)C2)CC1 1286473241 ZFPYDGIGFSJXOK-MOPGFXCFSA-N 489.621 1.309 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)N2CCOCC2)CC1 1286484176 JQQIHMUSCRMPJK-UHFFFAOYSA-N 468.602 1.732 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1286485367 ZYEWOICTGCKXOT-UHFFFAOYSA-N 456.510 1.026 30 10 JDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1286507693 BTBIUZVPWUMVTA-KRWDZBQOSA-N 479.603 1.798 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1286609119 XJZAQCSKCLSUHC-OTWHNJEPSA-N 470.640 1.123 30 10 JDEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CCC(=O)N1CCOCC1 1286749975 JZRQYSDZWWOMMP-UHFFFAOYSA-N 458.588 1.904 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1286784617 NVBOPWRZFVFOAY-UHFFFAOYSA-N 467.618 1.936 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)nc2)C1 1286810838 WLPRYYRWHMROJM-RBUKOAKNSA-N 462.576 1.144 30 10 JDEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1300384462 PYWFQNMAMGPDQW-KRWDZBQOSA-N 483.964 1.820 30 10 JDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1300458728 MAIFHSMRNBZYOV-LEWJYISDSA-N 457.600 1.255 30 10 JDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1300703446 KLGHRLFRDIEHRD-UHFFFAOYSA-N 485.639 1.345 30 10 JDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](C)(C(=O)NC)C1 1300755244 PCZUQINIFPGFPT-NRFANRHFSA-N 475.644 1.567 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(NS(=O)(=O)CC)CC1 1300893531 ZZOZXJHPMYYBFH-LAUBAEHRSA-N 480.635 1.290 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1300936756 KARBJZLWGWBCCH-UHFFFAOYSA-N 481.582 1.745 30 10 JDEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1300989819 GXISHLPCFMBMKB-QRVBRYPASA-N 490.605 1.894 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1300992066 SXNSSGDEMRYVKU-SFHVURJKSA-N 454.531 1.490 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1301479090 SODRHIBYORYSJO-IFMALSPDSA-N 495.628 1.996 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC(C)(C)C1 1301588751 IVPKHDATUOIJPU-IAGOWNOFSA-N 489.664 1.084 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1301611820 HCVZZNZFIFOPBS-IRXDYDNUSA-N 455.650 1.842 30 10 JDEE CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1314532607 AQGOYVGDRYVYPT-FQEVSTJZSA-N 485.614 1.248 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCC2)c1 1358901944 AWNYIJNVWYDCNT-LJQANCHMSA-N 484.626 1.721 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1358962578 SGGNIJLKGAILED-XLIONFOSSA-N 458.588 1.656 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1cnn(C)c1 1358972127 UVYSNMZINNFHSK-UHFFFAOYSA-N 465.583 1.635 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccnc(-n3cccn3)c2)CC1 1359028194 KDZSNPJYGRWRAT-UHFFFAOYSA-N 461.574 1.581 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1359092502 BMCSNNRZMOKRHI-QRFRQXIXSA-N 473.599 1.997 30 10 JDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359228666 KAJDOJBDEUKIGH-UHFFFAOYSA-N 475.619 1.400 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1359287541 JXFFGJWZTVQOFW-IBGZPJMESA-N 479.578 1.510 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1359287586 MPPYXOBSEPJWKC-FQEVSTJZSA-N 488.614 1.538 30 10 JDEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359310234 QXBRONYWRZVQCZ-GOSISDBHSA-N 452.559 1.627 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359329643 PUEFFVOYHNKSDO-UHFFFAOYSA-N 498.609 1.493 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)Cc1ccccc1 1360476022 GVUQMERWLUDYEO-IEBWSBKVSA-N 479.628 1.924 30 10 JDEE CCS(=O)(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1459721451 HGOYKWXPKZXCII-UHFFFAOYSA-N 453.586 1.385 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2ccccc2)CC1 1471450755 JFQFUPGKQMQBAE-NRFANRHFSA-N 450.561 1.038 30 10 JDEE CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cc(C#N)ncn1 1472650634 HDHXJXIUGRQREV-UHFFFAOYSA-N 450.908 1.097 30 10 JDEE CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)OC 1497171612 DYSIQNWGPOEVKZ-ATZDWAIDSA-N 462.576 1.763 30 10 JDEE CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCN1CCCS1(=O)=O 1499104335 HYWNUHCBCBMVTN-UHFFFAOYSA-N 457.604 1.460 30 10 JDEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507580905 NYBNJLFHDVXUTH-UHFFFAOYSA-N 455.950 1.678 30 10 JDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1507583518 SUHUDEBFPVBRHP-UHFFFAOYSA-N 492.602 1.296 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1507622157 GNQJRMOEEMOGKQ-MOPGFXCFSA-N 486.598 1.901 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1507628181 VLUGLRUHWBGUHE-HOTGVXAUSA-N 453.590 1.442 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCN1CCCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507630843 IQMDFKSAVYQGNH-NHCUHLMSSA-N 486.642 1.776 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCN(CC)CC1 1507668881 DXWNYANAPNCIFW-OAQYLSRUSA-N 460.648 1.061 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1507723909 YXRVWYSICGMGOJ-SFHVURJKSA-N 457.579 1.384 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1507800124 MCADIDVTOSSIHH-KNKQGSTJSA-N 470.622 1.697 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1507837418 ONVNGQAZIDELEP-QGZVFWFLSA-N 491.593 1.818 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1 1508070977 HEZWBIHOZRWBCE-UHFFFAOYSA-N 450.547 1.307 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1508072606 HAXOMQDRDPOIAD-GOEBONIOSA-N 450.565 1.687 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(C)C)CC1 1508090621 JKEXBBGPABPKQK-LJQANCHMSA-N 491.637 1.856 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](OC)C1 1508093971 FKEBEYAHLZAUCQ-OAQYLSRUSA-N 453.591 1.170 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(Cn2ccnn2)CC1 1508143161 FAPMPVOOKWRWGE-UHFFFAOYSA-N 456.576 1.373 30 10 JDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1539079384 SVWQFCSUHAXHHL-UHFFFAOYSA-N 486.602 1.583 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1539225871 ROQDIKNXKUYJBM-FXAWDEMLSA-N 451.618 1.812 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1539231006 NKIRMZCWKJKYLH-BVSLBCMMSA-N 487.626 1.965 30 10 JDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1539238475 YBGOJPKPVLEDDW-NBGIEHNGSA-N 464.570 1.671 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2OCCN(C)C)CC1 1539477747 XLSUNUJXUFUJOA-NRFANRHFSA-N 493.612 1.184 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2CCS(=O)(=O)CC2)CC1 1539484317 KWLAATCISHXRSI-UHFFFAOYSA-N 470.599 1.055 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)C(C)C)CC1 1539616620 RPPHUVDOVHMFPA-FHWLQOOXSA-N 482.651 1.564 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(COC)CC1 1539630648 GMPGWBYIIYVPNG-AABGKKOBSA-N 483.635 1.455 30 10 JDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1539706175 AVFJQCKOFFNGLV-GOSISDBHSA-N 477.610 1.373 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc([C@H](C)OC)n1)C1CC1 1540109488 QSWPMJXAYGHWAC-WMLDXEAASA-N 482.632 1.978 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1540871446 MBNAOYJROOURTH-OALUTQOASA-N 461.588 1.351 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@]2(CCOC2)C1 1540876506 TZVXKRLCNCRCNP-GAJHUEQPSA-N 476.578 1.648 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)NCCC)C1 1540892798 RKCJWCBRDBUEHH-MSOLQXFVSA-N 478.594 1.894 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1540903375 CJJKTFXXMKGZCA-UHFFFAOYSA-N 487.655 1.952 30 10 JDEE C=CC[C@@]1(C(=O)N2CCN(S(=O)(=O)CCCOC)CC2)CCCN1C(=O)OC(C)(C)C 1544208048 POXSAFLQINSIAK-NRFANRHFSA-N 459.609 1.843 30 10 JDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc([C@H](C)OCC)no2)CC1 1587850999 AZKVRIUGPDPSMV-IRXDYDNUSA-N 456.551 1.445 30 10 JDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1587856373 KLHSJSZWAXIRPQ-NRFANRHFSA-N 493.660 1.902 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N2CCOCC2)CC1 1587990338 VRTKTJACUWRDKN-SFHVURJKSA-N 460.579 1.521 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588050678 ULALJTROTYWAAM-WOJBJXKFSA-N 454.556 1.693 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1588055245 UJIONGXJLRRFBY-LLGFUMIMSA-N 464.613 1.768 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1588761926 BXEUALQOHYJONS-OAHLLOKOSA-N 496.435 1.072 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1588800439 GVGRIEVQUZKQCN-UHFFFAOYSA-N 459.601 1.377 30 10 JDEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1588994280 UMTDIVFKNVHZED-OAHLLOKOSA-N 478.420 1.969 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(F)(F)F)C1 1589547589 VDUSCHALKFKGCU-UGUYLWEFSA-N 464.510 1.929 30 10 JDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1593718345 VFRSSKJCNRKAPC-LJQANCHMSA-N 465.562 1.866 30 10 JDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1593735643 OAZWLDJWQYQLSZ-UHFFFAOYSA-N 482.589 1.268 30 10 JDEE C=C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCNS(=O)(=O)CC)CC1 1594083864 YVMKRBRTCDYMGI-UHFFFAOYSA-N 471.587 1.771 30 10 JDEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1594720638 RSKXRXKJNCDKLU-UHFFFAOYSA-N 478.601 1.851 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1595466096 DVSYQXONGPJXNF-UHFFFAOYSA-N 453.547 1.117 30 10 JDEE CC(C)CN1CCO[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)C1 1607581389 ICRGCNFMKIGIHH-FQEVSTJZSA-N 458.588 1.408 30 10 JDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N(C)C)C1 1619883778 GGKOQUHNYBFPHN-WIYYLYMNSA-N 489.646 1.644 30 10 JDEE N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(O)CCSC2)CCO1 1620354472 GCJWBRVWPUSZNE-JXFKEZNVSA-N 462.963 1.458 30 10 JDEE C#CCN(C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)[C@@H]1CCOc2ccc(Br)cc21 1628057238 BQBQPAWNTKSSET-CTEOGUNLSA-N 458.312 1.845 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2nccs2)CC1 1689930225 NAXIAIIPSXOLAM-KRWDZBQOSA-N 464.617 1.865 30 10 JDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1cccc2c1OCO2)[C@@H]1CCS(=O)(=O)C1 1689980762 XADURIYELGWDAJ-SJLPKXTDSA-N 476.555 1.406 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1689987690 ARIRRZSJIYRZNC-GOEBONIOSA-N 481.500 1.516 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN1CCOC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1689987773 BYIYLJONHSHKIC-IBGZPJMESA-N 472.615 1.386 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689997080 VPFLJKLOWKHIAB-JENIJYKNSA-N 463.604 1.231 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1Cl 1690047629 VPMSGCBVKWETKF-IBGZPJMESA-N 479.965 1.915 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1690219407 DDPPIUKGUGUBMY-HEHGZKQESA-N 464.386 1.181 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1c1cnn(C)c1 1690267032 RGJCOTJNLXAOQS-UYAOXDASSA-N 492.650 1.416 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1690632726 NDGBLMVSRWKZCF-LJQANCHMSA-N 460.604 1.682 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1690659333 PSHUUCPZICQSHA-GOSISDBHSA-N 465.489 1.945 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1690674988 MNXQCVQOZPGXRH-UHFFFAOYSA-N 485.564 1.173 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1690722766 UYUZDPDAJYYKMS-PMACEKPBSA-N 475.663 1.869 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1690724858 XRQVAYLOCGGFFO-AZUAARDMSA-N 462.572 1.969 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1690725698 ZCSVBNYOSDQCDP-SBUREZEXSA-N 488.614 1.968 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2nccs2)C1 1690727270 YSLUWHBXDKXPKA-KRWDZBQOSA-N 460.585 1.899 30 10 JDEE CN(C)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)CCOCC1 1696603921 AQYDFICQORGFNL-UHFFFAOYSA-N 467.574 1.398 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccc(OC)c(OC)c1 1705494667 DFKKBXHOYMYLOJ-UWJYYQICSA-N 491.614 1.719 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1705562353 APKLFWOAPDYZHC-HNNXBMFYSA-N 467.954 1.843 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(C)(C)C)cs1 1705582934 MVZOPRKKFZWVHK-INIZCTEOSA-N 476.628 1.486 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1705583459 YSLWZLGQGZTAKW-FUMNGEBKSA-N 455.559 1.879 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705597351 CJJQUWDPKLUUQR-GHTZIAJQSA-N 469.567 1.535 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1705644609 WVAYNFDCNQSVSE-UHFFFAOYSA-N 474.606 1.835 30 10 JDEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705733929 YCEJZJRXQBFNTM-UHFFFAOYSA-N 487.992 1.857 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1705812366 XSIRZGWUPMWKKV-GOSISDBHSA-N 496.659 1.674 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N1CCOCC1 1705876226 RSPWJJQVINEFKK-GOSISDBHSA-N 476.578 1.624 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1705906177 VZNKOIFMWAKFDT-GOSISDBHSA-N 456.576 1.730 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705930135 GHHIZYAEMXUEHF-ICSRJNTNSA-N 495.671 1.891 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(C(C)C)CC1 1705931258 KLCJZUIEJCOFNC-UHFFFAOYSA-N 495.671 1.870 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccccn2)n1CC(=O)N1CCOCC1 1712442668 FMGUCXCEUPVZBH-UHFFFAOYSA-N 475.553 1.647 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722327101 ZMVHYAXIAJKTOI-UHFFFAOYSA-N 498.609 1.033 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCSCC)[C@H]1CCS(=O)(=O)C1 1722359615 VBGCUVRVKNQSET-INIZCTEOSA-N 462.601 1.695 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1722360004 BXXXMTWSYUVANC-SFHVURJKSA-N 488.614 1.777 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cn(CCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1722366553 HWIKKHFFLSVRRF-MOPGFXCFSA-N 473.603 1.209 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1722370016 KFDAPTRZIYICAA-QHCPKHFHSA-N 460.582 1.969 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCN2CCCO[C@@H](C)C2)CC1 1722429892 UGJBBMJZPHGSSH-FQEVSTJZSA-N 459.639 1.453 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1722436428 GEEVWZQOPIREMJ-ZWKOTPCHSA-N 456.513 1.190 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)Oc2ccc(F)cc2)CC1 1722447292 HHRHGUAZUKSGIC-JXFKEZNVSA-N 468.533 1.802 30 10 JDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1722598580 KXFKPHYYMRAQCW-LJQANCHMSA-N 480.635 1.501 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cc[nH]n1 1722654902 YIMRCMABCHEPDM-UHFFFAOYSA-N 473.541 1.731 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1722701158 IBMXTLCSJCKNOD-INIZCTEOSA-N 457.604 1.022 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1722707749 YIILLKDMYRXNPX-PXNSSMCTSA-N 474.587 1.820 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)N2CCCCC2)c1 1740561866 DKUNMNBQXWNBRX-HXUWFJFHSA-N 477.569 1.688 30 10 JDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740601665 HVDSVLHJUSQISO-ZDUSSCGKSA-N 455.382 1.397 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](C)N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1740618794 KILYWWGYYOCGFT-AZUAARDMSA-N 474.631 1.499 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1740626823 CRPJFEGMLOZWOA-SFHVURJKSA-N 469.571 1.461 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCN(CC)CC2)nc1 1740644321 BHXUPAZBBYMGKT-UPVQGACJSA-N 477.613 1.660 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCS(=O)(=O)C1 1740647679 XRVUCLZAWHDMGZ-AWEZNQCLSA-N 450.362 1.933 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1740690482 WAVHVZZUYLJZRW-UHFFFAOYSA-N 493.593 1.327 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(CC)(CC)OC)CC1 1740705276 DDPVIODTSSFDMZ-SFHVURJKSA-N 465.620 1.351 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC 1740731251 SWGXTVCRYJSVLC-VGOFRKELSA-N 480.635 1.934 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOC(C)(C)C1 1740761591 OOGDJLRRBUDYMF-AQNXPRMDSA-N 481.663 1.708 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1740786783 OLAWPOLMTLNFMO-UHFFFAOYSA-N 473.622 1.241 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)NCCCCC)CC1 1740946849 JSCQPGIGPURUFQ-SFHVURJKSA-N 468.624 1.320 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1740961880 LHMIZIIEKNAJGF-FQEVSTJZSA-N 472.663 1.541 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740989299 IHOSBRLDGKNEPY-HNNXBMFYSA-N 488.035 1.717 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](Oc2ccccn2)C1 1740993681 CACRGKBLWXDNQH-LJQANCHMSA-N 471.587 1.793 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(-c2ccccc2)no1 1741131495 GEYZOHXODUHXCJ-JXFKEZNVSA-N 485.570 1.910 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)N2CCOCC2)c1 1748694570 JHYBGIYMKBVUCZ-NRFANRHFSA-N 490.612 1.917 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1748801920 JLDUHEGQISZRET-LJQANCHMSA-N 473.603 1.044 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OC)c(O)c1)[C@@H]1CCS(=O)(=O)C1 1748812147 QXHGXJUGQDOKIA-MRXNPFEDSA-N 454.512 1.124 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1748822145 YXODIBZXSMHLMW-SFHVURJKSA-N 465.670 1.606 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1748846132 DCVDGNPLJQCODR-FCHUYYIVSA-N 480.638 1.464 30 10 JDEE C=CCCCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749440140 SLBCQQXKBHUUQR-QHCPKHFHSA-N 462.595 1.859 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)NC)CC1 1749650970 KVXBQQWRZHFMNI-SFHVURJKSA-N 455.563 1.799 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1749680796 RJWGPKHOSPTORX-NRFANRHFSA-N 467.618 1.684 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCc2ccccc2C1 1751216361 CWCYWPVTYSPXMQ-VGSWGCGISA-N 475.594 1.779 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCSCC2)cc1 1760098667 VYMDTEAMTRPHGM-IRXDYDNUSA-N 462.645 1.948 30 10 JDEE C#CCCCCn1c(N2CCCN(CC(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1760142683 JPEMXBKAYQLERE-RUZDIDTESA-N 472.634 1.868 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1760184348 VZCFUANFEQSKBG-XLIONFOSSA-N 468.583 1.748 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1760186602 PBDLCOGDLRPSTC-UXHICEINSA-N 476.624 1.358 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccccc1-n1cccn1)[C@H]1CCS(=O)(=O)C1 1760192548 JWJCSKWYEMXLNR-IBGZPJMESA-N 454.556 1.675 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(=O)(=O)CC=C 1760216294 IAXAFGRUJOHQLT-UHFFFAOYSA-N 474.612 1.302 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CCO[C@@H]2C)CC1 1760273480 WECLZESRZOUOEU-MZNJEOGPSA-N 471.533 1.502 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)N2CCCCC2)C1 1760542455 HOFJSWYYGRAJQD-WOJBJXKFSA-N 496.678 1.657 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccc2C)C1 1760542884 LBIHDMFRRBXLJL-NHCUHLMSSA-N 475.615 1.943 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCCOCC3)n2CCS(=O)(=O)N2CCSCC2)cc1 1770738024 BZKGJBFZIOWAOC-UHFFFAOYSA-N 492.627 1.334 30 10 JDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(C(=O)O)cc1 1862628833 HWULMITXHUKDDD-LJQANCHMSA-N 452.419 1.828 30 10 JDEE CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)cc1 1870095147 AQOFVXNSWRZSII-UHFFFAOYSA-N 480.554 1.650 30 10 JDEE COc1cccc(Cn2nnc(C#N)c2NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c1 1870105515 WCXLKKFDSJSYMC-UHFFFAOYSA-N 480.481 1.601 30 10 JDEE C=CCOc1cn(CCCN2CCOCC2)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870385165 KYSHPQOJHLHCCJ-UHFFFAOYSA-N 454.575 1.248 30 10 JDEE C=CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN2CCC3(CC2)OCCO3)cc1=O 1870387444 DYZKLYYFZQJTSL-UHFFFAOYSA-N 489.594 1.642 30 10 JDEE CC(C)N1C(=O)CS[C@@H](C(=O)NCc2nc(N(C)C)nc(N(C)C)n2)[C@H]1c1ccc(C#N)cc1 1890177177 MIYSRCIIKQSTTI-WOJBJXKFSA-N 482.614 1.585 30 10 JDEE Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)c1 1891984569 UHTXRDNRXVFHCZ-FXAWDEMLSA-N 455.540 1.880 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)C1 2077116017 LWBFYSFDHYKVID-NRXISQOPSA-N 458.386 1.762 30 10 JDEE C=CCCC1(C(=O)NCC(CO)(CO)NC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2258271174 QAMVCONZDGGREJ-UHFFFAOYSA-N 457.568 1.554 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267139031 AGCKYLZSOHQMNF-CQSZACIVSA-N 450.345 1.322 30 10 JDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCO1 2267147927 XUBBJVLQEPHVAP-UKRRQHHQSA-N 450.345 1.463 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C[C@@H]1O 2267155136 PIRWSNKSAAUCKY-NFAWXSAZSA-N 467.397 1.836 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2267185845 BCPVVHUCSXHREH-GJZGRUSLSA-N 451.304 1.230 30 10 JDEE C[C@@H]1C[C@@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN1Cc1ccccc1 2267355115 SRPUVWQSWGCXLM-NVXWUHKLSA-N 461.397 1.056 30 10 JDEE C[C@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 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Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2282344782 DJPKFOVKAYWWEY-NSHDSACASA-N 498.333 1.453 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=[S@@]2(=O)CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 2282552376 PWBBIJFFHJFUBG-RPLXOIEJSA-N 482.412 1.872 30 10 JDEE CC1(C)OB(c2cc(S(=O)(=O)N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)ccc2F)OC1(C)C 2282846033 CELAMBSPSBQXJW-NEPJUHHUSA-N 478.273 1.661 30 10 JDEE CCC1(CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN(C(=O)OC(C)(C)C)C1 2282849963 JGUNJUSNTLSCMX-UHFFFAOYSA-N 484.428 1.645 30 10 JDEE Cc1nc(S(=O)(=O)NCCC[C@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282872183 RPZCZDBIQFJUTD-AWEZNQCLSA-N 486.444 1.999 30 10 JDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCO1 2283060420 MEPVWLFZAKPXHS-HUUCEWRRSA-N 462.356 1.530 30 10 JDEE CC1(C)OB(c2cncnc2C(=O)N[C@]2(C(=O)O)CCN(Cc3ccccc3)C2)OC1(C)C 2284477591 ZJFWZXHPGRPQEE-HSZRJFAPSA-N 452.320 1.235 30 10 JDEE Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(C#N)c3)n2)cc1S(=O)(=O)N1CCOCC1 20893729 ISULPGLDMDDPQN-UHFFFAOYSA-N 493.545 1.750 30 10 JDEE COc1ccc([C@@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)c(OC)c1 72444250 LKOFAQZZTDYJSX-RDJZCZTQSA-N 467.482 1.354 30 10 JDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccc(N(C)C)cc2)[C@@H](C#N)C(=O)N3)CC1 72444680 VPOHCMDNEXGVMW-MSOLQXFVSA-N 464.526 1.839 30 10 JDEE COC(=O)C/N=C\[C@]12CC[C@H](O)C[C@]1(O)CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O 503898413 FLMDAWZUVHXASC-SQPXDIAYSA-N 475.582 1.943 30 10 JDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1[C@H](C)c1ccccc1 729669589 RJLBUCNBZPODSY-GOSISDBHSA-N 487.585 1.823 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2nccn2C)cc1 1125155909 PPHJJFRFTGVXPV-OALUTQOASA-N 461.544 1.154 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2CCS(C)(=O)=O)c1 1286309977 QQUPOJZOJWIHFB-UHFFFAOYSA-N 484.538 1.107 30 10 JDEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(S(C)(=O)=O)CC1 1286316854 ZSNDLNCAMRDSPF-UHFFFAOYSA-N 455.382 1.921 30 10 JDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286318639 XIULWZYSPJFQGV-UHFFFAOYSA-N 469.575 1.242 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1286380851 DTAWAPYPBZOXHE-QGZVFWFLSA-N 471.539 1.934 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1286387154 AYZQTQKUPCXIOC-LJQANCHMSA-N 491.017 1.879 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1286388070 XQSACUPVWITMKA-IXDOHACOSA-N 464.975 1.765 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1286389733 PMZRWXXBDSGFCH-FUHWJXTLSA-N 470.530 1.968 30 10 JDEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286392046 AIZVMNQAWXSMMK-GOSISDBHSA-N 475.640 1.984 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1286394772 KJVDERQDAXXNFJ-BBTUJRGHSA-N 463.604 1.088 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1286396572 WDHUCSMLFDKVAJ-IRXDYDNUSA-N 498.577 1.328 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1cc(Br)cn1 1286447580 MIKKXTMOPSIFEM-CQSZACIVSA-N 455.382 1.689 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCC(=O)N2CCOCC2)CC1 1286474286 BPLXNOQFVIPDQS-UHFFFAOYSA-N 493.431 1.773 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc3c(c2)OCO3)CC1 1286487774 IEDLUSLJTBIKQO-QGZVFWFLSA-N 469.542 1.745 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCN2CCOC[C@@H]2C)CC1 1286490130 LZFGBVAPPGLPCR-SFHVURJKSA-N 454.550 1.771 30 10 JDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(S(C)(=O)=O)CC1 1286603984 LUZUPTDQXVMYSD-UHFFFAOYSA-N 463.560 1.391 30 10 JDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1286770316 ATXODVLJPRXIFB-HNNXBMFYSA-N 452.556 1.544 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1286778404 ACOLFKLDVYYNRI-MDZRGWNJSA-N 456.522 1.822 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1286781018 MLXADDPLTKOGDV-WOJBJXKFSA-N 468.558 1.834 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(CC(=O)NCC)CC1 1286781795 ATDRXTIAGFIUFB-KRWDZBQOSA-N 485.658 1.692 30 10 JDEE CC1(C)CCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1289004732 BHQGHRMZEDVPKL-JOCHJYFZSA-N 458.588 1.840 30 10 JDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCSC1 1297667721 HSCFFAVSLXVESN-IIBYNOLFSA-N 479.628 1.856 30 10 JDEE CN(C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1)c1ccco1 1298023742 FUXPYTCIZXDWBF-PKOBYXMFSA-N 470.555 1.973 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCCN2CCC(O)CC2)c1 1300332130 XWYORKDUBKTXIZ-UHFFFAOYSA-N 493.612 1.417 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300479405 NXOJFJNQCXQGTB-GOSISDBHSA-N 473.603 1.282 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C)Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1300502407 TWEKVTNNUSKAIT-TZIWHRDSSA-N 499.637 1.915 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1300502495 VROHPVXNFFGQIV-SFHVURJKSA-N 459.601 1.237 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1300505004 XJJFSLPLSWIDDW-LEWJYISDSA-N 482.610 1.697 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(NC(C)=O)c2)CC1 1300727425 XIXYGJXXSVMEDV-FQEVSTJZSA-N 450.543 1.755 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@]2(O)CCSC2)CC1 1300729109 NEUYATRGPWPCME-VWLOTQADSA-N 483.638 1.906 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1300952486 WQYMIJCHERZULK-GOSISDBHSA-N 464.548 1.774 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCN(CCN(C)C)CC2)CC1 1301125546 PCTLIRNZOXTDIC-NRFANRHFSA-N 464.680 1.856 30 10 JDEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1301231377 JADBALPXYZMNCN-UHFFFAOYSA-N 486.548 1.470 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C(=O)NCC)CC1 1301485511 WQTIUOLMBXPRHK-UHFFFAOYSA-N 482.408 1.923 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1301491497 RNQRCNBLWMWITJ-UHFFFAOYSA-N 451.506 1.574 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1301498212 KZPCNHILKLCYIL-VGSWGCGISA-N 458.950 1.369 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnccc2OC)CC1 1316138992 IDRGAKJQWPTKHP-UHFFFAOYSA-N 463.542 1.949 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H](C)N2CCOCC2)c1 1358903269 QIPSRJYTYWXWTR-LJQANCHMSA-N 479.585 1.177 30 10 JDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1ccc(C)c(F)c1 1358970150 GYGSZRIYQHIGJJ-DEOSSOPVSA-N 453.518 1.881 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccco1)N1CCCC1 1359009904 BKDCLPKSMGHNKR-AZUAARDMSA-N 476.603 1.501 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(OC)CCOC1 1359019446 VRAMHQCJEWWYRU-IBGZPJMESA-N 452.353 1.938 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)CC 1359025351 LFRYCGMPCMZWMT-KRWDZBQOSA-N 464.567 1.151 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1359046402 QJUPLVROBKCWFQ-SFHVURJKSA-N 485.610 1.278 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccnc(C)n2)CC1 1359216609 ZAKNDYDNKFHEHH-GOSISDBHSA-N 476.607 1.002 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1359291155 GXKTXQSKLCGQIR-IRXDYDNUSA-N 477.610 1.848 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1359293887 CJXALERUJVTHOM-YJYMSZOUSA-N 465.352 1.722 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1359343433 SWXOTITVYHZZPS-CVEARBPZSA-N 453.634 1.594 30 10 JDEE CCOc1ccc([C@H](C)NC(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)cc1OC 1459086374 HANAYEUUARAQSV-KRWDZBQOSA-N 454.527 1.837 30 10 JDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCN(C(=O)c3cccc(O)c3)CC2)CC1 1473241917 AOULKNDZBCDRFS-FQEVSTJZSA-N 453.568 1.621 30 10 JDEE CCOC(=O)c1c(NC(=O)N2CCS(=O)(=O)C[C@@H]2C2CCC2)c(C#N)cn1CCOC 1476378308 AZDGXBZPZMWHJK-MRXNPFEDSA-N 452.533 1.614 30 10 JDEE CO[C@@H]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1504468841 BKGMVXLFIHSBAT-YQVWRLOYSA-N 467.578 1.608 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1507628894 YXPFDBACMRCQRU-QMMLZNLJSA-N 468.645 1.843 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CC[C@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1507635202 QFXBZNLYAJBCHB-SJORKVTESA-N 471.505 1.858 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2cccc(F)c2)CC1 1507689327 JVXURZGZMVWBJT-IBGZPJMESA-N 461.563 1.941 30 10 JDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC[C@@H](O)C1 1507711028 YJSMSKXVSHACNZ-ZWKOTPCHSA-N 460.604 1.875 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 1507723452 JARFPAQHSLSBGR-QGZVFWFLSA-N 458.950 1.703 30 10 JDEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507786478 AIAJINVXHLGVGR-KRWDZBQOSA-N 474.363 1.939 30 10 JDEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1507836832 AZBPQPSZVZTOMO-KRWDZBQOSA-N 475.619 1.806 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccn1 1507844941 SYSLWUYZQIQKMZ-GOSISDBHSA-N 450.565 1.235 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1COC(C)(C)OC1 1508075191 WDSIUWWPAUFWLT-UHFFFAOYSA-N 477.587 1.486 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1508079855 FGHMAQNUVYXNRN-UHFFFAOYSA-N 462.558 1.738 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2cnccn2)CC1 1508140067 KOGIAQMLZVXUAS-UHFFFAOYSA-N 454.560 1.366 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1508146040 UBGMHGXKJBBZHZ-SFHVURJKSA-N 470.592 1.622 30 10 JDEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCCS(=O)(=O)Cc2ccccc2)CCO1 1521136108 BVLGXDOZCABPTM-NRFANRHFSA-N 466.567 1.998 30 10 JDEE COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)NCCn2cnc(C#N)n2)c1 1531965018 AWMZFRZDJJMRRX-UHFFFAOYSA-N 454.512 1.722 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1539014220 LKZMUJNARUROTA-IXDOHACOSA-N 484.623 1.230 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539202902 MCKLGCWDLDYZQL-GOSISDBHSA-N 489.598 1.303 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCN(CC)S(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1539211606 JGRVTQQXXJPOQB-KRWDZBQOSA-N 483.616 1.145 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C(=O)NCC)cc1)[C@@H]1CCS(=O)(=O)C1 1539221031 NFIULYIZKOUDDB-RTWAWAEBSA-N 485.610 1.944 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1539225056 LKLISZYIBIHQEG-DLBZAZTESA-N 476.628 1.175 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CN2CCCC2)cc1 1539266429 QMRJDFLXJVBHEL-QHCPKHFHSA-N 496.637 1.328 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCC(C)CC2)CC1 1539848505 POZVLFQFCWCHOR-LJQANCHMSA-N 452.625 1.499 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CCOC1 1540869726 VBOJXSQGEYWZRG-KRWDZBQOSA-N 465.558 1.840 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(OC)CCOC2)C1 1540885687 NNZNNCCDBVBSSX-XXBNENTESA-N 491.614 1.782 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1540903396 CSAAZSAVKNFBEV-MJGOQNOKSA-N 473.599 1.441 30 10 JDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1541364265 DIMGHGFDBWBRJS-SJORKVTESA-N 473.607 1.060 30 10 JDEE C#CCC[C@H](O)CNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 1562143058 MMRUYEYCFGLVKN-KRWDZBQOSA-N 452.577 1.450 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588034262 CFLVQLIRACXYQK-URFJDIBFSA-N 480.631 1.762 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1588064794 PGCFTIKBLIWYSS-HXUWFJFHSA-N 451.552 1.948 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1588171083 UFFGBLIQKXBPGM-UHFFFAOYSA-N 462.554 1.492 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCOC[C@H]1OC 1588637682 JIXUTPKLDLGWEU-VQIMIIECSA-N 452.515 1.731 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N(C)C 1588646467 KQKPLEUEZPQJEB-ROUUACIJSA-N 450.584 1.623 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCC[C@@H]2C)n1 1588724257 WDPCENFTJYVZDE-YCRNBWNJSA-N 490.630 1.214 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(OCC(N)=O)c2)CC1 1588930032 LMQSZDVOXMWNIW-HXUWFJFHSA-N 480.569 1.050 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1588947608 RQUCDLCHKHQPSH-QFIPXVFZSA-N 492.672 1.503 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)CCC)CC1 1589493925 JAIFAYDFDIKSNR-ZWOKBUDYSA-N 482.651 1.755 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC2CC2)CC1 1594498328 SPFIBHZJDKRHBE-IBGZPJMESA-N 466.652 1.745 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccco1)N1CCCC1 1594963645 WBYLXFLLULCDRR-HKUYNNGSSA-N 464.592 1.663 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1595562461 ZUOULMPWMZEOKH-GOSISDBHSA-N 471.587 1.222 30 10 JDEE COc1ccc(Br)c(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N2CCOCC2)c1 1619147546 ATUUXBWCMGVQRW-OAHLLOKOSA-N 491.346 1.304 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@@H](F)C1 1619912367 ARBQKLHHBGKPFS-BBWFWOEESA-N 458.560 1.116 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccc(OC)c2)CC1 1632624591 VEIXOXUFEFWZNM-QPPBQGQZSA-N 452.555 1.031 30 10 JDEE C#CCN(CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)C(=O)OC(C)(C)C 1633031224 FTMXNOYROXPBIK-SFHVURJKSA-N 458.563 1.269 30 10 JDEE C=CCOC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)C(=O)OC 1634058826 QAEYSVDLFBGIBW-NRFANRHFSA-N 458.536 1.908 30 10 JDEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br)C(=O)OC 1637697494 UUEQXXCRNJCFTM-INIZCTEOSA-N 457.346 1.918 30 10 JDEE C=CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 1682443186 VQGXXHLRHCHMGC-ROUUACIJSA-N 452.577 1.433 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 1689979719 GLJMZNDUYYMCDA-UYAOXDASSA-N 493.655 1.375 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](N1CCOCC1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689985843 COJPFTHZMARFOB-FUHWJXTLSA-N 498.531 1.230 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(C(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1689985988 GOKDDVSXCDNKNO-GOSISDBHSA-N 450.524 1.114 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689991021 UUTQPEJDBAZSHO-QZTJIDSGSA-N 452.577 1.078 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1689995817 ASFTZFRDKGXRCZ-SFHVURJKSA-N 484.607 1.534 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(N2CCOCC2)n1 1690030029 MZTFIIBMRZPCCV-UGKGYDQZSA-N 450.543 1.355 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C 1690104457 XFCDQUSVCSHLGM-QGZVFWFLSA-N 464.567 1.151 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)c2ccco2)CC1 1690152560 PKBFLLLCEIVSSI-UHFFFAOYSA-N 478.557 1.129 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCC2(O)CCOCC2)CC1 1690152678 UMRUVSQXEMKSTL-UHFFFAOYSA-N 485.560 1.894 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690236359 LWVGFTPYFMHGNR-JENIJYKNSA-N 482.651 1.648 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1690240679 JFHVRHLQOLLMND-NDXORKPFSA-N 471.558 1.895 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690665586 IZCVYUAKHINMFU-LJQANCHMSA-N 454.531 1.084 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCOC1 1690723294 MXULVYFHBNNIQX-KRWDZBQOSA-N 486.598 1.891 30 10 JDEE CCN(CC)C(=O)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1695583476 DRSMFVOIPHNMRF-SFHVURJKSA-N 474.587 1.726 30 10 JDEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1695587864 AYHZWGUSFXVZDM-UHFFFAOYSA-N 495.628 1.739 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(OCCC)nc1)[C@@H]1CCS(=O)(=O)C1 1705558898 LHJQFOGPTOMDPX-GOSISDBHSA-N 474.587 1.275 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1705565420 UPLVYZUALBVLRO-IFMALSPDSA-N 480.594 1.702 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCS(C)(=O)=O)CC1 1705644944 HISVGNXXRGZKIR-KRWDZBQOSA-N 491.589 1.958 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1705651050 HPYPQBRXAJTSHM-UHFFFAOYSA-N 499.637 1.956 30 10 JDEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705656829 KNYXDICKIRUBNO-UHFFFAOYSA-N 485.639 1.864 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCSC[C@H]1C 1705904552 RPCDBUDFNQEADG-HZPDHXFCSA-N 466.608 1.830 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2CCOCC2)C1 1705925195 MHBMDDOHXFUEDB-MSOLQXFVSA-N 453.609 1.072 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1705929699 VZQWPPIMDJFVIG-VGOFRKELSA-N 478.571 1.197 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1705931414 PDSJXGAJQDWNCA-ZDUSSCGKSA-N 485.408 1.694 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)NC)CC1 1705937142 JZYXGBPHSLFZHV-UHFFFAOYSA-N 452.606 1.197 30 10 JDEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCCc2ccccc2)CC1 1712882459 HDWDRTRSODDYJC-IBGZPJMESA-N 456.572 1.279 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](N2CCCC2)C1 1722333281 URYLQAASDVSPQU-RTBURBONSA-N 450.609 1.089 30 10 JDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722352255 GZWJQSAPCUBXDF-KRWDZBQOSA-N 483.598 1.416 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](OCC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722365120 CDLYISLQYLUMFW-UFYCRDLUSA-N 471.583 1.634 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722365172 LNTKGNNTQROENG-IBGZPJMESA-N 470.599 1.958 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCOCCC=C)[C@@H]1CCS(=O)(=O)C1 1722366264 HARHRKQPDCEMJM-MRXNPFEDSA-N 461.544 1.225 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCSC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722368177 PHLHIDNTOZLXFF-QWHCGFSZSA-N 486.563 1.060 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1722384893 ZKOPPCGBFMXBTH-IRXDYDNUSA-N 454.552 1.633 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2CCN(C(C)=O)CC2)CC1 1722432112 SOJPCPJKBGLLGD-UHFFFAOYSA-N 498.031 1.875 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1722445744 BILXSGYEIJMPTG-RTBURBONSA-N 468.606 1.144 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(N3CCO[C@@H](C)C3)nc2)CC1 1722450313 CXWWXRZMNLHZPP-IBGZPJMESA-N 481.601 1.449 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1722608864 NEUZHXHWAHOFET-HUUCEWRRSA-N 453.569 1.939 30 10 JDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1722621342 YTHPRNGINIDZDR-RBUKOAKNSA-N 455.563 1.675 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC(C)C 1722664129 RBVRRYAIXLVXRQ-KRWDZBQOSA-N 482.632 1.390 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1722695912 UXXIDDMDTUWQLD-UHFFFAOYSA-N 470.958 1.558 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722695976 WSJKCJMETMITEO-MRXNPFEDSA-N 487.948 1.382 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN3CCCC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1722731972 SJKIFKRWKDNENA-KNQAVFIVSA-N 467.636 1.594 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(CN2CCOCC2)c1 1723933922 HNTWSIGDUNBULN-VGSWGCGISA-N 491.593 1.211 30 10 JDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC1CCN(CCN(C)C)CC1 1726637720 AKKJZQFTDHJMJR-HXUWFJFHSA-N 494.644 1.669 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCN(Cc2ccccc2)CC1 1727228796 APZQXHKYFTZIEE-QHCPKHFHSA-N 494.644 1.743 30 10 JDEE COc1ccc(CCc2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2CC(=O)N(C)C)cc1 1730119034 AODMGIAPAMTUPF-GOSISDBHSA-N 489.584 1.537 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1740538720 JMBGOVPEZQEYKJ-NVXWUHKLSA-N 465.601 1.231 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN(C(C)=O)C1 1740610650 HVJPZAUYYNRQHJ-MOPGFXCFSA-N 460.579 1.914 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1740615422 DJAZYKBEMJRNHQ-RTBURBONSA-N 451.637 1.559 30 10 JDEE C#CCN(c1nnc(CC)n1Cc1ccnc(OC2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 1740626497 VHIPTAGMPJVUGT-GOSISDBHSA-N 459.572 1.468 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740644807 VAMWNDPBLMFILL-ANULTFPQSA-N 475.615 1.279 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1cccs1)N1CCOCC1 1740653645 SSAQYZCJOSVHQX-OALUTQOASA-N 452.584 1.827 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCSC1 1740686826 WYFUUNDPQCVAIH-VGSWGCGISA-N 481.619 1.541 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1740708058 ANXTUXVQIQBQDP-FNZWTVRRSA-N 465.598 1.959 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)OC)C1 1740759200 AWTHYMUTXMSHPJ-XDNAFOTISA-N 452.577 1.551 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1740824980 GWNSNQZSDHABJF-HSALFYBXSA-N 496.678 1.655 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1740953911 VMFWGXIKTHCXFU-FUHWJXTLSA-N 470.574 1.946 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(N2CCCCC2=O)CC1 1740993202 ZHONNQKPAAXBFK-QGZVFWFLSA-N 451.593 1.364 30 10 JDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1740997178 NHAIXXQAWGRKAB-KRWDZBQOSA-N 492.627 1.755 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCS(C)(=O)=O 1748673752 KSTDNHMUKWSSRI-SJORKVTESA-N 485.607 1.106 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCN1CCCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1748802651 QSDPJZUIADTTGE-OALUTQOASA-N 464.636 1.308 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1cccnc1OCCOC 1748888414 VXAPNVTXDFDDAW-UHFFFAOYSA-N 462.510 1.937 30 10 JDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)N1CCOCC1 1748920350 KBOYCWJHBCNNPN-UHFFFAOYSA-N 459.620 1.809 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)Nc1c(C)cccc1C 1748930142 ZIVXFPMVUPBPKF-GOSISDBHSA-N 474.587 1.326 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCS(=O)(=O)NC)CC1 1749003426 JMQNAYRJZKXFSV-UHFFFAOYSA-N 484.626 1.263 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(C)(C)C(=O)NC)CC1 1749014446 JZPFGCJUMUPRTD-HXUWFJFHSA-N 480.569 1.529 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCSC 1749129271 BYDDALAVEQJUHN-KSZLIROESA-N 473.665 1.782 30 10 JDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1749187827 PXBWBVIEXVSQHU-DJIMGWMZSA-N 475.575 1.438 30 10 JDEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1749406320 HDLFEDDTTSDQBA-UHFFFAOYSA-N 484.605 1.003 30 10 JDEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1749430083 IXKPFYMADYCOLO-IBGZPJMESA-N 491.637 1.811 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@H](OC)C2)cc1 1749686770 YJMKKQGJVNDKLY-SFTDATJTSA-N 491.614 1.839 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1749706985 SSLQPYOTISHUJZ-DLBZAZTESA-N 455.485 1.723 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1749740222 SGXYXEXNJCEORN-QGZVFWFLSA-N 475.571 1.278 30 10 JDEE CC(=O)N1CCN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H](C)C1 1749870138 OYAKHSNACXMPLO-ANEHGGCBSA-N 477.569 1.647 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCSc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1760186565 DLDMCJWJWNWIBD-IEBWSBKVSA-N 473.624 1.957 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1760210740 VWHSXTPNSUJIKU-OALUTQOASA-N 485.614 1.020 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC=C 1760234076 SSUAKVBHRBRFFN-HXUWFJFHSA-N 459.572 1.684 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CCN(C(C)=O)CC2)CC1 1760255088 BRPUOJGAIZESGW-UHFFFAOYSA-N 484.626 1.362 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1760259840 QLJQVQUGWYUDDG-ROUUACIJSA-N 456.513 1.538 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](OC)C(C)C)CC1 1760266245 UCXBRYGPHYIHRO-RDPSFJRHSA-N 461.607 1.956 30 10 JDEE C#CCSCCn1c(C)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1760274863 OFHXNQCYXBXHTC-BZUAXINKSA-N 455.606 1.079 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1760279102 QZOLDAQUMZDVPU-GOSISDBHSA-N 456.620 1.178 30 10 JDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760284963 WISWBHFIYVLVRB-UGKGYDQZSA-N 467.643 1.619 30 10 JDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1760347744 UHWZEBHRCCBNND-HXUWFJFHSA-N 454.575 1.539 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1760413170 ZQGURFUHJYRZRE-MSOLQXFVSA-N 487.692 1.890 30 10 JDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC2CCOCC2)c1 1760456741 WIULNWGXDHRSBN-HNNXBMFYSA-N 450.565 1.512 30 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HDDWFHNZWJHBSE-UHFFFAOYSA-N 495.628 1.737 30 10 JDEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)sc2c1 1866235670 JBKGYSLHBXZRAE-CQSZACIVSA-N 497.599 1.858 30 10 JDEE CCOC(=O)c1sc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(C#N)cc3)c2=O)nc1C 1870103597 LLKVSBDSAPLMLL-UHFFFAOYSA-N 478.494 1.488 30 10 JDEE C=CCn1cc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)cc1CN(CCO)CCO 1870339365 NINXRIXIEYKLGD-UHFFFAOYSA-N 469.460 1.857 30 10 JDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)cn1CCOC 1870428322 CEVJWAGSOFECIJ-UHFFFAOYSA-N 481.557 1.163 30 10 JDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCC[C@@H]2C#CCN(C)C)cc1 1891264473 HVGMEWIOHPFWIR-RBBKRZOGSA-N 460.600 1.744 30 10 JDEE COCc1cn(CC2CN(C(=O)[C@H]3SCC(=O)N(C(C)C)[C@H]3c3ccc(C#N)cc3)C2)nn1 1891322970 QOKPKDHUHIXPSZ-VXKWHMMOSA-N 468.583 1.848 30 10 JDEE CCOP(=O)(OCC)c1c(S(C)(=O)=O)nn(CCC#N)c1I 2080464087 YHOYJEGZMSMAQE-UHFFFAOYSA-N 461.218 1.696 30 10 JDEE CC1(C)OB(c2cc(C(=O)NC[C@H]3CN(C(=O)OCc4ccccc4)CCO3)[nH]n2)OC1(C)C 2255626289 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10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1722698922 PFSNZXIEPSRACT-QGZVFWFLSA-N 453.547 1.875 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1722752179 XVTDGSZANNEZLH-UHFFFAOYSA-N 470.555 1.211 30 10 JDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](N2CCOCC2)C(F)(F)F)CCO1 1730589405 CSOOZLAXSBMPPS-MOPGFXCFSA-N 480.491 1.931 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(OCC(F)(F)F)c1 1740533154 POTUOUHRWDUGNI-QWHCGFSZSA-N 460.482 1.731 30 10 JDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1740576342 VDAJFDULZPSRPW-NRFANRHFSA-N 481.626 1.882 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CN(C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1740622196 AOYCCPQUDOCXLO-RTWAWAEBSA-N 484.626 1.356 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1740626954 XERQNEQWJWMASF-AVRDEDQJSA-N 455.540 1.391 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1740627075 XOGOYAJUDTWFKB-OAQYLSRUSA-N 495.605 1.734 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740627689 IYSZAMKHAUEBKT-MFSJNOQSSA-N 488.610 1.586 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740628138 VSFVUVFLAMMSCU-QHAWAJNXSA-N 457.600 1.712 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CCOC2)CC1 1740810850 HHNVTKFAJPNNHA-SJORKVTESA-N 460.000 1.616 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCN(C(C)=O)CC2)C1 1740983112 BIRSPIGUZLPTPU-FQEVSTJZSA-N 459.620 1.579 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1740987882 NRLNPNDHPMTELX-OAQYLSRUSA-N 460.560 1.933 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740988637 LCFCHPPKCFGRCM-UHFFFAOYSA-N 489.989 1.786 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1740993292 WHBFDCYQMCFDJK-YJBOKZPZSA-N 450.634 1.908 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)CC1 1741001912 DOVYLBJPUKQDNP-YLJYHZDGSA-N 473.665 1.926 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2ccnn2)CC1 1741002332 HLKSTHXHYCUXJK-KRWDZBQOSA-N 451.622 1.608 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccsc2)CCO1 1748222377 GVFDNOATVRVDQI-AUSIDOKSSA-N 482.566 1.649 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1748731605 HOXOARAFXCLBSS-SFHVURJKSA-N 474.635 1.850 30 10 JDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)N1CCN(c2ccccc2)CC1 1748941048 VOLGYYYSUDNVIO-REWPJTCUSA-N 466.586 1.810 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1CCCO 1748945244 NYWOQJNXOHYFSL-IRLDBZIGSA-N 489.617 1.806 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2OCC=C)CC1 1748989474 MHICYMVKBRHFJZ-FQEVSTJZSA-N 455.584 1.549 30 10 JDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1749199417 PVOHEFJLAYYXSH-MRXNPFEDSA-N 466.633 1.954 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCOCC1 1749531004 BMNGPPXHLFLXTR-KNQAVFIVSA-N 484.626 1.965 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCS(=O)(=O)CC1 1749723524 AESSSHRXMDNKCL-SFHVURJKSA-N 482.628 1.871 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1749732075 OTLSUGRQYYYUIR-LJQANCHMSA-N 492.646 1.449 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c[nH]nc2c1 1760118226 ZTLVBZNLEJSLMM-KXBFYZLASA-N 457.560 1.188 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)ccc1OC(F)F 1760175565 MMALDIUMCWVTRX-KRWDZBQOSA-N 469.514 1.639 30 10 JDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1760181116 PVKBPYDJAUNNQT-MSOLQXFVSA-N 450.561 1.887 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1760186258 LMWLYUIOLKNPKD-VFNWGFHPSA-N 452.527 1.935 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760190600 XSLCRCKKZDZWHP-MRXNPFEDSA-N 475.575 1.277 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCc1cnc2c(Cl)cnn2c1 1760193872 UKRSXRKUUWMJPA-UHFFFAOYSA-N 459.901 1.937 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccc(C)c(F)c1 1760225700 WJLWWEDWLDJNEY-OAHLLOKOSA-N 450.540 1.225 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCc2nc3ccccc3[nH]2)CC1 1760265301 WGRHLIHXQBBSKM-UHFFFAOYSA-N 476.585 1.891 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCN2CCOC[C@@H]2C)CC1 1760270792 AINHBUCYJDPIKY-NRFANRHFSA-N 480.613 1.852 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)s1 1760282194 XMBHUHDPUPCDAA-QGZVFWFLSA-N 469.658 1.984 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1760284753 RBPVWRCWPVSBLO-TZIWHRDSSA-N 487.674 1.146 30 10 JDEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1760303238 HOUWTMFSWQGVSI-AWEZNQCLSA-N 481.376 1.471 30 10 JDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760308159 ZBFWQWCPYNCUOX-KBPBESRZSA-N 465.356 1.613 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCNC2=O)CC1 1760412082 HUJSHQRJHWKSFK-GOSISDBHSA-N 495.650 1.207 30 10 JDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1760453217 YNHOPJOSYDLWTF-UHFFFAOYSA-N 465.620 1.931 30 10 JDEE C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1760506417 QUIAWSGDTRBXAD-HXUWFJFHSA-N 452.559 1.513 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1760521828 FDIMJKSCIBEZEZ-AEFFLSMTSA-N 463.560 1.261 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCN(c2ccncc2)CC1 1760693000 FKFNARZTAFHVEZ-UYAOXDASSA-N 451.579 1.432 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCSCC2)c1 1768522983 BKJQHAKBECZLCA-OAQYLSRUSA-N 493.634 1.686 30 10 JDEE N#Cc1c(NC(=O)COc2cccnc2NC(=O)NCCN2CCOCC2)sc2c1CCC2 1858788459 FCROBCCKRBFZQJ-UHFFFAOYSA-N 470.555 1.975 30 10 JDEE CCCCCCCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871712266 XWQFGSGYDQTHJM-UHFFFAOYSA-N 460.579 1.794 30 10 JDEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255854874 IEYFYVQLQYLYGE-UHFFFAOYSA-N 451.354 1.252 30 10 JDEE CO[C@H](C)[C@@H](CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)NC(=O)OC(C)(C)C 2256621250 RVTGVSWOHAHJAX-VXGBXAGGSA-N 456.374 1.516 30 10 JDEE CC(C)(C)OC(=O)NC(CO)(CO)CNC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2258275600 ITWFVJAATNHBRJ-UHFFFAOYSA-N 456.370 1.025 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1C(F)F 2267089556 FVEULYAIURWHIJ-QWHCGFSZSA-N 456.299 1.939 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1CO 2267144430 WLSXMQIKFNXGLV-UKRRQHHQSA-N 450.345 1.057 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)OC(C)(C)C 2267182760 JDDBKLLZYFNCJL-LSDHHAIUSA-N 450.345 1.131 30 10 JDEE C[C@@H]1C[C@@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267470635 AEMWTBPQDJCWFH-ZIAGYGMSSA-N 470.401 1.396 30 10 JDEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 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Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC1(C)CCN(C(=O)OC(C)(C)C)CC1 2282338896 QOMYFUGIOCIRPN-UHFFFAOYSA-N 484.428 1.787 30 10 JDEE CN([C@@H](CNC(=O)OC(C)(C)C)C1CC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282350111 IWDHDLGOEGUAOJ-HNNXBMFYSA-N 484.428 1.643 30 10 JDEE COc1ccccc1[C@@H]1C(=C(O)c2cnc(C)nc2C)C(=O)C(=O)N1CCN1CCOCC1 2296616792 GHZYWJCQHMIGIF-OAQYLSRUSA-N 452.511 1.856 30 10 JDEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C1CCN(S(=O)(=O)N(C)C)CC1 2297649663 ARQMOMNRYLBSOL-MSOLQXFVSA-N 487.548 1.894 30 10 JDEE CCN1CCN(c2c(C=C3SC(=S)N(CCCC(=O)O)C3=O)c(C)c(C#N)c(=O)n2C)CC1 2314457774 XMPQHLLLANXKLM-UHFFFAOYSA-N 489.623 1.773 30 10 JDEE C/C(=N\Nc1nc(SCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)n[nH]1)c1ccccc1O 59830535 SEHZDHUXPVKKAA-YSURURNPSA-N 451.468 1.961 30 10 JDEE CCOC(=O)[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cc(OC)ccc2OC)[C@@H](C#N)C(=O)N3)C1 72445685 IFCKOGCGDFUMSG-QBIMZIAESA-N 481.509 1.790 30 10 JDEE CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C 253530591 NKDFYOWSKOHCCO-OTICJPLLSA-N 480.642 1.854 30 10 JDEE biogenic C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)Nc3nnc(COC)s3)cc21 586351471 OWWOXMCLJZWBKR-HKBQPEDESA-N 464.525 1.166 30 10 JDEE C#CC[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757254270 YXLWAUJJHODFKO-FCHUYYIVSA-N 498.557 1.921 30 10 JDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCC(=O)NCc3nc(C)no3)C(=O)[C@]12C 1075952337 KEHOPCNCFBFMNR-AFAPPVNZSA-N 496.476 1.166 30 10 JDEE CC(C)c1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)o1 1084169892 CQPQESPNSGDTEL-UHFFFAOYSA-N 490.462 1.982 30 10 JDEE COc1ccc(CNC(=O)CSc2nnc(NN=Cc3cc(OC)ccc3O)n2N)cc1 1084275449 DSPBCDFSWCCWDQ-UHFFFAOYSA-N 457.516 1.569 30 10 JDEE C=C(C)CN1CCC(NC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 1226798689 VADUGWKUJXTOIJ-UHFFFAOYSA-N 451.549 1.651 30 10 JDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1286335752 DXSBKSMIUMZOBL-NRFANRHFSA-N 469.634 1.727 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1286381470 GNKXZHCMYKPAIN-OXJNMPFZSA-N 454.618 1.453 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H](C)CN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1286382958 BRBVZNRZDIZCOE-NJYVYQBISA-N 464.680 1.692 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286392025 HMBKBVBUNSBMEP-GUDVDZBRSA-N 495.646 1.958 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CSC)cc1 1286410703 VQGRGHIROJAIEP-FQEVSTJZSA-N 473.624 1.595 30 10 JDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCS(=O)(=O)N2CCSCC2)CC1 1286483538 PBPFBFFNUSFHKN-UHFFFAOYSA-N 488.683 1.197 30 10 JDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286499694 JWDWVJJSNFGJDH-UHFFFAOYSA-N 483.554 1.147 30 10 JDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](NC(C)=O)C1 1286506222 GVFXFGAHQMISTE-HXUWFJFHSA-N 468.631 1.923 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286671848 ADCMYUCHKOUVJU-MRXNPFEDSA-N 473.665 1.643 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1286773716 QPKKIDRDWKYSGC-RDGPPVDQSA-N 471.624 1.453 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1286813873 DZHUFPLYLIAGMS-MSOLQXFVSA-N 489.554 1.862 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(CO)CC1 1286814743 FUZDPYQCZGIKBQ-UHFFFAOYSA-N 450.561 1.772 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](OC)C1 1286820246 HXZLFAHJMLHXEQ-ROUUACIJSA-N 499.634 1.803 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1286820999 XUMVCEUPMPBIJF-SFHVURJKSA-N 491.614 1.991 30 10 JDEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCNC(=O)[C@@H]1CC 1286828212 JEXPSGQVGOVMJW-INIZCTEOSA-N 463.633 1.872 30 10 JDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCSC1 1297667722 HSCFFAVSLXVESN-KKSFZXQISA-N 479.628 1.856 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCCN1CCC[C@@H]1CO)[C@@H]1CCS(=O)(=O)C1 1300488618 TVEAJEIHDJATLL-RTBURBONSA-N 460.604 1.137 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@](C)(O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1300495919 KTILJIITOQJIDF-WVBUVRCRSA-N 479.002 1.970 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300498203 IRJWETQWSMDMJQ-WOJBJXKFSA-N 468.583 1.787 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(NC(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1300506016 LLTHIMNATYLBMY-VQTJNVASSA-N 486.598 1.898 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCS(=O)(=O)C1 1300561256 MSMZJZWMGASMJY-GOSISDBHSA-N 489.623 1.093 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)CN2CCCCC2)CC1 1300719940 WOGIKTFHMNZAJS-LJQANCHMSA-N 450.591 1.823 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1300731300 NIIKELVCNPFXGL-OAQYLSRUSA-N 464.526 1.110 30 10 JDEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1300950602 IVUFPEFXFSICTP-SFHVURJKSA-N 460.608 1.546 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(F)c1 1300991196 QKTCWWDIHCBBOL-LJQANCHMSA-N 467.567 1.979 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1301474645 DQODGOPTEDWZEC-HZPDHXFCSA-N 463.583 1.458 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](CCC)C1 1301503207 VYJGSRHPICGQBO-MSOLQXFVSA-N 478.594 1.894 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1301515654 WUYWOBWXDBZSKJ-UHFFFAOYSA-N 465.558 1.914 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(OC)c2)C1 1301556973 LCLYKWSWRPSMDF-PMACEKPBSA-N 477.587 1.449 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)[C@H]1CC 1301567280 GQNJCWYXPWTTAC-QGZVFWFLSA-N 495.005 1.177 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C)cc2)CC1 1301592888 FYXQCNNQTPEGFZ-UHFFFAOYSA-N 472.615 1.636 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1301594478 DLBOFQNJSKVXDW-UHFFFAOYSA-N 479.632 1.705 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1358959943 SIVOZOCWOFILGM-ZWKOTPCHSA-N 492.623 1.405 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1358987454 HDWOZVHFLSOOBL-XTQSDGFTSA-N 492.561 1.338 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1358989525 FZNXZCCXBXRRHC-ZNTNEXAZSA-N 474.521 1.952 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(C)COCCO2)CC1 1359046443 RVEHYQVVHPBNLE-VWLOTQADSA-N 467.570 1.649 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc(Cl)cn1 1359069864 AEJGALPZKVMJMQ-QFBILLFUSA-N 467.983 1.153 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nccs1 1359099833 TZRXYUZFZFLHPM-BQFCYCMXSA-N 482.632 1.685 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1359303438 OMAHZDJRQCQMDN-UHFFFAOYSA-N 480.548 1.630 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCCCC1 1359473652 FZSYLMJMXDVLLA-ROUUACIJSA-N 467.640 1.471 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 1436121854 VKRIGIPEKFWCBJ-UHFFFAOYSA-N 458.584 1.909 30 10 JDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 1463841174 BKJHTWNNNJNYDV-DOTOQJQBSA-N 456.524 1.773 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)CC1 1477339876 OFFCXCMJVJDQAV-UHFFFAOYSA-N 459.553 1.851 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1507588351 KMWMPRYWIVPKSC-MSOLQXFVSA-N 460.560 1.077 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1507631535 FGPNUGXROKLYKC-ZWKOTPCHSA-N 480.587 1.189 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccccc1Cn1cccn1)[C@H]1CCS(=O)(=O)C1 1507637745 MUWFJIGPDQUGKQ-NRFANRHFSA-N 468.583 1.734 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507708897 OTUHBWYVBNJHEH-SFHVURJKSA-N 470.599 1.804 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)N[C@@H](C)c2ccccc2)CC1 1507720415 DINLMDANCOGXRT-PMACEKPBSA-N 487.674 1.773 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)c2ccccc2F)CC1 1507725838 BLHPIPYPAFCQSR-UHFFFAOYSA-N 464.549 1.464 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](OC)C(C)(C)C)CC1 1507734341 VSPVOGWBDAAHNH-GOSISDBHSA-N 467.574 1.952 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1507793675 FOBGLHWPAUJPHU-VQTJNVASSA-N 456.572 1.880 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1507844053 BFSKVECJWTYWQI-UTKZUKDTSA-N 454.593 1.547 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C[C@H]1CCOC1)C1CC1 1508092513 QGRHJKXXHHVRRK-MJGOQNOKSA-N 490.605 1.894 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(=O)C(C)C)CC1 1508139527 BUUOUXJXSJFGQM-SFHVURJKSA-N 453.609 1.862 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCSC3(CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1508149171 PBHHYTFMTQKFKF-NRFANRHFSA-N 486.660 1.633 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1508187094 PHLUJPMDGQQCHU-HKUYNNGSSA-N 464.530 1.110 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCc1ccco1 1539017326 ZLOSFCDCBROBQQ-SJLPKXTDSA-N 472.546 1.954 30 10 JDEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1539212576 RBBCQMYARHLBTQ-INIZCTEOSA-N 480.388 1.423 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1539215460 CSIZJPSPVOLXSZ-KRWDZBQOSA-N 458.519 1.501 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1Cc2ccccc2O1 1539325634 KIZOUHOHYPFOJK-CTNGQTDRSA-N 469.567 1.078 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1CCS(=O)(=O)N1CCSCC1 1539403723 WTWPPIOMPMQJBA-UHFFFAOYSA-N 453.590 1.311 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1539427648 GBHGKGDKURITHN-HXUWFJFHSA-N 484.626 1.727 30 10 JDEE 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C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760517077 BQPQBRPEJIDRFB-UHFFFAOYSA-N 486.483 1.435 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1760523994 MNCQDIUJOMCWLM-OAHLLOKOSA-N 460.564 1.529 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1760526048 BKTOYLDHSZJBKK-UHFFFAOYSA-N 480.573 1.615 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCNC(=O)[C@H]1CC 1760551154 VIMRBVNDBXBVQQ-LJQANCHMSA-N 469.571 1.651 30 10 JDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)CC1 1762053966 CYKYIDTUKZRMBW-KRWDZBQOSA-N 462.562 1.030 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1766944185 HOGOEYQLEWSAGP-FQEVSTJZSA-N 467.555 1.681 30 10 JDEE CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)C1CC1 1769619972 DROSQYVEQSPPTK-BEVDRBHNSA-N 474.587 1.763 30 10 JDEE COCCN(C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1769782724 BEOLFXDQRDDLPO-SFHVURJKSA-N 461.954 1.168 30 10 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30 10 JDEE N#C[C@H]1CN(S(=O)(=O)c2cc(Br)cnc2NN)CCN1Cc1ccccc1 1914880872 DLXXKTNWKAESIJ-HNNXBMFYSA-N 451.350 1.528 30 10 JDEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180985960 VVJURTDBLKJBTM-HOTGVXAUSA-N 462.356 1.986 30 10 JDEE CC(C)(C)OC(=O)NC1C[C@H]2C(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)[C@@H]2C1 2256619513 ZTHIJFCQTZAMKH-QZQSVVMZSA-N 450.370 1.747 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)C[C@H]1CCCO1 2267358484 ZABXDTKNJPPDIA-QGZVFWFLSA-N 462.381 1.484 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@](O)(CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267477595 NOAYIPLBTCEHKA-NRFANRHFSA-N 467.397 1.934 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)n1 2267527630 KBZJXMMIMXGLNI-AWEZNQCLSA-N 452.361 1.160 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(CCNC(=O)OC(C)(C)C)C1 2267711039 FBXICGOSGXLENR-UHFFFAOYSA-N 470.401 1.255 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@]2(CCOC2)C1 2281926023 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C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1[C@@H](C)c1ccccc1 729670085 ZXDYLPJOSMQUCE-KRWDZBQOSA-N 455.543 1.972 30 10 JDEE C#CC[C@]1(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CCCN1C(=O)OC(C)(C)C 1126179623 NKPZFTKFHSFXDB-LAUBAEHRSA-N 457.593 1.384 30 10 JDEE C#CCn1cc(CNC(=O)[C@@H](NS(=O)(=O)c2ccc(Br)cc2)C(C)C)cn1 1156662142 YFGLPHGETDSAOA-KRWDZBQOSA-N 453.362 1.898 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1286387575 GNJCTYBOVZQCNK-KNQAVFIVSA-N 455.540 1.249 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1286394214 HUIZTEBGTYRZAI-IBGZPJMESA-N 479.566 1.446 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(Br)n1)[C@@H]1CCS(=O)(=O)C1 1286399007 WHACZBHSKDTREW-HZPDHXFCSA-N 480.388 1.962 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccc(OC)c1)N(C)C 1286448566 YESKXRSWPRZKDA-SFTDATJTSA-N 490.630 1.382 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1286485739 WSPUPIILDZOGDU-GOSISDBHSA-N 482.585 1.858 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)CCOC)CC1 1286487379 NTPAGZWAPDFDAY-DEOSSOPVSA-N 450.543 1.570 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286762814 NCHZBBNHJVMLQG-AVRDEDQJSA-N 459.572 1.014 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1286776156 GFLVXARGJOFQOO-IBGZPJMESA-N 492.005 1.649 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1286789352 FJBIBTPGNXQNTC-IBGZPJMESA-N 455.588 1.951 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CCC(OC)CC2)C1 1286810559 SSVCVLKRBJTVEH-VFUGHAIPSA-N 497.662 1.988 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](C(N)=O)C1 1286816033 DVNGCRLDJNEGNM-KRWDZBQOSA-N 454.556 1.796 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ccc(Cl)cc1 1288869325 HOHADGNYIVCZLT-CJNGLKHVSA-N 454.940 1.349 30 10 JDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CCN1CC(F)(F)F 1291223207 CGDKKFJTTHITLO-MGPUTAFESA-N 498.531 1.439 30 10 JDEE CCCNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1294810909 HEABSAGIWCTPMF-HXUWFJFHSA-N 495.584 1.330 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1300502378 SECMHACDCPGDTA-KRWDZBQOSA-N 493.536 1.677 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(C)C(C)C 1300560586 FKRBXWRWQCGKMS-UHFFFAOYSA-N 456.616 1.999 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(CC)CCC(F)(F)F)CC1 1300680391 AEUGOCGUELMDIS-UHFFFAOYSA-N 455.529 1.544 30 10 JDEE C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCS(=O)(=O)CC1 1300852972 GSZRFAFXCMZXAC-UHFFFAOYSA-N 451.350 1.660 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1301490548 AFNFHYVZLNMLSH-UHFFFAOYSA-N 451.556 1.975 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1N1CCOCC1 1301509880 OZXLEYGCSMOMMS-UHFFFAOYSA-N 467.574 1.176 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1301578745 HPQJUAQFXZUNRY-UHFFFAOYSA-N 486.573 1.872 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1301588656 IILHQUHNYQDWRQ-IAGOWNOFSA-N 496.611 1.057 30 10 JDEE C#Cc1cccc(N(CC)CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 1307575964 LXUHLBBXCLISCM-UHFFFAOYSA-N 456.524 1.936 30 10 JDEE CCS(=O)(=O)NCCn1c(CC(C)(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1314556706 HUJXXXIJBKJZQC-UHFFFAOYSA-N 477.639 1.046 30 10 JDEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1314676818 BBFYOKSROBWECV-INIZCTEOSA-N 488.492 1.388 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)c(OC)c1 1358889562 DHCBFUHWLFUBRS-KBXCAEBGSA-N 467.979 1.779 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C(C)C)N1CCCC1 1358890474 PXYTZNBSYUWIHI-IPMKNSEASA-N 452.625 1.189 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1358958669 TYCSTALXVLLALZ-WIYYLYMNSA-N 463.991 1.292 30 10 JDEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1358959481 JRBILACXSHMGBI-JPYJTQIMSA-N 490.582 1.131 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([S@](C)=O)CCC1 1358987964 YIKFTWAZQDCNKM-YTTGMZPUSA-N 487.651 1.960 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCCN2CCN(c3ccncc3)CC2)CC1 1359042276 YXBYXJPDICESSV-UHFFFAOYSA-N 450.591 1.160 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1359150740 FTMARQYBTPJZCF-ZWKOTPCHSA-N 499.041 1.488 30 10 JDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1359172216 OHCBBTBEUNVOLK-UHFFFAOYSA-N 458.588 1.873 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359287508 HNDNFKRZDZVRDO-OALUTQOASA-N 489.621 1.515 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1359287718 RVBCXXBIKMDOIS-RBUKOAKNSA-N 463.560 1.384 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1359305962 RROANCUSWINMSU-JOCHJYFZSA-N 464.567 1.290 30 10 JDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1359346012 YBGAXUBPXNLKEW-CQSZACIVSA-N 460.526 1.825 30 10 JDEE C#CC[C@]1(C(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)CCCN1C(=O)OC(C)(C)C 1435607880 BBIKMXZUOZFBKB-GAJHUEQPSA-N 453.547 1.954 30 10 JDEE Cc1ccc(OC(F)F)c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1492302334 DSEYVNMLINUDOZ-HOCLYGCPSA-N 467.498 1.867 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1507564326 PHZZRYXLVLRVFF-VXKWHMMOSA-N 492.690 1.215 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1ccc(C)n(C)c1=O)[C@H]1CCS(=O)(=O)C1 1507634879 ODVCUHWUIULSGB-NRFANRHFSA-N 495.605 1.560 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1507636023 XFLMYYUSOVRODV-HXUWFJFHSA-N 481.578 1.978 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CC(=O)N(CCOC)C1 1507642837 BMHZVKJVIZRHCY-IBGZPJMESA-N 457.538 1.903 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1507738863 GKPKBGFIHQXTMS-IEBWSBKVSA-N 463.604 1.310 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nc(O)c2ccccc2n1 1507747362 WMAQNXMEKCURAD-AWEZNQCLSA-N 475.600 1.540 30 10 JDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1507751969 SRYCUXIRPCKSOI-SFHVURJKSA-N 455.588 1.359 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1508079476 XETJEVYDNYKCIZ-INIZCTEOSA-N 463.560 1.278 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc2ccccc2s1 1508093784 WDVXVSANVBHBBY-CQSZACIVSA-N 460.585 1.729 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCN(CC(F)(F)F)CC2)C1 1508112458 AKOSAIKSMVCOIL-RDJZCZTQSA-N 494.584 1.944 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCCC[C@@H]2C)C1 1508125537 PJCXBGMDWRIVPV-HBMCJLEFSA-N 496.678 1.657 30 10 JDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1515312978 DWPUQJYWJUJBPZ-HXUWFJFHSA-N 494.600 1.789 30 10 JDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1539124444 GKNIKIGIBVFMTH-QZTJIDSGSA-N 496.634 1.518 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1539477586 RSEQOVYSKQUFDA-FQEVSTJZSA-N 464.570 1.471 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCC2(C)C)CC1 1539480896 GCECOOVYGCWVAE-OALUTQOASA-N 461.632 1.972 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(C(C)=O)CC1 1539729765 SCEIVYAXXOSDEV-UHFFFAOYSA-N 461.588 2.000 30 10 JDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1540078086 YKGFONJVNCGXCL-SJORKVTESA-N 484.623 1.490 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1540869211 FPKOLMAPYCHKIK-GDBMZVCRSA-N 486.964 1.435 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C1 1540892037 DOLXUSHHRPAPTP-ZACQAIPSSA-N 469.608 1.875 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1540907812 JFXQYTMFYSTJQH-NSHGMRRFSA-N 481.619 1.194 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1540908609 JWIGWDSKCCTOSF-VQIMIIECSA-N 475.571 1.181 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCNC(=O)C1 1540908776 NPQQLESRBVKVTM-UHFFFAOYSA-N 474.370 1.701 30 10 JDEE CC(C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)N1CCOCC1 1541239140 GSEDHDJLZGRVMH-LJQANCHMSA-N 458.588 1.551 30 10 JDEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)on1 1543455769 FKUXKPZTBJNFRT-INIZCTEOSA-N 471.543 1.544 30 10 JDEE C#CC[C@@]1(C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1544446563 YRUGSQRWFJEMNJ-GUYCJALGSA-N 455.499 1.718 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588025141 SYBNEHMXVLPZIH-OALUTQOASA-N 459.572 1.431 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588030171 PUGVYUBDAYNVBZ-RDJZCZTQSA-N 457.622 1.095 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588045278 ITAKMJACHUTMDV-SFHVURJKSA-N 485.591 1.441 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1588069615 RHBJQIWSJLHGIZ-NRFANRHFSA-N 476.562 1.993 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NCCC 1588138440 CRUKHDXNQIGENR-SFHVURJKSA-N 458.563 1.576 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1588140031 SFYAGNPYBCGVGU-JBACZVJFSA-N 471.558 1.942 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1589664311 XRYWKVNPODIJMK-VGOFRKELSA-N 499.634 1.539 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(c2ncccn2)CC1 1595593463 DTXQBIUOGGLDPD-UHFFFAOYSA-N 462.558 1.838 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)C1 1615980217 BEONXPIPEZMQQD-FQEVSTJZSA-N 498.613 1.645 30 10 JDEE CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC1CC1 1618296864 GPIWNAFWBXPEPN-UHFFFAOYSA-N 451.575 1.890 30 10 JDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)Cc1ccccc1 1645543008 HYFGBMXKENECCC-UHFFFAOYSA-N 456.524 1.563 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(CC#N)CC3)n2Cc2cnnn2C)c1 1649662422 DZQHKNCHEKZHLY-UHFFFAOYSA-N 469.575 1.502 30 10 JDEE COC(=O)[C@H](O)C1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 1653830000 FKDDMLXCDJDISY-HTAPYJJXSA-N 458.559 1.602 30 10 JDEE COc1ccc([C@@H]2CCN(S(=O)(=O)N(C)CCC#N)C[C@@H]2NC(=O)C(F)(F)F)cc1F 1662973614 GBRVQCYLILUZAR-ZFWWWQNUSA-N 466.457 1.761 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)CC1 1672596170 PQXGYTODSCUAKX-UHFFFAOYSA-N 458.588 1.846 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1689978183 OMBCIKHFBLXWJU-OAQYLSRUSA-N 486.642 1.938 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1689982819 VIQULWATFWCSQH-OFNKIYASSA-N 476.574 1.939 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCC(O)CC1 1690003257 JACDFKLXIMIRSM-UHFFFAOYSA-N 483.642 1.466 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(=C)Br)CC1 1690122220 KSORBQNTCPBFHF-UHFFFAOYSA-N 468.359 1.856 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCc2cccc(C(N)=O)c2)CC1 1690150837 XKGHZVNMEABOGB-UHFFFAOYSA-N 491.621 1.941 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Oc2ccccn2)C1 1690155109 GBESRNWFNHUOGM-HZPDHXFCSA-N 450.590 1.307 30 10 JDEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690221481 XJIFYORDXDSIES-CQSZACIVSA-N 465.739 1.654 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1690722733 UAYOSHBRTMMRSP-UHFFFAOYSA-N 488.662 1.331 30 10 JDEE CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS2)CC1 1698312321 FIGWGDSCLCOLQS-GOSISDBHSA-N 462.601 1.706 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1705634982 NXGIQXCQESPOJM-VRUMLPLGSA-N 488.677 1.962 30 10 JDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC2CCN(C(=O)OC)CC2)CC1 1705641182 VYWJZQGNMRZMBI-UHFFFAOYSA-N 457.604 1.867 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccn(C)n1 1705861764 OBNGBSKJNRJGPD-FQEVSTJZSA-N 471.587 1.585 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1705907534 POUGVMDZDJGKMC-YTTGMZPUSA-N 455.588 1.816 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(=O)NC)CC1 1705931211 JFBZNCUGAGZEBC-UHFFFAOYSA-N 485.408 1.599 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1705932464 DTMBXEWFMKRPOM-WOJBJXKFSA-N 462.572 1.939 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCSC1 1705934877 ZRRYMQYDTJDKKR-HNNXBMFYSA-N 474.612 1.735 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1705937311 PQORORUJKWRFFO-UHFFFAOYSA-N 459.494 1.758 30 10 JDEE CCS(=O)(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1710883359 BNBVDJSMHHWCSK-UHFFFAOYSA-N 489.602 1.067 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1722316093 AYXURWUHKJQOIX-QGZVFWFLSA-N 471.649 1.282 30 10 JDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1722329138 BJRTZHSTFZGYHZ-UHFFFAOYSA-N 453.572 1.744 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[S@](=O)C(C)(C)C)CC1 1722434690 XWMPNFRUKPWVML-HKBQPEDESA-N 477.656 1.651 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1722448471 VIGHUGMPWJVFCL-LJQANCHMSA-N 495.571 1.969 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1722452846 XDXIATQWVMAGEO-GOSISDBHSA-N 490.655 1.146 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1722727392 OEAAIAGBVKKHCH-INIZCTEOSA-N 480.978 1.558 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CC2(S(C)(=O)=O)CC2)c1 1740562044 FQFUVFWOJSHRSW-UHFFFAOYSA-N 464.551 1.974 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1740617593 UBSXVSUWVYZMTF-LAUBAEHRSA-N 463.560 1.290 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Cl)ccc1OC 1740686829 XCEUNHMNKDOOKQ-LJQANCHMSA-N 498.005 1.407 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCC(=O)N2)CC1 1740703217 KHCMVUKSPOYMSH-QGZVFWFLSA-N 472.496 1.791 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@@](C)(O)c2ccccc2)CC1 1740706137 QBOPVGWUICGTFS-CJFMBICVSA-N 464.570 1.493 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1740782139 CYKORUDAUBGBKI-HXUWFJFHSA-N 494.662 1.852 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(Cl)nc2C1 1740811512 UWKLSEWNGOZERB-OAHLLOKOSA-N 473.386 1.975 30 10 JDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1740865109 RYBBBDPPGXXVOG-VXKWHMMOSA-N 494.706 1.768 30 10 JDEE C=CCN(CC=C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740926293 URSXTVXANZJICG-NRFANRHFSA-N 479.990 1.590 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1740946645 DZOFIFZMBYWCHB-SFHVURJKSA-N 462.576 1.548 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)Cc3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1740965093 LRCMGHNDXITNTA-RUZDIDTESA-N 482.585 1.124 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2CC2(O)CCS(=O)(=O)CC2)C1 1740980240 GJNQDZCQPMHPDA-GOSISDBHSA-N 464.563 1.729 30 10 JDEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1 1748201566 BOUGAHKQGYKBDG-UHFFFAOYSA-N 451.531 1.217 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1748824768 SSWXOAVJTZUNQB-PZJWPPBQSA-N 482.610 1.840 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CC(=O)N(CCOC)C1 1748829067 SJQKGPLLJDFBQG-IBGZPJMESA-N 497.625 1.114 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc(-c2ccc(C)cc2)n1 1748860607 YJLMDRIMPOJTFP-OAQYLSRUSA-N 494.577 1.696 30 10 JDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1748960886 QITTYZDRUKBQIE-HDICACEKSA-N 472.590 1.980 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCS(=O)(=O)NC)CC1 1748979579 FRGLEDDNXJEVFF-UHFFFAOYSA-N 462.645 1.580 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2ccc(F)c(F)c2)CC1 1749001494 UAYUHYSBBXSJCU-UHFFFAOYSA-N 474.512 1.739 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCOCC)CC1 1749003628 PVAKCDRZWFJMCU-UHFFFAOYSA-N 459.572 1.351 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1749114453 CLVNXBNOROHJND-OAGGEKHMSA-N 472.512 1.902 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1749265994 BGKNFBRKJXHWJC-QGZVFWFLSA-N 461.929 1.882 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(C(F)(F)F)CC1 1749427127 LQXUJXDAAHHQDS-AWEZNQCLSA-N 467.514 1.471 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749655992 WMMIRBCZIUQOKO-QHCPKHFHSA-N 467.530 1.070 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1749660324 NKVNYIMAIUXIKG-KRWDZBQOSA-N 468.558 1.965 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccccc1C 1749669808 OCJMQXMEZYUCDD-HKUYNNGSSA-N 476.603 1.419 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1749724597 KKSZWGLDVSBZNQ-CQSZACIVSA-N 469.365 1.376 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1749738501 NUTSCAUNUVBFQH-LJQANCHMSA-N 492.671 1.274 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC(=O)N2)c1 1760127675 IDGGSYRAZIHQGI-HXUWFJFHSA-N 460.542 1.475 30 10 JDEE C#CCN(c1nnc(C)n1C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCS(=O)(=O)C1 1760181224 RCXVCGBXOLPUKZ-VXKWHMMOSA-N 457.600 1.504 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1760191462 HSGRYAAJVOEUKP-AVRDEDQJSA-N 494.017 1.204 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760192110 QSGRDAQIJOUMGS-GOSISDBHSA-N 459.572 1.271 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN(C)S(=O)(=O)CC 1760217425 APYSCFCFGQPKSS-UHFFFAOYSA-N 481.582 1.728 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2F)n1 1760252563 PNWFAGGRWGNSTP-LJQANCHMSA-N 486.573 1.850 30 10 JDEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760345595 IURIBLXZQVLVMI-IRXDYDNUSA-N 473.578 1.116 30 10 JDEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(=O)NCC(F)F)CC1 1760400929 TVWNQYXKWDBOIP-UHFFFAOYSA-N 457.485 1.976 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1760510469 ZFMFDVUXQDSETD-PKOBYXMFSA-N 480.635 1.272 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1760518892 LBGDWBFGSWSEGT-MRXNPFEDSA-N 452.519 1.546 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccn1 1760566234 PAXQKCSEWTXVGH-QGZVFWFLSA-N 452.606 1.562 30 10 JDEE CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)cc1 1767565843 CXZQOFYPXLZGCS-HXUWFJFHSA-N 474.587 1.798 30 10 JDEE Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N(C)S(=O)(=O)c2ccccc2C#N)cc1 1858000394 LKEOJFVWYXAYNC-HKUYNNGSSA-N 468.578 1.127 30 10 JDEE CN(c1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cn1)S(=O)(=O)c1ccccc1C#N 1858262941 ZCYJGYWMPYQIIU-UHFFFAOYSA-N 477.568 1.388 30 10 JDEE C=CCNC1=C(c2cc(OC)ccc2OC)C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1863714242 QVZMGOPXZQYUAH-UHFFFAOYSA-N 457.508 1.407 30 10 JDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCc2ccc(C)cc2)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865716841 JVRXNYVOQKAHHL-HXUWFJFHSA-N 488.544 1.968 30 10 JDEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CN1CCN(Cc2ccccc2)CC1 1870521387 KMOFKBIPLSECAB-UHFFFAOYSA-N 454.571 1.494 30 10 JDEE N#Cc1nccnc1OCC1CCN(C(=O)c2c3c(nn2[C@H]2CCS(=O)(=O)C2)CCC3)CC1 1891552032 RUGWMKOPJMRQGH-INIZCTEOSA-N 470.555 1.324 30 10 JDEE C[C@@H](COCC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2256605862 OXDPODUXSLGTAD-ZDUSSCGKSA-N 455.386 1.988 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CO1 2256619308 YIVGTNAYTOUEEF-NEPJUHHUSA-N 454.358 1.128 30 10 JDEE COCC1(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267140998 UTQXINGZGFLPKJ-UHFFFAOYSA-N 450.345 1.322 30 10 JDEE C[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C1CN(C(=O)OC(C)(C)C)C1 2267374754 WKRCYCWJZYKYHY-CYBMUJFWSA-N 470.401 1.253 30 10 JDEE C[C@@H]1[C@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2267471576 IIYWUJCAYMAMKZ-VQIMIIECSA-N 460.409 1.661 30 10 JDEE CC(C)(C)OC(=O)N1CCC12CN(S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2267708839 RHSFADCMOVXYKT-UHFFFAOYSA-N 485.437 1.967 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1CC(CNC(=O)OC(C)(C)C)C1 2267717174 YNHBSULSJIGKJD-UHFFFAOYSA-N 470.401 1.301 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2268636708 GOHYNKITLNJVCG-UHFFFAOYSA-N 451.304 1.830 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)n1 2281959155 XYRRKZCCJKYOCC-RBUKOAKNSA-N 451.380 1.708 30 10 JDEE CCn1cc(C(=O)N2CCOC[C@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282039650 YITHWJBIDRGXQX-OAHLLOKOSA-N 464.372 1.568 30 10 JDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282420253 WMUOCYIGMRIXLL-KGLIPLIRSA-N 485.416 1.038 30 10 JDEE Cc1nc(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282508860 CDAIEHQUAONOFE-LPHOPBHVSA-N 474.436 1.969 30 10 JDEE Cc1nc(S(=O)(=O)N(C)C[C@H](O)COCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282509797 PJRKPMQMHWIOEW-SFHVURJKSA-N 479.408 1.226 30 10 JDEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3COC[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2282585081 YKRPZDLJINVOLZ-HOTGVXAUSA-N 462.356 1.180 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=[S@@]2(=O)CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 2282611411 KVCHFFMDAIIQMK-ADAWPZLVSA-N 483.400 1.267 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H]1CO 2282629654 YQUSXMMWBUHFID-GOEBONIOSA-N 462.356 1.124 30 10 JDEE Cc1cnc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c(B2OC(C)(C)C(C)(C)O2)c1 2282649667 CGRXNEZDNNUFQC-INIZCTEOSA-N 461.368 1.743 30 10 JDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2282665086 LJKDXRBNNUVVRT-KRWDZBQOSA-N 460.384 1.662 30 10 JDEE 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C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1286393207 PLEPBSJIYLETQX-REWPJTCUSA-N 458.584 1.232 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1286393936 MIKMJJIJJKWAMV-MRXNPFEDSA-N 457.585 1.353 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1286396521 VTBNCCPLSXJPFM-YADHBBJMSA-N 471.627 1.931 30 10 JDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1286402335 YQKVXAZSMYJMLX-QHCPKHFHSA-N 471.583 1.302 30 10 JDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(S(C)(=O)=O)cc1 1286407791 RIKLUGXEHJGTDB-UHFFFAOYSA-N 451.508 1.530 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1286420020 KHMZRZKSOMKZOP-GBESFXJTSA-N 492.646 1.997 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCC(=O)N1CCOCC1 1286424687 HKNFWBFGGDCWOK-UHFFFAOYSA-N 451.527 1.674 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(C)CN(C)C2=O)n1 1286471081 HOYOIUFXVPTRNL-HSZRJFAPSA-N 482.976 1.955 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc3c(c2)OCCCO3)CC1 1286472291 RSGIFIZHPUKIKX-LJQANCHMSA-N 455.559 1.967 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2cccc(Cl)c2)CC1 1286479087 FFUDIXPWNFFQLZ-QGZVFWFLSA-N 463.991 1.668 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCS(=O)(=O)N(C)C)CC1 1286491057 CPWQKXZNIDRTOZ-UHFFFAOYSA-N 493.033 1.380 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1286495395 ZUJZCMAGBXFVHG-WOJBJXKFSA-N 490.674 1.266 30 10 JDEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286503872 LAHJOROFZNSDQQ-UHFFFAOYSA-N 493.637 1.976 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNS(=O)(=O)CC 1286518479 WHPXSRJDTIWQIY-OAQYLSRUSA-N 494.643 1.127 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCOC1 1286766007 MLASWDDSUIMRCV-HXUWFJFHSA-N 477.587 1.786 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2C)C1 1286809157 GVOTXYWQZDFLSH-UXHICEINSA-N 461.588 1.749 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2nccs2)CC1 1286823246 LIQTUZYPBWAGEU-HNNXBMFYSA-N 471.678 1.981 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1286823462 NWMFQRQBEUMVAY-UHFFFAOYSA-N 484.582 1.423 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286823893 REIJYNGQJFSSCG-OAHLLOKOSA-N 470.559 1.317 30 10 JDEE CCCn1c(CCC(=O)N2CC(C)(C#N)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1297245464 GCABTANAPDZEDV-UHFFFAOYSA-N 459.572 1.772 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCNC(=O)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1300488711 UTJMVWZGCSDBMO-QGZVFWFLSA-N 482.541 1.536 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300503928 HGDZCTPUJQKXSI-HBMCJLEFSA-N 474.631 1.972 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(c2ccccc2F)C1 1300671137 CLAVLSQEZBQJHN-RTBURBONSA-N 475.590 1.932 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1300848315 DDINZKGMGUFYFS-HOTGVXAUSA-N 476.441 1.636 30 10 JDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1301496632 DSFQVEKTDIKOAJ-HNNXBMFYSA-N 457.560 1.199 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1301514220 GSMYTBVWTZZHKL-XFAGBWLFSA-N 466.542 1.804 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)CCCC2)C1 1301558482 WDYLNSMTXZUXNG-QZTJIDSGSA-N 453.609 1.973 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1301578794 JBHBJJFDGRYMOL-HOTGVXAUSA-N 455.606 1.507 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)CC1 1301588745 IVDSUPLUVAKHNA-LJQANCHMSA-N 493.655 1.416 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCOC1 1301589879 ZFCTZMIYNLBBAR-IRXDYDNUSA-N 485.607 1.412 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1301595405 TVTWODMFDLOEAK-JKSUJKDBSA-N 480.664 1.729 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 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C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1359085007 YMAMNNPLHFEUAJ-SNPRPXQTSA-N 478.413 1.381 30 10 JDEE C=C(Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](S(=O)(=O)NCC)C1)c1ccccc1 1359139690 ASYRUQJIMSTDNS-IBGZPJMESA-N 458.588 1.632 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359183097 CRSANRUFPXDPJS-KXBFYZLASA-N 459.638 1.506 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1359216116 PJNCAFNGCIDTRQ-RTWAWAEBSA-N 480.679 1.378 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC(=O)N(C)[C@H](C)C1 1359294552 XFKQBLJVNWWUGT-CYBMUJFWSA-N 477.363 1.685 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1359294592 YKUCGZAURGDOFU-SFHVURJKSA-N 495.627 1.054 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1359299495 GSQOUBJGSBUKQN-QGZVFWFLSA-N 451.593 1.760 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(O)(c2ccccc2)CC1 1359326905 MMAJIZBAWAWLAO-UHFFFAOYSA-N 461.588 1.505 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1359335041 YLLHEOYMDUOYIK-ICSRJNTNSA-N 451.637 1.769 30 10 JDEE COC(=O)c1ccc(Br)cc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1436362282 BKQLVSXQHGJOGV-UHFFFAOYSA-N 452.286 1.913 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)C1=O 1459838602 DGXVAMAERVATQJ-ZDUSSCGKSA-N 453.282 1.582 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc(-c3ccc(SC)cc3)ns2)CC1 1466748376 UQWTXALXRMRRQX-UHFFFAOYSA-N 452.587 1.544 30 10 JDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1C 1492273545 GAGJWUDURYCOCR-MJGOQNOKSA-N 487.586 1.158 30 10 JDEE Cn1ncc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)n1 1503690698 BBDNLMVNJYWHGF-IBGZPJMESA-N 454.560 1.591 30 10 JDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CCS(=O)(=O)CC1 1507623578 ZDYJITRRDLAIBB-CALCHBBNSA-N 451.593 1.943 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1507640576 TWKCTTKMFUIFOZ-SFHVURJKSA-N 480.612 1.227 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C(=O)N(C)C)CCCC1 1507644612 LJBVXRUQTFGRQV-UHFFFAOYSA-N 457.542 1.642 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CCN1CCN(C(C)=O)CC1 1507647059 LXHLPRJMQHEOFU-UHFFFAOYSA-N 469.387 1.945 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC(=O)N(CCOC)C1 1507655210 BVXRYPMRFLPUON-PMACEKPBSA-N 484.601 1.918 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1507731440 IRRIKQKFQGQPNU-QHAWAJNXSA-N 476.691 1.692 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1507733780 MFJXTHUISGQOTI-UHFFFAOYSA-N 498.584 1.456 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2cnn(C)c2)CC1 1507734237 JSDKDPCGOGFCIF-UHFFFAOYSA-N 463.542 1.710 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCNC(C)=O)CC1 1507734404 LSWQGUKONQRGIC-UHFFFAOYSA-N 476.379 1.528 30 10 JDEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@H]2C1)c1ccccc1 1507924295 LDGBPLQTNJGLOD-CEWLAPEOSA-N 474.631 1.769 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(=O)N1 1508003271 WOCMBXBOZDFMFZ-MOPGFXCFSA-N 474.587 1.082 30 10 JDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1508095770 TZEXZNKOQJKRJF-UHFFFAOYSA-N 458.588 1.434 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2cc(C)oc2C)C1 1508109196 KSCIVLSSAUBXPZ-LUQKVYGDSA-N 467.592 1.787 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1508137392 ZVAAOYSPIOZNLT-MRXNPFEDSA-N 458.993 1.823 30 10 JDEE Cc1nccnc1N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1511631474 HOHCGRTVTPEDEQ-UHFFFAOYSA-N 452.544 1.286 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1516846147 CHEAEYDNFZMAKP-QGZVFWFLSA-N 455.548 1.226 30 10 JDEE CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3c(C#N)c(C)nn3C)c2)CC1 1531533804 HPYNZIRDWVASHB-UHFFFAOYSA-N 450.952 1.832 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CC(=O)N1CCN(c2ccccc2)CC1 1539417589 NDNPTAISCVACIC-UHFFFAOYSA-N 473.581 1.699 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccnc(SCC)c2)CC1 1539431981 WXLXVKXZVWADAO-MRXNPFEDSA-N 463.633 1.199 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)c2cccc(OC)c2)CC1 1539476719 DHEVCRCPCZKNHO-UHFFFAOYSA-N 488.552 1.140 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1539517583 PQOSRRUTDMURBD-BBWFWOEESA-N 483.660 1.896 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CC)C1CC1 1539556870 JHGVLQNHBBREIY-GHTZIAJQSA-N 450.609 1.087 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(OC(F)F)c1 1540072423 LFWCTPYWTANUOR-KRWDZBQOSA-N 487.529 1.892 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1540873929 OUTQGKPMLOIRFH-UHFFFAOYSA-N 476.541 1.995 30 10 JDEE CN(CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1554275657 BXZKVMHRIFCWBI-AWEZNQCLSA-N 452.441 1.538 30 10 JDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(N2CCOCC2)nc1 1554385407 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C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1588923781 LVZARCDIJLVUJL-NSHGMRRFSA-N 455.607 1.315 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1595551459 QYALXVHIUNZWDQ-FUHWJXTLSA-N 478.644 1.427 30 10 JDEE CC[C@H](C)[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1613121068 GMWVAFNLWMQRAS-XDHUDOTRSA-N 483.621 1.438 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1 1632095749 ARFXXWCTMIELHB-UHFFFAOYSA-N 453.542 1.677 30 10 JDEE C#CCONC(=O)CCCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1640316887 JIHYBLNESMXYRX-UHFFFAOYSA-N 457.936 1.033 30 10 JDEE COC(=O)[C@H](NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1ccc(Br)cc1 1653761528 CIRXRPCULSFYFV-PKOBYXMFSA-N 451.365 1.945 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1689916605 PEMURDKJMWBQDD-KRWDZBQOSA-N 450.586 1.775 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1689978584 ZKQHOGZIBLVHJW-MRXNPFEDSA-N 464.617 1.636 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1689994316 WBNWQOHPYHEJAW-LJQANCHMSA-N 451.662 1.686 30 10 JDEE C#CCN(c1nnc(COCC)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1689996717 MWKRSJSGTLYFLW-KRWDZBQOSA-N 467.592 1.308 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=C)c2ccccc2)CC1 1690145939 BKGALCKWELUWPE-OAQYLSRUSA-N 467.595 1.859 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCNc2ccccn2)CC1 1690375639 PPBDFNCXPCHCNN-SFHVURJKSA-N 461.592 1.665 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1690432302 AKDFQDORGKJAPK-OALUTQOASA-N 451.637 1.941 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)CC(F)(F)F)C1 1690700190 ORBBMLSVTXTVTQ-CABCVRRESA-N 451.515 1.456 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1705563403 WTVWOHZSBVCLAO-HMXCVIKNSA-N 453.568 1.995 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1705567864 BDSMVQOENFFVDH-MGPUTAFESA-N 465.601 1.057 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705570853 UKUCMNBPHIXDID-NSHGMRRFSA-N 463.648 1.745 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1705571505 ZVWZCXKHXDTOCS-FQEVSTJZSA-N 482.610 1.903 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1705650178 MNPLTVGSIVVDCZ-LJQANCHMSA-N 464.561 1.552 30 10 JDEE C=C(Cl)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705746063 MWYHYXLQVCZKMJ-LBPRGKRZSA-N 483.729 1.746 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1705903223 RIXVQGBARLCVPC-FPOVZHCZSA-N 467.574 1.171 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ncc(CC)s2)C1 1705924927 HTYOYGOMBWNKPP-AEFFLSMTSA-N 496.659 1.654 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](CC)C1 1705934150 CJNCEFYWEUOIIX-QGZVFWFLSA-N 486.598 1.891 30 10 JDEE CC(C)(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(O)CCS(=O)(=O)CC1 1706115324 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C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CCNS(C)(=O)=O 1740664603 WSXOIJPKQWFQFU-UHFFFAOYSA-N 456.366 1.725 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OC(C)(C)O2 1740671214 BEDGUZXDCNCZDK-LJQANCHMSA-N 475.571 1.626 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@]2(O)CCO[C@@H]2C)n1 1740689151 PXGXSCDQRQJAHQ-WZONZLPQSA-N 453.547 1.306 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C)COC)CC1 1740696434 UMRYRZDPXOFJCW-OALUTQOASA-N 462.595 1.624 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c(F)cccc2OC(F)F)CC1 1740696487 VPXGXEMBWYFEQS-HNNXBMFYSA-N 483.516 1.724 30 10 JDEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1740719036 GNIFGZICBXJDKC-UHFFFAOYSA-N 451.593 1.846 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1 1740732468 DSYAPGISEAUPSL-JOCHJYFZSA-N 458.584 1.809 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1740951802 OBTSEIQQJQKSQM-UHFFFAOYSA-N 499.925 1.848 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(OC)c2)C1 1740979009 ATBUYVBWNAIWOQ-RTWAWAEBSA-N 491.614 1.644 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740985802 LZROTDQMJHMFGW-ZBFHGGJFSA-N 452.581 1.159 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)[C@@H](C)C1 1741055315 HTBOHPRWQTYJBA-PGRDOPGGSA-N 468.558 1.981 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(c2ccncc2)CC1 1741124352 FHUXVUBSUNTWIX-SJORKVTESA-N 460.608 1.796 30 10 JDEE CCNC(=O)c1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@H](C#N)C2)cc1 1746497317 AMZNNINTXHCTAW-LJQANCHMSA-N 453.547 1.723 30 10 JDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1747412777 GKHJNUMCGJBGQA-LJQANCHMSA-N 472.571 1.079 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-c1cnn(C)c1 1748789783 CNQLLSKNQZZKDH-FQEVSTJZSA-N 469.571 1.129 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Br)n1CCOCCOC)[C@@H]1CCS(=O)(=O)C1 1748810532 XPIKONNQWLNUNT-MRXNPFEDSA-N 497.415 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JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCN(c2cnccn2)CC1 1286822441 DNBJELVKSHINFA-UHFFFAOYSA-N 487.561 1.714 30 10 JDEE COc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)cn1 1300195383 ANTYBMSXJBBQFC-UHFFFAOYSA-N 467.555 1.740 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC(C)C)NC(=O)OCC 1300309044 RZRCUVPRGUOPRH-OKZBNKHCSA-N 484.623 1.230 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCOCC2)c1 1300332836 POLFCKJFUDMEQG-FQEVSTJZSA-N 465.558 1.008 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2nnc(C)s2)c1 1300333102 VRXGSPJCSXDFSL-MRXNPFEDSA-N 450.528 1.494 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1ccc(C(N)=O)nc1)[C@H]1CCS(=O)(=O)C1 1300504323 LWMQUBPDATULEL-IBGZPJMESA-N 494.577 1.334 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)N1CCSCC1 1300675602 DHCTVUMCNNMPCJ-RTBURBONSA-N 499.703 1.661 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[S@](=O)C(C)(C)C)CC1 1300685135 HSZUKIXJFOKNNQ-UGDMGKLASA-N 451.637 1.621 30 10 JDEE C=C(Br)Cn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1300862192 UGFDCHITKYTXTD-INIZCTEOSA-N 489.374 1.475 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1300882526 VLOVXBHBQNTMIY-WOJBJXKFSA-N 467.574 1.495 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(C)=O)CC1 1300885243 OEKWDRAEWVZRDV-HBFSDRIKSA-N 465.620 1.609 30 10 JDEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1300938984 KIYPAYZAESSASI-UHFFFAOYSA-N 470.574 1.519 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1301066059 NEPLOUARHNHYJC-HNNXBMFYSA-N 454.597 1.912 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1301136935 IIXPQDYTKVPMRX-IRXDYDNUSA-N 488.680 1.495 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(c2nccs2)CC1 1301223558 XXEUSTQUMFWIEI-KRWDZBQOSA-N 481.648 1.750 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1)C(C)C 1301366595 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1359009985 CUMWCKKWZRXFAJ-QGZVFWFLSA-N 484.623 1.328 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCNS(=O)(=O)c2ccccc2)CC1 1359043427 TYEXXJKUOPNFCL-UHFFFAOYSA-N 493.593 1.284 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC(C)CC2)CC1 1359048777 BBBHOLLIKRADEP-JLAWEPINSA-N 468.693 1.955 30 10 JDEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NCC)CC1)c1ccccc1 1359193819 JZIXVHOIYVYEFH-RTWAWAEBSA-N 465.602 1.847 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359294438 TZMWYWZDBLWYKM-UHFFFAOYSA-N 475.509 1.799 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2ccccc2)CC1 1359326520 BZCLHCOQTFVNNY-UHFFFAOYSA-N 486.642 1.827 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1359473750 HGWVZKBVRLNVPC-IEBWSBKVSA-N 487.634 1.472 30 10 JDEE CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1457858233 AJEYBZFWHKWPKK-IFMALSPDSA-N 456.568 1.490 30 10 JDEE CN(C)C(=O)CN1CCC(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 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C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1507640402 RPFLTMPTGHDTCU-OAQYLSRUSA-N 493.593 1.951 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1508079031 MOZIFMXTMYTTFB-QZTJIDSGSA-N 454.531 1.512 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1508084945 QVNSDXHWAUZIQF-OAHLLOKOSA-N 451.453 1.071 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1508094410 NGKYUBHYQMIYNJ-OAHLLOKOSA-N 453.952 1.436 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1508096138 BUCLQLBBFALDHE-VYDXJSESSA-N 460.501 1.377 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1508139690 INCNUGIIDYHHNZ-MRXNPFEDSA-N 490.611 1.937 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1508141789 ONFCRYHIVBIKIO-HXUWFJFHSA-N 480.679 1.378 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCS(=O)(=O)NC(C)C)c1 1539040176 NWPHSUDGUCIZHM-UHFFFAOYSA-N 481.582 1.724 30 10 JDEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1539053102 LBADACKWYSYKBX-GOSISDBHSA-N 481.536 1.696 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)CCCN2C)[C@H]1CCS(=O)(=O)C1 1539200554 KORPSZOLAIJVIX-FQEVSTJZSA-N 484.626 1.474 30 10 JDEE C#CCN(c1nnc(C(C)C)n1C[C@@H](C)CN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1539201625 AZQNQDHYUCQDBB-PMACEKPBSA-N 450.653 1.302 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)c1ccccn1)[C@H]1CCS(=O)(=O)C1 1539216175 OPLMWXRBLODHLN-SFHVURJKSA-N 453.572 1.678 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1539218760 CNJMLWHSDIDOJM-LJQANCHMSA-N 453.572 1.464 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539224251 DLKDLRWZKCUFQR-RZUBCFFCSA-N 486.642 1.390 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN(C(C)C)C1 1539325265 FATFNZLIFLDYSM-RTWAWAEBSA-N 476.647 1.194 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccccc1F 1539325306 GLMDRBQYEFATEQ-QGZVFWFLSA-N 457.531 1.212 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC2(CS(C)(=O)=O)CC2)CC1 1539476079 RXEKUMBRXQSFTF-UHFFFAOYSA-N 485.610 1.744 30 10 JDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1539510956 OWORVOMENQZXAD-DLBZAZTESA-N 488.614 1.740 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(SC)CCN(C)CC1 1539539795 YUXWRDDVXIHAIN-VQIMIIECSA-N 454.666 1.708 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)C(C)C 1539541041 XHJFQIXQSBOTPY-HSZRJFAPSA-N 472.615 1.960 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCCOC1 1540869346 JZAZOFNZZYOXKH-QGZVFWFLSA-N 465.558 1.840 30 10 JDEE CCn1cc([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCS(=O)(=O)NC(C)C)CCO2)cn1 1547608856 BAQSYBZDEYLXJV-OAQYLSRUSA-N 498.613 1.939 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1588075078 WXWPOGVXRDAFHX-MISYRCLQSA-N 474.631 1.914 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2c(s1)C[C@@H](C)CC2 1588574567 MCDVJDLQGQVMKT-LSDHHAIUSA-N 466.633 1.604 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C)n(C)c1=O 1588647472 VPMMTNQBGVVEKQ-UHFFFAOYSA-N 476.585 1.594 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1588749867 ANCJGVSIEHKENL-GBXCKJPGSA-N 496.603 1.430 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)NCCC)CC1 1588884655 IQRIWUUUIDHFRB-UHFFFAOYSA-N 479.585 1.639 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCc3nccn3C2)CC1 1588891868 UUIJQPDRKMFUCF-RBUKOAKNSA-N 469.590 1.427 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1588968827 QMOHJMZZIJIOMK-BVSLBCMMSA-N 486.617 1.226 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1nccs1 1589216046 IZSCYXSQWKDMSU-GQIGUUNPSA-N 464.617 1.863 30 10 JDEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](C)(C(N)=O)C1 1593735315 CKDHRFMJJXCNKA-OAQYLSRUSA-N 461.592 1.533 30 10 JDEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1593914349 HBKZRNISGJSKCQ-QGZVFWFLSA-N 455.906 1.954 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1594963655 WDQNATAGFMNCBR-GOSISDBHSA-N 496.634 1.800 30 10 JDEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1595330223 OTNVRJZKPWNXPC-UHFFFAOYSA-N 456.547 1.558 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCCCC2)CC1 1595758360 AIDIMGDCZAOSGS-UHFFFAOYSA-N 487.630 1.981 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(N2CCCNC2=O)CC1 1595811800 BFUOOWUCPCKWCY-UHFFFAOYSA-N 473.603 1.249 30 10 JDEE C#C[C@H](NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccc(Br)cc1 1596978927 RDJQQRSTDWLCRL-GJZGRUSLSA-N 452.330 1.405 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[S@](=O)C[C@H]2c2cnn(CC)c2)s1 1626611629 UNBPOAKTFBLFQQ-OLRZCDJHSA-N 456.615 1.304 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)c1 1648521879 KYJSGBVKSGESNI-NVXWUHKLSA-N 464.487 1.180 30 10 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COc1cccc([C@@H]2C(=C(O)c3cnc(C)nc3C)C(=O)C(=O)N2CCN2CCOCC2)c1 2296626416 AEPLDWMRARSHPZ-OAQYLSRUSA-N 452.511 1.856 30 10 JDEE Cn1c(=O)nc(O)c2c1nc(NN=CC(Br)=Cc1ccccc1)n2C[C@H](O)CO 2296927179 XDPZGGBQKUXZAE-ZDUSSCGKSA-N 463.292 1.023 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2331525542 AMRCQKPGCMHZKV-AZGDMVHKSA-N 452.357 1.268 30 10 JDEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccn2)cc1OC 102691404 GGJDVPMZSQEAGU-SADKCHQCSA-N 453.495 1.853 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(C)c(F)c3)c2)CC1 105278730 RPUDKTHGZUCWMV-UHFFFAOYSA-N 474.558 1.995 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(F)ccc2Cl)CC1 524423918 CDMUSNZTFIAWJC-UHFFFAOYSA-N 450.879 1.822 30 10 JDEE C#CCN(C(=O)c1cc(OC)c(OC)cc1I)[C@@H]1CCS(=O)(=O)C1 729335103 IBEQMXQBMBSJAY-LLVKDONJSA-N 463.293 1.571 30 10 JDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccccc1 729668442 JOKOWIHGBWSBLN-UHFFFAOYSA-N 457.559 1.881 30 10 JDEE Cc1ccc(F)c(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnn4ccccc34)c2=O)c1 729669545 QHVUKVRPQZJRLW-UHFFFAOYSA-N 459.506 1.776 30 10 JDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)c2ccc(S(=O)(=O)NC[C@H](C)O)cc2)CC1 915475164 HYAKCCIXKAUDGX-QOQLHOOGSA-N 465.572 1.822 30 10 JDEE Cn1c(=O)c2nc(Sc3n[nH]c(NN=Cc4cccc(Cl)c4Cl)n3)[nH]c2n(C)c1=O 1084459907 INAVUAICJYNQID-UHFFFAOYSA-N 466.314 1.982 30 10 JDEE COc1ccc(/C=N\[C@@H]2[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)cc1 1088482813 BPVDJXUNJWJXMH-ZJPYJJOXSA-N 465.455 1.197 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)n1 1128570980 VSNCEBZUTVMANZ-UHFFFAOYSA-N 454.346 1.971 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COCC)C1 1286325616 ZTXRAVRRQSDHEQ-RTBURBONSA-N 453.609 1.667 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1286391796 GIGLVCXUULHIRU-ZBFHGGJFSA-N 483.392 1.068 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(Br)n1 1286432099 XLHIAQQUEMWTSZ-OAHLLOKOSA-N 462.373 1.849 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)F 1286465730 RHJHQJPHGLFFHK-MRXNPFEDSA-N 484.548 1.860 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1286484201 JVVLTDVTMOSOMH-SFHVURJKSA-N 459.572 1.056 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC(OCC)C2)CC1 1286491860 DFRMDOHCOXDXSR-UHFFFAOYSA-N 492.580 1.625 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cnccc2OC)CC1 1286492094 GXZISJLBXOLSTF-UHFFFAOYSA-N 493.593 1.687 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCn2ccnc2C)CC1 1286492831 AONIRIBGKQPVGB-UHFFFAOYSA-N 452.588 1.805 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1286500186 PEJKGVFWTXPNPJ-KRWDZBQOSA-N 459.597 1.526 30 10 JDEE C=C(Cl)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1286629814 IOHOCMOAZQMWNA-UHFFFAOYSA-N 493.395 1.782 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC2(CCCC2)C1 1286820533 MWVKUMFYDIGCNF-KRWDZBQOSA-N 456.634 1.942 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(N(C)C)CCOCC1 1286960125 CLHFMAHIQSPKEH-SFHVURJKSA-N 489.646 1.902 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)N1CCOCC1 1288506073 FMRTYSBXEBBYOK-INIZCTEOSA-N 473.965 1.849 30 10 JDEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1)S(C)(=O)=O 1295805845 IBOYIBLGZIDIEO-LJQANCHMSA-N 474.587 1.878 30 10 JDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC(CN2CCN(C)CC2)C1 1298437130 AEFDQFMKQWFYTB-UHFFFAOYSA-N 451.365 1.804 30 10 JDEE COc1cc(OC)cc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCCN2S(C)(=O)=O)c1 1299930082 HRNICBMUWAGKJF-DOTOQJQBSA-N 462.576 1.982 30 10 JDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1300457881 BXHMFQKPARYWSL-UHFFFAOYSA-N 494.625 1.820 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN/C(O)=C1\N=CC=CC1=O 1300578081 HCRFCYXAPNOVOZ-WZFMIUBLSA-N 472.505 1.780 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1300722377 JIWOERGYYODXMJ-SVFBPWRDSA-N 456.591 1.646 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300891168 JSJLDOTZXYFWNX-ZJSXRUAMSA-N 467.618 1.892 30 10 JDEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301016835 CAVXHEYBNCBNOK-IRXDYDNUSA-N 458.950 1.934 30 10 JDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1301032985 CNHCFASAYXDCPM-UHFFFAOYSA-N 452.950 1.926 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1301498454 OHAVKVXCALJCMP-GOSISDBHSA-N 452.515 1.554 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1301569594 ZXAOREVRVJNLJR-MSOLQXFVSA-N 489.664 1.023 30 10 JDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C[C@]2(CCO[C@@H]2C)O1 1305204538 ATMQSPMWMAAASR-LNPFQXMTSA-N 490.511 1.883 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCS(=O)(=O)CC)c1 1358903175 NFAVCXBJIGMNCL-UHFFFAOYSA-N 466.567 1.755 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1358957220 RGONRNZNDWEKOX-WMZHIEFXSA-N 474.583 1.614 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1358958913 YHYGZRQAYHVMOH-QGZVFWFLSA-N 475.571 1.115 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358959712 OEXGFNFFQDQASD-VQTJNVASSA-N 457.600 1.601 30 10 JDEE C#CCN(c1nnc(C2CC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O)[C@@H]1CCS(=O)(=O)C1 1358961633 CCCKHXLSLHTNPA-IEBWSBKVSA-N 459.547 1.266 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN1CCN(C)C(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1358962655 UIMBNNYVZLQCEL-UXHICEINSA-N 478.663 1.172 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(OCC)c1 1358979667 UAESWXUYUOSDPQ-OAQYLSRUSA-N 471.583 1.325 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Cl)ccc1OC 1359010263 KYGVGBWIGHFPLO-SFHVURJKSA-N 467.979 1.781 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCS(=O)(=O)CC1 1359016390 AQXBEVPUSXGBKI-IBGZPJMESA-N 459.547 1.833 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cccc(C)n2)CC1 1359040242 MZLRDGRYMYZPEG-UHFFFAOYSA-N 472.553 1.837 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSC(C)C)CC1 1359045957 YXOPGPPBPGGGRM-QGZVFWFLSA-N 453.634 1.288 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C)N2CCOCC2)CC1 1359047309 AOHNTADVSTZRCS-FQEVSTJZSA-N 496.612 1.552 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N(C)C)CC1 1359099594 QLGYAVVGIISFMF-SBHAEUEKSA-N 479.647 1.856 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H](O)C1 1359277689 SOSPLZSJLPKKIL-SBHAEUEKSA-N 493.630 1.990 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1359334868 SXIRPQGDKCWZMG-DLBZAZTESA-N 495.627 1.255 30 10 JDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] 1462893038 BDMJNSMLVCXTIO-SECBINFHSA-N 457.299 1.860 30 10 JDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 1463878064 AKGLPEUJPSBARL-KRWDZBQOSA-N 455.540 1.008 30 10 JDEE CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N2CC(Oc3ccc(C#N)cc3)C2)s1 1475179002 AEMABRLBCUITDB-UHFFFAOYSA-N 455.583 1.553 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1507627356 SHIVDXKCLQDVTP-FUHWJXTLSA-N 482.509 1.589 30 10 JDEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1507682273 MNYDUOZOFCDJLD-UHFFFAOYSA-N 451.918 1.716 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1507716760 UJRGKBNEQYTTHL-QHCPKHFHSA-N 492.672 1.928 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@H]2CCc3ccccc32)CC1 1507735858 IMELMNMWZYBOMV-UYAOXDASSA-N 498.653 1.974 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(C)CCCS2)CC1 1507737043 XJYPZGNQKBKSBC-FOIQADDNSA-N 468.649 1.140 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](COC)OC)CC1 1507742967 TZZJMCOPRBCASH-QGZVFWFLSA-N 461.513 1.774 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC1CC1)C1CCC1 1507750869 GUUWYPDWYHKXCD-GOSISDBHSA-N 453.634 1.746 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cnccn1 1507796990 KCYLBBIAFUKBJG-HOJAQTOUSA-N 491.618 1.061 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1507831799 FMJGONXJLMLZCU-ROUUACIJSA-N 476.607 1.082 30 10 JDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cccnn2)CC1 1507848629 ZPUQXRWQEUUWON-UHFFFAOYSA-N 468.587 1.979 30 10 JDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507925609 IPVGAUMWKRCXLG-HOCLYGCPSA-N 467.596 1.011 30 10 JDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1507961937 JHYGROQHNDZBKS-OYRHEFFESA-N 484.649 1.898 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1508059505 WBCJLHXMIJDQDK-SFHVURJKSA-N 498.588 1.593 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1508076798 HVWOHHHJTYIGBT-OAHLLOKOSA-N 475.347 1.959 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(NC(=O)COC)CC1 1508079669 CENCUJDAPPJAJF-UHFFFAOYSA-N 478.557 1.164 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1508088496 GPFUUDVYZYKTMN-LPHOPBHVSA-N 457.531 1.893 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1cccc(Cl)c1 1508094579 ZDTWFUVGTPORIU-OAHLLOKOSA-N 467.979 1.651 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1508136913 JBPZKKPFYVINCW-KRWDZBQOSA-N 482.632 1.049 30 10 JDEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1508160269 FDQYTGGZCXGEFE-UHFFFAOYSA-N 450.653 1.767 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](COC(C)C)C2)CC1 1508274926 HWLINBGEZJWAGS-HSZRJFAPSA-N 481.601 1.611 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1 1539203230 OJRSHAXGOLMASP-CSXBVJTASA-N 491.658 1.764 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539219383 JLNAZYIYOGBPEK-GOSISDBHSA-N 464.613 1.577 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539220812 LYFVVZURRZGXTC-FGZHOGPDSA-N 498.653 1.744 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539292057 ZGMJCALFNULTOQ-HXUWFJFHSA-N 482.610 1.892 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1539446509 DSMVNQNKQQHKBS-YLJYHZDGSA-N 492.596 1.517 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1539847219 BMWQTDCEPULITL-VQTJNVASSA-N 482.651 1.124 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccsc2)CC1 1540862569 FGYWCAHLDXCTKY-CQSZACIVSA-N 452.606 1.636 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 1540871062 CHEZIFMKEGJYNY-AEFFLSMTSA-N 461.588 1.646 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1540875138 CDZLYHBOJLLITP-QHCPKHFHSA-N 485.520 1.113 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)OC)CC1 1540905122 SYILPAZHLDRONU-UHFFFAOYSA-N 473.559 1.006 30 10 JDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1540922889 ALMZYQSCRFNFPF-OALUTQOASA-N 480.635 1.496 30 10 JDEE CCCC(O)(CCC)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1546924311 BGKLYMMJRMWVOT-MSOLQXFVSA-N 481.605 1.937 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(OC)CCOC2)c1 1587693342 RNOPOZVQVXGQRX-FDDCHVKYSA-N 452.515 1.091 30 10 JDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1587758874 IVUAOALALJOPPL-QGZVFWFLSA-N 454.535 1.090 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1588053417 FDCHTPKSZIDSAI-KURKYZTESA-N 487.582 1.332 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1588064553 KLBLQGDUANGWTN-FXAWDEMLSA-N 451.618 1.668 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccnc1)C(C)C 1588139178 MZISMWHUGVFCOS-LEWJYISDSA-N 470.599 1.519 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1588560847 WKHUKUJVMIDAQN-HXUWFJFHSA-N 470.574 1.575 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2CCN(CCN(C)C)CC2)CC1 1588955545 ZXCCTCHOXUJRLC-UHFFFAOYSA-N 492.672 1.503 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1589484483 TYYQTHXSZVVBQU-OTWHNJEPSA-N 480.635 1.402 30 10 JDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCOCC1 1594961919 GNPBASKCVRRERJ-ZWKOTPCHSA-N 450.584 1.929 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1595722002 IIUXDFFTXMDAEU-HXUWFJFHSA-N 452.559 1.980 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1595811913 GTNABAXGBAAZPC-SFHVURJKSA-N 451.618 1.836 30 10 JDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(NC(C)=O)nc2)CC1 1619553722 ACPDZHOIGUMZLD-UHFFFAOYSA-N 488.552 1.950 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCCO2)c1 1627409253 RLBHUJQUPQZVJD-QGZVFWFLSA-N 453.561 1.907 30 10 JDEE C=CCOC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)OC 1635159149 UEBKBBPEMBUJIF-CYBMUJFWSA-N 458.842 1.498 30 10 JDEE C=CC[C@H](CO)CNS(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1661182030 UNRQFAPAWQGUMW-NSHDSACASA-N 453.298 1.849 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C/C=C/CC)[C@@H]1CCS(=O)(=O)C1 1689988440 PBJHXQUCEIMULL-RCMYXZNBSA-N 466.567 1.785 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N2CCN(c3ccccc3)CC2)CC1 1690109073 FZRCBDCMOOXXJG-QFIPXVFZSA-N 478.645 1.382 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCN2CC)CC1 1690152207 CAAFLADVPCMROI-IBGZPJMESA-N 483.642 1.720 30 10 JDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(F)(F)F)C1 1690219515 GQFXJYWCPSKKTL-ZJUUUORDSA-N 462.292 1.564 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1690236265 KNVCYWJQAVAZLD-YRPNKDGESA-N 482.651 1.171 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1690665795 PVJCGRQHBWISMP-QHCPKHFHSA-N 456.547 1.617 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cc(OCC)c(OCC)cc2C1 1690670055 XMTMCULYMWNFAZ-SFHVURJKSA-N 468.558 1.892 30 10 JDEE C=CCSCCn1c(CC)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1690747274 XFIRUPOGAHGRSM-BZUAXINKSA-N 471.649 1.886 30 10 JDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1)N(C)C 1692694582 FNVPAEXVHSVUDL-WOJBJXKFSA-N 464.618 1.900 30 10 JDEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1OC 1697332868 FCZGXEODFAQUEJ-JKSUJKDBSA-N 462.576 1.982 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1C 1698060625 DNVVQEFKNFJGHX-FQEVSTJZSA-N 476.603 1.643 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cnn(CCOC)c1)[C@@H]1CCS(=O)(=O)C1 1705560162 DWXFVFHVSHOAOF-OAQYLSRUSA-N 479.566 1.335 30 10 JDEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(NC(=O)OC(C)(C)C)COC1)[C@@H]1CCS(=O)(=O)C1 1705561652 VLULDYCBFCWBGD-DLBZAZTESA-N 481.619 1.712 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CC[C@@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705564763 PWNWEWRBRUXDBV-GOEBONIOSA-N 457.478 1.934 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1705747092 FBCPFGSUUXWUGP-HNNXBMFYSA-N 471.031 1.313 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2cccnn2)CC1 1705894985 QCYIFHPHJVXZFZ-UHFFFAOYSA-N 475.557 1.566 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1705903279 PCUIIOSFKHPQJV-QGZVFWFLSA-N 475.557 1.948 30 10 JDEE CC1(C)CCC[C@@]1(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1706943855 BXRSXAOPRFTWDJ-PGRDOPGGSA-N 480.635 1.682 30 10 JDEE C#CCCCn1c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722341337 WJFOQXXFGMIFGS-VGOFRKELSA-N 456.551 1.264 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2ncccc2c1 1722382680 BUMAIYMCIPDAGT-NRFANRHFSA-N 464.551 1.280 30 10 JDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H](C)N1CCc2ccccc2C1 1722426407 BMMUDDFFRXFKEL-FQEVSTJZSA-N 450.587 1.933 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCNC(=O)c2cccc(C)c2)CC1 1722432521 ALKVVZFRLHNRIA-RUZDIDTESA-N 466.586 1.424 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(COC)CCOCC2)CC1 1722434662 WUAAXDTZUZDCIE-UHFFFAOYSA-N 487.626 1.547 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1722446651 GYFPKAPPHZXBSB-SIKLNZKXSA-N 466.586 1.584 30 10 JDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)NCCOC)CC1 1722494361 PFCVCAAFOUBGNK-IRXDYDNUSA-N 486.411 1.890 30 10 JDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1722619854 GKANVWKQYGELGU-QGZVFWFLSA-N 453.551 1.386 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1722693657 WDIBDIYODCAOQX-FQEVSTJZSA-N 451.531 1.666 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1723611870 FNKREAVCANUKFR-MWTRTKDXSA-N 471.537 1.294 30 10 JDEE C[C@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1)c1ccco1 1723967191 CEVKPKKRARGKBN-QFIPXVFZSA-N 470.555 1.835 30 10 JDEE CNc1cc(N2CCC[C@H]2Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@H](C)C#N)ncn1 1729736740 APRDXWRYVNAXRP-SJORKVTESA-N 452.567 1.611 30 10 JDEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)C2CC2)cc(OC)c1OC 1729969865 IAOUGPJSUBKNJE-JOCHJYFZSA-N 458.494 1.939 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCS(C)(=O)=O 1740550596 QWUBKOUJGNJCCU-JKSUJKDBSA-N 455.581 1.479 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H](C)N2CCN(CC)CC2)c1 1740563886 ZVCZKLMDVVJPPC-FQEVSTJZSA-N 489.628 1.761 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC[C@@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740618217 FDBMPGVDAWXQMM-FCEWJHQRSA-N 494.536 1.524 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccco2)N2CCCCC2)CC1 1740690112 GWGXOUDFJXTZSH-WOJBJXKFSA-N 489.646 1.464 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccc(OC)cc2)CC1 1740705051 BFTZDZCYWYHQII-HXUWFJFHSA-N 466.542 1.283 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1740952214 XODJIFXHKIGGMJ-MJGOQNOKSA-N 465.558 1.412 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](OC)C(C)(C)C1 1740962497 FSRXJBTXSUOKDJ-JOCHJYFZSA-N 481.645 1.806 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2ccc(C)cc2)C1 1740983688 NMRWNFIUFHGXSN-FQEVSTJZSA-N 452.559 1.920 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1740988225 XRRVYJSIYMWVJB-MRXNPFEDSA-N 495.627 1.006 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740991586 ZZDWEENJSHIRDX-UHFFFAOYSA-N 452.625 1.183 30 10 JDEE CCCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CCNS(C)(=O)=O)c2ccccc2c1=O 1745750535 HXWIHONWTCHIJQ-OAHLLOKOSA-N 472.575 1.353 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCN2CCOC[C@@H]2C)c1 1748689888 JMWXNNCOJBGVTL-SFHVURJKSA-N 467.574 1.193 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC)nc2)c1 1748692603 JMIGOGXAGQWDKO-IBGZPJMESA-N 459.510 1.737 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1748805843 WZIHLIBJQVNNFS-PRCJDROHSA-N 482.603 1.953 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCc2ccccc21 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466.535 1.574 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1300504892 VKQWNMSALLIKII-IBGZPJMESA-N 483.598 1.770 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCc2ccccc2)CC1 1300699337 BLIJEMJEUQFTBU-QFIPXVFZSA-N 486.642 1.389 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCS(C)(=O)=O)CC1 1300725924 GMWCNRPEWBJVHK-UHFFFAOYSA-N 478.018 1.923 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)C(C)C 1301367081 KLVGZCNMKZPVJM-HXUWFJFHSA-N 495.632 1.898 30 10 JDEE C=CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1301450575 ZULRXAVAWHBQEY-NXHRZFHOSA-N 474.587 1.961 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1301506390 KNHMYYXARMKUTR-UHFFFAOYSA-N 463.542 1.738 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2ncccc2F)CC1 1301507807 AAZRAERPLNSKCW-UHFFFAOYSA-N 456.551 1.797 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC2CCCC2)CC1 1301589167 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C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1359330864 FRIVMJPBVDFXCW-KRWDZBQOSA-N 459.576 1.290 30 10 JDEE C=CCc1ccc(OCC(=O)N(C)C2CCN(CC(=O)N3CCN(C)CC3)CC2)c(OC)c1 1443390710 KCRYEYHQXLZZJK-UHFFFAOYSA-N 458.603 1.499 30 10 JDEE C=C[C@@H](C)NC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 1457885035 NAFVXRPKXDXSIN-OAHLLOKOSA-N 452.533 1.523 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507625916 LQDFDTZZUOZUEN-DWXLDPMZSA-N 480.631 1.761 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1507627636 KUFZOBUTXABEPU-YWZLYKJASA-N 462.963 1.099 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCc1nccs1)[C@H]1CCS(=O)(=O)C1 1507633381 DGCAEKCURUPOMS-SFHVURJKSA-N 456.597 1.980 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCOCC1 1507664687 CYXSRTZUHOIATG-UHFFFAOYSA-N 469.615 1.423 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(OC)c(OC(F)F)c2)CC1 1507723363 FVUJKHOXMBEEBZ-QGZVFWFLSA-N 474.512 1.837 30 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C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1539434842 VPDAAPWCVLKTKB-OSPHWJPCSA-N 471.558 1.266 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC(=O)N(C)C)CC1 1539467216 OYRZUYJTGVFGIA-UHFFFAOYSA-N 479.585 1.591 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2Cc2cnnn2C)CC1 1539488850 DFMOTGLGXZQZBK-UHFFFAOYSA-N 478.557 1.398 30 10 JDEE C#CCSCCn1c(N2CCC[C@H](CN3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1539530579 JGKLDNOKWMAEHZ-OFNKIYASSA-N 463.648 1.845 30 10 JDEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NCCOC)CC1 1539596607 MYGSEAUAYNETGC-MRXNPFEDSA-N 471.400 1.313 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(OC)c(OC)cc2C(=O)NC)s1 1540833974 GIPFZWIRNBVFEH-UHFFFAOYSA-N 453.542 1.770 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1540861854 JDWNIZYPVHRDNH-RBUKOAKNSA-N 488.976 1.548 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC2(CC1)OCCO2 1540909393 GQQVFHLNOMLDBY-HNNXBMFYSA-N 459.638 1.929 30 10 JDEE C#CCn1cc(CNS(=O)(=O)c2ccc(I)c(C(=O)OC)c2)cn1 1561733394 JLYOMGSRIHZHIZ-UHFFFAOYSA-N 459.265 1.386 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(Cl)c1 1587990413 WSCUKGNHMFCCMO-QGZVFWFLSA-N 453.952 1.391 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1588030285 SBFXDUHREIMPPY-VQTJNVASSA-N 499.641 1.673 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588069464 OLMXMAVEYXFRDM-ZWKOTPCHSA-N 490.655 1.381 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCCS1(=O)=O 1588481451 JDJSGEHNLMPBRP-GOSISDBHSA-N 460.535 1.044 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccn(C)n2)CC1 1588876600 CZKXMOYBERDMMA-PUZFROQSSA-N 468.606 1.780 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1588914069 VDRXWTLOERGDIQ-NRFANRHFSA-N 478.645 1.580 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1588967995 DMKDNJKBBPOVMG-IBGZPJMESA-N 494.687 1.711 30 10 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C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690352671 KWYKQSKSRWZJAA-UHFFFAOYSA-N 458.950 1.845 30 10 JDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1690643556 HOYMYZXSDKJCHD-UHFFFAOYSA-N 467.622 1.629 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1690673129 OZFREAWBBXGNAJ-IBGZPJMESA-N 483.592 1.443 30 10 JDEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C1 1696926331 AGLTYFYBHAXUJC-GOTSBHOMSA-N 454.531 1.497 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1705562044 XKORIVSXTGREOZ-HFMPRLQTSA-N 493.674 1.677 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1N1CCCCC1 1705583317 VEIQGFINPYPRSQ-HSZRJFAPSA-N 496.637 1.722 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(S(C)(=O)=O)CCC1 1705624692 LRAITZSFNCYWCF-UHFFFAOYSA-N 460.556 1.770 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1705627256 ASIGMPOKQFYJGB-LJQANCHMSA-N 453.547 1.893 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2(C)COCCO2)CC1 1705634766 IMEMDJVAXDMBIE-HXUWFJFHSA-N 463.380 1.607 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc3c2OCO3)CC1 1705645005 IIYOXAOUWJTLFL-KRWDZBQOSA-N 469.542 1.745 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2CCN(C(=O)OC)CC2)CC1 1705648892 CCUGGGORGNWDIT-UHFFFAOYSA-N 468.562 1.123 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(Cc1ccnn1C)C1CC1 1705697792 NVLYTAFIUJKYSX-BXWFABGCSA-N 463.608 1.772 30 10 JDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705871711 UWIAWUJPRGGROT-QGZVFWFLSA-N 469.575 1.381 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1705896304 ILOPIECRPDNERD-UHFFFAOYSA-N 499.597 1.900 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1705902299 BCGVANFZJFQWLN-GOSISDBHSA-N 472.977 1.977 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1705909310 STZYYIXJCTWXSF-IEBWSBKVSA-N 482.651 1.407 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1705927793 GOAAXDGGLBULIL-QGZVFWFLSA-N 483.635 1.572 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1705939799 MKSSGIMPCRALSG-MRXNPFEDSA-N 496.659 1.980 30 10 JDEE C=CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705941087 YNFDFPFSWZAUSA-RDJZCZTQSA-N 474.562 1.623 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(F)c1 1706074650 BVVXETINNYUXDN-MDZRGWNJSA-N 480.566 1.813 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCN(CC)C2)c1 1722307692 UOWSAYHLFWYCPN-FQEVSTJZSA-N 463.586 1.799 30 10 JDEE C#CCN(c1nnc(C(C)C)n1Cc1ccccc1S(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1722359599 UXZBNQSGXZZMCY-SFHVURJKSA-N 479.628 1.327 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1722371366 VSFAXJZFUPDMRF-UKRRQHHQSA-N 452.487 1.532 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722372228 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C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)Cc1ccccc1 1740638846 OXSAWVCNYAPROC-UHFFFAOYSA-N 465.535 1.694 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCN(C(C)C)CC1 1740652972 VCOHRPBDJYDBJD-UHFFFAOYSA-N 497.669 1.936 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1740693717 JTJDKWILWSACSV-UHFFFAOYSA-N 452.584 1.632 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCn2cc(Br)cn2)CC1 1740695559 WRDYWIULMNHJQA-UHFFFAOYSA-N 456.352 1.540 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2CC(F)(F)C2)CC1 1740703331 OEOPGADPUVJODU-NRFANRHFSA-N 451.518 1.941 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(S(C)(=O)=O)CC1 1740751959 QHOQHDMSTBXLSS-SQNIBIBYSA-N 457.597 1.065 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cnccc2OC)CC1 1740839867 PQXYEQJWFVXIGX-IBGZPJMESA-N 462.576 1.465 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1cc(Br)cn1 1741131514 GHBRZALVKHFYIM-KGLIPLIRSA-N 470.397 1.825 30 10 JDEE C[C@@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)C[C@@H](C)C#N)N1CCOCC1 1741134721 HNXGRPVUOGHFLD-GOTSBHOMSA-N 480.661 1.959 30 10 JDEE CCN1CCN([C@H]2CCN(c3nnc(COc4ccc(C#N)cc4)n3CC(C)(C)O)C2)CC1 1746457062 AZXTYBOSHQHJMR-FQEVSTJZSA-N 453.591 1.716 30 10 JDEE COc1cc(OC)c(CCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1 1748563886 BATRXXZBNPUBQC-INIZCTEOSA-N 458.519 1.414 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748802679 QYISKWNPJGEZAN-AQNXPRMDSA-N 478.663 1.411 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1748811680 JZYYWLPGJDIEJK-YLJYHZDGSA-N 460.585 1.275 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C(CC)CC)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748817639 NLHADCNWEZFMGW-AQNXPRMDSA-N 499.703 1.173 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1748822106 XRELRFPWIUQHDV-GOSISDBHSA-N 459.572 1.051 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1748823715 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C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1749670347 QFUJYKVPYQKKSL-ULQDDVLXSA-N 473.578 1.367 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1749677578 DRHJTPDVOGTHAJ-KRWDZBQOSA-N 468.587 1.918 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1749677594 FALDIACFVWFXDY-UHFFFAOYSA-N 482.614 1.774 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](CC(N)=O)C1 1749726789 DUVYKHLBRIWETO-HNNXBMFYSA-N 461.544 1.366 30 10 JDEE CC(=O)N1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)C1 1749816360 CRRFLPUCSFUBFS-HXUWFJFHSA-N 465.558 1.370 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1760098035 NKEKXJSPNOCTKH-IRFCIJBXSA-N 474.631 1.728 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1760225767 YCFVZEKOUPFQCA-VGOFRKELSA-N 462.572 1.826 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1c(C)noc1C 1760233024 HTBZTWJDQDRYBT-WMLDXEAASA-N 450.565 1.479 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(F)cn2)CC1 1760265027 LOQHCRQLZVYVOJ-UHFFFAOYSA-N 455.538 1.745 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 1760265893 LMIMMVWOAPXLMP-NEPXVJNWSA-N 462.620 1.290 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(F)c(F)c2)CC1 1760266220 SJOPDTNGBGRJAJ-CQSZACIVSA-N 480.541 1.181 30 10 JDEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCCN(S(C)(=O)=O)CC1 1760425770 VLXRZSSFLDBKFI-UHFFFAOYSA-N 450.565 1.834 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cccc(O)c1 1760555028 URRVVMGGQIZRHA-WBVHZDCISA-N 468.601 1.684 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)OC[C@H]2C1 1760558040 DOUURESUKOYHII-GOSISDBHSA-N 475.571 1.661 30 10 JDEE CC(C)OC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CCO1 1761305872 CKZJEHXIUVDWTM-OAQYLSRUSA-N 471.558 1.900 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC1([S@](C)=O)CC1 1761472618 DQBMTDUSGWXWJQ-IWAYBZMOSA-N 476.628 1.840 30 10 JDEE CCN1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1765445197 GLNLMVLWUHZURK-UNMCSNQZSA-N 467.574 1.554 30 10 JDEE CCOC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1765747116 DGKFDJUOSRMINW-INIZCTEOSA-N 476.607 1.297 30 10 JDEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccco2)CC1 1770690036 CLSVFXXPAASWFI-RUZDIDTESA-N 494.552 1.961 30 10 JDEE CC#CCn1c(=O)c2c(nc(N3CCC[C@@H](N)C3)n2Cc2nc(C)c3ccccc3n2)n(C)c1=O 1848439919 XIKVKBIUDFTLJT-QGZVFWFLSA-N 472.553 1.147 30 10 JDEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2C(=O)O)c1 1862559428 NUODSWNRKFOHMD-FQEVSTJZSA-N 451.479 1.878 30 10 JDEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(CC=C)CC=C)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865730020 WHDLILOAWLLTQS-GOSISDBHSA-N 464.522 1.544 30 10 JDEE CSCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](c1ccc(O)cc1)N(C)C 1869933844 PQLWQYJSFKCBLX-OALUTQOASA-N 476.624 1.972 30 10 JDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)CC1 1889596641 AABKLTHJWHMJPV-UHFFFAOYSA-N 465.598 1.434 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2255836083 SRSFYGIKLQQLDR-UONOGXRCSA-N 453.370 1.542 30 10 JDEE CC(C)(C)OC(=O)NC[C@@]1(O)CCCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2266998773 IPRHRZSRANDIKT-NRFANRHFSA-N 467.397 1.934 30 10 JDEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267269970 ITAWSWBXQOHIOV-HUUCEWRRSA-N 464.397 1.857 30 10 JDEE C[C@@H](O)CN(CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267375844 NBMGGFJAEABMMO-CQSZACIVSA-N 490.453 1.944 30 10 JDEE C[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(C)(C)NC(=O)OC(C)(C)C 2267709014 UXDNIMQOLQFHFB-LBPRGKRZSA-N 473.405 1.084 30 10 JDEE Cc1nc(S(=O)(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2267724256 HDIYWHXMYWACIQ-CYBMUJFWSA-N 472.417 1.561 30 10 JDEE Cc1c(C(=O)NCc2c[nH][nH]c2=NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281794556 IIHWHGXGKMCCMB-UHFFFAOYSA-N 460.344 1.450 30 10 JDEE C[C@H]1CCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2282498976 LTGHQMYOPUIJBH-HOCLYGCPSA-N 484.428 1.643 30 10 JDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(C(N)=O)(N(C)C(=O)OC(C)(C)C)C1 2282589093 KPTRWZAHFRBILU-UHFFFAOYSA-N 480.396 1.298 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282593941 XMHQMTQVTSQRHQ-QFIPXVFZSA-N 464.372 1.304 30 10 JDEE Cn1nc(C(=O)N2CCO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1B1OC(C)(C)C(C)(C)O1 2282626151 AFSZAJFBVXGOAI-HZPDHXFCSA-N 462.356 1.180 30 10 JDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282841781 YBVFHOLWAWIFAN-ZIAGYGMSSA-N 485.416 1.038 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1C[C@@]2(C[C@@H]2C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2312973467 ZJEDPVDDVRRBOL-FKANQGBASA-N 450.370 1.891 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)Nc1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2359390722 PRKVTWOUZUVPLX-IXDOHACOSA-N 482.770 1.919 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1(C)C 2380427543 FHEFBKUHISJTQJ-ZDUSSCGKSA-N 485.416 1.181 30 10 JDEE CNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](S)CCN1C(=O)N(C)C(C)(C)C1=O)C(C)(C)C 139627863 GTXSRFUZSLTDFX-OAGGEKHMSA-N 499.678 1.155 30 10 JDEE CCOC(=O)[C@@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)[C@@H](C#N)[C@H]3c2ccc(O)c(OC)c2)C1 203568724 DGDDYVJDTIREMD-JKIFEVAISA-N 467.482 1.487 30 10 JDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 561575907 FFPUASZULSUPFU-UHFFFAOYSA-N 460.512 1.790 30 10 JDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc2c(c1)OCCO2 729669771 UHTZAGOHQSHBCV-UHFFFAOYSA-N 485.525 1.100 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)s1 1170080290 JWNSHMRTSKSFBO-KRWDZBQOSA-N 450.586 1.167 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1286383638 MUKYRBKJSDXPTJ-SIKLNZKXSA-N 465.620 1.043 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccc2c[nH]nc2c1)[C@H]1CCS(=O)(=O)C1 1286383812 ZOBMAYLAMUBUTO-SFHVURJKSA-N 469.571 1.162 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](C)N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1286390936 FTBBRBKCRLZTON-PZJWPPBQSA-N 490.699 1.583 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1286391361 CUXYIZMSHDKDEZ-AUSIDOKSSA-N 455.584 1.282 30 10 JDEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1286398280 WYNDGOXWDIEPLN-RBUKOAKNSA-N 476.624 1.921 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCN(C(C)=O)CC1 1286432954 DVNKOVGOFWQQDQ-FGZHOGPDSA-N 454.619 1.824 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1286599604 BNOUCHGPQPEAOB-MIALQEHNSA-N 457.597 1.254 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1286607657 JHKMKHUVDRIHHP-MOPGFXCFSA-N 479.607 1.279 30 10 JDEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286630173 QYDFIPNRQBJVDD-CABCVRRESA-N 475.999 1.962 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1286699240 ASQANFBDKAFSAL-IAGOWNOFSA-N 461.592 1.544 30 10 JDEE C=CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1286703377 KZPDSKHHYVTNAJ-UHFFFAOYSA-N 496.612 1.546 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC(F)F)CC1 1286786897 LKIRBJGBXLQFET-UHFFFAOYSA-N 456.501 1.820 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300481769 BUMJLDINYTUBAQ-DXIQSLLYSA-N 465.620 1.041 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCS(=O)(=O)c2ccccc2)CC1 1300680996 IVIDFTBGWYKFHL-UHFFFAOYSA-N 458.588 1.036 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(-c3ccsc3)nc2)CC1 1300683990 VOJDRERSLBKPHP-KRWDZBQOSA-N 485.639 1.815 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 1300698345 RHQKEMHPLXRHOL-KRWDZBQOSA-N 477.491 1.563 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)N(C)C2CC2)CC1 1300715765 CTUICJZARXGBME-KBMIEXCESA-N 472.634 1.767 30 10 JDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300843154 CKERPGZZFHMXEL-HNNXBMFYSA-N 462.414 1.846 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1300897118 OCLCUVLKLIZNCX-ZWCUEREDSA-N 468.620 1.925 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(F)c2F)CC1 1301458022 KQKKAXRBHIAAIG-KRWDZBQOSA-N 468.530 1.402 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1301459059 PBDCHQKDVZXWKR-LJQANCHMSA-N 474.587 1.326 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCC1CCOCC1 1301588542 GVUPLRZGHXFTHQ-KRWDZBQOSA-N 460.622 1.034 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1301589803 XMCIQPYRJDJHCQ-HXUWFJFHSA-N 489.598 1.842 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1 1301643672 GHPNVVDUNZQSAK-UHFFFAOYSA-N 495.584 1.425 30 10 JDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1314522190 FNEFRVOAROWVDZ-MRXNPFEDSA-N 451.574 1.122 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCC2)c1 1358901943 AWNYIJNVWYDCNT-IBGZPJMESA-N 484.626 1.721 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1358904804 MFGKNIOVJNWYMQ-SFHVURJKSA-N 464.636 1.921 30 10 JDEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCN1CCN(C(C)=O)CC1 1358941499 MNKLXXIVLBHSSB-UHFFFAOYSA-N 475.391 1.950 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1Cc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 1358957321 SPCGNUDESFNTSS-IHPCNDPISA-N 474.583 1.633 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358961858 GLZIKDIWVPCJJP-OKZBNKHCSA-N 476.628 1.220 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1358967916 VLUUMWSNTYJGHS-TZIWHRDSSA-N 474.583 1.598 30 10 JDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccnc1N1CCOCC1 1358982411 WBYNCWQHXYAIJI-UHFFFAOYSA-N 475.578 1.622 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CCC(C)C 1359070814 VXMIKOHJTJGMJI-QIJUGHKUSA-N 467.636 1.790 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)C)CC1 1359100114 XIJOYXCKSZJKGH-AQNXPRMDSA-N 482.651 1.123 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1359151337 ROKGDPJKKSGGIR-DLBZAZTESA-N 485.014 1.413 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCN(C(=O)COC)CC1 1359293094 GUWYPSFWFHCWRB-UHFFFAOYSA-N 495.609 1.974 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC(=O)N1CCOCC1 1359295195 TUGNJJGRMOIROU-UHFFFAOYSA-N 477.363 1.305 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1359297110 FVNFJDODAKMXAT-SJORKVTESA-N 458.538 1.754 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](NC(=O)CC)C1 1359329646 PWBSPQVHXXACLO-GOSISDBHSA-N 489.598 1.812 30 10 JDEE COCCN1C(=O)c2ccc(C(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)cc2S1(=O)=O 1447210064 AWHSCCQSERXNMX-IBGZPJMESA-N 455.492 1.563 30 10 JDEE C=CCC1(O)CCN([C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 1473808687 ILHGFHHWOJFWHS-GOSISDBHSA-N 451.589 1.746 30 10 JDEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1 1503899976 BDIZFTUZXMNKQO-UHFFFAOYSA-N 453.503 1.143 30 10 JDEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1507553731 IQIAGUHAOLBGFN-UHFFFAOYSA-N 490.572 1.286 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 1507576967 NYHCHFYZQZDXMZ-IBGZPJMESA-N 474.631 1.766 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1F 1507617723 ZAANMALRGVEHTK-MAUKXSAKSA-N 451.524 1.287 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1507634788 MVZNDQAKCCUWEF-GOSISDBHSA-N 472.596 1.542 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@]1(C)OCCc2sccc21)[C@@H]1CCS(=O)(=O)C1 1507637414 KCQOEHZBQPMIKS-IERDGZPVSA-N 464.613 1.991 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2nc(C)ns2)CC1 1507753412 MWPINQPGLFKFTN-UHFFFAOYSA-N 460.633 1.644 30 10 JDEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507754811 ZAQILUQRWFXSJT-SFHVURJKSA-N 474.537 1.986 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1507823711 DXSYKQIKHKWBED-AZUAARDMSA-N 487.630 1.392 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1507837046 HHDRITDGZCNJQA-KKSFZXQISA-N 467.567 1.718 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)c2ccccc2)CC1 1507884812 MREPITJUWQTMLE-SIKLNZKXSA-N 461.588 1.675 30 10 JDEE C=CC1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCNS(C)(=O)=O)CC1 1507896727 ALHRPRIDINDHEP-UHFFFAOYSA-N 481.648 1.498 30 10 JDEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](S(C)(=O)=O)C1)c1ccccc1 1507924534 OVLAYIPYCZEUBP-QRQLOZEOSA-N 481.644 1.872 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccnc(C)n2)CC1 1507969023 ZHAQHYXZJZVKKR-SFHVURJKSA-N 461.592 1.198 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(N)=O)cc1)C1CC1 1507992799 JAOFDFREQYBNQJ-GOSISDBHSA-N 475.575 1.305 30 10 JDEE C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1508047886 RMUNYJVJFOXSMG-UHFFFAOYSA-N 452.544 1.556 30 10 JDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(NC(=O)COC)CC1 1508062747 LWBSIOKJKBPJJM-UHFFFAOYSA-N 467.618 1.560 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1508085612 VWEFOYCQTDOJOU-KRWDZBQOSA-N 466.633 1.340 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1508098742 RGJVOVTUQVNTNR-GAJHUEQPSA-N 478.594 1.678 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](COC)C1 1508134443 DWGXSRBDKSFZPM-AWEZNQCLSA-N 474.381 1.488 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCc2c(ccnc2N(C)C)C1 1508143411 KZKXIEXIRIEGHS-UHFFFAOYSA-N 484.630 1.764 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(C)cs1 1508145295 LGJBRBJTMUITHE-OAHLLOKOSA-N 458.631 1.787 30 10 JDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCS(=O)(=O)C1 1516342331 HUCBRNLMINRCMR-MSOLQXFVSA-N 475.571 1.809 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1517624917 GCYVBWCVUDPSBJ-DOMZBBRYSA-N 458.466 1.522 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1539072247 NXZNIVAFLXRANP-OALUTQOASA-N 480.635 1.156 30 10 JDEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1539216158 OEGAOUHOHYQKEE-GOSISDBHSA-N 498.609 1.728 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCOCCS(C)(=O)=O 1539264982 BCZQBJHYJUZWFI-UHFFFAOYSA-N 493.630 1.527 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C1CC1 1539417177 YHHDWUVMXYPDPR-SFHVURJKSA-N 476.578 1.199 30 10 JDEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1539686401 SVJUMFBJGJUFBL-UHFFFAOYSA-N 492.378 1.119 30 10 JDEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC(=O)N1CCOCC1 1539960520 CRBVVTVDBXTRIT-UHFFFAOYSA-N 475.619 1.890 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1540004540 AVNNQMQLGZZJEU-ROUUACIJSA-N 452.625 1.183 30 10 JDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1540039753 FTNIFOYAXAXPGY-UHFFFAOYSA-N 484.605 1.003 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1540861754 FIJDNSDCXIZMMC-UHFFFAOYSA-N 488.614 1.853 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(CC(F)(F)F)CC1 1540873118 NJLSVSXTRPZRDN-UHFFFAOYSA-N 476.507 1.893 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1540897189 CRMYVGHMVPHOEQ-NVXWUHKLSA-N 495.005 1.886 30 10 JDEE COCCN1C[C@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@](C)(C#N)C2)CC1=O 1555573494 BQYPTZWJBDJPSA-AUSIDOKSSA-N 454.579 1.765 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1587807917 KQXOSWZTUZOPBC-UFYCRDLUSA-N 465.668 1.297 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1588049805 LIVYXEHCQVGXBZ-JKSUJKDBSA-N 470.555 1.503 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 1588050920 XYVIOICEGUJCHR-QGZVFWFLSA-N 457.585 1.471 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O)[C@@H]1CCS(=O)(=O)C1 1588059597 QQFURBVSCBGIHU-UYAOXDASSA-N 475.590 1.587 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(OC)nc1OC 1588124606 OMZLOZIQVRKDLT-UHFFFAOYSA-N 469.505 1.725 30 10 JDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1589089674 VFLIHHNAFLFZEL-UHFFFAOYSA-N 466.615 1.093 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCCNC2=O)CC1 1589482770 LCOCIOLZNHFOKF-IEBWSBKVSA-N 459.595 1.782 30 10 JDEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1594461111 IZXRJKHFRIPNIY-UHFFFAOYSA-N 491.596 1.926 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(C)C(C)=O)CC1 1594626881 QBWRZPWYXIHOBC-LJQANCHMSA-N 468.624 1.414 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1595714961 QTANSDHVIGXPOF-PMACEKPBSA-N 456.595 1.403 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1595744614 OBCBGEORBCHBBM-AZUAARDMSA-N 457.556 1.945 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1595778393 ZCGROFCIFPUHBV-GOSISDBHSA-N 489.598 1.764 30 10 JDEE CC(=O)N1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)CC1 1596019934 BDHISKPKQVXOEG-UHFFFAOYSA-N 465.558 1.370 30 10 JDEE CC[C@H](C)[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1)OC 1613136844 IBHDCKCWVALFGL-FCEWJHQRSA-N 451.531 1.982 30 10 JDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C[C@@H](O)c3ccc(C#N)cc3)C2)CC1 1653707232 DFTKNDVMJCDHKN-LJQANCHMSA-N 450.561 1.158 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)CC1CC1 1689850854 IHABJRRPFDMDMM-QGZVFWFLSA-N 457.604 1.735 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(OCC2CC2)c1 1689852572 HPBZUGBQMYGUBX-LPHOPBHVSA-N 474.587 1.301 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C(CC)CC)no1 1689966557 VMSDTCNLZPLXGW-SFHVURJKSA-N 450.565 1.620 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1689997100 VXDWTQFAFJEHTK-TZIWHRDSSA-N 474.583 1.516 30 10 JDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1690025140 GHZJPCNBFJHYOW-NRFANRHFSA-N 450.591 1.155 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CC1 1690091306 OVHQGDCNDFTKCS-NOVUIFNWSA-N 464.588 1.870 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1690095387 PGUJTIVLMICYPP-QHCPKHFHSA-N 469.567 1.437 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(O)CCSC2)CC1 1690138128 SORJRZHIDCVLCE-XMMPIXPASA-N 485.610 1.796 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCCO2 1690264737 BJUWSRDTFLSNIY-HXUWFJFHSA-N 477.587 1.833 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](COC)C1 1690668903 NAMHIYHMEMICPT-KRWDZBQOSA-N 465.558 1.840 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705560965 MDPRJAKDJSSFRQ-CRAIPNDOSA-N 464.510 1.899 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1705563556 ZOZABBLJIOHMKF-LJQANCHMSA-N 498.609 1.988 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1705566572 OGMYYRPZZZTUJQ-OALUTQOASA-N 492.623 1.194 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1705567092 UCRZMLLMOBQRRK-INIZCTEOSA-N 479.488 1.767 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705568020 FUHFPCOWIMFRFQ-LJQANCHMSA-N 498.609 1.518 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1SC 1705599423 YWKVQRBSLNMBNI-LJQANCHMSA-N 491.614 1.983 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1705620725 DRZXZNBNGHJKOO-JOCHJYFZSA-N 466.586 1.215 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cc3ccccc3o2)CC1 1705633183 LGYKOOSGYWRFDS-QGZVFWFLSA-N 456.572 1.632 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1705635144 RZVIQMVVMXEXPX-QFIPXVFZSA-N 497.587 1.905 30 10 JDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705813097 VOKAUURDDFQYNE-QGZVFWFLSA-N 459.576 1.375 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1F)C1CC1 1705854953 RSRZTEPBVHOHFA-IBGZPJMESA-N 465.551 1.962 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCN(C(C)=O)CC1 1705861367 CLDHLUPBRPBASE-JOCHJYFZSA-N 486.642 1.537 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1705934990 DAWPOUFHKZYZMB-HTAPYJJXSA-N 464.563 1.993 30 10 JDEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCS(=O)(=O)N1CCSCC1 1709136925 CEEZZVNSLRXGPG-UHFFFAOYSA-N 493.634 1.556 30 10 JDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(C(C)=O)CC2)CC1 1710337609 GUCYCLQRMOQFNL-UHFFFAOYSA-N 464.574 1.927 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(c2ncccc2F)CC1 1711417891 DXGATMOWLPMOFM-UHFFFAOYSA-N 484.561 1.617 30 10 JDEE COc1ccccc1SCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1712018728 CHSXKAGZMDKBEG-PMACEKPBSA-N 481.575 1.571 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCCS1(=O)=O 1722281186 UAJLNKRPUCWOLD-HNNXBMFYSA-N 479.632 1.040 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC 1722291071 BZNNRYVJRIDYTD-CVEARBPZSA-N 454.597 1.400 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C2CCCC2)CC1 1722332952 QGIQUODPDLLPGE-HXUWFJFHSA-N 464.636 1.479 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722368109 ZDUNGFDIOOMIGL-FQEVSTJZSA-N 471.627 1.966 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1722438807 CSLXXHZIKONTNU-OAQYLSRUSA-N 456.616 1.357 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1722461941 JYHXQEYUYMETGM-LJQANCHMSA-N 470.603 1.273 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1722487837 UYJKVQBBPPUPNB-GDBMZVCRSA-N 453.385 1.466 30 10 JDEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722683199 DOVBLJNZFRJJTN-UHFFFAOYSA-N 492.769 1.882 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722693764 ZMPBIOYMXNYQGO-UWJYYQICSA-N 496.572 1.144 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1722702246 MISRQJYCUJWFEC-UHFFFAOYSA-N 478.557 1.415 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1722729848 YWFBEWRJBPGBAP-JTSKRJEESA-N 464.563 1.993 30 10 JDEE C[C@H]1CCCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)C1 1726582439 HQGNFPFQIJROKO-SFHVURJKSA-N 458.588 1.695 30 10 JDEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1727927475 FLMPUMPKIDGVNA-GOSISDBHSA-N 489.584 1.956 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ncccc2F)CCO1 1729680730 GXUPIWXUDZNNMS-GOSISDBHSA-N 451.462 1.381 30 10 JDEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740568079 YWBNUIPAOJMQCA-SJLPKXTDSA-N 454.506 1.508 30 10 JDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCCc1ccccc1 1740602605 XMUIYPCBUUNBDC-UHFFFAOYSA-N 479.610 1.975 30 10 JDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1740647759 ZYLKZOKHTOZFQV-QHCPKHFHSA-N 471.583 1.283 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1740684034 IVHGBUVXFDQJOT-KRWDZBQOSA-N 484.582 1.103 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCCC=C)CC1 1740695902 HDHUZXVVCIAHIH-HXUWFJFHSA-N 474.606 1.934 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1740701574 MFXBZSDIHUOASE-UHFFFAOYSA-N 498.031 1.728 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)nnc1C(C)(C)C 1740767686 QCWIHIQXKFTEPN-QFBILLFUSA-N 472.594 1.023 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1740787690 LRJJEIQWARBVOF-IRXDYDNUSA-N 478.623 1.403 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCS(C)(=O)=O)C1 1740974334 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C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1760182457 GAFOUBQAFKCVMO-QGZVFWFLSA-N 459.963 1.885 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1760185526 YSFIRZBUWVERED-INIZCTEOSA-N 459.572 1.353 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1760185713 BRMNCCATYBADBP-MRXNPFEDSA-N 491.520 1.957 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(C(=O)NCCC)c1)[C@@H]1CCS(=O)(=O)C1 1760193055 RYPPCJWGUBNMRJ-NHCUHLMSSA-N 485.610 1.944 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(F)c(F)c1 1760205404 ARURIAZXMFBVDG-IBGZPJMESA-N 479.509 1.041 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1760205862 LMVKCWHKTABXKO-RTWAWAEBSA-N 468.579 1.777 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1760312865 FSMQWAPSMKFDKM-LAUBAEHRSA-N 497.600 1.939 30 10 JDEE C=CC[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)C1)c1ccccc1 1760417465 CWWRSDLOTFBLNW-PMACEKPBSA-N 488.614 1.249 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](C)O[C@H](COC)C1 1760514589 ANZUCXRNPIHRSJ-WMZOPIPTSA-N 451.531 1.878 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1760523796 HYGLWNCURFHRLL-XVAXZDLZSA-N 487.649 1.639 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)Cc3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760528986 SPERETUBMNATBZ-AREMUKBSSA-N 496.612 1.512 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1760558400 NUYAVZXEGNOAIA-YYIAUSFCSA-N 468.576 1.912 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccccc1Cn1cccn1 1761475539 DSCJFSMWQQJVPI-QGZVFWFLSA-N 468.587 1.921 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCC(O)CC1 1767063300 ACKRTANCPQGZHR-FQEVSTJZSA-N 472.615 1.535 30 10 JDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1767749205 IDNDQAAPOCTREC-GOSISDBHSA-N 459.576 1.203 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCS(=O)(=O)C1 1768658801 GWCBKWBJAYSASR-IBGZPJMESA-N 456.572 1.847 30 10 JDEE CO[C@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1770588654 DDWAPEXAADRQLO-CTNGQTDRSA-N 468.558 1.839 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1772564610 DYNRQUGWYGOTPY-SFHVURJKSA-N 472.575 1.375 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)NCCN(C)C)nc1C 1858791961 NYIZHNOCHXKFBR-UHFFFAOYSA-N 462.532 1.890 30 10 JDEE C=CCN(CC=C)C(=O)[C@@H](CC)NC(=O)c1ccc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 1868812653 SPJIXVQKVKJFRZ-XZOQPEGZSA-N 488.654 1.705 30 10 JDEE CC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 1869930065 SFWUSBATPBJVPQ-SFHVURJKSA-N 470.551 1.577 30 10 JDEE C=CCOc1cn(CCCN2CCOCC2)c(CNc2ccc3c(c2)C(=O)N(C)C3=O)cc1=O 1870812053 MYDIXHLAKPTUCP-UHFFFAOYSA-N 466.538 1.973 30 10 JDEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3/N=C/c3ccccc3C(=O)O)CC2=O)cc1 1874199325 LBUXAKKEYOYXSK-BJOYXVINSA-N 494.533 1.965 30 10 JDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(c3ccc4nncn4n3)CC2)[C@H]1c1ccc(C#N)cc1 1890055930 PBCPMQCEZBCRNP-PKTZIBPZSA-N 490.593 1.738 30 10 JDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)c2c3c(nn2[C@H]2CCS(=O)(=O)C2)CCC3)C1 1891510655 DPLMCKMFMJQNLM-LSDHHAIUSA-N 456.528 1.077 30 10 JDEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)c1 1891984571 UHTXRDNRXVFHCZ-XLIONFOSSA-N 455.540 1.880 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255753473 SRRXCVSQWLFIEQ-SHTZXODSSA-N 453.370 1.715 30 10 JDEE COCC1(NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255808185 FXXSZNIGGPFDMF-UHFFFAOYSA-N 453.370 1.808 30 10 JDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NN1CCN(C(=O)OC(C)(C)C)CC1 2255832766 RBTGSGQUYFWTRO-UHFFFAOYSA-N 452.386 1.948 30 10 JDEE COCCN(CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2256626964 PZUNGVQYUDVCOH-UHFFFAOYSA-N 455.386 1.942 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@]12C[C@H]2C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256666911 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Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(OC2(CNC(=O)OC(C)(C)C)CS(=O)(=O)C2)n1 2337046460 SJIWBUNBBICRQL-UHFFFAOYSA-N 468.381 1.760 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2359271565 QALTVDNWMCINHB-AYSMAOOMSA-N 460.340 1.330 30 10 JDEE CC1(C)OB(c2cc(Cl)cnc2N2C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)OC1(C)C 2364900876 VWZKZIGSEMXGDX-PWSUYJOCSA-N 476.692 1.393 30 10 JDEE C=CCN1C(=O)N[C@H](c2cccc(Cl)c2)C2=C1CN(CC(=O)N1CCN(CCOC)CC1)C2=O 34792213 PJPWNFYOFZOYFQ-JOCHJYFZSA-N 487.988 1.479 30 10 JDEE Cn1ccc2c(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cccc21 608892612 DPWMBTUJUFGLOI-UHFFFAOYSA-N 451.508 1.522 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)CC1 680517745 UTIMPYBWOAHDPJ-UHFFFAOYSA-N 478.615 1.320 30 10 JDEE COCC/N=C(/NN)Nc1cc(I)cc(I)c1 690320452 GLDWZNULVPTRDK-UHFFFAOYSA-N 460.057 1.773 30 10 JDEE C#CCN(CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 731212628 AFVIOBIUTDBBKZ-MRXNPFEDSA-N 488.031 1.575 30 10 JDEE CC(=NNc1nc(SCC(=O)Nc2nnc(SCC(N)=O)s2)n[nH]1)c1cccs1 1084367522 SBSACPFIURZRSM-UHFFFAOYSA-N 469.603 1.862 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cnc2c(Cl)cnn2c1 1286467443 PRAAJWJWEYUMGL-MRXNPFEDSA-N 477.978 1.205 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(CC)C(=O)C1 1286604073 FBPXJYGLVXURNO-UHFFFAOYSA-N 490.630 1.847 30 10 JDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1286774660 AANVTPXATQKMPS-IBGZPJMESA-N 472.615 1.689 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1286785081 ANRCTLVDNGRUJU-HNAYVOBHSA-N 473.528 1.693 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1286790690 NXRBSMHASHOBBF-MRXNPFEDSA-N 474.587 1.346 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)[C@@H](C)C1 1286815442 VHPQIEPCCSPOAE-CALCHBBNSA-N 481.644 1.888 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2cnn(CC)c2)CC1 1286820697 PKIWJAXVSGMFNH-GOSISDBHSA-N 496.659 1.381 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H]1CCCOC1 1288862218 HXNIVMNSOZXRFK-ROUUACIJSA-N 473.603 1.513 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)[C@@H]2c2c(C)nc3ccccn23)c1 1296512294 JPMWFAJPRZAYEN-NRFANRHFSA-N 450.520 1.753 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1cc([C@@H]2CCOC2)cn1 1300515922 CNCHDUBGTYUOID-HXUWFJFHSA-N 478.578 1.822 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cn2cccn2)cc1 1300557402 SKFJLNIWCFKNCV-IBGZPJMESA-N 465.583 1.644 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC[C@H]1CCCCO1 1300579792 ZUAWHMAVQNLMBE-UXHICEINSA-N 463.604 1.423 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCC(=O)NC2CC2)CC1 1300716861 TUSYYGGFBVGKHR-UHFFFAOYSA-N 464.570 1.978 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@](C)(O)CCC)CC1 1300718564 SSVRWYOQWNQWFX-XMMPIXPASA-N 487.626 1.866 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC(F)(F)CO2)CC1 1301124094 GBTFZVNBAJCJKN-CVEARBPZSA-N 461.535 1.438 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1C 1301349910 USRXPDCPYWCTEG-NRFANRHFSA-N 485.614 1.894 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1301500157 JPBYZHGAYWBQII-SFHVURJKSA-N 454.579 1.633 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCS(=O)(=O)N2CCSCC2)C1 1301566393 PRXOWVQBWFVXEC-IBGZPJMESA-N 495.675 1.300 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CC(=O)N(C)C[C@H]1C 1301577149 KOEYTTNDAGCBQB-MRXNPFEDSA-N 454.556 1.761 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(c3cccc(O)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1301596666 VMJVNQYQHGKOEL-HSZRJFAPSA-N 491.614 1.563 30 10 JDEE CC(C)(C)Cc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCS(C)(=O)=O 1302164864 GSIAQOFCSOYBSB-UHFFFAOYSA-N 461.592 1.975 30 10 JDEE C[S@@](=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1 1302504392 ATZWVNNRPDYWIO-SSEXGKCCSA-N 462.601 1.200 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCN1CCOC[C@@H]1C 1303809198 GSTSSPYOOUMUJF-IRXDYDNUSA-N 461.592 1.117 30 10 JDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1309088842 XFSIZLBZKXRYBV-OAHLLOKOSA-N 454.570 1.314 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358955246 IKQWIZNSGGFNII-UXHICEINSA-N 499.641 1.817 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1358966015 GJHQXCXOJKDYIB-OAQYLSRUSA-N 495.605 1.756 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCC(=O)N[C@H](C)CC)CC1 1359033080 OQBMKORGXBBZRQ-GOSISDBHSA-N 452.559 1.776 30 10 JDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359135137 SWZAPEVHGIPDBJ-HXUWFJFHSA-N 453.547 1.623 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1359208428 LSMMESIVELDKTJ-HNNXBMFYSA-N 464.552 1.484 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2cccc(F)c2)C1 1359333256 RTHFZFJETZZZIS-ZWKOTPCHSA-N 482.603 1.914 30 10 JDEE C[C@@H]1CN(C(=O)Cn2cc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)cn2)C[C@@H](C)O1 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C#CCN(c1nnc(Cc2cccnc2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1507633662 FZSAFNBMHQBWJL-HXUWFJFHSA-N 453.572 1.486 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)OC(C)(C)C)CC1 1507715649 GCFBYEVUAXHWFD-UHFFFAOYSA-N 454.535 1.205 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCS2)n1 1507717216 RMUSTZUKQODFEQ-AZUAARDMSA-N 492.671 1.949 30 10 JDEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCOC(C)C)CC1 1507718819 IAGWUGBGERPOJK-UHFFFAOYSA-N 459.620 1.727 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCN(C)C2)CC1 1507731390 HEPVAWSRFRJWJR-NLFFAJNJSA-N 487.649 1.214 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@]2(O)CCOC2)CC1 1507741286 YRHUMTINYZRJMN-VWLOTQADSA-N 467.570 1.591 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1507743422 BKAVBYZESZACSO-UHFFFAOYSA-N 476.566 1.649 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1507837417 ONVNGQAZIDELEP-KRWDZBQOSA-N 491.593 1.818 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1507844054 BFSKVECJWTYWQI-UWJYYQICSA-N 454.593 1.547 30 10 JDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1507962287 PKXAZAGIPVLOFN-HXUWFJFHSA-N 468.606 1.851 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CCOC2)CC1 1508161360 LEESSUFHDGUSGS-OALUTQOASA-N 485.676 1.783 30 10 JDEE CCN1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1515868402 BPQZQKZQSHGIDR-KURKYZTESA-N 453.613 1.224 30 10 JDEE Cn1nc(-c2nnc(N3CCC(CC#N)CC3)n2CCS(C)(=O)=O)c2ccccc2c1=O 1517420561 FWCQPPZYXHBMSY-UHFFFAOYSA-N 455.544 1.367 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CCCO2)CC1 1539072615 SLSRLYKUZXUIEM-UXHICEINSA-N 465.620 1.810 30 10 JDEE C#CCCCn1c(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1539140117 LZGNBYANBBGJFL-RUZDIDTESA-N 486.617 1.284 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1539205361 HDORQEXEPWFCPM-WMZHIEFXSA-N 490.630 1.344 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539218927 FZFVZBZPRYBLKW-NQIIRXRSSA-N 492.045 1.870 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CCN1CCCS1(=O)=O 1539399288 JQSBUINHSKPMAI-UHFFFAOYSA-N 488.433 1.891 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCS(=O)(=O)C2)CC1 1539488989 FMIMMYWMUFMMRM-MISYRCLQSA-N 491.658 1.597 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1540005349 KNDDKRFQZMJBJA-IAGOWNOFSA-N 459.638 1.254 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CC1(C(N)=O)CCOCC1 1540136624 JCBHAUNQWJEKRO-SFHVURJKSA-N 456.522 1.843 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccccc3F)C2)nnc1[C@]1(OCC)CCOC1 1540876712 YUGPGSFUYUUSCT-CVDCTZTESA-N 459.522 1.949 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1540916429 BHDNIOPFBLJZHV-HLIPFELVSA-N 456.634 1.874 30 10 JDEE CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 1554356217 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C=CCNC(=O)Cn1c(N(C)C[C@@H]2CCN(C(C)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595593423 DGQIDAPSZBBPFA-GBESFXJTSA-N 489.621 1.656 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1595699854 IGMUKSSJWOGLQH-INIZCTEOSA-N 467.979 1.715 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C 1595759246 DFKUPXZENHVNNP-YQVWRLOYSA-N 481.644 1.872 30 10 JDEE COC[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(Br)c1 1595851750 CYMLUJQSNJSYGE-OAHLLOKOSA-N 452.330 1.992 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC(C)(C)C1 1595883725 ACBDYQUYTABIIW-MRXNPFEDSA-N 473.665 1.924 30 10 JDEE N#Cc1c(N)sc2c1CCN(C(=O)c1cc(S(=O)(=O)N3CCOCC3)ccc1F)C2 1603032363 GPYZBMFZBVUNET-UHFFFAOYSA-N 450.517 1.560 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCOC1=O 1689999626 FEDFQYYXSHLHTJ-UHFFFAOYSA-N 454.918 1.777 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1690110280 FOYNQXAAZVKKLF-OAQYLSRUSA-N 498.031 1.875 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC(=O)N2CCOCC2)CC1 1690115989 YOVWQCUUEKVHNE-UHFFFAOYSA-N 487.402 1.712 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](N1CCOCC1)C(F)(F)F 1690256401 LECPQSIRTRRZAK-GJZGRUSLSA-N 468.546 1.554 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1690419838 CSFVQRAYKYKVNG-UKRRQHHQSA-N 453.569 1.760 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCOCC2)C1 1690432433 DJIZPOJSCKHTRJ-GOSISDBHSA-N 483.635 1.599 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(CC)noc1C)C1CC1 1690545272 MXSGSNPIUFTEJE-GOSISDBHSA-N 450.565 1.673 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1690661924 LIBZNOBWTYKQML-QGZVFWFLSA-N 484.557 1.474 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1690665598 JGPIAZFCOBTVBI-UHFFFAOYSA-N 456.938 1.914 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC(C)(C)[C@@H]1C 1690672216 LQGLYCZZRDANTK-DLBZAZTESA-N 478.594 1.892 30 10 JDEE COC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)OC 1697762323 HSUXGNFIPOPARH-SFTDATJTSA-N 467.574 1.475 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1705523211 MTIZPFJBKNGVAS-UHFFFAOYSA-N 459.576 1.589 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1705564669 DNDSUFBFIPJVEN-OXFYSEKESA-N 450.586 1.378 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1705571743 GZEWAHNXGLNETR-QZTJIDSGSA-N 479.603 1.623 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1705639038 DUTWFGUZJBFYTK-FQEVSTJZSA-N 455.559 1.355 30 10 JDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCNC(=O)C(C)(C)C)CC1 1705641338 BDNOODSTPYWYRP-UHFFFAOYSA-N 452.603 1.989 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCC(C)CC2)CC1 1705647135 BAZRHPWTNKFOBV-FQEVSTJZSA-N 455.607 1.317 30 10 JDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705666183 RADLGMSABCMRJX-UHFFFAOYSA-N 484.582 1.753 30 10 JDEE C=C(Br)Cn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705692858 VVBJGGGQVDXSAT-NRFANRHFSA-N 497.438 1.628 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705705597 JIKBPSWALPYTHG-TZIWHRDSSA-N 460.604 1.717 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1705891039 WAXNTKNUBUUQER-AEFFLSMTSA-N 466.633 1.742 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1705894609 FBHIIZBDKZNLQN-HZPDHXFCSA-N 474.905 1.278 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](n2cncn2)C1 1705895293 AVFKNWYVZCVODZ-OAHLLOKOSA-N 474.367 1.781 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1705895302 BEOKMVOFISZIMP-PBHICJAKSA-N 478.395 1.495 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCS(C)(=O)=O)C1 1705921966 CSVQTRZUUQCAGW-QGZVFWFLSA-N 486.598 1.891 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCNC(C)=O)C1 1705925389 OSLJYAPLCORKLA-MOPGFXCFSA-N 478.594 1.894 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1705934552 PIKKEOLTRVXSJK-ZOKDDAQRSA-N 465.601 1.204 30 10 JDEE CCC[C@@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1709436430 GAUBAPJJAGNTEC-VGOFRKELSA-N 475.619 1.638 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@](C)(C#N)C1 1711420252 DOMXRIDKIYGXQT-OAQYLSRUSA-N 454.560 1.810 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1722360638 BHKAFGGAXVIFAF-WOJBJXKFSA-N 455.540 1.249 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1722371559 KDEYGZLAJSBIIR-HXUWFJFHSA-N 468.583 1.768 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1722413010 HBHSEJOVLSYPLM-SJORKVTESA-N 458.592 1.140 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC2([S@@](C)=O)CCC2)CC1 1722441986 QGELLOUSMJSILL-JGCGQSQUSA-N 457.600 1.922 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCCOC(F)(F)F)CC1 1722445763 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C=C(C)COCCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740792810 AIEAZPDQOADJMQ-OFNKIYASSA-N 467.618 1.845 30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCOCCN(C)C)CC1 1740820298 XSTBJKGBIDALJQ-UHFFFAOYSA-N 462.620 1.930 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(O)CCO[C@H]2C)C1 1740975270 UNZJNJMEMDCWNP-GWJPWWOOSA-N 491.614 1.517 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1740988401 CZWJWKDWRZAEEA-HOCLYGCPSA-N 455.968 1.834 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1740988891 SGBVEPQTEVBCJS-UHFFFAOYSA-N 456.572 1.722 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(F)F)cc1 1748671268 ICNFJROJCXDHPU-YOEHRIQHSA-N 469.514 1.719 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCN(CC)C2)c1 1748691982 AOTLSFNMOPYCQT-PMACEKPBSA-N 484.626 1.578 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC=CO2)n1 1748970836 UXEHRTCKBNDCQX-HXUWFJFHSA-N 453.547 1.690 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2Cc2cnnn2C)CC1 1749004015 CEYUTMMJYILLAY-SFHVURJKSA-N 492.584 1.959 30 10 JDEE C=C(Br)Cn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1749112056 AFAVYYODRLISGY-RDTXWAMCSA-N 455.357 1.441 30 10 JDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1749445400 NGMZZFRFWONRFW-CYBMUJFWSA-N 489.524 1.853 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749727109 NAXWVYJONCYIHC-LJQANCHMSA-N 450.952 1.453 30 10 JDEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749754223 HQDVUFSXTUOPSN-HNNXBMFYSA-N 489.627 1.983 30 10 JDEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1750211965 AAYLXPZDEAFSAJ-ROUUACIJSA-N 492.627 1.017 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(OC(F)F)cc1 1751217773 HGSGECOFJJGWGD-XIKOKIGWSA-N 458.466 1.980 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCNC(=O)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1760186984 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C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(NC(C)C)CC1 1286782047 IYPLLLKWNORHQW-UHFFFAOYSA-N 489.646 1.464 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1286819074 YYUIEBOQXTUOHV-SFHVURJKSA-N 460.604 1.630 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1286821640 RCOYBCXMFAKRKC-IAGOWNOFSA-N 468.482 1.862 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1300479645 QZEZPNNGUMFAMT-HXUWFJFHSA-N 455.584 1.692 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc([C@H]2CCOC2)cn1 1300577845 CQWHDCMQJUOMQB-RBUKOAKNSA-N 456.572 1.044 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(CC)CC)nc1 1300631992 ZLCLUVNPEQPTPU-LJQANCHMSA-N 475.619 1.360 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N1CCCC1 1300671698 MQGLVRQBDQSSLT-MOPGFXCFSA-N 461.588 1.696 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2ncc(C)s2)CC1 1300683786 SWJUXXPTDUDBAR-GDBMZVCRSA-N 451.622 1.212 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C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1540905212 UURNZGKFUTYNAB-GOSISDBHSA-N 476.603 1.968 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@]1(O)CCSC1 1541946748 AFAFUVYDFJACRV-UQASEVPWSA-N 492.627 1.206 30 10 JDEE COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1544847969 CARLJKBUSAXVKD-ZFWWWQNUSA-N 452.442 1.980 30 10 JDEE COc1ncccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1555126761 FPAHAANVCSCQRH-GOSISDBHSA-N 475.575 1.193 30 10 JDEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)CC1 1555209877 CHPWPUMEHPVSGU-IBGZPJMESA-N 497.600 1.181 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(CCC)C(=O)OC(C)(C)C 1587563196 YVCJIDMPJNZSLA-JKSUJKDBSA-N 456.613 1.993 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1587807852 JTWIGUYVSLIEAK-PKOBYXMFSA-N 453.609 1.856 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588055265 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C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1595506874 OWQJLUCZLXALTQ-UHFFFAOYSA-N 491.552 1.622 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC2CCOCC2)C1 1595728524 CIAAYWFSYHGSRS-WOJBJXKFSA-N 483.635 1.599 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2F)CC1 1595784895 MQUXWVSZGUPDPZ-UHFFFAOYSA-N 457.535 1.802 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCOCC2)CC1 1595884231 IECBUBSLSPBEMK-IBGZPJMESA-N 469.677 1.648 30 10 JDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1595905145 DXHRFLGOTLBUSW-QZTJIDSGSA-N 471.649 1.680 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCO[C@H](C)C2)CCO1 1596641367 FTSJORWTFHMNMC-XXBNENTESA-N 481.601 1.659 30 10 JDEE C#C[C@H]1COCCN1C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 1597053937 WIAZGFFERQZNDD-FQEVSTJZSA-N 457.527 1.811 30 10 JDEE CCc1nn(C)c(OC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC)CC1 1613899869 FYRRZBSTUUVZDE-UHFFFAOYSA-N 463.546 1.631 30 10 JDEE 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C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1689982754 TWBWKYPYCTYTSE-FYINFDKHSA-N 464.975 1.765 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CSC)c1)[C@@H]1CCS(=O)(=O)C1 1689988846 XIUQXMISHIRGJW-RTBURBONSA-N 473.624 1.767 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1690013653 XWAFBEXLZQQIHI-BJLQDIEVSA-N 463.542 1.832 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1690104223 QCRQCHFLUDCMHZ-QZTJIDSGSA-N 483.635 1.769 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(N3CCOCC3)CCSC2)CC1 1690110495 OODZXEJDPMERJW-DEOSSOPVSA-N 489.690 1.160 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1690117246 AHBKHCKQQRDTDX-NRFANRHFSA-N 481.645 1.744 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)C2CC2)CC1 1690124799 URAWSPXVMOURAP-NTKDMRAZSA-N 474.606 1.503 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1690124870 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452.625 1.642 30 10 JDEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C(=O)NC 1359133740 YLKDXAQTWZXGKW-ROUUACIJSA-N 480.610 1.998 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1OC 1359272299 OXFPVTXCDCYDFH-IBGZPJMESA-N 465.551 1.985 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1359291066 CXHWYFYZJNOTKY-QFIPXVFZSA-N 455.519 1.002 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(NC(C)=O)nc2)C1 1359322409 VEGCVFNHJWBJJX-ZWKOTPCHSA-N 460.560 1.363 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccccn2)CC1 1359334220 XIOKULZXNCVOOR-UHFFFAOYSA-N 453.572 1.586 30 10 JDEE Cc1nsc(N2CCN(C(=O)NC3CCN(S(=O)(=O)C(C)(C)C)CC3)CC2)c1C#N 1478421983 BGPLXJMBNVZGMD-UHFFFAOYSA-N 454.622 1.748 30 10 JDEE CC[C@@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1496187727 IFFOTHBCZCPZKZ-YLJYHZDGSA-N 455.563 1.410 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507621474 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C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1540897118 BAYYOSGQVQSFMS-SFHVURJKSA-N 467.636 1.929 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](C)C1 1540901621 KMXHXNVKIVEXJA-IRXDYDNUSA-N 486.598 1.889 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)CC#N 1540902309 GQDIOYNMCCYISB-QGZVFWFLSA-N 458.592 1.791 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1540907433 WYYRRJVAOYPHHD-UHFFFAOYSA-N 464.636 1.949 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1540907825 JTNJCMQHBGWHPL-UHFFFAOYSA-N 493.597 1.665 30 10 JDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1548321861 DHGCEBVXZZFZDL-NRFANRHFSA-N 460.560 1.126 30 10 JDEE COCCN1C[C@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@@](C)(C#N)C2)CC1=O 1555573503 BQYPTZWJBDJPSA-XXBNENTESA-N 454.579 1.765 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CN(CC(C)C)CCO1 1587931927 GCIQBLAAPBPTAP-HXUWFJFHSA-N 474.631 1.622 30 10 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486.602 1.023 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1595577634 ZEZXOZNUCJQKBQ-UHFFFAOYSA-N 452.559 1.963 30 10 JDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCC(=O)Nc1ccc2c(n1)n(CC)c(=O)n2CC 1611573584 MNXSFGKMVYCQLS-UHFFFAOYSA-N 457.531 1.760 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nnn(CCOc3ccc(F)cc3)c2C)cc1 1634003037 LXKWAPLPADNPCZ-UHFFFAOYSA-N 457.487 1.968 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1689977698 AUDXRRYIOLMRKY-HOCLYGCPSA-N 464.617 1.612 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(SC)CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 1689998287 IDJYOXNYYDCUOC-QZTJIDSGSA-N 467.661 1.584 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(C(N)=O)CCOCC1 1690043331 XNORNUNDSKFDBY-UHFFFAOYSA-N 457.538 1.876 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1690119584 KVBBSRJWPILSAE-SFHVURJKSA-N 456.978 1.849 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@]2(O)CCN(C)C2)CC1 1690133456 HOVFCPCJCAEMMQ-XMMPIXPASA-N 454.575 1.078 30 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495.403 1.249 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H](C)N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1705564093 AAAQFHICDYDOBL-TZIWHRDSSA-N 462.664 1.588 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 1705564406 BZWLCRCPVISCIH-IAGOWNOFSA-N 450.511 1.930 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCn2nc(C)cc2C)CC1 1705651412 WDFZFBGZJINXCK-UHFFFAOYSA-N 466.590 1.270 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(C(C)(C)C)s1 1705674838 RZWCBFMZIPCIJY-YCRPNKLZSA-N 493.659 1.800 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ncccn2)CC1 1705791961 JFXWNLQOVFNBKX-SFHVURJKSA-N 490.634 1.330 30 10 JDEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1705814741 YNPGJUIZWSWMCZ-UHFFFAOYSA-N 461.530 1.250 30 10 JDEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CCOCC1 1705884443 OWXWFBSMCJXEJL-UHFFFAOYSA-N 457.579 1.632 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cc(C)oc1C 1705884601 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COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)CN2CCOCC2)c1 1730022601 GRLNENSEFWBDTM-UWJYYQICSA-N 456.547 1.659 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1740623476 UXAIEHKPZSPXIP-HOTGVXAUSA-N 470.555 1.646 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740625386 FHWCKAQLXWUVDD-RBUKOAKNSA-N 497.687 1.071 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1740628000 MEMIAYFMBLMBFU-IBGZPJMESA-N 459.572 1.318 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1740738089 CXCBPOMZYUUNTA-TUAOUCFPSA-N 472.431 1.055 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](OC)C(F)(F)F)C1CC1 1740910946 UXNHZNUMMMQPAH-CABCVRRESA-N 467.514 1.733 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2CCC[C@H]21 1740953412 FOKCLLGKYYGYHJ-QFBILLFUSA-N 458.588 1.876 30 10 JDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(OCC(=O)N(C)C)c2)CCOC1 1746733468 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457.604 1.486 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1359076819 NAXSWICULZWTFY-QWHCGFSZSA-N 458.386 1.524 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(NC(C)=O)cc2)CC1 1359165867 YYWMLTMMIYHHNN-NRFANRHFSA-N 488.614 1.969 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2nccs2)CC1 1359300877 LWNYUELIJWWWMR-HNNXBMFYSA-N 450.590 1.323 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1359331239 RWEISOGAGBSUBI-LJQANCHMSA-N 474.587 1.077 30 10 JDEE CC(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1359665612 CVWGSJVFUMUJNJ-IRXDYDNUSA-N 461.567 1.679 30 10 JDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)CC2CC2)cc1OC 1504202443 HDIXGOSAFCHVBT-KRWDZBQOSA-N 461.544 1.516 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC2(CCOCC2)C1 1507574814 CJCJVPYQAUPNMO-UHFFFAOYSA-N 473.599 1.995 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507629466 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1692662497 HXXNABOYWAMKSJ-APWZRJJASA-N 486.602 1.858 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705566235 MMYICHCYJSDTGS-WSTZPKSXSA-N 489.646 1.193 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)c1ccco1 1705595973 NCDUNRMWYJBCOU-UHFFFAOYSA-N 469.505 1.678 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1705620265 PGGSISLIYYPSTH-GOSISDBHSA-N 462.547 1.501 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCS(C)(=O)=O)CC1 1705645899 ITOCSXCMLHXHTA-UHFFFAOYSA-N 459.572 1.354 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(C)C)CC1 1705662266 UWCSYNKSYNHIKO-GOSISDBHSA-N 455.650 1.850 30 10 JDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705679267 HPXHACBZQLBWNO-CQSZACIVSA-N 464.324 1.175 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1705725672 MRYYIECJOUULQN-GOSISDBHSA-N 487.586 1.862 30 10 JDEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1705825134 KNXHZUBHVOGUHP-SFHVURJKSA-N 473.965 1.668 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1N1CCOCC1 1705884172 IELFVSUHBOURHD-IBGZPJMESA-N 476.603 1.099 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1705907686 UEVHTEXLUPHIBO-UHFFFAOYSA-N 485.564 1.173 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ccnc(C)n2)CC1 1705932784 ZOLUXRHZWXZQRH-UHFFFAOYSA-N 454.560 1.366 30 10 JDEE CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1)C(C)C 1711543034 GEJMIDFRMOTFAV-FXAWDEMLSA-N 475.619 1.758 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1722383721 QPQNFQCFYCFKRQ-OXJNMPFZSA-N 466.485 1.703 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cc(C)nn2C)CC1 1722443252 FRVZJULPEKGELM-XMMPIXPASA-N 469.590 1.375 30 10 JDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CN(CC(C)C)CCO1 1722449931 VOGNWRJRTHOFFW-GOSISDBHSA-N 458.563 1.449 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCC)CC1 1722460828 ZORGNBLYIRPFOY-KRWDZBQOSA-N 453.634 1.289 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722493349 YCDOODQVABNIPD-AOIWGVFYSA-N 489.602 1.425 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)CC1 1722528736 KMHIDTPQBBQGIH-AWEZNQCLSA-N 454.519 1.165 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1722618189 PVUOMNVKLMZBKT-AWEZNQCLSA-N 489.524 1.813 30 10 JDEE CCCN1CC[C@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCO[C@H](C#N)C2)C1 1728118926 GEFQAKWPUFACCY-AZUAARDMSA-N 487.630 1.656 30 10 JDEE COCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1 1730580346 BMEFFKFHUVEHCW-UHFFFAOYSA-N 468.558 1.840 30 10 JDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1 1731010780 FIWIKXVFSIDQNI-OXQOHEQNSA-N 466.514 1.862 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(F)c1 1740553686 UBSHWWMIWJWNDY-KBXCAEBGSA-N 451.524 1.265 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(N2CCOCC2)n1 1740611321 ZYZOFPKXKGNLJM-FQEVSTJZSA-N 497.600 1.936 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(c2ccccc2OC)C1 1740645303 CROJIJDMTIQYSA-PMACEKPBSA-N 484.626 1.886 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@H]2CCCN(C(C)=O)C2)n1 1740689560 YCDXPWJJRICGSH-SFTDATJTSA-N 469.590 1.523 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCNC(=O)C2CC2)CC1 1740690036 MQTRJGWOVFIANV-UHFFFAOYSA-N 469.977 1.143 30 10 JDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCN(C)C(C)C)CC1 1740695462 RVYPVANJUYIYPY-UHFFFAOYSA-N 458.636 1.334 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCCOC2)CC1 1740697381 BXYWOZYDFBIHOF-LJQANCHMSA-N 472.615 1.377 30 10 JDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1740823970 HEIXIDVMKXREDX-NRFANRHFSA-N 480.591 1.583 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(OC)c1)C1CC1 1740910573 PXYIVGIZAMWVLK-FQEVSTJZSA-N 477.587 1.831 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1740955500 WIQUYKYAWHFHLD-IBGZPJMESA-N 452.559 1.999 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)[C@H](C)C1 1740987151 PSFKEOBQINKGQG-GFCCVEGCSA-N 471.381 1.303 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1740991986 KIARBSWRPQTZLX-ROUUACIJSA-N 453.609 1.072 30 10 JDEE CC(=O)N1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1741051266 VAFOIJPCVRMTNA-LJQANCHMSA-N 485.545 1.768 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCN2CC=CCC2)c1 1748690527 UIZRNGWKLYCPOC-UHFFFAOYSA-N 461.570 1.832 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)Oc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1748812536 VUHJGAAGZUAAOJ-HKUYNNGSSA-N 484.582 1.781 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1748820574 FAJZGLAETLLNIS-FYYLOGMGSA-N 485.654 1.801 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)N2CCC(C)CC2)CC1 1749014435 JUUDGGRTXIQTJO-FPOVZHCZSA-N 490.674 1.266 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@]2(O)CCN(C)C2)CC1 1749015305 CHBHCFXOCWGHCR-AREMUKBSSA-N 464.614 1.486 30 10 JDEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1749159664 WTCJSIQGLDMKEC-SFHVURJKSA-N 467.578 1.843 30 10 JDEE C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1749200752 RAESZIJKJIKFPH-UHFFFAOYSA-N 466.586 1.537 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCn2nc(C)nc2C1 1749686451 BFAYLNSWSSALSO-OAHLLOKOSA-N 472.575 1.422 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC(C)(OC)C1 1749730918 VPQLEAXTADGVBQ-UHFFFAOYSA-N 472.571 1.501 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1749736826 PYYGFVQSKLWLRE-LJQANCHMSA-N 458.563 1.785 30 10 JDEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1750000390 ICJCZJZAGMBSOY-UHFFFAOYSA-N 478.601 1.333 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1CC(=O)NCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760184121 VMKJUJKWJHVUNR-UYAOXDASSA-N 457.600 1.777 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(-c2ccccc2)c1 1760233384 LZAAKWPPTNBVFG-FQEVSTJZSA-N 469.571 1.305 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760240206 KFBVKZNEPQNIDE-IBGZPJMESA-N 488.589 1.575 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1760341819 YIXYMRBQKYZOFD-GOSISDBHSA-N 487.630 1.176 30 10 JDEE C=CCCOCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760447990 VGUREABOCALUMN-UXHICEINSA-N 482.585 1.775 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cccc(F)c1 1760515945 HZMHMRDXWOZBKA-RHSMWYFYSA-N 450.540 1.671 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1760521817 DYSSOPXJZVFIOG-UHFFFAOYSA-N 458.538 1.646 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](NC(C)=O)C1 1760553252 PQCMSXUTKHUGNG-KRWDZBQOSA-N 477.587 1.668 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1760554779 MKRZTAHBWFQKRU-UHFFFAOYSA-N 475.619 1.288 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1760556035 SWGFZCWDTYRJCD-UXHICEINSA-N 473.599 1.668 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC2(CCN(C)C2=O)CC1 1760556760 PEGSCXAZRMYXCU-UHFFFAOYSA-N 487.626 1.927 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccnc(OC2CCOCC2)c1 1761462899 BRWUIEXVFACJBS-HZPDHXFCSA-N 477.591 1.628 30 10 JDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCN(C)C(C)(C)C2)cc1OC 1768531005 DKDXJRZASQDVSU-LJQANCHMSA-N 469.590 1.717 30 10 JDEE N#CCC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(C(N)=O)CCOCC2)CC1 1770754080 AQRDVQAAIZMDPV-UHFFFAOYSA-N 471.587 1.682 30 10 JDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(N(C)C)cc1 1865730267 ZTGPLVJPZKNTNJ-QGZVFWFLSA-N 451.527 1.045 30 10 JDEE N#Cc1c(NC(=O)COc2ccc(S(=O)(=O)N(CCO)CCO)cc2)sc2c1CCC2 1872719814 BGRBLBOGRHGPKN-UHFFFAOYSA-N 465.553 1.101 30 10 JDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)c2c3c(nn2[C@@H]2CCS(=O)(=O)C2)CCC3)C1 1891510654 DPLMCKMFMJQNLM-HUUCEWRRSA-N 456.528 1.077 30 10 JDEE CN(CC(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1)c1nc2c(S(C)(=O)=O)cccc2s1 1891958932 MIJJWELQHHPCQU-CQSZACIVSA-N 486.579 1.868 30 10 JDEE C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC[C@H](n3cc(-c4cncc(C#N)c4)nn3)C1)C2=O 2087921139 GHFFQVXCPGOTJK-LNZPYGSCSA-N 476.541 1.876 30 10 JDEE C=CC1(NC(=O)c2nc(S(C)(=O)=O)ncc2Br)CN(C(=O)OC(C)(C)C)C1 2196121721 FLEVMFVWOAAFJH-UHFFFAOYSA-N 461.338 1.548 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Oc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2255343479 XHXREUVCBYKMAR-UONOGXRCSA-N 454.354 1.450 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255631061 SVGKJXOVRNQTJS-UONOGXRCSA-N 453.370 1.854 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CCO1 2255659439 SCQSHEDAKGPMRR-CYBMUJFWSA-N 453.370 1.808 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255953257 GGGZRFBBJWHRIS-UONOGXRCSA-N 474.410 1.618 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256614255 MGCNIEPZGWDOHZ-AWEZNQCLSA-N 453.370 1.694 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C12CC2 2256638991 AZQAYPIPCFQEEB-GFCCVEGCSA-N 450.370 1.987 30 10 JDEE Cn1cc(C(=O)N2CCOC[C@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267177802 TTWJGKUVLHJDSB-CQSZACIVSA-N 450.345 1.085 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H](O)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267364864 GMUVGZRIOVHZSP-CYBMUJFWSA-N 474.360 1.289 30 10 JDEE C[C@H]1[C@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1Cc1ccccc1 2267704651 RLHRGJMMTJUSHZ-DOTOQJQBSA-N 461.397 1.056 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H]1CCCN1Cc1ccccc1 2267715701 BCIALGMXJRGODF-GOSISDBHSA-N 460.409 1.662 30 10 JDEE COCC1(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267721529 QBPDMCZIKHLCIG-UHFFFAOYSA-N 488.437 1.962 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CC(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268624791 VMGCFTYJQNGSDD-UKRRQHHQSA-N 467.397 1.676 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCCO1 2282025664 RMBFOUHLIQTDBQ-INIZCTEOSA-N 462.356 1.532 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)CC2)n1 2282503537 BNPSUKOCROIUJH-HNNXBMFYSA-N 484.428 1.787 30 10 JDEE CN(Cc1n[nH]c(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)n1)C(=O)OC(C)(C)C 2282524241 IFCPFXMHWDEQAH-UHFFFAOYSA-N 461.332 1.457 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](C)C[C@@H](NC(=O)C(F)(F)F)C2)n1 2282587095 IHNSJAZCMWPHMI-QWHCGFSZSA-N 458.290 1.731 30 10 JDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2282679666 CJNHQBHNZZNLJD-QGZVFWFLSA-N 462.400 1.605 30 10 JDEE C[C@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2282836250 HOJZJONGTSELHP-GJZGRUSLSA-N 484.428 1.643 30 10 JDEE CC1(C)OB(c2nccnc2C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)OC1(C)C 2283067650 FAJPPMXEZCTCPP-RBUKOAKNSA-N 450.348 1.501 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(=O)O)n1 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CC(=O)N1CCN(C(=O)C(/C=C2/C(=O)ONN2c2ccccc2)=NC(=O)c2ccccc2)CC1 585673661 NSZHQWGICIRXMQ-XAOIDXCXSA-N 461.478 1.325 30 10 JDEE COCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cccc(Cl)c1C 729668258 DLYBGVPHNFSPRZ-UHFFFAOYSA-N 493.976 1.774 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)no2)CC1 1140132573 JFIZAYFCLNULPH-UHFFFAOYSA-N 459.547 1.296 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H](C(F)(F)F)[C@H](CO)C3)CC2)cc1 1140521996 AVFKASLTGAHMKK-WMZOPIPTSA-N 459.490 1.978 30 10 JDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CCOC)CC1 1286320896 JGWYUBIZXRKQBO-UHFFFAOYSA-N 459.620 1.810 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1CCS(=O)(=O)CC1)[C@@H]1CCS(=O)(=O)C1 1286384788 SBKWOBYSKKXEOS-LJQANCHMSA-N 492.623 1.405 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1286390132 XRYHMGBQKPAPTI-PMACEKPBSA-N 466.567 1.620 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286390589 BQNLVLZGPMDRDZ-VWPQPMDRSA-N 486.642 1.390 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1286823085 JPBJNVQQWKGYPH-UHFFFAOYSA-N 497.643 1.156 30 10 JDEE CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N1CCN(c2cnccc2C#N)CC1 1298659968 FMFGJWMDXAFSAA-IEBWSBKVSA-N 456.591 1.828 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CCS(=O)(=O)N1CCSCC1 1300586641 GWUMFLDMJDMURE-UHFFFAOYSA-N 487.651 1.719 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCN2CCc3sccc3C2)CC1 1300682047 DTKIWZYKBDKMFT-IBGZPJMESA-N 458.632 1.877 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCNC(=O)C(C)(C)C)CC1 1300698196 PIABVQUJSOXPKD-UHFFFAOYSA-N 490.612 1.592 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC2CCCC2)CC1 1300725369 HFBWIBWZAFNHIP-LJQANCHMSA-N 477.631 1.495 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=O)NCCC)CC1 1300727157 UKZAREIKCDETMO-HXUWFJFHSA-N 466.542 1.283 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCC(C)CC2)CC1 1300728871 ICLTXNDEFSLDQH-UHFFFAOYSA-N 483.661 1.878 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1300756802 UBNVABSCGUCQQK-KRWDZBQOSA-N 459.645 1.937 30 10 JDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1301216449 KKTWUORASAJZDA-IRXDYDNUSA-N 458.567 1.998 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cccs1)C1CC1 1301326954 JRQSZPMPTGNFBQ-OXJNMPFZSA-N 467.617 1.735 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1301517772 CBIAFOUICBWXRN-DEOSSOPVSA-N 481.557 1.653 30 10 JDEE C=CCNC(=O)Cn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301520721 MSEQLDNCSRIHPS-OWCLPIDISA-N 461.567 1.066 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)C(=O)C1 1301531184 FCPFERSFQSZZAL-IBGZPJMESA-N 489.598 1.088 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@](C)(C(N)=O)C1 1301585965 OMFPHOPVFILJCA-QFIPXVFZSA-N 470.555 1.903 30 10 JDEE CC(C)OC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CCO1 1303538046 ALWFRRJQKFGFCM-LJQANCHMSA-N 463.560 1.404 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)CC1 1310081269 IMBYWNZOSQEPNK-UHFFFAOYSA-N 450.561 1.719 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 1312618046 WVPRUVWCUPIROG-VQIMIIECSA-N 450.561 1.675 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1353246918 HITZJBVWUTUFRM-DJJJIMSYSA-N 469.947 1.485 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCCN1CCCC)[C@@H]1CCS(=O)(=O)C1 1358960712 KEOWHUPBFOEZGZ-LEWJYISDSA-N 473.647 1.960 30 10 JDEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(O)CCN(C)C1 1358982088 KBGWKRRZOHKLDV-NRFANRHFSA-N 458.360 1.759 30 10 JDEE C#CCN(CC#CC)c1nnc(CSc2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1 1358998659 NMGJQYGDNSBXGQ-UHFFFAOYSA-N 488.635 1.982 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCCO[C@@H](C)C2)CC1 1359044360 DEXPONMGKHBJAM-RBBKRZOGSA-N 472.634 1.639 30 10 JDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359053353 KNDLONVLGBOJKG-UHFFFAOYSA-N 482.610 1.591 30 10 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C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1)c1ccccc1 1539765618 HMLGGIMVECPESB-NRFANRHFSA-N 496.612 1.987 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1539803013 DAZHNAYCTFOEKQ-CABCVRRESA-N 462.967 1.309 30 10 JDEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C(N)=O)CC1 1540034295 ZLANPFCLISMDCS-UHFFFAOYSA-N 461.592 1.533 30 10 JDEE COc1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)c(OC)c1OC 1554907334 FNHOKIKKKZDZKP-ZHRRBRCNSA-N 493.561 1.891 30 10 JDEE COc1ccccc1SCc1nnc(N2CCO[C@H](C#N)C2)n1CCCS(C)(=O)=O 1555117512 FTGFEXRJVVBGQP-OAHLLOKOSA-N 451.574 1.742 30 10 JDEE CS[C@@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1555831577 GPPKSKYONMVYHZ-JKSUJKDBSA-N 463.633 1.838 30 10 JDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cc1 1562263713 UJHHLFVQIZPWOK-UHFFFAOYSA-N 458.544 1.762 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)n1 1587640105 ORTYQRCALLMOFN-ZFWWWQNUSA-N 472.493 1.531 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(Cl)cc1F)[C@@H]1CCS(=O)(=O)C1 1588025165 UMDFXKLNPQHULS-QGZVFWFLSA-N 479.965 1.982 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(COC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588053025 ADAXXGGVZXCOLR-MSOLQXFVSA-N 463.604 1.453 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(CC)CC)n1C[C@]1(O)CCS(=O)(=O)C1 1588472082 CFPHDTGFNNQSSK-HSZRJFAPSA-N 491.589 1.525 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCNC(=O)OC(C)(C)C)CC1 1588733767 ZSNXRFGFWGMBCA-UHFFFAOYSA-N 482.589 1.986 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCC(=O)N2)CC1 1588961948 QFFWFAJTWWQNLD-HXUWFJFHSA-N 464.570 1.718 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1589482890 MIRYFIHOHRQAMU-TZIWHRDSSA-N 473.622 1.142 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1589503456 DBHAHLZPSATHTG-YADHBBJMSA-N 491.596 1.971 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)NC 1595127336 MRSUJOVRXCHNLV-UHFFFAOYSA-N 476.534 1.887 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)N(C)C 1595133315 DZKUOXCNHFCRDT-KRWDZBQOSA-N 450.540 1.452 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cnccn2)CC1 1595405581 RONPPVAFWBTZMP-KRWDZBQOSA-N 456.551 1.889 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(O)(c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1595602933 VACDMRAVDKSLCR-DEOSSOPVSA-N 455.559 1.720 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(CO)CC1 1595760715 RQEITCUYOSSKFR-UHFFFAOYSA-N 461.588 1.957 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C)C(=O)C1 1595760818 UJXYVQITMXQLLR-OAHLLOKOSA-N 451.524 1.436 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1595884727 RNFTZIZWANWBGZ-OXQOHEQNSA-N 456.634 1.874 30 10 JDEE N#Cc1cccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H]2OC[C@H]3n2nnnc2-c2ccc3c(c2)OCCO3)c1 1614399459 PFIDXAQZQKHDTB-RZXSNQJFSA-N 476.449 1.939 30 10 JDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1680778032 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NUSKOQXQFDOTNX-MRXNPFEDSA-N 450.499 1.731 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(S(C)(=O)=O)CC1 1690664446 SVESSGVYGALPGY-UHFFFAOYSA-N 473.386 1.636 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1690668786 JAXXZHLRJBSVSR-CQSZACIVSA-N 451.453 1.456 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@](C)(O)CCOC)C1 1690697505 WTPAUVBOVVZCNL-XDHUDOTRSA-N 468.558 1.761 30 10 JDEE CN(C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1)S(C)(=O)=O 1696651574 COUPLPQWHQURAB-HXUWFJFHSA-N 490.586 1.004 30 10 JDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1705523478 YUJRDDKUVYRDRT-UHFFFAOYSA-N 465.605 1.106 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccs1)N(C)C 1705552196 WHTWNGYETXSUPC-JKSUJKDBSA-N 452.606 1.045 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1705561233 OIBNOPPBFRNAOZ-MRXNPFEDSA-N 484.420 1.835 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCCNC(=O)c1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1705563822 GDXANGMMSVBJAZ-HXUWFJFHSA-N 494.577 1.493 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1705565156 STRYCRUKCDQPGL-UTKZUKDTSA-N 457.581 1.936 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 1705567502 XZYWCGQEICBNII-LJQANCHMSA-N 454.556 1.752 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705630919 LRHOFSAMURNREA-IPMKNSEASA-N 467.636 1.564 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCN(CC)C2)CC1 1705644760 BDVZGLTUYNTIKC-DVECYGJZSA-N 458.607 1.238 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCOCC2)CC1 1705646090 QRGFRZZPYXLNLF-UHFFFAOYSA-N 462.554 1.714 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(OC)C2CC2)CC1 1705650852 AMCMBBPVUVKAFP-DEOSSOPVSA-N 453.591 1.921 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OC 1705716491 MPNZZIKVDXXGII-QGZVFWFLSA-N 450.565 1.465 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)C[C@@H]2C(=O)NCC1CC1 1705721094 LIBYNOXQBPSNRW-DOTOQJQBSA-N 450.609 1.597 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)C[C@H]1C 1705935886 FYXPKWQELBXXEZ-QAPCUYQASA-N 461.544 1.058 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1705937202 MFZGPNFDHKRNTL-IBGZPJMESA-N 455.588 1.667 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1705938153 OSVLLZYGLXPAMG-HTAPYJJXSA-N 480.562 1.981 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)CCO1 1706047565 BYINHUQXBXUOMZ-GTJUCTONSA-N 458.588 1.705 30 10 JDEE CC(C)N1CCC(O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CC1 1706567780 DKGCTOZHWGAWKO-IBGZPJMESA-N 464.636 1.546 30 10 JDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1712422740 DAPICUMYDPQTHO-QFIPXVFZSA-N 467.618 1.944 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC2(S(C)(=O)=O)CC2)c1 1722307422 NNNNYMBSKRJKPO-UHFFFAOYSA-N 478.578 1.897 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1722364433 ZTIVGMSVYXNSQE-QGZVFWFLSA-N 459.572 1.495 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1722368964 USUGKAONSPYONO-VLOYRQLPSA-N 463.604 1.451 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1722369032 XWILTDDPNLRAQH-WMZOPIPTSA-N 460.556 1.474 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1722369584 BNAMGWMLIYVJGJ-KRWDZBQOSA-N 477.562 1.395 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCN(CC)CC1 1722394477 VBJISAVJHVKCFB-UHFFFAOYSA-N 496.685 1.729 30 10 JDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1722518561 VWYMRNPCQYYGCV-GOSISDBHSA-N 468.624 1.403 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1722523200 GIGWXGCHXGWBDY-SFHVURJKSA-N 468.624 1.270 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)NC(=O)OC(C)(C)C)C1CC1 1722651474 VCYLRJMKIHGTBY-NVXWUHKLSA-N 484.623 1.679 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCN(Cc2ccccc2)C1 1722685265 BHTFUOADRGTBPW-LEWJYISDSA-N 474.631 1.755 30 10 JDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(CCOC)[C@@H](C)C1 1722702083 KINIUNNVXDYUHI-IBGZPJMESA-N 451.575 1.740 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCN(C(C)C)C2)C1 1722718565 LNALJGKQTSYNRY-HBMCJLEFSA-N 496.678 1.513 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1722749658 IFXWYPSWXRHNBM-UFRUDQCGSA-N 494.639 1.547 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(Cn2cccn2)cc1 1723932193 AEHWVXHPYYATKZ-HRAATJIYSA-N 472.550 1.623 30 10 JDEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1740621842 ZQPBYNZJERMIKU-SFHVURJKSA-N 464.551 1.422 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ncc(C)s1 1740657073 OQQCXCGMRQOHNF-AEFFLSMTSA-N 476.628 1.643 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1740684052 JAYSTWKDFFOFHH-JXFKEZNVSA-N 451.449 1.765 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCC(=O)N[C@H](C)CC)CC1 1740704161 IZMYPCCGTZIESQ-QGZVFWFLSA-N 451.575 1.919 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2c(CC)nn(C)c2OC)CC1 1740704189 JUKWZXLJGWYUKE-UHFFFAOYSA-N 463.546 1.054 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1740710382 YNDQGXSAPCSTHR-CVEARBPZSA-N 486.664 1.700 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CCC[C@@H]1NC(=O)NC1=O 1740734754 CRVXMDYIROUJGC-QMHKHESXSA-N 452.515 1.846 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCNS(C)(=O)=O 1740764968 ZNUPKBFBXZLMBT-PKOBYXMFSA-N 451.597 1.106 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CCN1CCCS1(=O)=O 1740917299 NPZXGTSEOQHICQ-UHFFFAOYSA-N 483.598 1.500 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1740959376 SWKORDODRLPYLI-HXUWFJFHSA-N 452.607 1.555 30 10 JDEE CC(C)N(C)CCn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1741608792 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C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1Cc1cn(C2COC2)nn1 1748828337 CLUCJOJZGCGSFU-UHFFFAOYSA-N 455.320 1.330 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCN2CCC(O)CC2)CC1 1748984845 SWXVAZQKQJNPJI-UHFFFAOYSA-N 468.602 1.564 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(N)=O)CC1 1749135026 BGUFRQQYCSTBSQ-LPHOPBHVSA-N 458.588 1.953 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1749213850 QQONDKYFYOFMMZ-INIZCTEOSA-N 485.680 1.484 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2)CC1 1749230564 ZHFOBSJTSCTOBL-OAQYLSRUSA-N 490.630 1.530 30 10 JDEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1 1749231815 ZNGHQRAUZKBZFY-INIZCTEOSA-N 450.540 1.115 30 10 JDEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749239230 HCVJXSSTRJTKSC-UHFFFAOYSA-N 486.548 1.516 30 10 JDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1749445756 XKXLOUOROJPMBV-GOSISDBHSA-N 483.639 1.209 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC(=O)N2CCOCC2)C1 1749703463 IWVWVWQRGULMKA-IBGZPJMESA-N 471.558 1.993 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1749714296 GZKSJNQNJAYAKL-FQEVSTJZSA-N 468.583 1.935 30 10 JDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760157254 JJZPZKMASXFYAA-UHFFFAOYSA-N 478.582 1.504 30 10 JDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760157334 MDUQDKPIZKYKOX-SFHVURJKSA-N 469.571 1.450 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1cc(C(F)(F)F)ccn1)[C@@H]1CCS(=O)(=O)C1 1760182600 LBVOESZUXXPGSQ-QGZVFWFLSA-N 498.531 1.700 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1760189805 LXNHLZTUCROWCR-LYHRCORUSA-N 474.583 1.044 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnc(C)s1 1760197538 ZZZUUGNIVLTCKK-UHFFFAOYSA-N 455.569 1.476 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ncc(C)s1 1760205974 OHTGDYMCPXYPHS-RDJZCZTQSA-N 462.601 1.252 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1760248699 CPVPHPAMDLVNRF-IAGOWNOFSA-N 474.583 1.647 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)nc2ccccc12 1760249639 PLARQKFSLWZGQV-QGZVFWFLSA-N 469.567 1.871 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)NCC=C)CC1 1760271315 UCWHZPTZYMGQJY-UHFFFAOYSA-N 470.961 1.779 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)n1 1760295476 TXTIFQBDILXLHK-DENIHFKCSA-N 458.588 1.549 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)n1 1760295478 TXTIFQBDILXLHK-SIKLNZKXSA-N 458.588 1.549 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760510135 HNPZISHQHFWQPU-HZPDHXFCSA-N 470.596 1.291 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760516928 YJUDIESXQMWJOE-IVZQSRNASA-N 458.494 1.890 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](CNC(C)=O)C2)cc1 1760529609 CVUHBPXLRAQZLT-NRFANRHFSA-N 468.558 1.469 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[C@@H]2NC(=O)NC2=O)C1 1760547221 GSMLLXXRMSQZEY-XWTMOSNGSA-N 460.579 1.966 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1768292710 HUOHDYQXERJGIO-CZUORRHYSA-N 472.493 1.912 30 10 JDEE COc1ncccc1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1770564760 BCTZIJKEXLQGSW-UHFFFAOYSA-N 456.528 1.661 30 10 JDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H](C)O1 1770939927 BVSXHRIYKGGGHF-QRFRQXIXSA-N 474.587 1.338 30 10 JDEE N#Cc1ccc(COc2cn(CCN3CCOCC3)c(CN3CCC(O)CC3)cc2=O)cc1 1870348247 PQEMYFMCRDOJAQ-UHFFFAOYSA-N 452.555 1.588 30 10 JDEE CCN=c1nc(N2CCN(C(=O)[C@@H]3SCC(=O)N(C(C)C)[C@H]3c3ccc(C#N)cc3)CC2)cc[nH]1 1889697742 MKJCUVUWCWRKCJ-XZOQPEGZSA-N 493.637 1.944 30 10 JDEE C[C@H](CCNC(=O)OC(C)(C)C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2255749350 RSSVCUUMCVLDBM-CYBMUJFWSA-N 458.390 1.301 30 10 JDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256619962 CMIGDFWWRUBYJD-NSHDSACASA-N 452.342 1.116 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2266987731 FLEAHWQTBLSRRC-IRXDYDNUSA-N 450.316 1.835 30 10 JDEE CCc1nc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(B2OC(C)(C)C(C)(C)O2)s1 2267171084 FBSIDIQSGIWLBU-CHWSQXEVSA-N 467.397 1.715 30 10 JDEE CN(C[C@H]1CCN1C(=O)OC(C)(C)C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267379891 WYYUCNFBDFVDPG-CQSZACIVSA-N 470.401 1.349 30 10 JDEE CN1CCN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)[C@H](CNC(=O)C(F)(F)F)C1 2267459679 FEJUTMXANYSGAP-GFCCVEGCSA-N 461.315 1.482 30 10 JDEE CCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2267474317 SDWXVRWDFZDWMR-UHFFFAOYSA-N 472.417 1.563 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N=[S@@](C)(=O)CCNC(=O)OC(C)(C)C)n1 2267707944 AHXQJBOGTNCMQO-HKBQPEDESA-N 492.429 1.031 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1COC[C@]1(C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268649645 DWKQDFZPGYCPLG-ZSEKCTLFSA-N 467.397 1.988 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2282173825 BKHASZJFUXHSHG-NUJGCVRESA-N 461.368 1.688 30 10 JDEE COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2282192838 DDFVSYWJLDAJQT-MRAWUWRDSA-N 464.324 1.908 30 10 JDEE C[C@@H]1C[C@@H](CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN1C(=O)OC(C)(C)C 2282337505 HURKKVBKXXSOKS-CABCVRRESA-N 484.428 1.643 30 10 JDEE Cc1nc(NC(=O)[C@]2(CO)CCN(C(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2284019544 ZSYGMQKEFQOUFJ-JOCHJYFZSA-N 462.356 1.642 30 10 JDEE Cn1nc(C(=O)N2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1B1OC(C)(C)C(C)(C)O1 2288586919 WPBOAVOOPBPDQB-UHFFFAOYSA-N 462.356 1.181 30 10 JDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2Br)CC1 29970805 RVPOWCPQHZTOTO-UHFFFAOYSA-N 474.377 1.234 30 10 JDEE Cn1c(=O)c2c(nc(N/N=C/c3ccccc3O)n2C[C@H](O)COc2ccccc2)n(C)c1=O 107321947 QBONBWGSYXIRJR-SOAGAIGUSA-N 464.482 1.025 30 10 JDEE C#C[C@@]1(O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]2O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 575229532 SQQXJBRONRGLRT-DVTHTTIGSA-N 472.534 1.529 30 10 JDEE COc1ccc(N2NOC(=O)/C2=C\C(=NC(=O)c2ccccc2)C(=O)NCCN2CCOCC2)cc1 585673304 AEDHZVIGQYCLAF-ZGNOGXSNSA-N 493.520 1.092 30 10 JDEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)c(F)c1 609253816 LUSMXQQXUJFIQR-UHFFFAOYSA-N 457.487 1.408 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(OCC)cc1 729670235 NJFIQELTTZHPDL-UHFFFAOYSA-N 471.542 1.751 30 10 JDEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(=O)N(C)C[C@H]1C(=O)O 757526092 LBUSFGMEPUTYDC-VXKWHMMOSA-N 475.501 1.671 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)CC1 1155493620 CXNYNQRVZGDFBN-UHFFFAOYSA-N 450.520 1.849 30 10 JDEE C[C@@H](CC(=O)N1CCN(C(=O)Cc2ccccc2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1156581964 ANJROYBJHMCRMO-KRWDZBQOSA-N 454.552 1.417 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@H]2CCS(=O)(=O)C2)c1 1286310684 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JNEAFVHMDHRZKS-UHFFFAOYSA-N 451.575 1.333 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286791660 YMIWKQSKPYIROB-UHFFFAOYSA-N 496.584 1.700 30 10 JDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1300408350 JAOLDRUNQJCBTG-HXUWFJFHSA-N 455.607 1.556 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1300483330 KQZMUSSOFRQPKW-VGSWGCGISA-N 462.572 1.750 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1300483495 LUJSHMLGNLFIMN-DLBZAZTESA-N 466.585 1.298 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300487841 MLUXKLSMKYMZQX-TZIWHRDSSA-N 474.631 1.267 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1300503794 FQMBRTMUQXPDOG-QHCPKHFHSA-N 495.653 1.898 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1300504950 WMTXBEGMVWIXAV-GOSISDBHSA-N 470.555 1.458 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCN1CCCO 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1301576620 XDPLTPKOIWQDBF-IBGZPJMESA-N 475.615 1.713 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2nccnc2C)CC1 1301578218 ZSHVOHYCGFPDDF-UHFFFAOYSA-N 483.598 1.980 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccc(F)cc1 1303405113 HVRGKIFTLSQTRN-INIZCTEOSA-N 463.521 1.980 30 10 JDEE COCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1315767592 ASCPKGDBMAZVIZ-QGZVFWFLSA-N 455.567 1.142 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCn2ccnc2C1)[C@@H]1CCS(=O)(=O)C1 1358954938 AZQWOPROXQBLKS-IEBWSBKVSA-N 487.630 1.282 30 10 JDEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1358959428 IPZSNYVGFCCACT-FQEVSTJZSA-N 498.609 1.955 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1358966978 ATCKHKNIPPUAGP-GVDBMIGSSA-N 475.537 1.641 30 10 JDEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1358982533 AOFJIUIJOUYSNM-UHFFFAOYSA-N 456.568 1.486 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1358999727 AUHWRKXQZHEPHB-IAGOWNOFSA-N 461.592 1.016 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1359036656 DIKTYKKEDZDGIG-LJQANCHMSA-N 454.550 1.258 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1359051314 SMHBSCDGEQVTAB-AEFFLSMTSA-N 464.613 1.955 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1359056824 MDXOAEOTZWPFOL-QZTJIDSGSA-N 467.661 1.236 30 10 JDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1359165023 FGRDHFBZIBNKLM-SFHVURJKSA-N 461.563 1.835 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1359203474 PNOWXZIVOHFSIA-UXHICEINSA-N 450.653 1.753 30 10 JDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1359337924 GGGQNEZIBAWFCP-KRWDZBQOSA-N 462.601 1.843 30 10 JDEE COC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CCCCC1 1504053502 BKDFXYHOHKAVGC-QFBILLFUSA-N 470.571 1.402 30 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10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1508041255 KIDRXEINTRQHEQ-YDZRNGNQSA-N 490.605 1.892 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1508071552 AGFIJMYZMNBLHZ-MSOLQXFVSA-N 454.531 1.978 30 10 JDEE CC(C)C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)N(C)C 1509117104 FBBPJYADXCDOIG-IBGZPJMESA-N 460.604 1.940 30 10 JDEE CCc1ccc([C@H](Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)N(C)C)cc1 1513625743 BUEMBYPFILZMCT-RTWAWAEBSA-N 451.575 1.995 30 10 JDEE CCCN1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CCOC)C(=O)C2)C1 1514861072 FXWOORPIZIZHMR-FQEVSTJZSA-N 451.575 1.844 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1519748566 BPRWYNIICGJDQI-UWJYYQICSA-N 450.557 1.956 30 10 JDEE CSC1(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCN(C)CC1 1527706096 AUZBEACRVDICLZ-UHFFFAOYSA-N 450.630 1.903 30 10 JDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(C(=O)OC(C)(C)C)nn2C)c1 1535253235 OBAXZZRUUPCMHS-UHFFFAOYSA-N 452.511 1.862 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C(=O)OC(C)(C)C)C1CC1 1538972599 KVJRMSPBXVFVTJ-HUUCEWRRSA-N 454.597 1.746 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)CC2)c1 1539042490 GTASJLIJUWVHHH-LJQANCHMSA-N 486.598 1.467 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1539222539 WFARFPHLBMBWPO-CABCVRRESA-N 482.488 1.318 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](SC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539229328 BMHFGLLESQEXFA-SJORKVTESA-N 467.661 1.805 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1539231017 NMLPVKPAYRQBBJ-OALUTQOASA-N 490.582 1.298 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccn(Cc2ccccc2)n1 1539238998 FYVKBHZPILVRRX-SFHVURJKSA-N 451.556 1.254 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)nc1 1539392988 YQFHGZJFLYEQFJ-GOSISDBHSA-N 482.541 1.501 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCOC2)CC1 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CS(=O)(=O)N1CCO[C@@H](c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCCCO2)C1 1555811526 GELYOLQJLQUZAW-QZTJIDSGSA-N 452.581 1.310 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCCO2)cc1 1568989819 NYOSZVWACGCLEF-KRWDZBQOSA-N 453.561 1.907 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1CCCO 1587639094 KINPFDRVKRIYGL-XUVXKRRUSA-N 476.622 1.891 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1588034993 OCMIXOIRWRXTQF-ZDUSSCGKSA-N 496.416 1.871 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588045474 LOTPPTFLUUCATG-QUCCMNQESA-N 457.600 1.921 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1Cc1cn(C2COC2)nn1 1588105338 UWKRHTYODSEBOQ-UHFFFAOYSA-N 452.316 1.992 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nc2c(s1)CCCC2 1588646117 GVFFYGRCNODMPU-MRXNPFEDSA-N 463.629 1.844 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sc(C)nc1C 1588647478 VQIQOKFMDUAINV-QGZVFWFLSA-N 482.632 1.013 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCN2CCOC2=O)CC1 1588791443 VAIMGHUAIAUZFB-UHFFFAOYSA-N 454.531 1.560 30 10 JDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1588975736 KQDSZMHLOUZHOS-WIYYLYMNSA-N 489.690 1.552 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1594679220 BATAZFCSEAYKDH-MRXNPFEDSA-N 453.613 1.581 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1594783611 GEWGOGZUZOUURV-IBGZPJMESA-N 459.595 1.689 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1595537238 OEUATBKNBPHYIC-SJORKVTESA-N 462.913 1.902 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1595561901 GPKXGVDKXHGBTJ-KRWDZBQOSA-N 485.614 1.418 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCOCC2(C)C)C1 1595721943 ICPKBHWKVDKVIZ-QZTJIDSGSA-N 453.609 1.072 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(C)(OC)C1 1595765883 IWCGJWSXKPPZIO-UHFFFAOYSA-N 454.574 1.175 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2CCOC[C@H]2C1 1595766802 XQGCKELJSYJYKA-GOSISDBHSA-N 477.587 1.084 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1595776776 FJQQNBSPYSZSPC-UHFFFAOYSA-N 480.550 1.973 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1595844649 GEVBFIMDHQRLBB-HUUCEWRRSA-N 465.667 1.211 30 10 JDEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@](F)(C#N)C2)n1CCS(=O)(=O)N(C)C 1611736154 BNOFKWMWBOKNKV-KUHUBIRLSA-N 454.503 1.891 30 10 JDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1CCCO 1612657119 AYFZSXUPWJTGLW-AZUAARDMSA-N 467.574 1.242 30 10 JDEE COc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc(OC)c1OC 1619070607 CVZLGAFLCXFSLK-JKSUJKDBSA-N 492.602 1.991 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](c3n[nH]cc3C(=O)OCC)C2)s1 1630675103 ZLFFVBOELRELBQ-CYBMUJFWSA-N 452.558 1.671 30 10 JDEE C=CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1)C(=O)OCC 1633796776 IBFOTPGZMSSHPT-KRWDZBQOSA-N 452.529 1.498 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(S(=O)(=O)N3CCCCC3)CC2)c1 1639149947 ZKNVFDREDFJIJZ-UHFFFAOYSA-N 452.598 1.904 30 10 JDEE C[C@@H]1COCCN1CCn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1C(C)(C)C 1649563476 GCMVDCVIVMAWFH-QZTJIDSGSA-N 453.595 1.673 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1689853648 WVBLMUZSCAVUAT-RCCFBDPRSA-N 498.650 1.618 30 10 JDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1689944438 QKRHIQNDDWZVOD-MRXNPFEDSA-N 464.979 1.212 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CN(C)CC)c1 1689965751 CJVDMERCKBKPEB-HXUWFJFHSA-N 460.604 1.180 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1689978009 JUBLHWSQVHYCNU-SFHVURJKSA-N 462.620 1.015 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(C(=O)NCC)cc1)[C@H]1CCS(=O)(=O)C1 1689992578 MFPBHEWIQVOSTA-FQEVSTJZSA-N 457.600 1.901 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CCS(=O)(=O)N(C)C 1690095859 FSEKFIMMNBFQQP-UHFFFAOYSA-N 476.422 1.747 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(OC)nc2OC)CC1 1690113642 POUXAFBYOJBYGJ-HSZRJFAPSA-N 456.547 1.146 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1690141722 BDIOQFCIJYPZON-LJQANCHMSA-N 493.534 1.892 30 10 JDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690225710 ISFQQEFQCUYYOO-CQSZACIVSA-N 463.340 1.354 30 10 JDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1690288254 OXLMDTSMSTWZLX-KRWDZBQOSA-N 476.578 1.656 30 10 JDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1690288268 PJMODIWJYSMMIW-QGZVFWFLSA-N 461.592 1.580 30 10 JDEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1690507779 WPIDSANXHPGOOQ-INIZCTEOSA-N 451.531 1.579 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CNC(C)=O)CC1 1690661745 GCQLGVNRRYQLEA-UHFFFAOYSA-N 464.368 1.690 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3cccc(F)c3)C2)nnc1[C@]1(OCC)CCOC1 1690677971 GPRPOIJRSYYIKK-CVDCTZTESA-N 459.522 1.949 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(N(C)C)c2)C1 1690700420 SAQCSAOGAXNQCW-RTWAWAEBSA-N 490.630 1.507 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1690719982 WYGZRGSZYUIKSY-INIZCTEOSA-N 464.979 1.795 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1690725411 PESJVXFLQNRTLK-IBGZPJMESA-N 476.578 1.649 30 10 JDEE CS(=O)(=O)N1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CO)CC2)C1 1698310937 GAGKPJHNIRHHAE-IBGZPJMESA-N 474.587 1.219 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCC(C)CC1 1705495018 JSIHZQVOJPHYKS-FHWLQOOXSA-N 452.625 1.189 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(COC)c1 1705495259 NFIPJGQEUOKKLQ-KXBFYZLASA-N 465.551 1.403 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1705563105 QURUTFFAIOHSAV-SIKLNZKXSA-N 471.627 1.855 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 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C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1705895088 TXAKMGSABBVUKD-CTNGQTDRSA-N 481.601 1.606 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC[C@@H](COC)C1 1705896537 PZQYDIUWEQAWSE-GOSISDBHSA-N 490.630 1.751 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705933748 QNMUSGGNOPEEDH-MRXNPFEDSA-N 453.952 1.151 30 10 JDEE COCCN(C)CCn1c(C2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1712424349 GBIZRHKESXUQNM-GOSISDBHSA-N 453.595 1.891 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccoc2)c1 1722305947 WUPBBUIJWWJUAK-HNNXBMFYSA-N 456.528 1.586 30 10 JDEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1722362694 VVDCGURTMIFZNO-QGZVFWFLSA-N 468.583 1.542 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1722446652 GYFPKAPPHZXBSB-UGKGYDQZSA-N 466.586 1.584 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1722460344 DVERYOPPGBEHPB-OALUTQOASA-N 493.659 1.324 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CCCO2)CC1 1722462932 ZLLNMWGKKUHAOP-MOPGFXCFSA-N 483.660 1.373 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)CCC)C1 1722490559 AQJDZGJYVOLTAB-DMUMMCEESA-N 482.651 1.755 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1722556392 QTQSPHYIAPCFGL-ARFHVFGLSA-N 460.000 1.300 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc2n1CCCCC2 1722672183 LUTNJPBOYDRVNU-QGZVFWFLSA-N 476.607 1.156 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(Cl)c(F)c1 1722692035 UZIBVHGCJUWAFH-LBPRGKRZSA-N 458.947 1.619 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CC)[C@@H](C)C1 1722697651 NTLUQUJZRJHZGH-KRWDZBQOSA-N 464.574 1.508 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1722697952 AOVAQVRTYFZMLE-QZTJIDSGSA-N 489.598 1.841 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1(=O)=O 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C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(N2CCOCC2)CCSC1)C1CC1 1740905660 DLPBHUIUJRNAFS-OXQOHEQNSA-N 470.665 1.251 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1740987421 GULPSVATWSYTJL-UXHICEINSA-N 489.598 1.811 30 10 JDEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(CS(C)(=O)=O)CC1 1741798486 CFJQRIBONCDTMI-OAHLLOKOSA-N 469.571 1.755 30 10 JDEE COC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1748361617 BYSFFOPXSPMYGW-QGZVFWFLSA-N 459.576 1.198 30 10 JDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)c1 1748578512 HSHQBYRJKJADEE-MOPGFXCFSA-N 461.544 1.658 30 10 JDEE COc1ccc(Br)c(-c2nnc(N(C)C[C@H](C)C#N)n2CCNS(C)(=O)=O)c1 1748584109 BAAHOLXFMMREOX-GFCCVEGCSA-N 471.381 1.861 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OCCN(C)C)cc1 1748671213 GYQGNYCQIWJQSJ-AZUAARDMSA-N 459.616 1.821 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CCCCN1CCC[C@H]1CO)[C@@H]1CCS(=O)(=O)C1 1748802742 SBWHVHNFFCFTRX-RBUKOAKNSA-N 451.637 1.439 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)CC=C)[C@H]1CCS(=O)(=O)C1 1748809179 KFEKFQBYNDTISC-IBGZPJMESA-N 473.580 1.044 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(COC)cc1)[C@H]1CCS(=O)(=O)C1 1748811408 GNMYLSYIDJSAOA-IBGZPJMESA-N 452.540 1.557 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1748818965 IDVQQRANKYONIC-LJQANCHMSA-N 471.562 1.396 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2([S@](C)=O)CC2)CC1 1749006029 GHLRJILSSLDBFY-YTTGMZPUSA-N 455.584 1.831 30 10 JDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749043372 CWZWKVYOEFOHRJ-KRWDZBQOSA-N 473.628 1.353 30 10 JDEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1749231072 CBELGAYPFKHJRJ-OKZBNKHCSA-N 465.551 1.741 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CCOC)CCC2)CC1 1749303258 GSBBOYNMDGNXIU-GOSISDBHSA-N 453.609 1.974 30 10 JDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749455057 RUEBLNIDOLBTGQ-UHFFFAOYSA-N 480.591 1.459 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCCS2(=O)=O)C1 1749698680 WDHSVOCSHYXPCU-WIYYLYMNSA-N 469.608 1.136 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(NS(=O)(=O)CC)CC1 1749730001 WOYSAFCQYFLRJN-UHFFFAOYSA-N 485.607 1.593 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1749738212 JAMWEOHVRBUXLK-AZUAARDMSA-N 473.599 1.968 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1OC 1760117473 PHAGXCOAKSYGQY-KBXCAEBGSA-N 451.524 1.265 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CCN2CCCS2(=O)=O)c1 1760125830 MSMIRBAHIDQRKP-UHFFFAOYSA-N 482.566 1.938 30 10 JDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1760133794 QBTHZRLAMTXNMK-IAGOWNOFSA-N 456.576 1.982 30 10 JDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1760152641 SSCFMMYOAYNXAS-UHFFFAOYSA-N 450.591 1.965 30 10 JDEE C#CCCCn1c(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1760160039 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C=CCNC(=O)Cn1c(N(C)C[C@@H](C)C(=O)NC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760527855 KNAYWZOVCXHMER-OAGGEKHMSA-N 463.583 1.169 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1760557783 WERLQFNVQYWCJE-DENIHFKCSA-N 478.619 1.515 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1760566597 XWJNIURQMUWSKR-SFHVURJKSA-N 473.628 1.693 30 10 JDEE CCN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](COC)OC)CC1)S(C)(=O)=O 1766521645 ICTLJHCZTLTEIO-FQEVSTJZSA-N 476.603 1.728 30 10 JDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)C[C@H]1OC 1771341674 FATIWZBVQMNUIU-YUCISJLTSA-N 459.572 1.880 30 10 JDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCNC(C)=O)=C(N)Oc2c1c(CC)nn2CC 1864326620 HRRYOESXQVBBPI-IBGZPJMESA-N 453.543 1.977 30 10 JDEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)C[C@@H]1CCS(=O)(=O)C1 1868591456 NGRZYFAYYNQXTL-FPOVZHCZSA-N 462.568 1.665 30 10 JDEE C=CCn1cc(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)c(=O)cc1CSc1nccn1C 1870259011 MWIYXDBORYAFEZ-UHFFFAOYSA-N 480.554 1.554 30 10 JDEE O=C(O)c1ccccc1/C=N/Nc1cnn([C@H]2CCS(=O)(=O)C2)c(=O)c1Br 1873527423 YUNGJUHRNCDXSV-TUVHXFJTSA-N 455.290 1.510 30 10 JDEE COc1cc(/C=N/n2c(SCCO)nnc2[C@H]2CCCO2)ccc1OCCN1CCOCC1 1874453957 WLDBKOYPVPHHSC-KMYAOZERSA-N 477.587 1.816 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)S(=O)(=O)N2CC[C@@H](C#N)C2)C1 2006288251 HETZQADNXRAPET-SFHVURJKSA-N 450.561 1.561 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2255812891 PCIKZTOMHLHEJH-QWHCGFSZSA-N 453.370 1.542 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C2)n1 2255931293 ITVUZSBPJZUHFV-CALCHBBNSA-N 490.391 1.455 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2256612802 GKVHQLUIRMISMN-ZDUSSCGKSA-N 453.370 1.432 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCCCCNC(=O)OC(C)(C)C 2267270903 ORWGHMBUFSWZEJ-UHFFFAOYSA-N 451.377 1.929 30 10 JDEE CON(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267517950 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479.408 1.915 30 10 JDEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282621608 UUHOYEVRAWZQAO-KFWWJZLASA-N 463.388 1.973 30 10 JDEE C[C@H]1[C@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCCN1C(=O)OC(C)(C)C 2282837171 BWHXTFJPUWWOKY-UONOGXRCSA-N 485.416 1.181 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@H]3CC[C@]3(NC(=O)OC(C)(C)C)C2)n1 2282838327 MTZXBMBUIYTJSD-SZNDQCEHSA-N 482.412 1.397 30 10 JDEE C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282856434 SAQCXKYFDAONTD-LSDHHAIUSA-N 484.428 1.786 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CNS(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)[C@@H]2C1 2282863684 VGWSGLJJGQZIDF-NNZMDNLPSA-N 479.408 1.772 30 10 JDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282868241 KXPUOJISLVPVGK-KGLIPLIRSA-N 485.416 1.038 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)[C@@H](O)C1 2282981890 ALGVSZQDQLIJBF-KSSFIOAISA-N 462.352 1.649 30 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498.603 1.557 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[C@@H]2COCCO2)CC1 1286478738 BXQWSCJCYPKVBH-UXHICEINSA-N 490.605 1.147 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN1CCN(CC)CC1 1286516772 LPAZRYDXDKEGFB-NNMXDRDESA-N 465.668 1.154 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CC(=O)N1CCOCC1 1286562664 HDTVJBYIRZNNTE-DYESRHJHSA-N 460.604 1.910 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286609257 YVTXILGIMHVIOH-IAGOWNOFSA-N 460.622 1.176 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1286762360 GFMCEUOJNZCQHE-NFBKMPQASA-N 460.600 1.957 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1286783828 NBCJEXHHMHOTNV-GOSISDBHSA-N 468.558 1.904 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](OCC=C)C1 1286787790 JOHVSFJOLFQNQA-LJQANCHMSA-N 452.563 1.536 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(Cc2cc(C)no2)CC1 1286791005 RNTUNYGAFUWHIP-UHFFFAOYSA-N 484.586 1.190 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCC(O)CC2)C1 1286797746 AMYTTYDQHXDNKB-IBGZPJMESA-N 455.563 1.554 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286821224 DVWBFRXMWQJPAD-SFHVURJKSA-N 490.561 1.082 30 10 JDEE C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1286970757 DZCSZGMAGSEKFV-LJQANCHMSA-N 499.641 1.384 30 10 JDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(C(N)=O)CCOCC1 1287217859 FKKUCPMBOKFZRR-INIZCTEOSA-N 453.551 1.060 30 10 JDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CCN1CC(F)(F)F 1291278720 AZGMAPJZSVIOIB-HNNXBMFYSA-N 486.520 1.846 30 10 JDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CCN1CCOC 1293540238 CNQKFHWCNUDVNY-OAQYLSRUSA-N 487.630 1.399 30 10 JDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1297653431 ICQDHAASNVSQMM-AEFFLSMTSA-N 494.643 1.358 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1cccc(OC)c1 1300307085 BMJAKBYFKMGMRD-ABSDTBQOSA-N 477.587 1.545 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1300479660 RERNNQOZFFKMEA-MRXNPFEDSA-N 485.595 1.674 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1300488048 OHNREQJEDFAMLU-MSOLQXFVSA-N 492.623 1.548 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1300494095 YPYYUKNSFAZALN-ICSRJNTNSA-N 457.604 1.482 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(NC(C)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1300498906 NVNJZYLACZJBFW-HXUWFJFHSA-N 479.566 1.292 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCN1CCOCC1(C)C)[C@H]1CCS(=O)(=O)C1 1300502468 VHFGKXPYFICPIV-IBGZPJMESA-N 492.671 1.371 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1300505103 XQWRDHOLSQWYPH-SJORKVTESA-N 494.618 1.113 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300505843 JOCIWNRKZAQFIL-PKOBYXMFSA-N 452.577 1.342 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC(=O)N(CCOC)C1 1300554084 ZXGQZZJRUPMPKQ-SLFFLAALSA-N 484.601 1.617 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(F)cn2)n1 1300676341 MSGNKSJUALONKJ-UHFFFAOYSA-N 466.521 1.579 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCC(=O)N2)CC1 1300731014 KMNWDYDAAFBBMS-GOSISDBHSA-N 466.542 1.110 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1300843174 CRJLKHKRVQOHNO-KGLIPLIRSA-N 453.341 1.553 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCCc2ccccc2)CC1 1301123373 BVNBYHQCENCXES-HXUWFJFHSA-N 457.600 1.942 30 10 JDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CC(=O)N(CCOC)C1 1301287462 SQLILJNHPDTUHP-INIZCTEOSA-N 461.592 1.355 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccccc2CO)CC1 1301479432 ZYDVBUQCRFHZPU-INIZCTEOSA-N 476.603 1.067 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1301489943 HSLWZOSRNWUYCA-SFHVURJKSA-N 479.006 1.905 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1301557218 NPCOVUVCIRBTMG-NJYVYQBISA-N 460.623 1.896 30 10 JDEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC(=O)N1CCOCC1 1305520018 ARHWUBABMIJCGS-GOSISDBHSA-N 452.563 1.634 30 10 JDEE CCN(CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1313717579 FKANZMXSXONCIS-IBGZPJMESA-N 451.579 1.554 30 10 JDEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)C1 1316335544 FFXOQHPXHBLJHS-IBGZPJMESA-N 456.572 1.746 30 10 JDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc2c(c1)C(=O)NCC2)[C@H]1CCS(=O)(=O)C1 1358957613 XDKZOIIDNLUAHB-LPHOPBHVSA-N 455.584 1.753 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1358962063 JQMFXOTZYKOUDB-QGZVFWFLSA-N 484.582 1.244 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1358967608 NWYUNOJGPWOYAE-SFHVURJKSA-N 494.017 1.909 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CCS(C)(=O)=O 1359015589 YLMHOXXQORDVMN-UHFFFAOYSA-N 456.503 1.749 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Nc2cnn(C)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1359105397 NWMRIZCYNIXIQY-OIISXLGYSA-N 451.553 1.069 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSCCS1 1359272133 LRJMQZRGVOFTOR-HOTGVXAUSA-N 459.663 1.638 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(C(C)=O)CC1 1359272178 MVHPMMUSUQYXKI-IBGZPJMESA-N 466.608 1.048 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1Cc2ccccc2O1 1359272591 XDKPCKFYZCTBKS-UYAOXDASSA-N 459.572 1.793 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C)C1 1359301478 ZIBRHHSLEIOJBY-HZPDHXFCSA-N 450.540 1.114 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(S(C)(=O)=O)CCCC2)C1 1359310960 MNHQPTZPIOPFGX-KRWDZBQOSA-N 451.593 1.653 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1359334554 JRZLTXNZDKSHLH-GOSISDBHSA-N 476.607 1.051 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](N3CCN(C(C)C)CC3)C2)nnc1C(C)(C)C 1359335955 ZTEYKCYBJVLBET-IBGZPJMESA-N 452.669 1.781 30 10 JDEE CC(C)(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359539917 AGQDMUHKLFBSIK-DEOSSOPVSA-N 486.642 1.610 30 10 JDEE N#Cc1cc(F)c(S(=O)(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)cc1Br 1463842524 HFUFLURKTLMXHO-TZMCWYRMSA-N 453.311 1.036 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(Cl)c1 1507538674 OQGAYAUVMMUSIH-CXAGYDPISA-N 455.943 1.910 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC=CO2)c1 1507547970 OISDYCDNHPFIRN-QFBILLFUSA-N 472.571 1.637 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCOC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1507626771 HFQWOWZXQKYXMR-RTBURBONSA-N 462.572 1.916 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507632302 YTODBHQYVPMKFY-IBGZPJMESA-N 473.603 1.144 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCNC(=O)c1cc[nH]n1 1507646821 YSDIAFYMJOXTFE-UHFFFAOYSA-N 482.342 1.942 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)Oc2cccc(C)c2)CC1 1507738469 PMOUMHOLCZBVRE-RXVVDRJESA-N 464.570 1.971 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507741420 SFOSEUUPQIKEPZ-CTNGQTDRSA-N 487.674 1.259 30 10 JDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507749295 XSAYQCDSFRDITA-LJQANCHMSA-N 463.567 1.950 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2cc(C)on2)CC1 1507759708 MFMLUNARQWSGLY-ICSRJNTNSA-N 460.604 1.987 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1507844569 LVDXAIYYROINKX-ZWKOTPCHSA-N 464.592 1.923 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1508086158 LZLOJEKSUMYMNT-HSZRJFAPSA-N 469.521 1.125 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1508140128 KTXMKZPEJVQLON-CALCHBBNSA-N 489.602 1.639 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1508146642 AEUABCYNPRPXKH-KRWDZBQOSA-N 468.649 1.438 30 10 JDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1cccc(OCC(N)=O)c1 1509214533 BPBDVZTWBYMFRF-SFHVURJKSA-N 489.584 1.766 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2ccnn2)CC1 1509777635 FMMHLUVAXMWWEC-UHFFFAOYSA-N 483.602 1.653 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 1538572107 NTGVOHGKMFXOLT-PXNSSMCTSA-N 450.557 1.971 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1538973059 KROLPFAWKFAPSI-UGSOOPFHSA-N 453.362 1.715 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC2(S(C)(=O)=O)CCC2)c1 1539046295 QDMVDYROUVVGAO-UHFFFAOYSA-N 459.572 1.838 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539200504 JEMCNZMCJHUVHI-QZTJIDSGSA-N 490.655 1.505 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N1CCCCC1 1539264989 BJDPCIZBTGSTLQ-UHFFFAOYSA-N 460.586 1.928 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1SCCc2ccccc21 1539266868 UDFXROXWDLQLCI-LEWJYISDSA-N 485.635 1.714 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)[C@@H](C)CCC)CC1 1539428917 YAOLAKDTRXUUFT-SFHVURJKSA-N 452.563 1.233 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C2CC2)N(C)C)CC1 1539488133 IFRHHDFGDQDQKV-NRFANRHFSA-N 452.607 1.446 30 10 JDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)CC1 1539744628 RQEKTBWBCBDYDT-UHFFFAOYSA-N 467.530 1.673 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C(=O)OC)C2)cc1 1540876882 FEJGCXRWPROKDK-SJLPKXTDSA-N 477.587 1.891 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)OCCO3)C1 1540882707 NFVRZRWTLUNSSW-WBVHZDCISA-N 463.560 1.489 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(Cl)ccn1 1540904061 JVCYATMJECDRFC-CQSZACIVSA-N 474.008 1.466 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1588069435 NYPCKPXBCHQEOI-KRWDZBQOSA-N 460.556 1.407 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCN(CC)CC2)nc1 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30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1705567436 WHJKMRYFSUWZHI-JKSUJKDBSA-N 450.590 1.201 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1705571072 WMOASBQFKFZOME-OAQYLSRUSA-N 467.599 1.451 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1705571870 JZCKBCJSFGDIPT-NTLWEQJWSA-N 454.593 1.036 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1COCCO1 1705628062 WXGPHEFBRNXYNK-RBUKOAKNSA-N 463.579 1.894 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=C)c2ccccc2)CC1 1705645092 KVAQFEOYFWKETG-GOSISDBHSA-N 470.599 1.568 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C)N2CCOCC2)CC1 1705650255 OITGROWLQOCIKY-OAQYLSRUSA-N 464.614 1.864 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705664416 OMFUPPIVRDSBAQ-IBGZPJMESA-N 479.676 1.614 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705694896 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CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1722840190 CREJORAWLUDYOZ-UHFFFAOYSA-N 474.587 1.516 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](C)Oc1ccc(F)cc1 1723816153 DZCFWDHIRHHHBI-TYILLQQXSA-N 454.503 1.937 30 10 JDEE CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(F)cn2)CC1 1731009898 DHRNPMPIPMWFRC-UHFFFAOYSA-N 455.519 1.871 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CCN2CCCS2(=O)=O)c1 1740564342 KDQUPMSSZUXIHJ-UHFFFAOYSA-N 472.615 1.958 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCS(=O)(=O)N1CCSCC1 1740635124 LGPODBBANGQFTC-UHFFFAOYSA-N 489.623 1.414 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCc3ccccc32)CC1 1740689854 DTLHNBMENUJDAY-AZUAARDMSA-N 456.616 1.764 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccccc2Cl)CC1 1740690858 OYXLWHWTPVFQSM-MRXNPFEDSA-N 450.996 1.540 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740723745 RYLOAIROPQASLT-YADHBBJMSA-N 492.001 1.403 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740744392 AFPACMYBERXJDP-XQQFMLRXSA-N 460.354 1.024 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCCO[C@@H](C)C2)CC1 1740839245 HXVBWZYGQOMRTB-FPOVZHCZSA-N 496.678 1.514 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 1740947058 PEEUARMHFPBTJW-HXUWFJFHSA-N 471.587 1.385 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740985579 JCXVOPBXBVWQKJ-KRWDZBQOSA-N 453.609 1.468 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1740993630 BBJFOIAWLRPPGE-OAQYLSRUSA-N 454.600 1.841 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740995149 BMZMNTKUZSCNLF-SFHVURJKSA-N 483.598 1.213 30 10 JDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1748698129 ROGRJAVMWXCHRE-IRLDBZIGSA-N 469.634 1.697 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2ccsc2)CC1 1748718402 QMLOQAIROBQIDK-FQEVSTJZSA-N 492.671 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C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1286789473 GWJIWQZRBWJCIU-HOTGVXAUSA-N 458.588 1.910 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cscc2C)C1 1286810905 XJCWUSMZVIWNQV-ZWKOTPCHSA-N 467.617 1.811 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)N2CCSCC2)C1 1286810916 XTHNLYQTBCNTCX-MSOLQXFVSA-N 471.649 1.332 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1286823066 KQRCXKQRYTWMCS-YIOZNXECSA-N 459.638 1.580 30 10 JDEE CC(=O)N1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)CC1 1286850438 FTAIGHGXNNNSQZ-INIZCTEOSA-N 458.588 1.945 30 10 JDEE CN(C)c1cccnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1298066327 DPRQVZVYKWNOJO-UHFFFAOYSA-N 490.568 1.709 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300488601 FLUUIVFVZNKOIQ-QUCCMNQESA-N 473.599 1.301 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1300719793 QBXQNXUNSMYPRI-RTBURBONSA-N 452.607 1.765 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1300763109 NEOBPDSIQLOWLN-AABGKKOBSA-N 497.687 1.620 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1300764610 YMRGWTIYIHVVIE-INIZCTEOSA-N 481.047 1.922 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300879348 CRUJYCVUZSZEHN-KNQAVFIVSA-N 453.591 1.968 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2cnccn2)CC1 1301436199 UDVCXDXDWSBGBE-UHFFFAOYSA-N 454.560 1.498 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1301458197 PEUAFUVVMFRMON-ROUUACIJSA-N 498.650 1.880 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1301485291 UOKGCAMSQXESJL-NSHDSACASA-N 476.422 1.941 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)cc1 1301525779 JZRFUIWOZZEBJF-ICSRJNTNSA-N 494.639 1.807 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1301577218 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C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1359037269 BYJZYMJFFDQJQT-UHFFFAOYSA-N 461.545 1.897 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1359037540 NMZCZNNWEFXRII-UHFFFAOYSA-N 485.639 1.368 30 10 JDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1359075778 FQSKDKLPOLIPNJ-UHFFFAOYSA-N 466.384 1.761 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1359100829 GVAPVHXMLBZXJQ-DENIHFKCSA-N 475.615 1.940 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359127835 BRGQIVBIOCCLAW-IBGZPJMESA-N 477.587 1.283 30 10 JDEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359184495 QPHKJTVRJRNYGD-QGZVFWFLSA-N 468.558 1.712 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1359291817 CERZIZHXGNBIOQ-MOPGFXCFSA-N 481.667 1.283 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1359304125 MSSXSBRUJLXSBE-UHFFFAOYSA-N 495.628 1.521 30 10 JDEE C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)nn1 1478855800 XQTDEZXNUCSNNQ-UHFFFAOYSA-N 454.940 1.342 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(C)nn(C)c2C)c1 1507547001 IYLGICYAXGWFEY-MRXNPFEDSA-N 498.613 1.343 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1507623037 OGCPPDXJXFXDSW-SQNIBIBYSA-N 472.571 1.103 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1507629903 QSFDLJCRDQYOBC-DYESRHJHSA-N 462.645 1.348 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1507631889 GVPVAOLJFPFWRG-UXHICEINSA-N 476.624 1.472 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1CCN(CCN(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1507632382 ZWHKKHBHCIQJCA-HXUWFJFHSA-N 473.647 1.174 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CC(C)(C)N1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1507634530 KXCWIMBDYVRIBB-IBGZPJMESA-N 463.648 1.747 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1507639991 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1539058849 JGANVVMULWRARD-SFHVURJKSA-N 483.602 1.490 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H](C(F)F)N1CCOCC1 1539250505 PLRXKBAWPIIWNI-FQEVSTJZSA-N 481.511 1.350 30 10 JDEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1539278993 PVKXRKJIQCLFGU-FQEVSTJZSA-N 465.000 1.846 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCC1 1539416835 SYVLXYTUWWBBBO-GOSISDBHSA-N 463.579 1.978 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[C@@H]2C)CC1 1539468791 ITQXEJULZYCKJD-BQFCYCMXSA-N 450.609 1.290 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1539517195 JSBCIPWZNXUPCL-HZPDHXFCSA-N 451.618 1.042 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1540073982 VWRDRJHLIMGSBT-ZCNNSNEGSA-N 468.668 1.991 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C2CCOCC2)CC1 1540867133 LXWIQRNKKHRVTQ-UHFFFAOYSA-N 470.574 1.566 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1540902690 OKFLTZPERKATET-IRXDYDNUSA-N 460.622 1.176 30 10 JDEE N#Cc1c(Br)cccc1OCC(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 1542121725 BQYPCZOFOGIJCD-UHFFFAOYSA-N 451.302 1.904 30 10 JDEE CCCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1547251666 DDDJBHRPKWZOGY-QGZVFWFLSA-N 475.557 1.857 30 10 JDEE CNC(=O)[C@H]1CN(C(=O)Cn2cnnn2)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375431 LWAFVZMVGNTPRW-QGZVFWFLSA-N 476.463 1.055 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(SC)CCN(C)CC2)CCO1 1554443518 GFTQYGWTSKNYGK-LJQANCHMSA-N 469.615 1.595 30 10 JDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)C1 1555798564 GSPPIDGZUFRVCL-HXUWFJFHSA-N 486.598 1.801 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OCCN(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1588053748 HXOIQSWGQFYWMC-SFTDATJTSA-N 487.626 1.397 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(OCCN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1588055495 WMSPETBWKLHKEU-SFTDATJTSA-N 487.626 1.397 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](OCC)C(C)C)[C@H]1CCS(=O)(=O)C1 1588055717 YMGWPCPXMOZWNM-QYZOEREBSA-N 486.660 1.258 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@@H](COC)OC)CC1 1588805877 CRACZMBNDLHVLW-SFHVURJKSA-N 465.558 1.092 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCO[C@H]2CCCC[C@H]2C)CC1 1588961780 LUHUZHBJKJHUFV-CTNGQTDRSA-N 470.618 1.962 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1CCN(Cc2ccccc2)C1 1595465979 BZRHSBLREBQLGZ-NRFANRHFSA-N 465.602 1.775 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1595466787 NCFCDBMDHCIWSQ-WJONJSRFSA-N 455.519 1.000 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1595477392 UDYHTPVWKQBFPY-QGZVFWFLSA-N 469.608 1.242 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1595569634 LLWVMQBJEOJVAS-HXUWFJFHSA-N 466.586 1.965 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCn2c(O)nc3ccccc32)C1 1595674479 QGJSSVAPVCSTQS-HOTGVXAUSA-N 475.575 1.425 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1595797399 FUQNFMDDGOTIGW-UHFFFAOYSA-N 478.663 1.671 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCc2cc(OC)c(OC)cc2C1 1595824072 WLMPSVBKUITRBF-UHFFFAOYSA-N 489.598 1.581 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1595879012 UFUAQLIJSNMOMS-INIZCTEOSA-N 458.592 1.582 30 10 JDEE CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1603144838 DVBCICPCJZZORB-TVFCKZIOSA-N 454.597 1.410 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)c1 1618715985 ANMQIIPCEQQWKI-MRXNPFEDSA-N 450.542 1.023 30 10 JDEE C=C(C)Cn1c(SCC(=O)N2CCC[C@H](CS(=O)(=O)NC)C2)nnc1-c1ccco1 1634822627 HWGDIZWZQRGTQA-HNNXBMFYSA-N 453.590 1.994 30 10 JDEE C#CCn1ccc(CN(CC)C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)n1 1682096298 SYUXXLGUKAUVTF-FQEVSTJZSA-N 455.534 1.905 30 10 JDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1689926006 FRVAZDNNCWHEHH-UHFFFAOYSA-N 476.585 1.998 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(-n2cccn2)cc1 1689966022 ITHXWOALHMXRRV-FQEVSTJZSA-N 469.571 1.109 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1689983544 CVANMOOTJMEFJC-LJQANCHMSA-N 471.583 1.639 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1689998519 OIDQAWZIDUAXHY-WCIYBSDLSA-N 478.571 1.130 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)Oc2ccccc2C)CC1 1690111965 NIHPFFMUOPZWSG-RTBURBONSA-N 460.604 1.419 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1690122216 KSBRMHWBMLNNPI-LEWJYISDSA-N 451.575 1.296 30 10 JDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCn2cc(Br)cn2)CC1 1690129507 ZJCLTBQXHXQQGA-UHFFFAOYSA-N 455.364 1.678 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1690132050 FMMUQOQYFREFNO-QFIPXVFZSA-N 499.566 1.840 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccccc2OC)CC1 1690137523 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1690717711 NXUBPXTZQTYPNG-LBPRGKRZSA-N 471.381 1.303 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](COc2ccccc2)C1 1690723275 MJJFOFPRBXFVPV-IEBWSBKVSA-N 459.572 1.735 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1690724029 GNPRLFHSDQDBDZ-MJGOQNOKSA-N 467.636 1.760 30 10 JDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1695502270 CEWYBFQJDLGGAU-LJQANCHMSA-N 453.547 1.512 30 10 JDEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1695587973 BLXLCLRSQJHYHB-RXFWQSSRSA-N 495.628 1.737 30 10 JDEE CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CCN2CCCS2(=O)=O)c2ccccc2c1=O 1695898643 BCHXRSXWUCXDPL-MRXNPFEDSA-N 484.586 1.306 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(CC2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1696490537 GPHFFTDTXAKGFO-UHFFFAOYSA-N 489.650 1.142 30 10 JDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)C[C@@H]1C 1698085063 FJYUKNKLKVHYKF-KRWDZBQOSA-N 463.546 1.127 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CC(=O)N(CCOC)C1 1705478670 FKRUFYJJYZLEFT-SJLPKXTDSA-N 487.630 1.499 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)NCC#C)CC1 1705526375 FAFSCXNUDIOEBD-UHFFFAOYSA-N 453.568 1.728 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(C(N)=O)CCOCC1 1705588555 BHGLGONQNGPSQI-UHFFFAOYSA-N 482.972 1.607 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2ccccc12 1705612637 LARPIKBOBQYCGO-FQEVSTJZSA-N 456.572 1.795 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccnc(OC(F)F)c2)CC1 1705643506 IMLKFKPSAFSKRD-UHFFFAOYSA-N 487.511 1.525 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1705652298 VBNRWENPURJZBH-INIZCTEOSA-N 496.684 1.587 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(CCC)C(=O)C1 1705698153 QEGFIPRHHDWTDR-LMMKCTJWSA-N 468.624 1.318 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1705930336 LCIPPYIIRPUSBE-WOJBJXKFSA-N 480.679 1.819 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1705934797 XPVLRXFBWQOTJK-ATZDWAIDSA-N 477.562 1.936 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCN(Cc2cccs2)CC1 1706888801 AMOPAAJWBVIQMQ-AEFFLSMTSA-N 493.659 1.591 30 10 JDEE CCc1cnc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)s1 1708969808 BIKYMYUOVXKLCK-UKRRQHHQSA-N 453.594 1.274 30 10 JDEE CCS(=O)(=O)NCCn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1710902043 GEQJBPFRTZSXHO-UHFFFAOYSA-N 494.625 1.397 30 10 JDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1712882287 ADMHSYADXODISD-BZNIZROVSA-N 488.389 1.047 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1722365051 BTUNUERKZZZVRS-GQIGUUNPSA-N 450.586 1.378 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1722413773 RJABFSZHMKOBRD-IEBWSBKVSA-N 458.588 1.308 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCc2ccccc2C1 1722414148 WJWIYNDSFIHOAK-SIKLNZKXSA-N 486.642 1.517 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCOC1 1722429673 UZJJUFDGDXLMAS-QHCPKHFHSA-N 463.579 1.630 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(CCOCC)CCC2)CC1 1722447132 FSZULJVVVTWDRL-LJQANCHMSA-N 456.591 1.792 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CC)CCOCC2)CC1 1722447578 MOISCVLCJVHUPL-IBGZPJMESA-N 477.631 1.353 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1722448082 REABOBZZMVMUCU-PMACEKPBSA-N 494.587 1.842 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H](OC)C1 1722509095 NKKHPJHPEYKFSH-MDMHHNQBSA-N 483.635 1.453 30 10 JDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1722535105 YYCMMOIPCWNWFJ-UHFFFAOYSA-N 481.557 1.080 30 10 JDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)c1ccccc1 1722539156 HRTQKQFJVSCGPU-IRXDYDNUSA-N 462.576 1.879 30 10 JDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1722607774 IURWWDRZEVMTOY-UHFFFAOYSA-N 463.564 1.120 30 10 JDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN(C)S(=O)(=O)CC 1722640031 HZXQUEUJNKKBNB-QGZVFWFLSA-N 486.639 1.880 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CCC)C(=O)OC(C)(C)C 1722640681 RAPTVBCRLJXXDD-KRWDZBQOSA-N 486.639 1.880 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1722698914 OYQYUBOIDJRILL-QGZVFWFLSA-N 459.620 1.815 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1722700236 BXFNBEKLTZIWSF-IBGZPJMESA-N 452.563 1.148 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1722725984 WDSQDHDNVPVKHG-MRXNPFEDSA-N 455.606 1.288 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCN1S(C)(=O)=O 1722866323 AQBFMPHILGZXLF-GPMSIDNRSA-N 460.560 1.810 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1740626542 VLQNYUFRVLSXAX-QGZVFWFLSA-N 465.526 1.185 30 10 JDEE 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1359090128 VFXHKACZLIFAOL-PZJWPPBQSA-N 498.632 1.777 30 10 JDEE C=C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCCS(C)(=O)=O)CC1 1359165672 UHOYVPVSFHAWRO-UHFFFAOYSA-N 475.619 1.670 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)NCc2ccccc2)CC1 1359173932 RVUQGWFYKXCBBL-QGZVFWFLSA-N 460.604 1.997 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359277032 AHGGZVKACLZNLD-RXVVDRJESA-N 450.561 1.897 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1359293888 CKDOGESXYRVERV-UHFFFAOYSA-N 456.547 1.712 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1359294591 YKUCGZAURGDOFU-GOSISDBHSA-N 495.627 1.054 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 1359295370 ZHOGRKNMJBPPHI-UHFFFAOYSA-N 453.510 1.712 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(CC(=O)NCc3ccccc3)CC2)nnc1C(C)(C)C 1359305519 FLVNZNJIWWGAGV-UHFFFAOYSA-N 453.591 1.316 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1359306080 VKBGNCQMSMAPFE-YOUFYPILSA-N 460.623 1.656 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1359321530 HQJNFPXAVLAZBH-QWFCFKBJSA-N 491.589 1.445 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(C(=O)NCCCN4CCCC4)CC3)cc2C1=O 1443477879 KMEJCXURKBVLKC-UHFFFAOYSA-N 452.555 1.923 30 10 JDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 1464615383 CSIJYVYYSGBEAE-UHFFFAOYSA-N 453.630 1.888 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1502435559 HCPURBSMVVPOQS-FPOVZHCZSA-N 481.601 1.659 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cnn(C)c1 1503461417 ARKPOJYTMGGXJE-OAQYLSRUSA-N 498.613 1.485 30 10 JDEE COCC[C@@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1504753008 CRNMIRXVFXUREB-AUSIDOKSSA-N 455.563 1.900 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507633658 FYODWVDKSSFDAX-SFHVURJKSA-N 458.588 1.053 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](C)Oc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1507639077 JDMDMNBWXGNMQR-WOJBJXKFSA-N 485.610 1.803 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNC(=O)C1CC1 1507648566 PBJVZJFQBOONRK-UHFFFAOYSA-N 457.538 1.835 30 10 JDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1507677725 HXSDEDBPYRRGCI-PKOBYXMFSA-N 464.636 1.860 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(=O)NCC=C)CC1 1507731660 NZBXXQIZYZWLAN-LJQANCHMSA-N 471.606 1.450 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCn2ccnc2C)CC1 1507739358 APRFJICMCDLTGM-UHFFFAOYSA-N 494.625 1.831 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCN1CCOC(C)(C)C1 1507808920 VRGVUCUOCXQAGI-OTWHNJEPSA-N 484.667 1.417 30 10 JDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508098015 MXYJFLCIWMAXTE-OUVAMTEUSA-N 463.579 1.394 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1508164034 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XNQZEZHBGSUKLT-HXUWFJFHSA-N 471.649 1.157 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)C1CCCCC1 1540071277 DIIWXSVIXFUFPW-LJQANCHMSA-N 454.641 1.888 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1540867011 HVDDJHCZGYUBGE-RXVVDRJESA-N 484.601 1.812 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1540874383 FAAOSYAJBOPCRQ-QFIPXVFZSA-N 495.584 1.543 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](SC)C1 1540897512 KZMUPOGCPZZMPD-CABCVRRESA-N 465.667 1.211 30 10 JDEE CC(=O)NC1CCC(N(C)c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1541026922 BTBALIPCJKKMJB-UHFFFAOYSA-N 463.546 1.789 30 10 JDEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1545533078 BPLXTOOAHRJTHK-SJLPKXTDSA-N 489.650 1.456 30 10 JDEE C=CCn1c(-c2ccccc2Cl)nn([C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2NC(C)=O)c1=S 1565537695 DHIBROSIJCSNEO-DNCCFGNJSA-N 454.936 1.037 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC[C@@H]1NC(=O)NC1=O 1587640990 WGAJRHKYFNZONO-OWCLPIDISA-N 475.550 1.033 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@@]2(O)CCO[C@@H]2C)c1 1587697799 XYJLXLPWTAPKKJ-CJAUYULYSA-N 460.538 1.860 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1588034800 MAIZOZMTBFKWSX-LEWJYISDSA-N 472.611 1.988 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588041455 XGNYEZJPPXKUEU-TVTNDZMWSA-N 460.556 1.120 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1(OCCOC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1588058698 APZUKNLJFLJCJN-IBGZPJMESA-N 482.647 1.706 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1588060103 ZMMPNBNDAPXPPM-GOTSBHOMSA-N 485.654 1.651 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1588069146 IDIVJCUUMJFFCN-HXUWFJFHSA-N 467.599 1.740 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O 1588550638 WRRMOOBLJLSXQM-AZUAARDMSA-N 494.614 1.926 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1588946939 ITTGTEULZLGUDD-OAQYLSRUSA-N 478.645 1.256 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2cccc(C)n2)CC1 1588968297 HKPHPAAAIIGOED-UNMCSNQZSA-N 466.586 1.914 30 10 JDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1593691177 SZQDQBXZXALBJL-QGZVFWFLSA-N 453.551 1.386 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1594498845 YAPPSKJMLYBLCX-KKSFZXQISA-N 482.607 1.244 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1594498915 YQIVGLSLQRBWGG-GOSISDBHSA-N 466.652 1.429 30 10 JDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(NC(C)=O)CC1 1594807678 WJZWWCKLVWFFKA-UHFFFAOYSA-N 465.558 1.890 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1595477653 XBTIAYWMNOKQQN-ZBFHGGJFSA-N 467.979 1.997 30 10 JDEE C=CCNC(=O)Cn1c(N(C)C2CCN(C(=O)c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1595593783 IVJANDWPPWZVSV-SANMLTNESA-N 496.612 1.973 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1595753035 FMMMIFYTGRWLPU-UHFFFAOYSA-N 475.571 1.523 30 10 JDEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCSCCCO)C[C@@H]2C)CC1 1596267831 MXKQKFICWDVXON-CVDCTZTESA-N 497.669 1.921 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1C 1619899601 CKXWMTOBPLXGME-AHRSYUTCSA-N 474.587 1.717 30 10 JDEE C=CCN1CC[C@H](N(C)C(=O)Nc2cc(Br)cnc2N2CCN(C)CC2)C1=O 1661870186 OTJHGYUPOVZGBX-INIZCTEOSA-N 451.369 1.847 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CCc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1689979587 DHQGVDHXFYKXQY-HXUWFJFHSA-N 457.600 1.973 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(C(=O)NCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1689984701 SSZUMINYTCHHIH-QGZVFWFLSA-N 491.017 1.927 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689984712 TZOTVLPODJUBSC-FQEVSTJZSA-N 478.018 1.948 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1689988303 MJPUHEBGYWGQHZ-DOTOQJQBSA-N 461.519 1.052 30 10 JDEE C#CCN(c1nnc(CC)n1Cc1ccc(C(=O)N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 1689993001 SUIOKTVISYRNEC-FQEVSTJZSA-N 457.600 1.998 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1690006733 YPONGMZHUPZOEH-WMZHIEFXSA-N 454.552 1.760 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1690034507 JZXCKBZUTSIGFX-PPMXAFMFSA-N 466.542 1.308 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC[C@@H]1NC(=O)NC1=O 1690035879 NBVQJOHGRBIWFT-SFHVURJKSA-N 456.510 1.786 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCCC1=O 1690077135 JKZVMOJJOLNFIB-FQEVSTJZSA-N 455.584 1.810 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)OC 1690091156 KNVZSARJWOLRRV-VQIMIIECSA-N 465.551 1.425 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1690132564 SRMGERDRDGZVEM-RBBKRZOGSA-N 450.543 1.535 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1690485109 LVUSYIPNNGZSGX-QGZVFWFLSA-N 461.592 1.580 30 10 JDEE C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1690644331 FBKBZRLEAHVBNX-PXNSSMCTSA-N 477.587 1.853 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1690714655 QVFWLEDJCZNPLM-UYAOXDASSA-N 491.614 1.988 30 10 JDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCN2CCCO)c1 1698293406 CSMSYIUELFQCKO-PGRDOPGGSA-N 476.578 1.637 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1705532950 SPSXIWOMPOLTFQ-MRXNPFEDSA-N 472.571 1.135 30 10 JDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1705552964 QYZUYQPFFSOFQO-INIZCTEOSA-N 451.593 1.897 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1705567877 BITHBKVNSOBLKZ-GBXCKJPGSA-N 487.626 1.167 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1705569709 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C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1705903499 XBPDHYRKYJYKOH-MSOLQXFVSA-N 487.605 1.410 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCN(CC)C(=O)C2)cc1 1705910337 ZFFGWKAXZZIUCM-KRWDZBQOSA-N 476.603 1.560 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(CC2CCOCC2)CC1 1705934080 AMXZRQWRNKKUMK-UHFFFAOYSA-N 474.631 1.798 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN3CCCC[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1705939405 WWNBEKLUJBVYKP-WIYYLYMNSA-N 453.609 1.206 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC2)C1 1710349561 ARAQHTSNOJXTKJ-HXUWFJFHSA-N 473.603 1.343 30 10 JDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCCC2)C1 1712694903 COBFOVSHMIYYDY-HXUWFJFHSA-N 458.588 1.838 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1722301612 MMNKGEXBDHLWLG-YADHBBJMSA-N 484.670 1.926 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1722332262 HIHRBJLMJDILAL-MOPGFXCFSA-N 480.635 1.157 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1722369002 XTUCUNZBQHSWCK-KBPBESRZSA-N 489.044 1.570 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CN(Cc3ccccc3)CCO2)CC1 1722429323 KCQSOJJBSWYBOK-XMMPIXPASA-N 493.656 1.853 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](OC)C2CC2)CC1 1722443986 RTKMHOIEEYAUHD-RDPSFJRHSA-N 459.591 1.710 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCC(=O)N2)CC1 1722444964 QJNZAYLPEKSVAU-FUHWJXTLSA-N 468.533 1.802 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1722725504 PJHJXXOVKSZDCJ-INIZCTEOSA-N 484.623 1.463 30 10 JDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCSCC2)C1 1729777121 AYQJYNNYHFEDPE-GOSISDBHSA-N 456.572 1.777 30 10 JDEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCN(C(C)=O)C2)cc(OC)c1OC 1729971897 AEIXNWQMBWCORK-PKOBYXMFSA-N 484.557 1.958 30 10 JDEE CS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1731009135 GIYPEGKPUGTWLH-UHFFFAOYSA-N 469.546 1.646 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)N2CCCCC2)c1 1740561865 DKUNMNBQXWNBRX-FQEVSTJZSA-N 477.569 1.688 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](CC)N1CCc2ccccc2C1 1740632322 ZUCBZJCHXZGBJE-DENIHFKCSA-N 468.627 1.798 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1740700099 FZCFGCCDULAFFM-HXUWFJFHSA-N 486.642 1.456 30 10 JDEE C=C(Br)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)COC)CC1 1740739827 BIANPCUIJPUAHR-UHFFFAOYSA-N 478.347 1.920 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1740777702 ZVIURKYOSPNDDS-SFHVURJKSA-N 453.657 1.459 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1740786842 QGCPQSXWEQDTQF-SFHVURJKSA-N 452.519 1.830 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nnc(C)s2)CC1 1740840228 UTXJZFAEGIDGOB-OAHLLOKOSA-N 453.594 1.222 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1740988435 DTCCWLZQYBSLOM-APWZRJJASA-N 450.561 1.795 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740989513 PERBKMZFOKBMQU-UHFFFAOYSA-N 495.609 1.675 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1740992246 NISJABOHTSQDBC-IXDOHACOSA-N 474.649 1.421 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](N3CCCC3=O)C2)nnc1[C@]1(OCC)CCOC1 1740994865 XOYISEHYHBXRGO-GCJKJVERSA-N 481.619 1.122 30 10 JDEE C=CCSCCn1c(C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1740996051 DZSDKEQOSUCJSK-PMPSAXMXSA-N 457.622 1.632 30 10 JDEE CC(C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1741689425 GSKFFPLCTYPYKU-SFHVURJKSA-N 468.537 1.481 30 10 JDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1747529195 AOKDQCUFMAHHDT-UHFFFAOYSA-N 473.603 1.545 30 10 JDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)c1 1748578513 HSHQBYRJKJADEE-OALUTQOASA-N 461.544 1.658 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1748695158 YXNANEFVLBAYRE-VHXPQNKSSA-N 473.537 1.813 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1748825468 ZLHYJRGANZKXAQ-IPMKNSEASA-N 493.630 1.666 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@@](C)=O)CC1 1748930042 WMEFGZUXUNZSOV-AZYRPFHASA-N 451.593 1.957 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1749119919 YLCLBOIOZHLWCD-KURKYZTESA-N 497.666 1.500 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)CC1 1749228690 BQUZWYYJMOAFIU-SFHVURJKSA-N 453.609 1.074 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCn2cc([C@H]3CCOC3)cn2)CC1 1749328951 FCTCZEBGVNLLCH-AEFFLSMTSA-N 463.608 1.691 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1749663609 KMLRHLKWNYLDQY-HNNXBMFYSA-N 457.560 1.582 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1749669945 PKJSIMIQYWELSD-GHTZIAJQSA-N 497.600 1.130 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1760175678 OZMOWCISMMVIPT-SFHVURJKSA-N 494.618 1.248 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760186266 LNFWMJBYIKUASW-RBUKOAKNSA-N 484.644 1.014 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1760188012 YWESKAOAEVUODM-MOPGFXCFSA-N 492.623 1.254 30 10 JDEE C#CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1760189461 PIJVYMRGMGAAEW-KEGWNNHHSA-N 476.628 1.831 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1760190423 WHUJPIVKEZVQEL-LJQANCHMSA-N 465.539 1.369 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCc2ccccc2C1 1760250408 ZDKGEYQHIRCINH-OAQYLSRUSA-N 457.600 1.325 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC2CCCCC2)CC1 1760268873 QQINEKUEMWEJLC-FQEVSTJZSA-N 456.591 1.934 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1760282222 XUDOHFQCGIKDSI-VAMGGRTRSA-N 493.630 1.919 30 10 JDEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCCS(C)(=O)=O 1760302577 IMUUEQSFBJOFKS-UHFFFAOYSA-N 481.380 1.700 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1760522002 JXFIKLYCLKXXPP-QGZVFWFLSA-N 458.950 1.586 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccc2C)C1 1760542883 LBIHDMFRRBXLJL-LEWJYISDSA-N 475.615 1.943 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1760553559 FJOOOFZTOPNWGL-QGZVFWFLSA-N 496.634 1.571 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1760557785 WERLQFNVQYWCJE-SIKLNZKXSA-N 478.619 1.515 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1760565793 FHLRPRIKXRIPJO-IAGOWNOFSA-N 455.650 1.793 30 10 JDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCS(=O)(=O)c1ccccc1 1762610610 DAPPFKGUQUPDEL-MRXNPFEDSA-N 452.544 1.437 30 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C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1508072723 GDNJJHZCEHOODM-GOSISDBHSA-N 492.588 1.354 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(Cn2cncn2)CC1 1508074290 RNXPHOSULMCVQS-UHFFFAOYSA-N 488.394 1.856 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ccccn1 1508135124 KGAJHBSEVPSSPC-UHFFFAOYSA-N 475.596 1.981 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1508135803 AYCIUBCCFWISBB-UHFFFAOYSA-N 450.565 1.931 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1508145996 STZFRPHBXLGNAP-UXHICEINSA-N 457.556 1.832 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2COCCO2)C1 1508634828 CIVNNAVRHCQGPK-BZSNNMDCSA-N 462.551 1.537 30 10 JDEE CC(C)NC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1509753028 DJIUEQAAYGVFOG-KRWDZBQOSA-N 489.577 1.042 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1 1516820691 FGSRAFVJFNEEDI-NRFANRHFSA-N 474.591 1.727 30 10 JDEE C#CCOc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)cc1 1526379644 DHFMKMCLRFZYIX-LJQANCHMSA-N 454.504 1.952 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](C)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1539231438 VURGRIKTONFIQD-IEBWSBKVSA-N 489.573 1.634 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)(C)C)CC1 1539630754 GZKOIVNXEFIYHT-AABGKKOBSA-N 496.678 1.513 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1540864478 BDPGOJSZBOTTFY-IBGZPJMESA-N 486.573 1.986 30 10 JDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(S(C)(=O)=O)CC1 1540868391 CSKYVOYFYFRFGG-UHFFFAOYSA-N 456.572 1.752 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCNS(C)(=O)=O)C1 1540887542 YSRJSGAVGPEGHF-HNNXBMFYSA-N 455.968 1.938 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccccc2OC)CC1 1540901545 HLWIXKOMORHHQR-UHFFFAOYSA-N 485.614 1.610 30 10 JDEE CC(C)C(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1541285798 AWPTXBWCPNCUKK-QGZVFWFLSA-N 455.538 1.892 30 10 JDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C2CC2)N(C)C)CCN1S(C)(=O)=O 1555958890 FIBSFZIYLWBMOD-UWJYYQICSA-N 487.630 1.539 30 10 JDEE C=CCN(CCC#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1556760939 HUZSSNRTTXFVIG-UHFFFAOYSA-N 452.964 1.881 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC2(C(=O)NCC)CCC2)c1 1587683706 NAGNIIQTLSNDMA-UHFFFAOYSA-N 479.585 1.779 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1588034639 JTCGPJOEYBSGAN-MRXNPFEDSA-N 497.419 1.199 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588053557 FSJPPFCOHSJHBZ-VNTMZGSJSA-N 479.647 1.297 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1588054997 RFQWCWQCYYKVAN-OTWHNJEPSA-N 452.577 1.342 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)N1CCOCC1 1588140281 VIJOEMHDBBFSPS-UHFFFAOYSA-N 462.602 1.636 30 10 JDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCOC[C@H]1C 1588628977 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1.237 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2([S@@](C)=O)CC2)CC1 1588907990 JJEPCWZFZXUVEO-WJOKGBTCSA-N 460.991 1.870 30 10 JDEE C=C(Br)Cn1c(C(C)C)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1589295067 CELPESHTLOYOSZ-INIZCTEOSA-N 457.417 1.973 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC1CCOCC1 1589547359 UIILOFMRRMYFIS-HBMCJLEFSA-N 497.662 1.845 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2cnccn2)CC1 1595594171 LOSZLEKYNUQYQU-UHFFFAOYSA-N 464.530 1.285 30 10 JDEE CC(C)[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1612884917 IFYDOOOTLODUCN-XCGNWRKASA-N 453.551 1.013 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CC(=O)N(C)CC 1613585471 HATZOPRZWCFGQB-UHFFFAOYSA-N 497.604 1.738 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCc2ccc(F)cc2)C1 1620170627 HFEINGZBZMIDBN-XLIONFOSSA-N 466.514 1.435 30 10 JDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCn2c(nnc2C(F)F)C1 1626532090 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C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690053671 GGWOPUXZOLVGMP-HXUWFJFHSA-N 455.584 1.910 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1690111488 CLYQGYOKDOPFHB-DXIQSLLYSA-N 465.668 1.154 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C(C)C)N2CCOCC2)CC1 1690132198 KXWVHBRMMDFTQA-JOCHJYFZSA-N 454.623 1.252 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1690236744 QOUMXQSWCBJVOJ-UYAOXDASSA-N 477.635 1.936 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1690670970 MQZGWQMBYFIGDQ-RDTXWAMCSA-N 498.556 1.389 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](C#N)C1 1690723570 VYRCZPWVPHQBFK-KRWDZBQOSA-N 454.512 1.930 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCOC[C@H]1C 1690723629 XEANDGWAHJNFPY-OAHLLOKOSA-N 458.544 1.018 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@@H](C(N)=O)C1 1690723642 XOIYBSYHRZFCJZ-MRXNPFEDSA-N 456.528 1.513 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1690724692 USKHEMUROCWYQR-SFHVURJKSA-N 477.587 1.555 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1696487895 FRCTZSYITHSKTI-OAQYLSRUSA-N 459.576 1.190 30 10 JDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCN(C)C(C)(C)C2)c1 1697308066 DXNHZEAQGBFSDH-OAQYLSRUSA-N 469.590 1.717 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccccc1OC 1705534338 FSZLYJQYRNCNQX-FQEVSTJZSA-N 461.588 1.712 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1705559611 AAAMYRFAIJVCIS-AZUAARDMSA-N 460.556 1.386 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1705561075 NDZCYYAWTGVOIH-GOSISDBHSA-N 471.539 1.763 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1705612338 FCXLNDVTEZPWRM-YADHBBJMSA-N 471.627 1.931 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1705635905 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C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCC[C@@]3(CCOC3)O2)CC1 1740702239 KAMBQYTZJIQMMO-OWHZGTRUSA-N 489.617 1.696 30 10 JDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740714588 DDENUFBKWPZENB-UHFFFAOYSA-N 484.626 1.301 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)NC 1740771739 CFJVPFLFHDIMQT-UHFFFAOYSA-N 459.576 1.627 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCO[C@@H]1C 1740916508 PJFPZXALRFTBDA-LLBVYWAGSA-N 471.583 1.784 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1740951814 OKRQJSKVRHPWKM-QZTJIDSGSA-N 485.976 1.411 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1740962150 UTRQHIUANKHDPC-OYRHEFFESA-N 466.634 1.561 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cc(C)no2)CC1 1740991793 DUFRICJDPVXLKL-QGZVFWFLSA-N 450.565 1.001 30 10 JDEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1748731775 LQPBDBZXIFUYIP-HXUWFJFHSA-N 484.576 1.951 30 10 JDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1748772454 OKIQUWDGTZGRRH-JKSUJKDBSA-N 466.608 1.747 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOc1ncccc1Cl)[C@@H]1CCS(=O)(=O)C1 1748802419 PRBUXUHIHXSIJC-MRXNPFEDSA-N 492.989 1.268 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1748804563 ITNIZSXQZQWUCT-YZZKKUAISA-N 492.573 1.989 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCNC(=O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1748808562 LCYDTNRUJCXGQX-MRXNPFEDSA-N 457.512 1.496 30 10 JDEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1748809998 YNCNWKHVKFDFNV-QGZVFWFLSA-N 476.580 1.753 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CC[C@@H](C(F)F)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748810237 UUSYTIGMHHGFGC-PMACEKPBSA-N 493.580 1.928 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)c(COC)c2)CC1 1748989182 HNSCLOJVRACATO-GOSISDBHSA-N 461.563 1.269 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)C2CCCCC2)CC1 1749008765 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C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1760181452 VUDYHOHTKGAYPX-UPTQXZAWSA-N 486.623 1.731 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1760187581 WYRQCQSODLTASE-CTNGQTDRSA-N 459.591 1.977 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1760219250 YMEMKBXBFFRNKS-HXUWFJFHSA-N 455.584 1.934 30 10 JDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN1S(C)(=O)=O 1760223726 JWRMTHVTERGTGY-QGZVFWFLSA-N 474.612 1.157 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1760248427 LMBXWKWLAJOXQS-ROUUACIJSA-N 460.579 1.962 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2snnc2C)CC1 1760271459 YNNHHKNAIRCCSY-UHFFFAOYSA-N 484.611 1.444 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760272618 PZBDHOJQDFMPGF-UHFFFAOYSA-N 490.655 1.985 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(N)=O)CC1 1760312925 GODOHQJROSMYIP-XLIONFOSSA-N 453.547 1.998 30 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488.614 1.862 30 10 JDEE CN(CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)CC(F)(F)F 1768888699 DEGYTYPUGJPXIJ-KRWDZBQOSA-N 491.522 1.707 30 10 JDEE C=CCOc1ccccc1[C@H]1C(C(=O)NCc2ccccn2)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865717297 SSQYFKJYCAEFGZ-SFHVURJKSA-N 475.505 1.055 30 10 JDEE CC(=O)Nc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 1870155550 SMXPILKYYPAMDH-UHFFFAOYSA-N 474.393 1.240 30 10 JDEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN2CCN(c3ccccn3)CC2)cc1=O 1870560072 FPPZBQFSRYIAGR-UHFFFAOYSA-N 493.589 1.273 30 10 JDEE C=CCn1c(C(=O)N2CCN(CC)CC2)cc2c(NCCc3ccc(S(N)(=O)=O)cc3)ncnc21 1875231594 UWGQXJQFNTTYAS-UHFFFAOYSA-N 497.625 1.697 30 10 JDEE CCN(CC)c1cccc(OCC#CCNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2CCOC)c1 1890959101 PWOHIKSBYUXWFW-UHFFFAOYSA-N 495.580 1.344 30 10 JDEE CN(CC[S@@](C)(=O)=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2255633340 ZIYIOMPPHUHPHZ-WJOKGBTCSA-N 456.374 1.814 30 10 JDEE CC[C@@H](CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 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JDEE Cn1nc(C(=O)N[C@@H]2COC[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282040848 OKXJQCKMULZKGW-QWHCGFSZSA-N 484.790 1.642 30 10 JDEE Cn1nc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCOCC2)cc1B1OC(C)(C)C(C)(C)O1 2282052377 NJYPZDBYVPGNCP-UHFFFAOYSA-N 464.372 1.523 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2282100680 XQJWMVARYGJJJA-BMFZPTHFSA-N 460.340 1.140 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCC1(CNC(=O)OC(C)(C)C)CC1 2282301195 CZCOAMBMJQCPHW-UHFFFAOYSA-N 485.416 1.088 30 10 JDEE C[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCCN1C(=O)OC(C)(C)C 2282335610 RRGCSADBQWJWTG-OAHLLOKOSA-N 484.428 1.739 30 10 JDEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3COC[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282555859 ZIYOVXIFCYRWNY-JKSUJKDBSA-N 462.356 1.180 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 2282582583 XYSMWJWFJNEDPV-LJQANCHMSA-N 498.389 1.970 30 10 JDEE CO[C@H]1CN(C(=O)c2c(C)nn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2282587749 AXRXDDXYWOLSHO-GJZGRUSLSA-N 464.372 1.392 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)n1 2282588178 SETPRCWKGQLPCB-IBGZPJMESA-N 498.389 1.970 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 2282592444 CVAYZUPSWUFBMF-CABCVRRESA-N 464.372 1.128 30 10 JDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282868243 KXPUOJISLVPVGK-ZIAGYGMSSA-N 485.416 1.038 30 10 JDEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 2283976998 KSKIXVKQYFEEPD-KRWDZBQOSA-N 461.368 1.713 30 10 JDEE Cc1c(C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)c(N2CCN(C)CC2)n(C)c(=O)c1C#N 2314435859 YNKTYGNCBUJZHB-HNNXBMFYSA-N 473.624 1.697 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(NC(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2334263458 KOQSONPQXVFUTR-DGCWBMGLSA-N 465.381 1.997 30 10 JDEE COCCNC(=O)CN1CCN(/C(=N/c2cccc(C(=O)O)c2)NCCc2ccccc2)CC1 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C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCOCC1 1286552667 ADCLHSFJKCVDQP-AQNXPRMDSA-N 483.635 1.455 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H]1COCCO1 1286768275 WVBCSRSDEODEMZ-QGZVFWFLSA-N 454.531 1.636 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1286776355 VCPLURBYVWFDMJ-IEBWSBKVSA-N 489.621 1.562 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286783739 KIZLPEJLOQHCTK-KRWDZBQOSA-N 477.587 1.668 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 1286786018 MRZKRXNJXQEKJS-ICSRJNTNSA-N 494.600 1.878 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2cnccn2)cc1 1286797553 XDSLORNDJFERBZ-NRFANRHFSA-N 499.597 1.651 30 10 JDEE CC(=O)N1CCC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C#N)c2)C1 1286856309 HYWYDEZZRMSFEF-OXQOHEQNSA-N 473.603 1.655 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(Cn2cccn2)c1)[C@@H]1CCS(=O)(=O)C1 1300480150 YIACKAOTMUPADV-OAQYLSRUSA-N 495.609 1.336 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 1300500532 AXSQFTBDTYTYRS-HNNXBMFYSA-N 479.965 1.868 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)CCCO1 1300658238 ZNFKFDNYXDYRQI-JOCHJYFZSA-N 461.588 1.851 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cnn(CC(C)C)c2C)CC1 1300719817 RGIWAYILLKZUDO-UHFFFAOYSA-N 463.590 1.854 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1301222702 DIRGVWAUZXOLII-GOSISDBHSA-N 487.586 1.862 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCN(CCC)CC1 1301223042 LQHUOIGCBFAKKG-IBGZPJMESA-N 454.641 1.888 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nccs2)C1 1301258757 ZQGMYELWXIRPSF-HZPDHXFCSA-N 453.590 1.807 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCn2ccnc21 1301423728 CBONEAWTKNBQHE-ROUUACIJSA-N 479.607 1.024 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1301493179 VTTQPVFDWCEGCT-DEOSSOPVSA-N 468.558 1.760 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1301568363 RYVXWTVAKCZEDD-GOSISDBHSA-N 494.662 1.494 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(C(=O)NC)CC1 1301586363 KUQVCYKEJOTFTJ-UHFFFAOYSA-N 470.599 1.913 30 10 JDEE CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 1352914726 CRGRLWUHOCOLIS-IBGZPJMESA-N 455.536 1.891 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N2CCOCC2)CC(OCC)C1 1358900709 QUVKGCWXMUAAOB-NSGJIXOZSA-N 461.607 1.730 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(Cl)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1358961953 HNFDSGHWFHKTOM-IAGOWNOFSA-N 477.974 1.566 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1358963723 MXHIOOLSZCGJAY-IAGOWNOFSA-N 454.618 1.387 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2ccccc2)n1 1359024547 PIOFZXDXNLJPNC-SFHVURJKSA-N 455.540 1.970 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCCN2CCC[C@H](C)C2)CC1 1359029104 OPTZQSJCLIXSKO-PMACEKPBSA-N 465.668 1.156 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2nc(C(F)(F)F)cs2)CC1 1359036050 LKAFRNIQBMMQGD-CQSZACIVSA-N 488.561 1.653 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCCCS2(=O)=O)CC1 1359042045 POCFNCGVMBWTAS-OAQYLSRUSA-N 485.610 1.887 30 10 JDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359055611 KCFGYHRAACOGKU-AWEZNQCLSA-N 451.574 1.386 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCNC(C)=O)Cc1ccc(C)s1 1359287545 KNEKBVCTIPLXJX-GOSISDBHSA-N 482.632 1.310 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1359296195 ADHDLDBZXXMTIG-GOSISDBHSA-N 468.558 1.761 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)c2ccccc2)C1 1359312228 PVTRPSKYVRWWMZ-GOSISDBHSA-N 459.572 1.769 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1359326776 JKGYNGQPAQNRAB-UHFFFAOYSA-N 492.646 1.344 30 10 JDEE C=CC[C@H](NC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1)C(=O)OCC 1447545834 AMPTXEFHHYDBNE-OYHNWAKOSA-N 456.536 1.958 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)C1=O 1453683877 OWWKHMJNGWEPDT-HUUCEWRRSA-N 466.416 1.026 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCC2(C1)OCCO2)[C@H]1CCS(=O)(=O)C1 1507625111 GJMBZVOFIILBFW-OTWHNJEPSA-N 482.603 1.172 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1507629006 ZGRKSNCRJWIMPL-WMZHIEFXSA-N 474.583 1.614 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCNC(=O)C1CCC1)[C@H]1CCS(=O)(=O)C1 1507633526 HAGRLOSCUSBNBR-FQEVSTJZSA-N 487.601 1.941 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1507633820 IMSCCFJPQTXIQA-GOSISDBHSA-N 472.546 1.823 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1507636733 CTZANVHSFJRWSY-SCTDSRPQSA-N 479.990 1.726 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc(C(F)(F)F)ccn1 1507643826 ZLUNAYAKOXMRHG-AWEZNQCLSA-N 454.478 1.618 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1508059116 LOGZUOLSZCMHOW-MRXNPFEDSA-N 484.623 1.681 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1508092083 OVKFBWVQYVSBIQ-DEOSSOPVSA-N 481.557 1.282 30 10 JDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C[C@@H]1C 1519205222 BBZVWQCFLXKRBK-SFHVURJKSA-N 472.615 1.798 30 10 JDEE C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1=O 1538450455 AGSUTQLGLUJPDJ-QAPCUYQASA-N 450.517 1.241 30 10 JDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 1539084945 FXRCJHMAGLBFDE-GOSISDBHSA-N 470.578 1.730 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1539205051 FUWCFDCJPCXHLE-HNNXBMFYSA-N 482.404 1.968 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1539206150 MNTPTTWCZGHXFU-UWJYYQICSA-N 479.628 1.645 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1539207188 ZRQRTMHKWSDKQA-YKSBVNFPSA-N 488.610 1.944 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1539221566 QADYRIFVHGDOFC-ZACQAIPSSA-N 456.659 1.995 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1539223990 AYUKUTIEEFIYHO-TZIWHRDSSA-N 458.584 1.878 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1539328389 QVEOHVAEXUCSJC-HXUWFJFHSA-N 455.584 1.764 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(C)c1 1539416665 RFCVDIPOQGNHKX-IBGZPJMESA-N 459.572 1.005 30 10 JDEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539772830 NQSUYDVHPXWWTB-MRXNPFEDSA-N 457.922 1.047 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1540866846 CHCVYFQTYLZYRV-HSZRJFAPSA-N 470.530 1.686 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1540876325 NVLHPZULPKRBSL-SQNIBIBYSA-N 487.605 1.900 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1540903988 IFXXPONSBOVDGP-QGZVFWFLSA-N 494.687 1.924 30 10 JDEE CC(=O)N1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C#N)o2)[C@@H](C)C1 1540996383 IKBVKAWDZLIPDY-AWEZNQCLSA-N 453.528 1.840 30 10 JDEE C[C@H](CN1CCOCC1)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1541880058 FSMXGJNDSSOSKY-WIYYLYMNSA-N 472.615 1.657 30 10 JDEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(OCC(N)=O)c2)C1 1541990358 FHGUFLRJVRCRJU-QHCPKHFHSA-N 451.531 1.443 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)Nc2cc[nH]n2)c2ccccc2)s1 1585202477 JAYQFFZVTVJVLK-IBGZPJMESA-N 459.553 1.974 30 10 JDEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1588034476 GQFGHLDCPXDJLD-GOSISDBHSA-N 478.578 1.731 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1CCS(C)(=O)=O 1588595366 RJKCXMURYZEPNT-UHFFFAOYSA-N 471.377 1.847 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(Cl)s2)CC1 1588811972 NQPQAMMMVIFLOK-HNNXBMFYSA-N 454.021 1.893 30 10 JDEE C=C(Br)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1589358709 YTIBLFZVLARFAL-UHFFFAOYSA-N 459.348 1.781 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(OCC(N)=O)CC2)nnc1[C@]1(OCC)CCOC1 1589581426 SESIZFJSZGWHGP-MONBJTKQSA-N 463.579 1.382 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(OC(F)F)c1 1594962928 NYJKKEOSCMQWEH-CQSZACIVSA-N 458.491 1.278 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1595788795 JTBQMIIBCGEFLJ-IBGZPJMESA-N 486.598 1.183 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)[C@H](C)CC)CC1 1615938172 ATJFYEMTBQWILU-KOSHJBKYSA-N 453.591 1.872 30 10 JDEE N#Cc1ccccc1COc1cccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 1654258892 HRJBALCWIDPGBV-FCHUYYIVSA-N 455.536 1.053 30 10 JDEE C#CCn1ccc(CN(CC)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)n1 1677169198 FUCQQOHQMNBZRF-LJQANCHMSA-N 452.563 1.343 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC2CC2)nc1 1689853003 NVKMZVPRJDKABX-APWZRJJASA-N 474.587 1.301 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1689853647 WVBLMUZSCAVUAT-OKZBNKHCSA-N 498.650 1.618 30 10 JDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCS(=O)(=O)C1 1689949245 WGWGECGZJRVCPJ-HNNXBMFYSA-N 450.590 1.051 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(COC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1689982885 WOACSDVHXWNMEG-WMZHIEFXSA-N 496.630 1.000 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1F 1690104479 XZKAMYSLZCBLIW-GOSISDBHSA-N 485.969 1.538 30 10 JDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CC1 1690527995 WBNKCRSCYVKZCA-OAHLLOKOSA-N 455.581 1.786 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1690644296 CIQCSRHJGMNVAR-GOSISDBHSA-N 489.602 1.356 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2([S@](C)=O)CC2)C1 1690688023 MUGHNSGCMUHJAS-CVCYQNGTSA-N 493.655 1.888 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(C)C)C1 1690724586 RZRNSWKCJHSDBM-ROUUACIJSA-N 489.664 1.084 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1692511942 FXUMKMJEYPVZQF-UHFFFAOYSA-N 453.547 1.672 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N2CCC(OC)CC2)CCCC1 1705551371 MNVIBYCPXWENLT-FQEVSTJZSA-N 494.662 1.104 30 10 JDEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1705561336 PCFAXFLWIZNPBI-QZTJIDSGSA-N 495.399 1.750 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1705576583 NGYRSBBGBCVZBU-WOJBJXKFSA-N 473.585 1.881 30 10 JDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCNC(=O)[C@@H](C)CCC)CC1 1705638325 GUJZRBSHORZOEN-KRWDZBQOSA-N 455.563 1.313 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1705639461 OTSPEVOWLILRNI-RTBURBONSA-N 494.662 1.581 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1705650984 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C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCOC2)CC1 1722444648 MAOZURXVJFVRRF-XDHUDOTRSA-N 471.533 1.674 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1722447433 NGZSWNANIVFWAT-RUZDIDTESA-N 479.585 1.218 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)N(C)c2ccccc2)CC1 1722447860 OCIAXQQOENCACA-RXVVDRJESA-N 463.586 1.720 30 10 JDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1722535884 PQEPELUMXYGYKJ-UHFFFAOYSA-N 474.591 1.700 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1722583701 TZGQVCHABPYMAK-PMACEKPBSA-N 480.635 1.272 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@]2(CCOC2)C1 1722623510 HITQKYYHSHDZQX-HSZRJFAPSA-N 491.614 1.784 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[C@@H]2NC(=O)NC2=O)C1 1722723461 YXEZRCCFTYVUHK-KSSFIOAISA-N 460.485 1.917 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(c2cnn(C)c2)CC1 1722730003 FCPMBTGRHKVPHA-UHFFFAOYSA-N 469.615 1.724 30 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494.643 1.505 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCS(=O)(=O)C1 1540129482 VTTKABIHFAYTNA-FQEVSTJZSA-N 468.583 1.899 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1NC(=O)CC1(C)C 1540186779 HDGOQVLLPILBQT-SJLPKXTDSA-N 461.588 1.923 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1540871533 NVBCZUPPAGLQPW-HXUWFJFHSA-N 452.559 1.745 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)OCC)CC1 1540900039 JFOFJYNDDVXVNP-UHFFFAOYSA-N 468.967 1.873 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1540901735 NOTCNFMBQZPPEL-UHFFFAOYSA-N 474.978 1.711 30 10 JDEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)C1 1541274765 BUETUYCMJIVALD-IBGZPJMESA-N 477.573 1.894 30 10 JDEE CCN(CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C(C)C 1547587192 AXIVWMUJTOPFLA-LJQANCHMSA-N 455.611 1.753 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C2CCCC2)CC1 1554503406 DJEZKHMJTGBFFY-UHFFFAOYSA-N 457.604 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CCN1CCN(C2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCS(C)(=O)=O)CC2)C1=O 1615875152 CRAQOOMEPPRUTR-UHFFFAOYSA-N 485.614 1.978 30 10 JDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1634107419 DEHNRIJTYKOOBB-CAOSSQGBSA-N 453.540 1.679 30 10 JDEE CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)Nc1ccc([C@H](C#N)c3ccccc3)cc1)C2 1667154349 GTYSBIQDXJKOJJ-HXUWFJFHSA-N 459.510 1.836 30 10 JDEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)CCCS(C)(=O)=O 1667304008 CGSUHDLNLMXVJM-OAHLLOKOSA-N 450.376 1.972 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1689848326 SNXRMCXBVPTGGE-INIZCTEOSA-N 473.541 1.847 30 10 JDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1689910837 RUABMOJQZOQNTD-UHFFFAOYSA-N 452.563 1.430 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OCCC)nc1)[C@H]1CCS(=O)(=O)C1 1689998569 QAQSDWKAULTTKD-RBUKOAKNSA-N 459.572 1.988 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(C)COCCO1 1690003520 PPXOMYMXEZMDTE-JOCHJYFZSA-N 456.572 1.425 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1690043518 DLXGKZAAQRBURX-SFHVURJKSA-N 478.578 1.573 30 10 JDEE C#CCN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCCNS(C)(=O)=O)CC1 1690113369 HUSIUCMKULUAQN-UHFFFAOYSA-N 456.616 1.443 30 10 JDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690160138 YGRIBTYBXUUHEK-UHFFFAOYSA-N 464.573 1.738 30 10 JDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1690172719 MEIPXCUCIFAWTP-CEMLEFRQSA-N 474.675 1.917 30 10 JDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1690288267 PJMODIWJYSMMIW-KRWDZBQOSA-N 461.592 1.580 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690717863 SKAOADRJHLADFI-FQEVSTJZSA-N 451.556 1.594 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCCCC2=O)CC1 1690722886 ZJAIUNFHEFBCRR-UHFFFAOYSA-N 461.592 1.261 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(S(C)(=O)=O)CC1 1690723978 FRMHJJDOKPMYDY-LJQANCHMSA-N 496.611 1.405 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncnn1C(C)(C)C 1705544821 FGCQZVMZOUAHPT-UHFFFAOYSA-N 456.576 1.660 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(-c2ccccc2)no1 1705552178 WFQFBGDVGMZPPT-LJQANCHMSA-N 456.528 1.384 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1705560932 LYBFFMXQSGHWHX-OAHLLOKOSA-N 497.419 1.199 30 10 JDEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=C)C)[C@H]1CCS(=O)(=O)C1 1705566429 OFJWXFBTWZTAQV-KRWDZBQOSA-N 466.567 1.878 30 10 JDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1705656471 YPZSJXZLVPAZFG-UHFFFAOYSA-N 479.614 1.982 30 10 JDEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC(=O)N2CCOCC2)CC1 1705765049 XEKGPBHGUOSULZ-UHFFFAOYSA-N 457.531 1.986 30 10 JDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705900993 WYTTYHYATJCEJQ-UHFFFAOYSA-N 464.574 1.375 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](COc2ccccc2)C1 1705936104 KBAMTMFNGNZYDK-QUCCMNQESA-N 462.572 1.667 30 10 JDEE C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1 1706079130 FFFAAIXBUONLMB-HXUWFJFHSA-N 492.628 1.818 30 10 JDEE CN(C)C(=O)COc1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1710991104 FTPOMMKJIDINFY-VQTJNVASSA-N 454.531 1.764 30 10 JDEE CN(Cc1ccccc1)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1711090817 GYLGIUONRLFGRU-IBGZPJMESA-N 456.572 1.579 30 10 JDEE N#Cc1cccc([C@@H]2CN(c3nnc([C@@H]4CCOC4)n3CC(=O)NCC(F)(F)F)CCO2)c1 1712878272 BLOMLQHSCDIURK-SJORKVTESA-N 464.448 1.910 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1722296714 UJYXZZAKSPSQOX-CEWLAPEOSA-N 457.600 1.539 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cn(CCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1722360220 FIXVCSPYPCYFGV-FQEVSTJZSA-N 470.603 1.659 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722364675 AECAFENGDVBWRE-OALUTQOASA-N 463.604 1.201 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1722365040 BSVDUGCBCKUFQW-OEMYIYORSA-N 484.644 1.155 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722372041 OHLKNSOSZHAUBW-WTPASJBYSA-N 480.660 1.314 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1csc(COC)n1 1722380573 QINCWQWNSCTKLE-UHFFFAOYSA-N 459.535 1.916 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(=O)NCC(F)F)CC1 1722436628 JKUXVZOQFITQDU-QGZVFWFLSA-N 495.575 1.529 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1722491882 OSDJMLGHSTUHKE-KSZLIROESA-N 498.650 1.927 30 10 JDEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722519006 AQBASVXWUCMHHC-QGZVFWFLSA-N 483.964 1.970 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)N1CCCC1)C1CC1 1722650862 MXWJWARSMBPSIW-MJGOQNOKSA-N 452.625 1.640 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722677017 QWSJNDKLXIAWCG-ZWKOTPCHSA-N 497.643 1.290 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 1722686166 SHZQNAFAXWALAT-MRXNPFEDSA-N 455.581 1.786 30 10 JDEE C=CCn1c(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722690193 AWSMRBRQMKLRFO-HXUWFJFHSA-N 482.632 1.781 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1722691750 SQOAIXQTUXRLMA-BTYIYWSLSA-N 497.021 1.028 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1722738293 FQGCVBOWLYZGGA-DLBZAZTESA-N 473.665 1.782 30 10 JDEE CO[C@](C)(Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1)C1CC1 1729819446 DTKUSPOYPQEQAQ-XMMPIXPASA-N 468.558 1.839 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2CCc2ccccn2)C1 1731012302 FNQZPNJQCUNBFF-IBGZPJMESA-N 459.576 1.379 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1740589938 DAAPNMMZABGUEW-FQEVSTJZSA-N 484.586 1.242 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1740620634 GAVHNOOTZHYFIG-MOPGFXCFSA-N 459.620 1.426 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1740620904 HOGLNWKEYZZENZ-IBGZPJMESA-N 466.567 1.318 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1740621845 ZQPDAKVIFQGYAZ-VFNWGFHPSA-N 479.965 1.843 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CC(F)(F)Br)[C@@H]1CCS(=O)(=O)C1 1740625609 OPRYXWUOQKZJFA-CQSZACIVSA-N 474.331 1.878 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N1CCOCC1 1740638192 KSHOQKZKIKOGFT-HXUWFJFHSA-N 484.601 1.714 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCSC2)n1 1740689206 RHCHTKYACIFNIU-ZWKOTPCHSA-N 478.644 1.416 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)CC 1740923519 NZNGKQAHSXHHQB-QGZVFWFLSA-N 482.632 1.343 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](COC)C1 1740959369 SRLANBKZYOCFRE-GJZGRUSLSA-N 453.503 1.136 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1740965663 QYLYNXGWYWWKSX-HSZRJFAPSA-N 485.545 1.467 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1740986070 RHQGUQCSVFRSNT-LJQANCHMSA-N 493.552 1.645 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@H](NC(=O)OCC)C1 1740989641 TZAZADAACAJLOD-INIZCTEOSA-N 450.565 1.599 30 10 JDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC2CCOCC2)CC1 1741698502 DEUOSYHUNOSRLV-UHFFFAOYSA-N 451.575 1.890 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCC1Cc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1748802889 STSHEPAAGRMSRS-NRFANRHFSA-N 469.611 1.848 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOc1ccc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1748817417 KKPMUIIDAPQVFE-WBVHZDCISA-N 465.963 1.536 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(C)n(C)c1=O)[C@H]1CCS(=O)(=O)C1 1748818706 DVWKPLGGJRMSNN-NRFANRHFSA-N 483.569 1.690 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748825458 ZKJJMCDMYPTLMG-AUSIDOKSSA-N 458.584 1.953 30 10 JDEE 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C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1539631057 ICVFNZYIIOFMMU-MXTNKPTQSA-N 451.593 1.124 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1539744270 HCDOYGVOAOMBQJ-DLBZAZTESA-N 456.551 1.220 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1539751162 HQYMMYMXAIUQNF-SFHVURJKSA-N 471.587 1.990 30 10 JDEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCN(C)C1 1540154245 SPLHHRRPVRSTAC-QFIPXVFZSA-N 459.620 1.792 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1540871428 LNUZNYPOENUQJR-WAOWUJCRSA-N 456.595 1.337 30 10 JDEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)NC)cc1 1547978148 FYBDINFUHDXJQX-YJBOKZPZSA-N 464.548 1.095 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2noc(CC)n2)c1 1587692691 IJKRZWWXTXZJNB-KRWDZBQOSA-N 497.581 1.425 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1588035071 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C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCCCS2(=O)=O)n1 1705631325 AJPVMBFKWSSMEO-LEWJYISDSA-N 490.630 1.970 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cscc2C)CC1 1705645536 WXDAOPWZTXDHTL-HNNXBMFYSA-N 464.617 1.272 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CC(=O)N1CCN(c2ccccc2)CC1 1705667220 KIEAWSHHJIMJLB-RUZDIDTESA-N 463.586 1.757 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1705725893 WXIVFQJPDCBKLX-HXUWFJFHSA-N 488.614 1.540 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)on1 1705737555 UXCFEASZDCIUBK-QGZVFWFLSA-N 454.553 1.137 30 10 JDEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1705761347 JRLCEIYTYAUJPA-NRFANRHFSA-N 479.990 1.568 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N2CCOCC2)CCCCC1 1705844321 ZXALSBJFXDXANC-LJQANCHMSA-N 482.651 1.268 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(OC)CCOC1 1705883803 VZKSIAYSFYHRHN-QHCPKHFHSA-N 454.531 1.636 30 10 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466.626 1.996 30 10 JDEE C[C@H](C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1)n1nc(-c2ccc(F)cc2)ccc1=O 1889642104 CJZWFDCBUUZBTO-OAQYLSRUSA-N 495.599 1.869 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@@H]2NC(=O)OCc2ccccc2)n1 2247838063 CBRCBBVKLBQUEH-ROUUACIJSA-N 454.336 1.907 30 10 JDEE Cc1c(C(=O)N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266999870 PUQAQTCZWKQHGZ-KBPBESRZSA-N 450.345 1.050 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)n1 2267113225 QMHVKXANVKUYNX-SNVBAGLBSA-N 463.266 1.300 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2267410814 PODIMBUFZCYFRD-UONOGXRCSA-N 488.437 1.696 30 10 JDEE Cn1nc(C(=O)NC[C@]2(F)C[C@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267549143 KDRHNXXARPNVRR-KIFPSNHUSA-N 452.336 1.845 30 10 JDEE CC(C)(C)OC(=O)NCCCN(CCO)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267722904 ZSISPVOGYAQLGW-UHFFFAOYSA-N 490.453 1.945 30 10 JDEE Cc1csc(CNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2268632297 IRFFNGHVUUHDIK-CYBMUJFWSA-N 467.397 1.741 30 10 JDEE C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268646718 LCPAYWLTRRFWEN-YDHLFZDLSA-N 467.397 1.990 30 10 JDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCn3c(CNC(=O)OC(C)(C)C)nnc3C2)C1 2281230622 LEAYOLWSHXVINT-UHFFFAOYSA-N 474.562 1.952 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC(CCNC(=O)OC(C)(C)C)CC2)n1 2281955298 JVHBDFRDIXQJQF-UHFFFAOYSA-N 463.388 1.881 30 10 JDEE CCn1cc(C(=O)Nc2n[nH]c(CNC(=O)OC(C)(C)C)n2)nc1B1OC(C)(C)C(C)(C)O1 2282033357 SHTAOVMBQFBXRM-UHFFFAOYSA-N 461.332 1.597 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1 2282040007 CURSJYRSLIJROU-CABCVRRESA-N 464.372 1.521 30 10 JDEE CC[C@@H](CN(CC)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2282307367 AXDBRMYTONRCNY-AWEZNQCLSA-N 487.432 1.428 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)OCC1(C)C 2282581432 HTXUJEWJRXOAGO-AWEZNQCLSA-N 464.372 1.853 30 10 JDEE Cc1nc(NC(=O)c2cn(C)[nH]c2=NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2283964123 RGBSXNCCDWRIQW-UHFFFAOYSA-N 458.328 1.839 30 10 JDEE C[C@@H](OCc1ccccc1)[C@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284410439 BRZVNZYITMCVDQ-PBHICJAKSA-N 496.416 1.920 30 10 JDEE CN(Cc1ccccc1)C[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)O 2284412993 ZTCNCHCJZKMLOQ-HXUWFJFHSA-N 474.388 1.849 30 10 JDEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2315696483 GUAGYSSVCNWCFE-UHFFFAOYSA-N 453.370 1.544 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2334265654 YCMZIEYGZUPBPP-LZWOXQAQSA-N 468.381 1.118 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)[C@@H](O)C1 2357503994 ANRNMDQBEKDYFY-WVZRZZCNSA-N 466.384 1.804 30 10 JDEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCCC(=O)Nc1ccc2c(c1)C(=O)NC2=O 20915521 SHPAFMXLFIKREM-LSHDLFTRSA-N 466.483 1.148 30 10 JDEE C=CCn1c(=O)c2ccc(C(=O)NC(C)C)cc2n2c(=O)n(CC(=O)N(C)c3ccc(F)cc3)nc12 64581535 IPXQRHDDBQDOQN-UHFFFAOYSA-N 492.511 1.937 30 10 JDEE CCOc1cccc([C@@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)c1 72444424 IQEHVFLFGCIWII-IRXDYDNUSA-N 451.483 1.736 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(NC(=O)c3ccoc3C)CC2)cc1 589819893 BMTJGWSWRLFRTM-UHFFFAOYSA-N 488.566 1.754 30 10 JDEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NCC=C)sc(=Cc3cnn4ccccc34)c2=O)c1 729672252 DYNHMOIZJMHAPM-UHFFFAOYSA-N 451.511 1.333 30 10 JDEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 919014779 ZFPHVCUAONTHKY-DFIYOIEZSA-N 467.522 1.865 30 10 JDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(Cc2ccccc2)C(=O)C1(C)C 1159721349 DUFDRNFIWVFARC-QGZVFWFLSA-N 454.552 1.875 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC2(S(C)(=O)=O)CC2)c1 1286310707 YAOXHJPEACDLCJ-UHFFFAOYSA-N 464.551 1.974 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1286386323 YLLZWYZOGAVOHV-UHOSZYNNSA-N 491.639 1.245 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1OCCOC)[C@H]1CCS(=O)(=O)C1 1286391300 DRFNFLFCLJTVSM-UXHICEINSA-N 474.583 1.482 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1286392671 JEMRAJUNEYWKFP-HUUCEWRRSA-N 454.503 1.786 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1286393362 KJWMQJIUWWUQEI-HXUWFJFHSA-N 453.572 1.257 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCO[C@H]1CCOC1 1286400768 KSKHLZHOVUILSV-IBGZPJMESA-N 470.599 1.815 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCN(C(C)=O)C2)n1 1286471376 MAIMFCBFXAZTEE-IFMALSPDSA-N 469.590 1.871 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(OC)c1 1286523528 YBRILQNEFNWESJ-WZONZLPQSA-N 471.583 1.611 30 10 JDEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1286585081 AJHCGESWYPMWCS-ZWKOTPCHSA-N 457.597 1.209 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286603953 CSUJJEJQHNEWBU-UHFFFAOYSA-N 497.643 1.459 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccco1)C1CC1 1286736143 BACJNYDOJDCHSZ-JXFKEZNVSA-N 451.549 1.267 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2ccccc2OC)CC1 1286790211 KTFQBRAXEIEAQX-UHFFFAOYSA-N 478.601 1.773 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1286816419 IVFOITWPGHJWRM-UHFFFAOYSA-N 468.583 1.866 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1286822023 GCYRCYPJEPCHRT-IEBWSBKVSA-N 465.645 1.688 30 10 JDEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)O)C[C@@H]2C)CC1 1286887553 SKHNGMTUPIUKOA-UWJYYQICSA-N 451.575 1.576 30 10 JDEE CCc1nn(C)c(OC)c1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1292776792 BHVBPSMVYRNWLO-VFNWGFHPSA-N 461.592 1.663 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C)CCOCC2)CC1 1298013197 GXLZXZIKSMNLOD-UHFFFAOYSA-N 451.575 1.844 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OC(F)F 1300312214 YCIDPNSBIQMFHZ-MAUKXSAKSA-N 483.541 1.913 30 10 JDEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1300483936 PNUOQOGZZZPBJH-DOTOQJQBSA-N 475.640 1.894 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1coc2ccccc12)[C@H]1CCS(=O)(=O)C1 1300485466 WZZQARSGZGTYTI-RDJZCZTQSA-N 491.595 1.310 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CN(CC(C)C)CCO1 1300511488 KGEVSWBSEYCFIE-QFIPXVFZSA-N 498.653 1.625 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCSC1 1300642339 IQVROXUKDGYDQZ-MGPUTAFESA-N 467.592 1.535 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1300721904 CNMQDEFZPFMXAA-UHFFFAOYSA-N 455.584 1.714 30 10 JDEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1300964093 OBUIAXPFBSLRPG-UHFFFAOYSA-N 468.558 1.249 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC1 1301576501 WDVZYMHJUYJUBW-UHFFFAOYSA-N 453.590 1.396 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCN1CCOCC1 1301579404 QXQRDYIZORPYHL-UHFFFAOYSA-N 472.615 1.806 30 10 JDEE CC(C)C(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1302468467 GKWHDIGEZZFBNP-LJQANCHMSA-N 485.614 1.151 30 10 JDEE COc1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)cc1F 1315468148 HAVVXYOXPZPKEQ-NQIIRXRSSA-N 496.540 1.443 30 10 JDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[S@](=O)C(C)(C)C)CCN1S(C)(=O)=O 1316493134 CZJBCRRXUVILOY-ZYSBOAIWSA-N 478.644 1.834 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC(C)(C)N2CCOCC2)c1 1358902308 KEFKBYWIHSFQRO-UHFFFAOYSA-N 474.569 1.902 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)c1 1358902691 WQCHIZNCZKSLOP-LJQANCHMSA-N 490.568 1.230 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCNC(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1358960376 CVOBNLCLBKLDRN-HNNXBMFYSA-N 458.569 1.391 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CCCCN1CCCC)[C@H]1CCS(=O)(=O)C1 1358966378 NORZPCMMJIDBJW-RTWAWAEBSA-N 490.674 1.682 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC(=O)NCC2CC2)CC1 1359046536 VQCBLDLNIOHSHK-UHFFFAOYSA-N 464.570 1.370 30 10 JDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359056310 CMCXGSQZHYFFAD-GOSISDBHSA-N 460.604 1.157 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359106308 ZZEHSEWZPOJWFH-XTJBDQBJSA-N 490.649 1.510 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(NC(=O)OC(C)(C)C)COC1 1359107263 HWBSQXYGXDTJGC-OAHLLOKOSA-N 472.612 1.584 30 10 JDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1359135960 UDAUWSUEJBSQGF-UHFFFAOYSA-N 451.597 1.250 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359296170 ZJHDEIUZTLRZHR-HNNXBMFYSA-N 467.357 1.895 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cc(C)on2)CC1 1359333434 XOKMFPDDRFVRQZ-QGZVFWFLSA-N 450.565 1.001 30 10 JDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCOCC2)CCCCC1 1504883437 AMGCHAPIMUZJLI-UHFFFAOYSA-N 473.622 1.916 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc(-c2ccccc2)n1 1507616682 LXBVVXZBZHEGNN-GOSISDBHSA-N 456.528 1.384 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1507626636 OJNKPRPAKCEVAE-OALUTQOASA-N 494.639 1.706 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1507653994 ULASWVSHOXOLKO-LPHOPBHVSA-N 461.538 1.834 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2OCCC2(C)C)CC1 1507733623 GJENTZDCHVMCJP-GOSISDBHSA-N 465.558 1.706 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)CC1 1507735535 BRPZFMDTDQOJQS-XMMPIXPASA-N 466.542 1.797 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1507751327 HIFOQAGOJQPRIN-GOSISDBHSA-N 479.610 1.863 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1508143339 GFEDXOVUTONPRQ-UHFFFAOYSA-N 473.628 1.956 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1508144426 DLACFJMQCNQUPG-IERDGZPVSA-N 498.602 1.018 30 10 JDEE CC(C)c1nc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cs1 1508886962 BYUVXNRLLVNDND-ZFWWWQNUSA-N 453.594 1.440 30 10 JDEE CS(=O)(=O)C[C@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1522162428 GBHHBRAAEYDBFJ-GOSISDBHSA-N 453.586 1.385 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1539072319 PIGJNVHLQTUVDG-IBGZPJMESA-N 462.620 1.712 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1539205957 KTJIBTDPTFKEDH-WBVHZDCISA-N 479.990 1.834 30 10 JDEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1539216963 YIKGKZBPAISATE-QGZVFWFLSA-N 468.583 1.968 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCNS(=O)(=O)CC)CC1 1539434403 LAIBNVZHKHRAEX-UHFFFAOYSA-N 482.614 1.420 30 10 JDEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1539785947 GQPNDVXTHDZPED-UONOGXRCSA-N 450.956 1.931 30 10 JDEE C[C@@H](CC(=O)Nc1cc(C(N)=O)ccc1N1CCCC1)/N=C1/NS(=O)(=O)c2ccccc21 1539886087 BUANTPIQDCHTCK-AWEZNQCLSA-N 455.540 1.842 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCn2c(nnc2-c2ccccc2)C1 1540861953 MVFCWCXGOLDBIH-UHFFFAOYSA-N 477.573 1.777 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1540867613 BGDGVTPZEWTCMM-UHFFFAOYSA-N 491.552 1.798 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1540871345 JLRDDAPGKVSYHK-UHFFFAOYSA-N 456.595 1.993 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(C1)OCc1ccccc12 1540898032 YISGGKSLUKCJTP-KKSFZXQISA-N 495.627 1.125 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC(N(CC)S(C)(=O)=O)CC2)nnc1C(C)(C)C 1540909040 VSQKPZVDOWMXMM-UHFFFAOYSA-N 461.654 1.427 30 10 JDEE CC(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1541630013 ICIBKBDVLXIEBV-UHFFFAOYSA-N 453.547 1.118 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1588059264 KYSLMGWMKAVSHN-RBUKOAKNSA-N 494.614 1.602 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1588194520 WUVRJBYVAIDKIT-SQJMNOBHSA-N 497.621 1.996 30 10 JDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC(=O)N[C@H](C)CC)CC1 1588806072 FNVUTASSDBHMID-GOSISDBHSA-N 486.646 1.298 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1588864235 ARCPJEIUGNHMHR-IBGZPJMESA-N 452.559 1.632 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@@H]2COCCO2)CC1 1588967776 AXNLKTACBUBGTH-NJDAHSKKSA-N 473.618 1.968 30 10 JDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1593660558 PJVCGNAXMJLIGF-UHFFFAOYSA-N 458.588 1.796 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC(=O)N1CCOCC1 1593833920 GMHRBSJUKFFMBQ-UHFFFAOYSA-N 482.994 1.243 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1595569345 FNQRNDONXPBYRY-QGZVFWFLSA-N 464.492 1.870 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1595659199 VEKLNXZYYHLXPL-FQEVSTJZSA-N 481.601 1.489 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCC(=O)NC)C1 1595715310 VFRFIEDZAPWBOL-KRWDZBQOSA-N 465.558 1.982 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(Cc2csc(C)n2)CC1 1595784076 BLRLZQPQEXWCCP-UHFFFAOYSA-N 475.644 1.972 30 10 JDEE CS[C@@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1620199355 HTYHXMYRWFRVCS-YJBOKZPZSA-N 464.617 1.871 30 10 JDEE COc1ccc(C2=NO[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)cc1C 1633758546 FYNFUQSZGAXCKR-MAUKXSAKSA-N 456.524 1.852 30 10 JDEE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 1646094724 ARBRVONRJHWLLH-IBGZPJMESA-N 455.540 1.927 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1689930210 MVUCQFUCCMDYAR-ZWKOTPCHSA-N 480.635 1.156 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689986469 QOPCYKLIRJFFRU-OALUTQOASA-N 454.556 1.863 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCNC(=O)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1689992867 QFURNSGDVQTRFH-JOCHJYFZSA-N 492.605 1.629 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1690045037 DYTSTRBRHFORRV-REWPJTCUSA-N 460.582 1.961 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OC(C)C)nc2)CC1 1690110171 ALNUOYTYJOKUQZ-UHFFFAOYSA-N 460.542 1.911 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCn2c(C)nc3ccccc32)CC1 1690137376 WUYDSRKKOYHTQN-UHFFFAOYSA-N 476.585 1.740 30 10 JDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](CNC(C)=O)C1 1690166130 VYPXWCNQNDXDII-GOSISDBHSA-N 457.556 1.424 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1690236417 MKVISTQQPJYKLQ-MJGOQNOKSA-N 482.651 1.648 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC1CC1 1690245635 LAYAGDQIIWLORG-QYZOEREBSA-N 453.609 1.829 30 10 JDEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(=O)N1CCOCC1 1690454224 YZZOXRQJONQAKH-UHFFFAOYSA-N 461.588 2.000 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1690484987 IMDISGWCMLJFQX-NHCUHLMSSA-N 495.694 1.182 30 10 JDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1690583602 QPTAWQRBIIWWNN-RTBURBONSA-N 462.620 1.897 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCCN(S(C)(=O)=O)CC2)cc1 1690677998 HQIZEOAPTIZFCM-UHFFFAOYSA-N 488.614 1.599 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCS(=O)(=O)CC)C1 1690697488 WRZWMWDALGEDST-HNNXBMFYSA-N 458.544 1.810 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1690725623 WTMKJWIPGBBOAF-JOCHJYFZSA-N 460.604 1.166 30 10 JDEE COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](OC)C2)CC1=O 1698077969 FCOFSQGKJAWUBK-PZJWPPBQSA-N 468.558 1.839 30 10 JDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2OC)CC1=O 1698085090 GEWYEKGKEURFEJ-WOJBJXKFSA-N 454.531 1.163 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)nc(N2CCCC2)c1 1705494932 IMARPBYVGVCLQE-AZUAARDMSA-N 487.630 1.421 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@]2(O)CCN(C)C2)c1 1705503877 HLEPCOZXLMWBCE-LOSJGSFVSA-N 482.585 1.053 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1705563137 RERPNIPBVFERLY-KRWDZBQOSA-N 471.004 1.660 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705580317 HUWMYNZZRZLWSD-SFHVURJKSA-N 493.593 1.029 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)N(C)Cc1ccccc1 1705589354 PNDDHLHLDVGSKM-SFHVURJKSA-N 456.572 1.010 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2nsnc2c1 1705598497 KSVWLPNEEBSWTO-IBGZPJMESA-N 485.595 1.127 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC=C)cc1 1705613187 XAPMTJKLZMQQAY-FQEVSTJZSA-N 459.572 1.684 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1705642880 KGQZTNFWBSESGG-FCQUAONHSA-N 495.971 1.792 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCNS(=O)(=O)CC)CC1 1705646950 URSGXGMHXMMVSE-UHFFFAOYSA-N 479.006 1.504 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1705649031 HTZYHDRCVUPCSE-LJQANCHMSA-N 494.596 1.414 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1705677354 LKUWLEHPGVAWDL-OAQYLSRUSA-N 462.547 1.928 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1705693592 IHEUCOMJPPRFCY-WOZUAGRISA-N 488.633 1.863 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1705735599 BIQJCXYYFCHQTP-DLBZAZTESA-N 457.531 1.893 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705906886 RSZMSFHQQQOYQJ-UHFFFAOYSA-N 476.603 1.328 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1705932087 KQZZUIGXIPFGGY-AZUAARDMSA-N 462.620 1.431 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)NCCC)CC1 1705936547 SVPKNSXMONGPLG-GOSISDBHSA-N 453.609 1.863 30 10 JDEE Cc1cc(NC(=O)CN2CCN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)N(C)C)CC2)no1 1707308079 FMCPUKRAXSRTRG-UHFFFAOYSA-N 491.556 1.352 30 10 JDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1709942852 HCIFWZWZSHNCBA-GOSISDBHSA-N 456.572 1.876 30 10 JDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1722350298 TXDMJGMSRKYNBP-UHFFFAOYSA-N 463.542 1.587 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1722361329 HENDOUIPVFPYRI-SFHVURJKSA-N 486.985 1.850 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N(C)C)CCOCC1 1722384959 WIPPGFPBNIQFHY-HXUWFJFHSA-N 486.617 1.770 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc(C(C)(C)C)cs1 1722422934 VLYZNGIIFQQNDJ-CQSZACIVSA-N 454.622 1.777 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1722432874 HYHNZQGIMJYNNM-XMMPIXPASA-N 468.558 1.204 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722491060 HBCLKAHKYWDEHS-VJANTYMQSA-N 471.624 1.453 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCC1 1722657364 ZPOPUDUHXORFJP-FQEVSTJZSA-N 486.598 1.590 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1722723637 BEWZFSPUMAHNHZ-UHFFFAOYSA-N 498.609 1.698 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1722730195 LBSXEGVSCDBVQA-QFIPXVFZSA-N 477.635 1.042 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@@H]2CCOC2)CC1 1722730543 VULMVOGCYYJKCM-HXUWFJFHSA-N 462.620 1.993 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC1(O)CCOCC1 1723603782 HGXKTRVIXFOMMM-UHFFFAOYSA-N 467.574 1.546 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1740617624 UONCXCHDZXDHFP-NYVOZVTQSA-N 494.639 1.526 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740620732 RAGSUXGHQXPCFR-LJQANCHMSA-N 473.599 1.683 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1OC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740623216 PYZCGQHRKRIYAO-JKSUJKDBSA-N 497.499 1.803 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1740623352 RWFJWPDZMMAJEM-OALUTQOASA-N 464.636 1.365 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1740627599 RHYZCCJFLPZADS-MSOLQXFVSA-N 460.556 1.474 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1740704053 JEWGEPNQZYIOBX-UHFFFAOYSA-N 492.605 1.899 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCN2CCCO)CC1 1740708495 RGSXQPMORKCFFH-NRFANRHFSA-N 470.643 1.743 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1740798822 BRVUMVVQTHHFCP-TZIWHRDSSA-N 462.639 2.000 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H]1CCCOC1 1740959924 HIQKOLKILHNJDM-GOSISDBHSA-N 454.579 1.617 30 10 JDEE C=CCNC(=O)Cn1c(N2CCCN(Cc3ccc(C#N)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1740965766 SJOUDSQTAYYFKH-AREMUKBSSA-N 493.612 1.816 30 10 JDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1748752387 WEMWDSMAOGISHC-OAQYLSRUSA-N 452.559 1.851 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC(=O)N(CCOC)C1 1748788606 RMGPNWBRZJZKHY-RTBURBONSA-N 474.606 1.957 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1748805962 YPPRPAHQBRWETA-OPYAIIAOSA-N 468.645 1.841 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1748809441 SKGHSVHDZNROPQ-DOTOQJQBSA-N 478.571 1.633 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1748810386 VKKAPDZOGYASKU-QGZVFWFLSA-N 492.001 1.760 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O)[C@H]1CCS(=O)(=O)C1 1748811473 HRMYSKYQJZWRLW-FPOVZHCZSA-N 496.568 1.450 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C)Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1748820567 DWPITWBGAKWHGC-QZTJIDSGSA-N 475.640 1.968 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1748820742 IHSJGGTXNMKXGO-VQTJNVASSA-N 458.584 1.735 30 10 JDEE 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1301124680 JWXNSQJUXUVTMK-FPOVZHCZSA-N 495.694 1.039 30 10 JDEE C=C[C@H](CO)NC(=O)C1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1301292581 ZWKHHVITFIXVFT-MRXNPFEDSA-N 454.549 1.505 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1301435987 FCMBDDNZIYOQFA-LJQANCHMSA-N 471.587 1.792 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(c2cnn(C)c2)CC1 1301490057 KHECVIQXKODORF-UHFFFAOYSA-N 470.965 1.969 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(N3CCCC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301519063 MDOIHFPAUUUOAG-QHCPKHFHSA-N 460.579 1.212 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2ccco2)CC1 1301578927 KSJVRAAETRPHAO-UHFFFAOYSA-N 458.544 1.440 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1358920305 WTBSLKOVJBTVHI-CRAIPNDOSA-N 477.566 1.841 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1358959850 QWSHCFVCUJVKCP-JXFKEZNVSA-N 465.963 1.426 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCN1CCC[C@@H]1CO)[C@H]1CCS(=O)(=O)C1 1358964282 WTXWJGSWBPBJAK-NJYVYQBISA-N 479.647 1.036 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1358966259 KYHJRZUTZZKKRN-HXUWFJFHSA-N 485.610 1.627 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1nc(C(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1358966392 OBCNZQAYWSYABQ-INIZCTEOSA-N 490.655 1.830 30 10 JDEE C#CCN(c1nnc(COCC)n1CCNc1nccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1358967690 QEPFIHUDOZBKCR-CQSZACIVSA-N 487.508 1.362 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCn2c(C)nc3ccccc32)CC1 1359029081 OIKADGSDINXQNK-GOSISDBHSA-N 484.630 1.392 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ncc(CC)s2)CC1 1359041071 MOWBLCUFGBDHFL-HNNXBMFYSA-N 493.659 1.116 30 10 JDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1359057266 WBBYUKJWUTUMTM-YADHBBJMSA-N 476.691 1.770 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1359126533 SDCDCWMBQZIOID-ZDUSSCGKSA-N 467.514 1.829 30 10 JDEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359211819 PLSSBHTZXHYYSY-SFHVURJKSA-N 468.558 1.854 30 10 JDEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359228418 CFTCXPOQVVRAOP-UHFFFAOYSA-N 460.604 1.696 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1359328363 AYSIAHYSCCJDHM-CQSZACIVSA-N 482.404 1.975 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1359334710 OKGYNZSZVAUUII-HKUYNNGSSA-N 459.572 1.215 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1359343698 YSWPWHGPNRJYSP-ROUUACIJSA-N 482.676 1.682 30 10 JDEE C=CCOC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)C(=O)OC 1448484797 ZRBBNOBDHWKZNZ-LJQANCHMSA-N 452.529 1.150 30 10 JDEE C=CCOC[C@@H](NC(=O)c1c[nH]c2ccc(I)cc2c1=O)C(=O)OC 1467516970 XWRGUSUODJDWTG-CQSZACIVSA-N 456.236 1.607 30 10 JDEE CCN1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)OC)CC2)CC1 1502339561 AFBNGXLUTYBTJH-FQEVSTJZSA-N 480.617 1.979 30 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1.634 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CCN1CCCS1(=O)=O 1507711800 IBCZUMJTTOOBGU-UHFFFAOYSA-N 453.515 1.269 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1507732372 UTWXMVYGEUGLKM-RBUKOAKNSA-N 473.599 1.412 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507743418 BEFDIAQOGPNZSM-INIZCTEOSA-N 477.616 1.057 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1507751290 LZELHIQWCIOGRG-UZLBHIALSA-N 464.617 1.032 30 10 JDEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1507751566 KJTGAYKHLYRNTN-UHFFFAOYSA-N 480.598 1.503 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(CC(F)(F)F)C1 1507764454 MLGLXACUEXJVCQ-HDMKZQKVSA-N 462.542 1.765 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507808867 VMCTUPYFCAWQAH-KSZLIROESA-N 476.578 1.504 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507858265 AXSRCOKGOZVLLI-UHFFFAOYSA-N 481.022 1.748 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cc(OC)c(OC)cc1C 1508072756 SAXXCWPJVWKGLD-UHFFFAOYSA-N 456.547 1.778 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1508093478 VAPDZKHYBSDYOP-UHFFFAOYSA-N 464.574 1.836 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@@H]1C 1508139163 DIFUZYIVCIOHLU-HNNXBMFYSA-N 485.570 1.252 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1539053302 OXLYPKCMQVJLLY-SFHVURJKSA-N 465.624 1.420 30 10 JDEE C#CCCCn1c(-c2cccc3cccnc23)nnc1N1CCN(CC(=O)NCCOC)CC1 1539108974 HAOYVDSOLYZYLO-UHFFFAOYSA-N 461.570 1.791 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1539220526 KIBOXKFACCYRJT-ZWKOTPCHSA-N 457.556 1.303 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1F)[C@@H]1CCS(=O)(=O)C1 1539222587 WRIDXXSYAWQLIA-QZTJIDSGSA-N 480.587 1.303 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1539229897 JJBCTGUHQMQNJR-UYAOXDASSA-N 460.556 1.208 30 10 JDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1539230664 ORZWGCBDENYCJH-HXUWFJFHSA-N 482.610 1.824 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(N(C)C)cc2)CC1 1539428054 MKBOQQDKEIQXBF-UHFFFAOYSA-N 458.570 1.989 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)CC1 1539469755 GFUOFLPZRUTHLR-UHFFFAOYSA-N 475.597 1.893 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2csc(C)n2)CC1 1539487949 BWGQUOLNHLIOBP-UHFFFAOYSA-N 455.588 1.374 30 10 JDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1539513044 KWSSXDWUWUNZSJ-INIZCTEOSA-N 451.560 1.499 30 10 JDEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1539873844 FHUPHXMEBIRTNM-QFIPXVFZSA-N 468.620 1.661 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1n[nH]c(C)n1 1540133225 GUDOHLWTKYEEPY-LJQANCHMSA-N 486.602 1.473 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1540874713 PJCNGICDCUDNMF-NRFANRHFSA-N 469.638 1.047 30 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C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(C)(=O)=O)CC1 1589543939 CZDFPCLOOYMFCF-JZXOWHBKSA-N 472.633 1.175 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccn(CC)c1=O 1595219256 SRAQMNBKFQEGSP-SFHVURJKSA-N 462.576 1.019 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c[nH]nc2c1 1595219266 SRDSTUXSIWUVCI-FQEVSTJZSA-N 471.587 1.908 30 10 JDEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1595250375 CNIOWBTUNWROMR-KRWDZBQOSA-N 457.560 1.845 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1595475814 GFVRPWPSGXFXDJ-OYLFLEFRSA-N 499.547 1.674 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CO[C@H]2[C@H]1OC[C@H]2Nc1nccc(-c2ccco2)n1 1616129311 KULCJVFSPSLTIN-SMOSDQRPSA-N 453.480 1.533 30 10 JDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(C(=O)N(C)C)c2)CCOC1 1616260746 FMTDSTRDIBHTJJ-CVDCTZTESA-N 454.531 1.409 30 10 JDEE C=CCCCN(CC)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1627338939 IGCQJZRSQLFIFL-UHFFFAOYSA-N 451.589 1.972 30 10 JDEE C=CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1)C(=O)OCC 1632656447 QKKBCTKHOUPVNZ-HNNXBMFYSA-N 456.517 1.481 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCO[C@H]2C)c1 1689868404 FWKMYSDOCQARGX-CNVLFFCLSA-N 497.596 1.915 30 10 JDEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1689904237 OTZYINNKJXLUFF-UHFFFAOYSA-N 482.585 1.842 30 10 JDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCCn1cc(Br)cn1 1689946706 UYKIRKCDZRNHDO-CYBMUJFWSA-N 458.386 1.397 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1689989041 AOBWBRMXTHLYGB-VQTJNVASSA-N 471.583 1.011 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689990436 OHXMARWGNIAVNY-RTBURBONSA-N 492.623 1.273 30 10 JDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1690061180 SKVZZDPBLVPPNT-JQVVWYNYSA-N 465.620 1.594 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2csc([C@@H](C)OC)n2)CC1 1690123993 BYRXKQBBVQCKHE-HZPDHXFCSA-N 464.617 1.148 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1690143822 CQDYDYUKFHIQTH-YADARESESA-N 484.988 1.756 30 10 JDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(C(C)=O)CC1 1690163931 WEEFNGMNARZXGO-UHFFFAOYSA-N 451.560 1.346 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC[C@H]1CC 1690206671 WYSMNQLOKOQYOF-ZRCGQRJVSA-N 478.663 1.868 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1690327894 ADTZWKFNULTGJV-AWEZNQCLSA-N 469.955 1.876 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@H]1C 1690624644 ZARALGHYVOYVPI-WOJBJXKFSA-N 494.637 1.946 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1690659155 LLOQIBAKQJGGCK-UHFFFAOYSA-N 487.586 1.165 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](n3nc(C)nc3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690677401 WCWQSGAACCWIBI-WMZHIEFXSA-N 472.594 1.671 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1690714411 MFFROECCTCMIHG-GOSISDBHSA-N 489.598 1.781 30 10 JDEE C[C@@H]([C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCC1(O)CCOCC1)S(C)(=O)=O 1691024146 CBLDJSRMKMSHCQ-MSOLQXFVSA-N 491.614 1.918 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1692663456 FLJOEBOTBLAKRW-INIZCTEOSA-N 459.576 1.551 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCC(O)CC1 1705476889 GQPUOVMNFPOHRM-ROUUACIJSA-N 474.631 1.351 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2cccs2)c1 1705505064 HXTFEPPKPGVHBR-SFHVURJKSA-N 491.577 1.777 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1705559920 BXEQNUKBOAEIGW-NZSAHSFTSA-N 496.536 1.713 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCO[C@H]1C 1705574853 PFNIPLWTOJEKPX-JTSKRJEESA-N 456.572 1.159 30 10 JDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1705641736 QYSUAJCAUNTCOX-QHCPKHFHSA-N 479.673 1.853 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(C(N)=O)CCCC2)CC1 1705641976 AWJLDHIALRQEOW-UHFFFAOYSA-N 455.588 1.071 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCn2cc(C)cn2)CC1 1705645188 NGXWFILKXRLWNB-DEOSSOPVSA-N 469.590 1.490 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@](C)(O)CCOC)CC1 1705647763 LFNPFDUYAZSKCA-RUZDIDTESA-N 493.568 1.347 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)CC1 1705659211 OQONTCCYVMYHHD-UHFFFAOYSA-N 467.555 1.447 30 10 JDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1705780350 GBPWACQIKDQJML-XUTLUUPISA-N 462.514 1.854 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1705899785 HBARZFNPBMPIGI-LJQANCHMSA-N 468.606 1.109 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](COC(C)C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705909293 SMDAMTNTRSJTSJ-CEXWTWQISA-N 492.621 1.981 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCN(CCOC)C(=O)C1 1705931280 LKWQZXPRZFCEHV-UHFFFAOYSA-N 473.555 1.587 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1705937140 JZVXBHAKDGDXCC-GOSISDBHSA-N 457.560 1.940 30 10 JDEE CC(=O)N1CCN(CCn2c(CNC(=O)c3cccs3)nnc2N(C)[C@@H](C)CC#N)CC1 1706004212 FYJDVYJVJHKATB-INIZCTEOSA-N 458.592 1.172 30 10 JDEE Cc1ccn2cc(Cn3c([C@H]4CN(S(C)(=O)=O)CCO4)nnc3N(C)C[C@H](C)C#N)nc2c1 1707313571 FKNDWQNSQHKIKW-SJLPKXTDSA-N 472.575 1.211 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)CC=C)[C@H]1CCS(=O)(=O)C1 1722360312 SSRMGQZIOMBXQJ-IBGZPJMESA-N 473.580 1.044 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(C)(C)O)c1)[C@@H]1CCS(=O)(=O)C1 1722366585 IDLFMPULGZIKEX-MOPGFXCFSA-N 471.583 1.132 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722382572 MUGTXVXTDNUFJK-ICSRJNTNSA-N 472.640 1.911 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCS(=O)(=O)N1CCSCC1 1722399395 ODXVYDXZLANXTK-UHFFFAOYSA-N 458.613 1.105 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC2(O)CC(OCC)C2)CC1 1722450618 NTNQQFADCCVQIY-UHFFFAOYSA-N 485.560 1.892 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCCS(C)(=O)=O 1722471637 LWPWWWQITGNDBC-HSZRJFAPSA-N 484.582 1.245 30 10 JDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722494720 SEPVBRSZCQFBRH-OAHLLOKOSA-N 467.368 1.309 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC(N)=O 1722505256 JNYUBKPRGXNDKU-XFQAVAEZSA-N 465.558 1.873 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1722519138 LBYOROPRZAESKD-CQSZACIVSA-N 451.553 1.160 30 10 JDEE C=C(Cl)Cn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722558761 XQKSMZGIOPIGHI-JOCHJYFZSA-N 480.997 1.342 30 10 JDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722614604 RKKBYTOJTPTPAZ-INIZCTEOSA-N 471.587 1.628 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1722752183 YCLQQOBXDYUDJD-KDURUIRLSA-N 493.655 1.888 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(N2CCOCC2)CCSC1 1740558412 SOOMRTAVPLLOFA-VGOFRKELSA-N 474.656 1.935 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCN2CCN(C(C)=O)CC2)c1 1740563270 RRRXNFFJXFXXAL-UHFFFAOYSA-N 486.580 1.560 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740616095 SCXSYJXFOJOFTM-RTBURBONSA-N 462.620 1.015 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O)[C@@H]1CCS(=O)(=O)C1 1740625381 QGIHJTICPBFLQS-AZUAARDMSA-N 473.574 1.341 30 10 JDEE C#CCN(c1nnc(CC)n1Cc1ccccc1CN1CCC[C@@H]1CO)[C@@H]1CCS(=O)(=O)C1 1740626730 WFMHUUPCIOQWLT-FGZHOGPDSA-N 471.627 1.472 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1740661563 FGBMGSZVFPPUFE-HZPDHXFCSA-N 456.613 1.897 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1740698548 WTMVCWFMWWYQRF-UHFFFAOYSA-N 457.582 1.964 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1740704026 IOENIGAAPHGGSC-NSYGIPOTSA-N 483.569 1.468 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740767048 OPVAPVPFVHAETA-KSZLIROESA-N 488.680 1.495 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(C(=O)NC)C1 1740850203 DGZUHYLBSDWFRC-KKSFZXQISA-N 468.624 1.176 30 10 JDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1740869981 GEKYNTCCLXEKOE-GOSISDBHSA-N 458.588 1.973 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1C 1740941162 DDHZKEDZUQWNQH-HXUWFJFHSA-N 463.604 1.915 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@@H]2CCOC2)CC1 1740963865 ZLMOOERHCFTXJQ-QGZVFWFLSA-N 458.588 1.825 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1740990036 GKOQSSFDEOJMAX-FQEVSTJZSA-N 478.619 1.834 30 10 JDEE CC(C)NS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1741710384 BVGJNYLCYKZEOG-IBGZPJMESA-N 488.618 1.441 30 10 JDEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)c1 1742172333 CJWZCBPHSGTXOE-GOSISDBHSA-N 475.571 1.142 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nnc(C)s2)c1 1748692492 XRUXLLBADMXVOM-CYBMUJFWSA-N 488.599 1.153 30 10 JDEE COc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cc1F 1748736482 DIOCXWKKCGGZPC-HIFRSBDPSA-N 452.512 1.007 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCN(C(C)=O)CC1 1748957230 ZHRFYRUQNPYWFO-UHFFFAOYSA-N 474.993 1.857 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCCS2(=O)=O)n1 1748971633 XIDUIOCMAASVLA-QUCCMNQESA-N 476.603 1.232 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCCCN(C)C)cc2)CC1 1748987310 STZMJZUOYRBTRG-UHFFFAOYSA-N 462.602 1.813 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)NCC)CC1 1749142180 RSRJQQDVRYXOSY-MPJJRAAHSA-N 476.622 1.241 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1749368965 VESDGXXSCWOVJF-YDHSSHFGSA-N 497.662 1.988 30 10 JDEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1749400749 LZVNNKVAZMQTBW-ZWKOTPCHSA-N 478.594 1.894 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749652381 MPBNTWBALJWMNI-FQEVSTJZSA-N 459.348 1.869 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1749678133 WXJDHEREEQCUKL-OAQYLSRUSA-N 460.542 1.892 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ncccc2F)C1 1749711790 CLBIJPLQVFYLOE-AEFFLSMTSA-N 496.565 1.005 30 10 JDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)[C@H](C)C1=O 1750836425 BLMMGOFITNBSNF-MRXNPFEDSA-N 459.576 1.059 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1CC1(S(C)(=O)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1760189516 VCAOHEAYYHLBTO-KRWDZBQOSA-N 454.618 1.530 30 10 JDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCNS(=O)(=O)c1ccc(C)s1 1760206904 QMYLYJMGDWCEMZ-UHFFFAOYSA-N 471.612 1.561 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1 1760241621 FNUCNSGXSJWMBB-HXUWFJFHSA-N 487.561 1.172 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCS(C)(=O)=O)CC1 1760259843 QMCQECKHFRTBGO-IBGZPJMESA-N 494.662 1.583 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCNC(=O)C2CCC2)CC1 1760271664 FYONDELYNFYEIT-UHFFFAOYSA-N 463.586 1.536 30 10 JDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1760277884 IDCOECMEGSNGJW-UHFFFAOYSA-N 453.616 1.841 30 10 JDEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760343003 UJNRXYLADZMYKE-UHFFFAOYSA-N 458.563 1.757 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1760346319 RYXMMNNDOHJMSJ-IBGZPJMESA-N 494.593 1.661 30 10 JDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1760422235 JSGWGQCDCCVMFW-UZLBHIALSA-N 451.597 1.730 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1760520939 DWJWPKPKHTYMLO-SFHVURJKSA-N 457.579 1.150 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1760526402 NDQGBIQNGSSDGK-UHFFFAOYSA-N 480.548 1.430 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1760565795 FHLRPRIKXRIPJO-SJORKVTESA-N 455.650 1.793 30 10 JDEE CCCNC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1766231857 DPPALBPVWVSGEU-PMACEKPBSA-N 486.598 1.546 30 10 JDEE CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1766509918 BESPHYAEDNRLJK-ZJOUEHCJSA-N 489.598 1.794 30 10 JDEE CC(C)N1C[C@@H](C(=O)Nc2c(C#N)nnn2-c2ccc(I)cc2)CC1=O 1870150988 KNOJGZUCJGHFDW-NSHDSACASA-N 464.267 1.939 30 10 JDEE C=CCn1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(=O)cc1CN1CCN(CCO)CC1 1870589883 MLRCPAYZPHUSHJ-UHFFFAOYSA-N 486.525 1.498 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)NCCCN(CC)CC)nc1C 1872649326 UNHCRWPIEXQYGU-UHFFFAOYSA-N 494.574 1.585 30 10 JDEE COc1ccc(OC)c(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 1874273865 LQVUTLLKMYKBIH-LOLZCCBGSA-N 460.560 1.869 30 10 JDEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NCC#CCN2CCCCC2)cc1 1890841738 QPMOPDVHCPJSEW-UHFFFAOYSA-N 451.589 1.189 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256615933 YNJDKHVJRYEPIL-CHWSQXEVSA-N 453.370 1.429 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267098440 ZGNRYCQIEMAWCV-PXTGODKCSA-N 468.385 1.862 30 10 JDEE Cn1cc(C(=O)NC[C@@H]2COCCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267130005 IWZYDTCVRRFHKP-CQSZACIVSA-N 450.345 1.085 30 10 JDEE Cc1nc(C(=O)NC2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267165472 GBHCVRFTNUHFIM-UHFFFAOYSA-N 467.353 1.555 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267170371 UVXKDGYKLDLADP-ZZQWGBOMSA-N 466.369 1.681 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267349929 BFQQRAFUDPUZBJ-SZNDQCEHSA-N 465.381 1.669 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2267372377 NJEUPGSUJKDYGV-KBPBESRZSA-N 488.437 1.696 30 10 JDEE COCC[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)NC(=O)OC(C)(C)C 2267542718 WHMOTBWMOQQMFY-CQSZACIVSA-N 452.361 1.379 30 10 JDEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(S(=O)(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2267704231 KHGDDHYSFFYNCV-QKKBWIMNSA-N 465.381 1.669 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H]2OCCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2281925891 IKUOZBVIQARQOU-HZPDHXFCSA-N 462.356 1.559 30 10 JDEE CCn1cc(C(=O)N2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282049015 STEKLXFGLMPABZ-HUUCEWRRSA-N 464.372 1.302 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CCO1 2282051050 FTXCBZLXITXCSS-HNNXBMFYSA-N 465.331 1.886 30 10 JDEE COc1ccc(S(=O)(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282503516 BGGVRKZGPSGRDD-CQSZACIVSA-N 486.396 1.158 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCOC[C@H](NC(=O)OC(C)(C)C)C1 2282595301 RWVTWOXQOCPQCQ-OAHLLOKOSA-N 464.372 1.568 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282672601 KWFHRAKILOLMKV-JSQNDZKTSA-N 460.340 1.186 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 2282853471 DHHZXKABCAZJBI-NRFANRHFSA-N 484.428 1.645 30 10 JDEE CO[C@H]1CN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1NC(=O)OC(C)(C)C 2282860644 DRKAYQDGHQNNIT-ROUUACIJSA-N 482.408 1.898 30 10 JDEE C[C@H]1CN(Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282868152 JOMFRVZMAASPBU-FXAWDEMLSA-N 474.436 1.908 30 10 JDEE CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2343638530 DSYYMWKQODBZFY-HUUCEWRRSA-N 450.320 1.805 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 2359280873 ZOTKRWQULFLGAJ-LXTVHRRPSA-N 461.372 1.536 30 10 JDEE CN(C(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CC1(C)C 2361513820 JTYQYWBXXKDQOS-AWEZNQCLSA-N 463.388 1.832 30 10 JDEE Cc1scc(C(=O)N2CC(C(N)=O)(N(C)C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2369517277 PQNRQXWTYOGIJF-UHFFFAOYSA-N 479.408 1.903 30 10 JDEE C/C(=N\Nc1nc(SCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1)c1ccncc1 20835700 PWPHAGYCHWOCEN-FSJBWODESA-N 460.545 1.804 30 10 JDEE C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)c1C 59829904 IDWQAFQHIZQCCW-BHGWPJFGSA-N 457.539 1.985 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(OCC(=O)Nc3cccc(OC)c3)cc2)CC1 514771771 DMRSJGGDBIHBAX-UHFFFAOYSA-N 466.538 1.773 30 10 JDEE N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CC1 729668954 GRDGTTMNEAKAHD-UHFFFAOYSA-N 485.525 1.805 30 10 JDEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cn(CC(=O)O)nn1 757374840 HWGBBFOCAKAPRM-JOCHJYFZSA-N 473.489 1.910 30 10 JDEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)N1CCO[C@@H]2CCCC[C@H]21 919014785 ZFPHVCUAONTHKY-FHAGJXEFSA-N 467.522 1.865 30 10 JDEE C=CCn1cc(C=NNc2nc(SCCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n[nH]2)cn1 1084293975 YEMUIZVMEAQPII-UHFFFAOYSA-N 465.499 1.638 30 10 JDEE CC(=NNc1nc(SCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1)c1ccccn1 1084563896 QIECHFCFOBYBOM-UHFFFAOYSA-N 460.545 1.804 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1286389067 FAKVFDOGLNLGQB-SFHVURJKSA-N 452.540 1.727 30 10 JDEE C#CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1286391133 CTIDSJHCSIGSSW-QZTJIDSGSA-N 497.618 1.250 30 10 JDEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1286457814 WOYJBTPQECLTQB-HRAATJIYSA-N 482.990 1.707 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(COC)CCOCC2)CC1 1286485217 XQVVHBJAETVWHS-UHFFFAOYSA-N 464.570 1.927 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ncnn2C(C)(C)C)CC1 1286488936 YXFSGOGUTCCFBG-RUZDIDTESA-N 498.632 1.679 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286562010 IPEGTKGOROTAFS-ZFMNYDKASA-N 497.662 1.844 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1286781938 FKWMSDLHMALGNA-UHFFFAOYSA-N 458.526 1.849 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1286790183 JTRMKSBPCOEXNL-UHFFFAOYSA-N 484.586 1.821 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)cc1 1286795353 AKTWQLIXCZNKTI-IEBWSBKVSA-N 459.572 1.856 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1286813962 GTSWEDATVAREBS-STQMWFEESA-N 453.487 1.173 30 10 JDEE C=CCSCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1286836117 HTHIAISJNGJNIJ-HTAPYJJXSA-N 478.619 1.711 30 10 JDEE CC(=O)N1CCC(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 1286853688 DFFLJPTTWCDPQF-HXUWFJFHSA-N 485.976 1.849 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCCC2)CCO1 1299133295 GQRARVOYVYDADA-NHCUHLMSSA-N 451.575 1.888 30 10 JDEE Cc1ccc(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cc1S(N)(=O)=O 1300413873 BLZQPUZGUOWBLL-UHFFFAOYSA-N 450.524 1.867 30 10 JDEE C#CCCCn1c(N2CCC(OCC(N)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300424647 KHHUMGCEMBNIKA-CALCHBBNSA-N 460.579 1.933 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCN1CCCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1300479864 TZNKROSIPLFQFM-PMACEKPBSA-N 499.641 1.817 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1300488159 BETRAMDMKXPNLY-HXUWFJFHSA-N 465.579 1.936 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1300488302 QGKXSYBLQXGAQT-SFHVURJKSA-N 452.540 1.058 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1CCN(CCN(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1300491308 GVBNQEVCOSHTKV-JOCHJYFZSA-N 499.685 1.549 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccccc1CN1CC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1300495911 KSSCMXPEKJFSQC-PKTZIBPZSA-N 485.654 1.718 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(OCC(N)=O)c1 1300535621 KSIZJPTWVVYLNU-UHFFFAOYSA-N 484.564 1.437 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1300710269 YVTBSPQBSGRRPI-LJQANCHMSA-N 470.549 1.246 30 10 JDEE C=C(Br)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(OCC(N)=O)CC1 1300843851 GXXYLBKBIWCNTD-UHFFFAOYSA-N 488.346 1.973 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1300871725 CJWTUXUCCQEJAB-BJLQDIEVSA-N 479.589 1.774 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCC(C)CC1 1301405596 TZGBWEDXHIPHBO-VQTJNVASSA-N 466.652 1.910 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](COC)C1 1301477583 CFUJIQKGOSYWOI-KRWDZBQOSA-N 462.938 1.015 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1301483910 YCSVXIVDQHSLBL-HNNXBMFYSA-N 458.519 1.541 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2(O)CCOC2)C1 1301543441 LUPJMAQPXJLVMR-HNAYVOBHSA-N 452.353 1.979 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn(C)nc1-c1ccccc1 1301808362 CSFOQSQRUMJDJJ-IBGZPJMESA-N 483.598 1.995 30 10 JDEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1)C(C)C 1315196897 FJGJBNBHNCJSOJ-NRFANRHFSA-N 451.575 1.888 30 10 JDEE COc1ccncc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1315668717 CSTBBKNNYKPLFA-UHFFFAOYSA-N 474.569 1.915 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C1CCCCC1 1358890193 MIXNPJDKXUCFEZ-IEBWSBKVSA-N 452.625 1.333 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(O)CCOC2)c1 1358901089 ZKZIUEOPPYVFSI-DEOSSOPVSA-N 468.558 1.404 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1c(Cl)cccc1OC)[C@H]1CCS(=O)(=O)C1 1358955743 SOQABGGTNSBQTI-HNNXBMFYSA-N 479.990 1.753 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CC[C@@H](C(F)F)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358960866 NECFLKILKGKKNA-MOPGFXCFSA-N 494.568 1.323 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCN(CC)S(C)(=O)=O)CC1 1359037688 SUDKAVQKDHGUFZ-UHFFFAOYSA-N 450.634 1.357 30 10 JDEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1359126115 GGZVMFCVFQNPAL-SFHVURJKSA-N 476.965 1.405 30 10 JDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1359202627 YLIKZTPJQNWCQU-LJQANCHMSA-N 471.606 1.526 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1Cl 1359240250 JQUXNYNMWXKDHU-KRWDZBQOSA-N 455.968 1.966 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@]2(CCC(=O)N2)C1)C(C)C 1359265732 KYSXMZXAZLWAOE-GLDPYIMESA-N 455.607 1.787 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1359291546 VDZHIVVMOKIUFW-KRWDZBQOSA-N 477.525 1.894 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1359302374 FFYRBEWZCIHGIJ-SBUREZEXSA-N 453.547 1.670 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(n2)CCCC3)C1 1359314283 YPINZAYAGRBVND-VQIMIIECSA-N 460.604 1.992 30 10 JDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 1464072078 HBVHEPIGKNNFHD-MRXNPFEDSA-N 456.524 1.865 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507639208 WLLKVBBOTNOMSV-IRXDYDNUSA-N 469.608 1.602 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2COc3ccccc3O2)CC1 1507715932 KFSXAJHNWWFXMM-IBGZPJMESA-N 452.559 1.792 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2OC(C)C)CC1 1507731624 NKBKRGDFNINNBU-FQEVSTJZSA-N 457.600 1.771 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CC[C@@]3(CCOC3)O2)CC1 1507733862 MZROJTXWHAEKQE-CPJSRVTESA-N 486.617 1.500 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1507738700 VZMIACRYMYHNAT-RTBURBONSA-N 499.616 1.595 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(=O)(=O)CC)CC1 1507784247 HSEFSCFQNZAYGA-CYBMUJFWSA-N 481.438 1.492 30 10 JDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507935075 MOLKCUCTBIMTJC-HOTGVXAUSA-N 450.565 1.009 30 10 JDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1508062672 JRSUONUCSCXGHU-UHFFFAOYSA-N 471.587 1.638 30 10 JDEE C=CCn1c(N2C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1508068157 UGTIYWAXTGOHFS-SEPYTNNBSA-N 479.578 1.866 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1508086163 LZLOJEKSUMYMNT-QHCPKHFHSA-N 469.521 1.125 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1508095895 YYHVUYWETZJGOP-UHFFFAOYSA-N 480.495 1.760 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1508141214 UODIZYZWPHLFOA-INIZCTEOSA-N 477.591 1.782 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1scnc1C 1539072245 NSAQWYQWXDTWLQ-MRXNPFEDSA-N 452.606 1.816 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1539203476 QRKMASUCLPIYOG-HNNXBMFYSA-N 462.601 1.694 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCCC)c1 1539265451 GCSFEPFIVWXZOR-HXUWFJFHSA-N 453.568 1.441 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1539284037 FIYDSXONMWOLAR-UHFFFAOYSA-N 465.558 1.232 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cc(C)oc1C 1539326109 RXLSAJQQTPPCME-NZQKXSOJSA-N 489.598 1.191 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(C(F)(F)F)c1 1539415809 HEZSISILDYLELV-OAHLLOKOSA-N 457.478 1.728 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)Nc2c(C)cccc2C)CC1 1539431546 VHBGHTJUUUHERM-VWLOTQADSA-N 466.586 1.941 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1539630425 FBIKVOSFGMCVAD-ONTIZHBOSA-N 460.623 1.754 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1539683129 BAWNDFFVTIFGCD-DLBZAZTESA-N 452.625 1.939 30 10 JDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1540861978 NOIYTTGNCJLOBT-OALUTQOASA-N 460.579 1.128 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1540868089 RIDUVZGYIIIZCM-MRXNPFEDSA-N 457.535 1.372 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1540868878 VFCJNNNAWQHGCB-INIZCTEOSA-N 469.550 1.378 30 10 JDEE COC(=O)N1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1554548373 BNXKLHKMZOOUNS-QRWLVFNGSA-N 467.596 1.497 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOCC(F)(F)C(F)F)[C@@H]1CCS(=O)(=O)C1 1588049271 DGMYCQMBPPYAQH-CQSZACIVSA-N 478.472 1.222 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1588065443 YRSKTVKWBLDOOZ-FCHUYYIVSA-N 486.642 1.247 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1588181351 RZYLDYIGXBLPCD-FYYLOGMGSA-N 498.653 1.733 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2([S@](C)=O)CC2)CC1 1588733732 ZBCAQSBVWVOBOD-YTTGMZPUSA-N 475.018 1.528 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1588811263 DQWZAQDYGUDOBN-KRWDZBQOSA-N 450.465 1.922 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1588876853 LKFGGYNXHBVFMH-PTLVVNQVSA-N 457.575 1.875 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@](C)(CC)C1 1595551049 KXXIAGCHKWYYKW-SBUREZEXSA-N 478.594 1.894 30 10 JDEE COc1ccc(OC)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c1 1619306610 DEOJKLBORVPJSS-DJJJIMSYSA-N 452.512 1.396 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCC[C@@H]2CCCCO2)C1 1620170377 AQUHQUDNWWIDEC-ZWOKBUDYSA-N 470.571 1.402 30 10 JDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)CC2)cn1C 1637816264 DCOPWNBQKLZMIE-HXUWFJFHSA-N 457.556 1.601 30 10 JDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(C)C[C@@H](O)CN2CCOCC2)cc1 1652668644 CXSYBJDYWLYBCV-HXUWFJFHSA-N 455.559 1.538 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC3CCC(NC(C)=O)CC3)nnc12 1654621372 DGDYHMQTZWFMCK-UHFFFAOYSA-N 454.556 1.886 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N1CCOCC1 1689826949 XJTHRDVAESRWOL-BBWFWOEESA-N 466.633 1.481 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689982886 WOACSDVHXWNMEG-XXBNENTESA-N 496.630 1.000 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1690150849 XXAWESQKMBIMKH-ICSRJNTNSA-N 472.615 1.651 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCNS(C)(=O)=O 1690239109 RIGDJFYGOWPGMT-IEBWSBKVSA-N 497.643 1.315 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCNS(C)(=O)=O 1690251795 ZKVRNOWPTRFEJD-UTKZUKDTSA-N 473.603 1.483 30 10 JDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1690319799 YYICJZLGRLPJSL-UHFFFAOYSA-N 451.597 1.204 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1690673196 RGIUXBFKGJDXRQ-SFHVURJKSA-N 471.562 1.296 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@](C)(O)CCOC)C1 1690697504 WTPAUVBOVVZCNL-OSPHWJPCSA-N 468.558 1.761 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC[C@@H]1C 1690717602 KOMAKDKFGXWHOW-INIZCTEOSA-N 483.616 1.021 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCc2ccccc21 1691003230 DYPGWHXHYWVSES-KPFFTGBYSA-N 458.588 1.937 30 10 JDEE Cc1ccc(C(=O)NCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)cc1F 1693010147 CEAOAMFKEUTORX-LSDHHAIUSA-N 465.555 1.504 30 10 JDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1693507620 ASTCEVJYGZEPQT-UHFFFAOYSA-N 467.555 1.662 30 10 JDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1697713916 GCBGKTNDGMEOEV-QFIPXVFZSA-N 481.601 1.395 30 10 JDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCSCC2)c1 1698293545 HDYYLZQSFIXSFU-QGZVFWFLSA-N 462.601 1.126 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1705564852 RAHSVWAJYJONGM-FQEVSTJZSA-N 470.624 1.492 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705565320 HSSXPQKPBPICOS-MLHJIOFPSA-N 454.618 1.243 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CC[C@@H](C(F)F)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705569269 AIAIAPXLVSHUSA-MSOLQXFVSA-N 473.590 1.459 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCN1CCC[C@H]1CO 1705595698 CDVYTVQTSPMQIX-NRFANRHFSA-N 487.608 1.892 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1C 1705612248 CUSVOTNHPAGRMP-ICSRJNTNSA-N 461.588 1.846 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOc2ccccc21 1705613236 XOSCDCMMIRGXIC-YLJYHZDGSA-N 459.572 1.637 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)CN2CCOCC2)CC1 1705649810 FVSFUFZWMFZFGO-GOSISDBHSA-N 485.658 1.568 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CCC)C(=O)C1 1705700593 WBFFBGXUMFTLJV-NSHGMRRFSA-N 465.620 1.610 30 10 JDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705738705 HYFXVUTZWPGZMF-QHCPKHFHSA-N 453.547 1.671 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1705902869 LLPJDUQIPWNSGF-NSHDSACASA-N 478.522 1.594 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1705934053 ZLHRFQFVDZIWQM-UHFFFAOYSA-N 485.632 1.698 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1705936060 JEIKQSOMSDHNJE-KRWDZBQOSA-N 468.624 1.403 30 10 JDEE Cn1cc(C[C@@H]2CCN(c3nnc(COc4ccc(C#N)cc4)n3CCCS(C)(=O)=O)C2)cn1 1711253948 DPCVLBKLJRTUJJ-IBGZPJMESA-N 483.598 1.966 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1722366683 SBYNTCGMVFRSPN-HIFRSBDPSA-N 470.393 1.945 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722366988 LKJGQCNMOKSYPI-QZTJIDSGSA-N 484.644 1.156 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CC1(O)CCS(=O)(=O)CC1 1722376180 XWNQKWVWFCECGJ-UHFFFAOYSA-N 495.374 1.859 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1722442238 QKCFDPJFPUYTNK-OAQYLSRUSA-N 466.586 1.416 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1722556090 NSTYJOVJOMPIHK-ZWKOTPCHSA-N 491.058 1.301 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1722692540 PXVCBIYHWYDCAJ-HXUWFJFHSA-N 451.575 1.527 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722698240 WUUOGQOJYPHROQ-UHFFFAOYSA-N 491.600 1.080 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1722701335 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JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N(C)CCS(C)(=O)=O 1740955613 ACGXWWOMZSTPCT-UHFFFAOYSA-N 456.366 1.491 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1740963139 ALAFMUKHMOHXPL-UHFFFAOYSA-N 490.630 1.673 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](CC(N)=O)C1 1740994409 NMSUGOCBRFQVJT-GOSISDBHSA-N 470.599 1.974 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C(N)=O)cc1 1741128808 CWEVHMRTRUUCIZ-HNNXBMFYSA-N 466.571 1.981 30 10 JDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1748170735 CDGMBICHVCUXGT-ICSRJNTNSA-N 465.558 1.274 30 10 JDEE COc1ccc(Br)c(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCO[C@H]2C)c1 1748587643 ACNPVQGTRHCEPL-XBHMSOGKSA-N 478.347 1.985 30 10 JDEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1748815966 UYSZPTGWBKESBK-QZTJIDSGSA-N 498.609 1.584 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccc(N2CCO[C@H](C)C2)nc1)[C@H]1CCS(=O)(=O)C1 1748824081 IJJWETPCJQJTPL-QUCCMNQESA-N 488.614 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30 10 JDEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760133798 QEMDYMYAIUITJH-UHFFFAOYSA-N 452.559 1.930 30 10 JDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1760136786 BZFXVKFHFPIQOT-MOPGFXCFSA-N 451.593 1.216 30 10 JDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCn1cc(Br)cn1 1760175490 KSZORYJJFMZEAI-AWEZNQCLSA-N 455.382 1.689 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1760187746 FRAZPSFVQBBYJQ-AWEZNQCLSA-N 458.931 1.973 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760189081 NGYMOXWTJSAMGO-FPOVZHCZSA-N 465.583 1.665 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1760190467 QZUXDSBJXKGAQE-CTNGQTDRSA-N 456.616 1.623 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(C)cc1F)[C@@H]1CCS(=O)(=O)C1 1760192754 XXBYSHNORAJSRI-GOSISDBHSA-N 459.547 1.523 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(N2CCOCC2)CC1 1760195959 BZULMZSWNHFFEV-UHFFFAOYSA-N 465.554 1.909 30 10 JDEE 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492.602 1.594 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286538572 QLTRBIICSVGYCG-QGZVFWFLSA-N 467.412 1.825 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)CCCO2 1286773463 ONAZFHGLUCPMEI-OAQYLSRUSA-N 491.614 1.623 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCOCC1 1286789938 AQEZADNGTMSQCE-SFHVURJKSA-N 478.594 1.752 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1286816898 NVLGOIWDPWGLGU-JOCHJYFZSA-N 491.570 1.594 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCCN(c2ncccc2F)CC1 1286818458 IYGIQGZTNUOBNH-UHFFFAOYSA-N 472.550 1.587 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCC)CC1 1286832057 HJYGSCUSSYDHTQ-QGZVFWFLSA-N 455.650 1.842 30 10 JDEE C[C@H](CN1CCOCC1)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C#N)CC1 1288713622 CWRQGXFMWLCOLA-QGZVFWFLSA-N 457.604 1.978 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)s1 1292841926 RUCBGKQERIWHAS-ZDUSSCGKSA-N 457.599 1.622 30 10 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C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)C2CC2)CC1 1705650846 AIISUINTYSDFRL-HSZRJFAPSA-N 470.599 1.396 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705658986 HWCCFICVSNYLDK-MRXNPFEDSA-N 486.623 1.572 30 10 JDEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1705659132 MCNPIWRASAPFOV-UHFFFAOYSA-N 495.609 1.336 30 10 JDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1705761977 HXCBVKVSGGAYQP-HBMCJLEFSA-N 483.057 1.986 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)CC)C1 1705805628 KWNJFIOFZKJITK-ZWKOTPCHSA-N 468.624 1.462 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1705819810 UUZKOAROYSCIKJ-ZWKOTPCHSA-N 498.650 1.928 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCN1CCOC(C)(C)C1 1705901414 KVCBLCUPPDXCSS-UHFFFAOYSA-N 480.573 1.443 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1705905068 IMWHZSFCTLCLPX-FUHWJXTLSA-N 455.563 1.916 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1705907362 JYYFMSRDPMMFLA-SFHVURJKSA-N 490.511 1.882 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2cccc(O)c2)CC1 1705932153 NHXJQHWKXPGDAX-UHFFFAOYSA-N 456.572 1.917 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1705935819 DMDIHQGWCMPYMU-XUVXKRRUSA-N 467.636 1.320 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1722325165 GCWGQKBDXGZPCP-KRWDZBQOSA-N 458.544 1.250 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1 1722360465 UKIKPJWTRQTFRX-QGZVFWFLSA-N 450.586 1.631 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 1722365138 KMJHWHKYSFFNSK-FQEVSTJZSA-N 481.578 1.713 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722365702 NOMSSSIDJWTESO-XUZZJYLKSA-N 465.579 1.798 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1722366730 KGWNXPDQPQGPTI-AEFFLSMTSA-N 483.015 1.509 30 10 JDEE C#CCN(CCOC)c1nnc(CSc2ccc(C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1722426359 AJJFKCGLYFIZSE-OAQYLSRUSA-N 464.613 1.514 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2(CCOC)CCC2)CC1 1722450055 VQVALMQMLSATLZ-UHFFFAOYSA-N 456.591 1.573 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1722697978 RVOVDXVBXMUBEP-UHFFFAOYSA-N 459.554 1.842 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1722726337 CIVXQEFAQBNZHZ-QZTJIDSGSA-N 453.609 1.862 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1722726981 HOPRJOYKHQISBW-HXUWFJFHSA-N 474.631 1.798 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1722750189 LMRJUSULVVFTHF-VQIMIIECSA-N 482.628 1.811 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1722750282 MJPUDVKCBZVCRT-NRFANRHFSA-N 497.625 2.000 30 10 JDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1729616468 DTGOBLKTIZRIFF-INIZCTEOSA-N 460.560 1.124 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1740615805 LMCVVUDGNNKRNO-HRAATJIYSA-N 458.544 1.121 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1740616362 ZWMMGYJRTBMUMJ-IBGZPJMESA-N 494.577 1.803 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740621950 QPHJKMFEUMXXCV-RTBURBONSA-N 473.628 1.670 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1740627542 IFDLHIFGTZWFDY-SFTDATJTSA-N 488.610 1.852 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2OC)CC1 1740671597 KNHUPHWXZFISFS-FQEVSTJZSA-N 473.599 1.811 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC(C)C)CC1 1740717296 OCKVZFZBPBOIHV-SFHVURJKSA-N 471.649 1.371 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1740778673 QQEGYNJDTAQYQQ-IBGZPJMESA-N 474.631 1.930 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1740795135 ONLHTCNASQWVJJ-YADHBBJMSA-N 462.639 1.606 30 10 JDEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740944066 SQHDPKXPXRKPPM-GOSISDBHSA-N 470.530 1.924 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccnc2N2CCOCC2)C1 1740971563 ZGBDPTMMDUJDPS-IBGZPJMESA-N 455.563 1.478 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2C2OCCO2)C1 1740972511 JKFLAIRIRYFCMG-SJLPKXTDSA-N 477.587 1.763 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1741000855 HHLOVYKKAVRXOB-SFHVURJKSA-N 461.636 1.283 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCN1CCN(c2ccncc2)CC1 1748684797 PGISLHZIOHIMMW-HXUWFJFHSA-N 450.591 1.466 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCOC[C@@H]2OC)c1 1748692018 BFBGOCAPCLWXFQ-HOJAQTOUSA-N 466.542 1.337 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1S(=O)(=O)N(C)C 1748875665 SQTCBUXKTVABSO-UHFFFAOYSA-N 456.572 1.178 30 10 JDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1748951484 WHYZVNRBFVSNEM-HSZRJFAPSA-N 463.579 1.883 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCS(=O)(=O)CC)CC1 1748977967 GOXMMUKBJSOQRC-UHFFFAOYSA-N 469.409 1.236 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCN(CC)C(C)C)CC1 1748989011 DGFCNDXUYRQLSA-UHFFFAOYSA-N 465.650 1.938 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C)CN2CCOCC2)CC1 1749016533 GBZRJTVOCVJNIK-NRFANRHFSA-N 494.640 1.812 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1749666430 LWOUNEGVMBNDGY-ZBFHGGJFSA-N 487.561 1.657 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1749735737 VTBLMTIKFUJVCJ-IBGZPJMESA-N 491.589 1.874 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(S(C)(=O)=O)CC1 1749738010 CIJSUERHBDZTDO-UHFFFAOYSA-N 491.639 1.964 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 1749883937 DNLFJBIQRWIJCH-FQEVSTJZSA-N 464.574 1.073 30 10 JDEE CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC(F)(F)C2)CC1 1750209514 IDEVPKRUZSJLNY-UHFFFAOYSA-N 466.514 1.856 30 10 JDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)CCN1S(C)(=O)=O 1750349899 AUKTZRJIVSUFNL-SFHVURJKSA-N 473.603 1.009 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2([S@](C)=O)CC2)c1 1760128702 PUIGYBLXPZKMAO-IQVDJAOASA-N 454.556 1.197 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1760184637 XPNZKZABWDDMTI-UWJYYQICSA-N 480.612 1.136 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760187796 GTSWLEIKFNMUPB-GBESFXJTSA-N 474.631 1.788 30 10 JDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1760195717 GMBRQMFAOQNIFF-BVAGGSTKSA-N 463.582 1.904 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1 1760219448 FLIDNTCQZGDYIZ-FPOVZHCZSA-N 471.583 1.541 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN2CCCCC2)CC1 1760265653 GOLYKLQTORDOEY-VWLOTQADSA-N 472.634 1.772 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1760281690 PVLFMZYJJPIKFD-DLBZAZTESA-N 454.618 1.321 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCCCC)CC1 1760300281 CWIAVNUIGHRTBD-AWEZNQCLSA-N 491.456 1.930 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2F)CC1 1760306497 HWKTXSMAHBKOMT-CQSZACIVSA-N 485.383 1.950 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1760341820 YIXYMRBQKYZOFD-SFHVURJKSA-N 487.630 1.176 30 10 JDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)c1ccccc1 1760360410 ATZLOQQVDMAZGM-SFHVURJKSA-N 460.604 1.895 30 10 JDEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC)CC1)c1ccccc1 1760417841 JHHXSWUMFNWIBH-HKUYNNGSSA-N 475.619 1.710 30 10 JDEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1760506546 VWZACGGLGZHZBA-CQSZACIVSA-N 456.594 1.464 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760554431 DPQTXHIHNAJTDB-CTNGQTDRSA-N 480.679 1.456 30 10 JDEE CCCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC(C)(C)O)c2ccccc2c1=O 1766171806 DLMOHTJYDOVUMY-MRXNPFEDSA-N 451.531 1.955 30 10 JDEE Cn1cc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCC(=O)NC(C)(C)C)cn1 1767460137 BCGHXIXESJYPQA-UHFFFAOYSA-N 462.562 1.577 30 10 JDEE COCC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1769632591 GVEWAUQOSKFFEC-QFIPXVFZSA-N 481.601 1.756 30 10 JDEE COc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1O 1874209795 GUMIATLXKXXKGX-LHSRNITLSA-N 480.550 1.968 30 10 JDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)CCS(=O)(=O)C1 2132681613 GVBRLNZXMRNADB-NRFANRHFSA-N 470.397 1.859 30 10 JDEE CC1(C)OB(c2ccccc2CN2C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C2)OC1(C)C 2162866724 AWGRYLOVZRJGOR-GJZGRUSLSA-N 455.286 1.340 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CO)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2255794358 KWGKLVXLVNTXBT-CQSZACIVSA-N 476.426 1.352 30 10 JDEE CC(C)(C)OC(=O)N1CC(ONS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2255950780 UJQJGPKPBGTYHY-UHFFFAOYSA-N 454.354 1.815 30 10 JDEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267107759 QVDHRRDESAYTOS-STQMWFEESA-N 467.401 1.195 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@@](CO)(NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2267167006 ACRURQYHNQDODX-OAQYLSRUSA-N 467.397 1.934 30 10 JDEE CC(C)(C)OC(=O)NCCCN(CCO)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267367000 NJFCEPLLZLIPBE-UHFFFAOYSA-N 490.453 1.945 30 10 JDEE C[C@H]1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1NC(=O)OC(C)(C)C 2267379165 WCDVEXSLLUMDPG-YOEHRIQHSA-N 467.397 1.915 30 10 JDEE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267555429 NHGAKGKOCJKJSZ-OAQYLSRUSA-N 450.297 1.773 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2C[C@@H](CNC(=O)OC(C)(C)C)C2)n1 2267708206 GEGDWQRWLZWAGW-OKILXGFUSA-N 470.401 1.301 30 10 JDEE CN(C1CC(NC(=O)OC(C)(C)C)C1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267714393 JPDFLVYILUSTAJ-UHFFFAOYSA-N 470.401 1.396 30 10 JDEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)CNC(=O)CNC(=O)OC(C)(C)C 2268650340 IIXBJSDYKCSUAT-UHFFFAOYSA-N 467.397 1.647 30 10 JDEE Cc1nc(NC(=O)[C@H](O)C(C)(C)NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268677749 WCRVCMPYMRLFJX-AWEZNQCLSA-N 450.345 1.687 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268717571 KZHRSOZNBJOVTA-OAHLLOKOSA-N 470.372 1.983 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)C1 2268776511 SEAZCYWFWQEDBD-INIZCTEOSA-N 470.397 1.811 30 10 JDEE Cc1c(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281795746 HDBKOJSNYAYZHV-HOTGVXAUSA-N 460.384 1.967 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2281925079 CJJUFWFPGYKGGC-XZDPQHSOSA-N 462.356 1.509 30 10 JDEE COC[C@@]1(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCCN(C(=O)OC(C)(C)C)C1 2281927333 YILUKUKKGQQBTF-JOCHJYFZSA-N 464.372 1.855 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@@H]1NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2281952920 CWRRTYKWODYONX-FICVDOATSA-N 463.388 1.736 30 10 JDEE Cn1nc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1B1OC(C)(C)C(C)(C)O1 2281974554 XUTMPQVNMFMEIA-IBGZPJMESA-N 454.380 1.740 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@](O)(CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2282175311 LGTGVOWQELVHCA-QHCPKHFHSA-N 461.368 1.873 30 10 JDEE C[C@H](NC(=O)OC(C)(C)C)c1nc(=NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[nH][nH]1 2282185880 MXOCAIKLCDETDN-LBPRGKRZSA-N 458.328 1.759 30 10 JDEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282350942 USDCRAHYXGOKNK-LSDHHAIUSA-N 484.428 1.643 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 2282603014 AFTNCBKDRLIAMV-XMMPIXPASA-N 454.380 1.569 30 10 JDEE CC(C)(C)OC(=O)N1CCC(O)(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2282625335 UFAZXHOLLMNDSQ-UHFFFAOYSA-N 462.356 1.268 30 10 JDEE COCC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)CN(C(=O)OC(C)(C)C)C1 2282687150 BGGRSMYYRPJGDB-UHFFFAOYSA-N 463.384 1.938 30 10 JDEE C[C@@H]1C[C@@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1C(=O)OC(C)(C)C 2282841045 ROMOJGLIXZXMJD-KGLIPLIRSA-N 485.416 1.181 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC[C@@H]1CCCN1C(=O)OC(C)(C)C 2282841883 YNEIMZMDPMZDKH-AWEZNQCLSA-N 485.416 1.182 30 10 JDEE CN(CCn1cnc(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)c1)C(=O)OC(C)(C)C 2284117780 DMVKRAWXKJGTBU-UHFFFAOYSA-N 478.384 1.575 30 10 JDEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CCN[C@H](C(=O)C=Cc2ccc([N+](=O)[O-])cc2)C1 2328074124 ZOBLLVGWAQOINO-JXFKEZNVSA-N 462.462 1.710 30 10 JDEE Cc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n2N)cc1 20917727 QTURYKJLVCWACJ-LSFURLLWSA-N 450.484 1.361 30 10 JDEE N[C@@H](CC/C(O)=N/[C@@H](CS[C@@H]1c2cccc([N+](=O)[O-])c2C=C[C@@H]1O)/C(O)=N/CC(=O)O)C(=O)O 30728527 ASZHPHJDCUIIBF-BWQRHGBYSA-N 496.498 1.315 30 10 JDEE in-man,metabolite C=CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC1 32826750 NMSBNROBVQFEKB-UHFFFAOYSA-N 456.568 1.225 30 10 JDEE Cc1ccc(/C=N/Nc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@@H](O)COc2ccccc2)cc1 33702902 AGFQBRHWABZYSN-YBNTXHARSA-N 462.510 1.628 30 10 JDEE COCCN(CC(N)=NO)C(=O)c1cc(Br)ccc1I 317004957 OHYMSDCJSWAJNU-UHFFFAOYSA-N 456.078 1.889 30 10 JDEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cccc(Br)c1 729670599 XMVXGMXUUPBCPN-UHFFFAOYSA-N 480.347 1.558 30 10 JDEE CC(C)n1cc(C=NNc2nnc(SCCC(=O)NCc3ccc4c(c3)OCO4)n2N)cn1 1084207809 PBZLTOPTFLWNOI-UHFFFAOYSA-N 471.547 1.743 30 10 JDEE C=C[C@@H]1OCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1276638070 RZMBGHPHKUQJIB-HKUYNNGSSA-N 450.557 1.956 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN(CC)S(C)(=O)=O 1286291881 YYMYCDGAEDSHHI-MRXNPFEDSA-N 471.587 1.322 30 10 JDEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286337737 SNYQNKNTXBNHGM-INIZCTEOSA-N 474.363 1.932 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1286392878 HUJMLKOUOUGFMV-UXHICEINSA-N 456.568 1.849 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccs2)CC1 1286486843 QGJMEEGKCBHLTF-HNNXBMFYSA-N 464.617 1.158 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1286496556 UFYXSGRJNGACHW-DLBZAZTESA-N 454.666 1.565 30 10 JDEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC1(O)CCS(=O)(=O)CC1 1286716863 MXFDOUQWJGJBLI-UHFFFAOYSA-N 458.382 1.608 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286783157 LUSOWCUWZZUUAE-CQSZACIVSA-N 484.985 1.805 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1286815003 YRRJBAHGRBONMV-SJORKVTESA-N 498.650 1.757 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1286843477 UIKVFPJBPILNBN-FCQUAONHSA-N 478.557 1.237 30 10 JDEE CC(C)CN1CCO[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)C1 1287787046 AFWCEMFNGJZZMV-UNMCSNQZSA-N 481.601 1.787 30 10 JDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CSCCN1Cc1ccccc1 1296343661 CJSHISICAGDQML-PXNSSMCTSA-N 458.609 1.959 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1298283554 HIFCFYRSUXCNEE-ZWKOTPCHSA-N 457.560 1.019 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1300484840 UVAPDNHSRBFROD-IBGZPJMESA-N 468.583 1.606 30 10 JDEE C=C(C)COCCn1c(CC)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1300990225 IXMWTUONYMXWIT-BRWVUGGUSA-N 469.608 1.560 30 10 JDEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1301237049 MWGHRGKXGQNGOS-YLJYHZDGSA-N 486.621 1.630 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1301493215 WNNFZQUYUDTXOI-UHFFFAOYSA-N 468.558 1.760 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccc(F)c1)C(C)C 1301501424 WWNALIYOGAAXGB-IBGZPJMESA-N 494.593 1.467 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCO1 1301503251 XDCNSVSOFPGLOO-SJORKVTESA-N 464.567 1.504 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C(N)=O)CC2)cc1 1301524237 BIXCZHNEIAEQHD-SFHVURJKSA-N 459.572 1.495 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1301613334 WCKFGULXKJVPQD-RTBURBONSA-N 480.660 1.818 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCc2nccn2C1)[C@@H]1CCS(=O)(=O)C1 1358957077 PEOZHCPCFHLUSK-GBESFXJTSA-N 476.603 1.088 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1358961023 QJQBEIHNTLHGEA-XMSQKQJNSA-N 474.656 1.713 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1358961883 GRJZGHZJPMCNNY-QYZOEREBSA-N 462.620 1.120 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCNC(=O)[C@@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 1358967983 WWPKHYBUZZQFEW-RCCFBDPRSA-N 451.593 1.309 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1359028204 KPLMEYIXWZVWNC-BGYRXZFFSA-N 473.666 1.840 30 10 JDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1359054721 FAWPHJHAABSJDI-UHFFFAOYSA-N 483.623 1.921 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ncc(Cl)n1C 1359090495 BWAVYIMBLHQBCO-CPUCHLNUSA-N 472.015 1.893 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(COC)CC1 1359132969 ITEZDTLPEXQZFT-SFHVURJKSA-N 457.597 1.067 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359292597 SVXOUXGPRLWZKE-YJBOKZPZSA-N 465.551 1.873 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](NC(=O)CC)C1 1359296520 LWIKGQASWYNDGY-QGZVFWFLSA-N 454.531 1.514 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1359329373 HGDWJKUVEKJBMS-IFMALSPDSA-N 484.626 1.965 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1359329458 JKESBCGBGVSYLF-GAJHUEQPSA-N 492.598 1.947 30 10 JDEE CC(=O)N1CCN(Cc2ccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2)CC1 1458348929 HTYCTTWQADPIGF-UHFFFAOYSA-N 455.540 1.028 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)c1 1464638075 LWTZLMHRTCCEOW-UHFFFAOYSA-N 454.957 1.845 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1503476040 CVTOQIBQBXVRHO-QGZVFWFLSA-N 473.584 1.624 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCc2ccccc21 1507538829 PJMXQQUFPOJGFD-WFXMLNOXSA-N 472.615 1.520 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2cc(Cl)ccc2s1 1507617276 RSWDSOVZELTINS-OAHLLOKOSA-N 481.003 1.992 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(NC(=O)OC(C)(C)C)COC1 1507675800 FYKFUUNWZHRJGR-OALUTQOASA-N 473.574 1.759 30 10 JDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCOCC2)nc1 1507713427 JOBWFLGXJZLPEN-UHFFFAOYSA-N 464.574 1.506 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1507722446 XKYMCBLBLUVQBW-ZWKOTPCHSA-N 497.666 1.193 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)CN2CCOCC2)CC1 1507731721 BBGDTTDLOONHNY-FQEVSTJZSA-N 456.566 1.720 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCN(C)CCOC)CC1 1507735602 ZDSGZGCGGHDMRL-UHFFFAOYSA-N 468.558 1.218 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCCCC2)CC1 1507739126 MZMIMDAMDZYFDX-FQEVSTJZSA-N 492.646 1.157 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1508058854 IBZYEDRRASLMFP-KRWDZBQOSA-N 473.559 1.472 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1508059211 QWHGFYGLIRJAOB-QUCCMNQESA-N 460.604 1.508 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](C)C1 1508087150 NTTFWQLCZPRIBO-SFHVURJKSA-N 494.600 1.134 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1508160717 HYNFWBNEUMWYQO-KSZLIROESA-N 472.681 1.449 30 10 JDEE C[C@H](CC#N)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(C(N)=O)CCOCC1 1509945820 DRKHYBZLPUOIGR-OAQYLSRUSA-N 494.644 1.663 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCc1ccco1 1539017324 ZLOSFCDCBROBQQ-AEFFLSMTSA-N 472.546 1.954 30 10 JDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCS(=O)(=O)N1CCSCC1 1539161181 BXRXTWFTMPVICS-UHFFFAOYSA-N 465.601 1.410 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539218982 ARZSUKVXINFTAY-CVEARBPZSA-N 494.618 1.159 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539223954 AIRXCLOWIZLJSQ-TZIWHRDSSA-N 456.616 1.623 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539224897 JXLKCMLZKPMSLV-GOSISDBHSA-N 474.587 1.415 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1C(C)C 1539266355 ORVLPGBOHOXUKD-QFIPXVFZSA-N 485.610 1.886 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCN(C(C)=O)CC1 1539304630 CXZQFEYJECJCCF-UHFFFAOYSA-N 464.570 1.589 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@H]1C(C)C 1539417224 ZITGIQJNDSOQIF-UFYCRDLUSA-N 483.635 1.148 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(C)CCO[C@H]2C2CC2)CC1 1539469906 VROIGZRUNQVVDF-NVVBAYIOSA-N 492.646 1.059 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCS(=O)(=O)NC)CC1 1539470688 VTOXCQBPKADGBM-UHFFFAOYSA-N 496.540 1.062 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1539595614 FFSWBZVHGZBVCF-MRXNPFEDSA-N 492.440 1.567 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1540019097 BAFRQBLBRGUTPB-QGZVFWFLSA-N 458.567 1.681 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1540865906 WFTPZEZIASBHPS-PXNSSMCTSA-N 469.590 1.528 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1540875530 OQNLWOKGAKWQGE-GOSISDBHSA-N 481.557 1.194 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1540898099 ZKEFWTPORGXXIQ-LJQANCHMSA-N 466.652 1.525 30 10 JDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1540913781 SRWBRYGZVSPEJA-UHFFFAOYSA-N 451.560 1.475 30 10 JDEE CCC[C@H](C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1546865419 GHGQQXSFPXJOLX-ICSRJNTNSA-N 494.600 1.837 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nccs2)C1 1554504362 BXEBTBSTYMSHFI-MRXNPFEDSA-N 459.557 1.400 30 10 JDEE C#CCCCCn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1587793197 JHAAFKIFDORWBM-RUZDIDTESA-N 486.617 1.393 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588035933 ZPJYECIEPAHWEJ-JYLXEMOASA-N 466.604 1.372 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1588039696 CECWKEVGNAPAIH-SJLPKXTDSA-N 460.556 1.768 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](c1c(F)cccc1F)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588053646 GQQBMODFCLNMEL-HLIPFELVSA-N 493.580 1.990 30 10 JDEE C#CCN(c1nnc(CC)n1CCN1CCN(Cc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1588059573 QIXFJDMZGXAUDR-QFIPXVFZSA-N 470.643 1.285 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)C1CC1 1588194593 XSONKXCEELQYAK-HSZRJFAPSA-N 455.584 1.819 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1589059948 LCPAZCCTCPDSHX-IBGZPJMESA-N 486.573 1.462 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)N(C)C 1589609479 ZTDMOCZTQWAEPS-UHFFFAOYSA-N 455.606 1.642 30 10 JDEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)NCCOC)CC1 1589701144 QUDCJEXWZSAJHR-UHFFFAOYSA-N 469.590 1.608 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1594096752 GVQLFWKMFFAPKN-MSOLQXFVSA-N 498.650 1.928 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1595673234 GFWCVNYTUKEWJA-IAGOWNOFSA-N 460.560 1.532 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1617384305 FUHRXIKMEKGCLK-KRWDZBQOSA-N 473.603 1.449 30 10 JDEE C#CCn1cc(CNC(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cn1 1618800500 KYVOILFRUNTRTQ-UHFFFAOYSA-N 452.540 1.302 30 10 JDEE N#Cc1cccc(OCCN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)c1 1642207198 HMFODPOZVABPQU-UHFFFAOYSA-N 457.556 1.175 30 10 JDEE C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 1642589167 APNPTVMFNLEJFJ-LJQANCHMSA-N 456.568 1.678 30 10 JDEE COc1ccc(CN([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(C#N)cc2OC)cc1 1653562762 FAHRJOMCGZVYOY-QGZVFWFLSA-N 450.538 1.953 30 10 JDEE CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)cc21 1662817409 HKAURMZRKPZFOY-OAHLLOKOSA-N 456.572 1.971 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCn2c(nnc2-c2ccccc2)C1 1689913381 NGHICHJCBLEMIM-MRXNPFEDSA-N 454.560 1.580 30 10 JDEE C#CCCCn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1689941646 SRMCFWJBGLSXAD-RXVVDRJESA-N 451.593 1.348 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1689979873 IPVJLVOCWMVJHW-KZNAEPCWSA-N 478.546 1.599 30 10 JDEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CC=CCO1 1690095556 UPMHYZYZBKGYLC-SFHVURJKSA-N 458.588 1.978 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCc2ccc(OC)cc2)CC1 1690124986 YEFWCHVACHERMT-HXUWFJFHSA-N 473.599 1.161 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cc(OC)ccc2OC)CC1 1690146068 DYSCGNIYXMAZOM-SFHVURJKSA-N 453.543 1.813 30 10 JDEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)N2CCSCC2)CC1 1690408745 VXPZPHDYONZUAZ-UHFFFAOYSA-N 451.622 1.460 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1690484988 IMDISGWCMLJFQX-RTWAWAEBSA-N 495.694 1.182 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1690644419 JTYOOBPYEFXFLK-MRXNPFEDSA-N 467.621 1.197 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(Cc3ccccc3)C[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1690677861 CNFRZISRCXFYTL-CJFMBICVSA-N 468.602 1.943 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](C(N)=O)C1 1690717391 DZLOYMUKQYJKTI-CQSZACIVSA-N 455.487 1.459 30 10 JDEE CC(=O)N1CCN(CCn2c(COc3ccc(F)cc3)nnc2N2CCC(C#N)CC2)CC1 1690870077 BCMCXBDOLWXHHQ-UHFFFAOYSA-N 455.538 1.900 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(S(C)(=O)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1705562420 BQLPZQHLPAWKHC-MRXNPFEDSA-N 466.585 1.441 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1705572154 SGNYZQQYDQPMKB-BJLQDIEVSA-N 462.572 1.887 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1Cc2ccccc2C1 1705598037 ZILPOSXHXRITDM-HSZRJFAPSA-N 481.622 1.879 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705685882 KWLITPFCJSCTCU-HNNXBMFYSA-N 467.368 1.356 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccn2C(F)F)CC1 1710328467 FBXZHZTWRMDERA-UHFFFAOYSA-N 469.500 1.715 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1710887302 FNGSBNNHMAHOLV-QGZVFWFLSA-N 489.602 1.067 30 10 JDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@H]1OC 1712684686 DCLNFKTYKAAFMX-YTQUADARSA-N 461.544 1.013 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1722332267 HIPJSDWZXFTKMK-HXUWFJFHSA-N 462.664 1.588 30 10 JDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1722337879 JNJIQKFCCJROKZ-LJQANCHMSA-N 483.642 1.816 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOCC2CCOCC2)CC1 1722431479 LVWBIWLDDNUCBF-UHFFFAOYSA-N 467.574 1.514 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1722434525 UJFBUWGFBOYNBZ-MBSDFSHPSA-N 459.616 1.901 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncnc3sccc23)CC1 1722519205 OPEHEJOJXVQZFA-CQSZACIVSA-N 462.605 1.796 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C 1722667894 YFCAPDFRMHMDRR-SIKLNZKXSA-N 495.603 1.930 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCO[C@H]1C 1722681095 GLDPOGSURQHHCO-BSRJHKFKSA-N 481.594 1.765 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOC)[C@H](C)C1 1722694972 NRWRVIOSYYHHFE-QGZVFWFLSA-N 456.547 1.175 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722695381 BBXXGBLGZBLQIT-UHFFFAOYSA-N 481.948 1.116 30 10 JDEE C=CCOc1ccc(Cn2c(C3CC3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1 1722706561 VYGBAROZJQTWKP-UHFFFAOYSA-N 452.559 1.942 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 1723667022 GJMSCWCRYFQZLY-NRFANRHFSA-N 491.597 1.222 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCC(=O)N(C)C 1723924154 CFYDFWQDLMUOID-MRXNPFEDSA-N 471.587 1.532 30 10 JDEE C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1)N(C)C 1723951847 FSGWHOCSTVFTLG-JKSUJKDBSA-N 495.053 1.690 30 10 JDEE C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1726751352 BYVKOAITOARWSM-WIYYLYMNSA-N 488.614 1.463 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1729342495 DVUDHGJNBNNRFK-HNNXBMFYSA-N 469.365 1.328 30 10 JDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1730417824 CPWVXKOJRQTWKY-BGYRXZFFSA-N 495.628 2.000 30 10 JDEE COCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)CCOCC1 1730519107 GELXJQPXMBXRJX-SFHVURJKSA-N 454.531 1.484 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCOC[C@H]2C)c1 1740561507 GGOISZKBSWRERB-FQRUVTKNSA-N 496.612 1.707 30 10 JDEE C#CCN(c1nnc(C2CC2)n1CC[C@@H](C(F)F)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740623078 NPGZTDWKRSTHDT-SJORKVTESA-N 457.547 1.138 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1740624368 FWMUFNBXCWMEBZ-WIYYLYMNSA-N 464.975 1.300 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1740625743 HWORMZFSLPCFAR-NHCUHLMSSA-N 488.610 1.872 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1740629068 ZRHUSEYQBDTHEM-SFHVURJKSA-N 457.556 1.094 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)Cc2cccs2)CC1 1740691298 YONLTMHPRPKGQP-SJORKVTESA-N 450.634 1.584 30 10 JDEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC[S@](=O)CC)CC1 1740699223 YJHJWPCIBAKBIK-UUWRZZSWSA-N 483.686 1.167 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nnc(CC)s2)CC1 1740700692 FJOXYDRIDOECLM-UHFFFAOYSA-N 479.570 1.353 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1740739598 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1740991090 NXUGSETZMVHLMO-UHFFFAOYSA-N 461.636 1.819 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cccn2)CCO1 1741110242 CQEQBZRGWOERTP-OAQYLSRUSA-N 464.530 1.357 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCn2ccnc2C)c1 1748692652 KPKKCFDSQDFBQH-LJQANCHMSA-N 481.582 1.442 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@@](C)=O)CCC1 1748789190 IPXVEJLLSNXJCX-AZYRPFHASA-N 451.593 1.957 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1748805176 PIGWRKCREIETAE-ZJBJCVSYSA-N 495.001 1.850 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1748818307 AFQGLQWLNDPKSB-FQEVSTJZSA-N 488.610 1.436 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1noc(CC)n1 1748841950 CCPVXJICJJHFII-UHFFFAOYSA-N 456.510 1.936 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1748852072 VSQNBBBZVHXYNZ-QHCPKHFHSA-N 473.625 1.630 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCC(O)CC2)cc1 1748863570 AFHCUBHSQPDZKO-HXUWFJFHSA-N 498.653 1.356 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](CC)N2CCc3ccccc3C2)CC1 1748972209 CXLHFTKVXXUEPR-REWPJTCUSA-N 499.685 1.480 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCNS(=O)(=O)Cc1ccon1 1749073088 GDNPFFDPIFUGAO-OAQYLSRUSA-N 472.575 1.239 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749667205 UDCNVJDGOWJGQI-UHFFFAOYSA-N 485.570 1.374 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1749670130 RPKLPQMTYPRZRB-ZACQAIPSSA-N 460.579 1.981 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1749670390 QSAVYKNJOOTEGE-DLBZAZTESA-N 475.594 1.615 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1749683080 IQCJURHJAJRGCJ-AVRDEDQJSA-N 468.558 1.466 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1749735240 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DQJFVOMKAAIYHA-JOCHJYFZSA-N 454.575 1.899 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ncccc2C#N)CC1 1760553955 NBRNSCIMGSEBMI-UHFFFAOYSA-N 478.582 1.843 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1760565912 HJYYXOZJTGAQNP-DLBZAZTESA-N 493.659 1.497 30 10 JDEE C[C@H](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)N1CCCCC1 1761379273 BZCYPQVUZNMHRQ-DBXWQHBBSA-N 483.614 1.317 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCCc1cnn(C)n1 1761466144 HXHVPQMDUMUFFU-HNNXBMFYSA-N 457.564 1.158 30 10 JDEE C=CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CN2CCN(CCO)CC2)cc1=O 1870383259 BHUGYBUPISUTMC-UHFFFAOYSA-N 457.571 1.783 30 10 JDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccc(S(C)(=O)=O)cc3)CC2)CC1 1889490483 SGXWQYONWNZFEX-UHFFFAOYSA-N 461.628 1.741 30 10 JDEE CO[C@H]1[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2140535940 RTPQYCYYDVHDSS-MXEMCNAFSA-N 458.559 1.872 30 10 JDEE C=C(CS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO)B1OC(C)(C)C(C)(C)O1 2255794133 HTMOTVAEXJHTHJ-JKSUJKDBSA-N 460.402 1.711 30 10 JDEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2266986176 GMYVQFFZNBWYGE-UHFFFAOYSA-N 450.316 1.837 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1CC[S@](=O)(=NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267145464 GMTMBKGTKCDHFH-RZQXLCLMSA-N 468.385 1.862 30 10 JDEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267148092 WGOZCNVAGVTHMA-GJZGRUSLSA-N 450.345 1.463 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1csc(NC(=O)OC(C)(C)C)n1 2267265928 LWQAZRBOLIKBBD-UHFFFAOYSA-N 464.357 1.848 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267470511 LTDFVIUAZOMBCZ-AWEZNQCLSA-N 488.437 1.962 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 2281968887 GOZRDVJZGVCFSU-HNNXBMFYSA-N 464.372 1.256 30 10 JDEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2281976532 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JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1286393935 MIKMJJIJJKWAMV-INIZCTEOSA-N 457.585 1.353 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1286395219 LUJOJEOWBQAOPZ-KRWDZBQOSA-N 463.535 1.149 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)CCOC)CC1 1286480596 NUMGQJIHUUMSOW-DVECYGJZSA-N 492.621 1.129 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCn2cc(Br)cn2)CC1 1286651437 DTBFNCSVFNZCDD-CYBMUJFWSA-N 472.413 1.950 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2cncn2)CC1 1286700328 LRNPZWXXWYDIAU-GOSISDBHSA-N 464.596 1.085 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@]2(CCOC2)O1 1286758453 NWCMFSURMIYKOX-LVCYWYKZSA-N 467.592 1.128 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1286780711 ZEPAWWSDSOMFIG-GOSISDBHSA-N 462.558 1.942 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286789188 BYVVUJSLTYVMGQ-SFHVURJKSA-N 472.619 1.518 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1286822154 ZONBLGIMZTTWDZ-UHFFFAOYSA-N 498.584 1.966 30 10 JDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286835200 SMGTVKWWHPPZIH-UHFFFAOYSA-N 461.636 1.064 30 10 JDEE C[C@@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1CCNS(=O)(=O)Cc1ccon1 1291301324 AIWDHSWGQLFYJH-OAHLLOKOSA-N 457.516 1.149 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(NC(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 1300480161 YNSSEHOYNYZCHQ-GOSISDBHSA-N 488.570 1.270 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1300491247 FRWIGAQTKJQPKE-IAGOWNOFSA-N 493.536 1.700 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 1300496278 PHCWMROUNDXGCR-HOTGVXAUSA-N 468.626 1.225 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOCc2ccc(OC)cc2)CC1 1300683333 ZRHPNOMBDNPEKQ-UHFFFAOYSA-N 475.553 1.906 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)Nc2ccccc2)CC1 1300725910 LKELJIOHCJWUKA-LJQANCHMSA-N 498.609 1.175 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)nc1 1300805950 LWXCMKSLOSZIOZ-XMSQKQJNSA-N 473.603 1.112 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1300857096 REFYEVNVDXIAJM-UHFFFAOYSA-N 471.363 1.902 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1300877532 YJTORFBJLLTSOV-FKSLSLAPSA-N 454.641 1.788 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1S(=O)(=O)N(C)C 1300915226 KBDLGBZYWSWLOV-SFHVURJKSA-N 481.644 1.881 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1301507045 UVQALTDCBDTTCU-KRWDZBQOSA-N 469.565 1.099 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC[C@@H](F)C2)C1 1301558249 UPHARDQWZUYHJD-TVFCKZIOSA-N 457.572 1.531 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1301567864 MIMIRFGOQYDEFN-QGZVFWFLSA-N 480.635 1.246 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(F)c1 1301967793 GVJHKCBRHKARMJ-GUYCJALGSA-N 454.503 1.533 30 10 JDEE CC(=O)N1CCN(c2ccc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)cc2)CC1 1302751025 QQGFKDWSBKMWNZ-MRXNPFEDSA-N 455.540 1.532 30 10 JDEE Cc1cccc(C(=O)NCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)c1 1304442341 BQRVXLJLZYHHSH-GOSISDBHSA-N 460.498 1.393 30 10 JDEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1305648914 DUYXJWRFSFGPEA-KNQAVFIVSA-N 497.600 1.181 30 10 JDEE CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CC1 1313471337 HQGYXSDRRZLGJZ-DEOSSOPVSA-N 451.575 1.626 30 10 JDEE COC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)OC 1315790455 HDIDBOJEOPZRFD-QFIPXVFZSA-N 481.601 1.759 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OCC(F)(F)F)nc1 1358871576 HIKVMNZGNTVZTG-KBPBESRZSA-N 474.509 1.925 30 10 JDEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1358918406 TVDKIVIOBHVKBJ-UYAOXDASSA-N 469.594 1.336 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358958335 LVPNXXMLGZXUPB-UYAOXDASSA-N 473.599 1.301 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358959713 OEXGFNFFQDQASD-WOJBJXKFSA-N 457.600 1.601 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1358963528 JQEBISMQIASEEK-NJYVYQBISA-N 463.648 1.919 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncc(F)cn2)CC1 1359048329 MNXFAYXAFRBYAS-UHFFFAOYSA-N 467.534 1.548 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359083843 SHBZFDOEEVVFQT-CQSZACIVSA-N 450.341 1.667 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CCCN2CCOCC2)CC1 1359117259 PLNXHROIAITFEF-GOSISDBHSA-N 454.641 1.793 30 10 JDEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCS(=O)(=O)N(C)C)CC1 1359160949 KEOBVIMNKHHERW-UHFFFAOYSA-N 481.648 1.594 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1COCCO1 1359256856 RSAJCKZQAHGPHF-WOJBJXKFSA-N 457.556 1.660 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CN2CCCCCC2)CC1 1359287434 DCIPCTSEMKWUCG-FQEVSTJZSA-N 466.652 1.889 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1359287632 ORVLHBADWBHDNG-FQEVSTJZSA-N 477.587 1.419 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1Cc2cccc(Br)c2C1 1359301435 YSJLRMBPBZNZPD-AWEZNQCLSA-N 480.388 1.765 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1359326907 MMRKLECJBWIQLZ-SFHVURJKSA-N 452.625 1.137 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC(NC(=O)C2CC2)CC1 1359334275 ZDPXWFJIFPTOPT-UHFFFAOYSA-N 478.644 1.730 30 10 JDEE C#CCN(C(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)[C@@H]1CCS(=O)(=O)C1 1435069627 QPNCWUJOBPYMMI-JKSUJKDBSA-N 451.549 1.113 30 10 JDEE C=C[C@H](COC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1467331514 JJTWXZYXRKKLQP-LJQANCHMSA-N 451.589 1.740 30 10 JDEE Cc1cccc(OCc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCS(C)(=O)=O)c1 1492546857 FOUZBOJRMAHJRH-UHFFFAOYSA-N 481.582 1.803 30 10 JDEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)CC1 1502340449 GLYGTBFGULVMDV-OAQYLSRUSA-N 494.644 1.385 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@](C)(C#N)C1 1503279954 FJDDFVWJUWUQJI-HXUWFJFHSA-N 480.616 1.418 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1nccnc1C 1507521701 POUNNLBHWZYNOF-INIZCTEOSA-N 453.572 1.994 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CN(CC(C)C)CCO2)c1 1507551013 UDRFAUZOKHZBAF-FCHUYYIVSA-N 493.612 1.642 30 10 JDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1507572452 KCLZGMPYWZAPLU-UHFFFAOYSA-N 484.004 1.676 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1507636729 CTLNNJFVLDYTID-LJQANCHMSA-N 473.599 1.588 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 1507653067 LHQJWFJWUMRTDO-HMFYCAOWSA-N 483.594 1.617 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C1CCCCC1 1507688527 CEDLIOQCQQWSJL-IBGZPJMESA-N 452.625 1.335 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1507690885 YKWYFQAHOUAWKG-KNQAVFIVSA-N 471.627 1.909 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCCO2)CC1 1507739956 HGQNUPRKJSOZMI-GOSISDBHSA-N 470.599 1.805 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1507832219 TYXSTXDULFQFEZ-UXHICEINSA-N 461.588 1.983 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCc2ccccc2)C1 1507832220 TYXSTXDULFQFEZ-VQTJNVASSA-N 461.588 1.983 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCc2ccccc21 1508039690 PIUNZHLUAOEHKQ-CTNGQTDRSA-N 475.615 1.980 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(C)=O)C[C@H]1C 1508071603 CQRISNKONDZLRA-GFCCVEGCSA-N 450.341 1.395 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCO[C@@H]2C(C)C)C1 1508124193 LIWQRKKICMYIBE-ZGXWSNOMSA-N 483.635 1.453 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(C(=O)N2CCCC2)CC1 1508136848 ICPDNKONAVDMGI-UHFFFAOYSA-N 460.604 1.723 30 10 JDEE C=CCSCCn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1508167120 GNTOFKMCZURWTQ-MRXNPFEDSA-N 488.639 1.645 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(F)cc2)C1 1519562716 HVMDKXFKKKZVNJ-LPHOPBHVSA-N 452.487 1.240 30 10 JDEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)CC2=O)cc1Cl 1526949931 GEPOFPPPTORRDA-SIFCLUCFSA-N 451.932 1.417 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1539204115 YXACVLIRZKCSAY-IBGZPJMESA-N 473.599 1.935 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1539211359 LAEAHVZKDBCPTC-INIZCTEOSA-N 482.509 1.972 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1539220383 RMNLASSWYHFVRA-IRXDYDNUSA-N 456.634 1.461 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1Cl 1539369692 OIYZRXGTSSPOIV-QGZVFWFLSA-N 455.943 1.911 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCN(C(C)=O)C1 1539409175 QNBJNKROWADCPK-LJQANCHMSA-N 477.569 1.537 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)c1ccccc1 1539415526 FMPBIKJEFTZQBL-GOSISDBHSA-N 483.541 1.489 30 10 JDEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCC(=O)N(C)C)CC1 1539431219 RFDHCLYCVVEROE-UHFFFAOYSA-N 486.646 1.170 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCCN2CCN(CC)CC2)CC1 1539481701 MZPINZDVCXSXEX-QHCPKHFHSA-N 485.677 1.903 30 10 JDEE C=C(Br)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539579339 JJLPKXAZSXCSTO-KBPBESRZSA-N 493.337 1.613 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccnc(C)n2)CC1 1539751123 GZIXVNOVHNNROZ-SFHVURJKSA-N 461.592 1.198 30 10 JDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1539856137 RFHOPKXNWPCESC-VZCXRCSSSA-N 467.555 1.952 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2OC)CC1 1540071743 HLABKZKALPXRLC-IBGZPJMESA-N 461.588 1.974 30 10 JDEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1540856281 IUKUTNNPGIXZRW-UHFFFAOYSA-N 468.558 1.809 30 10 JDEE C=CCn1c(COc2ccc(C)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1540860263 XAJNCQMZXCXLAN-UHFFFAOYSA-N 458.544 1.992 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1540871253 HNLQMWCDCXPGJB-UHFFFAOYSA-N 483.621 1.122 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(OCC(N)=O)CC2)cc1 1540878025 LROJUHWBGDZHQS-GOSISDBHSA-N 489.598 1.264 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H]1CSC 1540901582 INMJJCVFHKIRFU-CQSZACIVSA-N 453.590 1.938 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1540905514 WVQYGYRZGXURLD-HXUWFJFHSA-N 461.588 1.119 30 10 JDEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCS(=O)(=O)NC(C)C 1545533128 CVWCYMKPBFXSFN-QGZVFWFLSA-N 460.608 1.713 30 10 JDEE CCN1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOC[C@H]2C)CC1 1547704181 GOTMFXHEFASMIY-WOJBJXKFSA-N 453.591 1.980 30 10 JDEE COCCNC(=O)[C@@H]1CN(C(=O)c2cnccn2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367671 DOWIPCRVILHNFJ-SFHVURJKSA-N 462.432 1.461 30 10 JDEE C#C[C@@H](CC)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1568621110 DVIGRAYXVGIUJM-IINYFYTJSA-N 453.870 1.799 30 10 JDEE C#CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1587739069 PQAXVBLXVICGGG-GOSISDBHSA-N 466.542 1.303 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1587765559 IAMPKNLREOKRHU-IBGZPJMESA-N 453.572 1.577 30 10 JDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1587812933 FCSQWWJUZLSZRF-KRWDZBQOSA-N 493.659 1.478 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1588075097 XRKUOKWBJAJDDL-SXKCCIOGSA-N 494.639 1.598 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1588914120 XGGICAFMXQQLQE-DARPEHSRSA-N 491.527 1.576 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(C)cc2N2CCOCC2)CC1 1588947170 LXIVSSNALFHEJJ-UHFFFAOYSA-N 450.587 2.000 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1589530611 XJYOTMJASVFGOD-PXNSSMCTSA-N 477.635 1.910 30 10 JDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1594807468 PJTGJYDIAHAJGJ-HXUWFJFHSA-N 470.549 1.852 30 10 JDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1595314030 DEWQJCFYVJTYST-UHFFFAOYSA-N 473.965 1.622 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)OC)CC1 1595496839 IPUFOFNMAWOVLT-UHFFFAOYSA-N 450.446 1.737 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1c(C)nn(C)c1C 1595577024 GMIDJLCHMNTSDZ-UHFFFAOYSA-N 456.576 1.559 30 10 JDEE CC(=O)N[C@](C)(C(=O)N(C)CCOCc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 1596019053 QSIZJCFTZCRCSJ-QHCPKHFHSA-N 457.552 1.988 30 10 JDEE Cc1nccn1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1612451653 BSHXKFNFFRUBBC-UHFFFAOYSA-N 464.530 1.229 30 10 JDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1613441540 FXDGSERTPKTOOO-ICSRJNTNSA-N 499.641 1.288 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@]2(C)C[C@H](O)CN2C(=O)OCc2ccccc2)n1 1618759334 NRFKIEMTQAKEDU-XUZZJYLKSA-N 454.527 1.653 30 10 JDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCC[C@@H]2C(=O)N2CCOCC2)CC1 1652437380 GXWHIYGRLJVOQN-FGZHOGPDSA-N 457.550 1.248 30 10 JDEE C#CCC[C@H](O)CNC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1665578710 HYBGVDQPXWVNRW-KRWDZBQOSA-N 452.577 1.450 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2(N(C)C)CCCCC2)CC1 1690142871 WKEPNWCICNVOIR-UHFFFAOYSA-N 450.591 1.965 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCN(CCC)C2)CC1 1690375858 VUHOXEZRZFXLQL-MOPGFXCFSA-N 452.625 1.499 30 10 JDEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1690634709 ORFRMDZJTNTYFD-INIZCTEOSA-N 452.968 1.810 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1690669548 IMUSVKZVNSOQOK-KRWDZBQOSA-N 457.510 1.006 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1690696994 MVYZKXUXAYIUQH-OAGGEKHMSA-N 458.485 1.274 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1690729100 GMJYPGRJABHVPX-AOMKIAJQSA-N 494.618 1.105 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1690743544 CLDDUOWEBONCLX-INIZCTEOSA-N 491.705 1.350 30 10 JDEE C[C@H]1CN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C#N)c2)CCCO1 1693839785 IFHHXDGUNSKTER-OALUTQOASA-N 489.646 1.897 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1OC 1705599161 VQSSXWMFZLZZBE-GOSISDBHSA-N 472.567 1.717 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2cccn(CC)c2=O)CC1 1705642693 DZZQQQZGUWBHFZ-UHFFFAOYSA-N 462.554 1.851 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1705660163 OJNZNWACCUUASZ-INIZCTEOSA-N 456.532 1.225 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1705896665 UJLITEMBNJSJGP-MJGOQNOKSA-N 459.572 1.656 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705904939 CZFXROIPPMXROF-LJQANCHMSA-N 455.950 1.926 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1705936194 LLZPKZGUZPUAAJ-BRWVUGGUSA-N 469.608 1.732 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN(c2cnccn2)CC1 1705938371 WQKSOAJZSVJYKO-UHFFFAOYSA-N 483.598 1.883 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCCS1(=O)=O 1706076633 BBVUJUALECLXTI-HUUCEWRRSA-N 450.590 1.833 30 10 JDEE COCC[C@](C)(O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C#N)C1 1712324237 BZMFXMAXDYVKID-JPYJTQIMSA-N 478.594 1.909 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1722360404 GWVCDFGKQSYXIQ-LJQANCHMSA-N 453.572 1.952 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(C)(C)C)nc1 1722391084 XEWCBMCYYJVABC-QGZVFWFLSA-N 458.588 1.972 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(C)nn(C)c2C)CC1 1722584496 ZUXMAFPSNMZPRM-IBGZPJMESA-N 463.608 1.412 30 10 JDEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1722597491 SYDXZVJMGBOASJ-FQEVSTJZSA-N 472.615 1.842 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)c(O)c2)C1 1722717441 AWYPLVYTXXSAOE-YLJYHZDGSA-N 493.586 1.155 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722725812 SQTRPWKVUUWKIU-UHFFFAOYSA-N 474.587 1.120 30 10 JDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@H](C(F)(F)F)O1 1726722133 FCMDBNHIVVLAFK-CRAIPNDOSA-N 494.474 1.744 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CC(F)(F)CO2)c1 1740564455 NMUSNZRFWRGHMO-GOSISDBHSA-N 472.496 1.881 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCCCC1 1740731791 HWHGNAZFMAOPPB-SIKLNZKXSA-N 478.663 1.868 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(CC)CCS(C)(=O)=O 1740764720 YDDPJELIRMSRAC-UYAOXDASSA-N 450.609 1.992 30 10 JDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nn(C)c(=O)cc2C1)c1ccccc1 1740796558 BSPJEEBGXCPCGA-MRXNPFEDSA-N 469.571 1.258 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OCC)CC1 1740851449 WQOFERLBPILRTG-KRWDZBQOSA-N 484.623 1.492 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1740880917 QTPQUHDSHIKBQP-GOSISDBHSA-N 470.578 1.504 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CCN(C)CC1 1740899582 NTOHSIFTBHDWTD-MRXNPFEDSA-N 458.654 1.061 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCNC(=O)CC1 1740956696 OVBUPCWIGONWJQ-UHFFFAOYSA-N 450.499 1.746 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(=O)CCC)CC1 1740959156 LWXCOVUCAXVCGT-UHFFFAOYSA-N 457.535 1.193 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1740987066 OLMALOBRHCWSGL-JKSUJKDBSA-N 451.597 1.967 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCS(C)(=O)=O 1740988865 RRAQXJXNMRUADO-UHFFFAOYSA-N 464.972 1.819 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1740991038 MSBQHSXSQYKVIX-HZPDHXFCSA-N 461.544 1.106 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCS(=O)(=O)NC 1748686362 NUZRQXBXCXQLFX-CYBMUJFWSA-N 456.366 1.627 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1748821771 VHOGOBSOPPLKGP-LJQANCHMSA-N 454.556 1.308 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCOCC1 1748864052 OFIJVQITSPDYIC-FQEVSTJZSA-N 484.626 1.232 30 10 JDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749047466 XDQDBFOJWAYPMK-LJQANCHMSA-N 484.582 1.705 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1749210394 ISKWDNQTCZNQJH-UHFFFAOYSA-N 482.589 1.263 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cn2)CC1 1749213445 KKQWOGCNHCSIOO-MRXNPFEDSA-N 467.571 1.342 30 10 JDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1749466016 ZQJAHQOSMYLBSV-AZUAARDMSA-N 462.620 1.892 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1749650552 BCQOZPSODMFFKF-SFHVURJKSA-N 465.489 1.945 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1749652390 MTEXSOKKLMNXIE-HNNXBMFYSA-N 461.320 1.651 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749652659 QPKWDCCLZGVIFI-DNVCBOLYSA-N 476.965 1.715 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCS(=O)(=O)CC1 1749652863 VCIIDPWLTRXHHG-UHFFFAOYSA-N 472.596 1.914 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)CC1 1749690946 XITASBICCYPXJJ-QGZVFWFLSA-N 450.586 1.362 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1749732429 WMCDNPSANBZORD-LQWHRVPQSA-N 454.593 1.895 30 10 JDEE CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cccn2)CC1 1750209459 HBWHLVLXXBURKF-UHFFFAOYSA-N 470.559 1.097 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1760185137 QFQHTCFHXYXRRU-HLAWJBBLSA-N 453.568 1.995 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 1760192904 ZMDWALYEDHQQLA-KRWDZBQOSA-N 477.537 1.548 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1760219304 AODCRHXWNVOORI-MZKRTTBSSA-N 475.615 1.279 30 10 JDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760225968 FGHDQIGVHUUFLO-QGZVFWFLSA-N 493.659 1.288 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1760440394 ITGOVPCAWXVOFD-LJQANCHMSA-N 461.636 1.944 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)C1CC1 1760476941 KYAQBEJLNNCLDK-ZMMAXQRCSA-N 453.609 1.969 30 10 JDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760512298 WUEPMMDEBAIGAY-UHFFFAOYSA-N 487.674 1.689 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1760519572 ITDUFQMKFHNNOG-HXUWFJFHSA-N 467.530 1.576 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(C(=O)NC)C1 1760532477 WFPUIECHCBWOTM-AOMKIAJQSA-N 476.603 1.464 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(C(=O)NC)C1 1760532480 WFPUIECHCBWOTM-ZHRRBRCNSA-N 476.603 1.464 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1760559131 JLPGWIDJXIZIBL-RDGPPVDQSA-N 454.593 1.466 30 10 JDEE CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 1765496929 DBVVKCUZNVHKEA-CLOONOSVSA-N 464.618 1.805 30 10 JDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1767543173 BXEREMAZLRRQGB-LJQANCHMSA-N 465.558 1.417 30 10 JDEE CO[C@@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1768164794 ARVMUVUJIBWHCR-VXKWHMMOSA-N 459.572 1.762 30 10 JDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1769112172 GXTIUSWCIWLBLF-QFBILLFUSA-N 456.547 1.741 30 10 JDEE C[C@H](NC(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1)C(=O)Nc1ccc(C#N)cc1 1866649485 VSUYPNXJHZQKHC-LIRRHRJNSA-N 475.548 1.276 30 10 JDEE N#Cc1cccc(C(=O)Nc2nc(N3CCN(c4ccccn4)CC3)nn2[C@@H]2CCS(=O)(=O)C2)c1 1870053836 OUEMWJGDVUTICN-LJQANCHMSA-N 492.565 1.483 30 10 JDEE CCCCCCCCn1cc(OCC(=O)NCCCO)c(=O)cc1CN1CCC(C(N)=O)CC1 1870357087 YJXPVFKEFPKYPT-UHFFFAOYSA-N 478.634 1.784 30 10 JDEE C=CCn1c(C(=O)NCCCN2CCOCC2)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873594644 YKXGWDSOMBXTGK-UHFFFAOYSA-N 485.589 1.348 30 10 JDEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3/N=C/c3cccc(O)c3)CC2=O)cc1 1874199404 MTPGVJSAPZGCGN-SWKNLOBNSA-N 466.523 1.972 30 10 JDEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3cc(-n4nc(C)cc4C)ncn3)CC2)cs1 1889958744 DNFHHTGBYQJFIN-UHFFFAOYSA-N 452.544 1.614 30 10 JDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC[C@@H](C(=O)N3CCOCC3)C2)[C@H]1c1ccc(C#N)cc1 1890705902 WQMPCFUDDVFHOF-FCEUIQTBSA-N 470.595 1.659 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H]1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2255795344 GBPCPAWUEXWGSN-CYBMUJFWSA-N 473.426 1.871 30 10 JDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2266974205 OVRLJBNOIPUXAU-UHFFFAOYSA-N 450.316 1.837 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](O)(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2267380113 YWQDNSYHVPRBNB-FQEVSTJZSA-N 488.437 1.698 30 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COC(=O)CCOc1ccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 1211463959 DSWZOGNVARRNJQ-RHSMWYFYSA-N 453.517 1.666 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1286386966 LAZCMVSIPDVKJA-BBTUJRGHSA-N 474.583 1.632 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1286390937 ASWKBLPHWYCULB-HXUWFJFHSA-N 468.583 1.709 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(Cn2cccn2)c1 1286419545 AMGMPVDLVOCRDM-LJQANCHMSA-N 465.583 1.644 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCC(=O)N2)CC1 1286473734 SFBHNUUDNGHOAM-OAHLLOKOSA-N 461.339 1.881 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1286510078 ZZNRSOLWGKEENO-SQGPQFPESA-N 454.618 1.321 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)C)CC1 1286554549 HTJKYKVDIMXYTG-OTWHNJEPSA-N 465.620 1.466 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N2CCCC2)CCOCC1 1286758508 OYFMORDUDPXULP-HXUWFJFHSA-N 494.662 1.434 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)NC2CC2)CC1 1286784618 NVPQCCVEWQFUNG-UHFFFAOYSA-N 457.966 1.301 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1286791931 HOLNLLQZBYNHNY-NRFANRHFSA-N 463.535 1.313 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cscc2C)C1 1286810904 XJCWUSMZVIWNQV-ROUUACIJSA-N 467.617 1.811 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCNC(=O)[C@H]1CC 1286815588 XLJGDVVAXQSYIF-GOSISDBHSA-N 463.560 1.278 30 10 JDEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)CC1 1286917859 AEOXPYPEBHNDKU-UHFFFAOYSA-N 456.572 1.746 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC(=O)NC(C)(C)C 1288154317 DQDCAVQMSCXGSN-UHFFFAOYSA-N 467.578 1.314 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2CCOCC2)CC1 1296287483 AFIHECAXBDABBI-UHFFFAOYSA-N 451.575 1.892 30 10 JDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC(F)F)C1CCN(S(C)(=O)=O)CC1 1296954718 XOFFHYKBOQOICL-OAHLLOKOSA-N 451.536 1.811 30 10 JDEE CN(C[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)C1)S(C)(=O)=O 1298547709 HBYKWWVCIMRSIR-IBGZPJMESA-N 488.614 1.466 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1300339345 MNSRZVMPUYRMGG-KRWDZBQOSA-N 476.578 1.793 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)cc1OCC)[C@@H]1CCS(=O)(=O)C1 1300480036 XAFCFNUNWSPPFV-LJQANCHMSA-N 473.599 1.798 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1300495401 HBDSOYTVYLDAOK-MOPGFXCFSA-N 466.629 1.697 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(Cc2ccccc2)c1 1300555959 ARUNCYYILMILHE-IBGZPJMESA-N 465.583 1.644 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCOCc2ccccc2)CC1 1300700825 XJKJSDKMFCXQQV-JOCHJYFZSA-N 471.627 1.932 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2nc(C)c(C)s2)CC1 1300725302 GJVGMTPNXDGYGB-SFHVURJKSA-N 490.655 1.462 30 10 JDEE CO[C@@H]1COCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1300853640 GYLKGWDBHVTAKH-RTBURBONSA-N 468.562 1.061 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1301557214 NPCOVUVCIRBTMG-HBMCJLEFSA-N 460.623 1.896 30 10 JDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1312731748 MKEKSITXXOXQQO-PNKHAZJDSA-N 450.536 1.944 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1358959785 PPOJSASZGXJQNV-LJQANCHMSA-N 454.556 1.845 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCCCN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1358960354 COXDUGXGCJJMHR-NRFANRHFSA-N 485.658 1.385 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc2cccc(Cl)c2n1C 1358985076 OJWSPVBILZDORC-HNNXBMFYSA-N 473.990 1.940 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1358991880 RPYLJYVEYIZOHF-RUZDIDTESA-N 457.538 1.616 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CC=CCC2)CC1 1359046679 BFZDIKRLOMUAJC-UHFFFAOYSA-N 481.626 1.497 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](Cn2cccn2)C1 1359048432 QSYJTRUGZQAMJB-KRWDZBQOSA-N 452.544 1.394 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359183803 URAXTBSNCHFTPX-BJLQDIEVSA-N 495.694 1.479 30 10 JDEE C=CCCOCCn1c(N2CCS(=O)(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359229939 ZPKPVXHNVRDVOA-CALCHBBNSA-N 469.608 1.876 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359255887 NPKVUTRBRVSQIB-QHCPKHFHSA-N 464.551 1.954 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C 1359265320 CXJIETNMUVVHGB-HSALFYBXSA-N 491.662 1.093 30 10 JDEE C=CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1359287748 TVRMWPYEQKRXSV-LVQVYYBASA-N 453.565 1.095 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1359287874 ZXVMACOQPGVYMU-ROUUACIJSA-N 493.565 1.337 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1359334804 RGANUWHNISSSBG-UHFFFAOYSA-N 487.626 1.779 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccn1 1360475456 AWYPJJBIPXREFV-IAGOWNOFSA-N 461.592 1.722 30 10 JDEE C=CCC1(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)CCOCC1 1461426427 USTNPFJNAGMFGK-UHFFFAOYSA-N 453.536 1.534 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2Cc3cnn(-c4ccccc4F)c3CC(C)(C)C2)C1=O 1470610965 RCNMBGRGPMWYPT-UHFFFAOYSA-N 453.474 1.899 30 10 JDEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1499949396 IAFUHVVWJYTQCF-DEOSSOPVSA-N 467.574 1.942 30 10 JDEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CC(=O)N(CCOC)C2)c2ccccc2c1=O 1502359582 CEVKXRUODSFYFH-ROUUACIJSA-N 492.584 1.908 30 10 JDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1507554757 XBMZRGVDYQHTNU-VXKWHMMOSA-N 483.661 1.944 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCOCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507631322 CRXOTUVDUXWYNG-NHCUHLMSSA-N 480.631 1.632 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 1507631859 GSQAQFVIOMPRAK-UKRRQHHQSA-N 468.004 1.814 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1c(F)cc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1507632097 WRROUADXCNGXSL-LBPRGKRZSA-N 480.447 1.967 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1507635496 SROWRLUEJOQMPY-AUSIDOKSSA-N 490.651 1.567 30 10 JDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1507728130 OUPWXSYZEPGPCT-OAQYLSRUSA-N 484.674 1.332 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCC(=O)N(C)C)CC1 1507740228 QKLIEPSAFFYNQZ-UHFFFAOYSA-N 457.604 1.468 30 10 JDEE C=CCCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C(=O)NC)C1 1507968091 QAVYZNAKLKJPSC-IBGZPJMESA-N 492.621 1.937 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1508072213 OMQIEIFPNHNZLN-UHFFFAOYSA-N 474.512 1.583 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1508080946 GLXXJQCVRQVCNR-UHFFFAOYSA-N 477.569 1.833 30 10 JDEE C=CCOc1ccc(Cn2c(N3CCO[C@@H](C(=O)NC)C3)nnc2[C@]2(OCC)CCOC2)cc1 1508104437 LCWMPOMSZZVHSL-YKSBVNFPSA-N 471.558 1.495 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CCN3CCOCC3(C)C)CC2)c1C#N 1511662889 BDJPJVHZUUFOGZ-UHFFFAOYSA-N 469.638 1.927 30 10 JDEE C[S@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1 1519636201 FKZJPKQQDYYTPR-YTTGMZPUSA-N 492.627 1.158 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539219228 BOPUKFOMOVCFDW-MJGOQNOKSA-N 463.604 1.200 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1539319846 IJELUPFAAIUYBP-ZNTNEXAZSA-N 474.521 1.952 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1nc(C)cs1 1539369957 QJGUUDCKHDKEOA-ZBFHGGJFSA-N 452.606 1.639 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(c3ccccc3C)CC2)CC1 1539430047 GSDBYNIUPMUCMW-IBGZPJMESA-N 456.616 1.684 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1539477408 LOAJOJSSFIHHJJ-KDURUIRLSA-N 480.617 1.589 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1539490505 WPVQRSCFOCCTGQ-UHFFFAOYSA-N 466.611 1.772 30 10 JDEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](C(=O)NC)C1 1539742554 GEKNBGPHSKDXTJ-KRWDZBQOSA-N 475.619 1.793 30 10 JDEE CC(=O)N[C@](C)(C(=O)N1CCN(c2ncccc2C#N)CC1)c1ccc(S(C)(=O)=O)cc1 1540602834 JFGZXAHKUOSQIV-QFIPXVFZSA-N 455.540 1.057 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1540868392 CSLJFDTXZSJNKC-UHFFFAOYSA-N 454.510 1.455 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cnc3c(Cl)cnn3c2)C1 1540884889 XDNSNGGOALFZON-ZBFHGGJFSA-N 495.009 1.608 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCS(C)(=O)=O)C1 1540885866 QIBHVPGGYQYSDU-KRWDZBQOSA-N 468.601 1.565 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@H](C3CC3)C2)nnc1[C@@]1(OCC)CCOC1 1540908631 KKBPVCDDJLRUED-DJPFJPOOSA-N 454.593 1.535 30 10 JDEE CC(C)(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1541233024 BENXVNZXELKPAS-SFHVURJKSA-N 495.627 1.565 30 10 JDEE CC[C@@H](C)N(C)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1545656801 ANFKWTZBSOTHEU-QGZVFWFLSA-N 470.626 1.387 30 10 JDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 1561149526 YWJPPIFADFOCHM-QZTJIDSGSA-N 458.989 1.397 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(CO)c2ccc(Br)cc2)cc1 1570772462 OHHBARYQEYZHNX-IBGZPJMESA-N 451.342 1.998 30 10 JDEE C#CC[C@H](COC)NC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 1586386453 OWCQBADPFGBISS-KGLIPLIRSA-N 459.362 1.675 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CC2(C)C)c1 1587683212 DXVLIONAZKNKQW-WBVHZDCISA-N 458.588 1.991 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(F)(F)Br)[C@@H]1CCS(=O)(=O)C1 1588050147 PFHBTVDOCOWYPX-GFCCVEGCSA-N 463.308 1.293 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 1588050999 ZCUJHBMRFUOUQO-HXUWFJFHSA-N 454.556 1.500 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCc1ccco1 1588099678 VRZZWOLOTHJFCX-UHFFFAOYSA-N 480.550 1.178 30 10 JDEE N#Cc1cn(CCC(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)c(=O)nc1O 1588312989 CGJSSGMWHFDZHM-UHFFFAOYSA-N 450.282 1.502 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCCC[C@@H]1C 1588384842 CPPRBIGATRYOHD-VQTJNVASSA-N 466.652 1.725 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1589069244 JGCZSPVUKSZHLS-DLBZAZTESA-N 453.634 1.240 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1589405323 QLZOUWCMOXPLDD-MCIONIFRSA-N 460.398 1.754 30 10 JDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1CC(=O)N1CCN(c2ccccc2)CC1 1595229094 MSMBEEGOLZHGBE-UHFFFAOYSA-N 463.586 1.928 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1595556126 OMYRAINLQIUQHX-KRWDZBQOSA-N 469.565 1.099 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1595778365 YIPITJOQHPWUFZ-MRXNPFEDSA-N 490.586 1.119 30 10 JDEE C=CCSCCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1595906054 WVXQQVFHPCFUHQ-QFIPXVFZSA-N 475.619 1.825 30 10 JDEE C=CCN(C(=O)c1cn(CCOc2ccc(C=O)cc2Cl)nn1)[C@@H]1CCS(=O)(=O)C1 1626456135 FIOMTBWHRNZDTR-OAHLLOKOSA-N 452.920 1.638 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)CC1 1636475783 XDMQODCZOFNMSS-UHFFFAOYSA-N 458.462 1.058 30 10 JDEE C[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)[C@H]1CNC(=O)OC(C)(C)C 1648632189 AVJDQGWKDRFLLQ-QAPCUYQASA-N 450.561 1.988 30 10 JDEE C=C(C)COCCNC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1685536792 MUHZVRUYKADIFZ-UHFFFAOYSA-N 459.590 1.007 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCN(c4ccccc4F)C3)CC2)cc1 1686662971 HCZSIRLDBOKAOL-GOSISDBHSA-N 457.531 1.992 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nc(C)cs2)c1 1689868258 AWDGEKSUZZTLKO-OAHLLOKOSA-N 487.611 1.758 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1689929987 IVJSOWRKOZMAAU-MOPGFXCFSA-N 480.635 1.013 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOc1ccc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1689988957 ZKPICTJNGCHHOM-KRWDZBQOSA-N 475.962 1.433 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(C)COCCO1 1690025171 HMOUDSFGEAOFMD-AREMUKBSSA-N 462.598 1.521 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N1CCOCC1 1690189941 GYXGJRBFNRKMFS-NHCICSSKSA-N 486.642 1.954 30 10 JDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1690225556 COYZRNSUENAFMW-CQSZACIVSA-N 463.384 1.376 30 10 JDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1690351091 HOKRUUYOJHJXLL-MJGOQNOKSA-N 478.041 1.970 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN2CCOC[C@H]2C1 1690660724 NPVWFNNVCXFOPQ-WOJBJXKFSA-N 454.575 1.858 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(Br)ccc2C1 1690669829 PYZDTCNBEZUUGX-MRXNPFEDSA-N 459.348 1.857 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(C(C)(C)C)no2)C1 1690700227 PBWXFIVCBZDXMT-WMZOPIPTSA-N 494.618 1.726 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(N2CCOCC2)nc1 1692527714 FMZFDWDFCUQYRR-HSZRJFAPSA-N 452.563 1.826 30 10 JDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1)OC 1697756464 DFTIVTCSWMVLRM-UXHICEINSA-N 454.531 1.306 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1705561159 NVGIKLVNCMJNNF-HNNXBMFYSA-N 477.497 1.350 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCS(=O)(=O)C1 1705564928 FSDPPCFRZOQGMI-JLUOLNIDSA-N 472.571 1.089 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705568165 ISFPCKHBBBKKEM-NRFANRHFSA-N 490.674 1.682 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(CS(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1705570470 PZGFKTXURNSNNO-QGZVFWFLSA-N 497.668 1.085 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@](C)(O)c2ccccc2)CC1 1705632099 HWEFQYWMFCNMQY-RUZDIDTESA-N 459.554 1.978 30 10 JDEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@@H](CC)OC)CC1 1705641831 VSFGTWZKEDDMHU-XMMPIXPASA-N 465.646 1.823 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(Br)ccc2OC)CC1 1705642076 FVLKBUOMFDAVRT-UHFFFAOYSA-N 487.402 1.975 30 10 JDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1705651911 KWBQGLYXNGFLME-UHFFFAOYSA-N 461.636 1.901 30 10 JDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705724373 JZPNOERROMMIPH-UHFFFAOYSA-N 471.587 1.628 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CC1)CNC(=O)C2 1705805642 LCGXBROFLBJMSW-KRWDZBQOSA-N 466.608 1.074 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N1CCOCC1 1705860761 OGWVIYQXHHLZDQ-UHFFFAOYSA-N 452.559 1.956 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705906476 GULIFLDLBNTYRO-UHFFFAOYSA-N 494.531 1.119 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2COCCO2)c1 1711018015 HRZUIZLHZDXEAH-UZLBHIALSA-N 464.523 1.053 30 10 JDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1722362120 SHWVCGPAASCQAT-HXUWFJFHSA-N 454.556 1.794 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722371447 JAXXPVNUYFVHFB-WOJBJXKFSA-N 485.614 1.662 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2CCC(=O)N2)CC1 1722432075 VTFRJIBOHFZSBS-RTBURBONSA-N 452.559 1.851 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1722448393 SYJTZWOSMYBKTM-NTKDMRAZSA-N 468.558 1.313 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc2n1CCC2 1722662138 VMNIXBLNDRVTOP-AWEZNQCLSA-N 462.605 1.728 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1F 1722681991 VTSXKJZKYKSBJW-LJQANCHMSA-N 467.567 1.746 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2ccsc2)CC1 1722702059 JIJXJWFCDNYYDB-UHFFFAOYSA-N 454.604 1.826 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccccc2OC)CC1 1722702323 HQIBACZPIXBHBF-AVRDEDQJSA-N 470.574 1.640 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1722714099 GNSMCZBKPPTGPR-QUCCMNQESA-N 456.572 1.880 30 10 JDEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(N(C)C)CCOCC1 1723785447 GZORLMOGELYQSE-QGZVFWFLSA-N 455.563 1.540 30 10 JDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1740576518 YZWIRKOMEXAFEV-FQEVSTJZSA-N 456.591 1.526 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1740624998 LSTPPODXHQJGIF-IBGZPJMESA-N 456.597 1.898 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1740690060 GLWGIZXUPLTMNG-HRAATJIYSA-N 481.022 1.205 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2OC)CC1 1740700506 BTLSRNABSJSNMU-UHFFFAOYSA-N 450.543 1.537 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCNC(=O)C(C)(C)C)CC1 1740703777 DYDPJNJGYWXJLY-UHFFFAOYSA-N 494.596 1.844 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC(F)(F)CO1 1740731781 HKSVTXREQCMUTB-RLFYNMQTSA-N 459.519 1.027 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740758720 BGLQWOWBRZLEBO-OFNKIYASSA-N 453.591 1.455 30 10 JDEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740788976 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462.352 1.585 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1286782285 PVESEHOLRYSAAF-VQIMIIECSA-N 476.603 1.359 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCN1CCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1300487071 FNVBEUKYXJORPB-MRXNPFEDSA-N 498.030 1.261 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1300489852 UGXWLIWRKHKZEC-PKTZIBPZSA-N 485.654 1.981 30 10 JDEE C#CCN(c1nnc(CC)n1Cc1cc(OC)c(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1300498526 LFISUURHORRROK-QGZVFWFLSA-N 462.572 1.931 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(c3cccc(OC)c3)CC2)CC1 1300683117 LOOFSKOXWXEACW-GOSISDBHSA-N 472.615 1.384 30 10 JDEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@H](CC)OC)CC1 1300686271 ZEWVZDKAYAEQSZ-GOSISDBHSA-N 459.620 1.727 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(CC)noc2C)CC1 1301087025 RVJDHJARCFSNLM-SFHVURJKSA-N 450.565 1.675 30 10 JDEE C=CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301178999 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C#CCN(c1nnc(-c2cccnc2)n1CCCN1CCCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358960460 FIGTXTJHBBKNQY-CTNGQTDRSA-N 472.615 1.468 30 10 JDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCCOCC)CC1 1359034450 RADJAIHXQXZRMW-UHFFFAOYSA-N 459.620 1.810 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCOC2)CC1 1359042026 OZKWMTYGCLZHNZ-KRWDZBQOSA-N 483.569 1.973 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2([S@@](C)=O)CC2)CC1 1359042309 AKTLOYVCPFQGOR-UUWRZZSWSA-N 485.610 1.839 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2cccs2)CC1 1359045346 CXYJXUBVQJVTEX-VGSWGCGISA-N 491.639 1.115 30 10 JDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1359135084 RHQFQBLGHKQLDJ-GOSISDBHSA-N 451.535 1.389 30 10 JDEE C=C(Cl)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC(=O)NCCOC)CC1 1359148259 JLBKWOVHDGBABS-UHFFFAOYSA-N 484.992 1.768 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCNS(C)(=O)=O)CC1 1359179370 SUGOCQKMROIZNJ-SFHVURJKSA-N 498.650 1.928 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359295831 OYLHTKUYCVGVAP-FQEVSTJZSA-N 477.338 1.865 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C2CC2)C(=O)C1 1359300648 HIIQSRDTLLTOIE-UHFFFAOYSA-N 487.605 1.506 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1359331377 WWBUSTYXAYDURL-SFHVURJKSA-N 458.592 1.999 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1359335607 PWEPKTKWVODJMA-UXHICEINSA-N 480.562 1.981 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCN1CCOC[C@H]1C 1360237498 HGAUZEBLWVZRKE-GOSISDBHSA-N 484.580 1.474 30 10 JDEE COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1456647099 HYJLTZZKTCYMSV-KRWDZBQOSA-N 456.524 1.672 30 10 JDEE C=C(C)C[C@@H](NS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1)C(=O)OCC 1464385725 UWKILPDTTOIQOT-RBUKOAKNSA-N 454.545 1.841 30 10 JDEE CCS(=O)(=O)NCCn1c(CC(C)(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1503283685 BHEKFZHAGDRHIQ-UHFFFAOYSA-N 473.647 2.000 30 10 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1.347 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1705749696 FIRNUGBMXKCMJM-QAPCUYQASA-N 479.006 1.910 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CN(C(=O)OC(C)(C)C)C1 1705875873 IQLSRCLWJXRRDD-SFHVURJKSA-N 496.634 1.656 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705895986 ZDIUYVMITQLPNR-HNNXBMFYSA-N 469.514 1.862 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C(=O)NC)C1 1705896008 ZPUBKNHGIURMJW-LBPRGKRZSA-N 450.341 1.300 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CC(=O)N(C)C)CC1 1705899586 YSPYGCDBAWPMGJ-UHFFFAOYSA-N 454.531 1.671 30 10 JDEE CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cc1OC 1710530623 IDJGKSNMEHYBTJ-OXQOHEQNSA-N 492.602 1.662 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCNS(C)(=O)=O 1722278301 PHBNYIUZIUNAMX-LBPRGKRZSA-N 456.366 1.723 30 10 JDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1722330269 RYHYJDVZLJUQKY-INIZCTEOSA-N 456.572 1.865 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1nccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1722368270 QNISTMAOJVBYSH-HUUCEWRRSA-N 484.504 1.460 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1722368595 TYHIEEXBEZCKMR-MOPGFXCFSA-N 459.572 1.029 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1722371261 VEXRKSSBRYWRIT-JXXFODFXSA-N 450.586 1.726 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(c3ccccn3)CCC2)CC1 1722444596 LHROGDIAGTZLDT-GOSISDBHSA-N 499.641 1.371 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCS(=O)(=O)CC2CC2)CC1 1722449016 KVGBYWPGFHTMLE-UHFFFAOYSA-N 487.601 1.799 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(F)c(F)c2)CC1 1722450132 YIQGJFDZLXWOAV-UHFFFAOYSA-N 456.497 1.693 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1722451229 HGNGHFGQFMDMKJ-QGZVFWFLSA-N 473.628 1.453 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1722458378 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479.585 1.364 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(OC)CCOC2)c1 1760128204 BNADAKDKHRDYRG-JPYJTQIMSA-N 487.582 1.042 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1760183119 MNXLOMQQHYLQBC-LAUBAEHRSA-N 461.975 1.704 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760183828 RPHBEAYISSPKQC-HXUWFJFHSA-N 458.584 1.676 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760193222 WWWCQLBAUXZKKL-ZRSRNVLSSA-N 452.577 1.054 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CN(CC(C)C)CCO1 1760202044 RBIUPMJUEBMROB-HXUWFJFHSA-N 473.581 1.622 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1760211609 KOOLTHDZYKNCQV-DNQXCXABSA-N 473.643 1.601 30 10 JDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)CN1CCN(CC)CC1 1760232200 WGIRFUGUUZHGGO-FQEVSTJZSA-N 486.690 1.971 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760247588 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459.591 1.581 30 10 JDEE C=C(Cl)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1286629589 FCVROBUOKRWPDT-UHFFFAOYSA-N 476.940 1.268 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(C2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C 1286752055 WMNGHXBAWWGLTI-LEWJYISDSA-N 469.634 1.781 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1286789406 GKCAQKVRLNKSQQ-UHFFFAOYSA-N 458.448 1.938 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286791214 PZKSJZYWBIZMQU-IBGZPJMESA-N 474.512 1.277 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286791823 DNMZKIVQMJVWIB-CQSZACIVSA-N 480.356 1.680 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1286793199 AFJRGWSTFWNPRR-HXUWFJFHSA-N 458.538 1.902 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1286814761 GDGOOGWSVLSOEW-IIBYNOLFSA-N 477.543 1.838 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)c2ccco2)CC1 1286822365 JDULMYHMKVQNOB-UHFFFAOYSA-N 490.611 1.790 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1300483341 KSLALAHJEIZPCV-YKSBVNFPSA-N 488.610 1.808 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300494046 XVVSPHVXVKGHIO-ZACQAIPSSA-N 494.618 1.111 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300496310 PPQVKBMBTGVWGO-RIYSCVPDSA-N 456.634 1.346 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1300501354 KCGPXWCZMQUUJL-WWEVIYMKSA-N 484.626 1.940 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1300665828 OREAHVOZJJJFBB-QZTJIDSGSA-N 459.513 1.911 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1300731837 XBTVONLPCGVWJK-BXKMTCNYSA-N 471.533 1.502 30 10 JDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)CC#N 1300853196 FOPBZOSAYPULPG-XKGZKEIXSA-N 476.603 1.985 30 10 JDEE 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C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCC(F)F 1507650628 PBWHURKPWSASEC-UHFFFAOYSA-N 464.517 1.847 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507712074 POYVHFNHUFTDMX-GOSISDBHSA-N 466.007 1.890 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(N(C)C)CCOCC2)CC1 1507719696 DXEQGTXIFNZKOK-UHFFFAOYSA-N 453.547 1.719 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCC(=O)N2)CC1 1507728150 VTTMRIOGAIHYQW-QGZVFWFLSA-N 473.375 1.653 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ncc(CC)s2)CC1 1507741288 YRSDGFABADWIPF-UHFFFAOYSA-N 455.588 1.434 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1507762183 WJYPFCUSLCXNJX-PKTZIBPZSA-N 473.599 1.879 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1507804100 IKNVBISVNPODIK-OMZCGLGVSA-N 482.651 1.026 30 10 JDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1507844298 HLPSBRLZCUQXKU-LJQANCHMSA-N 455.563 1.933 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)(C)C)CC1 1507955345 XEBOPQCFLZLBPY-GOSISDBHSA-N 454.641 1.888 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(O)cc1 1508039798 QPLATZMPKQVDNH-SFHVURJKSA-N 451.549 1.004 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1508086437 YXEVBJDXHCBGDD-UHFFFAOYSA-N 466.633 1.483 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1508098427 OZQUKXCGPVDWCX-OALUTQOASA-N 489.621 1.957 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)COC(=O)N2 1508106488 UOQSAGXDHUFWBB-INIZCTEOSA-N 490.586 1.580 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1508136317 RGROURXFPCINFG-QGZVFWFLSA-N 461.979 1.771 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1539126116 SHKALZSFCYXFTH-MRXNPFEDSA-N 459.532 1.223 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1539218939 GCGBZNOCJDRSAK-HXUWFJFHSA-N 473.574 1.694 30 10 JDEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1539960028 UIHBBRMQUXIIIR-UHFFFAOYSA-N 453.547 1.204 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1540862057 PTKHTLDWPYSYOA-FQEVSTJZSA-N 478.557 1.761 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)NC)CC1 1540867224 ONPUSZJPZSFWCI-UHFFFAOYSA-N 462.352 1.471 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(S(C)(=O)=O)CC2)cc1 1540877533 YNTFURHIMWWBAI-INIZCTEOSA-N 497.643 1.515 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1540899740 YSOZAQSKXZXMBO-MRXNPFEDSA-N 450.952 1.413 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1540901281 YSLSSZGAQDVOBS-AZUAARDMSA-N 460.604 1.488 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1540904378 MWXGNRVEDLUVBT-UHFFFAOYSA-N 499.597 1.560 30 10 JDEE C#CCN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@@H]1CCOc2ccc(Br)cc21 1543685684 LSXZUIHZACDPRT-MRXNPFEDSA-N 457.284 1.959 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOc2ccccc21 1588233831 RXCZHUHDPNBQFU-KNQAVFIVSA-N 483.594 1.640 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1CCNS(C)(=O)=O 1588561008 YLLUBLXGPGVOBJ-UHFFFAOYSA-N 462.576 1.962 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1588574669 PLEJGDLOZHSHJU-OALUTQOASA-N 469.590 1.899 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCC(O)CC1 1588638088 OHPLUBSQRRSSNI-UHFFFAOYSA-N 465.558 1.527 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[C@@H]1NC(=O)NC1=O 1595116201 QDMKUETXIVIMQJ-ROUUACIJSA-N 472.571 1.361 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](CN2CCOCC2)C1 1595405390 MYFILNABMAGYBE-MOPGFXCFSA-N 462.595 1.931 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(CC(=O)NCC)CC2)nnc1C1(c2ccccc2)CCC1 1595602300 JBLNIZRQOMGFMU-UHFFFAOYSA-N 465.602 1.308 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCS(=O)CC1 1595766705 WMWPFCJXHOFJOM-UHFFFAOYSA-N 460.585 1.505 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1595796968 CJPCHGMZXXCRKH-OAHLLOKOSA-N 483.532 1.795 30 10 JDEE CCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)CCOCC1 1613744586 BHPOXCHISAJERS-NQIIRXRSSA-N 480.635 1.948 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@]2(COC)CN(C(=O)OC(C)(C)C)CCO2)n1 1626714015 OIJRBNLWTUCKEF-QFIPXVFZSA-N 450.536 1.144 30 10 JDEE C=CCn1cc(CNC(=O)c2cc(S(=O)(=O)NCCOC)ccc2Br)nn1 1626977141 OCMHOHKPNVBWAE-UHFFFAOYSA-N 458.338 1.081 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](CCNC(=O)C(F)(F)F)c3ccccc32)C1=O 1635943341 JDQPOJQKILNGEF-GFCCVEGCSA-N 452.389 1.162 30 10 JDEE C=CCOC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1)C(=O)OC 1639559009 RWMLMTQEYFEKKT-LJQANCHMSA-N 452.573 1.873 30 10 JDEE CC(C)(C)OC(=O)N1CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)[C@@H](C#N)C1 1658589009 BTHLYSZDDDNOAD-INIZCTEOSA-N 459.503 1.941 30 10 JDEE Cc1ccc(NC(=O)COc2ccc(CCNS(=O)(=O)N3CCO[C@@H](C#N)C3)cc2)cc1 1661604521 HPVAJADEAZOSIW-NRFANRHFSA-N 458.540 1.614 30 10 JDEE C#CCN(C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 1670840097 RFLKZXPRUIFRGM-MRXNPFEDSA-N 455.558 1.134 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1689982924 XEFVHJIICUDGGO-WIYYLYMNSA-N 464.613 1.861 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1689994329 WJPGGQFCSXBOQR-NRFANRHFSA-N 452.584 1.862 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNS(C)(=O)=O 1690102906 XFZZCUGEIRJHNV-QGZVFWFLSA-N 484.623 1.028 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC(OC)CC1 1690104012 KILXEFLKRXVXBR-GOSISDBHSA-N 467.636 1.156 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nc(C(F)(F)F)cs2)CC1 1690134923 LCPFNTQSSDXZMG-UHFFFAOYSA-N 483.520 1.906 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ncccc2N(C)C)CC1 1690137819 JPHPDUQELKYVRW-SANMLTNESA-N 495.628 1.794 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)NC2CC2)CC1 1690140209 QFPWDPVIYFZTCY-UHFFFAOYSA-N 459.554 1.841 30 10 JDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1690294395 BMRFGIDLGMHTCE-UHFFFAOYSA-N 471.631 1.980 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1690670994 NBSMXRUZISCLKH-HZPDHXFCSA-N 478.644 1.885 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1690726585 FNAFLCFQYNHHER-IEBWSBKVSA-N 458.588 1.979 30 10 JDEE CCOCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1696222719 DKDCEJVQBMBZFS-SFHVURJKSA-N 452.563 1.885 30 10 JDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCCC2)CCO1 1697909872 DPGMKWYYDAFTNM-FQEVSTJZSA-N 489.598 1.938 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](OC)C(F)(F)F 1705716426 KXBZGAMFJCEEIL-CABCVRRESA-N 469.530 1.981 30 10 JDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705725678 MWOAVVWOPZZNNO-IRXDYDNUSA-N 484.623 1.681 30 10 JDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@]2(CN(Cc3ccccc3)CCO2)C1 1705887318 YPSLMFLBHMGGQW-AUSIDOKSSA-N 474.631 1.946 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2nc(CC)ns2)CC1 1705900654 LHMHWZCAYBZPPY-UHFFFAOYSA-N 453.576 1.691 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1705930905 YJWFMPKEJRFWSR-UHFFFAOYSA-N 489.602 1.221 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705932834 LKAMUHPZBTZVPI-MRXNPFEDSA-N 468.601 1.568 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1705934824 YJLIHHQDDBLCHI-UXHICEINSA-N 478.663 1.922 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2snnc2C)c1 1722310331 UIWUWXKXASRELU-MRXNPFEDSA-N 450.528 1.494 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)NCCCC)CC1 1722332449 LEZNEPLKMJJTQO-IBGZPJMESA-N 480.635 1.157 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1722360584 AYRBHZFBCYMAPK-HTAPYJJXSA-N 460.556 1.386 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1722369719 FESLRADEHYFAHS-GOSISDBHSA-N 459.572 1.318 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1CC1(S(C)(=O)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1722371208 HXMPXSHYANBFHZ-IBGZPJMESA-N 482.672 1.995 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722372230 RXYKFJNRAXHVSL-VQTJNVASSA-N 471.583 1.415 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(CC)(CC)SC)CC1 1722436587 BZCRUDPOPDIACP-SFHVURJKSA-N 484.692 1.288 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCOC[C@@H]2C)CC1 1722443771 NXNKERBRLKHOFF-NBGIEHNGSA-N 488.633 1.005 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1 1722473290 CEAIVRCGIGOKRH-SIKLNZKXSA-N 459.572 1.682 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1722692648 UBLBIECRFRBXNS-HXUWFJFHSA-N 452.559 1.957 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(CC2CCOCC2)CC1 1722726283 AYZOUUCUDXNPPQ-HXUWFJFHSA-N 467.636 1.669 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCCC2)c1 1740564822 YOKDYPDBIDSFHR-SFHVURJKSA-N 471.583 1.542 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)cc1SC)[C@@H]1CCS(=O)(=O)C1 1740622642 FKTRGTQXXFWKHQ-QZTJIDSGSA-N 473.624 1.935 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCS(C)(=O)=O 1740669115 MYBCVMVQTMUPHC-UHFFFAOYSA-N 456.572 1.959 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCS(=O)(=O)C1 1740684905 FIWLOAFLBBEERW-GOSISDBHSA-N 495.646 1.913 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCNC(=O)C(C)(C)C)CC1 1740692988 ROIJCZPNLMJERW-UHFFFAOYSA-N 454.575 1.880 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2noc(CC)n2)CC1 1740708355 MPNSVJYQCOZIOZ-UHFFFAOYSA-N 465.562 1.294 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NCCOC)CC1 1740756268 GOKCSQIYUIUAAP-DENIHFKCSA-N 469.590 1.206 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC(C)CC1)C1CC1 1740910623 QQPDLGPKWXWLPD-IBGZPJMESA-N 452.625 1.498 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1740950461 QENQCDVKXKILQY-MRXNPFEDSA-N 470.596 1.291 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1740950628 BGPWKYNKNCTWKK-SJORKVTESA-N 476.603 1.707 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1740957853 CBPWPYBFKJEISB-UXHICEINSA-N 473.622 1.345 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2csc(CC)n2)CC1 1740963140 ALAIJBQMMVKOQB-UHFFFAOYSA-N 483.646 1.783 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1740964176 JZHYJECNUXTZGX-NRFANRHFSA-N 468.602 1.935 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN2CCOC[C@H]2C1 1740994161 NHMOLLNGQZANTL-LJQANCHMSA-N 461.588 1.287 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)C(C)C)CC1 1741703864 GLOGSYVSRXMAAU-UHFFFAOYSA-N 452.607 1.804 30 10 JDEE CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1744144177 IABKSMSCQGMCFO-QZTJIDSGSA-N 459.576 1.198 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCCN(C)C 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C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCNC(=O)c2cccc(C)c2)CC1 1749303079 DYVHQPBYINVLGJ-HXUWFJFHSA-N 488.614 1.506 30 10 JDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)n1)C1CC1 1749508571 UNZKSYWLWXILDH-INIZCTEOSA-N 461.592 1.323 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N1CCOCC1 1749529322 CEAGVACWTIASQY-UHFFFAOYSA-N 486.536 1.848 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1749678071 VCJZERZTJXGJRY-UHFFFAOYSA-N 462.558 1.604 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1749732217 SPQSIYKXASGYMM-LJQANCHMSA-N 475.619 1.506 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1749738831 YOPHEOWODHPETN-LJQANCHMSA-N 477.635 1.482 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(F)c1 1760115611 APGYJHYCEYMSIU-CRAIPNDOSA-N 451.524 1.287 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1 1760241877 NFLNLXOEEXPPEB-REWPJTCUSA-N 491.589 1.551 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCCN2CCN(CC)CC2)CC1 1760268979 UGWZOQQWCPAOMH-UHFFFAOYSA-N 466.634 1.657 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)nc1 1760329473 BZMZBDOBYRXLPW-KRWDZBQOSA-N 463.608 1.571 30 10 JDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1760365568 BVZVKZQBYODQTB-SJORKVTESA-N 460.048 1.246 30 10 JDEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(N)=O)C1)c1ccccc1 1760418409 RWPJBEQISAEWAS-AABGKKOBSA-N 488.614 1.283 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C1OCCO1 1760495904 ZMNOOPMLPBSZEN-HXUWFJFHSA-N 489.598 1.883 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O 1760501364 NZRYTELOPRWXCG-IEBWSBKVSA-N 482.628 1.976 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(N2CCCC2=O)CC1 1760517765 XPNYVBNBJIKUCN-UHFFFAOYSA-N 468.558 1.856 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1760553535 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C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282838465 OWVZSIWASSIXHW-GJZGRUSLSA-N 484.428 1.786 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282845445 SXOSIBVMDBAJOE-DOTOQJQBSA-N 482.408 1.804 30 10 JDEE COc1[nH]c(=N[C@@H]2CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)ccc1B1OC(C)(C)C(C)(C)O1 2365345147 XYNHRJGYPDTYNU-OIISXLGYSA-N 461.368 1.858 30 10 JDEE CCOC(CCNC(=O)Cc1ccc(/N=C2\N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1)OCC 20354788 OSNVPTWWHZXOOY-IAGOWNOFSA-N 455.602 1.624 30 10 JDEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)NC3CC(C)(C)NC(C)(C)C3)n2N)cn1 20921642 YEBYDFKEKMIHGZ-LSFURLLWSA-N 462.628 1.733 30 10 JDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)c(F)c1 609255412 AXWCNVNSSLRUGO-UHFFFAOYSA-N 450.474 1.406 30 10 JDEE Cc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnn4ccccc34)c2=O)cc1C 729671075 CVNRPDRQEVUKLR-UHFFFAOYSA-N 485.569 1.525 30 10 JDEE CS(=O)(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#CC(=O)O 757472376 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C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1286592817 WUHMOIILKVPJRB-ROUUACIJSA-N 482.651 1.566 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286601158 HUJRVBIDMGAPAZ-LJQANCHMSA-N 456.547 1.691 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1286711210 JBOKTXRNRKIZQP-IBGZPJMESA-N 491.614 1.945 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)NC)C1 1286793953 QQHVLBFZMUTSPO-IRXDYDNUSA-N 475.594 1.615 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1286820532 MWACCQVBJQURMO-QGZVFWFLSA-N 476.559 1.618 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC(CC(=O)NC)CC1 1286822366 JEIXYJHQYKNSSS-UHFFFAOYSA-N 466.633 1.587 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCCN1CCCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300487892 NBTSXCAMMHYHPS-VQTJNVASSA-N 474.631 1.411 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1ccc(C(N)=O)nc1)[C@H]1CCS(=O)(=O)C1 1300489836 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N#Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccco4)CC3)n2CC(=O)NCC(F)F)cc1 1302988813 ANBWYSIHNMIPFE-UHFFFAOYSA-N 469.452 1.753 30 10 JDEE CCS(=O)(=O)NCCn1c(CC2CC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1314555999 AENYRQOJUFDRHL-UHFFFAOYSA-N 457.604 1.758 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1358959357 HHAFXKZVXNDEKF-WMZOPIPTSA-N 459.572 1.293 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCNc1nccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1358963394 HENZLOYVMOHZEA-CABCVRRESA-N 499.519 1.330 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1358967296 HPFSIFYDNMUEMT-BJLQDIEVSA-N 460.556 1.383 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1358968003 XHWODXOABIEGHR-LJQANCHMSA-N 487.626 1.818 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1C[C@]1(O)CCS(=O)(=O)C1 1358990224 GKKBCXQPWFPOFP-HXUWFJFHSA-N 477.384 1.720 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](C)OC)CC1 1359041927 MLESDBQHQQFKBI-KRWDZBQOSA-N 488.614 1.196 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCCN2CCCO)CC1 1359043060 FQGOMKDAXLGNLA-FQEVSTJZSA-N 453.591 1.096 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1359121842 KWTKVBXULFPTOR-UXHICEINSA-N 483.635 1.742 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ccccc3C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359306171 YASMGMICBHXXAO-VWLOTQADSA-N 479.585 1.819 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1359331574 CVSHKLJHRVJHIN-WOJBJXKFSA-N 467.636 1.322 30 10 JDEE N#Cc1ccc(NCC(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)nc1 1465085709 GJNIQUGYERNRIH-UHFFFAOYSA-N 458.316 1.877 30 10 JDEE CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1497376281 AXHLFLVLZUNXDZ-QGZVFWFLSA-N 455.567 1.066 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507632651 OSAIQYQXODXEGW-IAGOWNOFSA-N 451.593 1.451 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1507635635 YCFUFYOAGGCIQS-MRXNPFEDSA-N 469.489 1.016 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507638951 HZNKCLKDTOQLFS-LEWJYISDSA-N 487.626 1.513 30 10 JDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1507727927 OKCZHESWYJITJG-UHFFFAOYSA-N 493.637 1.904 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1507739538 REAMEESYXCZLPK-FQEVSTJZSA-N 479.585 1.890 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2([S@](C)=O)CCC2)CC1 1507740095 IOAUTMODAPRHIL-XIFFEERXSA-N 471.631 1.407 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)CN2CCOCC2)CC1 1507741119 UZKYGDQAMUUJAM-LJQANCHMSA-N 482.633 1.074 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(COC)cc1 1507771504 ATXRNYNZBCTBTG-NFBKMPQASA-N 473.599 1.798 30 10 JDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCS(=O)(=O)N2CCSCC2)CC1 1507897335 HWIDTLVZYIKGFI-NRFANRHFSA-N 485.676 1.711 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)NCC)c1)C1CC1 1507994266 YSGLVUKHZRGDBT-FQEVSTJZSA-N 488.614 1.564 30 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1.879 30 10 JDEE C=CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O)C1CC1 1540094039 FGRRNYZFXGSJQA-WMZOPIPTSA-N 450.609 1.775 30 10 JDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 1540099001 PAZHREWDSWOFNL-GOSISDBHSA-N 479.628 1.927 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1540854843 HRJSBGUBUYJTNS-MRXNPFEDSA-N 467.617 1.642 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1540865050 TWKADVOUWRYYEC-MRXNPFEDSA-N 469.514 1.862 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1540866739 YSRZNWBXRWHQOC-RDJZCZTQSA-N 475.981 1.663 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1540875678 UNZMFCNOKBIQLL-UHFFFAOYSA-N 494.531 1.119 30 10 JDEE C#CC[C@@H]1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)C1 1542600548 UGUUBXDNCJMUTM-GOSISDBHSA-N 458.584 1.882 30 10 JDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2CCS(=O)(=O)N2CCSCC2)C1 1555984851 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467.549 1.714 30 10 JDEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1286389431 JYTCCEUJCPKQSA-MZNJEOGPSA-N 498.609 1.463 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCCN2CCCC[C@@H]2C)CC1 1286472025 PXWZEYJBRPSZRV-VQTJNVASSA-N 465.668 1.298 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(COC)c2)CC1 1286485290 IQQGTTJQMPRLNK-UHFFFAOYSA-N 464.570 1.675 30 10 JDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C(=O)OC)C1 1286507022 ULAULHNYIRZLFB-SFHVURJKSA-N 455.588 1.818 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)CCOC 1286517735 LKLPAINIQVPBHA-PKTZIBPZSA-N 475.615 1.975 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)COC)CC1 1286783372 PSQLAUGYGKBXPF-UHFFFAOYSA-N 450.902 1.335 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1CSC 1286814072 JNJZYQUWYWJITI-HNNXBMFYSA-N 450.590 1.858 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 1295455210 GUPZVBARZLXCCU-INIZCTEOSA-N 458.378 1.840 30 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1.938 30 10 JDEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)[C@H](C)C1)c1ccccc1 1722595011 SEMWXFLCNXZLBP-ZHALLVOQSA-N 460.604 1.915 30 10 JDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCN(C(C)=O)CC1 1722666601 RAJHHOXMMNYHKN-UHFFFAOYSA-N 462.562 1.263 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 1722727051 FRMHPOLVXZRVNE-NRFANRHFSA-N 474.566 1.495 30 10 JDEE C[C@H]1CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)C[C@@H](C)O1 1726732411 DRJWMLPSKDWSJC-HDICACEKSA-N 460.604 1.797 30 10 JDEE CCO[C@@]1(c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCC(=O)N[C@H](C)CC)CCOC1 1728814000 BATAYKRYIAVDAW-CLOONOSVSA-N 496.616 1.828 30 10 JDEE CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1 1729595000 CCMYBNBDOJMKRO-DEOSSOPVSA-N 451.575 1.578 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1740621380 WNHPXXIBHVAPLA-CVEARBPZSA-N 450.492 1.285 30 10 JDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1740626898 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C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2([S@@](C)=O)CCC2)CC1 1748999085 HWOSOZSOUFWALN-JGCGQSQUSA-N 457.600 1.922 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2nnc3n2CCCCC3)CC1 1749001430 QUASCJYLXVTCKV-UHFFFAOYSA-N 495.632 1.529 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(F)(F)c2ccccc2)CC1 1749014382 HRGKWPUZTVYZRR-GOSISDBHSA-N 491.564 1.938 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749682937 DFPKOBXIEVRTQW-WIYYLYMNSA-N 496.616 1.319 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1749736606 MCCCMJBTTGNCGA-UHFFFAOYSA-N 463.579 1.913 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCSC1 1749805783 AAPFUFOKBIZZAV-SIKLNZKXSA-N 491.639 1.573 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(C)OCCc2sccc21 1751213379 IDJMHIJZYBHPRS-BKTGTZMESA-N 468.580 1.880 30 10 JDEE C[C@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1752430605 HTFQXUUJCTZXKY-KRWDZBQOSA-N 456.572 1.919 30 10 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Cc1scc(C(=O)N2CCN(C)C[C@@H]2CNC(=O)C(F)(F)F)c1B1OC(C)(C)C(C)(C)O1 2369527976 CCQMMIDBFZVXEX-ZDUSSCGKSA-N 475.342 1.790 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4cc(OC)ccc4OC)CC3)cc2C1=O 15091957 PEAQUOWGHBCCCL-UHFFFAOYSA-N 499.545 1.633 30 10 JDEE COc1ccc(OC[C@@H](O)Cn2c(NN=Cc3ccc(F)cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 254627428 KMKADGPCUJBBJD-KRWDZBQOSA-N 496.499 1.467 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(F)(F)F)cc2)c(=O)n1C[C@H]1CCCO1 520869588 MNNZFODVOOGTLC-QGZVFWFLSA-N 493.507 1.835 30 10 JDEE CCc1cccc(OC[C@H](O)Cn2c(NN=Cc3ccc(O)cc3)nc3c2c(O)nc(=O)n3C)c1 606629897 IFBGXYYHJGOEAW-GOSISDBHSA-N 478.509 1.990 30 10 JDEE CN1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2I)CC1 725441818 BLAGSVKQGUJKRG-UHFFFAOYSA-N 492.188 1.527 30 10 JDEE C#CCN(C(=O)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1)[C@@H]1CCS(=O)(=O)C1 729332489 OWUVHTXSOWLZBW-LJQANCHMSA-N 478.617 1.758 30 10 JDEE CC[C@@H](C#N)Oc1cc(CNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)ccc1OC 1136766192 GXUYMEWWLZXZHR-FPOVZHCZSA-N 458.559 1.706 30 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HCMTZYWNENVWFF-OTWHNJEPSA-N 475.594 1.800 30 10 JDEE CCc1nnc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)s1 1292784499 DRTBMVVBMTYZFG-CYBMUJFWSA-N 460.589 1.859 30 10 JDEE CN(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)c1c(F)cccc1F 1298018931 AGFVNZUXOXFHSF-MAUKXSAKSA-N 459.501 1.824 30 10 JDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccnc(-n2cccn2)c1 1299225832 FCPLTZYNTVONQN-UHFFFAOYSA-N 471.525 1.930 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1300307382 FRSCEYOJUHCAEU-YESZJQIVSA-N 484.623 1.324 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1300408602 BBUKLBAXGNFFRX-OAQYLSRUSA-N 490.674 1.412 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCN1CCCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1300480139 YDXCDIVMUSZISJ-UXHICEINSA-N 476.647 1.405 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCn1c(O)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 1300498840 NLLXSANBWQNZEW-KRWDZBQOSA-N 456.572 1.859 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCCC2)nc1 1300578538 LURIBSHYLXDMCB-OAQYLSRUSA-N 497.625 1.117 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(c2ccccc2F)C1 1300671136 CLAVLSQEZBQJHN-RBUKOAKNSA-N 475.590 1.932 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N1CCCC1 1300671700 MQGLVRQBDQSSLT-RBUKOAKNSA-N 461.588 1.696 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2(S(C)(=O)=O)CCCC2)CC1 1300732216 ZHORODGZNPZKBS-UHFFFAOYSA-N 451.593 1.138 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1300788698 JGUUBKDYRDZLDD-DHIUTWEWSA-N 473.599 1.812 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1300895074 LYBAXXTWTFDLNE-XHDCSNGUSA-N 478.590 1.660 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NCC)CC1 1301150784 ADRBIMGPIWPMBV-QGZVFWFLSA-N 452.625 1.041 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1301507061 VJGRWSDVYAKGIH-UHFFFAOYSA-N 456.554 1.760 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C2CCOCC2)CC1 1301508393 JOCNYZLDOOHUNA-UHFFFAOYSA-N 468.602 1.675 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(F)cc(F)c2C1 1301586937 VYCONFWSVBGWCZ-QGZVFWFLSA-N 451.499 1.671 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1301594540 GNUJCEGMSROWBU-MRXNPFEDSA-N 494.643 1.476 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(O)CCS(=O)(=O)CC1 1301967376 CGSBMFKWLZEHHS-MAUKXSAKSA-N 461.544 1.326 30 10 JDEE COCc1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)cs1 1315868105 BRDJXUBFXVEQFM-UHFFFAOYSA-N 473.584 1.550 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1cc(Br)cn1 1358872479 VHKXZQWLNNWQMK-STQMWFEESA-N 458.386 1.396 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 1358904653 JBCTYYWAAJXBLU-KRWDZBQOSA-N 456.576 1.285 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1358964334 XLYAYCUCBMEPSB-PMACEKPBSA-N 463.604 1.057 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCOC[C@H]1OC 1358968636 TVCPUQDFCMKLMA-AZUAARDMSA-N 455.946 1.986 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(CC)noc1C 1359113928 TZEONSIXQPTWOL-GOSISDBHSA-N 452.581 1.921 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1359188758 UQLZGONFDUGFKO-MSOLQXFVSA-N 485.676 1.787 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1359265323 CXJIETNMUVVHGB-XUVXKRRUSA-N 491.662 1.093 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359329607 OLWOJQLNULYRFA-UHFFFAOYSA-N 453.590 1.064 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@@H](CC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359335778 UUAMAEGLTKACDS-BBTUJRGHSA-N 456.609 1.923 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1359343735 ZNVOSRRBDJDTSE-WBVHZDCISA-N 499.684 1.944 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OC)c2ccc(OC)c(Cl)c2)c1 1447903771 KUGDNVYHACVMMK-GOSISDBHSA-N 450.900 1.904 30 10 JDEE C=CCn1cc(CNC(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCOCC3)c2)nn1 1464971677 MYGOZZYHFDXFGP-UHFFFAOYSA-N 450.521 1.205 30 10 JDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1501194297 HSCFVLCMQYSISJ-MRXNPFEDSA-N 463.546 1.918 30 10 JDEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CC2CCS(=O)(=O)CC2)CCOC1 1502676212 GAENJCZNFGVEHR-NRFANRHFSA-N 451.593 1.885 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2COCCO2)c1 1507548832 DBKIZBPQMKQAAU-SQJMNOBHSA-N 483.569 1.790 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1507633591 FFRLJLPXIXLSTQ-IEBWSBKVSA-N 456.572 1.426 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(C)CN(C)C1=O 1507657630 URWRTJQZRKHWMD-SANMLTNESA-N 459.598 1.194 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1 1507672200 VQYKENDNVSDMJY-XUVXKRRUSA-N 473.574 1.589 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC(=O)N(C)C)CC1 1507735450 WWPDZDIWJOCSNR-UHFFFAOYSA-N 482.585 1.797 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CC1)COC(=O)N2 1507933712 AODPXQPBHMAFGK-MRXNPFEDSA-N 468.580 1.046 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCC[C@@H]1NC(=O)NC1=O 1508001018 IVMWICBFUIZBIB-SFHVURJKSA-N 451.531 1.695 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1508089384 JPOLLWHLZYIMSE-HXUWFJFHSA-N 482.585 1.722 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1508139436 GQBYHJFXDOAYRJ-QGZVFWFLSA-N 469.571 1.399 30 10 JDEE CC(C)(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1508688855 HZNMBLQKDFAWSE-FQEVSTJZSA-N 499.641 1.636 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2([S@@](C)=O)CCC2)c1 1517020548 FHRJPOHICZKTDU-HYJWCJBQSA-N 492.627 1.225 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCNC(=O)C(C)C)c1 1539040574 XQUVDFZWWOGDMX-UHFFFAOYSA-N 462.558 1.897 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539200321 GWASHJWGMOARQX-DLBZAZTESA-N 496.634 1.298 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1539221160 YQILUOWCLQTWSE-LJQANCHMSA-N 457.600 1.901 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCN(CC)C2CC2)CC1 1539434607 PQDTWMBTQLRFBI-UHFFFAOYSA-N 485.658 1.435 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC(=O)N2CCOCC2)CC1 1539438366 WBAYAABRYYYYJB-UHFFFAOYSA-N 487.402 1.630 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCN(CCC)C2)CC1 1539459636 MJSCWISRXKXDPK-LJQANCHMSA-N 455.632 1.757 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCC(=O)NC(C)(C)C)CC1 1539461712 JAXZVUIVZLFTFI-UHFFFAOYSA-N 454.575 1.926 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCNC(=O)OC(C)(C)C)CC1 1539462107 BQKWRYAFORGVCN-OALUTQOASA-N 462.595 1.672 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1539482907 YEFOWXBJTNBCTF-FGZHOGPDSA-N 472.634 1.842 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCNC(=O)C(C)C)CC1 1539483372 YLBWTAHEKUBLJY-UHFFFAOYSA-N 454.550 1.746 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(=O)N(C)C)CC1 1539490191 SHVJXJCBISSJRR-HDICACEKSA-N 487.605 1.103 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1539751671 RTZDCUCRZAVCAK-DLBZAZTESA-N 469.608 1.876 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC12CCOCC2 1540171205 WSOFFAAAFIMDAL-ZWKOTPCHSA-N 451.593 1.606 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1540865958 XQIVWNNCXPBBKI-UHFFFAOYSA-N 473.541 1.634 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540866093 CDMZVECWTYWUGX-ZDUSSCGKSA-N 470.958 1.510 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@](C)(OC)CC1 1540869577 QJWXYFXHLDMDTC-DEOSSOPVSA-N 465.558 1.890 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1540874052 UEONHEBSDAHPJQ-IBGZPJMESA-N 450.547 1.807 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCS(C)(=O)=O)C1 1540889629 QKEWOJSBOXANAP-MRXNPFEDSA-N 472.571 1.501 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1540900776 HPGLWGICWPYVKU-UHFFFAOYSA-N 482.632 1.191 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCC1 1554165082 HYDVNQRTHQOILO-SFHVURJKSA-N 460.560 1.034 30 10 JDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1554489243 HZEDQWRINDXFCY-IBGZPJMESA-N 475.557 1.760 30 10 JDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1555524528 FYJQDMHCVCGGJF-HXUWFJFHSA-N 451.575 1.890 30 10 JDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN[C@@H](CC(N)=O)C1CCOCC1)CCCC2 1559736937 DZRVSPSJCXMPTG-XLIONFOSSA-N 457.575 1.616 30 10 JDEE C#CCNC(=O)CN1CCN(C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)CC1 1559864402 FEQMGJRJUGXJTC-HSZRJFAPSA-N 454.596 1.382 30 10 JDEE CCN(C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1)S(C)(=O)=O 1565690440 GJEUUWCWMKDERK-HNNXBMFYSA-N 452.964 1.837 30 10 JDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1587812824 CXKHKJSMXAYSKN-UHFFFAOYSA-N 479.632 1.042 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1588065118 UVGWUTKXRJRBGA-QFIPXVFZSA-N 478.578 1.897 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCn1ccnc1C 1588214029 FUXMORSFTFTKCE-UHFFFAOYSA-N 450.572 1.906 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(=O)NCCC)CC1 1588763372 WQZLKVWHSSBTOR-UHFFFAOYSA-N 458.588 1.020 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1588800195 ANNSSEJIYNTCLR-UHFFFAOYSA-N 450.568 1.710 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)[C@H](C)CC 1589216720 VYQSXYNOAWPRLP-LVCYWYKZSA-N 452.625 1.333 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1589571078 XSHLGEKWHKETML-WEYGHZABSA-N 471.558 1.798 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1589579065 JGUVJADELQJJRO-BURNTYAHSA-N 497.662 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COC(=O)CCOc1ccc(S(=O)(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 1662734419 DAHWUVYEQVRGPR-FQEVSTJZSA-N 457.508 1.974 30 10 JDEE CCOC(=O)C1([S@](C)=O)CCN(C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)CC1 1670762610 HRMSANLIYYDWSA-ONSXPEOJSA-N 455.558 1.680 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1689966562 VNNQPEFMHNFXFU-IBGZPJMESA-N 489.602 1.259 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1689983978 IRLUVQRDLRSLGF-HXUWFJFHSA-N 455.584 1.660 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1OC 1690046377 BLWWPCTUOBTALW-HXUWFJFHSA-N 492.001 1.784 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCNS(=O)(=O)c2ccccc2)CC1 1690124592 ORKFOJFVLMEFEP-FQEVSTJZSA-N 458.588 1.253 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)CC1 1690140453 ZGKALXGKVBMQGB-UHFFFAOYSA-N 483.598 1.110 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCCS(C)(=O)=O)CC1 1690148339 CZKUUMLQSLMBPY-UHFFFAOYSA-N 473.599 1.278 30 10 JDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](C)(C(=O)NC)C1 1690172799 OUOZYUZPDMXELV-QHCPKHFHSA-N 468.631 1.781 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1690274902 IYZKFQUSRYVOAO-QGZVFWFLSA-N 478.594 1.885 30 10 JDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1690292805 UJCVUTGCKSANNA-IAGOWNOFSA-N 476.578 1.727 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](CNC(C)=O)C1 1690726515 CIWYYDPWEDYKGS-LJQANCHMSA-N 485.614 1.470 30 10 JDEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)n(C)n1 1693404456 AGYBQEFTZIRPCK-KRWDZBQOSA-N 484.586 1.289 30 10 JDEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(CCOC)c2)CC1 1695961899 ABKDDPDLIKZDOI-UHFFFAOYSA-N 464.530 1.986 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 1705565045 RWZCVDVLBVENPX-SFHVURJKSA-N 467.551 1.790 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](SC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705567536 YNNCPUGEUDUXIU-HRCADAONSA-N 453.634 1.634 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(N(C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705567737 YUAXDWOGYFHGPU-MOPGFXCFSA-N 465.620 1.257 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccc(-n2ccnc2)c(F)c1)[C@H]1CCS(=O)(=O)C1 1705568248 JRRFADUSMPZYOH-SFHVURJKSA-N 472.546 1.814 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](COC)OC 1705620214 OGDPJMFCRBQWAV-IEBWSBKVSA-N 450.536 1.621 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCOC2CCOCC2)CC1 1705642364 QVRNIYABFVTJMA-UHFFFAOYSA-N 472.615 1.611 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@H](COC)OC)CC1 1705649970 IUGHNMQFAVATLE-HXUWFJFHSA-N 465.558 1.144 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccco1 1705662281 VENVBQSQLOMEAM-RDJZCZTQSA-N 453.590 1.768 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1705877680 MLCLMGNLQVTDDL-HYFFOGBASA-N 481.619 1.777 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705898463 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453.609 1.671 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760525836 UAJPBKIVMUEYLV-UHFFFAOYSA-N 466.571 1.053 30 10 JDEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1760561811 MYTHLFLALDZRDG-MRXNPFEDSA-N 453.576 1.897 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1 1760618878 JALUIGVOMXLYFZ-LSJZCYCUSA-N 497.531 1.580 30 10 JDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1761246156 CKIOUIWFLHEUMP-HXUWFJFHSA-N 465.558 1.559 30 10 JDEE Cn1cc(-c2nnc(N3CCN(c4ccc(C#N)cc4F)CC3)n2CCCS(C)(=O)=O)cn1 1767460148 BEVAVOPNQPIHBR-UHFFFAOYSA-N 472.550 1.451 30 10 JDEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1768439577 FSSFMUXSEPSIIT-UHFFFAOYSA-N 491.556 1.184 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCN(C(C)=O)CC1 1772567114 JJBQVXJRVUHZJZ-IBGZPJMESA-N 489.621 1.753 30 10 JDEE C=CCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870397880 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C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705567944 DGBBUHRYHASXSH-QZTJIDSGSA-N 490.655 1.392 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705570143 NEMJMGOJKFEUER-RTWAWAEBSA-N 458.632 1.867 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(=O)NCC(F)F)CC1 1705645617 YPHZJEMHDWUMDH-OAHLLOKOSA-N 492.502 1.904 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705667927 ZKBMRRKDTGXKDS-KGVIQGDOSA-N 462.620 1.613 30 10 JDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705684871 GAAUTFMAQMZBNO-AWEZNQCLSA-N 468.381 1.648 30 10 JDEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@@]1(O)CCS(=O)(=O)C1 1705882803 LEWOHZMYSTUHSK-IBGZPJMESA-N 485.404 1.896 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1705893645 CZSKSSUWCPSTJQ-UHFFFAOYSA-N 454.579 1.546 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1705898888 BEAUCMICCMHFDE-MRXNPFEDSA-N 461.448 1.624 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS[C@H](C)[C@@H]1C 1705900572 INMFVYFERIQLRW-LSDHHAIUSA-N 453.572 1.824 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1705902334 CEJDBLWQGAWOPV-NRFANRHFSA-N 466.586 1.756 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1705905394 UCIRPWSVMOSILP-UHFFFAOYSA-N 495.609 1.467 30 10 JDEE CO[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1712100156 CNHGDXHRQJKNNA-UYAOXDASSA-N 454.531 1.482 30 10 JDEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)C1 1712274657 DWURMCUZGXQULI-KRWDZBQOSA-N 450.503 1.355 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Cl)c(OCC)c(OC)c1 1722350466 ASLCKFIYAMGHAX-GOSISDBHSA-N 498.005 1.789 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722358782 LKHXRRKERUOUKM-NRFANRHFSA-N 484.626 1.667 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1722364445 ZWISXSLYAQYTSJ-MRXNPFEDSA-N 454.499 1.862 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1722372570 ZFVXNTFIQHZTDB-GOSISDBHSA-N 462.597 1.309 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCCCO2)CC1 1722436790 FVDLTPJTAFKYER-UXHICEINSA-N 474.606 1.911 30 10 JDEE C=CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722606175 GQTGAUBRHQBUAP-LJQANCHMSA-N 452.559 1.977 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCN(C)C2=O)CC1 1722630138 WFGCQBRNFGDRNT-KRWDZBQOSA-N 451.593 1.222 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC1COC(C)(C)OC1 1722702503 OVEPSFGRGZSQLP-UHFFFAOYSA-N 462.576 1.407 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)C3CCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722704708 WYLNMVICQCDENO-VWLOTQADSA-N 488.633 1.850 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1722727359 KZHJLQSLPIURRQ-IBGZPJMESA-N 497.625 1.926 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C(N)=O)CC1 1722728738 ATSYSFKZMZOPMT-UHFFFAOYSA-N 451.980 1.825 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H]1CCOC[C@H]1C 1723951394 BUQLVESPTPZPCA-HBFSDRIKSA-N 487.630 1.759 30 10 JDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(OC)C2CC2)CC1 1730420398 GKHGQLWJURZBHW-DEOSSOPVSA-N 468.558 1.839 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCS(=O)(=O)C(C)(C)C 1740540748 YNMNAVMERWXTBN-MRXNPFEDSA-N 481.644 1.867 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCS(=O)(=O)C1 1740563340 SNIIJZHPTKYDGD-TWMKSMIVSA-N 451.593 1.941 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1740621361 WCQRJKGGJSKDKR-NVXWUHKLSA-N 479.006 1.925 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1740625465 NXTIVKHIRVZPIM-DENIHFKCSA-N 481.018 1.937 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740626845 CVDRSUTUDURXIO-QGZVFWFLSA-N 491.589 1.785 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1740628556 YRYSWHCKTOAJHF-OKYOBFRVSA-N 468.645 1.633 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1740640689 UBIGWENSFBRRJK-QHAWAJNXSA-N 476.647 1.052 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cnccc2OC)CC1 1740697879 OIZUTUALNAHZDD-UHFFFAOYSA-N 466.567 1.556 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OCC=C)cc2)CC1 1740706269 RFOHYWMMMWJVBC-OAQYLSRUSA-N 462.554 1.808 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(N)=O)CC1 1740717552 VQDDFLHNBSULOX-KRWDZBQOSA-N 478.619 1.655 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C(C)C)N1CCOCC1 1740774484 TWQBERVFXAAQSX-WOJBJXKFSA-N 484.667 1.370 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1740825022 HTYZZEKXGFVGMX-QRVBRYPASA-N 453.609 1.973 30 10 JDEE C=CCCCn1c(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740881489 ISCFAEAYGXTWGT-HTAPYJJXSA-N 458.567 1.817 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1740959226 OCGXIIQHCUPTPU-XJKSGUPXSA-N 491.474 1.650 30 10 JDEE CC(C)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1)N1CCOCC1 1741247398 BJPSPHDAFPYZOO-UHFFFAOYSA-N 487.630 1.446 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCCn1ccnn1 1741916988 ADCGNAIVNISDFF-KRWDZBQOSA-N 481.586 1.735 30 10 JDEE Cc1nccn1-c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)cn1 1742626211 ADTIZRHJKVIWBG-ZHRRBRCNSA-N 483.602 1.956 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1748291772 ALIODXJFXKMFHI-IBGZPJMESA-N 454.560 1.712 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(O)CCCC2)c1 1748692539 ZRHKTJDMVGMBDK-INIZCTEOSA-N 474.587 1.250 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748808537 KTWJVQFAUFDPOP-GOSISDBHSA-N 464.975 1.767 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1748820085 YSGGJRNNSNNZLN-WOJBJXKFSA-N 494.614 1.602 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(C)ccc2OC(F)F)CC1 1748972450 JYIKWOPJTQNQMW-INIZCTEOSA-N 482.557 1.602 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(CC)C(=O)C1 1749119522 SZOULJTVAUKTLG-YLJYHZDGSA-N 453.547 1.965 30 10 JDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1749251621 HKNDSGTUQWRBPT-CYBMUJFWSA-N 456.931 1.633 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCCOC2)C1 1749403049 VNCPYMMDKQJESS-WIYYLYMNSA-N 453.609 1.974 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1749531461 LCKVNHKZVIHICS-UHFFFAOYSA-N 481.582 1.683 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749653165 XELAZHZMTTWYFK-WBVHZDCISA-N 460.510 1.201 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1749671608 FXKMWBATIRVRQR-GHTZIAJQSA-N 456.566 1.857 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(CN2CCOCC2)CC1 1749729118 BJNUNRFNAREMHR-UHFFFAOYSA-N 462.620 1.433 30 10 JDEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1749752230 MDMVFIINDXTPRL-UHFFFAOYSA-N 485.614 1.075 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(ccnc2N(C)C)C1 1760154585 GQGJXZRTNMUNIC-IBGZPJMESA-N 473.603 1.048 30 10 JDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(S(C)(=O)=O)cc1 1760170698 NDDSUOHEWOBNLB-UHFFFAOYSA-N 472.596 1.759 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1CC(=O)NCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1760184119 VMKJUJKWJHVUNR-QUCCMNQESA-N 457.600 1.777 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(F)ccc2OC)CC1 1760265654 GOXONVXYYJAKBZ-HNNXBMFYSA-N 492.577 1.050 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C(N)=O)C1 1760351363 DVENZIYHLMRSLG-KRWDZBQOSA-N 462.576 1.100 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(cccc2OC)C1 1760373867 DGOJHUOWJDZQDY-GOSISDBHSA-N 467.979 1.935 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN(C)C(=O)C1 1760519151 UGPAEUVEOXCPLW-UHFFFAOYSA-N 467.755 1.942 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2)C1 1760554369 BCSNTNLWFBMYPZ-RBUKOAKNSA-N 480.612 1.359 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H](C2CCC2)C1 1760566439 UCKBJXJNCHDAGJ-OALUTQOASA-N 485.676 1.783 30 10 JDEE CCc1nc(C)c(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)o1 1762735928 GENYGPFQYFTBHQ-GOSISDBHSA-N 477.591 1.648 30 10 JDEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C(=O)NC)CC1 1764983391 AZDGTAHULPVOLT-UHFFFAOYSA-N 480.617 1.579 30 10 JDEE CCOC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1768011002 AHDRTHKCUCENRX-HXUWFJFHSA-N 468.558 1.840 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C1OCCO1 1772564726 XNFLBMICDXVHAO-SFHVURJKSA-N 463.560 1.327 30 10 JDEE [N-]=[N+]=Nc1ccc(CCC(=O)c2c(O)cc(O)cc2O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1 1848432765 AXCDEMZKQHNYNE-RSRIQPTJSA-N 461.427 1.034 30 10 JDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1OCCC 1865730178 XTJMWKLRJFLNON-GOSISDBHSA-N 466.538 1.768 30 10 JDEE C=CCN(CC=C)c1nc(=NCCN2C(=O)CSC2=O)[nH]c(=Nc2cccc(NC(C)=O)c2)[nH]1 1871532145 IVRCGKWXJAIMBG-UHFFFAOYSA-N 482.570 1.703 30 10 JDEE COc1cc(/C=N/n2c(SCC(N)=O)nnc2C2CCC2)ccc1OCCN1CCOCC1 1874493109 WHXVOBLAUUGJPN-ZVHZXABRSA-N 474.587 1.725 30 10 JDEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(NCc3ccc(S(N)(=O)=O)cc3)ncnc21 1875230445 ZWLMOYVXJTWZAD-UHFFFAOYSA-N 497.581 1.214 30 10 JDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@H]3CCC(=O)N3c3ccccn3)CC2)CC1 1889403924 LQOKBFFTCBTWGI-HSZRJFAPSA-N 467.614 1.614 30 10 JDEE CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2267165971 LWDMPJCVTDIMFF-UHFFFAOYSA-N 466.413 1.725 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F 2267263829 KSDWAEWCPZJDHM-STQMWFEESA-N 453.324 1.192 30 10 JDEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2267464500 IJUZRWBHDVKXRI-CQSZACIVSA-N 470.401 1.349 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@@H]21 2267541175 ZZBFPLITZDOWAA-CABCVRRESA-N 465.381 1.903 30 10 JDEE C[C@@H](CCNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2267704246 KOWFSLODDYFORT-AWEZNQCLSA-N 472.417 1.643 30 10 JDEE CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268718257 QABOJMHDIDCGCB-KIFPSNHUSA-N 467.397 1.724 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)[C@@H](C(=O)O)C1 2281804211 IQJFDMZZCMRVEB-MRXNPFEDSA-N 461.324 1.527 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)n1 2281955581 MXGMDKRYAAIBEL-RBSFLKMASA-N 461.372 1.490 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](OCCNC(=O)OC(C)(C)C)C1 2282537632 UCJASKKEVQMQCM-OAHLLOKOSA-N 464.372 1.475 30 10 JDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282680243 LPEFBERIIYHKMP-CQSZACIVSA-N 463.388 1.974 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2282684353 PNTXEAMTMBPTDZ-RRFJBIMHSA-N 461.372 1.490 30 10 JDEE CCN(C(=O)OC(C)(C)C)[C@@H](C)CNS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282842401 XTXADZTXAZGTTE-AWEZNQCLSA-N 486.444 1.952 30 10 JDEE C[C@H]1C[C@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1C(=O)OC(C)(C)C 2282849641 FBDNAQRFJDNZGB-LSDHHAIUSA-N 484.428 1.786 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@@](CO)(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283064433 VTLTVYVMKORKAM-JOCHJYFZSA-N 462.356 1.268 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1 2359271535 OQAOEWVLGMZCLD-QGPMSJSTSA-N 463.384 1.718 30 10 JDEE COC(=O)c1ccc2c(=O)n(CCc3ccc(S(N)(=O)=O)cc3)c(SCC#N)nc2c1 2970482 HFVIVNKVUKFLON-UHFFFAOYSA-N 458.521 1.689 30 10 JDEE CCn1cc(-n2c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc3ccccc3)c2=O)cn1 523857150 FZNOSRUAXUHNTG-UHFFFAOYSA-N 465.579 1.550 30 10 JDEE C=CCOC[C@@H](O)Cn1c(N/N=C/c2cc(Br)ccc2O)nc2c1c(O)nc(=O)n2C 606630598 XSNHQRSHQJAREP-OOMAIKSQSA-N 493.318 1.313 30 10 JDEE C=CCn1c(=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)sc(=Cc2cnn3ccccc23)c1=O 729670870 ODGHFKUSOIJVRB-UHFFFAOYSA-N 496.596 1.595 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCOc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 1286381366 MFOHHJAADIQKAV-LJQANCHMSA-N 473.599 1.739 30 10 JDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1286385613 OIZVGTCEBPCYPL-MSOLQXFVSA-N 464.592 1.027 30 10 JDEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1C[C@H]1CCCN1S(C)(=O)=O 1286432707 URXZDTZAWARLQJ-HXUWFJFHSA-N 455.584 1.787 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(F)(F)C2(OC)CCOCC2)CC1 1286485422 KWHTZSHRPRDCEY-OALUTQOASA-N 483.560 1.588 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(O)CCC2)CC1 1286487357 NKQDZWCEGWIQNH-UHFFFAOYSA-N 471.583 1.229 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](CC(C)C)N(C)C)CC1 1286646849 WHVDNYXPQIIQBK-RBUKOAKNSA-N 454.641 1.744 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCSc1nccs1 1286726216 BXJWTYNLIOMSJG-AWEZNQCLSA-N 458.635 1.872 30 10 JDEE C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1286770426 FNCVCQJTNAWMBB-QGZVFWFLSA-N 488.976 1.765 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](COC)O[C@H](C)C1 1286787636 YAAIPFJVJSCRNJ-MSOLQXFVSA-N 495.584 1.607 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1286788691 CGDUIZBYPNWEOC-QGZVFWFLSA-N 480.573 1.754 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1286814029 ICJXJFXDCFSYML-HNNXBMFYSA-N 478.541 1.188 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cccc2OC)C1 1286817204 KQJFGOOHYNNHQG-HNNXBMFYSA-N 483.616 1.060 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC2(CCC2)C[C@@H]1CC 1286819940 ADKXHXUJUYXYDM-SJORKVTESA-N 456.634 1.940 30 10 JDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1286831098 TXKIYEQIHADESN-JKSUJKDBSA-N 456.638 1.256 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCC[C@@H](C)C1 1300307044 BHVSDWOSAJLSPC-CEXWTWQISA-N 466.652 1.579 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1300408966 DPQDFNBLOCYZGY-HXUWFJFHSA-N 494.568 1.629 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(OC)cc1F)[C@H]1CCS(=O)(=O)C1 1300485379 ZOPQMZJWHCFUCI-MBSDFSHPSA-N 492.573 1.753 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1300495089 CODKBPUJUPNPKW-MOPGFXCFSA-N 457.556 1.294 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1300496890 VVICUWZLFQJOFK-YADHBBJMSA-N 492.690 1.217 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CCN(C)C2)CC1 1300730628 DBYBUKNUTHOZBU-XMMPIXPASA-N 470.549 1.029 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1300761948 FFJIDRKNHKWOON-GJZGRUSLSA-N 465.567 1.619 30 10 JDEE C=C(C)COCCn1c(CC)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1300990232 IXMWTUONYMXWIT-ZACQAIPSSA-N 469.608 1.560 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCNC(=O)C2CC2)C1 1301557424 OXTGRPNPTHPVHM-MOPGFXCFSA-N 490.605 1.894 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1301575487 HGSPHACCBWKIAW-APWZRJJASA-N 491.570 1.498 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC2(CC1)CNC(=O)C2 1301577912 PVNGPTHZILSMQF-UHFFFAOYSA-N 459.572 1.661 30 10 JDEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1302504532 BSNXUHZUVBUHJH-IEBWSBKVSA-N 460.560 1.283 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CCCCN1CCCC)[C@@H]1CCS(=O)(=O)C1 1358966377 NORZPCMMJIDBJW-NHCUHLMSSA-N 490.674 1.682 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(F)(F)CC1 1358979462 NJEGSMNYVPLUNA-KRWDZBQOSA-N 455.531 1.509 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2nc[nH]n2)cc1 1358985354 WUIGXCJVZXMJFD-INIZCTEOSA-N 452.544 1.185 30 10 JDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC(=O)N2CCOCC2)CC1 1359036979 PLKNMFVCQVUOGV-UHFFFAOYSA-N 458.513 1.151 30 10 JDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1359120662 QOMCRXWXKJOIEM-HNNXBMFYSA-N 452.606 1.828 30 10 JDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359141657 OAFXZCMYROFHEM-OAHLLOKOSA-N 458.910 1.445 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1359203643 SJDMUSINANSMGW-IBGZPJMESA-N 495.650 1.305 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCn2cncn2)C1 1359312400 UOSLITKYURQPCM-GOSISDBHSA-N 456.938 1.935 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1359327379 ZKCVDUOAGTUOSA-IBGZPJMESA-N 475.619 1.770 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)CC1 1360298595 CEDLKLUOEJHPQI-HSZRJFAPSA-N 469.615 1.331 30 10 JDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 1444609653 AHFJAGKMRJVBJV-SJLPKXTDSA-N 456.524 1.021 30 10 JDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1 1447107665 VYZQNPKGQNIRJO-SFHVURJKSA-N 451.545 1.491 30 10 JDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1NC(=O)C[C@]12CCN(C(=O)OC(C)(C)C)C2 1469941530 PQOORYPYJDTIOX-QRQCRPRQSA-N 450.536 1.936 30 10 JDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCNC(=O)c1cccc(C)c1 1499140691 GRUQUIRYQOFULE-UHFFFAOYSA-N 461.574 1.819 30 10 JDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1504753466 FMTIGHQZTJFZCN-URXFXBBRSA-N 454.575 1.905 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cn(C2COC2)nn1 1507655235 CNDTYPNRNARIRN-IBGZPJMESA-N 466.546 1.634 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccn(C)n1 1507671635 NEFYOWPPDQTYFU-LJQANCHMSA-N 453.547 1.831 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCC[C@@H](C)C2)CC1 1507721553 VXVWLZHTPCOEPK-HXUWFJFHSA-N 470.643 1.836 30 10 JDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1507727842 TYSCZPUTWGSXAH-XMMPIXPASA-N 493.656 1.863 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1507771448 ADVGLJZHORNPGG-FUHIMQAGSA-N 489.564 1.826 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COC)C1 1507798578 OMFDCTZZOOZTHA-MANSERQUSA-N 469.608 1.065 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507836158 YTIKQAYZMHTLNS-UHFFFAOYSA-N 460.579 1.182 30 10 JDEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](S(C)(=O)=O)C1)c1ccccc1 1507924533 OVLAYIPYCZEUBP-BHIYHBOVSA-N 481.644 1.872 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1508058547 BZWLUIJYHDUPSA-HUUCEWRRSA-N 489.524 1.854 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1508093128 GUBYLRXUMPONIA-KRWDZBQOSA-N 456.547 1.999 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1508093307 UPYCCMHBKWWSAB-KRWDZBQOSA-N 471.631 1.882 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1508098751 RGJVOVTUQVNTNR-UZUQRXQVSA-N 478.594 1.678 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CCOC)CC1 1508141759 YPCPKGJSNACHRD-UHFFFAOYSA-N 458.588 1.796 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1508143512 HBWXBUKIQMVNNK-MRXNPFEDSA-N 472.537 1.938 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1508160729 IBRGGPFRRCLCHS-MJGOQNOKSA-N 495.675 1.333 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1 1508242371 NVZNAIDGKXAMJF-CQLPTELBSA-N 474.525 1.400 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1508416120 DOEMUILSCMYSOE-HOTGVXAUSA-N 469.571 1.755 30 10 JDEE CCN(CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1)S(C)(=O)=O 1515714696 COMIDGSDDCTUIO-GOSISDBHSA-N 459.576 1.409 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(N3CCOCC3)ccc2Br)C1=O 1525806521 ACGDQZZINFUDBJ-UHFFFAOYSA-N 451.277 1.201 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCCn2cc(CO)nn2)c1 1539040636 ZUPFPEYENQVNOB-UHFFFAOYSA-N 473.541 1.514 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1539178760 KEFAKFWGHMLDTB-IKGGRYGDSA-N 451.593 1.924 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCCN1CCCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539210690 FRQLRHMQNIPZDW-WOJBJXKFSA-N 472.615 1.468 30 10 JDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1539273392 QHNIRFDPWALFRP-SFTDATJTSA-N 463.565 1.559 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1539414542 WHXFXNLXIYMDAW-JENIJYKNSA-N 460.579 1.989 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCOCC)CC1 1539469507 BDHIXAPVCBGFGT-UHFFFAOYSA-N 473.599 1.741 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCCS(C)(=O)=O)CC1 1539476524 ZQTUTHREVDFRTO-UHFFFAOYSA-N 463.991 1.999 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2N(C)CCCC2(C)C)CC1 1539488069 GCIFJOTYGJDQCV-HXUWFJFHSA-N 469.634 1.487 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCC(=O)N2CCOCC2)CC1 1539489864 YMGAILKDAQZGRZ-UHFFFAOYSA-N 494.596 1.380 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC(C)C)CC1 1539614673 BDKIKZUXDVXECX-QRVBRYPASA-N 498.650 1.784 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)CC2)cc1 1540728292 BPOVRAXBHOIMMX-QFIPXVFZSA-N 454.552 1.292 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(=O)NCC(F)F)C1 1540889467 MRYZAWMTJTWUCK-ZDUSSCGKSA-N 459.457 1.757 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1540899998 IEYUGQQEMBFFGG-UHFFFAOYSA-N 453.590 1.018 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1540901065 RKLAIUYJJQJUPP-UHFFFAOYSA-N 458.523 1.197 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1540902010 XSYOZLDPABVRQN-GOSISDBHSA-N 489.646 1.754 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1540902204 CQBDLFMOYADDBK-MOPGFXCFSA-N 464.592 1.531 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](C(=O)OC)C1 1540904449 NIEWFOCHRXEKHE-QGZVFWFLSA-N 450.536 1.998 30 10 JDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1540908883 QEXJJOXEYFTCON-UHFFFAOYSA-N 454.984 1.790 30 10 JDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1587718939 QVCOUHGHZPWQSN-UHFFFAOYSA-N 465.601 1.234 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1587861618 OJAGJFYBEDAAFC-QZTJIDSGSA-N 496.634 1.375 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1588041646 YZZIDFHBPNKXOE-FQEVSTJZSA-N 474.631 1.501 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588050668 UJKRXJAGOKMJDM-UYAOXDASSA-N 459.620 1.427 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1588065408 YESZZXHMUGJYKI-GTJUCTONSA-N 490.651 1.610 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccc(C)cc1 1588140368 VZRZFZVXYGOOBV-TZIWHRDSSA-N 455.584 1.796 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCC(O)CC1 1588214382 RNSBOJRICFQQNF-UHFFFAOYSA-N 483.642 1.548 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@]1(N2CCOCC2)CCSC1 1588241369 NJUIZJJBHQVIGN-XMMPIXPASA-N 450.612 1.935 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2C[C@@]2(C)COCCO2)n1 1588723394 MLUWJXRHDDYDQF-DEOSSOPVSA-N 465.558 1.937 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNS(C)(=O)=O 1589215562 BEGBZPKOLXPMOH-HTAPYJJXSA-N 496.634 1.518 30 10 JDEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1593758126 VJSSUFJSQOCJHU-UHFFFAOYSA-N 480.613 1.927 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccc(F)cc1 1594962609 MRRHBLLBRKHMBH-ROUUACIJSA-N 453.540 1.760 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1595594287 MUFAVEUUFWTLCT-HNNXBMFYSA-N 458.544 1.522 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(NC(=O)COC)CC1 1595602294 IZVWHWXXYKYFOT-YLJYHZDGSA-N 462.595 1.230 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(F)cc2)CC1 1595758694 BVLRWAYMKAHQCF-UHFFFAOYSA-N 499.572 1.992 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC(C)(C)C)CC1 1595798660 RYMFNLOAIOJGBV-INIZCTEOSA-N 474.649 1.565 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](C(F)(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595831830 XIOUNFRCWVWMST-CRAIPNDOSA-N 482.525 1.687 30 10 JDEE CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1617324835 AWYCKYDYTFJVPS-MRXNPFEDSA-N 460.608 1.678 30 10 JDEE N#CCC1(O)CN(C(=O)c2cccc(NC(=O)C[C@H]3SC(N4CCCCC4)=NC3=O)c2)C1 1625477201 CEBWPBHGVCNRRQ-QGZVFWFLSA-N 455.540 1.600 30 10 JDEE C#CC[C@@H]1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Br)C1 1642246017 VQSRULHJTIIAMP-PBHICJAKSA-N 455.374 1.854 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1649544133 VOCCMJYQNJDJQZ-HNNXBMFYSA-N 450.565 1.690 30 10 JDEE C=C(C)CNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(CC)CC1 1667025476 WTSAKEDLJUFIHC-UHFFFAOYSA-N 451.593 1.547 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@](C)(O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1689987655 ACSVXQWOJIOADL-SIKLNZKXSA-N 489.001 1.866 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1690113800 VHSZKOXGAMBGQU-RXVVDRJESA-N 470.540 1.570 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2csc([C@H](C)OC)n2)CC1 1690123992 BYRXKQBBVQCKHE-HOTGVXAUSA-N 464.617 1.148 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1690124494 MFRJVEWGJMJWMQ-FHAGJXEFSA-N 488.633 1.688 30 10 JDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1690640930 UMOZKKHTBXFOBR-UHFFFAOYSA-N 471.587 1.628 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 1690685261 ZACQOMNICUUXFE-SJORKVTESA-N 474.528 1.851 30 10 JDEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1693854154 CPFWFAUAZLJXPJ-SJLPKXTDSA-N 460.560 1.378 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCC[C@H]1CO 1705474810 FSNSUYJFMXUNOS-KNQAVFIVSA-N 450.587 1.977 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2cccs2)c1 1705505054 HXTFEPPKPGVHBR-GOSISDBHSA-N 491.577 1.777 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1705566217 ZWMPBTRGROSVGG-MOPGFXCFSA-N 474.583 1.776 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1CC1(S(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1705569099 ZHZMLKHNVZQPNI-GOSISDBHSA-N 492.623 1.104 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(CS(C)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 1705570011 JKGDPMRRBUTUPR-HXUWFJFHSA-N 478.640 1.696 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1705571164 XJPRSNFXVBCRIM-AEFFLSMTSA-N 460.535 1.128 30 10 JDEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1705571614 CVEGGZVRQUFKMR-YRXWBPOGSA-N 495.646 1.958 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1NC(=O)CC1(C)C 1705623185 IZRBCINRDGXDRT-SFHVURJKSA-N 459.572 1.349 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCSC1 1705623387 QCSLZOHWGKRUFP-NRFANRHFSA-N 479.628 1.149 30 10 JDEE C#CCN(CCOC)c1nnc(COc2ccc(Br)cc2)n1CC(=O)N(C)C 1705630431 SQOVFMVIRGOSOU-UHFFFAOYSA-N 450.337 1.794 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1705638925 BISXBJJGCDNAEF-KRWDZBQOSA-N 498.531 1.320 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1705661587 FYFWOKPOESLFOQ-FQEVSTJZSA-N 487.651 1.817 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705902064 FJLOLTSMAHKZBQ-HXUWFJFHSA-N 480.525 1.371 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1705932073 KEGSQJAONMPULG-UHFFFAOYSA-N 477.541 1.884 30 10 JDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1ccn(C)n1 1706085870 DZBGVQQSCMZADX-IRXDYDNUSA-N 471.587 1.963 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(N2CCOC2=O)cc1 1706848427 FAZDTBWQGMFFNC-HUUCEWRRSA-N 461.548 1.632 30 10 JDEE COc1cccc(C(=O)NCCn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)c1 1711893533 DOUDGJMVWFYADA-SFHVURJKSA-N 495.565 1.437 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc([C@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1722369861 IAYMCJGOWQSVFG-MQGJPIDWSA-N 488.610 1.730 30 10 JDEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1722428474 ZYVZCJHVQMARIR-FQEVSTJZSA-N 457.556 1.782 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1722433111 LPONGPVXWXCFPS-QAPCUYQASA-N 463.380 1.842 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1722436754 DXEJTTMFGNUZPZ-SFHVURJKSA-N 459.572 1.020 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(Br)n2)CC1 1722440339 DBBUNBFQZFYRBP-UHFFFAOYSA-N 488.390 1.588 30 10 JDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1722456230 VHVWMWDJBQJGAQ-OAQYLSRUSA-N 463.611 1.999 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1722691964 CSDSXNAINORCLU-QFIPXVFZSA-N 460.966 1.556 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1740626353 WWKPZJXWAGAXEF-QUCCMNQESA-N 476.672 1.992 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)CC1 1740703881 GNNUAWRANUKKMQ-UHFFFAOYSA-N 480.594 1.607 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1740711339 LQGDHNQMKFJTEM-LJQANCHMSA-N 489.667 1.874 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1740876293 QFFBWBJTSWNEMG-GOSISDBHSA-N 475.619 1.526 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1740956175 LWSICGPNSWFTPH-UHFFFAOYSA-N 475.557 1.496 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](COC)C1 1740956240 NBBUZMZHTAEKNY-AWEZNQCLSA-N 450.337 1.861 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCOCC2)C1 1740982967 ZBSLGWFBIUVXJW-RTBURBONSA-N 453.609 1.074 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1741123962 CNVDJNRRTVHUOR-MAUKXSAKSA-N 494.021 1.881 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(-c2ccccc2)no1 1741131496 GEYZOHXODUHXCJ-OXJNMPFZSA-N 485.570 1.910 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc3ccccc3o2)CC1 1748731721 KCUOUSHHPPOZBJ-MRXNPFEDSA-N 457.560 1.770 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1748805033 NALYUDFDQUYCBE-HBFSDRIKSA-N 493.655 1.627 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(COC)cc1)[C@H]1CCS(=O)(=O)C1 1748817591 MXMSPZNKJWRVTR-UXHICEINSA-N 492.623 1.002 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2F)CC1 1749004012 CEVFKVKDZIYECL-INIZCTEOSA-N 476.578 1.350 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1749251622 HKNDSGTUQWRBPT-ZDUSSCGKSA-N 456.931 1.633 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CCOC)CCC2)CC1 1749303259 GSBBOYNMDGNXIU-SFHVURJKSA-N 453.609 1.974 30 10 JDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1749330739 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C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)NCC)CC1 1300888752 LWKMTSQJGUOGLG-XXBNENTESA-N 453.591 1.503 30 10 JDEE C=C(C)COCCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@@]1(OCC)CCOC1 1301002404 YZGYAEODSWDCBE-HYBUGGRVSA-N 476.622 1.266 30 10 JDEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)N1CCOCC1 1301416515 JCLIDPCWHSMPJR-UHFFFAOYSA-N 467.368 1.923 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(CCc2cccs2)CC1 1301506473 LWLRJIBTRIGZOL-UHFFFAOYSA-N 451.600 1.992 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(F)cc(F)c1 1301967368 CDZYZFIHNNSHMT-RDTXWAMCSA-N 468.530 1.728 30 10 JDEE C=CCC1(O)CN(C(=O)c2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc2Br)C1 1303535673 WURRVUXAKVQFIP-ZDUSSCGKSA-N 459.362 1.669 30 10 JDEE C=CCNC(=O)c1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1 1310171129 YYLJMSKXRHZCDD-MSOLQXFVSA-N 478.571 1.853 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1312354270 VMCHLHBTWURVLB-UHFFFAOYSA-N 456.011 1.408 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCN2CCCS2(=O)=O)c1 1358902212 HLYGWJUHXJZYIL-IBGZPJMESA-N 486.598 1.264 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358955248 IKQWIZNSGGFNII-WOJBJXKFSA-N 499.641 1.817 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358974157 STFMSZOGHLZFPH-SFHVURJKSA-N 471.583 1.707 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOc2ccc(F)c(Cl)c2)CC1 1359029793 HWTGZDIISPNVGQ-OAHLLOKOSA-N 484.985 1.515 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1359132592 AWTIOXBSERZMNL-IBGZPJMESA-N 491.589 1.874 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1359298080 MBYNWKSXLSLBND-UHFFFAOYSA-N 498.613 1.341 30 10 JDEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1 1359307533 NPQCBNNGPLTJJU-UHFFFAOYSA-N 490.568 1.521 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCOc2ccc(S(C)(=O)=O)cc2)C1 1359318837 NIFPLFQPDCZSGY-LJQANCHMSA-N 472.571 1.942 30 10 JDEE C#C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C)c1ccc(Br)cc1 1450279805 YPVIXWDSTCUYPD-LRDDRELGSA-N 453.362 1.957 30 10 JDEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 1470958927 WRLZMCXOHRJWQC-MRXNPFEDSA-N 458.378 1.893 30 10 JDEE COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1504892982 BYNZDSPQMRKLSY-LJQANCHMSA-N 460.560 1.094 30 10 JDEE C[C@@H]1CN(C2CCOCC2)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCS(C)(=O)=O 1505277409 BKUFFKYAVKUFFV-GOSISDBHSA-N 472.615 1.941 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccc(F)c1)N(C)C 1507538988 QFKHXVZKCKNCDU-DBVUQKKJSA-N 478.594 1.511 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1507623845 YCTHXJMROUOCLS-OAHLLOKOSA-N 471.568 1.365 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1507630545 BQDUVKDITCUWSX-SFHVURJKSA-N 482.566 1.705 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1507634573 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C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1508139474 AKCLCANOMSCLPJ-OAHLLOKOSA-N 467.617 1.991 30 10 JDEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 1515931094 FFORUUFGEXSIMI-DENIHFKCSA-N 464.618 1.792 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)N1CCSCC1 1517104790 AOMIRJHVTISDKC-GOSISDBHSA-N 489.627 1.116 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(N2CCOCC2)c1 1519162297 DAQMNAUYBMYBKH-FQEVSTJZSA-N 453.547 1.481 30 10 JDEE N#CC1CCN(c2nnc(-c3ccccc3F)n2CCNS(=O)(=O)Cc2ccon2)CC1 1521114545 GSGJFIIIHGYJIB-UHFFFAOYSA-N 459.507 1.932 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1539206068 MJYYFFIUCLDABW-MRXNPFEDSA-N 456.977 1.270 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1539206810 WDHSOLCBALPJGY-AUSIDOKSSA-N 480.631 1.906 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539219460 CPCPNOLBLGHOKA-KKLQWCBXSA-N 458.584 1.707 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCC(=O)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1539222872 XVBUTJQLPBUTFR-RTBURBONSA-N 465.620 1.795 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CCCCC1 1539369968 QQODPMBLDYYWFE-GHTZIAJQSA-N 453.609 1.402 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccs2)N(C)C)CC1 1539447915 YUHWZMJAKYJVPA-ZWKOTPCHSA-N 462.645 1.300 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC(=O)N(C)C[C@@H]1C 1540898461 KYUMWEJPVHINIG-INIZCTEOSA-N 469.571 1.603 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1540902446 JGZSNIHGUBAIOS-UTKZUKDTSA-N 463.535 1.067 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1Cc1ccccc1 1540905171 QUSUUSWUTCZMJA-PMACEKPBSA-N 478.640 1.993 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1540907445 XEHLSYLURPRGKX-JOCHJYFZSA-N 461.588 1.729 30 10 JDEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCOC2)CC1 1541007014 IKVQBTMSCQEKJY-FQEVSTJZSA-N 453.547 1.118 30 10 JDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1552408771 GPIISOLIQJYRQU-LJQANCHMSA-N 476.603 1.919 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@](O)(C3(C(=O)OC)CCC3)C2)ccc1F 1558577936 DTLLITXUKFVSGP-OAQYLSRUSA-N 454.520 1.600 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1587561329 CULUHPURCOQLPE-ZVDOUQERSA-N 474.631 1.728 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(NC(=O)OC(C)(C)C)COC1 1587620617 IEFLNDNPTZJUPJ-MRXNPFEDSA-N 493.568 1.944 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1587639440 LUWDEWIZCYNQIG-CKJXQJPGSA-N 489.598 1.449 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1588030083 PHZXFLRMTYEADI-AWEZNQCLSA-N 468.486 1.181 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](OCC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588055715 YMGWPCPXMOZWNM-GUDVDZBRSA-N 486.660 1.258 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCOCC1 1588560503 QZZPIBKXVWHURM-UHFFFAOYSA-N 466.586 1.481 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCO[C@H](C)C2)n1 1588723361 LROUYSNTCCWCHI-RTBURBONSA-N 452.563 1.976 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCN(C)C(C)C)CC1 1588930271 RJWPVJDKNWAMQT-UHFFFAOYSA-N 493.660 1.758 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1588968038 FVABWMIXOVDALF-JOCHJYFZSA-N 494.596 1.611 30 10 JDEE C=C(Br)Cn1c(N(C)CCS(C)(=O)=O)nnc1[C@]1(OC(C)C)CCOC1 1589460564 SVHOITOZVRYKRT-INIZCTEOSA-N 451.387 1.708 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1594237220 NYDKKHCNJQUVBB-HXUWFJFHSA-N 452.559 1.838 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccsc1 1595218374 IUCQOJNFSCNPEU-FXAWDEMLSA-N 467.617 1.759 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1595467022 PITFPOHSMKWDIK-UHFFFAOYSA-N 466.521 1.154 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccccc1OC)C1CC1 1595550964 KHLRUBRJCZWWIP-KRWDZBQOSA-N 459.572 1.660 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1595778437 ZPRHJBXKOQXJEP-FQEVSTJZSA-N 470.599 1.576 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1595805484 PNZSMABJJLUNIK-KURKYZTESA-N 499.634 1.394 30 10 JDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1617312400 COGWCGXABVSFBC-GOSISDBHSA-N 457.560 1.292 30 10 JDEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)CC1 1618678474 HERGKJDOHUGCRM-SFHVURJKSA-N 467.574 1.412 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)s1 1634101776 GHXXWKXVFWXEOI-HZPDHXFCSA-N 455.602 1.984 30 10 JDEE N#Cc1ccc(OC2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3F)CC2)c(F)c1 1636087348 IAIXCLJACMTZRF-LJQANCHMSA-N 456.449 1.880 30 10 JDEE N#Cc1ccc(N2CCN(CC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)CC2)nc1 1653202286 FBTZCENYDPTVAO-UHFFFAOYSA-N 454.556 1.498 30 10 JDEE C=C(C)COc1cccc(NC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 1668760472 LAXICNMOAIZLAV-SFHVURJKSA-N 457.574 1.308 30 10 JDEE C=CCn1cc(CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)nn1 1683315049 GPRWOCAXAIWKGO-BBWFWOEESA-N 461.523 1.188 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1689892679 LACTUEKIFZMRQB-HUUCEWRRSA-N 465.498 1.182 30 10 JDEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1689900809 QSRCWHWZYDFEGT-LJQANCHMSA-N 450.543 1.022 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1689982148 ITRRLSXXMOEAPS-UGKGYDQZSA-N 476.603 1.151 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(OCC(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1689992470 LDMMVVMPWXOKCP-SFHVURJKSA-N 459.572 1.016 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1690288371 VKFXJYOTRGXAEW-MRUHUIDDSA-N 482.607 1.291 30 10 JDEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1690486287 CXGHJMLKJIINKD-UHFFFAOYSA-N 466.586 1.651 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2csc(COC)n2)C1 1690700612 VIGBEHHTLBWWCI-HOCLYGCPSA-N 453.590 1.613 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1690719405 LRJJQCLANWRAMY-RBUKOAKNSA-N 489.598 1.811 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1690724223 KQLSUZFVDBEQJC-IBGZPJMESA-N 471.587 1.714 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1690727110 SZHLLWKOPBNKBK-LJQANCHMSA-N 465.645 1.690 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1690729341 MJEARUOOPBQIOV-NRFANRHFSA-N 479.990 1.970 30 10 JDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1697007201 FXVRSHHKXGADLX-LJQANCHMSA-N 453.547 1.023 30 10 JDEE C[C@H]1CN(C2CCOCC2)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1698458812 FWDDPFGQBPILHL-SFHVURJKSA-N 488.614 1.463 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1705524984 WCJLAYQWMZOEKH-GJZGRUSLSA-N 451.553 1.386 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705558630 CYKIOCPGMMRPEQ-LNLFQRSKSA-N 465.620 1.496 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCc2cccnc21)[C@@H]1CCS(=O)(=O)C1 1705558778 HSRGYNMYMHQXRT-RBUKOAKNSA-N 470.599 1.558 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@]2(O)CCOC2)CC1 1705636776 XLOCYEQJWGJTQC-OAQYLSRUSA-N 476.375 1.623 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2(CCOC)CCCC2)CC1 1705651089 IYXGIRMENQTQAE-UHFFFAOYSA-N 470.618 1.963 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1705664417 OMFUPPIVRDSBAQ-LJQANCHMSA-N 479.676 1.614 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1705699676 KGFFMRODMMRPIM-AYBZRNKSSA-N 466.608 1.119 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705705756 KZKKXASJLHCMKY-WAOWUJCRSA-N 460.604 1.715 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1705791889 HEKWJUAGIFNFBR-TUVJXNFZSA-N 467.636 1.811 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1705905982 NHMINLCWSNFHBL-QGZVFWFLSA-N 460.604 1.958 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(CS(C)(=O)=O)c2)C1 1705922730 RIYKLBZZUYSLPV-OALUTQOASA-N 459.572 1.603 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1705960770 PCHLAJIJHNAWCN-RSTPCFTMSA-N 488.552 1.648 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCS(=O)(=O)C1 1706068046 DACAMPLFCHPEFH-IAGOWNOFSA-N 494.643 1.616 30 10 JDEE CC(C)COC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1706519649 HLOBSRKWXMLNEX-UHFFFAOYSA-N 489.602 1.671 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1706622032 HUDFCYFUMUKJHX-NRFANRHFSA-N 499.641 1.435 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCCN1c1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1722359316 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C#CCNC(=O)C1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCS(C)(=O)=O)CC1 1722444084 UHNZGVAOUBGKHD-UHFFFAOYSA-N 469.611 1.759 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1722447704 MUQCCECKPFGZAG-QFIPXVFZSA-N 480.613 1.737 30 10 JDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722534178 LJVWHQXUPHJNHT-OFNKIYASSA-N 467.618 1.845 30 10 JDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722621179 WQMJHCBQMGJHBY-UHFFFAOYSA-N 465.518 1.105 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722694856 KTRHLUYRDVGIGN-QGZVFWFLSA-N 469.546 1.211 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1722697977 ARBYZULVNAWECN-LEWJYISDSA-N 454.575 1.330 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3cnn(CC)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722703917 LMTXPLPSDRHPKF-XXBNENTESA-N 473.578 1.415 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCN(C(C)C)CC2)C1 1722719272 SBGXTJWKFFWWDG-RTBURBONSA-N 467.636 1.197 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC([C@H]2CCCO2)CC1 1722730133 JOUOMOOZRXFRDE-GOSISDBHSA-N 451.593 1.397 30 10 JDEE CC(C)N1CCC(O)(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)CC1 1723540523 HLSFLMVRSNLYAL-QGZVFWFLSA-N 473.603 1.234 30 10 JDEE Cc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)N2CCSCC2)n1 1724491370 FXHBDOJJBMRJOR-LJQANCHMSA-N 465.580 1.469 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1740624319 HYGTYJMHJGTVQB-PMACEKPBSA-N 489.573 1.554 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1740624846 MBCIRZBNIDXRLJ-PXNSSMCTSA-N 465.601 1.066 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCOC2CCCCC2)CC1 1740690837 OLJOZXNMZWFQNO-GOSISDBHSA-N 452.625 1.383 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1740696162 NKLOHIYUTRPUMS-MSOLQXFVSA-N 456.513 1.190 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCS(=O)(=O)N(C)C)CC1 1740697451 FAXGUIBXRMIBDV-UHFFFAOYSA-N 468.530 1.193 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1740717643 XOZJYAORILFEAO-BFHYXJOUSA-N 452.524 1.703 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ncnn1CC(F)F 1740763808 QJNHFUJORVBMPN-FOIQADDNSA-N 464.521 1.875 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1740957003 YANZXDLRJAHHIA-OAHLLOKOSA-N 459.938 1.465 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740957592 TVBIONWJTSKXCW-UHFFFAOYSA-N 498.613 1.293 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1740986920 KVWVUHRKQIYJBB-MSOLQXFVSA-N 499.663 1.144 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)N(C)C)C[C@H]2C)CC1 1741058635 JJJMLZMIUZSOKT-XMSQKQJNSA-N 478.601 1.284 30 10 JDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1745880023 HEQJWGNTUGYAGR-UHFFFAOYSA-N 489.584 1.675 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 1748692841 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C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1760180971 NUQKOBWKZHBVQL-XMSQKQJNSA-N 460.556 1.386 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1760189668 VNBXVUUTHVLWRQ-XQBPLPMBSA-N 452.621 1.986 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760190430 QPPRLEXWYUCCNF-QGZVFWFLSA-N 463.629 1.719 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCN(c2ccccc2)CC1 1760205587 FJAKFIGWJUFULF-QFIPXVFZSA-N 480.638 1.465 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCNC(C)=O)CC1 1760273575 YRYYRYPCNWOWSU-WOJBJXKFSA-N 458.607 1.689 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(c2ccccc2F)C1 1760464879 QZBDEHRXWLSISS-XLIONFOSSA-N 478.594 1.899 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(c2ccccc2F)C1 1760464880 QZBDEHRXWLSISS-YLJYHZDGSA-N 478.594 1.899 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760514999 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1.866 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1286789260 BMAAELZBQSJMML-GOSISDBHSA-N 453.551 1.592 30 10 JDEE C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1286796619 MFDJVLLSEJQRAU-UHFFFAOYSA-N 482.585 1.522 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1288268131 BWXJSGFEEHCORM-IBGZPJMESA-N 471.587 1.346 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1Cc1cnn(C)c1 1288851722 HLYBBDDUAXYDGO-QGZVFWFLSA-N 483.602 1.258 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(OCC(N)=O)c1 1300311227 RCSSYTAINWPVQN-YLJYHZDGSA-N 498.584 1.957 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1300481328 ACAFHPYDEXMWKA-OAHLLOKOSA-N 497.419 1.577 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC[C@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300493220 SOCOJVNMKSWZDE-ZFWWWQNUSA-N 458.466 1.329 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN1CCOCC1(C)C)[C@H]1CCS(=O)(=O)C1 1300495284 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1.472 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCC(O)CC1 1507702845 MWQXMXVZCCPLGE-UHFFFAOYSA-N 480.613 1.605 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1507731995 AKJSAXNXRMWXCV-PMACEKPBSA-N 499.660 1.368 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)c2ccc(OC)cc2)CC1 1507732884 YTHWTJLYCQCIKT-IBGZPJMESA-N 471.627 1.922 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC(=O)NCc2ccco2)CC1 1507734042 FZYALEDREKHNHG-UHFFFAOYSA-N 476.537 1.829 30 10 JDEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C(N)=O)CC1 1507842332 GXLAJLIYZLPDBT-UHFFFAOYSA-N 461.592 1.533 30 10 JDEE C=CC1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCS(=O)(=O)N(C)C)CC1 1507906456 IXBMFZKPMGAKLU-UHFFFAOYSA-N 457.560 1.888 30 10 JDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC12CC(NC(=O)OC(C)(C)C)(C1)C2 1507967183 CUEGQPBAOBYXQD-WPUWVODUSA-N 454.597 1.958 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](CC)C1 1508084356 ARVBPHDDWPSPHF-IRXDYDNUSA-N 465.558 1.981 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1508092589 DADGZNSQXOHHPI-NRFANRHFSA-N 497.625 1.948 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc2ccccc2s1 1508093781 WDVXVSANVBHBBY-AWEZNQCLSA-N 460.585 1.729 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1508095802 VOINUEBUUXQION-UHFFFAOYSA-N 493.399 1.731 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1508137787 RDBYBVALENHKSA-UHFFFAOYSA-N 475.596 1.981 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](CCC)C1 1508140406 NRKQLIYLWAFSJJ-KRWDZBQOSA-N 486.598 1.798 30 10 JDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1509734928 BTXMTMWRFNZJPL-OAQYLSRUSA-N 480.617 1.720 30 10 JDEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@](F)(C#N)C2)CC1 1515891886 HLXAPFHIVGXIEY-MBSDFSHPSA-N 489.621 1.817 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)CCO2 1519164170 HEPUZPCQGKKHBN-LJQANCHMSA-N 459.572 1.724 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(C(=O)NCC)cc1)[C@@H]1CCS(=O)(=O)C1 1539226455 YQGDLXNIKGBOEE-JOCHJYFZSA-N 492.605 1.689 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1539229408 CFLFQBJDPNSTEG-RTWAWAEBSA-N 487.630 1.025 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1539229482 DWRXNVSYJDYXJX-LEWJYISDSA-N 490.651 1.515 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1539231475 VXKZGNJIAGERLA-JXALWOEJSA-N 488.610 1.641 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC[C@@H]1COCCO1 1539273416 RDMGEVZTMJEJFC-XMMPIXPASA-N 462.598 1.521 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(O)CCOCC2)CC1 1539489799 XYDLHECRJPVHQN-UHFFFAOYSA-N 483.569 1.373 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1539517284 LEVKPMSWCOWXLD-WOJBJXKFSA-N 480.704 1.151 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1539916364 KMJMIVKKXBJTEN-FHWLQOOXSA-N 483.635 1.598 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cncn1 1540134192 TWBLFALQHDPIGK-LJQANCHMSA-N 472.575 1.095 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1540868428 FHCIOEXZMWBOSW-LJQANCHMSA-N 469.571 1.446 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1540880912 TXQBZMZSBHVTHI-IBGZPJMESA-N 488.614 1.750 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1540905137 TVKRJTHIFKOWPZ-IBGZPJMESA-N 458.588 1.334 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1540905567 XKEUMBNMEGWITF-JOCHJYFZSA-N 459.572 1.195 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C 1540908654 KVJCIHFYGNKUBB-LZLYRXPVSA-N 453.609 1.464 30 10 JDEE COCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1555216265 ARHROGOCNPPQRC-UHFFFAOYSA-N 451.575 1.890 30 10 JDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)C[C@H](O)c1ccccc1 1567252300 FFGCWFCTZNTQPK-IHPCNDPISA-N 459.568 1.741 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCOC[C@H]1C 1587574086 BDQKWKPFLIYKIP-IAGOWNOFSA-N 459.620 1.725 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1588053083 AWVPKFJNHAZBMZ-HGKJHCCASA-N 454.618 1.448 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1588070107 WVKZVVCISUXYHG-AUSIDOKSSA-N 490.651 1.969 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2cccc(OC)c2)CC1 1588233862 SXPPGACDKCOSGD-QFIPXVFZSA-N 497.621 1.814 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1588384761 ATJYLXIGPSPJFA-IRXDYDNUSA-N 484.623 1.326 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC1CCCC1 1589216122 KHEPKLNHPOJZOG-DENIHFKCSA-N 465.620 1.952 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1589287621 CDRYXYZMYBMWKB-CQSZACIVSA-N 455.357 1.153 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H]1CCN(Cc2ccccc2)C1 1595465981 BZRHSBLREBQLGZ-OAQYLSRUSA-N 465.602 1.775 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](N2CCCC2=O)C1 1595805167 LKECJTKRNMYWNU-INIZCTEOSA-N 479.553 1.949 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCN(C(C)=O)CC1 1595830349 AJRVNFDKCKOVMT-RTBURBONSA-N 467.636 1.856 30 10 JDEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1CC(=O)NCC(F)F 1611846989 GMYKHCRQDQFJBQ-GFCCVEGCSA-N 468.534 1.524 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1615916592 AAHUGVNDSAVOCD-UHFFFAOYSA-N 468.562 1.352 30 10 JDEE CNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1618514204 FTRHHLNOFDHHHQ-KRWDZBQOSA-N 450.547 1.200 30 10 JDEE C#CCN1CCC[C@H]1C(=O)N(C)Cc1cccc(Br)c1OCCS(C)(=O)=O 1633162774 OMFQISSXFFCJNT-KRWDZBQOSA-N 457.390 1.929 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOCCCO)[C@H]1CCS(=O)(=O)C1 1689998046 ALAWZVDOWZRLIM-IPMKNSEASA-N 468.620 1.222 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(C)(C)O)c1 1690046530 DAPCKYRGLFAWQB-OAQYLSRUSA-N 485.610 1.350 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2ccccc12 1690103458 CWUVOXNDVVNUKN-OAQYLSRUSA-N 486.598 1.421 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1690110279 FOYNQXAAZVKKLF-NRFANRHFSA-N 498.031 1.875 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cnn(C)c2C)CC1 1690113905 XPWBWEZRDGSPBV-UHFFFAOYSA-N 457.380 1.892 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1690309664 GKYKMUPSZMBUGI-RTBURBONSA-N 480.635 1.653 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1690644279 BPJQIPWFSWLLRE-MSOLQXFVSA-N 498.650 1.880 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1C(C)(C)C 1692622068 DGFDVJDISDNIAQ-UHFFFAOYSA-N 460.608 1.497 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC(C)C)c1ccccc1OC 1705552234 WOAMAXSGKCCEHY-RTWAWAEBSA-N 491.614 1.855 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1705559288 WLRCHAPZSFUVIA-RTBURBONSA-N 464.636 1.163 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1705563440 XUMWJDUPQLLKDP-VGSWGCGISA-N 460.556 1.504 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC[C@H](C(F)F)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705566643 PWNZNQZZVCTREL-FUHWJXTLSA-N 482.557 1.256 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(OC(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1705568021 FUHQVWXQBMYPAY-NRFANRHFSA-N 497.625 1.997 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1705571309 YPDROEZIOYLXMV-LJQANCHMSA-N 457.600 1.462 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(C)cccc1C 1705582702 HSSGRPMNAXDRCT-OAQYLSRUSA-N 455.584 1.543 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@H](N1CCOCC1)C(F)(F)F 1705589461 QQGQUAVZYXCNJG-GOSISDBHSA-N 468.524 1.923 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1705725917 XZBWPRGNTMRHMA-SFHVURJKSA-N 462.576 1.183 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1705747768 UPVZYIMZSFCFMW-SOUVJXGZSA-N 463.004 1.008 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1705899780 GXKDZDDFDKPMJY-SFHVURJKSA-N 454.579 1.098 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(F)cc2)CC1 1705907781 XJUMDVMBNZMKFC-UHFFFAOYSA-N 452.538 1.908 30 10 JDEE CC(C)(C)OC(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1706172034 IBCWBLOMEAMYMI-QGZVFWFLSA-N 453.503 1.982 30 10 JDEE CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1708304380 AOQFGKMHWBRGIG-UHFFFAOYSA-N 477.573 1.720 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(OC2CCCCC2)c1 1722352356 OHEXOPLKDAAPTF-HXUWFJFHSA-N 488.614 1.835 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCSCC)[C@H]1CCS(=O)(=O)C1 1722372289 TUNARIVFUIDWRG-SFHVURJKSA-N 450.634 1.910 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCC1(COC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722372367 VEIHPTAWOFMCJQ-LJQANCHMSA-N 477.631 1.624 30 10 JDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCCn1cc(Br)cn1 1722400998 HZTUMHHAWVPLSO-UHFFFAOYSA-N 458.364 1.913 30 10 JDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)CN1CCOCC1 1722406599 ZGDXBKLVHAAMHE-GOSISDBHSA-N 473.647 1.974 30 10 JDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCN2CCN(C(C)=O)CC2)CC1 1722440523 ASADSBJCOGLQSD-UHFFFAOYSA-N 465.602 1.085 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@]2(O)CCSC2)CC1 1722445441 QELPMCFFHVYADJ-HSZRJFAPSA-N 455.584 1.788 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1722448371 SSEFLFWIYYFXHD-PMACEKPBSA-N 455.607 1.315 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1722448380 SSRUVQVQHNIZQB-ICSRJNTNSA-N 455.607 1.315 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCS(=O)(=O)C(C)(C)C 1722672580 UNJBDCHIYKHCRV-INIZCTEOSA-N 475.637 1.003 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCN2CCN(C(C)=O)CC2)C1 1722714563 KYTUWJATVYDLIZ-JOCHJYFZSA-N 454.575 1.899 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(=O)N2CCOCC2)C1 1722715879 QOFSHXGXQUDXRW-GOSISDBHSA-N 457.531 1.602 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722726761 DYOKKTBHIVMJJU-KRWDZBQOSA-N 469.571 1.399 30 10 JDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)CN2CCOCC2)C[C@@H]1C 1730788319 FHIUKWVBKIBXEC-RTWAWAEBSA-N 467.618 1.942 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 1740562827 QRXUWHVUFMVBCO-IBGZPJMESA-N 493.593 1.678 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1740618059 BKVXVZUODGWVDJ-LJQANCHMSA-N 454.556 1.671 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1740627540 IFDLHIFGTZWFDY-NHCUHLMSSA-N 488.610 1.852 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1740627908 TZMWEYHVKVYQJE-RBUKOAKNSA-N 492.623 1.194 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC(OCC)C1 1740655544 CSZPVHPKZNMVJA-MHJFOBGBSA-N 463.604 1.279 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCS(=O)(=O)CC)CC1 1740698819 WWJAYCKOBPPAHZ-UHFFFAOYSA-N 496.431 1.906 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@](C)(OC)C2CC2)CC1 1740698844 XGZYJDLXAAVCRN-QHCPKHFHSA-N 457.600 1.919 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1740699336 CBFJRVBANJHOJR-NRFANRHFSA-N 468.583 1.451 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCN2CC)CC1 1740706074 QYDLAWCOGWVLHZ-WOJBJXKFSA-N 476.647 1.020 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCn2cc(Cl)cn2)CC1 1740825080 JDGBHEOLXBGCBI-MRXNPFEDSA-N 455.972 1.318 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCCC2=O)CC1 1740875621 GTKWLINBZPUFBQ-SFHVURJKSA-N 466.608 1.168 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1740956251 JAWDFMKZVPKQEO-UHFFFAOYSA-N 469.937 1.421 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1740964513 PZCNTAJEMIUHFW-SFHVURJKSA-N 469.521 1.709 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)CCN1CCOC(C)(C)C1 1740990795 FRPFLFJTXDGXAD-GOSISDBHSA-N 455.625 1.668 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccsc2)CC1 1740996206 IOYAGZMMFQQBBA-HNNXBMFYSA-N 484.673 1.831 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCCCC1 1748671514 JWBTYRLYPQKFSG-ZWKOTPCHSA-N 452.625 1.333 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748821134 MDWKANDLNTWBTA-IRLDBZIGSA-N 482.610 1.696 30 10 JDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCNS(=O)(=O)c1ccc(C)s1 1748901446 XZAAINLVRLVZKD-UHFFFAOYSA-N 474.612 1.212 30 10 JDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1NC(=O)CC1(C)C 1748959481 UWDZBOBTIMABCY-KRWDZBQOSA-N 473.603 1.239 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1749011146 WHBNZUDPLGJCGI-KRWDZBQOSA-N 471.583 1.354 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1749037753 IAWSMLVIMKIDNP-KSZLIROESA-N 455.650 1.992 30 10 JDEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1749574414 UJHXQIRNHFDMJF-UHFFFAOYSA-N 462.558 1.936 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1749600336 WFVJSJDPBGSYLR-HOTGVXAUSA-N 481.541 1.082 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(Oc3cc(C)ccn3)CC2)nnc1[C@]1(OCC)CCOC1 1749681832 JUVCGIVHKYGVBZ-DEOSSOPVSA-N 470.574 1.984 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN2CCOC[C@@H]2C1 1749724574 KHWGIJXGCXXZTP-LEWJYISDSA-N 459.616 1.942 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1749734257 HEZJHCHEDHEPJC-SFHVURJKSA-N 494.662 1.984 30 10 JDEE C=CCS(=O)(=O)CCn1c(N(C)C2CCC3(CC2)OCCO3)nnc1[C@@]1(OCC)CCOC1 1749740056 OUDOGFYWVBWWKI-OAQYLSRUSA-N 484.619 1.653 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1749791672 NVEBOTXYYYNUGW-GOSISDBHSA-N 459.576 1.061 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(OC)c(OC)c(OC)c1 1760097383 DPMWTIVTNCOSAM-KBPBESRZSA-N 451.549 1.420 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1760182562 KTKOCPCOXBKMAR-KKSFZXQISA-N 460.560 1.103 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2nc(C(F)(F)F)cs2)CC1 1760260399 QOXBRLUROZHRFV-ZDUSSCGKSA-N 453.494 1.702 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2csc([C@H](C)OC)n2)CC1 1760269116 YQDQQPOXXDVZPY-HNNXBMFYSA-N 466.571 1.913 30 10 JDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760276376 BNJLKKYAOYVMAN-HNNXBMFYSA-N 455.009 1.878 30 10 JDEE C=C1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCNS(C)(=O)=O)CC1 1760391589 JBZHLBDEBKGCBJ-UHFFFAOYSA-N 473.647 1.348 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(Cc2cc(C)on2)CC1 1760519795 PVGKFWUFCCXABD-UHFFFAOYSA-N 481.557 1.883 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2csc(C)n2)CC1 1769368451 CMCUJRBUIQSTPU-UHFFFAOYSA-N 486.627 1.453 30 10 JDEE N#CC1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(=O)NCC(F)F)CC1 1770746228 BDDSSGFFXSXZNQ-UHFFFAOYSA-N 486.571 1.764 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CCCCC1)N(C)C 1772564370 MQOSLOZTPUTXHI-MOPGFXCFSA-N 454.641 1.744 30 10 JDEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861609637 OGLIITWVEKWHDZ-UGKGYDQZSA-N 479.533 1.952 30 10 JDEE COc1cc(C(=O)NCC(=O)Nc2c(C#N)nnn2-c2ccc3nc[nH]c3c2)cc(OC)c1OC 1870140255 HCHJUXKBCDSXEP-UHFFFAOYSA-N 476.453 1.410 30 10 JDEE COC(=O)c1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 1874273204 BXVUGCXSFZWFSQ-GQLBNTDBSA-N 458.544 1.639 30 10 JDEE CS(=O)(=O)c1ccc2nc(N3CC(C(=O)N4CCC[C@H](Oc5nccnc5C#N)C4)C3)sc2c1 1891648573 SREBPVYFWJTEKX-HNNXBMFYSA-N 498.590 1.868 30 10 JDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N1CC(O)(C2CCN(C(=O)C(F)(F)F)CC2)C1)C(F)(F)F 2180830252 PXZOIQAHNRAJRI-LBPRGKRZSA-N 487.319 1.360 30 10 JDEE C=C(CS(=O)(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2255802779 DVCXCBCRORTFIU-MRXNPFEDSA-N 459.418 1.645 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2267465357 VTSSOJFVQZPBBP-GJZGRUSLSA-N 488.437 1.696 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NS(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267469231 RWXBLRDXWSFXDR-NHAGDIPZSA-N 485.437 1.727 30 10 JDEE CCn1cc(C(=O)NCCOCCNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267484418 ANMVUDCFECFWLK-UHFFFAOYSA-N 452.361 1.473 30 10 JDEE CN(CC[S@@](C)(=O)=NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267504094 NFYWTENWOAXDQO-JGCGQSQUSA-N 470.401 1.824 30 10 JDEE CC(C)(C)OC(=O)NOCCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267759763 OLTTWTXRIQSHTJ-UHFFFAOYSA-N 452.313 1.973 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268701505 QGWAZWVOWFZKNZ-LBPRGKRZSA-N 468.385 1.217 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)n1 2281955262 JKEQQMCIOKSPLW-QDMKHBRRSA-N 461.372 1.775 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CNCCN2Cc2ccccc2)n1 2282008417 JASLKQPIVKQXBX-LJQANCHMSA-N 453.396 1.406 30 10 JDEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282101979 GWFVHGHVXKSPAC-KFWWJZLASA-N 463.388 1.973 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1(CNC(=O)OC(C)(C)C)CCCC1 2282330273 XKHMTQDKOOEKCT-UHFFFAOYSA-N 484.428 1.835 30 10 JDEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282351400 ZYAJIKDOHAICMP-OAHLLOKOSA-N 484.428 1.739 30 10 JDEE CCCN(CCNS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2282507882 NKXCICLAPCGQMQ-UHFFFAOYSA-N 486.444 1.953 30 10 JDEE CCc1nn(C)c(C(=O)N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282558622 JYRXSIHDGWATBT-LSDHHAIUSA-N 464.372 1.304 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H]1O 2282620450 FPKAESRHJMKSAS-IMJJTQAJSA-N 462.356 1.170 30 10 JDEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@]2(C)CO)cc1B1OC(C)(C)C(C)(C)O1 2282629547 XCAUFMUGHIIZDG-QFIPXVFZSA-N 464.372 1.163 30 10 JDEE CC1(C)OB(c2nccnc2C(=O)N2C[C@H]3CC[C@H]2[C@@H](NC(=O)C(F)(F)F)C3)OC1(C)C 2283067495 DOFFRZGDOWGJIZ-AVGNSLFASA-N 454.258 1.447 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](COCc1ccccc1)CC(=O)O 2284407860 PVDAIIBMNDQPMB-INIZCTEOSA-N 479.364 1.058 30 10 JDEE CN(C[C@]1(O)CCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2286313059 OGXOQOLHHNNEMW-JOCHJYFZSA-N 464.372 1.543 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCN(C(=O)c4ccco4)CC3)cc2C1=O 15125110 AEFOYLYPKCHCRK-UHFFFAOYSA-N 451.435 1.203 30 10 JDEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(OC)cc3)n2N)cc1 20805935 ZJAJTNCOQINRDR-SSDVNMTOSA-N 455.500 1.964 30 10 JDEE COC1=C(S[C@@H]2OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C(=O)c2ccccc2C1=O 504779540 JDCNBMWDXWHBMP-HZGQWHLTSA-N 478.475 1.808 30 10 JDEE biogenic COc1cc(/C=N/Nc2nc3c(c(O)nc(=O)n3C)n2C[C@@H](O)COc2ccccc2)ccc1O 606629786 HCXHDSCWFFTBRN-SWKNLOBNSA-N 480.481 1.436 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)N2CCOCC2)c1 1286309646 TWHLIFDDQTUJFD-IBVKSMDESA-N 496.612 1.707 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC2(C(N)=O)CCOCC2)c1 1286309937 PLBHASXEVVBMJB-UHFFFAOYSA-N 475.553 1.622 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1286325160 WIFZSNCXDJLEHU-FUHWJXTLSA-N 461.592 1.558 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286386224 WTTNXUIAPDIAQW-RBUKOAKNSA-N 451.637 1.559 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1286387242 BVPJKCJHCSDUDZ-IBGZPJMESA-N 464.613 1.569 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1nc(C(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1286392191 BBYRWOOYDBFMQB-MRXNPFEDSA-N 476.628 1.655 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCCC2)nc1 1286419869 HCEZBZWHNKZOTE-LJQANCHMSA-N 469.615 1.785 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CC1 1286431984 VBLIMETWSRMMGZ-OAQYLSRUSA-N 467.595 1.806 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1Cl 1286465997 CWCGMWLRZDPJRL-SFHVURJKSA-N 485.969 1.538 30 10 JDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1286604433 STLSUKOBLUSQOA-UHFFFAOYSA-N 465.562 1.961 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1286781780 AEITVSRRLHUHET-SFHVURJKSA-N 488.614 1.392 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286783860 OCSAVKGIBULPLL-KRWDZBQOSA-N 477.587 1.666 30 10 JDEE CC(C)(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1287084149 HHFAAGAOMQZKJE-GOSISDBHSA-N 486.598 1.753 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCOC[C@@H]2C)c1 1300332704 LIUHERONDBOCKJ-PXNSSMCTSA-N 465.558 1.006 30 10 JDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)NC(C)C 1300458038 DPBDDRHLBZUSAF-UHFFFAOYSA-N 468.624 1.790 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300504642 PJESVCSVSJCPFK-GOSISDBHSA-N 491.618 1.291 30 10 JDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNS(=O)(=O)Cc1ccon1 1300613791 PNAGVWYIEOTVLM-UHFFFAOYSA-N 472.527 1.283 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCC(=O)NC)CC1 1300719239 SVNOESJRWBPDAF-UHFFFAOYSA-N 468.558 1.454 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)CN2CCCC2)CC1 1300733582 XMHVUKDYLAONKQ-HJNYFJLDSA-N 472.634 1.700 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCC(F)(F)CC2)C1 1301477518 BPVJKCPZZQLBSK-AWEZNQCLSA-N 460.551 1.596 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](NC(C)=O)C1 1301586274 JPZNYOPOKHFPAD-SFHVURJKSA-N 471.587 1.222 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)C1CCC(NC(C)=O)CC1 1301588940 MMQNHKZORQJDLU-LMDPOFIKSA-N 453.609 1.656 30 10 JDEE C[C@H]1OCC[C@@]12CN(c1nnc(COc3ccc(C#N)cc3)n1CCC(=O)N(C)C)CCO2 1305250830 CLDZAOLJFBWVEF-UZUQRXQVSA-N 454.531 1.591 30 10 JDEE CCN1CCN([C@@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCS(=O)(=O)CC)C2)CC1 1313944814 GOUYXIHOATVVGH-OAQYLSRUSA-N 471.631 1.468 30 10 JDEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CCOC)CC2)CC1 1313948234 CBIVDJRUZUFGPQ-JOCHJYFZSA-N 480.661 1.859 30 10 JDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F 1353197433 ALRSWTYOWUIOMG-UHFFFAOYSA-N 451.455 1.832 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1358958329 LTNCRGBXIXXNQK-HXUWFJFHSA-N 496.549 1.710 30 10 JDEE C#CCN(c1nnc(C2CC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O)[C@H]1CCS(=O)(=O)C1 1358961632 CCCKHXLSLHTNPA-HKUYNNGSSA-N 459.547 1.266 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOC1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1358964130 ULBOTOXLBBQVFD-RBUKOAKNSA-N 498.671 1.546 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)N(C)C)cc1 1358994930 ZKSYJQLGVRWTFE-LJQANCHMSA-N 468.583 1.785 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2CCN(C(=O)OC)CC2)CC1 1359028658 ZLSNTBQKDTYGBJ-UHFFFAOYSA-N 459.595 1.430 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2ccccn2)CC1 1359041860 KXIHQFGUWBEIQI-UHFFFAOYSA-N 492.605 1.952 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)COC)CC1 1359047031 OHTRKJREZXRKIC-SFHVURJKSA-N 450.543 1.977 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1359107933 YGJLDVYDVKFQSR-ROUUACIJSA-N 477.635 1.959 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1359332151 QJWFKGGTNSEHQF-SFHVURJKSA-N 478.619 1.201 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359334307 AHJANAKBHWTBBJ-IBGZPJMESA-N 478.619 1.378 30 10 JDEE C#CCN(CC(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1)C(=O)OC(C)(C)C 1465187337 MNZPSVMXCRBNTJ-UHFFFAOYSA-N 455.499 1.672 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)CC1 1470145571 GIQZOFGPMQQLSY-MRXNPFEDSA-N 456.366 1.090 30 10 JDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H](CO)Cc2ccccc2C(F)(F)F)c1 1472525283 CFDPXBBNCNAZSF-HNNXBMFYSA-N 455.458 1.823 30 10 JDEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 1476728724 KIEURJAYHATXRM-UHFFFAOYSA-N 450.297 1.377 30 10 JDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1507571952 SFJLZDUUCSWVSS-PNJWGLBASA-N 472.634 1.794 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1507625825 BDBPOKJLFJBLQT-IAGOWNOFSA-N 465.963 1.426 30 10 JDEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507626450 AIWOFZUCZIDREM-LJQANCHMSA-N 480.594 1.988 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1507628133 VALFXSWCCQHARH-SFHVURJKSA-N 459.572 1.497 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CCN1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1507628493 HUAMAWQNTJLIPI-NRFANRHFSA-N 484.626 1.044 30 10 JDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1507673670 YQISPVJUCOUTLW-PMACEKPBSA-N 466.565 1.210 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2OCC[C@H]2C)CC1 1507718194 MIXWRXWNCPCQHG-WIYYLYMNSA-N 472.615 1.376 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCCS1(=O)=O 1507760764 GJFCQVZIZYCFEZ-RTWAWAEBSA-N 451.593 1.346 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1507774439 FMGMVSRGANCVTN-GJZGRUSLSA-N 471.400 1.692 30 10 JDEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NCC)CC1 1507789417 WMQPZCXSFVDHIJ-UHFFFAOYSA-N 468.425 1.801 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC[C@@H]1OC 1507820783 MZYYZXRWGAZZSK-BZSNNMDCSA-N 457.597 1.065 30 10 JDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1507843447 YARAZVRGJZCPFT-SFTDATJTSA-N 482.633 1.954 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1508106178 RZGGBEXWNYGDFL-UHFFFAOYSA-N 469.590 1.240 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(C(=O)NC)c2)C1 1508124317 LMZJLWAMWCIFET-PMACEKPBSA-N 473.599 1.564 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCN2CCOC[C@@H]2C1 1508145013 ZOPCZGPKQAOHKO-NRFANRHFSA-N 459.616 1.575 30 10 JDEE CC(=O)N1CCN(CCn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@@H](C)C#N)CC1 1508271364 CMPZMDCQEFWHMO-INIZCTEOSA-N 458.592 1.030 30 10 JDEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CNC(C)=O)C2)CC1=O 1519190702 DBHSXGFDJDPXEK-RTWAWAEBSA-N 479.585 1.664 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ncn(C)n2)c1 1539046520 UZAGQOVLXCFNJA-UWJYYQICSA-N 464.530 1.235 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1539094409 PLLKLOARLLHDOM-QGZVFWFLSA-N 458.588 1.325 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1539101593 BZJSHHRFLACGJW-UHFFFAOYSA-N 479.628 1.528 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccnc(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1539200642 NDHJSXOSEDGEFW-OAHLLOKOSA-N 482.513 1.088 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1539229766 IACMWEZYCKLSNW-FQEVSTJZSA-N 489.667 1.575 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CCC(=O)N2CCOCC2)CC1 1539461102 AKXJONALHRWEDC-UHFFFAOYSA-N 482.585 1.260 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1539477220 KIENGPIAHVULFU-JOCHJYFZSA-N 493.612 1.184 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1539599287 CNSXIWFEZVOVKL-IRXDYDNUSA-N 499.435 1.808 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)C(C)C)CC1 1539617593 XREONCZIQVRZAA-SCTDSRPQSA-N 482.651 1.611 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539629792 YJUCSKHFRVXJFT-HKUYNNGSSA-N 455.563 1.428 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2csc(C)n2)CC1 1539848694 QILIEYGDMDQNJC-QGZVFWFLSA-N 452.606 1.775 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1540874535 JUYWLMOLERTKSJ-GOSISDBHSA-N 461.588 1.790 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1540901675 LXUGWGXAXCYXDP-UHFFFAOYSA-N 487.586 1.452 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)COC)CC1 1540902037 YKYHHTFQEZMDFD-UHFFFAOYSA-N 499.597 1.027 30 10 JDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cccc(OCC(=O)N(C)C)c2)CCOC1 1547891754 DDPICZDPIKZGEZ-DNQXCXABSA-N 486.548 1.887 30 10 JDEE CNC(=O)[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 1548396139 GMMPAUWLFWLXKL-ZWKOTPCHSA-N 490.490 1.301 30 10 JDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCN(C(C)C)CC2)CC1 1555206218 GZCVOLIMWAQSOR-UHFFFAOYSA-N 495.628 1.783 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2Cc2nccc(C(F)F)n2)cc1 1555990426 HMULYWMLPYRRNM-UHFFFAOYSA-N 454.441 1.831 30 10 JDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CC(Oc4ccc(C#N)cc4)C3)CC2)c1 1556131167 FVXXHNZQTRINGP-UHFFFAOYSA-N 454.552 1.608 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)NC(C)C)c1 1587689550 KVGXPLWUKVUDKJ-UHFFFAOYSA-N 484.586 1.063 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1588068916 CCMURCSHOLBJFK-SFHVURJKSA-N 470.555 1.274 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1588069004 FBTGNVGNEYQBMN-FPOVZHCZSA-N 469.567 1.780 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCn2nc(C)cc2C)CC1 1588750945 HHZXKDCCSAXEFF-DEOSSOPVSA-N 455.607 1.978 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1588768232 CCNMHONQJWROJI-UHFFFAOYSA-N 483.374 1.616 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC2CCS(=O)(=O)CC2)CC1 1588913890 SPXJDXPQXXEPGC-UHFFFAOYSA-N 456.572 1.131 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1588975230 FRLHJIVBJGHHAP-UHFFFAOYSA-N 460.526 1.678 30 10 JDEE C#CCSCCn1c(COCC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1589116063 CIVSLKHGDANOKG-PMACEKPBSA-N 462.664 1.808 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccncc1Cl 1589216545 RAPOEXUNMJYCTM-FXAWDEMLSA-N 464.979 1.700 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)F)C1 1593746528 HSNMOLIQEJLCTG-JKSUJKDBSA-N 463.551 1.685 30 10 JDEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)[C@H]1CC)c1ccccc1 1594535520 RYVWUPFMRZDFBS-QXAKKESOSA-N 460.604 1.963 30 10 JDEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)CC1)c1ccccc1 1594544964 PAOFIMUYWGJNPS-RTBURBONSA-N 464.613 1.775 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1595569160 BDECUCKZDPHGPG-UHFFFAOYSA-N 481.601 1.930 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(O)CCOCC2)C1 1595688011 FGLYWELLAGCHKN-GOSISDBHSA-N 462.572 1.671 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1595811973 IWNXLCXQQGLFIM-NRFANRHFSA-N 480.660 1.536 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1595837718 BZUIVCJAQJJZST-QGZVFWFLSA-N 470.665 1.541 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)s1 1630724947 ODODCVBTVIBQEP-AWEZNQCLSA-N 454.574 1.726 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689978008 JUBLHWSQVHYCNU-GOSISDBHSA-N 462.620 1.015 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689978358 UBBFJSNSYMGTNX-GOSISDBHSA-N 480.550 1.609 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCOc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1689988471 PREYXKSUBLQXBA-RBUKOAKNSA-N 471.583 1.552 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689997079 VPFLJKLOWKHIAB-FCGDIQPGSA-N 463.604 1.231 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1689998114 BUMPDOMFFRQOMM-OKYOBFRVSA-N 452.577 1.055 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1690146150 HAXAXUIRYJRJKU-CYFREDJKSA-N 455.559 1.865 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC(=O)N(C)CC)CC1 1690152587 QHNMUWUIQLCYPZ-UHFFFAOYSA-N 452.559 1.610 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O 1690722817 WPRHGGUCUZZMPV-MRXNPFEDSA-N 479.628 1.907 30 10 JDEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1 1690729863 UJCJLZALJXQTIN-INIZCTEOSA-N 492.627 1.394 30 10 JDEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1690729864 UJCJLZALJXQTIN-MRXNPFEDSA-N 492.627 1.394 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)cs2)CC1 1690730144 XZLOSIXAUMOTOC-UHFFFAOYSA-N 479.632 1.093 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@H]1CC 1690731154 BBJBVFIITLOBOO-SJORKVTESA-N 496.634 1.666 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC2(N(C)C)CCOCC2)c1 1705504050 LOGIUZMTCWFGEK-UHFFFAOYSA-N 481.601 1.583 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1705558548 ARVCAYYEZJQZQX-ROUUACIJSA-N 451.593 1.392 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705563251 TZBGDKVFZIHLQK-HKARXFIJSA-N 490.582 1.129 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(OCCOC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1705566599 OQMFPPWKOMKNNG-UXHICEINSA-N 496.630 1.011 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705569722 JRBJAAQAHRBKDQ-NRFANRHFSA-N 484.626 1.730 30 10 JDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1705660262 QTLPUXKEWTUIIU-IBGZPJMESA-N 454.600 1.964 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNS(=O)(=O)CC 1705674789 QZBCFORMJMSMDE-HSZRJFAPSA-N 486.646 1.774 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1705747767 UPVZYIMZSFCFMW-QLFBSQMISA-N 463.004 1.008 30 10 JDEE C=CCCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705823703 SQAXEUFJGGZAAM-UHFFFAOYSA-N 498.584 1.339 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(NS(=O)(=O)CC)CC1 1705898862 ABUHWSNQKUCUHQ-UHFFFAOYSA-N 483.598 1.704 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705900936 UUVJPNIOPWBNGF-SFHVURJKSA-N 455.544 1.056 30 10 JDEE Cc1noc(C)c1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1707931813 CDEQCUIXPLTJHC-GUYCJALGSA-N 451.553 1.054 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CCN2CCN(C)C(C)(C)C2)c1 1722307866 XOXHFUFWAZZBJO-UHFFFAOYSA-N 467.618 1.897 30 10 JDEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1722369619 CIWCGZGTHXCRMY-GOSISDBHSA-N 471.612 1.797 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CCNS(C)(=O)=O 1722393261 XPLPSKUJCQTASK-UHFFFAOYSA-N 468.352 1.859 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](OC)C2CC2)CC1 1722444371 YJGPSTUZBBHADF-NRFANRHFSA-N 485.610 1.739 30 10 JDEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722458790 TWJOEPLZJGUXIQ-UHFFFAOYSA-N 463.633 1.465 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1722459133 CUIVALDSQDQDIA-KRWDZBQOSA-N 490.611 1.781 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)NCC)CC1 1722491222 ITLUKHFXDBJOQJ-NQIIRXRSSA-N 482.589 1.165 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC(N)=O 1722505255 JNYUBKPRGXNDKU-QYWGDWMGSA-N 465.558 1.873 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(c2ncccc2F)CC1 1722523551 YSBGKUFDNJJIHZ-GOSISDBHSA-N 479.582 1.438 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1722577673 NIGPVKNIYOGWHA-SFHVURJKSA-N 458.588 1.930 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@H]2CO)CC1 1722582184 MHMSOBUQTOUJQX-UXHICEINSA-N 451.637 1.820 30 10 JDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1722628710 ZDTMKURDTPAYGC-QGZVFWFLSA-N 451.593 1.760 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)Nc1ccc(F)cc1 1722672805 YXEYWTQGEBALSY-GOSISDBHSA-N 478.550 1.567 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CC(=O)N1CCOCC1 1722695646 LCCHDSYYFLHVPA-UHFFFAOYSA-N 495.353 1.444 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1722696767 AYHJSDDISXBSIT-INIZCTEOSA-N 451.487 1.108 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1722701217 JLKRZKKXQCGAGH-LJQANCHMSA-N 452.559 1.575 30 10 JDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1740570181 BWBBDDXWNCGRLK-SFHVURJKSA-N 478.578 1.622 30 10 JDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1740599483 BNHNSEBJJMYGGG-FXAWDEMLSA-N 460.604 1.803 30 10 JDEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCCn1cc(CO)nn1 1740602056 DISNUEPUYPWHSM-UHFFFAOYSA-N 460.336 1.960 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1cccc(F)c1 1740610179 UDZHVKPLNAWREF-MAUKXSAKSA-N 451.524 1.287 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740620017 BNKBNPXJXYGNDC-INIZCTEOSA-N 489.602 1.665 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNS(C)(=O)=O 1740656667 QLXWEPSBXVBQKW-GOSISDBHSA-N 478.619 1.405 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)C(C)(C)C)CC1 1740704346 OMBCYVBKZAAQPW-UHFFFAOYSA-N 482.610 1.996 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCOC[C@H]2CCOC2)CC1 1740704622 QCWIPYXJSALHIP-LJQANCHMSA-N 452.559 1.749 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1740717302 OLFGATKTJXWDFD-VQIMIIECSA-N 452.606 1.107 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(OC)C2CC2)CC1 1740839934 QPNSDBFFZCGNHW-GHTZIAJQSA-N 453.609 1.829 30 10 JDEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740851689 ANWNCRABCPIMKF-SFHVURJKSA-N 452.559 1.915 30 10 JDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1740879933 UTTDNNOKSWUDKQ-NHCUHLMSSA-N 471.650 1.993 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCOC1 1740969902 XLIMXXJXVGEWRS-WIYYLYMNSA-N 491.614 1.697 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1741001578 XZQJRXGZSLNIRU-KRWDZBQOSA-N 471.587 1.690 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)N(C)C)c1 1748689538 CSZAJPXUNACRLA-KRWDZBQOSA-N 460.542 1.932 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1748802863 SLQGIXBKUWHOHP-YSIASYRMSA-N 477.631 1.804 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748812373 UPPJZJACPQJXTJ-FPOVZHCZSA-N 483.573 1.804 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1748819644 QYWJKESDVGZYDL-MOPGFXCFSA-N 456.572 1.568 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@@H](C)N1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1748824965 UXHIOBCBZPHSOF-QUCCMNQESA-N 457.600 1.893 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OCC)c1ccccc1 1748892847 XISVVVYBGAQIHH-FCHUYYIVSA-N 485.610 1.852 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(N)=O)c1 1748965790 WFYILWYWLWNQQK-FQEVSTJZSA-N 498.584 1.820 30 10 JDEE C#CCN1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CCNS(C)(=O)=O)CC1 1748978819 PLBUZIPOGXQHEM-UHFFFAOYSA-N 485.639 1.681 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(OC)C2CC2)CC1 1749019669 CWBNLSFRWMMBBV-VAXXYWNWSA-N 459.591 1.783 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1749127806 PMVQXYKQGKUAGS-YLJYHZDGSA-N 477.635 1.910 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749630122 OSDHFMMSOJPPDI-QGZVFWFLSA-N 484.623 1.633 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)=C(Br)C1 1749650749 GROVNITWBSJIHU-GFCCVEGCSA-N 461.386 1.070 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1749735738 VTBLMTIKFUJVCJ-LJQANCHMSA-N 491.589 1.874 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2CC(=O)NCC(F)F)cc1 1750382435 GQMYQEGRAFNRKH-KRWDZBQOSA-N 459.501 1.357 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnnn1CC1CC1 1760102938 VIBRDFPIBGXDFR-OAHLLOKOSA-N 469.575 1.098 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)Br 1760116394 GZOANGKCSLEVIS-GHMZBOCLSA-N 456.313 1.057 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1760181450 VUDYHOHTKGAYPX-CVCYQNGTSA-N 486.623 1.731 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1760184893 YVRZVPCXVOJXEX-CVDCTZTESA-N 455.584 1.613 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCSc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1760186563 DLDMCJWJWNWIBD-HKUYNNGSSA-N 473.624 1.957 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C[S@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1760187755 FWMRBSRTKVTXPG-KKIUXKEOSA-N 471.608 1.827 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760189647 KLOXHTMLHLWVOJ-DNVCBOLYSA-N 462.645 1.743 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc2c(c1)OCO2 1760205398 AKRCQYDVKGSYOT-NRFANRHFSA-N 499.593 1.390 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(OC)c(O)c2)CC1 1760255851 AZFOXGKLHHUYKA-XMMPIXPASA-N 455.559 1.836 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCCCS2(=O)=O)CC1 1760263768 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C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1301483140 IDEWURRPJMSBBE-FQEVSTJZSA-N 459.348 1.726 30 10 JDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1315733625 BMHJXFWODUVIIQ-ZIFCJYIRSA-N 461.544 1.129 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC(=O)NCC2CC2)c1 1358902256 ISJKQNYUOMAJJU-IBGZPJMESA-N 450.543 1.755 30 10 JDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1358954967 BLCKHUTVDLZTFB-GOSISDBHSA-N 494.017 1.913 30 10 JDEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1358958590 QYWCFSGQMSDFBR-KRWDZBQOSA-N 455.540 1.843 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1358960112 XKJFIIHUTTXXHA-AZUAARDMSA-N 492.623 1.548 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(C(=O)NCC)cc1)[C@@H]1CCS(=O)(=O)C1 1358961247 VEULUMAFFOZZQR-HXUWFJFHSA-N 480.594 1.708 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NC1CCCCC1 1358976948 YAPROLHWJAAOJO-UHFFFAOYSA-N 457.538 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451.575 1.890 30 10 JDEE CCOC(=O)N[C@H](CC(C)C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1516060505 FRYXTCJEWAIOFJ-JXXFODFXSA-N 470.571 1.783 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)CCC(C)C)CCO1 1517543818 HUWIWKLIDSDXJT-YKSBVNFPSA-N 470.574 1.867 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1539203568 SDUGIYKXDNAHGT-HZPDHXFCSA-N 473.546 1.247 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1539231211 UAGUMAZACIRVSG-FQEVSTJZSA-N 461.636 1.497 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC2CCCC2)CC1 1539452293 OCZSPFONBSTDBM-FQEVSTJZSA-N 464.636 1.337 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCCN2CCC(O)CC2)CC1 1539483014 QXLFFMHPOKTTMB-UHFFFAOYSA-N 482.604 1.821 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1539890837 UERIUGYGQABDPZ-TZIWHRDSSA-N 464.680 1.856 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccco2)C1 1540038330 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C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1689982343 KXJYELJEZKZADI-IBGZPJMESA-N 465.539 1.768 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(C(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1689988676 UHBZDJQJDXFDEL-LJQANCHMSA-N 464.551 1.422 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-n2ccnc2)c(F)c1 1690019218 DDHKDSMZJOUGHV-NRFANRHFSA-N 497.556 1.057 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCCC2=O)c1 1690047185 MBUWLSJCMPAEJQ-HXUWFJFHSA-N 465.579 1.818 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCN2CCN(CC)CC2)CC1 1690117658 QMJHJOIUFHIPMM-UHFFFAOYSA-N 481.645 1.745 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(=O)C2CC2)CC1 1690155199 HROYZNDWXAZLIQ-UHFFFAOYSA-N 453.572 1.741 30 10 JDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1690188616 MKYOBDUVIZUIOD-WOJBJXKFSA-N 454.600 1.845 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C[C@H]1CCOC1)C1CC1 1690236919 TXWVQBZANOWBLD-MTNOOBJLSA-N 453.609 1.875 30 10 JDEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1690289749 PXMDYKVSOYWGDC-UHFFFAOYSA-N 452.559 1.261 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1690312734 BJEFLNIELNNJAX-ZWKOTPCHSA-N 453.609 1.516 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)[C@H]2CC)cc1 1690680228 MPKBHXFXQNYMKP-PKOBYXMFSA-N 459.572 1.508 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1690722612 PKWBPHUGSAABGM-SFHVURJKSA-N 457.560 1.351 30 10 JDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@@]2(CCCOC2)O1 1693827669 BPHHAXTYMOHZOS-UZUQRXQVSA-N 454.531 1.591 30 10 JDEE CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CC(=O)N(CCOC)C2)c2ccccc2c1=O 1695900361 GFNDAEOZXRNFKT-MSOLQXFVSA-N 492.584 1.766 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2OCCC2(C)C)c1 1705503834 GDAXKCLBPFYDNL-APWZRJJASA-N 488.614 1.760 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1705563030 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C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCCCC2=O)CC1 1722432354 WGVCQTSHQBGHGF-UHFFFAOYSA-N 464.574 1.473 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(F)ccc2SC)CC1 1722436871 GOTCTHRYPJASFW-INIZCTEOSA-N 463.604 1.845 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1722439990 XTQCFZRIWBRENZ-JOCHJYFZSA-N 450.635 1.293 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C(=O)NCC)cc2)CC1 1722441494 RRYHUMLTKGEQRV-VXKWHMMOSA-N 466.586 1.555 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722461144 DIFADFJDUXCIEA-UHFFFAOYSA-N 479.614 1.327 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1S(=O)(=O)N(C)C 1722466924 ILTKVAAJJDMOPT-IIBYNOLFSA-N 494.643 1.179 30 10 JDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1722581860 ZJAGTDHMQAMWOU-UHFFFAOYSA-N 479.607 1.659 30 10 JDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC[C@@H]1NC(=O)NC1=O)C1CC1 1722645716 XFIZANRDTVUCFT-KRWDZBQOSA-N 458.544 1.492 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722727459 ISJWHOGUYLOIDK-OXJNMPFZSA-N 475.571 1.448 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1722729453 KXRBRBPQRCGSAY-NQIIRXRSSA-N 477.606 1.766 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ncnn2CC(F)F)CC1 1722794978 AOMQYEKNVVGSRP-UHFFFAOYSA-N 498.542 1.474 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccccc1Cl 1740553357 RELRKPPZKVYGAD-RRMPHLOHSA-N 482.006 1.630 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(F)c1 1740553689 UBSHWWMIWJWNDY-KSSFIOAISA-N 451.524 1.265 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@]2(O)CCO[C@@H]2C)c1 1740561852 DBIGMLLAVFITOB-ROMRWMGNSA-N 453.543 1.768 30 10 JDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740589350 WJSWLTXKZSNTED-QGZVFWFLSA-N 483.598 1.606 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1CCCCN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1740622981 MENLPDZVLXRYBK-JOCHJYFZSA-N 476.691 1.980 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1740751349 JCJLDEWDJBPNFV-SXLOBPIMSA-N 496.678 1.953 30 10 JDEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(C(N)=O)C1)c1ccccc1 1740854751 SDNJJGDWXUOJSS-CDMIOBSGSA-N 460.604 1.950 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740952351 ARFMUHVTKPSLMI-RTBURBONSA-N 495.584 1.810 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCC(=O)N2CCOCC2)c1 1748692717 MFOGGLMGGZPBFN-UHFFFAOYSA-N 474.525 1.040 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CCCCN1CCC[C@H]1CO)[C@H]1CCS(=O)(=O)C1 1748802741 SBWHVHNFFCFTRX-OALUTQOASA-N 451.637 1.439 30 10 JDEE C#CCN(c1nnc(C)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)[C@H]1CCS(=O)(=O)C1 1748805543 UJMCEEZIPHGKER-PMACEKPBSA-N 457.556 1.379 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1748808952 JGQCWQWFQYDQFE-MRXNPFEDSA-N 459.547 1.757 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccnc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748817430 KRGBQNZXIGWMQN-FQEVSTJZSA-N 486.642 1.773 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1748819416 OJVKUTMKAXGVCZ-FQEVSTJZSA-N 451.552 1.948 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1748902250 DMQNGFASMSVZMY-FCQUAONHSA-N 462.485 1.986 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC(=O)NCC(F)F)CC1 1748983644 WZTDSFCOMYWOMM-UHFFFAOYSA-N 485.308 1.983 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCC(F)(F)C(F)F)CC1 1749009850 LZVVDPDDXJLWNW-CQSZACIVSA-N 474.459 1.112 30 10 JDEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1749287925 GRQVTRYVGAEHRE-SFHVURJKSA-N 470.393 1.752 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(=O)N(C)CC)C1 1749695763 IWZDRZRPEAVQNR-GOSISDBHSA-N 476.603 1.455 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1749739459 BUSKXBIVLAIBLG-QIDMFYOTSA-N 471.583 1.927 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCn1cc(CO)nn1 1760127263 UTMNZVZLJBBVLV-ZACQAIPSSA-N 458.567 1.681 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccccc1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760182707 LICHNVFVDPGDEH-YADHBBJMSA-N 498.653 1.880 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1760182713 LJPACHWDOVGFFT-WCIQWLHISA-N 497.687 1.623 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(COC)c1)[C@@H]1CCS(=O)(=O)C1 1760188107 HUEYDNYUYWWJRU-HXUWFJFHSA-N 454.556 1.500 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1760189342 HYYWGBSBJSADAG-INIZCTEOSA-N 468.626 1.134 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760194972 UFRPYFBCAUYGNI-ROUUACIJSA-N 459.547 1.912 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760220566 OHZFKIPWDVTDTR-IBGZPJMESA-N 455.584 1.622 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCNS(C)(=O)=O)CC1 1760256456 HFSBLPPKHZVSQV-KRWDZBQOSA-N 464.567 1.252 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2cccc(F)c2)CC1 1760265021 LGMXKGICLWWSFF-UHFFFAOYSA-N 452.534 1.862 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760518610 XVMMCLKLLLRXLX-UHFFFAOYSA-N 480.960 1.721 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1760550866 LVJXQKQXTWPGSG-CQSZACIVSA-N 469.514 1.814 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1760553557 FJOOOFZTOPNWGL-KRWDZBQOSA-N 496.634 1.571 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1760556141 VUOFDLDFUHNCFF-OAHLLOKOSA-N 479.525 1.278 30 10 JDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(C(N)=O)CCOCC1 1761036437 AUJKWYSGKXYVTD-QGZVFWFLSA-N 467.578 1.135 30 10 JDEE CC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 1869930064 SFWUSBATPBJVPQ-GOSISDBHSA-N 470.551 1.577 30 10 JDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCc2ccc(OC)cc2)cn1CCO 1870644112 PYUFSTUDQPRZQH-UHFFFAOYSA-N 455.555 1.761 30 10 JDEE CC[C@H](CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255796200 NCTWYHZOSGLZCI-CYBMUJFWSA-N 458.390 1.301 30 10 JDEE C=C(CS(=O)(=O)N[C@@]12CO[C@@H](C1)[C@H](NC(=O)OC(C)(C)C)C2)B1OC(C)(C)C(C)(C)O1 2255953873 PLXNHHGJWWAYME-QEEYODRMSA-N 458.386 1.918 30 10 JDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)c1 2267012472 UYHWXSJSWQKWKK-CQSZACIVSA-N 450.341 1.610 30 10 JDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267366189 CCNHITIAEJGXET-HIFRSBDPSA-N 470.401 1.253 30 10 JDEE C[C@H]1CN(Cc2ccccc2)C[C@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267716266 KJMNGORZYMCVCP-QFBILLFUSA-N 460.409 1.518 30 10 JDEE CCOC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2269029783 CKYJFTAVIQJERB-UHFFFAOYSA-N 463.365 1.473 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2282323874 HZJGRAVOYVRULJ-UONOGXRCSA-N 485.416 1.086 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@]12CC[C@@H]1CN(C(=O)OC(C)(C)C)C2 2282328984 GHXLBRMEPICRBW-SZNDQCEHSA-N 482.412 1.397 30 10 JDEE C[C@@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282341412 RTABORBGQLHROK-AWEZNQCLSA-N 484.428 1.595 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282842944 FXEWXDMLOPKDMM-ROUUACIJSA-N 482.408 1.697 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)C1CS(=O)(=O)C1 2284035075 GPUMPFJZGRLAPJ-MRXNPFEDSA-N 481.380 1.257 30 10 JDEE C[C@H](NC(=O)[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284130406 OTALLWFMNZMAKM-YVVXQTMVSA-N 482.408 1.566 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2359273777 YEZRCRHHDSVJCW-RBSFLKMASA-N 482.412 1.396 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 30495319 ABEXADHNYDCSRE-UHFFFAOYSA-N 474.564 1.380 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)CC1 32826515 IRQDTRXVTQOKIN-UHFFFAOYSA-N 498.605 1.428 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCc2ccc3c(c2)OCCO3)CC1 503701010 ZCYWRZXXQLXAGQ-UHFFFAOYSA-N 456.524 1.588 30 10 JDEE C#CCN1CCC[C@H](NC(=O)c2ccccc2NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)C1 1154959276 QGYKPYHFPITQLD-HNNXBMFYSA-N 453.524 1.897 30 10 JDEE N#Cc1ccncc1N1CCN(C(=O)NCc2cccc(OCCN3CCOCC3)c2)CC1 1224989562 CBPXWXNGIPDACE-UHFFFAOYSA-N 450.543 1.696 30 10 JDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286383961 FRWNEEDKUHXATK-VXKWHMMOSA-N 499.637 1.696 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCN1CCN(C)C(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1286391343 CPVJCOVBEZOHOM-QHCPKHFHSA-N 498.697 1.830 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC 1286431811 SBBUMALSNRXKSK-OAQYLSRUSA-N 471.583 1.521 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1286442968 SXDKBOBRNHOOND-UHFFFAOYSA-N 454.556 1.712 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c(CC)nn(C)c2CC)CC1 1286485433 LPSMMBSMWSNYFP-UHFFFAOYSA-N 480.617 1.387 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCN2CCOC[C@H]2C)CC1 1286493953 YDXYMBCXQLSEOS-OAQYLSRUSA-N 480.613 1.852 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286509276 XWOGOGQVPJRAFF-UHFFFAOYSA-N 468.649 1.017 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(=O)N(CC)CC 1286522575 LQCYDVWGNBBKID-XMSQKQJNSA-N 480.635 1.252 30 10 JDEE C=C(Br)Cn1c(COCC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1286546505 BASZPIDCOPCLIG-UHFFFAOYSA-N 483.411 1.664 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C(C)C)CC1 1286553017 CDPSQGVSJZPZRU-ZCNNSNEGSA-N 479.647 1.856 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2nc(C)no2)CC1 1286646543 SSWITNDHBBVOTR-MRXNPFEDSA-N 451.553 1.092 30 10 JDEE C=CCn1c(Cc2cccnc2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1286775922 YMFJRYSFXQXBMY-FGTMMUONSA-N 474.587 1.576 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1286778978 CGLPTEGMCQKXAP-CQSZACIVSA-N 459.503 1.272 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1286784734 RUNAPZYKTFAIQJ-UHFFFAOYSA-N 469.571 1.267 30 10 JDEE CC(=O)N1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 1286857900 AYVXZFIVTIRDRH-AZUAARDMSA-N 456.572 1.699 30 10 JDEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1299331985 BEBVTGMJDJPJDD-RBUKOAKNSA-N 472.571 1.630 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)Cc2ccccc2C1 1300307278 DDTXSOFHHPDMJM-WIYYLYMNSA-N 486.642 1.168 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1300410260 MIJXMIJDFJNJFX-QHAWAJNXSA-N 490.674 1.220 30 10 JDEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)NC)CC1 1300419055 GGLLCXPDMKNZDO-UHFFFAOYSA-N 464.618 1.518 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1300579429 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CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H](S(=O)(=O)N(C)CCOC)C2)c1 1677671144 HSFUDSKCUBAFCC-ICSRJNTNSA-N 452.577 1.950 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2CCC(=O)NC)c1 1689870224 GNUXFOAICDFLEJ-UHFFFAOYSA-N 463.498 1.198 30 10 JDEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1689901117 BTIFIGTXTGMRCI-UHFFFAOYSA-N 464.570 1.896 30 10 JDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CC1(O)CCS(=O)(=O)CC1 1690025191 IEXBETSURIPXOD-UHFFFAOYSA-N 451.552 1.294 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)c1ccccc1 1690046485 CATMIVHLGPMJHK-OAQYLSRUSA-N 470.599 1.210 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCOC)cc1 1690046533 DBPVNDOKHNBAHW-HXUWFJFHSA-N 456.568 1.717 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1690229171 POFDVHHKUMTOSW-LSDHHAIUSA-N 474.425 1.830 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1690236183 JKMUHEZVQSWNAH-BEFAXECRSA-N 451.531 1.932 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690432455 DPNRNSICFOFZFN-UZLBHIALSA-N 456.634 1.798 30 10 JDEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690502944 KXUHCXPRLZTHMU-UHFFFAOYSA-N 477.569 1.680 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1705558760 HGHXRGKYGMEHSD-UWJYYQICSA-N 453.609 1.230 30 10 JDEE C#CCN(c1nnc([C@@H](C)CC)n1C[C@H]1CCCN1c1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1705560515 LEXQQXYKCUTQEA-IPMKNSEASA-N 459.620 1.821 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1NC(=O)CC1(C)C 1705582825 KHZOUDGCDFYQRB-ROUUACIJSA-N 470.574 1.574 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1705590484 MPIJDDDNGCQACE-XMMPIXPASA-N 473.574 1.687 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)N(C)C 1705613305 YBNBZNVXCVSNGC-VQTJNVASSA-N 460.604 1.373 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2c(CC)nn(C)c2OC)CC1 1705650879 BIKPLVSEDXEDSL-UHFFFAOYSA-N 493.616 1.458 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C2CC2)CC1 1705661742 ILEFWBNUYSYBLD-INIZCTEOSA-N 451.618 1.042 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccnc(C)n2)CC1 1705786568 RPEYYSKHDYPKIV-MRXNPFEDSA-N 462.624 1.916 30 10 JDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1705831166 IKXJCPSGKFADRG-NFBKMPQASA-N 467.618 1.845 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCOC1 1705900436 DGLUSLRDZDEVPM-MRXNPFEDSA-N 451.531 1.763 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(C(=O)N(C)C(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705908721 UTJAIPFEWMFPHO-DEOSSOPVSA-N 476.622 1.704 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)NC(C)C)C1 1705925036 JVTGECSXSWHDFX-QZTJIDSGSA-N 478.594 1.892 30 10 JDEE C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N)Oc1cccc(F)c1 1706798580 FQWKFEKOAOZBFE-MDZRGWNJSA-N 480.566 1.956 30 10 JDEE Cc1cnn(C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCNC(=O)C(C)C)CCO2)c1 1707703791 GQMAJBPGPAPYHX-OAQYLSRUSA-N 462.558 1.999 30 10 JDEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1)S(C)(=O)=O 1710140669 HNCNSSRLRBWGCH-SFHVURJKSA-N 480.616 1.112 30 10 JDEE CS(=O)(=O)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1712696758 BUWWQAGPBYMQNK-RBUKOAKNSA-N 493.611 1.064 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 1722359604 UZEPSMSBHUXXBV-GOSISDBHSA-N 487.582 1.253 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(N(C)C)CCSC1 1722375916 UVBLGAXTRBDRGY-JOCHJYFZSA-N 457.625 1.859 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1C 1722396844 LLRJVOIOJNHQLJ-OAQYLSRUSA-N 455.584 1.739 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)CC 1722399320 AYHSWCLFLHGBRL-UHFFFAOYSA-N 455.588 1.350 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN2CCCC2)CC1 1722444336 XIZFLNGWNWDMOW-VWLOTQADSA-N 472.634 1.770 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C(N)=O)cc2)CC1 1722447198 GKRRZQFOJQHVLE-FQEVSTJZSA-N 450.543 1.633 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C(C)C)N2CCCC2)CC1 1722448376 SSEFLFWIYYFXHD-WOJBJXKFSA-N 455.607 1.315 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCOc2ncccc2F)CC1 1722449756 YOOXAIOPFVNEPV-UHFFFAOYSA-N 463.517 1.843 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCNS(C)(=O)=O)CC1 1722451071 XPHIBQVODLTMFK-RTBURBONSA-N 494.662 1.102 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncnn1CC(F)F 1722510523 VGRHARXDRGENQP-DAYGRLMNSA-N 485.561 1.654 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1722700701 QXFSMLWNNDSJAU-SFHVURJKSA-N 452.559 1.675 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722736752 GYKJEARTMAVUCJ-UHFFFAOYSA-N 456.638 1.199 30 10 JDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740589066 NXAFAOSEBOUQPE-GOSISDBHSA-N 497.625 1.854 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@](C)(O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1740615591 HPLRMGDPWQCVON-OPAMFIHVSA-N 494.017 1.604 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC1(C(N)=O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740620518 WYRFARTWOCKYOR-GOSISDBHSA-N 492.001 1.507 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1740621366 WETOADHMHVHPCM-GOSISDBHSA-N 484.582 1.876 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc([C@@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1740621917 QFGZJCSINMYATQ-OXQOHEQNSA-N 454.556 1.407 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCC(=O)N2CCCCCC2)CC1 1740704116 HWVQIDGLXIJJTA-UHFFFAOYSA-N 464.574 1.494 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCCN2CCOCC2)CC1 1740717149 KWFLXJJJBSEGDP-NRFANRHFSA-N 495.715 1.875 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1740955600 ZHBQMDCJUVSHIO-UHFFFAOYSA-N 488.552 1.858 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740956813 QVRQQJDDGUEANR-AWEZNQCLSA-N 492.353 1.705 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCc2ccccc2)CC1 1740991062 NHCQMECYDAOSSN-FQEVSTJZSA-N 472.615 1.195 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCc2ccccc2C1 1741131179 DNJAOFVDTQXLAD-GHTZIAJQSA-N 487.630 1.265 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)CC2CC2)C1 1741982891 BMCJXMHUXMIOTI-VQIMIIECSA-N 455.606 1.135 30 10 JDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](C)CN1CCOCC1 1747187750 DFCKOQNNJDNTTJ-LJQANCHMSA-N 454.579 1.376 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@@H]1C 1748673153 CIINDGHWGBLCBH-GBESFXJTSA-N 462.595 1.765 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1748809336 SESNPMBMROGLQB-KKSFZXQISA-N 482.509 1.325 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1748812612 YCDWRCCQAYCGFA-RTWAWAEBSA-N 472.615 1.324 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1748818777 GDMAGPUGEDTGLM-KNQAVFIVSA-N 460.625 1.672 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1SC 1748859353 SFPKJZBMGBNWLC-GOSISDBHSA-N 477.587 1.593 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2[nH]c(C)cc2c1 1748860178 XKKAEIWFIPDAIQ-NRFANRHFSA-N 466.567 1.522 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1748962885 TVCZSBAEDLYYTF-FQEVSTJZSA-N 483.598 1.512 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCC[C@@H]2C)CC1 1749003561 MZARPCIUKWWXIC-NBGIEHNGSA-N 472.634 1.769 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1749010077 ZYTPLJQLTJDCAQ-OAQYLSRUSA-N 478.645 1.640 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H](C2CCC2)C1 1749038623 VDEZYSKGMFGSOW-RTBURBONSA-N 483.660 1.230 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCS(=O)(=O)C1 1749056649 OAMJBGVQWQRJAC-IIBYNOLFSA-N 462.597 1.775 30 10 JDEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)c1ccccc1 1749383191 SJFWKZOEUKACHT-DFQSSKMNSA-N 487.630 1.804 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1cc[nH]n1 1749531910 PZYRBGXCZOMOES-UHFFFAOYSA-N 456.514 1.896 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccncc1Cl 1749599889 NNTCWQLUGBCWGV-QGZVFWFLSA-N 470.983 1.347 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1749630709 ZROCQMXHYQRSME-PMACEKPBSA-N 460.604 1.508 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1749630712 ZROCQMXHYQRSME-WOJBJXKFSA-N 460.604 1.508 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(N)=O)CC1 1749724178 HOVACOTXZPXPFM-UHFFFAOYSA-N 471.381 1.338 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1749741342 YNCKUTXHVKEQTQ-UHFFFAOYSA-N 470.665 1.684 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1760154182 BEBFPUNZVHXYIE-OALUTQOASA-N 461.592 1.371 30 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483.660 1.301 30 10 JDEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@@H]1CC 1760357124 FATVZOMBDQRUOO-ROUUACIJSA-N 478.594 1.894 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1760517191 GAXPXZPVFLZLHX-UHFFFAOYSA-N 494.600 1.710 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1760522543 WDSKJEOKLFNPOA-YCRPNKLZSA-N 463.514 1.331 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760526003 ABUFZBFAQALQHI-IBGZPJMESA-N 481.557 1.249 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1760556016 SHPQQBPERWZSER-UHFFFAOYSA-N 492.690 1.963 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CCCCC1)N(C)C 1761362524 CVDHWFLUMMXBKV-YZGWKJHDSA-N 481.667 1.860 30 10 JDEE CCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1767057431 CMNGKODJLPUZRE-HXUWFJFHSA-N 465.606 1.884 30 10 JDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 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1.552 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1710314226 CTLYLHJNQOOJTK-LJQANCHMSA-N 494.600 1.931 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)CC1 1710990343 DSELWSUEPAOJEX-NRFANRHFSA-N 467.574 1.508 30 10 JDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1722341292 CMRCJJCDANGRDZ-REWPJTCUSA-N 472.634 1.986 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cn(CCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1722360221 FIXVCSPYPCYFGV-HXUWFJFHSA-N 470.603 1.659 30 10 JDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1722363259 DWXQZOGSXGYQFN-RTWAWAEBSA-N 457.600 1.973 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCC(=O)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 1722365230 MBYSKGBRFVFIEE-NRFANRHFSA-N 478.578 1.919 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1722431766 NSTLBVGZEAHSGH-GBESFXJTSA-N 452.625 1.095 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC(=O)NCc2ccco2)CC1 1722441292 KDNLWELPQCIEEW-UHFFFAOYSA-N 464.526 1.530 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC)nc2OC)CC1 1722449349 IMCPIRZETLQJNK-UHFFFAOYSA-N 492.584 1.566 30 10 JDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1722458666 PZLZZYIOANQBDA-UHFFFAOYSA-N 487.630 1.363 30 10 JDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1722459173 DXZLHSMISOJHBD-GOSISDBHSA-N 457.604 1.528 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1722462864 STPPOMLPHYRAIX-QGZVFWFLSA-N 472.619 1.596 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1722692265 YFRAEIYFFXAKIS-KRWDZBQOSA-N 493.568 1.775 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NCC)CC1 1722703509 ATXGBYDUFBGIMJ-KRWDZBQOSA-N 490.609 1.504 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722726008 WVMCZHDVMLLABW-INIZCTEOSA-N 467.979 1.541 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)c(OC)c1 1740550558 IXINBVCONURHNG-YLJYHZDGSA-N 461.588 1.629 30 10 JDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCCCS1(=O)=O 1740612500 BAFHCSOXWPFCFB-JOCHJYFZSA-N 470.643 1.680 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740620056 SYVDQMLMVXUHPB-WEMPKCCASA-N 450.605 1.993 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOc1ccc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1740627396 PYNQRVVPIACBCL-FUHWJXTLSA-N 479.990 1.926 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(O)CCN(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1740627898 TYGKDCGNWCSBRC-PMACEKPBSA-N 479.647 1.382 30 10 JDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(S(N)(=O)=O)cc1 1740660202 KDHVRSZMOPTGQV-UHFFFAOYSA-N 453.528 1.275 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1740696961 MKLHSINYYAYSJJ-HSZRJFAPSA-N 481.620 1.706 30 10 JDEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1740912556 JCSDOEYANBFQNF-OAHLLOKOSA-N 464.617 1.706 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](CN3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740964363 BFDJLCLAFKHDQT-GBXCKJPGSA-N 476.622 1.170 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1740965731 LNNQPGJKUNWWTB-QWFCFKBJSA-N 457.579 1.810 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1740990330 QZRBAAPDCDJZJR-UHFFFAOYSA-N 487.630 1.955 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1748732146 UGZAHQXBTFISNL-CYBMUJFWSA-N 466.593 1.008 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748802683 QYISKWNPJGEZAN-VAMGGRTRSA-N 478.663 1.411 30 10 JDEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1748808673 FUWNZBNWDZNGHY-GOSISDBHSA-N 466.567 1.645 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1748809333 SESNPMBMROGLQB-HRAATJIYSA-N 482.509 1.325 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1748824542 QCHBSELEQDGZJA-VAMGGRTRSA-N 481.663 1.402 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(F)ccc2F)CC1 1749004366 HGLDDBKJENKTTP-AWEZNQCLSA-N 480.541 1.181 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1749023268 QONADCIZSSBWDQ-HOTGVXAUSA-N 470.665 1.386 30 10 JDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCn2c(nc3c2CCCC3)C1 1749087623 XLNDRZJFGCUXBJ-CYBMUJFWSA-N 484.424 1.892 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1749229297 IYPJMKUYNNRTRT-NHCUHLMSSA-N 454.575 1.723 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCCOC2)C1 1749403047 VNCPYMMDKQJESS-NQIIRXRSSA-N 453.609 1.974 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1749650134 KXUKNIYWVWWXQN-UHFFFAOYSA-N 450.503 1.102 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1749658048 KTNSCOAJERDIIR-AEFFLSMTSA-N 459.982 1.843 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749658752 NXNXASPHFCBZOU-HXUWFJFHSA-N 459.348 1.869 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCN1CCOCC1 1749669093 BUVAXQZFFYQBBT-IBGZPJMESA-N 491.637 1.463 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1749671601 FLZIJSLFJYDVQR-PGRDOPGGSA-N 483.592 1.299 30 10 JDEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749739447 BRALKVTXZWVBEG-QGZVFWFLSA-N 476.628 1.693 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2([S@@](C)=O)CC2)c1 1760128703 PUIGYBLXPZKMAO-UJQZNKFNSA-N 454.556 1.197 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760147244 LLQCBYDUOGUZCL-SFHVURJKSA-N 450.586 1.775 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CCNc1nccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1760182325 IKTPDHMYEUQSHH-CQSZACIVSA-N 471.509 1.949 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1OCC[C@H]1C 1760244757 GFQLSTIHVGBZQK-YLJYHZDGSA-N 461.588 1.706 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760248744 DFXVGMUQGFRNOR-SFHVURJKSA-N 458.563 1.513 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2OC)CC1 1760264998 KHQFZGZPHQCRKW-UHFFFAOYSA-N 473.537 1.948 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCCN2CCOC2=O)CC1 1760271859 PAVSGRDDARFDJK-UHFFFAOYSA-N 480.569 1.686 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1760272306 FWQVDKFTKRWVGF-IBGZPJMESA-N 457.604 1.599 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1760279862 ANAKNJXRDXXBJE-MOPGFXCFSA-N 477.660 1.672 30 10 JDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1760282040 VBDTVZUZVSDUEF-FQEVSTJZSA-N 460.648 1.673 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1760346000 CCXDCXHMFJNIBI-YJBOKZPZSA-N 481.541 1.717 30 10 JDEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760347223 LJMFTIBSISNJPS-UHFFFAOYSA-N 452.559 1.575 30 10 JDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760449895 YEKITRJFYAAJRP-MRXNPFEDSA-N 472.571 1.408 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1760519141 STFLKXIVGLQPFX-HSZRJFAPSA-N 492.628 1.350 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1760557336 ICUBXCGQCKLLNP-KRWDZBQOSA-N 496.634 1.495 30 10 JDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1766686971 IDQJPRCWIPKRPO-KRWDZBQOSA-N 485.614 1.041 30 10 JDEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1767737042 HDVFYJMYRYOAOT-GOSISDBHSA-N 456.572 1.604 30 10 JDEE CSc1ccc(F)cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1770489850 CPASKCPFODDIOE-DOMZBBRYSA-N 454.553 1.526 30 10 JDEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCN(C(C)=O)CC2)=C(N)Oc2c1c(CC)nn2C 1865226236 VAVQVIJFUNBIIA-FQEVSTJZSA-N 465.554 1.933 30 10 JDEE CCCCCCCCn1cc(OCC(=O)NCCOC)c(=O)cc1CN1CCN(CCO)CC1 1870520131 WFDQLMMOZDKCAQ-UHFFFAOYSA-N 480.650 1.460 30 10 JDEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN2C[C@@H](C)O[C@H](C)C2)cc1=O 1870561264 FYUZDILBUBWLPB-QZTJIDSGSA-N 459.568 1.360 30 10 JDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874435608 OUTLHHBBXMPSFI-ZVBGSRNCSA-N 478.487 1.521 30 10 JDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(OC)c(F)c3)CC2)CC1 1889684373 NGDMPXIPRRPUHD-UHFFFAOYSA-N 453.580 1.645 30 10 JDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267002589 BYCJUVXQSSQHSU-GJZGRUSLSA-N 450.345 1.083 30 10 JDEE C[C@@H](C[S@](C)(=O)=NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267115529 JIYBUMSZJGPDEE-HHAIEFTPSA-N 471.389 1.266 30 10 JDEE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H](O)C2)oc1B1OC(C)(C)C(C)(C)O1 2267133743 GNIHEULQDPKRKG-OAHLLOKOSA-N 450.341 1.941 30 10 JDEE C=C(CS(=O)(=O)N=c1nc(CCNC(=O)OC(C)(C)C)[nH]n1C)B1OC(C)(C)C(C)(C)O1 2267462128 BHEXCVXVVJQKPH-UHFFFAOYSA-N 471.389 1.234 30 10 JDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2267471558 UQABIFCJSJAZCG-JOCHJYFZSA-N 478.445 1.963 30 10 JDEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2268654882 FPVJDYPWJNHIMG-OAHLLOKOSA-N 450.345 1.953 30 10 JDEE C[C@H]1O[C@]2(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@@]1(NC(=O)OC(C)(C)C)C2 2268709111 BHRGPGIRUKDCAO-HDZZMESHSA-N 466.369 1.413 30 10 JDEE Cn1nc(C(=O)N2CCC(CO)(NC(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2281966016 GLBOZNOOKQCQOK-UHFFFAOYSA-N 464.372 1.211 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(O)CC(NC(=O)OC(C)(C)C)C2)n1 2281996078 KWJGPCBDNDOSSN-UHFFFAOYSA-N 464.372 1.350 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CO)C1 2282174113 DIAPDWLHEQDZFJ-RDJZCZTQSA-N 463.384 1.672 30 10 JDEE CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282497359 OSHSPTFNBYGDBW-OAHLLOKOSA-N 484.428 1.739 30 10 JDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2329034999 SXWYYXZORYHGGY-ZDUSSCGKSA-N 462.488 1.764 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@@](C)(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2362450045 BFJIGPCEUAAEPD-UUBFPDNSSA-N 482.412 1.967 30 10 JDEE COC(=O)[C@@H](CCN=c1ccc(B2OC(C)(C)C(C)(C)O2)c(OC)[nH]1)NC(=O)OC(C)(C)C 2365343648 COLYIOBIBIDNSX-OAHLLOKOSA-N 465.356 1.680 30 10 JDEE C=CCn1c(=O)c(=O)n(CC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c2ccccc21 33268735 QVUVAWDTEGGTNY-UHFFFAOYSA-N 491.592 1.686 30 10 JDEE C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)NCc3ccc(OC)cc3)n2N)c1C 59829883 WDKPJSSIPZMLOH-WYMPLXKRSA-N 469.575 1.854 30 10 JDEE N#Cc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CCC(=O)N2CCOCC2)cc1 95841944 CXRDYWPFVHOUCM-UHFFFAOYSA-N 472.548 1.984 30 10 JDEE COc1ccc(N2NOC(=O)/C2=C\C(=NC(=O)c2ccccc2)C(=O)N2CCC(C(N)=O)CC2)cc1 585673942 ZWGYQSXNQYBTAV-NFXRVZNZSA-N 491.504 1.367 30 10 JDEE CCOC(=O)N1CCC(N(CC#N)S(=O)(=O)c2cc(N3CCCC3=O)ccc2OC)CC1 586152956 BLJBSPWQEWGORY-UHFFFAOYSA-N 464.544 1.957 30 10 JDEE CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c1=O 725764552 XNXONZWQDQCGGN-UHFFFAOYSA-N 464.931 1.536 30 10 JDEE Cc1nnc(CN2CCCN(C(=O)CSc3n[nH]c(NN=Cc4cnn(C(C)C)c4)n3)CC2)o1 1083895550 SWOUEULJFWXJMO-UHFFFAOYSA-N 487.594 1.546 30 10 JDEE Cc1nn(C(C)C)c(C)c1C=NNc1nnc(SCC(=O)NCc2ccc3c(c2)OCO3)n1N 1084475139 OLGTZZUYKZTWMO-UHFFFAOYSA-N 485.574 1.969 30 10 JDEE N#Cc1ccc(C2=CCN(C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)CC2)cc1 1127640151 DKAOTMUORXRZLX-UHFFFAOYSA-N 450.520 1.608 30 10 JDEE C=CCn1c(SCC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)nnc1-c1ccc(Cl)cc1 1130801942 XJRBXCFPBVDOSG-HUUCEWRRSA-N 456.977 1.805 30 10 JDEE C#CCn1cc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cn1 1156661753 HISPHJGSEMQNGE-GJZGRUSLSA-N 450.948 1.898 30 10 JDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2nc(O)[nH]c2cc1Br 1208473219 FPNJKLWOMWIKLL-SECBINFHSA-N 450.336 1.395 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1286365926 NHAXAKAGJNSELE-SFHVURJKSA-N 480.598 1.919 30 10 JDEE C#CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1286391129 CTIDSJHCSIGSSW-MSOLQXFVSA-N 497.618 1.250 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCNC(=O)c1occc1C)[C@@H]1CCS(=O)(=O)C1 1286395311 ZOOHEVCNGXAKIV-HXUWFJFHSA-N 496.593 1.612 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2(N(C)C)CCSC2)CC1 1286491363 OPXLKYUDZMMLEQ-DEOSSOPVSA-N 467.643 1.667 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccn(C)n1 1286518739 ZOHQJSORWRFGPL-JOCHJYFZSA-N 453.572 1.969 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCCN(S(C)(=O)=O)CC1 1286550125 CHIJDLPKFWQSNO-OTWHNJEPSA-N 471.624 1.455 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NC2CCCCC2)CC1 1286645887 JNEDAMFKNOAMHZ-SFHVURJKSA-N 466.608 1.216 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286672021 FGWUHAGMVVYJEB-OALUTQOASA-N 478.663 1.525 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCS(=O)(=O)C1 1286762817 NCHZBBNHJVMLQG-XMSQKQJNSA-N 459.572 1.014 30 10 JDEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)OC 1292182748 ATUNVKLUVHNQOC-FQEVSTJZSA-N 498.613 1.795 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1300485075 WOJCEQROJJHKIU-ICSRJNTNSA-N 457.600 1.922 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCOCC(F)(F)C(F)F)[C@H]1CCS(=O)(=O)C1 1300487122 GQDYFXZKHYTSEM-AWEZNQCLSA-N 477.484 1.827 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccsc1Br)[C@@H]1CCS(=O)(=O)C1 1300491887 JLUITGIIBWOPTL-KGLIPLIRSA-N 498.428 1.728 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1300502200 RKKAKFSRJGWSFI-AVRDEDQJSA-N 472.571 1.267 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1300684022 WEFWVZMQISSDRK-QFBILLFUSA-N 464.567 1.170 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1301152349 YLHZHRMPAPGQBI-AQNXPRMDSA-N 496.678 1.370 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1c(F)cccc1Cl 1301479399 ZDAJILNLFKBRKT-LBPRGKRZSA-N 458.947 1.619 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1301484648 JKVKUXMBRLNIDW-UHFFFAOYSA-N 482.545 1.883 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]2c2nncn2C)cc1 1301519795 YKCUQPZUDDJEOE-VQIMIIECSA-N 486.602 1.971 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc2ccccc2[nH]1 1301588715 INLFBZBEKFARRK-QGZVFWFLSA-N 477.612 1.899 30 10 JDEE Cc1nn(C)c(N2CCN(C(=O)NCc3cccc(NC(=O)[C@@H]4CCCO4)c3)CC2)c1C#N 1311663799 FHYWGKIQONQRCM-FQEVSTJZSA-N 451.531 1.750 30 10 JDEE CCCNC(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1313478087 ANHNHGIQOVFZEU-UHFFFAOYSA-N 464.578 1.440 30 10 JDEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)NC)CC2)CCC1 1313975483 CWWZKSSJQQJVFL-UHFFFAOYSA-N 450.547 1.585 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCN2CCCCCC2=O)cc1 1316533790 DRTKITAYAHPMAA-LJQANCHMSA-N 465.558 1.833 30 10 JDEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2cccc(C(F)(F)F)n2)CCO1 1316537582 DLLYXCGOXKTVPV-STQMWFEESA-N 451.409 1.451 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(=O)N(C)C)c1 1358994648 SSISTFCFVFOFKH-FQEVSTJZSA-N 483.594 1.158 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CC1 1359010105 GTBBPPLISIDZLY-INIZCTEOSA-N 467.592 1.623 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]1c1ccccc1 1359025506 QTLAHYOTOCNFAQ-ACRUOGEOSA-N 473.599 1.501 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCCN2CCN(CC)CC2)CC1 1359042957 APUYNMWFABDQIP-UHFFFAOYSA-N 493.656 1.947 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1359048626 XAKODZKTNMJBFH-GOSISDBHSA-N 482.676 1.614 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1359099102 JYSQSHDLLMLFCA-QYZOEREBSA-N 464.592 1.332 30 10 JDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1359222635 NNYIWZYZFSWFRN-ZWOKBUDYSA-N 457.597 1.255 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSCCS1 1359272135 LRJMQZRGVOFTOR-JKSUJKDBSA-N 459.663 1.638 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1359294560 XOJJHKGHMKNMRK-INIZCTEOSA-N 480.411 1.885 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1359299932 PYCKEXSMBQFBGE-FQEVSTJZSA-N 483.573 1.265 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1359300736 IZZQFIZLTPEKIT-SJORKVTESA-N 490.561 1.809 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@H]2COCCO2)C1 1359314788 HYAFUFSMIBDRMA-MOPGFXCFSA-N 462.572 1.935 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCS(C)(=O)=O)C1 1359321510 HHRDIYRQYDLZPA-ROUUACIJSA-N 499.634 1.803 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1359326444 ABEVWYINQGEYKQ-HNNXBMFYSA-N 470.596 1.121 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1359335800 VIOQURQAMKMHQE-RTBURBONSA-N 477.562 1.844 30 10 JDEE CC(C)NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1F 1448833010 BXJBSKDDKYIANO-LJQANCHMSA-N 458.515 1.915 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 1466288060 FIKOQSIYXKKDBT-HNNXBMFYSA-N 453.478 1.702 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1478552931 PACAOORLRSUEHN-OXJNMPFZSA-N 451.545 1.455 30 10 JDEE Cc1ccc(OC(F)F)c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 1492302333 DSEYVNMLINUDOZ-GOEBONIOSA-N 467.498 1.867 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2NC(=O)CC2(C)C)c1 1507547658 NBAADAJNJJEANZ-LJQANCHMSA-N 477.569 1.485 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1507631796 GGUCRHILCSSECJ-DOTOQJQBSA-N 497.419 1.458 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@]2(C)CN(C)C2=O)n1 1507715906 DPAZEUXOGVGBIS-CVDCTZTESA-N 455.563 1.481 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)N(C)C2CC2)CC1 1507741463 UGAHXEFVVOMENG-CUWPLCDZSA-N 458.607 1.451 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1507806307 MOGBEMXCPPMPFB-YZLZLFLDSA-N 453.609 1.640 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2ncccn2)CC1 1508073182 MJLUJJRAHKQIRN-UHFFFAOYSA-N 486.378 1.465 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(O)cc2)CC1 1508137654 PFBDLWYIPRHCBC-UHFFFAOYSA-N 454.556 1.973 30 10 JDEE COc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)ccc1C 1518002943 FPAGGZUKXISERE-HXUWFJFHSA-N 474.587 1.716 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@H]2COCCO2)cc1 1521109860 HOVCQAXPECMEMH-DLBZAZTESA-N 453.421 1.912 30 10 JDEE C#CCO[C@H](C)C(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)OCc4ccccc4)CC3)[C@@H]2C1 1533632925 CXEDVYNSJZPPAP-UIFIKXQLSA-N 455.511 1.858 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2nccs2)CC1 1539094045 JJVWXYHYBMCNOJ-JKSUJKDBSA-N 451.622 1.641 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1539124768 HSLJPZHFRDKAQB-GHTZIAJQSA-N 489.598 1.691 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1539467587 WKTLMMBSJXLPKG-KRWDZBQOSA-N 456.513 1.630 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC2CCS(=O)(=O)CC2)CC1 1539489109 QVAUNOFOGIAOTF-UHFFFAOYSA-N 499.637 1.956 30 10 JDEE C=C(Br)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539579341 JJLPKXAZSXCSTO-UONOGXRCSA-N 493.337 1.613 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)Nc1c(C)cccc1C 1540072867 OJYPCEGPDKSCDX-KRWDZBQOSA-N 462.576 1.489 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1540866640 VDIUARNZMDYNCE-GOSISDBHSA-N 484.601 1.954 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCn2cnnn2)C1 1540884552 QVOFRQMRYASUNK-HNNXBMFYSA-N 462.356 1.904 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1540898226 DLFSEMQHFCJIAJ-IEBWSBKVSA-N 493.655 1.622 30 10 JDEE CNC(=O)[C@@H]1CN(S(=O)(=O)N(C)C)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375598 POFXIWVIDDDPTK-KRWDZBQOSA-N 473.521 1.648 30 10 JDEE CN(C)C(=O)COc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)c1 1552745186 DNVZTMQUUICXAN-VGSWGCGISA-N 455.494 1.186 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(F)cc2F)C1 1555812233 BOPPMOKKBSCZDJ-APWZRJJASA-N 470.477 1.379 30 10 JDEE CCCCN1C(=O)C[C@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)[C@H]1c1ccc(OC)cc1 1557599541 BRCBNRWXPXULLP-AZUAARDMSA-N 453.499 1.335 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCc3c2ccc(F)c3Br)CC1 1564753444 UKLPGZHKESBQPJ-OAHLLOKOSA-N 459.341 1.370 30 10 JDEE C=CCn1c(S)nc2cc(C(=O)NC3CCN(CCS(C)(=O)=O)CC3)ccc2c1=O 1565626798 OCRRZEAWRADLFP-UHFFFAOYSA-N 450.586 1.110 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc([C@H](C)OC)n1 1587638360 DFWDGIYLKWANRB-OFQRWUPVSA-N 468.605 1.281 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1588044936 DERDEANMHKSHLB-LJQANCHMSA-N 468.583 1.606 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCN1CCC[C@@H]1CO)[C@@H]1CCS(=O)(=O)C1 1588055003 RGHFXMLSFIAOTD-NJYVYQBISA-N 479.647 1.383 30 10 JDEE C#CCN(c1nnc(CC)n1C[C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588059327 LWPXIJLJUYPXMC-IAGOWNOFSA-N 451.593 1.867 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1588074844 SWXKVZULVQGPNF-MRXNPFEDSA-N 480.974 1.914 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCCS(C)(=O)=O 1588189562 MYZJKSRTAVYGML-UHFFFAOYSA-N 452.378 1.944 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1589069399 KKBVOZAJBTZUFL-DLBZAZTESA-N 499.659 1.576 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1589069591 MDXOAEOTZWPFOL-ROUUACIJSA-N 467.661 1.236 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1595777467 NFDZDLQVAQAASR-KRWDZBQOSA-N 467.617 1.372 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1595811834 CFPVTQNFKBIONV-UHFFFAOYSA-N 498.657 1.537 30 10 JDEE CC(C)OCCS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC2)CC1 1611120903 DMCDCLUBBSKXDE-FQEVSTJZSA-N 488.614 1.730 30 10 JDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C[C@@]2(CCOC2)O1 1612977727 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467.643 1.763 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N(C)[C@H](C)C1)C(C)C 1740924516 VBIXRIWQRQLQOJ-UXHICEINSA-N 457.623 1.880 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740956656 XACBKUDZHSDESK-UHFFFAOYSA-N 468.558 1.331 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740989715 VUVMFTKGKPJUGG-UHFFFAOYSA-N 472.571 1.375 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCN(C(C)=O)C2)c1 1748692976 UMFUVXZPRCNCBK-CTNGQTDRSA-N 477.569 1.544 30 10 JDEE COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1F 1748781258 CKSACOXUPCPZGD-INIZCTEOSA-N 493.547 1.989 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCSCC(C)C)[C@H]1CCS(=O)(=O)C1 1748803339 XODQABIDPRAKRJ-KRWDZBQOSA-N 476.628 1.941 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1748809434 MYJVSQHOQIZYIX-QGZVFWFLSA-N 460.556 1.626 30 10 JDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCc1ccc(S(N)(=O)=O)cc1 1748855527 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C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1760192717 MLVPELXEKAGETM-FHWLQOOXSA-N 466.604 1.446 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1760257358 UROXIFNJDLIESO-ZJSXRUAMSA-N 458.607 1.332 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)c(OCC)c2)CC1 1760261330 OUZNKGURKWYRLR-UHFFFAOYSA-N 452.559 1.611 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(COC(C)(C)C)on2)CC1 1760264641 AXRPDEIUQNSWRR-UHFFFAOYSA-N 485.589 1.734 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCC[C@@H](C)C2)CC1 1760271381 WKUOQLFYBYJIAG-LJQANCHMSA-N 455.607 1.098 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1760285149 YLAPLTDBIMZDGA-KRWDZBQOSA-N 460.629 1.989 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1760328201 RXIXGBSMPFOJED-RXVVDRJESA-N 493.634 1.349 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1760517040 AKCUCWWIIFOCKJ-OAHLLOKOSA-N 473.477 1.418 30 10 JDEE C[C@@](O)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1)c1ccsc1 1761511669 BRTCXGKQKUCXLJ-GHTZIAJQSA-N 494.643 1.710 30 10 JDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(CCC#N)CC1CC1 1770342436 CNACQTQNBUGJJJ-QGZVFWFLSA-N 472.575 1.479 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CCCCC1)N(C)C 1772564371 MQOSLOZTPUTXHI-OALUTQOASA-N 454.641 1.744 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1772566642 QFAMWFHZAGZZEA-GJZGRUSLSA-N 457.501 1.242 30 10 JDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1772566879 WNZPERZXHSRUOJ-UYAOXDASSA-N 457.623 1.665 30 10 JDEE N#Cc1ccccc1NC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)C1 1858412170 BIEGNNCBGUDEEO-MRXNPFEDSA-N 452.492 1.861 30 10 JDEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1862697890 UVABICMYLYHVOI-IBGZPJMESA-N 456.407 1.945 30 10 JDEE Cc1ccc([C@H](C#N)NC(=O)[C@H](CO)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)cc1 1867478279 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CC(C)(C)OC(=O)N1CC(O)(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2255947412 APMOXXZMMBVKHQ-UHFFFAOYSA-N 474.410 1.307 30 10 JDEE C=C(CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O)B1OC(C)(C)C(C)(C)O1 2255951619 INBRLBFZXDSVNR-AWEZNQCLSA-N 460.358 1.510 30 10 JDEE CC1(C)OB(c2cncc(S(=O)(=O)NC3[C@@H]4CN(Cc5ccccc5)C[C@@H]34)c2)OC1(C)C 2267378807 SROPSPFSEZEXDI-WOJBJXKFSA-N 455.389 1.790 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2267465849 RIEOEYFWXHLCHB-UKRRQHHQSA-N 488.437 1.553 30 10 JDEE C[C@H](CCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)N(C)C(=O)OC(C)(C)C 2267721637 SIQAXBQVNZZXEY-CYBMUJFWSA-N 473.405 1.038 30 10 JDEE Cc1nc(S(=O)(=O)NCC(C)(C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2267722396 XAQSRQYAKHFERL-UHFFFAOYSA-N 472.417 1.609 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](CCNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)O1 2281925072 WMXGJSCXDMQTKC-GJZGRUSLSA-N 464.372 1.853 30 10 JDEE Cc1cnc(C(=O)N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2281952682 ZQZDJAHIKISQSV-JKSUJKDBSA-N 461.368 1.789 30 10 JDEE Cn1nc(C(=O)N[C@@H]2COCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282039541 WVPUBWMXQWEQLY-ZDUSSCGKSA-N 484.790 1.738 30 10 JDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282041876 CFTLLKBGOYAIJQ-HNNXBMFYSA-N 463.388 1.000 30 10 JDEE CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282042847 JUAWJKQBHILXDO-GJZGRUSLSA-N 464.372 1.474 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2COC[C@@H]12 2282055880 KLUIMLHEVCFVKJ-ARFHVFGLSA-N 460.340 1.140 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F 2282342699 KXSAVZHTPIVXMW-ZIAGYGMSSA-N 488.391 1.345 30 10 JDEE CC(C)(C)OC(=O)N[C@@]1(CNS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CCOC1 2282349705 CDNNDYVQDJFEFV-JOCHJYFZSA-N 482.408 1.948 30 10 JDEE 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JDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(CC(=O)N[C@H]4CCC[C@@H](C)C4)CC3)cc2C1=O 524571676 NJWMGMSPTYQWIO-MJGOQNOKSA-N 452.555 1.921 30 10 JDEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(OC(C)C)cc1 729672298 HKGXSBRKFOKKPR-UHFFFAOYSA-N 459.531 1.583 30 10 JDEE C#CCN(C(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O)[C@H]1CCS(=O)(=O)C1 918756305 QIUZRNVOSACUHX-AWEZNQCLSA-N 453.442 1.822 30 10 JDEE CC(=NNc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 1084028700 NMRSIBGTPFBTON-UHFFFAOYSA-N 490.527 1.927 30 10 JDEE CC(C)(C)OC(=O)N1CCN(CCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1149176294 HRYVFCNPHAOPAA-KRWDZBQOSA-N 451.568 1.901 30 10 JDEE C[C@H](CC(=O)N1CCN(C(=O)Cc2ccccc2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1156581965 ANJROYBJHMCRMO-QGZVFWFLSA-N 454.552 1.417 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)COC2)[C@@H]1CCS(=O)(=O)C1 1286380944 KHPKNNDNMJMMIV-LJQANCHMSA-N 457.556 1.122 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1286388309 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472.594 1.132 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1301509333 GEUFUZLIPGXYQL-OCCSQVGLSA-N 472.493 1.728 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@](C)(C(N)=O)C1 1301576353 CUSPLIYMSSGKGC-QFIPXVFZSA-N 454.556 1.796 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1301587358 YWFOBDJCLQNBCI-IBGZPJMESA-N 492.646 1.449 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC2(CCOCC2)C1 1301588192 CSHORGHRHHLNMT-QGZVFWFLSA-N 472.633 1.178 30 10 JDEE C#CCOc1ccc(F)cc1NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 1310370488 BTFJNIOXLFBSRP-IYBDPMFKSA-N 454.524 1.341 30 10 JDEE N#Cc1ccccc1N1CCN(c2nnc(-c3cccnc3)n2CC(=O)NCC(F)F)CC1 1316532954 CDHWWALHLQFSTK-UHFFFAOYSA-N 452.469 1.920 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cnc2c(Cl)cnn2c1 1358890441 PKPKRFNEQLEQQD-YOEHRIQHSA-N 492.993 1.008 30 10 JDEE C#CCN(c1nnc(C2CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358962356 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C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1359215657 GYSFUMIUGSACOO-HXUWFJFHSA-N 454.579 1.760 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359284580 YZJQFQFEUBMCRY-UHFFFAOYSA-N 467.555 1.355 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1359330693 ZSLYNDDKMJDTKE-AOMKIAJQSA-N 476.603 1.988 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(OC2CCCC2)CC1 1359334568 KAENPIBHVSXRBQ-UHFFFAOYSA-N 465.620 1.929 30 10 JDEE C#CC1(O)CCN(C(=O)CNS(=O)(=O)c2ccc(SCC(C)C)c([N+](=O)[O-])c2)CC1 1470366964 RXNNCKPMJIMUDC-UHFFFAOYSA-N 455.558 1.608 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1507522045 ALCNZKWIVIUJPY-KSFYIVLOSA-N 462.572 1.750 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(O)cc2)CC1 1507564260 NYCATVIUWBAHGP-NRFANRHFSA-N 488.614 1.447 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C(CC)CC)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507631901 HAWQKDPVSPWJCK-CEXWTWQISA-N 464.636 1.222 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1507637828 BVXYMNWAGUCTNU-VPTFNQTCSA-N 464.613 1.561 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507640634 UUHJQBARTPFPBU-YZZKKUAISA-N 490.582 1.032 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1C(F)(F)F 1507653662 PSWGKYOCQBIERZ-IBGZPJMESA-N 495.527 1.945 30 10 JDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCNC(=O)OC(C)(C)C)CC1 1507724914 YAVBKXSJPKQBNQ-UHFFFAOYSA-N 464.574 1.797 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(CC)s2)CC1 1507737145 YUAPMPYSGBHWAW-HNNXBMFYSA-N 478.644 1.526 30 10 JDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507749292 XSAYQCDSFRDITA-IBGZPJMESA-N 463.567 1.950 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC(NC(C)=O)CC1 1507802322 BDMIIJLHFSETHL-CUECOYPOSA-N 482.651 1.753 30 10 JDEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(S(C)(=O)=O)CC1 1508061841 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C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)C(C)C 1540152013 OKRBFPVPASEIFP-DCLXLUIPSA-N 490.674 1.943 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)[C@@H](C)C1 1540876024 FQBIDSWGJTWOIZ-OALUTQOASA-N 491.637 1.809 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cncn2)C1 1540900369 SQAUVWJZCNYPAJ-IBGZPJMESA-N 452.544 1.851 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(C3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540908996 UKZIIHNARYWFNF-QHCPKHFHSA-N 481.663 1.984 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3CC(=O)NCC3CC3)CC2)c1C#N 1543001852 FJKMTVGPBABZHX-UHFFFAOYSA-N 453.595 1.633 30 10 JDEE CCn1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cccc(F)c3C#N)CC2)c1=O 1547622880 FYCPKHZACQZRKQ-UHFFFAOYSA-N 492.559 1.984 30 10 JDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1555581229 DVVXHWSERIAGJH-UHFFFAOYSA-N 458.588 1.552 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(F)cn23)C1=O 1585149519 AVFQCEJJGBYQLZ-UHFFFAOYSA-N 453.405 1.873 30 10 JDEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1587759727 YWOJVZYEHCYWHO-LJQANCHMSA-N 462.576 1.963 30 10 JDEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCOCCS(C)(=O)=O 1587944820 CSNVUUCLDBGXAB-UHFFFAOYSA-N 459.341 1.977 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1588068953 CQOOCJUMFWEVOI-RBUKOAKNSA-N 464.636 1.004 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1588070047 VJGKODZAMCLWDP-DLBZAZTESA-N 479.628 1.567 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncnn1C(C)(C)C 1588099402 MBSNZUIMLBOWEN-UHFFFAOYSA-N 480.598 1.663 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)c1cccs1 1588123973 AEXVRWSHNSUVNW-UHFFFAOYSA-N 471.546 1.756 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2nc(C(C)(C)C)cs2)CC1 1588743222 YRJLOGWHHLHWQF-MRXNPFEDSA-N 479.676 1.640 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCn2nc(C)cc2C)CC1 1588969180 WNUHKKMCUQHDKD-VXKWHMMOSA-N 483.617 1.872 30 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C#CCN(c1nnc(-c2ccccc2)n1CCCCN1CCC[C@@H]1CO)[C@H]1CCS(=O)(=O)C1 1689986675 VCEQSOOVJFBBMJ-YADHBBJMSA-N 471.627 1.809 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689988673 UEKXCELMUBOLDQ-GOSISDBHSA-N 497.625 1.159 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689993058 UVGNHKSFFAMGDZ-HXUWFJFHSA-N 481.578 1.956 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccc(C(F)(F)F)n1 1690076882 CYTNIGAGJXCPLK-CQSZACIVSA-N 487.508 1.122 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C)n(C)c2=O)CC1 1690113159 BCHYXBAUNHDJEY-UHFFFAOYSA-N 470.375 1.846 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CCS(C)(=O)=O)CC1 1690115595 MAHAVLDWRKZXPW-UHFFFAOYSA-N 469.567 1.917 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccc(C)c2)CC1 1690155330 IVDGBROHWWHUEM-LJQANCHMSA-N 476.672 1.885 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1690175192 RNOJNAKMVAABPN-PMACEKPBSA-N 460.625 1.995 30 10 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474.367 1.818 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1705905089 JJPREBSNDOXKQD-QGZVFWFLSA-N 475.532 1.687 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCc2nn(C)c(=O)cc2C1 1705932964 PSGHVFGLMKXHQO-UHFFFAOYSA-N 474.974 1.856 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2([S@@](C)=O)CC2)c1 1722310054 RUZDTUGBQLBKPD-HYJWCJBQSA-N 489.623 1.148 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1722357933 BHBYQRUGWGZHRI-HTAPYJJXSA-N 472.571 1.367 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722362796 WLTKIZFBEAQACA-AEFFLSMTSA-N 491.618 1.561 30 10 JDEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722365528 FKJRMAFUHCRKPI-YLJYHZDGSA-N 487.582 1.190 30 10 JDEE C#CCN(c1nnc(CC)n1Cc1ccc(CN2CCC(O)CC2)cc1)[C@H]1CCS(=O)(=O)C1 1722368288 QVPSLWWEPCCCOT-NRFANRHFSA-N 471.627 1.472 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722369390 YPGWEAVRTFDJMJ-IRXDYDNUSA-N 494.618 1.113 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1722370682 DVUDFJQUAUGAKH-FQEVSTJZSA-N 488.610 1.642 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN(CC)S(C)(=O)=O 1722397199 HKHSNANGJCGHSR-UHFFFAOYSA-N 481.582 1.728 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCCC2)CC1 1722432162 USWRTULBLIRDKL-UHFFFAOYSA-N 455.994 1.713 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1722436283 BVEOLJMLRYQJKR-QFIPXVFZSA-N 452.603 1.916 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOCC(F)F)CC1 1722442086 XXRMFXWENPARJC-UHFFFAOYSA-N 461.473 1.173 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC(=O)NC(C)C)CC1 1722443246 FPBYFYQUKOZTQU-UHFFFAOYSA-N 498.584 1.461 30 10 JDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NCCOC)CC1 1722482577 BPMRUTSTKJLSEK-UHFFFAOYSA-N 495.378 1.893 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1722519165 MOOYIIFSUJICEC-HIFRSBDPSA-N 451.549 1.535 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3cc(Br)cn3C)nnc2N2CC[C@](F)(C#N)C2)CC1 1722795316 GYBQIAIWWQKBIB-FQEVSTJZSA-N 493.385 1.652 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1740621446 LUZHTXOBULNXFR-UYAOXDASSA-N 459.620 1.426 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(OCC(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1740626814 NHZVVCAKUIEARA-AZUAARDMSA-N 487.582 1.059 30 10 JDEE C#CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1CCN1CCN(C(C)=O)CC1 1740679691 HBMVWCAOHFBNNV-UHFFFAOYSA-N 464.614 1.998 30 10 JDEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740778583 LXVFNJRVHZGIHF-ZDUSSCGKSA-N 475.347 1.439 30 10 JDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)C[C@@H]2C(=O)NCC1CC1 1740801531 CAQOCQWKZZNUTM-GDBMZVCRSA-N 471.027 1.774 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC2(CCC2)C1 1740863205 RQBVAHDVOJMZAA-SFHVURJKSA-N 453.609 1.974 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)O[C@@H](COC)C1 1740953133 WRZAJTHNHNFVGB-DZGCQCFKSA-N 467.368 1.588 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1740961586 FNRHUVMSDPNLQL-QFIPXVFZSA-N 494.625 1.285 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 1740967214 ZWHNCVOINUPUTA-LPHOPBHVSA-N 474.587 1.312 30 10 JDEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740971655 SBVDLPOKGWTTGN-SFHVURJKSA-N 454.531 1.900 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(N2CCOC2=O)cc1 1741925346 HLNPEMYXHAEDHY-VLIAUNLRSA-N 477.522 1.335 30 10 JDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1748344535 HTDBGTSUPRYUBZ-FQEVSTJZSA-N 453.547 1.552 30 10 JDEE C#CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1748816141 XMHGYQKAPMFHDO-ROUUACIJSA-N 493.630 1.544 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)C1CCCCC1 1749158273 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WGXNDEFZWIXPAN-UHFFFAOYSA-N 452.606 1.754 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C(=O)OC)CC1 1540869165 DJTZQRQHLZSPJT-UHFFFAOYSA-N 451.487 1.286 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1540897179 CJHAKNLBSKHQMF-SFHVURJKSA-N 488.570 1.389 30 10 JDEE C=CCN1CC[C@@H](N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)C1=O 1568184571 XMVNGQXTFXYTLT-NVXWUHKLSA-N 455.964 1.656 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1587638144 CEAHWTNJLHFKMJ-ZIFCJYIRSA-N 499.597 1.923 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2cccn(CC)c2=O)c1 1587683229 FIMDHTOQRNTLCZ-UHFFFAOYSA-N 475.553 1.702 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 1588030341 SQRJREMBVGGQCH-IBGZPJMESA-N 499.641 1.817 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1588084692 USZTTYYSBQMOEN-QZTJIDSGSA-N 490.630 1.751 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC(C)C 1588233432 JCBGXPJCXJFLPO-IBGZPJMESA-N 472.590 1.964 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1C 1588233974 XNHYPGUXDBKIAZ-QFIPXVFZSA-N 469.611 1.933 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCNC(=O)c2ccc(C)cc2)CC1 1588913522 LNDLZNWSXHUSEO-UHFFFAOYSA-N 459.554 1.977 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OCCOC)cc2)CC1 1588923943 RIMISEHLSOZYKH-NRFANRHFSA-N 480.569 1.269 30 10 JDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1593763330 HBTLYGCDVRAYBS-SFHVURJKSA-N 456.551 1.205 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1593884017 APTLSSQUTXMALU-AWEZNQCLSA-N 467.939 1.563 30 10 JDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)N2CCSCC2)CC1 1594169507 ZAZIZFCPNWUROL-UHFFFAOYSA-N 468.649 1.295 30 10 JDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F)C1CC1 1595054723 PROKSHDAANDICP-NVXWUHKLSA-N 477.553 1.988 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1595496922 LBCRHVBRMPYAHW-VQTJNVASSA-N 488.614 1.645 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1595594266 MJTIRENQMYTDLE-QGZVFWFLSA-N 457.466 1.568 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](C(F)(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595831831 XIOUNFRCWVWMST-MAUKXSAKSA-N 482.525 1.687 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1595877951 DPISXNJRDCODTB-HOTGVXAUSA-N 454.622 1.153 30 10 JDEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CC1 1617334173 HKKIFUVLMUEZQL-UHFFFAOYSA-N 459.576 1.155 30 10 JDEE C#C[C@H]1CCCCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1618708406 UHPRRCGTULWTMT-SFHVURJKSA-N 451.976 1.967 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccs1 1619912476 DSQZUOWOBRILRQ-HNAYVOBHSA-N 453.590 1.516 30 10 JDEE N#CCC1CCN(c2nnc([C@H]3CCCCO3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1620357068 AKJKPHLCYYEIHR-GOSISDBHSA-N 463.564 1.757 30 10 JDEE C#CCN(C(=O)CNS(=O)(=O)c1ccccc1N)C1CCN(C(=O)OC(C)(C)C)CC1 1634818193 NHYZVBDSFVAHAT-UHFFFAOYSA-N 450.561 1.408 30 10 JDEE C=CCCn1cc(CNS(=O)(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)nn1 1665452225 ZVIQGRRKUFVSML-UHFFFAOYSA-N 453.590 1.816 30 10 JDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1689873820 XWNWXLLJTWHPJO-UHFFFAOYSA-N 488.589 1.968 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1689977832 DXAZUHJKBHGBIU-UTKZUKDTSA-N 477.612 1.110 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1c(C)noc1C 1690019127 BEMCLMAAHPIKHN-QAPCUYQASA-N 460.560 1.092 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2ccccc2F)CC1 1690146446 NZGAJQKACBPPLF-GOSISDBHSA-N 468.533 1.317 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccc(OC)c1 1690192476 ABVCFZFYUJUDFN-KSFYIVLOSA-N 474.587 1.319 30 10 JDEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690303370 XRICYRIUSDZVGZ-UHFFFAOYSA-N 469.502 1.967 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1690375203 CUQLCYRGXZVHOP-RTBURBONSA-N 464.636 1.279 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1690669032 RCLHMYUSDNCJHQ-UHFFFAOYSA-N 466.933 1.540 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1690673376 UQHDVWWBFGSGSH-TZIWHRDSSA-N 468.602 1.727 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(=O)N(C)CC)C1 1690697648 ZOGCFQJGOCAVAR-INIZCTEOSA-N 451.531 1.452 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2cccc(C)c2)C1 1690699916 LENWWDIPFFMCFD-RTWAWAEBSA-N 491.614 1.780 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1690725412 PESJVXFLQNRTLK-LJQANCHMSA-N 476.578 1.649 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1690731874 SERDUZZTTXEWPQ-QGZVFWFLSA-N 465.601 1.754 30 10 JDEE CN(C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1696613186 AAMQYXRRCYPTCD-HXUWFJFHSA-N 485.658 1.966 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705563104 QURUTFFAIOHSAV-KNQAVFIVSA-N 471.627 1.855 30 10 JDEE C#CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705563228 SVMJFAITKAAOGE-OAHLLOKOSA-N 466.449 1.110 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1705563261 UCQVOWWERDPDNV-GOSISDBHSA-N 459.572 1.876 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCCS1(=O)=O 1705593177 IXCOGKXFVQDACW-UHFFFAOYSA-N 457.556 1.461 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](CC)Oc2cccc(F)c2)CC1 1705633017 HKUVWHRQKAZAQH-PKOBYXMFSA-N 478.594 1.640 30 10 JDEE C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705720890 HCLNAEIVGUUXKL-GOSISDBHSA-N 486.548 1.641 30 10 JDEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1705797188 RMJSQMHPVMXTDJ-AQNXPRMDSA-N 473.599 1.491 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](C)C1 1705900537 HFNPFNPFZSKMIS-HOTGVXAUSA-N 451.531 1.591 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1705907318 IHYAPPSIMSHAQB-QHCPKHFHSA-N 453.522 1.679 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2C)CCO1 1706054715 GTRNXEPZBHJSGK-UCNVEGJOSA-N 468.558 1.743 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1722360541 UZXCFOTVTILGRK-LEWJYISDSA-N 487.626 1.427 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CC1(C(=O)NCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1722363193 RLHIKPJYGNMKKT-LJQANCHMSA-N 455.584 1.878 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1722366047 QQSFRZIABUJJEP-DENIHFKCSA-N 459.572 1.195 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1722371898 ZNRBEGACOPGPJN-YLJYHZDGSA-N 460.556 1.822 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1722403047 UHWZESNZYXWIEL-TZIWHRDSSA-N 474.631 1.730 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)cc1OC 1722414241 YEYPKCLCBYSYIH-FQEVSTJZSA-N 477.587 1.330 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1722698599 ILLBGYLQXQFFQT-ZWKOTPCHSA-N 461.563 1.691 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1722727029 FDZRFJQJQYFLBE-KRWDZBQOSA-N 479.628 1.797 30 10 JDEE CC(=O)Nc1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cc1 1722803893 HSALNJWTSQJRAM-OXQOHEQNSA-N 489.602 1.550 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(=O)Nc1ccc(F)cc1 1723939912 ABPZXLLCFVEYMC-VBKZILBWSA-N 463.539 1.796 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(C)cc1)N(C)C 1740549393 GBANNEZZRXVKHS-CEWLAPEOSA-N 474.631 1.680 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nc2ccccc2[nH]1 1740549647 GKGQRKNCDTZBSR-LPHOPBHVSA-N 471.587 1.578 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1740621930 QGHVQHFKUBBHAM-UYAOXDASSA-N 456.572 1.225 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1740625450 QRADSFPSUHIBFX-CVDCTZTESA-N 489.573 1.074 30 10 JDEE C#CCN(c1nnc(CC)n1Cc1ccccc1CN1CCC[C@H]1CO)[C@@H]1CCS(=O)(=O)C1 1740626726 WFMHUUPCIOQWLT-FCHUYYIVSA-N 471.627 1.472 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1740627903 TZMWEYHVKVYQJE-MOPGFXCFSA-N 492.623 1.194 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2cc(F)ccc12 1740672205 YZSSPUAQCPOTFN-HXUWFJFHSA-N 474.562 1.934 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c2c(c1)OCCO2 1740686973 YSWYASHBEIEDDA-INIZCTEOSA-N 480.974 1.739 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCCC[C@H]2C)CC1 1740695739 BYVNALLQHUSJMR-RTWAWAEBSA-N 462.664 1.590 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2cccc(C(N)=O)c2)CC1 1740706384 UGHQXTZOGQAYEV-NRFANRHFSA-N 464.570 1.480 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCNC(=O)C(C)C)CC1 1740707923 VKOHVWLIDOAXEW-UHFFFAOYSA-N 470.549 1.734 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740712970 APIGYYODIBTTMQ-SFHVURJKSA-N 454.556 1.793 30 10 JDEE C=CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740852886 VADWRUAPZYHPFL-KRWDZBQOSA-N 468.558 1.615 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1740869055 ZOGDBRXIHJOMAH-CVEARBPZSA-N 472.612 1.584 30 10 JDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(S(C)(=O)=O)CC1 1740875012 OBRYYDKQQUPHND-UHFFFAOYSA-N 467.621 1.286 30 10 JDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1740884981 SKSZKOBQNJXAQA-SIKLNZKXSA-N 468.606 1.707 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740954444 MRGTTWZXPPIDGC-MRXNPFEDSA-N 458.544 1.512 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)c(F)c2)C1 1740980997 NJPASXBLQFSSHH-FXAWDEMLSA-N 495.577 1.588 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2OC)CC1 1740986143 TVVDIAVLXOTWMB-UHFFFAOYSA-N 476.603 1.352 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1740991101 OIBOWRGHXBVTEA-HXUWFJFHSA-N 450.653 1.751 30 10 JDEE CC(=O)N1CCN(CCn2c(N3CCN(c4ncccc4C#N)CC3)nnc2C(C)(C)C)CC1 1741065528 BULNKXBGJBKEPX-UHFFFAOYSA-N 465.606 1.333 30 10 JDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@@]2(CCCOC2)O1 1743243390 AOINYNLUFZZFJK-HRAATJIYSA-N 460.560 1.140 30 10 JDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1748802137 LSIXUOMDWLTHER-SFHVURJKSA-N 494.017 1.649 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CC(=O)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748816938 BDZWKZGPQFVSCT-FQEVSTJZSA-N 457.600 1.762 30 10 JDEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(C)CN(C)C1=O 1748951131 SXQWTFZQPZSVJH-JOCHJYFZSA-N 473.603 1.111 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCCS(C)(=O)=O)CC1 1748984970 XZFYKQAEXRXPOT-UHFFFAOYSA-N 496.431 1.906 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H](C)N2CCCCC2)CC1 1749001288 PFTARAPHCDGPIO-FQEVSTJZSA-N 469.634 1.744 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCOc2cccc(F)c2)CC1 1749008815 GNKZCOFDYSXINI-UHFFFAOYSA-N 451.506 1.863 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1749008928 DFZNVVFZDNEMQA-ZWKOTPCHSA-N 487.605 1.498 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)nc2)CC1 1749015394 VBMPZRCLDNOUKQ-KRWDZBQOSA-N 476.990 1.243 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1749045072 ZKYPIWMYRBQSOG-QFIPXVFZSA-N 481.626 1.116 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(C)C)CC1 1749132187 ZOQZGNIJBOSCET-TYPHKJRUSA-N 496.678 1.559 30 10 JDEE C=CCCOCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749445706 WBTJHTWJUDAKHD-IRXDYDNUSA-N 472.521 1.297 30 10 JDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1760162387 RXSUYONTFPUVCL-RBUKOAKNSA-N 453.609 1.462 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1760184162 WEPCJIYOTHPAET-BXWFABGCSA-N 497.618 1.458 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CCOC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1760187822 XXPRHGQYAAUZCL-RBUKOAKNSA-N 498.671 1.404 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760212224 VIFTYAOEQMYMKZ-SFHVURJKSA-N 466.361 1.048 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1760252342 PKRZORRPUJFSRI-FPOVZHCZSA-N 487.004 1.668 30 10 JDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1760341293 QDKCXWGOCXADAU-PKOBYXMFSA-N 452.563 1.490 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)CC1 1760357176 GDUKATMKDVUHBN-WIYYLYMNSA-N 471.624 1.599 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1760441076 XTRCEUSWHBFTRN-GJZGRUSLSA-N 494.540 1.082 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1760510428 XQPCUFPQTILBJS-XIRDDKMYSA-N 453.590 1.825 30 10 JDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)CC1 1766566982 CSSBMATXZSOMEG-UHFFFAOYSA-N 466.590 1.332 30 10 JDEE CCN(CCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](C#N)C1)S(C)(=O)=O 1766867486 HCLAWVFEEWAJSQ-OAHLLOKOSA-N 452.968 1.999 30 10 JDEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCC2)C1 1770352397 AXNRELAXLQYDMD-LJQANCHMSA-N 488.614 1.799 30 10 JDEE O=C(NCCN1C(=O)CSC1=O)[C@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931723 FXSNKJCHTONLFO-INIZCTEOSA-N 472.548 1.148 30 10 JDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCC)cn1CCN1C(=O)CSC1=O 1870683613 PUEZLHZYRCOLKO-UHFFFAOYSA-N 462.572 1.623 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)N2C[C@H](C)O[C@@H](C)C2)nc1C 1872679116 YSJOCGKHMGOOGF-QWRGUYRKSA-N 465.488 1.444 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)[C@H](O)C1 1890523935 DVVWGVHKPOEAEP-ZHRRBRCNSA-N 452.357 1.509 30 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Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CCCN1Cc1ccccc1 2267717669 HRDJOSWUNCIVGJ-GOSISDBHSA-N 460.409 1.662 30 10 JDEE Cc1nc(C(=O)N2CCN(C)C[C@H]2CNC(=O)C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)s1 2282022169 RPUZMYUAJKPBAW-GFCCVEGCSA-N 476.330 1.185 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 2282066906 MCEQGNWVTUEMPA-LSDHHAIUSA-N 464.372 1.521 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1 2282115698 VHSZEAZXEJEURY-HNNXBMFYSA-N 463.384 1.907 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H](F)C[C@H]1CNC(=O)OC(C)(C)C 2282329853 SCEKWCUNPAYUDB-KGLIPLIRSA-N 488.391 1.345 30 10 JDEE Cn1cc(C(=O)N[C@@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)nc1B1OC(C)(C)C(C)(C)O1 2282554116 YPIMIBMVGAKHNE-FVQBIDKESA-N 462.356 1.083 30 10 JDEE Cn1cc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCCO2)c(B2OC(C)(C)C(C)(C)O2)n1 2282585833 QOGQBTGUIARFJN-HNNXBMFYSA-N 464.372 1.475 30 10 JDEE 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VYCGWNBMUZEVTQ-OLDDLQIBSA-N 461.478 1.359 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCCO3)c(=O)n1-c1ccccc1 590965757 YOZFTNDBRZTXFJ-UHFFFAOYSA-N 475.526 1.484 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1-c1ccccc1C#N 604002671 GYVOVNXWZJKMQK-UHFFFAOYSA-N 486.553 1.601 30 10 JDEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1 728590321 TZQGVIKMAWEWMY-AWEZNQCLSA-N 454.524 1.739 30 10 JDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1)[C@@H]1CCS(=O)(=O)C1 729332031 JLLYPGIYAKQEID-GOEBONIOSA-N 453.358 1.759 30 10 JDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NCC#C)CC1 1286322387 AOMQRTZXOITSES-UHFFFAOYSA-N 471.565 1.961 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1286390174 YGCNXUBORSQCQK-GOSISDBHSA-N 470.555 1.393 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC1(O)CCOCC1 1286410173 XJWGJABLBYWUCT-UHFFFAOYSA-N 460.538 1.679 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccncc2Cl)CC1 1286486077 HMRTYSYSUVTJBS-UHFFFAOYSA-N 478.944 1.988 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)N1CCN(c2ccccc2)CC1 1286516061 BZCYMEJGNNTSAE-NTKDMRAZSA-N 499.641 1.229 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCC2=O)C1 1286547667 PMHGKNLFHYOXRV-FAJBIJEISA-N 466.608 1.071 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCS(=O)(=O)N(C)C)C1 1286814721 VWWCIKQJSGJCDP-RCCFBDPRSA-N 455.625 1.869 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1286819073 YXTRNPODUASYAP-UHFFFAOYSA-N 456.572 1.880 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1286819725 TXILEUOFZUNNMR-HNNXBMFYSA-N 463.564 1.080 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1286825572 SSBZCVBLJQHGJA-HXUWFJFHSA-N 477.635 1.403 30 10 JDEE C[C@H]1COCCN1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1291306769 GIZGZPRPLISTRH-HRAATJIYSA-N 462.551 1.511 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1300309124 GCBFZJFNTLACQV-SOADLSRISA-N 451.593 1.010 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(C)nn2C)c1 1300330833 DMXAQXGOKNERBN-INIZCTEOSA-N 484.586 1.035 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cnn(CC)c2)c1 1300332092 WCSBRTYSUQFFOQ-MRXNPFEDSA-N 484.586 1.209 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300479136 JFDQOOVURIIULI-HBMCJLEFSA-N 490.674 1.509 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300491904 JOVOWIBTVKMBBC-GOSISDBHSA-N 497.625 1.951 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccn(CC)c1=O 1300537697 ISLSHTJVVUEPTJ-HXUWFJFHSA-N 480.569 1.889 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC 1300539001 WLLLVDRPFRYNPJ-HXUWFJFHSA-N 457.556 1.131 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1300693010 PYRFZBJRTJIMPG-LJQANCHMSA-N 463.508 1.749 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1300856505 FDCGLEXTAXWUOZ-UHFFFAOYSA-N 475.413 1.169 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1300884373 KBZCWAKNVYGHJR-VXNCWWDNSA-N 451.593 1.614 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCC(C)(C)C)CC1 1300952138 NHPBFKFJSITHOJ-GOSISDBHSA-N 454.641 1.745 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC(F)(F)CO2)CC1 1301124098 GBTFZVNBAJCJKN-HOTGVXAUSA-N 461.535 1.438 30 10 JDEE CO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N2CCSCC2)C1 1302366902 HXRIMGBTZAOAKP-GOSISDBHSA-N 462.601 1.420 30 10 JDEE C#CCOCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1 1347694175 UNKGWSQOVJWUBY-KRWDZBQOSA-N 451.545 1.277 30 10 JDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCN1CCN(CC)CC1 1358946263 OKEIAVLTVQUCJT-UHFFFAOYSA-N 462.602 1.679 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCOc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1358965949 FAGDRMBQNIAMDV-LJQANCHMSA-N 471.583 1.415 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCOCC)CC1 1359043884 MTDWEBVOHGCSGV-UHFFFAOYSA-N 487.630 1.631 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1CC 1359070362 LDCGSBJSAYRHHV-LVCYWYKZSA-N 450.609 1.087 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1359103794 SKKQYTOIPRRTFI-WIYYLYMNSA-N 477.635 1.639 30 10 JDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1359135014 PLVWREGCHVSMEF-NRFANRHFSA-N 467.618 1.990 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](COC)C1 1359144235 CCJYNFASUAZSPQ-MRXNPFEDSA-N 455.968 1.800 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)c2ccco2)CC1 1359296604 OTSGBRKYVNISDZ-UHFFFAOYSA-N 480.525 1.820 30 10 JDEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1359344706 GORLRSNLMOZYOP-LJQANCHMSA-N 455.588 1.777 30 10 JDEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 1464174540 AOYJYWOKUXIGEJ-UHFFFAOYSA-N 455.540 1.663 30 10 JDEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 1501901185 HTGGSUNLLPYZGW-XMMPIXPASA-N 483.642 1.675 30 10 JDEE CN(C)C(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1503358752 AFAUMMUHRBYIMW-UHFFFAOYSA-N 463.546 1.600 30 10 JDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCS1(=O)=O 1503633555 GBHDMJFCFLJUNE-QGZVFWFLSA-N 451.574 1.265 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Br)n1 1507538601 NTNGUBNMVWMGHS-HIFRSBDPSA-N 483.392 1.275 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1507630609 DAGZMCLFPRIKNZ-LJQANCHMSA-N 466.567 1.650 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCOc3ccccc32)CC1 1507733555 CFNLBPKTFNDGAW-LJQANCHMSA-N 464.570 1.948 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(O)c2)CC1 1507737153 ZBRTYWWEYZCBRZ-DEOSSOPVSA-N 453.543 1.650 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCc2n[nH]c(C)n2)CC1 1507740628 WCJJRVJEZMRLPW-UHFFFAOYSA-N 453.576 1.269 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCc2sccc2C1 1507751179 LIQXHOIJWBCIFM-QGZVFWFLSA-N 481.669 1.992 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1507837333 MPZNUTFIKOIQEG-DLBZAZTESA-N 486.639 1.927 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1508073374 WIVBVNFCOGTRJM-PKOBYXMFSA-N 456.547 1.690 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1508090906 KLKMWAZUYIFKOE-ZWKOTPCHSA-N 459.572 1.485 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1508095606 YPECZQDDFPMTNG-RTBURBONSA-N 452.559 1.969 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1508190191 ZELHELQPPIHDQP-GLEDVZQVSA-N 463.542 1.776 30 10 JDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCS(=O)(=O)C1)S(C)(=O)=O 1508430269 COCDNOQWHFUYGN-RYRKJORJSA-N 479.628 1.899 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1539224627 IOYLKMJFGVMVTN-OAQYLSRUSA-N 451.552 1.431 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1539474222 LVRCDFXDQWZDSN-LEWJYISDSA-N 453.543 1.459 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCCC2)CC1 1539481382 MIWLENNRPWTQHC-HXUWFJFHSA-N 476.647 1.022 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1539706521 LWJVYCAARRFDGD-FPOVZHCZSA-N 474.631 1.898 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1540120299 NBZQALKMNYRUAX-XLIONFOSSA-N 453.536 1.390 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1540879592 IYGZRPZFWYGNCT-SJLPKXTDSA-N 489.602 1.057 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1540905275 SMCLQDORSPSMJQ-JKIFEVAISA-N 497.470 1.801 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1540907718 GADAYHXOAZVBDY-INIZCTEOSA-N 456.576 1.885 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C(=O)NC)C1 1540908710 MCCJXNCVURFWJR-RCCFBDPRSA-N 467.636 1.760 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1541115956 HLZIXVGBILWLFP-HKBOAZHASA-N 485.658 1.987 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1(CS(C)(=O)=O)CC1 1541680917 HAUJEWRJYKZCNV-LJQANCHMSA-N 486.598 1.691 30 10 JDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 1543756836 NEVCVYGSCNMGJN-LSDHHAIUSA-N 453.989 1.627 30 10 JDEE CCNC(=O)C1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)CCC1 1547751422 BZICTWFDMKCIMQ-UHFFFAOYSA-N 479.589 1.316 30 10 JDEE CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1548317925 CJJPGJGQOPQTHQ-HXUWFJFHSA-N 458.588 1.411 30 10 JDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(Cc2ccccc2)c1C 1587909894 XFEPTPYLZFKBJQ-KRWDZBQOSA-N 455.588 1.868 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCOCC1 1588138425 CKPPDSUBJJJBPD-UXHICEINSA-N 472.590 1.380 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(F)c(Cl)c1 1588386417 OULSFXFMSVZEKJ-GOSISDBHSA-N 485.969 1.942 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1588559851 LIQWZYVKGGVZPH-UHFFFAOYSA-N 461.876 1.956 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN2CCCCCC2=O)CC1 1588877073 UGOOIWFITFGXJC-UNMCSNQZSA-N 458.607 1.550 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1589216411 NZYBSXBWYUVSLL-DYESRHJHSA-N 462.597 1.624 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1595796791 CDSIVQWXMNXDMR-RCCFBDPRSA-N 456.634 1.940 30 10 JDEE C[C@H](CN1CCCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1611612889 IBSQXOMWGHPMAI-LJQANCHMSA-N 487.630 1.542 30 10 JDEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)C1 1611778125 CNNDNGILOVHUNH-QHCPKHFHSA-N 479.566 1.922 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCOCC2)CC1 1615952003 FLCSAKHJYGAQRA-UHFFFAOYSA-N 467.574 1.413 30 10 JDEE CN1CCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CC1(C)C 1618487738 FDGKPZXQWCZIMH-LJQANCHMSA-N 463.652 1.336 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1S(C)(=O)=O 1689852937 MVOXVRKBZCULPW-KSZLIROESA-N 496.634 1.468 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CCN1CCOC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1689986066 HYYAKOHNRPWFTQ-FQEVSTJZSA-N 471.627 1.991 30 10 JDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCCn2cc(CO)nn2)CC1 1690132430 QDASUROLIOVTSN-UHFFFAOYSA-N 450.547 1.095 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2ccnn2C)C1 1690235969 GVTHLFVTQNPDIM-GNBUJSLZSA-N 477.635 1.987 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC)[C@@H](C)C1 1690433015 QWLKNYOHHRZDBE-ZWKOTPCHSA-N 454.641 1.744 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(=O)OC)C1 1690668626 CFKSJRMDMWKIDT-KRWDZBQOSA-N 493.568 1.928 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(C(N)=O)c2)C1 1690699253 BVGWOHZDNMLUJQ-RTBURBONSA-N 459.572 1.303 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690722287 DEIVSOBVKPGPDZ-OAHLLOKOSA-N 463.585 1.651 30 10 JDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CC1 1695596106 BYKXUUQDTLFWPU-VWLOTQADSA-N 481.601 1.613 30 10 JDEE CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCS1 1696828992 BNCCUYOTDRDMAV-GOSISDBHSA-N 464.617 2.000 30 10 JDEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)NC(C)C)CC2)CCOC1 1697227708 CQISUIUDHFFSFQ-XMMPIXPASA-N 467.574 1.269 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CC(=O)N2CCOCC2)c1 1705507974 NTPFQRKZBARSAF-UHFFFAOYSA-N 493.593 1.549 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCOCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705566637 PCMMLZDQCSNSDY-NHCUHLMSSA-N 480.631 1.980 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1705568811 VOCGOMQSWWTAJR-AUSIDOKSSA-N 490.651 1.969 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc2n1CCC2 1705619084 GOOWHXJAODQMIJ-HNNXBMFYSA-N 472.550 1.253 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705629302 CXTKDMBMDLPSLE-FQEVSTJZSA-N 452.964 1.158 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCc2nc(C)no2)CC1 1705645337 QPUWIMQAXGGPLD-DEOSSOPVSA-N 485.589 1.609 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCC)CC1 1705661524 DFQZJTRKZMTVPQ-GOSISDBHSA-N 467.661 1.679 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)NC)CC1 1705730071 BJPWJJCGXVNPTR-UHFFFAOYSA-N 491.618 1.250 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1705890981 SUJIPNCSWWLYJW-FQEVSTJZSA-N 460.604 1.740 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1705900972 WDLJVEZHYWWDQS-XMSQKQJNSA-N 480.617 1.330 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705908155 JVALNKLSUGGRQR-NRFANRHFSA-N 495.628 1.465 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1705936892 AKWKXLNQNRRPKY-SPEDKVCISA-N 461.588 1.637 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1705946410 GYVGJOLIRWYNMV-ZWKOTPCHSA-N 469.677 1.789 30 10 JDEE CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOCCCO)C[C@H]2C)CC1 1705982745 LLNFVCVSTBCLAC-YKSBVNFPSA-N 495.628 1.595 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 1722360974 XIBAGQIPGJDXFT-IBGZPJMESA-N 478.534 1.353 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1722367658 WTYJVZHBTOLIIC-NRFANRHFSA-N 470.599 1.149 30 10 JDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1722372578 ZPYORAIYLZCPJE-RDPSFJRHSA-N 485.610 1.695 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCN(CC)CC1 1722414188 XGLUGPCLEVSBSL-LJQANCHMSA-N 452.625 1.193 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(O)c2)n1 1722429619 PCTWXJBKAZDBRG-LJQANCHMSA-N 484.582 1.417 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1722446501 YDWOZHNVRKHBNO-UHFFFAOYSA-N 491.552 1.775 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCN2CCOC(C)(C)C2)CC1 1722449021 KYUFWTONXJAEMI-UHFFFAOYSA-N 465.602 1.341 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1722456094 YPNOJHZAWIJURA-SJORKVTESA-N 462.553 1.829 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCN(Cc2ccccc2)C1 1722685266 BHTFUOADRGTBPW-NHCUHLMSSA-N 474.631 1.755 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1722693112 DFLPWPZVXAGTRF-LJQANCHMSA-N 499.597 1.061 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1722696325 IXFGGBTVFDVSCN-QGZVFWFLSA-N 467.574 1.045 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1722696473 OYTBDKOYWXEVLJ-PGRDOPGGSA-N 483.592 1.765 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnn(CC)c1 1722699291 UAXHOFFBTWACMB-SFHVURJKSA-N 488.593 1.742 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1722702229 LRDJIMUJIQYEHY-OAHLLOKOSA-N 454.560 1.299 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1722703323 ZFBWSYUEAGSVAD-DLBZAZTESA-N 458.567 1.821 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(=O)N2CCOCC2)C1 1722715881 QOFSHXGXQUDXRW-SFHVURJKSA-N 457.531 1.602 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)CN1CCOCC1 1722861654 AOARRUIGAPDNFO-QZTJIDSGSA-N 460.604 1.913 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740622340 XKPWFJDLFZOHRZ-ZWKOTPCHSA-N 478.018 1.946 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CC2(C)C)n1 1740689145 PWXGMCAIMLAICX-ZWKOTPCHSA-N 460.604 1.709 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1740749686 CBSCPFJWLXIONO-MJGOQNOKSA-N 465.620 1.899 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1740833728 WWKGJIZZBLZNEN-MRXNPFEDSA-N 496.659 1.589 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CN(C)C1=O 1740923770 UYXUFWHNGFJYNM-UWJYYQICSA-N 494.643 1.343 30 10 JDEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1740945700 OFIRZYCPYWALSI-UHFFFAOYSA-N 498.584 1.434 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1740960159 MATJHOWDXQJOMP-HXUWFJFHSA-N 483.573 1.677 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(C)CN(C)C2=O)C1 1740974742 PDPYIIGQFLILPC-VGSWGCGISA-N 459.572 1.608 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(C)COCCO2)C1 1740975049 RGHGONPMBSSYHT-CVDCTZTESA-N 491.614 1.782 30 10 JDEE CC(C)N(CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)C(C)C 1741617845 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C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1749629785 DUHMWRSJHANMPR-KRWDZBQOSA-N 481.648 1.138 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C#N)C1 1749669016 BOXFVJRXIPJHMV-IAGOWNOFSA-N 459.551 1.424 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCNC(=O)C1 1749729432 JKXLMCRAZDMSEY-UHFFFAOYSA-N 454.350 1.245 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)C(C)C)CC1 1749744365 ILXGGXQDTCZHCM-MRXNPFEDSA-N 458.654 1.502 30 10 JDEE CC(=O)N1CCN(CCn2c(Cc3csc(C)n3)nnc2N2CCC(C)(C#N)CC2)CC1 1749888710 RFRZYVSMCYQMFC-UHFFFAOYSA-N 456.620 1.928 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCCn2cc(CO)nn2)cc1 1750382377 FUMFUYVSVAVKLW-QGZVFWFLSA-N 462.436 1.758 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1760117758 SVDJYQJKDGGXDL-YESZJQIVSA-N 458.592 1.139 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)COCC)[C@H]1CCS(=O)(=O)C1 1760182322 IHBXPKJEUCUCJO-KRWDZBQOSA-N 474.587 1.615 30 10 JDEE 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C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282679558 BEBRDABKWPCUKP-RBSFLKMASA-N 461.372 1.442 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2282982504 FITDRHYSMWQHDG-WMZOPIPTSA-N 462.352 1.792 30 10 JDEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C 2284128182 CMVWWTAYZOYFAU-XIRDDKMYSA-N 482.408 1.347 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCNC(=O)OC(C)(C)C)C[C@@H](C)O 2285353696 QRXOAYUPTFVBIZ-OAHLLOKOSA-N 466.388 1.550 30 10 JDEE CC(=O)C=Cc1ccc(O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1 2297563541 JKSURXNGHYFGCH-GNADVCDUSA-N 492.477 1.751 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)[C@@H]2C[C@@H]21 2320745749 RPCYQUSWGUJDSU-AVGNSLFASA-N 450.370 1.843 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Oc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2345676242 CAYFQTPLQWLRFN-HUUCEWRRSA-N 472.344 1.589 30 10 JDEE N#Cc1ccccc1NC(=O)COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCOCC2)cc1 96480063 CMEKFNOKRAQFCO-YFHOEESVSA-N 455.492 1.774 30 10 JDEE COc1cccc(NC(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)c1 253561373 CATGLQHSXNWMKQ-AWQFTUOYSA-N 487.458 1.994 30 10 JDEE CC(C)NC(=O)CN1CCN(C(=O)CSc2nnc(NN=C3CCCCCC3)[nH]2)CC1 253567358 JYTJVMIIGUPQKL-UHFFFAOYSA-N 450.613 1.688 30 10 JDEE C=C[C@]1(C)CC(=O)[C@@]2(O)[C@]3(C)[C@H](O)CCC(C)(C)[C@H]3[C@@H](O)[C@@H](OC(=O)CCC(=O)O)[C@@]2(C)O1 256356205 GAXOOYZVVOXRCK-SHNXXTNGSA-N 468.543 1.365 30 10 JDEE in-vitro C#CCN(C(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1)[C@@H]1CCS(=O)(=O)C1 729330900 HGVDQIPFBJTAQV-HXUWFJFHSA-N 466.625 1.987 30 10 JDEE CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn4ccccc34)c(=O)n2-c2ccccc2)CC1 729668821 RQGYFRYBYCCRIJ-UHFFFAOYSA-N 484.585 1.214 30 10 JDEE CCOCCn1c(=C(C#N)C(=O)Nc2cccc(OC)c2)sc(=Cc2cnn3ccccc23)c1=O 729669769 UEGQYTRPZRYMGU-UHFFFAOYSA-N 489.557 1.744 30 10 JDEE C=CCOc1ccccc1CNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1211155150 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1300657223 HPGNOMDJVJGLTN-UHFFFAOYSA-N 472.546 1.864 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c(F)cc(F)c(F)c2F)CC1 1300680462 CGHWZWQCAIVPIY-UHFFFAOYSA-N 450.440 1.874 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@](C)(O)C(C)C)CC1 1300718822 GGYVJGABQXLZMY-DEOSSOPVSA-N 477.573 1.294 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCS(=O)(=O)C(C)(C)C)CC1 1300733646 ZKXQMAVMFFBCIU-OALUTQOASA-N 495.646 1.181 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1301066077 NVEOIJMJJGCBJY-CABCVRRESA-N 450.531 1.929 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1301150845 CANLCRFFIJCKGO-PMPSAXMXSA-N 469.564 1.327 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1301223339 SBEDTGMYECMSOX-LAUBAEHRSA-N 469.608 1.352 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1301577848 OQZMDMQTCNLZLZ-GOSISDBHSA-N 460.604 1.630 30 10 JDEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N1CCOCC1 1302512514 DOGCXQCYQPPBSX-LEWJYISDSA-N 472.615 1.797 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCCCC1 1303405101 HLBHRCZRXWSUTB-SFHVURJKSA-N 466.594 1.279 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1314557472 GOEMCDPLNTWRDP-IERDGZPVSA-N 460.560 1.140 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1358958012 FQHBQISLKPSCNG-UULLZXFKSA-N 455.005 1.994 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1358985528 AUYNSBFLVQZPDT-VGOFRKELSA-N 460.531 1.570 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OCC)c1ccccc1 1359010621 VEVVYRVSYRCLEC-WOJBJXKFSA-N 461.588 1.848 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1359042723 RHMVHEGZJWFCOU-GOSISDBHSA-N 485.610 1.744 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@H]1C 1359054706 DPEPTRDCFAHSDZ-MRXNPFEDSA-N 465.583 1.615 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(S(C)(=O)=O)CCCC1 1359113630 MSFZYESVNXCFJU-QGZVFWFLSA-N 489.664 1.371 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1359287587 MPPYXOBSEPJWKC-HXUWFJFHSA-N 488.614 1.538 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)CC(=O)NC(C)(C)C 1359298474 AVJNZLBOEKMBMQ-UHFFFAOYSA-N 494.600 1.718 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC(=O)NC(C)C)cc1 1359307993 ZVOISFZZHWPKDA-GOSISDBHSA-N 461.588 1.754 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccc(C(F)F)n2)CCO1 1359451870 AZYPWFVEJFHKGZ-SFHVURJKSA-N 498.494 1.846 30 10 JDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCS(=O)(=O)c3ccccc3C2)CC1 1473411457 AEKNDVLKAZXUTL-NRFANRHFSA-N 456.543 1.824 30 10 JDEE Cc1cc(C)n(CCCn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)n1 1492759450 FGDJQGPCJOKCLT-UHFFFAOYSA-N 476.589 1.913 30 10 JDEE CCOCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1502986266 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C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCC1(F)CCC1)[C@@H]1CCS(=O)(=O)C1 1507627824 UDGZPQZXOMHSIP-UTKZUKDTSA-N 454.568 1.839 30 10 JDEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCOCCOC)[C@@H]1CCS(=O)(=O)C1 1507630565 CFWWDWBUSKZRJT-QGZVFWFLSA-N 457.556 1.716 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507634098 IYBPDDODANJZLY-IBGZPJMESA-N 493.655 1.846 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2Cc2ccc(C(N)=O)nc2)CC1 1507742051 AAQGIKXWKVMYIL-UHFFFAOYSA-N 471.565 1.685 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1507753527 OFMIVUBIVNJDOB-UHFFFAOYSA-N 470.599 1.939 30 10 JDEE C#CCSCCn1c(C2CCC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1507756269 YSVKMPNHDPSTTG-GOSISDBHSA-N 453.634 1.543 30 10 JDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507941381 FJXZYHHSWYBYLC-UHFFFAOYSA-N 472.571 1.835 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1508093956 WXTBYVLTEFBTNW-UHFFFAOYSA-N 459.639 1.692 30 10 JDEE 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C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNC(=O)c2cccs2)CC1 1690396525 FIQGSVODAINAMM-CQSZACIVSA-N 452.606 1.782 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccnc(C)n2)CC1 1690464852 LZXZOEZKOUWFDB-IBGZPJMESA-N 490.634 1.392 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1690654953 AXNDWDOESFUSKO-UHFFFAOYSA-N 471.587 1.149 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690682377 MRMDTGJPULRQKV-SFHVURJKSA-N 474.587 1.360 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1690714723 SKZSLEGMWVWQLK-UONOGXRCSA-N 465.498 1.271 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1690724280 LKKNGVLAFTWGBB-IBGZPJMESA-N 465.620 1.959 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCC[C@H]2CO)CC1 1690840409 MSLBZFZUDSAETO-QFIPXVFZSA-N 451.575 1.722 30 10 JDEE CC[C@@H](C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1693948276 HPULBNOGTMGCAB-JPYJTQIMSA-N 490.630 1.998 30 10 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1.526 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(CCO)Cc1cc(Br)ccc1F 1705902394 DDDTZTHKDHLUCN-AWEZNQCLSA-N 482.354 1.985 30 10 JDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1 1710972162 DEDYIHPKMQRURE-PMACEKPBSA-N 464.574 1.071 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCS(C)(=O)=O)CC1 1722440921 GVTVSWDLRXHSHI-KRWDZBQOSA-N 466.608 1.150 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCOC2)CC1 1722449054 FKADYLCXLDEGDH-INIZCTEOSA-N 456.572 1.272 30 10 JDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722625339 RGWKKLWRFIROKE-NQIIRXRSSA-N 454.579 1.317 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1722701108 GKNPEUFVDWWLEL-SIKLNZKXSA-N 468.602 1.531 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1722729748 WBBJQMKMTUUWGW-OAQYLSRUSA-N 450.536 1.605 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccccc1 1740639996 HTTACGKOSRLKLM-PMACEKPBSA-N 457.556 1.072 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccc(F)c1)N(C)C 1740646315 VMXBLCOTCVCOIU-YLJYHZDGSA-N 460.579 1.793 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1740694216 CKEBTVRSMVXYHN-MOPGFXCFSA-N 452.550 1.631 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCC[C@H](C)C1)C1CC1 1740910019 GMGUBTGTVMARBC-BJLQDIEVSA-N 466.652 1.886 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCS(=O)(=O)C1 1740919507 IOXZTQWGKKEPAZ-HOTGVXAUSA-N 485.607 1.655 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1740952017 RXMDGYAUENOMJA-JKSUJKDBSA-N 486.602 1.451 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1740957600 TZGXKDKEZGPNJA-UHFFFAOYSA-N 483.964 1.884 30 10 JDEE Cc1noc(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1742881510 ICRJLMCNTDZDJX-FOIQADDNSA-N 485.570 1.991 30 10 JDEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1748330075 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C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1760249512 NCQYUVDRGFXRJU-MOPGFXCFSA-N 495.646 1.913 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1760280536 GOQXTLYGSAZPBC-GOSISDBHSA-N 467.661 1.630 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCn2nc(C)nc2C1)C(C)C 1760490205 RPKNICVLODATOP-WOJBJXKFSA-N 488.662 1.799 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760518325 QIMLEIZXQZJKET-LJQANCHMSA-N 450.952 1.311 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H]1CCN(Cc2ccccc2)C1 1760521128 KCBIDURAVZIXBW-WOJBJXKFSA-N 451.575 1.490 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1760522293 QFLFKESSVSIVOM-QRVBRYPASA-N 491.637 1.808 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1760523176 OIVOLUKXRXRHFE-RDJZCZTQSA-N 461.592 1.402 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1760526377 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30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1595595679 XWRYUIGDZCEBDJ-UHFFFAOYSA-N 485.589 1.798 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1595601996 CTLBLLGIQHUGFV-QHCPKHFHSA-N 478.594 1.678 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1595806011 ZGUQRTOSFARDBU-IPMKNSEASA-N 482.603 1.723 30 10 JDEE CN(C)C(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1617594691 GKQDAUBLYTUZNS-UHFFFAOYSA-N 484.992 1.844 30 10 JDEE CS(=O)(=O)N1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](F)(C#N)C2)C1 1620168439 GGRRIGCHPFIXTR-UWJYYQICSA-N 473.534 1.452 30 10 JDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@]1(O)C[C@H](OCC)C1(C)C 1635725738 GLIHCGYSAGZEOV-SGXKBVARSA-N 451.589 1.966 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNS(C)(=O)=O 1689850908 JDZKMISGHIOONF-SJORKVTESA-N 468.624 1.790 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1689978422 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C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1690659621 YKHGYKXEINWBKZ-HXUWFJFHSA-N 458.538 1.808 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690721100 XLZCREMLJGATTI-UHFFFAOYSA-N 490.605 1.429 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](c3ccnn3C)C2)nnc1[C@]1(OCC)CCOC1 1690731524 KTNPNMWAZBXQDQ-GCJKJVERSA-N 478.619 1.649 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)OC(C)(C)C1 1690746546 CIRNFNLMVUDBQM-HOTGVXAUSA-N 459.638 1.534 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCCS1(=O)=O 1691001320 HCZKDZNRSNEMIB-KRWDZBQOSA-N 454.560 1.762 30 10 JDEE CC(C)NC(=O)CCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1692549147 HPFMWDYLCBBRCF-UHFFFAOYSA-N 459.558 1.844 30 10 JDEE Cc1nc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)sc1C 1692948933 BTQQHQRAEQDSIU-IUODEOHRSA-N 453.594 1.471 30 10 JDEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)n(C)n1 1693404736 CCBXQPPBCACNOW-UHFFFAOYSA-N 498.613 1.679 30 10 JDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1696891662 FGCQOXMMHLWKEQ-UHFFFAOYSA-N 459.576 1.107 30 10 JDEE COC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)OC 1697761634 BIJMEXLCZAGFBF-AEFFLSMTSA-N 457.510 1.228 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CC(=O)N2CCOCC2)c1 1705505279 KWKSZLSFJVZAHF-UHFFFAOYSA-N 462.510 1.762 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1705564046 KAMFHQOYKRVRQI-HXUWFJFHSA-N 464.551 1.308 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1705568714 UDZUIMBSRANYNT-SFTDATJTSA-N 473.647 1.641 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1705626946 OLIWUYAWIXWMHH-LJQANCHMSA-N 477.569 1.676 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2Cc2ccc(C)n(C)c2=O)n1 1705632007 UVCQIDFNBKVMHU-UHFFFAOYSA-N 474.569 1.822 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1705643746 QWCLDLLWNYPJMG-VWPQPMDRSA-N 484.576 1.241 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC[C@H]1CCCO1 1705675100 XSKARCWKRQIXDQ-WOIUINJBSA-N 481.619 1.189 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1705695845 CQAMAFXCUGZJLK-TVFCKZIOSA-N 484.623 1.584 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705898918 CADLXKKBKLBXRP-UHFFFAOYSA-N 466.521 1.820 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1705904676 UXIXYPJKBGRIBL-NZSAHSFTSA-N 490.605 1.892 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1705906381 CCNWRRXZNAJFJR-NRFANRHFSA-N 491.390 1.884 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705931191 IMAGKJZWZZFJGZ-GOSISDBHSA-N 489.598 1.764 30 10 JDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1711302141 DZUVPPIQSUWFAE-WMZOPIPTSA-N 453.547 1.130 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 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C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(F)cn2)CC1 1722726763 FDWSYKHJNMZLJL-UHFFFAOYSA-N 460.539 1.140 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)F)CC1 1722751787 VDMATLDMZUWBDB-UHFFFAOYSA-N 450.515 1.805 30 10 JDEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC 1729969761 GNOWHWPVYPYFSO-QKKBWIMNSA-N 479.534 1.848 30 10 JDEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1740628542 YPYZJQHMNYZYAB-IBGZPJMESA-N 473.603 1.115 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1740629416 MSOXJMZHSVQKIA-ZWOKBUDYSA-N 477.587 1.536 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740710915 DPRFQEWNJVMQCH-SJLPKXTDSA-N 478.596 1.075 30 10 JDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1740943155 SFXRUVFJNOGFIX-UHFFFAOYSA-N 467.555 1.931 30 10 JDEE C=CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1740947896 KQOXLPBXJQZUCG-BRWVUGGUSA-N 494.643 1.946 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740985580 JCXVOPBXBVWQKJ-QGZVFWFLSA-N 453.609 1.468 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740988574 JJLCCMKCOPIOBU-GOSISDBHSA-N 492.627 1.183 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1740994187 JYLCFMOGXHZUIJ-PZJWPPBQSA-N 487.626 1.730 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748814228 BGQNITVFRZFDGA-VAMGGRTRSA-N 451.637 1.775 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)cc1C)[C@@H]1CCS(=O)(=O)C1 1748818041 UWJMHOKTBZAADM-UYAOXDASSA-N 494.614 1.497 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1748823967 GIVRVCWNELSVDR-INIZCTEOSA-N 476.559 1.831 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(OCC2CC2)c1 1748892681 UXCAYIDPVDBUII-NRFANRHFSA-N 498.609 1.306 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)N2CCc3ccccc3C2)CC1 1748972716 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C=C[C@H](COC)NC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1469894367 HNJFWZLGGFUSPX-NJAFHUGGSA-N 451.568 1.765 30 10 JDEE COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1CCS(=O)(=O)c1ccc(C#N)cc1 1473451660 CVFIHBPTDKNXQI-SFHVURJKSA-N 451.545 1.816 30 10 JDEE C=CCN(C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1476216559 IMLLPAOPBQAAIQ-CQSZACIVSA-N 450.966 1.970 30 10 JDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1503256739 CCOHPTXEXJEPAO-IBGZPJMESA-N 456.572 1.843 30 10 JDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1503256742 CCOHPTXEXJEPAO-LJQANCHMSA-N 456.572 1.843 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1503406242 GOQVLNNDDDTNTE-HXUWFJFHSA-N 458.588 1.961 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCN(C(C)=O)CC1 1507545712 AEZJMFAUBFFELT-RLLQIKCJSA-N 473.622 1.671 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(N(CC)CC)nc1)[C@H]1CCS(=O)(=O)C1 1507630624 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C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@H](COC)C1 1508072223 IEZMPQSPNHEHIK-HNNXBMFYSA-N 480.363 1.870 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](C(=O)NC)C1 1508075519 WGUQYERINJDBIL-CYBMUJFWSA-N 464.368 1.311 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCC(S(C)(=O)=O)CC1 1508094563 OXYPUBFEWIRBOD-UHFFFAOYSA-N 479.628 1.895 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1508094983 KHXQCXHHEGLISQ-AXHZCLLHSA-N 455.559 1.975 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1508142284 BBHOJNKHVMHJCS-UHFFFAOYSA-N 474.543 1.472 30 10 JDEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(C)(C)O)C[C@@H]2C)CC1 1508278067 ZYYSLIYLGQWWBQ-AVRDEDQJSA-N 465.602 1.967 30 10 JDEE CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1516946707 HLARXWBNLIPNRX-NHCUHLMSSA-N 478.601 1.680 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1S(C)(=O)=O 1517124399 HWGACVPAMHGRPJ-MSOLQXFVSA-N 457.560 1.161 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)C1=O 1521081572 GUFNAVOLDCBLKG-KRWDZBQOSA-N 456.499 1.614 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)N1CCSCC1 1539016407 UHIWCGSDSFBEOW-VQIMIIECSA-N 477.612 1.627 30 10 JDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1539044401 AIOAUAQXXOVSDY-QFIPXVFZSA-N 471.650 1.549 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC(=O)N2CCOCC2)c1 1539045902 JHUOGKFNVVPGCK-LJQANCHMSA-N 452.515 1.045 30 10 JDEE C#CCCCn1c(N2CCC(N(C)S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539141428 UVQGUBDWLPPTPP-OAQYLSRUSA-N 453.609 1.592 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1539215496 DGSQWMYVJSTTPX-CABCVRRESA-N 474.518 1.205 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OC(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1539222903 YHUMIRXGQKUKEZ-RBUKOAKNSA-N 459.572 1.639 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539224253 DLKDLRWZKCUFQR-VWPQPMDRSA-N 486.642 1.390 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C1CCCCC1)N(C)C 1539415600 GBIUGRSNDILAJD-UXHICEINSA-N 451.637 1.777 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCCN2CCOCC2)CC1 1539461944 OJLQAJCOSQSRKE-UHFFFAOYSA-N 454.575 1.343 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(C)=O)C1 1539510501 JQVDVKQGVUKLIU-KRWDZBQOSA-N 465.583 1.663 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CN2CCOCC2)C1 1539615560 KAJDCIDZIKOHCE-WCIQWLHISA-N 482.651 1.028 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1540858238 NSUVNVVVBDASPI-ZWKOTPCHSA-N 499.540 1.976 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1540897611 OAMFLAXWHFCNMX-UHFFFAOYSA-N 494.662 1.492 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)OCC)CC1 1540900012 IRQUBVLJQHDFNM-UHFFFAOYSA-N 491.570 1.596 30 10 JDEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)C1 1554428283 GDMKNQQKQPAGEX-NHCUHLMSSA-N 481.601 1.538 30 10 JDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)CC1 1554556328 AUMIPRUSFYANTE-UHFFFAOYSA-N 458.544 1.530 30 10 JDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)CC1 1554558357 AVESNAYORGSTMS-FQEVSTJZSA-N 453.547 1.552 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)N(C)C2CC2)c1 1587692441 DSDCHFGBJPRWJH-PKOBYXMFSA-N 484.626 1.719 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCCN1C1CC1)[C@H]1CCS(=O)(=O)C1 1588024768 LBZGVAXVBHQNQF-MOPGFXCFSA-N 462.620 1.060 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(N2CCOCC2)nc1)[C@@H]1CCS(=O)(=O)C1 1588029692 KRKHGYDVDOIPFA-UYAOXDASSA-N 472.615 1.698 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CC(=O)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588064755 OPWKGPCZSYKBEZ-JOCHJYFZSA-N 492.605 1.549 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CC(=O)N1CCOCC1 1588604335 GUZRXYSZIONFNT-UHFFFAOYSA-N 480.338 1.792 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OCC(C)C)cc2)CC1 1588741664 GKWQRRWRAWMNGQ-LJQANCHMSA-N 474.631 1.727 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1588800567 KMSWQNZNFRITQI-OAQYLSRUSA-N 451.619 1.735 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1588930365 UGQUKPRXVCJBNP-UHFFFAOYSA-N 493.612 1.096 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC2(O)CCOCC2)CC1 1588946353 CPEBERURGPXKSD-UHFFFAOYSA-N 455.534 1.515 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCOC1 1589216143 KSBQGKBOWALYNH-IMRHEYAYSA-N 461.563 1.730 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1593834084 HYVQZBLJASBHEK-LJQANCHMSA-N 493.033 1.844 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2csc(CC)n2)C1 1595730069 SXISDTFBVICMKX-DLBZAZTESA-N 482.632 1.460 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1595796960 CFTQIQGLFUIMCC-NQIIRXRSSA-N 478.663 1.525 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1595812118 NPHWFUOSHNNVJP-INIZCTEOSA-N 450.590 1.087 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccccn2)CC1 1595812504 WLZCRCOAHWBEQI-UHFFFAOYSA-N 453.572 1.586 30 10 JDEE CCc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](CNC(C)=O)C2)s1 1613904088 GTYSADATEFIPED-KRWDZBQOSA-N 452.544 1.620 30 10 JDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1)C(=O)OCC 1622450594 VKMCBNMCIHPFLF-FZKQIMNGSA-N 459.908 1.102 30 10 JDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)cc1C 1626897103 GQGNFEOKWQQUST-KRWDZBQOSA-N 457.556 1.456 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CC1 1632961335 WFCXTLZYMYSANZ-PKTZIBPZSA-N 453.564 1.981 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1 1637796017 JNILQMBFWIQBMO-UHFFFAOYSA-N 451.545 1.613 30 10 JDEE C=CCCc1ccc(S(=O)(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)cc1 1661193737 HXDMERSEXZUJPV-FQEVSTJZSA-N 456.630 1.705 30 10 JDEE Cn1cc(CNC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)c(-c2ccc(C#N)cc2)n1 1686076919 GKFIRTONVADBFH-QGZVFWFLSA-N 459.553 1.654 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC2CCOCC2)c1 1689868417 GGVCOXFBZTVUJM-QGZVFWFLSA-N 488.614 1.761 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1689913847 WJRHOOHKKOEZDS-IRXDYDNUSA-N 452.625 1.680 30 10 JDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1689916192 BWDGWUUNVAYOBK-UHFFFAOYSA-N 468.558 1.549 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689984793 VMUPENUFLIMQEF-WIYYLYMNSA-N 487.626 1.929 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1689984795 VNGGOVMVWJFTJF-SFHVURJKSA-N 473.990 1.987 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccsc2)CC1 1690155757 NZKRXGWQNLKLSU-INIZCTEOSA-N 468.674 1.638 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1690309880 MRCQWJWCUFBWPQ-NRFANRHFSA-N 482.585 1.722 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C(C)C)CC1 1690313233 OGHIOHRZSZEPGT-KRWDZBQOSA-N 453.609 1.514 30 10 JDEE C=C(Cl)Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690354026 BOGZZYINOFAZFR-UHFFFAOYSA-N 462.913 1.676 30 10 JDEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690508426 IXHYMRRVBXEMIC-FXAWDEMLSA-N 477.587 1.853 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)CC 1690555995 KGCYOQUURPOTOK-GOSISDBHSA-N 461.588 1.860 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1690718969 CRKGKMCXNSMMSL-JKSUJKDBSA-N 464.979 1.651 30 10 JDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1695434955 BIQPJWAQRGMIOH-UHFFFAOYSA-N 475.557 1.858 30 10 JDEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)CC1 1695962170 CVYLYYFMLNOWQO-UHFFFAOYSA-N 453.547 1.818 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@H]2CCCN2S(C)(=O)=O)c1 1705505278 KUPLOPDBBVQIFH-OAQYLSRUSA-N 493.593 1.820 30 10 JDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCNS(=O)(=O)CC 1705550208 UVPOXSZYWGVCLF-UHFFFAOYSA-N 471.587 1.635 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCN(C)CCOC)[C@H]1CCS(=O)(=O)C1 1705563033 PKAJBINSWSJZFB-IBGZPJMESA-N 466.007 1.803 30 10 JDEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CC1(C(N)=O)CCOCC1 1705586170 XKNBNSYOQBJWGF-UHFFFAOYSA-N 486.370 1.975 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1cn(C2COC2)nn1 1705622885 YCMNKBGMJCBUFP-UHFFFAOYSA-N 475.351 1.343 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCOC1 1705623108 GURQAUOZQDCXAO-SFHVURJKSA-N 461.588 1.708 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1705641068 OWWPTQAVMARGKU-HXUWFJFHSA-N 466.586 1.128 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1705648025 PDZIRLNXEIOMNC-OALUTQOASA-N 455.607 1.315 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C)CN2CCOCC2)CC1 1705649534 ANJAGQYVWXGBRI-JOCHJYFZSA-N 478.641 1.997 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1705650511 SHXNSXLYPSOVLX-LJQANCHMSA-N 490.655 1.320 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1705906971 WCFRPHRVPNHPCH-UHFFFAOYSA-N 451.531 1.336 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705910597 HBSPPSFNULZIGW-RUZDIDTESA-N 495.584 1.844 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(C)noc2C)C1 1705925940 WJKSBLCVDKAHDQ-WMZOPIPTSA-N 466.564 1.045 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1705932207 OTNLMHZIKGYVBD-UHFFFAOYSA-N 484.630 1.613 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](CC)C1 1705936041 IMVPDUWGFYCALC-ZWKOTPCHSA-N 499.634 1.803 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C)CC1 1705946472 IUQIWUNSNIJLBJ-KRWDZBQOSA-N 463.633 1.524 30 10 JDEE Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)c(=O)n1C 1707494917 HUDRFZAGPQKDAF-FQEVSTJZSA-N 466.567 1.886 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@]1(O)CCN(C)C1 1708747874 BBFSOTFPNIQAQT-AREMUKBSSA-N 494.644 1.851 30 10 JDEE CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1709551376 GBNJEIFVRGKOSQ-LJQANCHMSA-N 459.572 1.762 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@](F)(C#N)C1 1711416841 DRAIXJPQHWSNOF-MRXNPFEDSA-N 457.329 1.699 30 10 JDEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCCS(=O)(=O)c2ccccc2)CCO1 1712884026 FEAUGDKOILKLPE-LJQANCHMSA-N 452.540 1.857 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CN1CCCCC1 1722296621 SPZFDLPTVLDGJP-FHWLQOOXSA-N 452.625 1.191 30 10 JDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1722336798 PLHGLGAIVKHEQQ-SOAGJPPSSA-N 455.607 1.460 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722357923 BAHNXVLPUIBMAF-RTWAWAEBSA-N 484.626 1.444 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722361708 JAQKGLSXAYRGII-WIYYLYMNSA-N 468.583 1.164 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1722363197 DMQFCDUXFGHMDI-XHSDSOJGSA-N 462.519 1.053 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1722368414 RCTKAVIEZKWPMH-RBUKOAKNSA-N 451.637 1.340 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)c(F)c1 1722413764 RGFBOHNUEZOTLS-GOSISDBHSA-N 453.515 1.591 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCNC(=O)C(C)C)CC1 1722438713 ZERICPKPHFAYAV-UHFFFAOYSA-N 476.585 1.110 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CCC)C1 1722509224 OCCYOAOJVHRBON-WTGUMLROSA-N 483.635 1.598 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722509387 OXMVOUMAWBMUKM-NZQKXSOJSA-N 460.623 1.439 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1722531192 PDUTVQCWIYYERK-UHFFFAOYSA-N 490.630 1.152 30 10 JDEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722533846 CUBPJDLGAZDTOI-UHFFFAOYSA-N 470.549 1.528 30 10 JDEE C=C(C)COCCn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OCC)CCOC1 1722538317 NQDQSVSWRGLLSX-SFTDATJTSA-N 454.593 1.538 30 10 JDEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722605050 SUBXIXSYCPNLOH-UHFFFAOYSA-N 453.526 1.700 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](CCOC)C1 1722688368 CLXDNQKOOCQQGK-KRWDZBQOSA-N 475.619 1.712 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1722695964 WNVXQLWVBDZVTM-DLBZAZTESA-N 450.551 1.142 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS[C@@H](C)[C@@H]1C 1722697491 MAJQYYBGDBTJIV-GJZGRUSLSA-N 463.633 1.871 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)OC(C)(C)C1 1722698122 UVDKFONOANLTMV-HNNXBMFYSA-N 451.531 1.498 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1722698928 PHYLQUPCPBHTFR-UYAOXDASSA-N 472.615 1.193 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccccc2C)C1 1722726209 YJTRAWZSLYDYEB-IBGZPJMESA-N 461.588 1.903 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1722726762 DYOKKTBHIVMJJU-QGZVFWFLSA-N 469.571 1.399 30 10 JDEE CSc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)ccn1 1731073792 AUMZOLATUJLMMV-DNVCBOLYSA-N 481.579 1.218 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(C)(C)O)cc1 1740550779 JUXKWRMITYFRPB-QFBILLFUSA-N 461.588 1.345 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CCO[C@@H]2C)c1 1740565541 WHVNYQGUNHVEFC-NHGJLWFOSA-N 483.569 1.598 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1740619153 MMVBJAVWQFHNPF-ZBFHGGJFSA-N 482.404 1.709 30 10 JDEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(CS(C)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 1740622668 GISPTVOKORLJQP-LJQANCHMSA-N 462.597 1.375 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740623155 PGAGRTDJXJFAFA-MSOLQXFVSA-N 490.630 1.609 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1740624623 IVESQDKBZSXYEJ-TUNNFDKTSA-N 457.600 1.952 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740627234 ZHSAQIGFOGWJNZ-NFBKMPQASA-N 485.654 1.772 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-c2nc[nH]n2)cc1 1740773930 HQFWSAMFYKBZSO-LJQANCHMSA-N 486.602 1.847 30 10 JDEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1740840856 CHWJEZRHQFXSDB-FQEVSTJZSA-N 465.601 1.222 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1740993300 WOHSWCBEHACPFB-QGZVFWFLSA-N 473.020 1.746 30 10 JDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1748756423 LUJLKMUVXDYHSF-HXUWFJFHSA-N 458.588 1.308 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1748802846 SHQLKPFISCKWMH-SFHVURJKSA-N 497.687 1.735 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1748808477 CSLPWFKOUOEIIY-INIZCTEOSA-N 462.963 1.146 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1748818337 AOAQQSZWXLRJCO-VXKWHMMOSA-N 486.642 1.247 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1748823990 GRUBRGYOZPOSEH-SFHVURJKSA-N 491.589 1.785 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCOC[C@H]2C)CC1 1748971696 YYUVDTXDQWABIE-OAQYLSRUSA-N 465.602 1.623 30 10 JDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749032311 CAKFISKNKSTIOH-QFIPXVFZSA-N 453.572 1.829 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(CC)CCS(C)(=O)=O 1749118951 LMLMYWRFWJWPFH-AEFFLSMTSA-N 462.576 1.778 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1749666511 MNQOMJZAYPUTIL-UHFFFAOYSA-N 459.554 1.974 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(O)(CCC)CCC)[C@H]1CCS(=O)(=O)C1 1760179484 SCRYSMHSRMEPDR-SFHVURJKSA-N 465.620 1.472 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](C)N1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1760182159 HLKQPTOVOWUUDD-AQNXPRMDSA-N 450.653 1.444 30 10 JDEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1760188177 MZDPOWQGQJEEBS-HXUWFJFHSA-N 487.630 1.505 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1760189650 QLYYQWAJOQNQLP-LJQANCHMSA-N 452.540 1.907 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1760190719 UTKRVWYFNAFACF-LPHOPBHVSA-N 464.661 1.991 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1760254014 LTNCQIMVZSCGPE-QGZVFWFLSA-N 463.517 1.855 30 10 JDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760284079 GUVGFSLBOMXNFS-UHFFFAOYSA-N 453.616 1.375 30 10 JDEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760304786 GUAOAGUUTWNXDP-UHFFFAOYSA-N 460.380 1.993 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1760334455 ATMFKFZTKGPLHC-UHFFFAOYSA-N 472.571 1.936 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)OC)CC1 1760515770 ZFCNHTZMZMXUNI-UHFFFAOYSA-N 455.519 1.338 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2c(F)cc(F)cc2C1 1760548723 NVMTTXPGXSHXQW-UHFFFAOYSA-N 465.526 1.956 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1760549455 FAGKQBWWUOTMQD-GOSISDBHSA-N 474.587 1.072 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760554756 LXSXPJYHAXGKBG-UHFFFAOYSA-N 487.561 1.196 30 10 JDEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)C1 1769170721 DFENTUBHFGGXLM-FNVCAUGXSA-N 454.531 1.231 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-n1cccn1 1772564714 XECJHNIYNPXOOK-IBGZPJMESA-N 457.560 1.467 30 10 JDEE CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1 1858335933 QAVCVIDFYHMVLY-QGZVFWFLSA-N 462.553 1.002 30 10 JDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cccn(Cc4ccccn4)c3=O)CC2)CC1 1889508581 HXAYHLSQVJYGTL-UHFFFAOYSA-N 463.582 1.164 30 10 JDEE COc1ccc([C@H]2[C@@H](C(=O)N3CC(Oc4cccnc4C#N)C3)OCC(=O)N2C(C)C)cc1 1891422017 BDOPILJYBIBQIC-GOTSBHOMSA-N 450.495 1.929 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Oc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2224131287 PWKGKNICZZDMQV-HUUCEWRRSA-N 454.354 1.450 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CCO1 2255811448 JHSIJPYVUSBFJJ-ZDUSSCGKSA-N 453.370 1.808 30 10 JDEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255826152 LPXZLGUVSMRQDE-KGLIPLIRSA-N 452.386 1.790 30 10 JDEE CN(C[C@H](O)CN(C)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255844099 QLBXJAUGIPWHHX-CYBMUJFWSA-N 455.386 1.742 30 10 JDEE CC(C)(C)OC(=O)NCCOCCC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256620735 MAHZCUUEBQXSPH-UHFFFAOYSA-N 455.386 1.990 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@]1(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256629035 PNUXYFXEGGODGH-JEOXALJRSA-N 454.358 1.128 30 10 JDEE CN(C)CCN(CCNC(=O)OC(C)(C)C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267096926 MAGLLLNQOKHUFT-UHFFFAOYSA-N 451.377 1.237 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]2(CF)CCN(C(=O)OC(C)(C)C)C2)n1 2267182078 AZUYIFYEZQFKFU-NRFANRHFSA-N 452.336 1.798 30 10 JDEE Cn1nc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282058478 VCXVOMODAWTSKF-STQMWFEESA-N 484.790 1.330 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@](C)(CO)C1 2282186797 ZMDYHDKBNCCPBC-QHCPKHFHSA-N 461.368 1.825 30 10 JDEE C[C@@H]1[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCCN1C(=O)OC(C)(C)C 2282350028 HEMGIKFNLVATEN-CABCVRRESA-N 484.428 1.786 30 10 JDEE CC(C)(C)OC(=O)N1CCN(NS(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)CC1 2282497380 OWOITGDNQRBJSE-UHFFFAOYSA-N 485.387 1.871 30 10 JDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)n1C 2282513142 YEIHNJKMYSVQOS-CABCVRRESA-N 482.412 1.410 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](S(C)(=O)=O)C1 2282533300 JLKAAEANXJFUBI-LSDHHAIUSA-N 484.380 1.341 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](C(=O)O)[C@H](C)OCc1ccccc1 2284429784 KERPLFAAKAMAIM-MAUKXSAKSA-N 457.336 1.991 30 10 JDEE C=CCNC(=O)CN1CCN(c2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])CC1 14279794 ACMVQJBOCNNFAK-UHFFFAOYSA-N 458.269 1.698 30 10 JDEE O=C(CSc1n[nH]c(N/N=C/c2ccco2)n1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 20832897 RXAOHGJRGORJAP-UDWIEESQSA-N 491.555 1.595 30 10 JDEE NC(=NO)c1cccc(-n2cnc(I)c2I)n1 310307688 SDUKXGDWGJVNDQ-UHFFFAOYSA-N 454.997 1.571 30 10 JDEE C#CCn1cc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)cn1 1156661752 HISPHJGSEMQNGE-GASCZTMLSA-N 450.948 1.898 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1286394035 NMJROUDZAYJRBJ-FQEVSTJZSA-N 457.575 1.897 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](C)CN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1286395149 QXFOHUZRQSJILD-SFTDATJTSA-N 464.680 1.377 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2Cc2cc(C)on2)n1 1286470107 PPUXMTHKLHZKED-UHFFFAOYSA-N 452.519 1.342 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2c(C)nn(C)c2C)CC1 1286487744 XPYIGMCERAYYMV-UHFFFAOYSA-N 475.557 1.290 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2cnn(C)c2)CC1 1286493371 GRDDSUAOMSHMOT-UHFFFAOYSA-N 461.570 1.820 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1286495843 GSLXQRNOMBIWLX-HOTGVXAUSA-N 482.607 1.837 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1286628807 KQCHXRCJEYHEFR-IRXDYDNUSA-N 460.000 1.555 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1286793803 MJYQVMYTJXQMLZ-QKNQBKEWSA-N 460.623 1.657 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(c2ccccc2CO)CC1 1286814233 NWINESNDTAIAGD-UHFFFAOYSA-N 475.615 1.893 30 10 JDEE CC1CCN(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CC1 1291182227 HRUNRXHAAHSKET-OAQYLSRUSA-N 493.678 1.863 30 10 JDEE C[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1291295822 DLLNCUNZKPTFIZ-FUHIMQAGSA-N 458.588 1.959 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2Cc3c(C)cccc3N2C(=O)OC(C)(C)C)CC1 1292889509 CUZWLWZPUSXTQK-OAQYLSRUSA-N 454.571 1.945 30 10 JDEE CCCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1294906969 DDAQUQPKYOROIN-UHFFFAOYSA-N 479.564 1.774 30 10 JDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2snnc2C)CC1 1297746961 FXJHPSLVWDZLFJ-UHFFFAOYSA-N 472.600 1.933 30 10 JDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1299321329 BBYCJZYLNOANSR-KXBFYZLASA-N 460.560 1.282 30 10 JDEE C#CC[C@@H]1CCCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1299853245 QTEQPDXBACCKSB-RHSMWYFYSA-N 459.490 1.880 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCNS(=O)(=O)CC 1300276771 QWTXUZADSXTZMI-CYBMUJFWSA-N 457.398 1.833 30 10 JDEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)(=O)CC1 1300364741 MKESDGLRTPUHQN-KRWDZBQOSA-N 467.592 1.625 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1300479381 NETDFUGKWSIOIK-OALUTQOASA-N 463.604 1.490 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C)C1=O 1300676333 MPBPAXLBPUHWTO-GAJHUEQPSA-N 460.579 1.914 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCN(C)C(=O)OC(C)(C)C)CC1 1300683942 UMULKWAPTLGQPN-GOSISDBHSA-N 450.584 1.624 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCNC(=O)c2ccc(C)cc2)CC1 1300707600 GLOZRLSBWJBBOM-UHFFFAOYSA-N 491.621 1.763 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1301036447 CWUKZRUTNNFNDB-GOSISDBHSA-N 464.014 1.752 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1301222703 DIRGVWAUZXOLII-SFHVURJKSA-N 487.586 1.862 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)O[C@H](C)C1 1301509925 QJZUKGOMEWSYPO-NHCUHLMSSA-N 467.618 1.559 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](CC(N)=O)C1 1301568025 BSPANUDQWFUAOL-CQSZACIVSA-N 499.435 1.739 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C#N)C1 1301575587 JDTWHEXGCKSRIG-MRXNPFEDSA-N 453.471 1.876 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(NC(=O)N(C)C)cc1 1303822757 FJKPWQNWPXIPFV-OAHLLOKOSA-N 474.591 1.770 30 10 JDEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)C1 1306496647 AQTHLNUHWVXIIQ-GOSISDBHSA-N 459.576 1.251 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 1358902402 NEZKUPCDYPTEJH-KRWDZBQOSA-N 456.572 1.493 30 10 JDEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1358934207 TYIRCPUGNREQRX-LJQANCHMSA-N 464.570 1.715 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1358957563 VXNLMMLOZLGEDG-KNQAVFIVSA-N 476.603 1.151 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358959414 ILXQKSSPPJSFMD-AZUAARDMSA-N 473.599 1.301 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCOC[C@@H]1OC 1358987330 CCNMJRYIBJVYRO-FPOVZHCZSA-N 456.568 1.863 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCN(C)S(=O)(=O)CC 1358992151 BLLJOZHVLFNZKP-UHFFFAOYSA-N 460.560 1.140 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCCC)nc1 1358994953 ZULHVXBETDHSQF-FQEVSTJZSA-N 486.598 1.306 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCc2nnc(C)s2)CC1 1359039988 DJOPJLVRNBHRKY-UHFFFAOYSA-N 470.603 1.273 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1359048098 FJEGGMMJFTZEGI-SFHVURJKSA-N 454.604 1.776 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1359075669 BQFYSYYEPJUFJY-NSHDSACASA-N 467.290 1.830 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(COC)CCC2)CC1 1359164982 DPVHHGPLHTWJHK-SFHVURJKSA-N 453.609 1.974 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1359240854 YRMMEFRHOWLMNT-GOEBONIOSA-N 466.633 1.863 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1359296790 USUGWJUUOYZKAK-DEOSSOPVSA-N 481.557 1.750 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1359299309 BNDUGCLSFWGMLO-MAUKXSAKSA-N 462.576 1.667 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(C)=O)C[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359305835 OKTFZRSRDQNOMT-NXHRZFHOSA-N 475.594 1.408 30 10 JDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)NC)C1 1359310841 IKXSJBRWHDUPCS-LJQANCHMSA-N 452.559 1.976 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1359327057 QSYQVACGJFDCEZ-RTBURBONSA-N 466.652 1.525 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359328883 QKPRUSBJRSMOAR-UHFFFAOYSA-N 483.598 1.695 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncccc2F)CC1 1359331800 IKFAVIMVAWQVKD-SFHVURJKSA-N 464.567 1.981 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCCCC1 1359473650 FZSYLMJMXDVLLA-MSOLQXFVSA-N 467.640 1.471 30 10 JDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1359929447 GIUTXRKYGFDPQK-MRXNPFEDSA-N 467.621 1.882 30 10 JDEE C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)N(C)C 1360568006 AYSMXPFPCBJLPM-PGRDOPGGSA-N 499.641 1.726 30 10 JDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)F)CC2)c1C#N 1467232456 GFIQQZQRJGULLF-OAHLLOKOSA-N 455.510 1.980 30 10 JDEE COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1504892981 BYNZDSPQMRKLSY-IBGZPJMESA-N 460.560 1.094 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@]2(OC)CCOC2)c1 1507545821 BQTLYRPQACXURI-DEOSSOPVSA-N 466.542 1.376 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507626082 CTQVDJBILXBLGL-MRXNPFEDSA-N 463.560 1.998 30 10 JDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1507642051 OOCWTSSLVMSMFN-PXDATVDWSA-N 467.570 1.978 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)cc1 1507672151 VDSWNSMHZBGXHN-HXUWFJFHSA-N 453.568 1.382 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1507720669 MIZCVSSCPQRJJA-HXUWFJFHSA-N 494.415 1.012 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(-n3cncn3)c2)CC1 1507733672 HSZJYAHWTURVOP-UHFFFAOYSA-N 475.557 1.011 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(CC)cc2)CC1 1507735514 BKSBLYSHPCKRJB-GOSISDBHSA-N 486.642 1.659 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOC)[C@H](C)C1 1507747191 FYAUDRCKRVMZBX-GOSISDBHSA-N 477.656 1.872 30 10 JDEE C=C(Br)Cn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1507792073 DJVPZCJDSMIGIJ-LJQANCHMSA-N 480.367 1.426 30 10 JDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1507847300 JNMXLLLTUJLIGK-NRFANRHFSA-N 459.639 1.598 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2c1OCCCO2 1508019232 KMXNYNXIQVWXOA-FQEVSTJZSA-N 489.598 1.999 30 10 JDEE C=CCNC(=O)Cn1c(N(C)C[C@H]2COc3ccccc3O2)nnc1[C@]1(OCC)CCOC1 1508097889 LXMFRPZJWMXXKA-SBUREZEXSA-N 457.531 1.509 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1508132194 VXFQRCMKTPXBBF-GOSISDBHSA-N 488.614 1.506 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1508141335 MLLYWMZSZYXJTF-CVEARBPZSA-N 479.632 1.170 30 10 JDEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCSCC2)CCO1 1521120977 DSMUGYPOJYQHQE-CQSZACIVSA-N 452.382 1.813 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539206626 SOEHLYYUCYWQDG-FPOVZHCZSA-N 457.600 1.921 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1539229478 DVJLYGALJPAQDM-AUSIDOKSSA-N 455.584 1.168 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCCN2CCOC2=O)CC1 1539434195 CEZYJONKCAOJPE-UHFFFAOYSA-N 484.557 1.568 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1539476971 ILSUMLJVKCFTTA-KDURUIRLSA-N 466.590 1.200 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@]23CCC[C@]2(COC3)C1 1539573586 AWPTWNNQNJJWHQ-IAOVAPTHSA-N 460.398 1.804 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CN2CCOCC2)C1 1539615555 KAJDCIDZIKOHCE-HAGHYFMRSA-N 482.651 1.028 30 10 JDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1539966344 ISDDBXDQUAZGPB-SFHVURJKSA-N 472.619 1.777 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sccc1C 1540201502 WFWMIEUDFJGRPW-INIZCTEOSA-N 455.606 1.668 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1540863278 SJUMYPYNOKPRQG-STQMWFEESA-N 456.519 1.666 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1540907014 JFOSGNCJCGNTFL-JOCHJYFZSA-N 472.571 1.292 30 10 JDEE CC(=O)N1CCN([C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(C)(C)O)C[C@@H]2C)CC1 1541003911 WIJFDKOJEAMIFS-AVRDEDQJSA-N 481.601 1.488 30 10 JDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1541686998 BXQKUBFFIISHKJ-UHFFFAOYSA-N 473.603 1.592 30 10 JDEE CO[C@@H]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1555135512 FMISKFXIFWIRBR-RTBURBONSA-N 452.563 1.825 30 10 JDEE C#CC[C@]1(C(=O)NCC(=O)NCC(=O)NCc2ccccc2)CCCN1C(=O)OC(C)(C)C 1584137448 RUKINEZPIAFUKN-XMMPIXPASA-N 456.543 1.328 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CC(=O)NCC(F)F)c1 1587690043 XNXFHXNJXLKRIB-UHFFFAOYSA-N 453.453 1.778 30 10 JDEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1587878616 CCTJHGADNMROGH-QFIPXVFZSA-N 470.643 1.680 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1588053971 JHPYQXMTHXNWNC-PMACEKPBSA-N 458.584 1.968 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(O)CCN(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1588064998 QVSYEJHUGWRHJV-OAQYLSRUSA-N 486.642 1.126 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(COC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1588065479 ZLRNTXYTNPMVSZ-FQEVSTJZSA-N 473.599 1.334 30 10 JDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(=O)(=O)CC=C 1588309726 BGNIYDOYYWBGEF-UHFFFAOYSA-N 450.590 1.299 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCSCc2ccccc2)CC1 1588743272 YZXKANZAEJFABT-GOSISDBHSA-N 462.645 1.577 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2ccccc2)CC1 1588890871 HGZMOMBTCQNDAW-GOSISDBHSA-N 472.615 1.487 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2(S(C)(=O)=O)CCC2)CC1 1588913650 OYYCINXFFNUMKY-UHFFFAOYSA-N 458.588 1.217 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1589443082 LFTZLXXZPLBEER-HOTGVXAUSA-N 483.411 1.677 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1589560001 WJBQVLIOBBRKDY-ZVDOUQERSA-N 460.604 1.763 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1593746751 MCFOMPTXEWZLJS-QGZVFWFLSA-N 468.624 1.403 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1593884185 DSDJQDLMIGYNEL-KBPBESRZSA-N 487.932 1.911 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1595467671 YGWPCGCTWIWYLV-UHFFFAOYSA-N 467.574 1.289 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(NC(=O)COC)CC1 1595507138 XNFDTAWZOVECFU-UHFFFAOYSA-N 476.965 1.641 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1CC1(C(N)=O)CCOCC1 1619899658 DTWJLQSMYJJTJE-HXUWFJFHSA-N 468.558 1.589 30 10 JDEE C=CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1)C(=O)OCC 1633796777 IBFOTPGZMSSHPT-QGZVFWFLSA-N 452.529 1.498 30 10 JDEE C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1=O 1654599885 FIPLYTUKXKWGOR-MGPUTAFESA-N 458.515 1.844 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1689851400 QCHURIIEXFMRSG-PWRODBHTSA-N 470.643 1.849 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689989686 HXHPKIXXJGKCGV-ZRSRNVLSSA-N 484.644 1.011 30 10 JDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCC(CO)CC2)cc1 1690025461 RHEYMQYKQTXQET-UHFFFAOYSA-N 460.582 1.730 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc3cccnc23)CC1 1690112221 RQHQRDGVKWELFL-KRWDZBQOSA-N 453.572 1.240 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCNS(=O)(=O)CC)CC1 1690119880 WJUPYUOHPAUELQ-UHFFFAOYSA-N 481.420 1.402 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1690122218 KSBRMHWBMLNNPI-RTWAWAEBSA-N 451.575 1.296 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1690155544 LAPYECKDUPXQJS-SJORKVTESA-N 478.648 1.150 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1690509208 ZPWMRFYOXZLBPW-LJQANCHMSA-N 480.635 1.501 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(F)(F)C1 1690663393 VEGLNHQFWCKVRA-UHFFFAOYSA-N 454.503 1.343 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1690675194 RRSXIOGDAPXLJZ-KRWDZBQOSA-N 455.538 1.557 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690717864 SKAOADRJHLADFI-HXUWFJFHSA-N 451.556 1.594 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690720418 IKWYJCIDTVJCNN-MRXNPFEDSA-N 468.601 1.568 30 10 JDEE C[C@H]1CN(CCN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)C[C@@H](C)O1 1693873911 DMEZYCHNSBFDLF-PBQROFAYSA-N 484.601 1.814 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCCS1(=O)=O 1696688977 BDPIRMUVBPFEJY-IBGZPJMESA-N 456.572 1.876 30 10 JDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N2CCOCC2)nc1 1696838620 CSKDARLMGFBDKM-UHFFFAOYSA-N 481.582 1.577 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1705559685 ATDLAXAJBNTSGI-IBGZPJMESA-N 491.639 1.071 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1705560691 JHRBZPPEYOIKAD-LJQANCHMSA-N 498.609 1.988 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(N(C)C)CCSC1 1705576120 GQLFLCFVAWCNHH-HSZRJFAPSA-N 486.667 1.706 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CS(C)(=O)=O)cc1 1705612551 IXUZKTPWPLEPTE-GOSISDBHSA-N 450.586 1.233 30 10 JDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C(N)=O)cc1 1705626820 KCSGRVRRVNBBNL-UHFFFAOYSA-N 481.582 1.471 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CCn2cncn2)CC1 1705642188 JZGNLGWTDYQAOW-UHFFFAOYSA-N 471.363 1.667 30 10 JDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705741438 PMLQGINSDPHJNO-HBMCJLEFSA-N 476.622 1.338 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1705898731 WCDVSBVXYNNMLL-ICSRJNTNSA-N 484.601 1.812 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705900984 WTQVRERHZFXBQG-GOSISDBHSA-N 498.613 1.199 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1705903602 YQOVJYHLPMXZHT-INIZCTEOSA-N 460.608 1.953 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705905310 QUKHIGKQHSQNEX-UHFFFAOYSA-N 481.022 1.685 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1705906808 PPUOHTABTHGKIM-UHFFFAOYSA-N 454.531 1.274 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)N1CCSCC1 1722281438 NKKLSVYFMZWGFT-INIZCTEOSA-N 497.668 1.185 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(CN(C)CC)c1)[C@H]1CCS(=O)(=O)C1 1722369265 ZTUQLOVPSYPJIM-YADHBBJMSA-N 471.627 1.909 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1722372202 QYKYXLOJQYEHEF-UXHICEINSA-N 461.636 1.497 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2nc(C)cc2C)nc1 1722373808 QZRGWXCRGYFSSD-SFHVURJKSA-N 466.571 1.207 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CCNS(=O)(=O)CC 1722375026 IWMSPUCDWRARDZ-UHFFFAOYSA-N 480.388 1.728 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(OCC)c1 1722413309 KIRPMCFOIJBMSA-HXUWFJFHSA-N 477.587 1.526 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CC1 1722426500 JOFBTCYIJVVSFQ-FQEVSTJZSA-N 473.599 1.429 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1722441683 NVBOCCJXOFFMBF-HXUWFJFHSA-N 487.626 1.836 30 10 JDEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1722684339 KOKBHSYHGACXJU-UHFFFAOYSA-N 474.949 1.301 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(c2nc(C)ns2)CC1 1722696831 FKYVTYGDULZTJH-UHFFFAOYSA-N 453.576 1.827 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccccc2)CC1 1722697999 AXXWEGOFKULAPN-HXUWFJFHSA-N 488.614 1.297 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1722699825 NHKXARXPKUFYHN-HXUWFJFHSA-N 453.522 1.721 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1722705162 AVNMLOJXHILCKM-SFHVURJKSA-N 453.503 1.737 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2sccc2C1 1722728644 SRARHGCVQPDYCP-HNNXBMFYSA-N 456.615 1.405 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1722729307 IWTDUWFJGOMKAO-QFBILLFUSA-N 480.660 1.392 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)nnc1C(C)(C)C 1722731212 GYIQLVCLFZSEMQ-LJQANCHMSA-N 480.679 1.699 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1722750757 OCUBMSRGFHFDMK-UHFFFAOYSA-N 492.627 1.326 30 10 JDEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1722774525 BKRYONHQHBIHIM-UHFFFAOYSA-N 460.560 1.222 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1740580992 MOKKOWRLGCKSNN-GOSISDBHSA-N 460.604 1.775 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@]2(CCOC2)O1 1740610771 LBWUCNMMAATHKB-IUKKYPGJSA-N 461.563 1.994 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1740627146 YQIAIZUUQHFGKT-IBGZPJMESA-N 470.599 1.197 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1740627453 QOAZIXMMVPJQNV-HOTGVXAUSA-N 466.510 1.766 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCC[C@H]2OC)CC1 1740701202 XYTVMTYORAGJBW-AZUAARDMSA-N 458.607 1.977 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC1COC(C)(C)OC1 1740955303 PIDPZVWJRFBALM-UHFFFAOYSA-N 457.531 1.854 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740957665 WUJHEOQMJZKSJZ-UHFFFAOYSA-N 498.613 1.199 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1740958983 IBBQOIKQTRLISK-UHFFFAOYSA-N 461.526 1.619 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@](O)(c3ccc(F)cc3)C2)nnc1[C@@]1(OCC)CCOC1 1740965081 LMYFJGJUNUJZTP-DHIUTWEWSA-N 459.522 1.469 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(OC)CCC2)C1 1740982794 XDUGDIOWMNVRHF-ROUUACIJSA-N 469.608 1.352 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1740991604 AHOFLLNBYFZVSC-FUHWJXTLSA-N 480.612 1.569 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1740993362 YTTGMWUXXONTSQ-HXUWFJFHSA-N 470.603 1.915 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1C1CC1 1741802025 FANYDLQDVZWOFX-NEWSRXKRSA-N 465.624 1.366 30 10 JDEE CCOc1ccccc1OCc1nnc(N(C)[C@H](C)CC#N)n1C[C@]1(O)CCS(=O)(=O)C1 1746877191 DFNLTEUJYCIYHS-IIBYNOLFSA-N 463.560 1.544 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1747441455 HSTFCTHAYFQWSP-GOSISDBHSA-N 459.576 1.061 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1748809433 MYJVSQHOQIZYIX-KRWDZBQOSA-N 460.556 1.626 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748825716 CRENZMSGQFQGKS-ZWKOTPCHSA-N 459.547 1.912 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@@H]1C 1748858019 JWFJXXRVGFGYLZ-VQTJNVASSA-N 472.590 1.380 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@](C)(O)[C@H](C)CC)CC1 1749006653 WKVVHBXQFYNHOJ-CJAUYULYSA-N 491.600 1.684 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1749103902 GPUKOYWRLWRWMD-WDEREUQCSA-N 459.288 1.856 30 10 JDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1749254749 HWASYZLNVMFARR-ICSRJNTNSA-N 468.558 1.839 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CCC[C@H]2C)CC1 1749342223 DEYXMHCQAPWPNO-PLMTUMEDSA-N 453.609 1.565 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)CC1 1749458238 XGXPTAUJGHAFQM-WIYYLYMNSA-N 471.624 1.599 30 10 JDEE CC(C)(C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1750113658 CTGXCGMOMWOBBD-UHFFFAOYSA-N 479.589 1.270 30 10 JDEE N#C[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CCN2CCCS2(=O)=O)CCO1 1750387935 FPBVBIGMTLLYJE-INIZCTEOSA-N 483.019 1.988 30 10 JDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CCS1 1752387430 GGEOUYYTEUYUGB-INIZCTEOSA-N 462.601 1.706 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(N2CCCC2=O)c1 1760116122 FLBSFYQKTJEQKC-XLIONFOSSA-N 486.598 1.244 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(OC)CCOC2)c1 1760128206 BNADAKDKHRDYRG-WZONZLPQSA-N 487.582 1.042 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1760187523 WPIYSHVFWDRPSV-WNRNVDISSA-N 454.618 1.243 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(NC(C)=O)nc1)[C@H]1CCS(=O)(=O)C1 1760192648 LMGCHSWYXMZVDI-ZWKOTPCHSA-N 458.544 1.158 30 10 JDEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1760207168 ACBRYXTXVZNOFW-HXUWFJFHSA-N 493.383 1.242 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC(F)(F)CO2)n1 1760251468 AZYIMTSYBQSJKL-WMZOPIPTSA-N 498.556 1.087 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCn2cncn2)CC1 1760266480 ZWPXJQKSHUCNGH-QGZVFWFLSA-N 466.521 1.815 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](C(=O)NC)C1 1760516606 RHEBZARTIKDHJO-MJGOQNOKSA-N 456.547 1.288 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1760554104 RHNTYBYBVJKUOE-QGZVFWFLSA-N 477.635 1.658 30 10 JDEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1760558454 PLEQVBDPHSJENH-MRXNPFEDSA-N 463.585 1.909 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1760559134 JLPGWIDJXIZIBL-YRXWBPOGSA-N 454.593 1.466 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(O)c2)CC1 1760560157 OZJMCFOZNIEVAA-INIZCTEOSA-N 466.633 1.840 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN2CCCCC2)CCO1 1769241225 HONWMUISISXQIB-RXVVDRJESA-N 451.575 1.890 30 10 JDEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1770361337 HWDPYOYRDNCSNI-MSOLQXFVSA-N 460.560 1.141 30 10 JDEE C=CCOc1ccccc1OCC(=O)Nc1nc(N2CCCC2)nn1[C@@H]1CCS(=O)(=O)C1 1869971413 GXEQCHKZVVZMSR-MRXNPFEDSA-N 461.544 1.820 30 10 JDEE CN1CCN(CC#CCOC2CCN(C(=O)Cn3cnc(-c4ccccc4)cc3=O)CC2)CC1 1889600802 RWFPBGPJTZKRNA-UHFFFAOYSA-N 463.582 1.169 30 10 JDEE CC(=O)N1CCc2cc(S(=O)(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)ccc21 1889933601 FTZLHGRIDKZSIK-UHFFFAOYSA-N 474.627 1.016 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)[C@H](CO)C1 2255635462 HIBISCPCZHAIQG-ZDUSSCGKSA-N 453.370 1.496 30 10 JDEE C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256621117 QOMUOQLXDHHUOP-VXGBXAGGSA-N 454.358 1.222 30 10 JDEE COCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267141483 XHKBUMKBNAPTAU-UHFFFAOYSA-N 450.345 1.511 30 10 JDEE C[C@H](CCN(C)C(=O)OC(C)(C)C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267419266 OVGAUURFKYPICN-CQSZACIVSA-N 472.417 1.643 30 10 JDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(CO)CN(C(=O)OC(C)(C)C)C1 2267516514 FKLNHTXJEZAWIF-UHFFFAOYSA-N 467.397 1.710 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@](C)(CO)C1 2267519656 JUGIYBKMDGVOAE-OAQYLSRUSA-N 450.345 1.153 30 10 JDEE COc1ccc(S(=O)(=O)N(CC(N)=O)Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2267722869 ZPRLMTHIEQJYSY-UHFFFAOYSA-N 460.361 1.671 30 10 JDEE CCn1cc(C(=O)N2C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282049014 STEKLXFGLMPABZ-GJZGRUSLSA-N 464.372 1.302 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCCOCCOCc1ccccc1 2282328723 BXHHXGPEJMRTHY-UHFFFAOYSA-N 479.408 1.621 30 10 JDEE COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2282528442 RTCGSVVGPSLYMD-MRAWUWRDSA-N 464.324 1.908 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CN(C(=O)OCc2ccccc2)CCO1 2282582582 XYSMWJWFJNEDPV-IBGZPJMESA-N 498.389 1.970 30 10 JDEE C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282837024 RLYSWMDFHBKUAI-QGZVFWFLSA-N 475.424 1.399 30 10 JDEE C[C@@H]1C[C@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2282839021 XPNMXQYEDNMFGL-CABCVRRESA-N 484.428 1.643 30 10 JDEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282839339 CERKYXCFUUXLLG-KGLIPLIRSA-N 485.416 1.133 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282965597 CLGKDTIYTLGROZ-WMLDXEAASA-N 462.352 1.961 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)[C@H](O)C1 2282990179 OPOUBNGKWGSWOY-SJLPKXTDSA-N 462.352 1.792 30 10 JDEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2283969980 DOKFZUWFAOLGAN-UHFFFAOYSA-N 464.343 1.971 30 10 JDEE CC(C)(C)OC(=O)NCc1cn(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)nn1 2287188832 GTRVGLWYKWZIJM-UHFFFAOYSA-N 460.344 1.360 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@]2(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2296390615 CQUYXVDHJZRCDJ-NYHFZMIOSA-N 460.340 1.740 30 10 JDEE COC[C@@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C=CCN1C(=O)OC(C)(C)C 2336364661 UMUXNLFBPHCGCQ-HXUWFJFHSA-N 466.369 1.390 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)n1C 2362331216 GRNMCLJYJHINDY-MOPGFXCFSA-N 498.389 1.841 30 10 JDEE C=CCN1C(=O)/C(=C\c2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)SC1=S 33350085 COWVYDDDDUICBT-NTCAYCPXSA-N 455.565 1.783 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N(C)CC(=O)Nc3cccc(OC)c3)cc2C1=O 749249549 CNDPUSFIKCOJOJ-UHFFFAOYSA-N 465.462 1.731 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)C(C)(C)c2csc(-c3ccccc3F)n2)CC1 1175515338 XYMDLVYTNYVPNU-UHFFFAOYSA-N 450.561 1.839 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3cccc(-n4cncn4)c3)CC2)cc1 1222119825 HLMPFORAFIJYAM-UHFFFAOYSA-N 451.512 1.355 30 10 JDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1286382469 SASIHIQRAFLOSZ-XMSQKQJNSA-N 494.017 1.649 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N1CCCCC1 1286461123 VNZSHFCQTPTNIQ-UHFFFAOYSA-N 473.599 1.837 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCN(C)CC(F)(F)F)CC1 1286475039 VGIDLNPNUSIPFB-UHFFFAOYSA-N 474.495 1.170 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCC2=O)C1 1286547669 PMHGKNLFHYOXRV-VXNCWWDNSA-N 466.608 1.071 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C(C)C)CC1 1286553011 CDPSQGVSJZPZRU-AQNXPRMDSA-N 479.647 1.856 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286587418 JEUHHPCTGRWCKM-UHFFFAOYSA-N 467.617 1.833 30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCN(C(C)=O)CC2)CC1 1286640854 OMYKKKYQDHKVKR-UHFFFAOYSA-N 472.615 1.669 30 10 JDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1286722533 LNVKQZHNBODTBX-INIZCTEOSA-N 451.531 1.309 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccccc2C#N)CC1 1286781075 OCLIQRPCIKCIGV-UHFFFAOYSA-N 464.574 1.697 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1286814608 UJCCFCMDOJKRIY-IBGZPJMESA-N 477.562 1.832 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCS1 1288868750 FVGOKJOFQNJJKV-PXNSSMCTSA-N 489.671 1.978 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)c2ccco2)C1 1288976755 DJAJYCVLPDFIKK-HBGVWJBISA-N 478.575 1.242 30 10 JDEE CCS(=O)(=O)NCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](C#N)C1 1297769825 HBHWSKOSKRWMRH-ROUUACIJSA-N 462.576 1.703 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1300479333 LVLVQUNEBMGLTO-LJQANCHMSA-N 496.597 1.443 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1300529923 RWYPWKBFJHMGBL-HOJAQTOUSA-N 465.558 1.776 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2n[nH]c(C)n2)CC1 1300710610 IOENWDODDQIHNP-HDICACEKSA-N 469.594 1.473 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)S[C@@H](C)C1 1300761307 AWJIEFHKJMRDOA-JYJNAYRXSA-N 459.663 1.308 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1300877533 YJTORFBJLLTSOV-FQBWVUSXSA-N 454.641 1.788 30 10 JDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1300946169 NWRTYARWVQCFFP-UHFFFAOYSA-N 457.560 1.240 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1300972646 NXFQJUPPBPQMQZ-QGZVFWFLSA-N 494.593 1.583 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1300972680 OIBSTVRNZJGLNF-UHFFFAOYSA-N 496.616 1.653 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C(C)C)C1 1301257522 ANXMYRVYZBRWJD-QZTJIDSGSA-N 473.665 1.782 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCC(C)CC1 1301405593 TZGBWEDXHIPHBO-PMACEKPBSA-N 466.652 1.910 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C(=O)NC)C1 1301490641 XDOPPYNXQXFHJJ-HNNXBMFYSA-N 453.330 1.505 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(F)(F)C1 1301509683 LWHCUWDQLITFND-UHFFFAOYSA-N 459.545 1.790 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCCCC2)CC1 1301567506 HWVLQDIUBHFZPY-UHFFFAOYSA-N 464.636 1.570 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1301567558 JADVDTQSGKGSBJ-UHFFFAOYSA-N 492.646 1.344 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1301588868 KXHJEXBUOFWRJY-CABCVRRESA-N 452.499 1.931 30 10 JDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1301986236 DCRSVOXOOKHDCR-JFIYKMOQSA-N 494.643 1.356 30 10 JDEE C=C(C)CN1CCC(NC(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)CC1 1311890938 FGZCWSKLICCCEX-UHFFFAOYSA-N 451.373 1.251 30 10 JDEE CNS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1315066343 DHSVOLRERIYPHX-HXUWFJFHSA-N 474.587 1.988 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OCC(F)(F)F)nc1 1358871577 HIKVMNZGNTVZTG-KGLIPLIRSA-N 474.509 1.925 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC2(S(C)(=O)=O)CC2)c1 1358901958 BNRHBRXLPFKEPI-KRWDZBQOSA-N 457.556 1.415 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1358967442 KMEPDUUFBQLRBR-VGSWGCGISA-N 478.546 1.428 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2([S@](C)=O)CCC2)CC1 1359031682 LPFHSOSYHPKPIG-HKBQPEDESA-N 475.640 1.405 30 10 JDEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1359121027 SKLADBVHQLPRGP-UHFFFAOYSA-N 465.558 1.936 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1359216305 UCOYPEDDRVZFJD-GOSISDBHSA-N 498.556 1.930 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1359294466 UNPJKUNBYAZGDW-SJORKVTESA-N 460.604 1.980 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1359304179 PDKQRUCYUQJKJF-LJQANCHMSA-N 472.571 1.434 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1359304672 FUUMVADBIXFABU-QHCPKHFHSA-N 454.531 1.417 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(C)C(=O)C1 1359304799 JVDMDJSCACOMQK-UHFFFAOYSA-N 453.330 1.745 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1359331208 QWJUTSLGDJNLCD-OAHLLOKOSA-N 486.520 1.754 30 10 JDEE C=C(C)C[C@H](NS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1)C(=O)OCC 1464385719 UWKILPDTTOIQOT-MOPGFXCFSA-N 454.545 1.841 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCN2CCOC[C@@H]2C)c1 1507550352 YEFDCCMZHFCULO-SFHVURJKSA-N 462.558 1.456 30 10 JDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1 1507588332 JRKFWJNAMVWREB-LJQANCHMSA-N 483.573 1.656 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1507633307 FTSDRAUCCODONI-OAHLLOKOSA-N 465.526 1.300 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1507640424 SCNWTEOWOVCAGU-LJQANCHMSA-N 473.574 1.885 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](SC)C(C)(C)C 1507653116 LMKZEPXGXYIBOB-IRXDYDNUSA-N 453.634 1.462 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cc(C)on2)CC1 1507736527 QUSPWKCPHCSINK-QHCPKHFHSA-N 456.547 1.629 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](Cc2ccccc2)OC)CC1 1507737653 DGROVUGAPXVBLS-SFTDATJTSA-N 464.570 1.453 30 10 JDEE C=C(C)COCCn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1507848941 QJENGQHQCHKNHX-WZONZLPQSA-N 476.578 1.290 30 10 JDEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507958723 HTCMWHISZVWLOB-UHFFFAOYSA-N 456.547 1.710 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1507967214 HAJDTOYNOFEVBG-GOSISDBHSA-N 489.598 1.441 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCO[C@H]1C 1508031909 BEQBJEYKFHRNDE-CSODHUTKSA-N 450.561 1.548 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1508094132 NGKYUBHYQMIYNJ-HNNXBMFYSA-N 453.952 1.436 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(OCC)cc2C1 1508094369 XOPKNHPQKISLTR-KRWDZBQOSA-N 459.572 1.444 30 10 JDEE C#CCN(C(=O)[C@@H](Cc1cccc(OC)c1)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1528600284 ZQDNXSVJYCGPEN-IEBWSBKVSA-N 450.557 1.780 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1538976927 QVLFOSHTDGRUJG-HTAPYJJXSA-N 461.588 1.733 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCN(C2CC2)C1)[C@@H]1CCS(=O)(=O)C1 1539204005 XNBZXOFWJPRZIU-FXAWDEMLSA-N 476.647 1.308 30 10 JDEE C#CCN(c1nnc(C2CC2)n1Cc1cc(OC)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1539216154 OCDVISPSZIUMMU-KRWDZBQOSA-N 460.556 1.856 30 10 JDEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1539707986 WLACFBOHEGZKDF-UHFFFAOYSA-N 474.512 1.231 30 10 JDEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1540020891 MWFCJEOQKNCDCA-WOJBJXKFSA-N 488.633 1.670 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1540871843 VIZGHCYKZFNZPJ-QYZOEREBSA-N 489.621 1.562 30 10 JDEE 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483.997 1.943 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1cccc(C(N)=O)c1 1358976026 NTDQSADMNXFKMF-UHFFFAOYSA-N 475.578 1.653 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC[C@@H](C(F)F)N1CCOCC1 1358981181 ZVUTVJATXPTUIX-FQEVSTJZSA-N 467.524 1.945 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccccc1C 1359010606 UTTAXXQYAKRYMJ-HXUWFJFHSA-N 461.588 1.848 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(c3ccccn3)CCC2)CC1 1359029416 XDVYWDSWOJXYJR-SFHVURJKSA-N 457.604 1.160 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)c2ccccn2)CC1 1359041208 PXUVADMWPUSAKU-KRWDZBQOSA-N 487.630 1.227 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCNS(=O)(=O)c2ccccc2)CC1 1359045364 FBVKMAMXDCJVEE-UHFFFAOYSA-N 486.642 1.811 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)c2ncc(C)s2)CC1 1359046799 GIMKQXFJRTUFFY-MRXNPFEDSA-N 469.615 1.935 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NCC)CC1 1359106642 LUPHWCYWRGBAQS-FYQPLNBISA-N 462.595 1.835 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)c2ccsc2)CC1 1359165711 VCEUULJTCDMDFI-XLIONFOSSA-N 467.617 1.737 30 10 JDEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)N1CCSCC1 1359241650 XODWSWFWEBDOLX-GOSISDBHSA-N 465.601 1.791 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1COCCO1 1359256855 RSAJCKZQAHGPHF-VQTJNVASSA-N 457.556 1.660 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncnn1-c1ccccc1 1359281861 LFMCNDLPQMXVGL-QGZVFWFLSA-N 457.560 1.448 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSCCS1 1359282174 SPLKGBRZHOLOHE-HZPDHXFCSA-N 477.678 1.098 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N1CCOCC1 1359282311 WUNUNUADVWHNTQ-GOSISDBHSA-N 494.593 1.084 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1359330735 BHNKVVQNGLIXAV-QGZVFWFLSA-N 475.619 1.713 30 10 JDEE C#CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)[C@H]1CCS(=O)(=O)C1 1435070255 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C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@](C)(O)CCC)CC1 1507731883 RIZMCUYBCZPBQV-DEOSSOPVSA-N 452.607 1.758 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(C(N)=O)nc2)CC1 1507740701 DDFYTDVBLFOCEE-UHFFFAOYSA-N 491.527 1.504 30 10 JDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(=O)N(C)C[C@H]1C 1507752258 VECXLWUVHRPDKX-OAHLLOKOSA-N 461.617 1.272 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1508074247 REXKOASHJNACIR-UHFFFAOYSA-N 483.392 1.091 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1508083760 CDAXIKKMDYFMSX-UHFFFAOYSA-N 480.617 1.137 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1508089187 AXDZEJJYISZHIL-UHFFFAOYSA-N 495.628 1.521 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)nnc1C(C)(C)C 1508096530 AUAHUHAFJPMHNR-FQEVSTJZSA-N 465.602 1.805 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1508134784 WDRLRQQZHIGOKR-NRFANRHFSA-N 487.626 1.936 30 10 JDEE 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YECDYWIEFSRQNA-KDURUIRLSA-N 463.560 1.350 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSc2c([nH]c3ccccc23)C1 1540862944 MFZFLFRWBWFQRV-AWEZNQCLSA-N 489.627 1.784 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1540864502 BTAJTFZKLOYSTG-UHFFFAOYSA-N 453.503 1.604 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1540870598 QYRSMTQJJALKLX-QGZVFWFLSA-N 491.040 1.746 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1540892162 GURCTFROWNIDIL-AQNXPRMDSA-N 467.636 1.318 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCS(=O)(=O)N(C)C)C1 1540892383 KRFCKGDGVYEEPV-LPHOPBHVSA-N 463.560 1.463 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCOC2(CCOCC2)C1 1540898845 WTZFTIYWLJERGJ-UHFFFAOYSA-N 492.598 1.949 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N(C)CCS(C)(=O)=O 1540899766 ZECDIEMTGKNRST-UHFFFAOYSA-N 497.462 1.851 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC=CCC1 1540905995 YFCAYSQNCKYTKW-QGZVFWFLSA-N 467.592 1.954 30 10 JDEE Cc1ccc(C(=O)N2CCN(C(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)cc1 1541076456 GSWZTQHZXKJCTD-KRWDZBQOSA-N 454.552 1.797 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC(C)(C)O 1541939728 CYAZDTOLRSDYIC-KRWDZBQOSA-N 475.619 1.243 30 10 JDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(C(=O)OC)CC2)CC1 1554493629 HMVRAFCOPSMTPM-UHFFFAOYSA-N 466.546 1.757 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCNC(=O)C(C)C 1587662558 OWEJJGSWZQFTRP-OAQYLSRUSA-N 451.619 1.873 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1nc(C(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1588055239 UJBYJJPIHGRCIP-LSDHHAIUSA-N 462.601 1.484 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1588074832 SUMYRTPFIXFJMN-KNJMJIDISA-N 466.604 1.444 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ncccc2N(C)C)CC1 1588962322 ZLOFDAAOZIRPAY-UHFFFAOYSA-N 475.601 1.615 30 10 JDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1589060615 UXGPWAJGSRKQFT-HMXCVIKNSA-N 460.648 1.527 30 10 JDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1589089079 NOYHVIKTISGIMR-UHFFFAOYSA-N 487.655 1.743 30 10 JDEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)[C@H]1CC)c1ccccc1 1594535518 RYVWUPFMRZDFBS-BHIYHBOVSA-N 460.604 1.963 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1594626755 OLGALTNYONOILS-QZTJIDSGSA-N 481.623 1.008 30 10 JDEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC(=O)NCC)CC1 1595398835 LIVQHANJPUTZOG-SFHVURJKSA-N 461.611 1.837 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1595760989 VWFJLJBMIQHCPE-QZTJIDSGSA-N 453.609 1.660 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1595820957 ADGMUGKSHMFOGZ-MBSDFSHPSA-N 492.598 1.851 30 10 JDEE CC(C)CN1CCO[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)C1 1607581391 ICRGCNFMKIGIHH-HXUWFJFHSA-N 458.588 1.408 30 10 JDEE CCCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)C(=O)NC)c2ccccc2c1=O 1614896854 AGCHXDVFYNNKIW-MRXNPFEDSA-N 478.557 1.566 30 10 JDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1617267787 GWOQTIVXZWSAEG-OAHLLOKOSA-N 465.601 1.653 30 10 JDEE COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1619881619 BGWXUNDSUXMSQQ-CYFREDJKSA-N 470.574 1.691 30 10 JDEE C#CCN1CCC(NC(=O)c2cccc(NS(=O)(=O)c3ccc4nnn(O)c4c3)c2)CC1 1651235555 NDKGRBOENBMNHR-UHFFFAOYSA-N 454.512 1.297 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CCS(=O)(=O)CC1CC1)[C@H]1CCS(=O)(=O)C1 1689986516 RMVQXKXFYMFKJW-IBGZPJMESA-N 476.624 1.705 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1689992936 REVVGHHWUDFETJ-SJORKVTESA-N 451.499 1.315 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CN2CCCC2=O)cc1 1690102753 UKWNPRCPHNSQEV-FQEVSTJZSA-N 450.543 1.486 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1690206629 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C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCN(C(C)=O)C2)n1 1740689553 YCDXPWJJRICGSH-LEWJYISDSA-N 469.590 1.523 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC(C)(C)C(=O)NC)CC1 1740693179 WULRKURZMGRMAY-UHFFFAOYSA-N 454.575 1.880 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(=O)NCC=C)CC1 1740707432 BSNGWGPRZZDFNJ-UHFFFAOYSA-N 464.570 1.742 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1740847296 DNIFMQCIWXQRLM-IAGOWNOFSA-N 452.625 1.939 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1740987063 OLMALOBRHCWSGL-CVEARBPZSA-N 451.597 1.967 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccn2C(F)F)CCO1 1741110525 FBOLJQAREBRBJA-GOSISDBHSA-N 486.483 1.710 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCCCO3)CC2)c1C#N 1742668959 HPJZMABLXFOUAY-QGZVFWFLSA-N 455.567 1.226 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O 1747706306 BHLPDQZEFRUYTO-RBUKOAKNSA-N 477.612 1.656 30 10 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1.892 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1749651380 UNJNQSXXGCFZBO-IIDMSEBBSA-N 480.566 1.296 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1749670041 QLRHIOBDIHHGRM-FGTMMUONSA-N 460.579 1.824 30 10 JDEE CC(C)[C@@H]1OCCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1750689894 CDIBBGRVXNKYPO-ZCNNSNEGSA-N 480.635 1.802 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1760147502 UALPHSHFUDNMNM-PKOBYXMFSA-N 461.588 1.849 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1760155474 YZILQQCWGWJOAK-ZCNNSNEGSA-N 465.620 1.667 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCn1cc(Br)cn1 1760175491 KSZORYJJFMZEAI-CQSZACIVSA-N 455.382 1.689 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1nc(C(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1760187489 JWZVDDYQQJDNCF-JKSUJKDBSA-N 490.655 1.853 30 10 JDEE 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30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1760556983 WEVPZBLEOXTNAN-HXUWFJFHSA-N 470.599 1.655 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760557038 YARPKOJQQUADNJ-SFHVURJKSA-N 474.587 1.034 30 10 JDEE CCS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1768296639 FBGQGEIHYMTJEW-LJQANCHMSA-N 469.571 1.334 30 10 JDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCN(C(C)C)CC2)cc1OC 1770086369 DHDHNGJWRMEWSQ-IBGZPJMESA-N 470.574 1.926 30 10 JDEE CC[C@@H](NC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1)C(=O)Nc1ccc(C#N)cc1 1866656561 WFLWKXWQJBLEHA-WOJBJXKFSA-N 489.575 1.666 30 10 JDEE C=CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN2CCC(N(C)C)CC2)cc1=O 1870387375 BDLSDSUSFQJEAN-UHFFFAOYSA-N 474.627 1.829 30 10 JDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@@H](C)NC(=O)c3ccccc3)CC2)CC1 1891109139 JBKNTMLZPLSMAD-JOCHJYFZSA-N 454.615 1.842 30 10 JDEE Cc1nc(I)c(I)n1-c1ncnc(N)c1C#N 1949955303 JMUCSGKCDGPRHD-UHFFFAOYSA-N 451.997 1.634 30 10 JDEE 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493.586 1.090 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1540858312 QHFWAGWXTRICNK-GOSISDBHSA-N 491.593 1.347 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1540905088 SEWVHRSYVZZMMR-UHFFFAOYSA-N 499.634 1.469 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1540905257 SFWKOBUTWHTRMT-NRFANRHFSA-N 463.991 1.982 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](Oc2ccccn2)C1 1540907249 PWDIRVKJSUPCSC-KRWDZBQOSA-N 460.560 1.054 30 10 JDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1540908644 KPAWZTRFMJRTGJ-MRXNPFEDSA-N 457.597 1.909 30 10 JDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2snnc2C)CC1 1555206186 GPEFMUNLMHDLJG-UHFFFAOYSA-N 452.544 1.756 30 10 JDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)CC1 1561869996 GMVWNPUFHCAEGE-UHFFFAOYSA-N 456.615 1.368 30 10 JDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 1583820459 CBZYMKNPJYXFFG-UOVPBQLFSA-N 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C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1689994411 XVEZSHRFXZEJGI-PMACEKPBSA-N 475.640 1.816 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCS(=O)(=O)C1 1690005144 TWEWTRFSGXBUNT-HNNXBMFYSA-N 464.389 1.944 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCC(O)CC2)cc1 1690058774 AVENBHNNOXWFTR-GOSISDBHSA-N 474.631 1.353 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@@]1(N2CCOCC2)CCSC1 1690104609 BAXRIMFMBJMYSD-QHCPKHFHSA-N 456.616 1.558 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@@]2(O)CCSC2)n1 1690109479 SQDNJIDCZDLZRG-UGKGYDQZSA-N 460.604 1.870 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1690236877 SHKLTALQDUBKKL-FHWLQOOXSA-N 465.620 1.899 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNS(=O)(=O)CC 1690266896 MQVSEIRCEZIVSW-KRWDZBQOSA-N 486.639 1.928 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCNC(=O)OC(C)(C)C)CC1 1690375226 DGVQEEZZBJMHGI-MRXNPFEDSA-N 470.596 1.292 30 10 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C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1722358770 LFQAMFKYAHJNIM-FQEVSTJZSA-N 493.593 1.666 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1722433072 KNYMTSGYJOMKQG-ZJSXRUAMSA-N 460.623 1.042 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCS(C)(=O)=O)CC1 1722433426 UZLGBQGIOXWPKF-UHFFFAOYSA-N 455.382 1.226 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1722441801 MRDUJVNZRGPXIH-UHFFFAOYSA-N 454.556 1.061 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1722629300 IJMOOVYSWONZHD-KFWWJZLASA-N 452.499 1.929 30 10 JDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1722701089 FRYWBYGCFJTJMW-UHFFFAOYSA-N 457.623 1.303 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(N2CCNC2=O)CC1 1722701756 CHNLXHSTILIPSD-UHFFFAOYSA-N 453.547 1.462 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1722703226 XHRHHCMIHKWYRO-UHFFFAOYSA-N 495.584 1.064 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(C3CCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722731103 DLNRJVDLTSXOPN-JOCHJYFZSA-N 467.636 1.594 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1740615511 GARANMYAJCOOMN-RTBURBONSA-N 485.614 1.284 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1740616963 JOBUQSOQIZVLBB-YESZJQIVSA-N 471.649 1.341 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(COC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1740629560 RJOZLPAMOVOQEP-UFYCRDLUSA-N 496.630 1.072 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1740705638 KGOBZHRCQAUHSS-UHFFFAOYSA-N 472.590 1.805 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)N(C)C2CC2)CC1 1740708524 SHGWAOPSKUTXGZ-KRWDZBQOSA-N 483.642 1.718 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1740782873 WFVLANMNXDRURD-IRXDYDNUSA-N 494.584 1.898 30 10 JDEE C=C(C)COCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740796766 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C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749653253 ZJPGVPYFOPXFPO-YWZLYKJASA-N 499.547 1.626 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1749734200 FRMAGPWNGPGASN-IBGZPJMESA-N 465.620 1.612 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1749738045 CZEJSQOSHQBIHV-LJQANCHMSA-N 491.639 1.895 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)c3ccc(O)cc3)CC2)nnc1C(C)(C)C 1749739825 KMVZAEZFHRQUDF-UHFFFAOYSA-N 461.588 1.844 30 10 JDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1749741242 UVXSRSYWYBBDKD-UHFFFAOYSA-N 460.564 1.965 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(F)c1 1760115613 APGYJHYCEYMSIU-QAPCUYQASA-N 451.524 1.287 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCOC[C@@H]2C)c1 1760126334 VIVCVPGYSKEPJF-LNLFQRSKSA-N 488.614 1.617 30 10 JDEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CCOC)[C@H]1CCS(=O)(=O)C1 1760180218 AKYPOVUDKPXVDK-INIZCTEOSA-N 453.362 1.981 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1760180994 OBYZMWIPIBECGQ-DENIHFKCSA-N 459.572 1.195 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1C(F)(F)C12CCC2)[C@H]1CCS(=O)(=O)C1 1760182175 HPLJLUFVXFTSDJ-LSDHHAIUSA-N 455.531 1.478 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760186309 BNJHMJMGEZXFNK-SJORKVTESA-N 481.619 1.712 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1OC(C)C)[C@@H]1CCS(=O)(=O)C1 1760189388 UDUCROXWXRKJPD-MOPGFXCFSA-N 471.583 1.691 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCc1ccccc1 1760206446 ZORDYZRAXHOPPF-NRFANRHFSA-N 455.584 1.707 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](C)N2CCOCC2)CC1 1760268859 YRIFYTBDHBJBHR-IBGZPJMESA-N 466.586 1.640 30 10 JDEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1760384112 KECAIHSJJOQHSS-JOCHJYFZSA-N 478.571 1.677 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCSC1 1760481510 AWUDXOYKNVTSOU-OXJNMPFZSA-N 451.618 1.949 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCN(C)C1 1760505131 LSTGESGZOZNFMK-MBSDFSHPSA-N 480.610 1.292 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cccc(Br)c2C1 1760520897 CROOZHJCPBUWNO-INIZCTEOSA-N 459.348 1.857 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1760566250 PHESIXAZGOAHQD-HOTGVXAUSA-N 457.622 1.814 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](C1CC1)N(C)C 1761234201 GTECCFVDOBTQJN-IBGZPJMESA-N 451.579 1.350 30 10 JDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1772566877 WNZPERZXHSRUOJ-QUCCMNQESA-N 457.623 1.665 30 10 JDEE Cc1c(C(=O)NN2CCN(C)CC2)oc2c1C(=NNS(=O)(=O)c1ccc(F)cc1)CCC2 1772751562 UOJKAKVZZSIBER-UHFFFAOYSA-N 463.535 1.638 30 10 JDEE CCCCCCCCC(=O)Nc1nc(N2CCN(CCO)CC2)nn1[C@H]1CCS(=O)(=O)C1 1870015260 DQHVHXYIQCZVSP-SFHVURJKSA-N 470.640 1.441 30 10 JDEE NC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccccc1O 1874210489 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CN1CCN(C(=O)OC(C)(C)C)[C@H](CNC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282542041 GPOGOMWKNBZWRI-OAHLLOKOSA-N 463.388 1.000 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@@](C)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2282575362 BPDWGYXSRHEAOS-QFIPXVFZSA-N 464.372 1.712 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C23CC3)n1 2282617935 JMVGKAQBZNKLHD-CQSZACIVSA-N 461.372 1.634 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)n1 2282835768 AZZFBJOTLIEEQQ-LSDHHAIUSA-N 484.428 1.689 30 10 JDEE C[C@@H]1[C@@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCCN1C(=O)OC(C)(C)C 2282837168 BWHXTFJPUWWOKY-KGLIPLIRSA-N 485.416 1.181 30 10 JDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282854996 YHZGJOJPHGEXMZ-GDBMZVCRSA-N 484.428 1.643 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)[C@H](CO)C1 2282974289 GLBUYOAIDZMQLH-INIZCTEOSA-N 462.352 1.745 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2284058889 CKKRZBUAAANQDD-CQSZACIVSA-N 466.319 1.617 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2288535884 IOPKIUYUWGMVIU-UHFFFAOYSA-N 489.350 1.789 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2315696882 KNYJUIDRONUTDG-CYBMUJFWSA-N 453.370 1.808 30 10 JDEE N[C@@H](CC/C(O)=N/[C@@H](CS[C@@H]1C=Cc2cccc([N+](=O)[O-])c2[C@H]1O)/C(O)=N/CC(=O)O)C(=O)O 30728494 FCTXJUPCCZHZHU-LFPKGMGHSA-N 496.498 1.315 30 10 JDEE in-man,metabolite COCC(=O)O[C@@H](c1ncccc1S(=O)(=O)/N=C(\O)Nc1nc(OC)cc(OC)n1)[C@H](C)F 31490231 FICWGWVVIRLNRB-MGPLVRAMSA-N 487.466 1.192 30 10 JDEE in-vitro C=CCN1C(=O)c2ccc(C(=O)N3CCN(CC(=O)N4C[C@@H](C)C[C@H](C)C4)CC3)cc2C1=O 603627449 OUKRMEADGSNLQY-ROUUACIJSA-N 452.555 1.731 30 10 JDEE CN1CCN(CC(=O)N(C)c2ccc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)cc2)CC1 609255972 PUCPCJJRTDVYFJ-UHFFFAOYSA-N 466.517 1.162 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1 742927088 HSUAINIKTWLULP-UHFFFAOYSA-N 458.584 1.712 30 10 JDEE Nn1c(NN=Cc2ccccc2[N+](=O)[O-])nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 1083986164 DXYIBYZZILDEMW-UHFFFAOYSA-N 457.432 1.985 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cc(OC)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286387116 ODTPUYYJKBTVHC-GOSISDBHSA-N 499.593 1.984 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OCCOC)cc1)[C@@H]1CCS(=O)(=O)C1 1286395172 RAXZSLLUCOXKRE-VQTJNVASSA-N 474.583 1.482 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1286552832 BJVUMNHEXMZSQZ-LXZJYRNTSA-N 490.605 1.940 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1286791759 BRIBQXYTBRCFCG-UHFFFAOYSA-N 489.584 1.708 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286818451 IRYXFSBVYOAVOO-QGZVFWFLSA-N 453.590 1.344 30 10 JDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O)[C@@H]1CCCN(c2cccnn2)C1 1298125518 CAOZJBAZEAGYNS-LJQANCHMSA-N 481.586 1.261 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(CN3CCS(=O)CC3)cc2)c1 1299734102 QIWIHQWFOVAMKK-UHFFFAOYSA-N 458.605 1.978 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCOCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300492198 LUTONHUMELCZEN-FQEVSTJZSA-N 476.603 1.139 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)CCOC 1300648579 GCORVFGPMKFFPL-XMSQKQJNSA-N 464.563 1.747 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCNC(=O)c2ccccc2F)CC1 1300719788 QAJMKRKJBNVRLW-UHFFFAOYSA-N 475.528 1.875 30 10 JDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1300925778 CODXELMIYRRMCF-UHFFFAOYSA-N 458.567 1.830 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H](C2CCC2)C1 1301222991 KVYFVVSKRQHGQF-MOPGFXCFSA-N 453.609 1.830 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)c(F)c1 1301297739 UQAWKNIFSPKRIP-GOSISDBHSA-N 453.540 1.624 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1301477924 FWMXITAWNOJJBL-WBVHZDCISA-N 487.948 1.098 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1301490172 MDNOGRIPADHENI-FQEVSTJZSA-N 479.629 1.943 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1301498456 OHQMPWWBSQKIOT-KRWDZBQOSA-N 457.510 1.006 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(Cn2cccn2)CC1 1301585410 ALSQFIFPCAEWIU-UHFFFAOYSA-N 461.592 1.114 30 10 JDEE COC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(C)=O)CC2)CC1 1315113768 AKKXOBXDLCYWEJ-UHFFFAOYSA-N 451.531 1.964 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1358961020 QJQBEIHNTLHGEA-AVRDEDQJSA-N 474.656 1.713 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1nnc2n1CCCCC2)[C@H]1CCS(=O)(=O)C1 1358963466 IRZCHNRCTILPDA-KRWDZBQOSA-N 459.620 1.860 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1359038970 RUXNDHLZYVRMIA-VHXPQNKSSA-N 475.553 1.447 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=O)NCC(F)F)CC1 1359045769 SRYNADIQAKVBNN-GOSISDBHSA-N 488.495 1.138 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1359049100 IBIZPRSHBHWYDB-INIZCTEOSA-N 493.615 1.490 30 10 JDEE C#CCSCCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@@]1(OCC)CCOC1 1359061807 MSJGZROEGUZRDU-WMZHIEFXSA-N 476.647 1.039 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1359189858 XDSAWBLRFROKEM-VQTJNVASSA-N 496.678 1.514 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1359329866 XJVAMCGTVVIQNP-GOSISDBHSA-N 481.022 1.895 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1359333250 RRDYUSRATGEDMS-VQIMIIECSA-N 492.577 1.922 30 10 JDEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1359336603 VYKZVZQWWSUPDI-KRWDZBQOSA-N 476.006 1.995 30 10 JDEE C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 1436052214 FDPMXLHNYFKICH-ROUUACIJSA-N 450.517 1.383 30 10 JDEE C=CCN(C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1)[C@H]1CCS(=O)(=O)C1 1476347313 VJRFFHKITOIIEN-INIZCTEOSA-N 453.542 1.965 30 10 JDEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1505123070 CAAFTLKDHWYJJH-IBGZPJMESA-N 456.572 1.746 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(OC)c1 1507537654 ISTLUFBYLMPSJH-BEFAXECRSA-N 463.560 1.134 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507623207 POPWEEWCJYXPMF-OLZOCXBDSA-N 485.554 1.104 30 10 JDEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1507633053 AHQJEOIVNQLUGU-SFHVURJKSA-N 489.623 1.412 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507637875 CLJAOGSIBPONOC-SFTDATJTSA-N 487.626 1.247 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1507639494 YSYKLEDXWIGGQD-VWPQPMDRSA-N 488.610 1.994 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCN1CCN(C(C)=O)CC1 1507645761 KKGVEOWJRMQJGN-UHFFFAOYSA-N 464.570 1.589 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN2CCCS2(=O)=O)CC1 1507725738 ADRDATCZTBKRCN-UHFFFAOYSA-N 472.615 1.265 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1507797722 MIRWLMALRNBDCQ-NJYVYQBISA-N 497.662 1.640 30 10 JDEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCNC(=O)c2cc[nH]n2)CC1 1507896188 AJXIEKWCPLGORZ-UHFFFAOYSA-N 498.613 1.751 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COc2ccccc21 1508021062 RCHRWXMQSFPMTM-PXNSSMCTSA-N 459.572 1.966 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1508091424 UJTJVAAQJLHEDN-GOSISDBHSA-N 470.578 1.727 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1508094995 KHXQCXHHEGLISQ-JXQFQVJHSA-N 455.559 1.975 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC2(CCN(C)C2=O)CC1 1508142561 FBFFCAIUYMCCTG-UHFFFAOYSA-N 475.619 1.189 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1508144648 WHTACAZIVFKKFO-UHFFFAOYSA-N 480.635 1.085 30 10 JDEE C=CCn1cc(C(=O)N(C)Cc2cccc(Br)c2OCCS(C)(=O)=O)nn1 1538798019 HDLLAFPLDVUYQM-UHFFFAOYSA-N 457.350 1.922 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)c1cc[nH]n1 1538974095 RSZUNMRTJHZDIC-CQSZACIVSA-N 469.575 1.158 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)CCC)CC1 1539489277 TWFHSJAPRKNZIM-QHCPKHFHSA-N 472.615 1.787 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1540892674 QBIXFWRPJHPFCU-DLBZAZTESA-N 497.618 1.255 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1541115815 FSWHHIBCYQTEPS-IYWMVGAKSA-N 495.694 1.963 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)CC1 1541705432 CZZSWOWXPXNZRE-UHFFFAOYSA-N 469.590 1.536 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Cl)c(I)c2)CC1 1542894888 QKRJAHOPNYXDFX-UHFFFAOYSA-N 459.715 1.842 30 10 JDEE CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1546818590 BATQJEJCMKEBSP-UHFFFAOYSA-N 459.576 1.251 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)N(C)C 1587621745 YDIFVQLFQAIVJB-HNNXBMFYSA-N 457.560 1.024 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1587990455 XQPLENKPYFAYBH-JENIJYKNSA-N 496.634 1.355 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(N2CCOCC2)CCSC1 1589151466 ZRSHKXALYPMDNP-UIFIKXQLSA-N 482.676 1.088 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1595789384 RPOMKOLKZJQFNE-CVEARBPZSA-N 477.591 1.720 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC2(CCN(C)C2=O)CC1 1595799055 WJEWVXXIXIINMM-KRWDZBQOSA-N 451.593 1.222 30 10 JDEE COc1ccc(OC)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c1 1619306612 DEOJKLBORVPJSS-YJYMSZOUSA-N 452.512 1.396 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 1622886168 XHSWMPRQYBBBEX-INIZCTEOSA-N 455.544 1.897 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCOC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689977690 ANGJJXJQVHERDI-SFHVURJKSA-N 465.620 1.782 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1689978272 RCASSCCNQMKCII-KRWDZBQOSA-N 499.622 1.868 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(OCC(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1689979378 ACRQOKVOEVJDEN-AEFFLSMTSA-N 459.572 1.331 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689998453 MODQXGFCDAXBIN-OTWHNJEPSA-N 498.671 1.541 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)CNC(=O)OC(C)(C)C 1690032743 IBOQJHZYEFIZDP-SJORKVTESA-N 466.608 1.512 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1 1690104231 QFQBKCCFBRHZMY-HXUWFJFHSA-N 461.588 1.248 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(S(C)(=O)=O)CCC2)CC1 1690115186 WEWZCUDKKFCCQX-UHFFFAOYSA-N 491.639 1.071 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1690124495 MFRJVEWGJMJWMQ-UMEGOILYSA-N 488.633 1.688 30 10 JDEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(O)(CC)CC)CC1 1690131406 YOYQGMGEXRVXOY-UHFFFAOYSA-N 479.673 1.949 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2cccc(C(N)=O)c2)CC1 1690143860 DXQKXJRNEJCJDV-UHFFFAOYSA-N 458.526 1.043 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1690175526 ZAUCSYCEOYWKJV-PXNSSMCTSA-N 491.639 1.765 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1690237105 VNWKWCZDIIBLCW-CTNGQTDRSA-N 475.638 1.388 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NS(C)(=O)=O)CC1 1690254606 DTKIFIJMZNOZAW-XEYPJELSSA-N 483.635 1.501 30 10 JDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1690481726 NQFSUBWLALNKLQ-ZACQAIPSSA-N 476.578 1.946 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)CC 1690577286 FVXQDVSDUIKATK-HNNXBMFYSA-N 458.631 1.869 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1690669351 BDVIOCJEFZWILP-QGZVFWFLSA-N 458.950 1.673 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1690675366 YHQZTAYSIJSACI-UHFFFAOYSA-N 482.585 1.543 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1690723900 CUXGRGWHBGTPSZ-PMACEKPBSA-N 477.635 1.898 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1690742199 JQAOFOJEYIHFQM-YZGWKJHDSA-N 475.663 1.527 30 10 JDEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3CCN/C(O)=C3\N=CC=CC3=O)C[C@@H]2C)CC1 1690828589 KPRLXUDYRCZQOP-ZOSJIXFGSA-N 498.632 1.307 30 10 JDEE CC(=O)Nc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)cn1 1690875182 FLHAZJBTAJDXPU-UHFFFAOYSA-N 487.568 1.429 30 10 JDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1705531787 WQVGNDPLNHZEOD-GOSISDBHSA-N 498.609 1.635 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1705560468 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CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 1710265704 GKOVTQFPDHZZJH-SIKLNZKXSA-N 464.618 1.805 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722368311 PTWMGGLMIRRWHT-MWTRTKDXSA-N 484.582 1.628 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722372038 OHLKNSOSZHAUBW-DRKIFQHWSA-N 480.660 1.314 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722372040 OHLKNSOSZHAUBW-OKXSDPAFSA-N 480.660 1.314 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722375394 OBOMQTWAZRKGHY-FQEVSTJZSA-N 450.467 1.169 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)Cc1ccccc1 1722385008 XHTUTJXZYWIXPW-UNMCSNQZSA-N 484.626 1.204 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)N(C)C 1722393613 GGTIPUWLYZTSEI-UHFFFAOYSA-N 495.609 1.590 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1722442691 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C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1740959846 FWBHUQGMIULAGX-LJQANCHMSA-N 470.549 1.505 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1740992263 CYRLKPMLATUKIH-SFHVURJKSA-N 458.588 1.360 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1741798661 DBMUSZYPOILVHB-JKSUJKDBSA-N 484.586 1.212 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CC(=O)N1CCN(c2ccccc2)CC1 1741804608 GHBRBKRXEWSOGQ-IBGZPJMESA-N 464.574 1.488 30 10 JDEE CCCNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1745768953 ABKVJQOQSZWYBX-SFHVURJKSA-N 463.546 1.648 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CC1(O)CCS(=O)(=O)CC1 1747730041 BYIGWDUQSWBKBW-IBGZPJMESA-N 459.572 1.967 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCSc1nccs1 1748789755 BWZUUIMSEVQLMT-AWEZNQCLSA-N 456.619 1.319 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1748808034 GSORKJORPORNOM-QGZVFWFLSA-N 476.509 1.955 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)Oc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1748815347 PGGJYDXWJPWRTG-SUMDDJOVSA-N 492.001 1.977 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC(=O)NCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748817959 UCCJDMYPMBTTOX-WOJBJXKFSA-N 471.583 1.115 30 10 JDEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCNS(=O)(=O)CC)CC1 1748986899 LIPWNABKIANPAS-UHFFFAOYSA-N 455.588 1.131 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cccc(O)c1 1749038091 OICTZIAEQFYUCT-APWZRJJASA-N 479.628 1.880 30 10 JDEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1749271896 DYJKRNJZORGKKT-UHFFFAOYSA-N 488.976 1.137 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1OC)C1CC1 1749519884 SKLZIFRCYDFTHY-LJQANCHMSA-N 465.551 1.962 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC(C(=O)NC)CC1 1749652062 GWUVEXJJKWOINQ-UHFFFAOYSA-N 461.364 1.972 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1749726929 JPQLBEJKQNPWKI-UHFFFAOYSA-N 499.012 1.549 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749738554 PKBPOPDRPUQKKY-SFHVURJKSA-N 450.609 1.652 30 10 JDEE CS(=O)(=O)Cc1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)c1 1750197999 BKAXUWOKLLZTJA-JOCHJYFZSA-N 483.529 1.960 30 10 JDEE C[C@@H]1SCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)[C@H]1C 1752460766 CIVXXGMUISIUOK-GJZGRUSLSA-N 450.590 1.608 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1760155154 RIGUXQOPFBKUMF-OAHLLOKOSA-N 463.589 1.300 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760182260 DHQDAIGVJXNQSD-SIKLNZKXSA-N 471.627 1.855 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCOc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1760192399 UGSOWBYIZIJLJE-SFHVURJKSA-N 492.001 1.760 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1760195131 XCIPELQKYIYKLV-QZTJIDSGSA-N 478.619 1.608 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCN(c2ccncc2)CC1 1760219812 OVDKNDRIBJPMOR-JOCHJYFZSA-N 495.653 1.250 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCN(C)C(C)(C)C1 1760249598 OWROJQZQRMCVHU-QFIPXVFZSA-N 468.602 1.903 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2cccc(C(=O)NC)c2)CC1 1760252339 PJJPNOSXBOTLQD-UHFFFAOYSA-N 465.602 1.554 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)Oc2ccc(Cl)cc2)CC1 1760253356 DPDHXLBGUZKKPZ-DLBZAZTESA-N 481.022 1.764 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCOCC2(C)C)CC1 1760255641 MPPURMKQMCZDFT-UHFFFAOYSA-N 453.547 1.719 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1F 1760464430 HGCCHUUIMVTCGW-YJBOKZPZSA-N 453.540 1.840 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2ccc(O)cc2C1 1760526887 VXBDCYVELHTNEM-UHFFFAOYSA-N 452.540 1.840 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1760527306 RUINHYHIYNBMRF-UXHICEINSA-N 457.623 1.794 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H]3OC(=O)O[C@H]3C2)cc1 1760530140 LACOXDACCYHEHL-QGTPRVQTSA-N 477.543 1.616 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1760559754 SLYMCTGLUROHFR-PKOBYXMFSA-N 453.609 1.420 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCN(c2ccncc2)CC1 1760692999 FKFNARZTAFHVEZ-QUCCMNQESA-N 451.579 1.432 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(CC#N)CC1 1767848858 CRGMJGCIYIUCAH-UHFFFAOYSA-N 454.560 1.810 30 10 JDEE CSCc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1771435654 AMVJBZYRUJGSES-YOEHRIQHSA-N 450.590 1.528 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1772660470 ZUFRSLICOBMRMH-UHFFFAOYSA-N 497.643 1.415 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CCOCCO)c(C)cc2=O)nc1C 1870088263 PPCPPPTYFJYIHG-UHFFFAOYSA-N 451.501 1.291 30 10 JDEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(C)=O)s2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870585142 OTRUQKNOBIXFEG-UHFFFAOYSA-N 487.582 1.717 30 10 JDEE Cn1c(=O)c2cc(C(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)n(Cc3ccccc3)c2n(C)c1=O 1891690773 IHOURZLSUDUHTB-SFHVURJKSA-N 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C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(COC)CCOCC2)C1 1286808601 CQYFJBYORBCGMU-ZWKOTPCHSA-N 454.593 1.405 30 10 JDEE CCN(CC)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1295533849 GGHQAQOHGZIPHM-LJQANCHMSA-N 451.579 1.554 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(C)(C)O)c1 1300307130 BSBAEJSWLGJGOG-APWZRJJASA-N 461.588 1.345 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1300502796 XRKFZTFOEKLYFI-HKUYNNGSSA-N 463.629 1.278 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNS(=O)(=O)CC 1300618435 FOGCWAVXGFDIBM-UHFFFAOYSA-N 457.560 1.074 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(Br)cc2)CC1 1300699469 DDDCHJGEEIJYQM-GOSISDBHSA-N 492.443 1.941 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300886283 WXAIAWQONMPPOS-VJANTYMQSA-N 453.609 1.971 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1301223083 MMMPCAWKLUJKFX-UYAOXDASSA-N 496.678 1.954 30 10 JDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1301252281 MTPHSLNTNTVOSP-GIVPXCGWSA-N 473.622 1.201 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1301475528 VFOHYRFSWDPMEX-QGZVFWFLSA-N 455.563 1.442 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](OCC(C)C)C1 1301496753 GMZFYNPZXRSFFD-KRWDZBQOSA-N 465.558 1.746 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1301497855 GAYAZVHTPZAILR-DLBZAZTESA-N 454.531 1.890 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(Br)cc1 1301500811 PPOXRUMGUVXTJZ-HNNXBMFYSA-N 482.404 1.881 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)CC1 1303456947 ACTHDDUEOCXNNY-UMSFTDKQSA-N 483.642 1.765 30 10 JDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c1 1307540429 DIJIJAXVIRAOAV-UHFFFAOYSA-N 458.515 1.898 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCc2sccc2C1 1358890453 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1507639515 YVNMOOQEGNLFCL-JOCHJYFZSA-N 471.627 1.890 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1507732409 MIYJCQCBXJWUOQ-IZHYLOQSSA-N 489.580 1.756 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCC(=O)N2)CC1 1507736893 UUWJXRMNFPZAQW-QFBILLFUSA-N 468.533 1.802 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)CCC)CC1 1507750671 BMDSYJTWMRDSCZ-MRXNPFEDSA-N 453.634 1.432 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCN(CC)CC1 1507772986 OJSXVYJLPPLAFP-NFBKMPQASA-N 462.664 1.590 30 10 JDEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CCOC)C(=O)C1 1507838837 JJZPKSIAVZQWKN-UHFFFAOYSA-N 467.368 1.923 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1508059090 LLYGYEXOBSLYBT-JKSUJKDBSA-N 467.621 1.137 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(O)CCOC2)C1 1508108757 IMNCRNYJEKFENL-GCJKJVERSA-N 461.950 1.794 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1508140557 IXDHVBMNGPSJMH-OAHLLOKOSA-N 479.525 1.278 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1508140576 IXLXYLUCQOVWDN-TZIWHRDSSA-N 491.589 1.919 30 10 JDEE CC(C)(C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1508466768 ICDFWBAUKDBQNU-FQEVSTJZSA-N 478.601 1.585 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCOCC1(C)C 1510186891 IEVRLHQIJQGZFC-MRXNPFEDSA-N 453.613 1.129 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)N2CCSCC2)C1 1510288288 AMSLTVMSJUJEMX-OAQYLSRUSA-N 475.644 1.773 30 10 JDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1515094446 AHRCRISXCCEQCX-UHFFFAOYSA-N 466.590 1.333 30 10 JDEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 1515931058 DYAIOLHTYKBRCL-MOPGFXCFSA-N 452.607 1.790 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1539102316 WUKUIYXNWJOARZ-IRXDYDNUSA-N 481.644 1.867 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1539119497 JXTGORSWJOSMIL-INIZCTEOSA-N 460.560 1.289 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539206597 SEMNMOVZCHYXJI-MOPGFXCFSA-N 459.528 1.905 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCN(C)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1539222709 XCTTYKZGJOQOPM-MJGOQNOKSA-N 488.589 1.522 30 10 JDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1539299703 LVTMIWVJRIPGHV-DQEYMECFSA-N 487.670 1.990 30 10 JDEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1539511090 PUDISDVKBFRMEQ-UHFFFAOYSA-N 494.625 1.893 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1539518096 VSNCCCKNSIGENU-FQEVSTJZSA-N 494.731 1.541 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)N(C)C 1539557220 NHQNMOYADMUDIY-VGOFRKELSA-N 496.634 1.470 30 10 JDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CC1)CNC(=O)C2 1540040514 WSFHDXBYFBQDMQ-UHFFFAOYSA-N 458.588 1.969 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC(=O)N(C)C[C@H]1C 1540870113 FGDDZZIPVRLZED-MRXNPFEDSA-N 475.594 1.362 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(F)cn2)CC1 1540873492 ZJVVPROSZBEJPD-UHFFFAOYSA-N 456.551 1.797 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCC2)CC1 1540897758 RKEUBPKGZZIVRG-UHFFFAOYSA-N 459.576 1.201 30 10 JDEE CO[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C(C)C 1554649066 DRGRWQWWKAXEDR-MSOLQXFVSA-N 455.567 1.140 30 10 JDEE COC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)OC 1555253044 DRXBWJQCVSPLAZ-MRXNPFEDSA-N 452.494 1.734 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1587639217 KSBJASMIIJZZNY-NNMXDRDESA-N 471.627 1.907 30 10 JDEE C#CCCCCn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1587792771 ADIOLARJUWGSTI-NRFANRHFSA-N 453.609 1.640 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CCCS1(=O)=O 1588020085 DKSGMUMZPLIMLQ-INIZCTEOSA-N 452.581 1.455 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C)CN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1588029548 IWEDPLINXXVPLQ-PMACEKPBSA-N 464.680 1.476 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1588030081 PGUHVUJSOWQRKF-NRFANRHFSA-N 484.626 1.870 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCCC(=O)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1588045869 RXAOEMZWHBLBBK-SFHVURJKSA-N 460.604 1.559 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCS(=O)(=O)CC=C)[C@@H]1CCS(=O)(=O)C1 1588059834 WAABSXZUWGWQPL-GOSISDBHSA-N 480.587 1.236 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1588069567 QPEZRSWZOBKPLF-IRXDYDNUSA-N 477.612 1.465 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1588189510 LOQUJAPQHLEGSJ-QHCPKHFHSA-N 464.551 1.348 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CCS(=O)(=O)N1CCSCC1 1588219660 XWXSFEFINAUJAB-UHFFFAOYSA-N 458.613 1.490 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cn2cccn2)cc1 1588646773 NBPUSOQGGKEWQY-OAQYLSRUSA-N 468.583 1.559 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1588967812 AYYRGTYZOHURHL-UHFFFAOYSA-N 452.559 1.531 30 10 JDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1594097051 LGJKGOPGSXLONF-IRXDYDNUSA-N 477.553 1.990 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCNS(C)(=O)=O)CC1 1594241049 FSSXOUHRAVDSGR-KRWDZBQOSA-N 484.623 1.538 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccccc1)C1CC1 1595054977 WGTPBIQVABRTEL-SIKLNZKXSA-N 461.588 1.674 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1595562229 QVBAMBDRWRFHCK-UHFFFAOYSA-N 463.517 1.668 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1595784882 MDKQBAFFQPYNOJ-GOSISDBHSA-N 475.619 1.007 30 10 JDEE CNS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1618845379 AZIMAWFBLKBWNM-FQEVSTJZSA-N 467.555 1.263 30 10 JDEE CC(C)(C)OC(=O)CC1(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 1629363958 BSCVSNPUDLBEHL-UHFFFAOYSA-N 451.545 1.512 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 1641653828 KLELKRBDKFKWAP-UHFFFAOYSA-N 458.496 1.657 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3cc(C(=O)OC)ccc3NC2=O)cc1 1647862172 AYGGVWSPPZZVPY-LJQANCHMSA-N 457.508 1.621 30 10 JDEE COc1ccc(CN([C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(C#N)cc2OC)cc1 1653562761 FAHRJOMCGZVYOY-KRWDZBQOSA-N 450.538 1.953 30 10 JDEE COC(=O)[C@@H](O)C1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 1653830001 FKDDMLXCDJDISY-JTSKRJEESA-N 458.559 1.602 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1 1654498784 ZQAOYDUJYWBCQK-QAPCUYQASA-N 453.561 1.905 30 10 JDEE C=CCO[C@@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1682526269 WNTYEQYSVPBWIU-HXUWFJFHSA-N 452.577 1.134 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1689984786 VMOODLHEJYYJFD-CVEARBPZSA-N 477.974 1.512 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1689992310 JEYWSRYVBNLSOZ-AEFFLSMTSA-N 480.587 1.069 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1690033303 UVSDQOUZHZYGSM-ROUUACIJSA-N 480.635 1.901 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(SCC)c1 1690077933 ZYJHBQGPQQWWTI-KRWDZBQOSA-N 464.617 1.626 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCCNS(C)(=O)=O)CC1 1690115689 PNKLZUPCAZYBPA-UHFFFAOYSA-N 487.449 1.464 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(N(C)C)nc2)CC1 1690137803 JGSAETKBDQMESZ-RUZDIDTESA-N 481.601 1.405 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2COCC)CC1 1690144249 RFNNHBAPURDFBJ-OAQYLSRUSA-N 464.570 1.780 30 10 JDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(CC)C1 1690228855 HJGSFTXXUVTPIN-RHSMWYFYSA-N 478.413 1.525 30 10 JDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1690417386 PLFYYTDJKWADFO-FHWLQOOXSA-N 453.609 1.686 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1690665609 JTRBQWDFCHKNSM-QGZVFWFLSA-N 452.519 1.698 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](NC(=O)CC)C1 1690672455 RZPLJZDENRPJAX-QFBILLFUSA-N 454.531 1.588 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCc3sccc3C2)C1 1690686291 LRDPEEFEPWGTLH-AEFFLSMTSA-N 480.660 1.789 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCO[C@@H]2C(C)C)C1 1690699737 IODPZQJMYNJOIY-JSXRDJHFSA-N 497.662 1.844 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1690723666 XYNJOYAXZXWDKU-SFHVURJKSA-N 494.643 1.254 30 10 JDEE CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1690891154 FDWMLWGFSYYZDX-KPQWGBOZSA-N 499.641 1.982 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCOCC2)c1 1691003495 ICTPBVRFEFSBEX-AEFFLSMTSA-N 474.587 1.777 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCC[C@@H](C)C2)c1 1705506717 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1740883611 AJQAKFCEQUWWDN-SFHVURJKSA-N 490.586 1.429 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1740992868 VCQVLUZSVCMFIR-ICSRJNTNSA-N 494.639 1.829 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](Oc2ccccn2)C1 1740993680 CACRGKBLWXDNQH-IBGZPJMESA-N 471.587 1.793 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1748804341 FYYMGYZPSATGDK-AVRDEDQJSA-N 475.571 1.009 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1748820549 DOICOZSHPSWNOY-OAQYLSRUSA-N 467.599 1.713 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1cccc(Cl)c1 1748964487 KJJMIKSRWQXPLE-MRXNPFEDSA-N 452.964 1.999 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2nncn2CC)CC1 1749001459 RVKORZJYQXFNRO-HDICACEKSA-N 469.594 1.464 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(C)(C)O)c2)CC1 1749015129 SLYXCVZBFNXQFN-HXUWFJFHSA-N 499.637 1.422 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)NCCC)CC1 1749017271 ZLWCFJONSFMTRD-UHFFFAOYSA-N 454.550 1.890 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1749019631 BNMSQKKCKZBMJZ-UHFFFAOYSA-N 490.593 1.717 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1749121666 OTRTVBNGPAPJSH-SBHAEUEKSA-N 486.598 1.905 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1749657723 BPOOAPPTFXAOFM-WBVHZDCISA-N 492.671 1.952 30 10 JDEE CC(C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1750534479 HVZNEINEJQXZGA-HXUWFJFHSA-N 486.598 1.547 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(O)CCS(=O)(=O)C1 1760102343 IPFUGQOAACALQU-BFUOFWGJSA-N 483.388 1.724 30 10 JDEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760139375 AHWYFXAOYGJHAZ-UHFFFAOYSA-N 457.604 1.611 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1760187399 VPIWAQMYBQKROX-HXUWFJFHSA-N 456.547 1.899 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1760191387 GMTLVMBVVOTWGM-OAQYLSRUSA-N 498.609 1.228 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1760192975 QCGOWJYIFSJKDN-UFYCRDLUSA-N 476.603 1.293 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)N2CCOCC2)CC1 1760271672 GIOJTGRSNBMSIL-KRWDZBQOSA-N 471.631 1.320 30 10 JDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1760347611 NCPJGBDFDMTPEE-QGZVFWFLSA-N 458.567 1.779 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760510407 WWQWICIUTRZYPG-KRWDZBQOSA-N 484.623 1.538 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1760556885 SPKNLDGJCYTASA-LJQANCHMSA-N 486.598 1.292 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccc(F)cc1 1760695189 CGQWOKZWPZFMGI-FYINFDKHSA-N 480.566 1.254 30 10 JDEE CN(C)C(=O)Nc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1768469283 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CCON(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267510119 GJJSLOUVWKIVBD-UHFFFAOYSA-N 450.345 1.732 30 10 JDEE CN(C[C@H](O)CN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)OC(C)(C)C 2267716334 LUCOORGFXROHLB-HNNXBMFYSA-N 490.453 1.896 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1COCC[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268609931 OONRACBLZRMBLX-GJZGRUSLSA-N 467.397 1.988 30 10 JDEE C[C@H](CCNC(=O)OC(C)(C)C)CCNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2268708340 ZVDIUBORCGCNCA-AWEZNQCLSA-N 451.377 1.785 30 10 JDEE Cc1c(C(=O)N[C@H]2COCCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281804676 OKWPIZIQWHXIJE-OAHLLOKOSA-N 464.372 1.393 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2281930140 IIHMYWIDSHVFJA-JLCFBVMHSA-N 462.356 1.465 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CC23CCC3)n1 2281953212 HTAHQXDYCKCZJJ-CQSZACIVSA-N 461.372 1.776 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2282045266 ZNUHUEDKBWNEQO-JKSUJKDBSA-N 462.356 1.180 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2282349571 ANBADQIHDQDVRI-QKKBWIMNSA-N 482.412 1.397 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)n1 2282494402 YXPMBWYPVJMYOM-JKSUJKDBSA-N 484.428 1.834 30 10 JDEE CN(CC(C)(C)CNC(=O)OC(C)(C)C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282498251 AUWRBDOTSMEUIV-UHFFFAOYSA-N 486.444 1.891 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(COCc3ccccc3)(C(=O)O)C2)n1 2284453539 PGJBOTHOMNIEEB-UHFFFAOYSA-N 455.320 1.463 30 10 JDEE CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@]12C 253530584 NKDFYOWSKOHCCO-CJDRCMLRSA-N 480.642 1.854 30 10 JDEE biogenic C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)Nc2ccccc2C(N)=O)nc1C 586284870 HRMIMRLEDGSIQT-WJOKGBTCSA-N 464.525 1.219 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2nc(-c3ccc4c(c3)OCO4)no2)CC1 608857241 NOFYOUALIPLMPP-UHFFFAOYSA-N 453.480 1.843 30 10 JDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1=O 732412491 GLMCVUSTMFIAAN-UHFFFAOYSA-N 451.449 1.342 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(C)n(-c3ccc(Br)cn3)c2C)CC1 1157009508 OROCPSHDYPYPRC-UHFFFAOYSA-N 458.360 1.759 30 10 JDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1214778615 ASXKNVDWKNJRHV-UHFFFAOYSA-N 455.508 1.655 30 10 JDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286356206 LOMYFKQFRHTTTI-HNNXBMFYSA-N 450.590 1.153 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(O)cc2)n1 1286470660 BCWWQHQNBAVUOG-LJQANCHMSA-N 484.582 1.417 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc2cnccc2c1 1286781527 SMVYXJFCRZXQEK-OAHLLOKOSA-N 457.560 1.375 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1C(F)(F)F 1286781529 SNSVEXQNHFBRGH-ZDUSSCGKSA-N 474.509 1.846 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1286793925 PWXXHEBNXVVWJJ-RUZDIDTESA-N 498.632 1.781 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2C)CC1 1286819661 RLDNKRLXQQUXPC-HXUWFJFHSA-N 472.615 1.461 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2F)CC1 1286823501 VLXGNMQULLTFCB-UHFFFAOYSA-N 471.562 1.725 30 10 JDEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1300483942 PNUOQOGZZZPBJH-WBVHZDCISA-N 475.640 1.894 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1300489107 IVPXCDIDCRDLHE-HNNXBMFYSA-N 484.003 1.197 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccco2)N(C)C)CC1 1300723638 YFOVBNRBDXIFIA-ZWKOTPCHSA-N 453.547 1.091 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)CN3CCOCC3)CC2)nnc1C(C)(C)C 1300895637 ASVXJYCNSMEUJO-CTNGQTDRSA-N 460.623 1.538 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1300990193 IQVNVCLUUDNAQV-IRXDYDNUSA-N 450.565 1.848 30 10 JDEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)c1ccccc1 1301009140 HELGHAOEYDVJIY-RBUKOAKNSA-N 464.613 1.907 30 10 JDEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1301454121 LUHAMIAFJBNACL-QGZVFWFLSA-N 480.573 1.443 30 10 JDEE C=CCNC(=O)Cn1c(N(C)CC(=O)NC(C)(C)C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301519609 QEFUFNXQSUZSSS-IYBDPMFKSA-N 477.610 1.702 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1301587461 PBABXABMWRTCFL-HXUWFJFHSA-N 471.587 1.275 30 10 JDEE COCCN1C[C@@H](Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cccc(C#N)c2)CC1=O 1301862152 FYSFHCDHXYGGJK-FQEVSTJZSA-N 465.558 1.403 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CN(Cc3ccccc3)C[C@]2(C)c2ccccc2)CC1 1302925104 WPJZGVVKABPCDV-AOYPEHQESA-N 480.634 1.688 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@H]1CCCN1CCCO 1303414009 GDNGONDOYLATNM-VXKWHMMOSA-N 481.601 1.713 30 10 JDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(NC(=O)N(C)C)cc1 1359026801 KSXQFLHXZNMIID-UHFFFAOYSA-N 453.547 1.628 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCSC2)n1 1359028266 MJXZMXQHRMLJIG-RTBURBONSA-N 492.671 1.806 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1359045130 XTCFDVRHQHYUFZ-HXUWFJFHSA-N 466.561 1.995 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359183376 JUHAMBUXKVQRNF-OAHLLOKOSA-N 464.596 1.077 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1359189859 XDSAWBLRFROKEM-WOJBJXKFSA-N 496.678 1.514 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(=O)NCCOC)CC1 1359293221 KJNBBDSPKVMKGD-UHFFFAOYSA-N 494.394 1.317 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2nnn(C)n2)C1 1359312529 WIZNHWFUYNZHFJ-MRXNPFEDSA-N 457.926 1.215 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1CCCO1 1360703764 CWUQIKAIXMHRAG-DOTOQJQBSA-N 477.566 1.405 30 10 JDEE C#Cc1ccc(S(=O)(=O)N2CCN(c3ncc(I)cn3)CC2)cc1 1464207834 XQIPXYYEJXQOIV-UHFFFAOYSA-N 454.293 1.573 30 10 JDEE C#CCN(C(=O)NCCOCCS(C)(=O)=O)[C@H]1CCOc2ccc(Br)cc21 1468883613 FBBAWCSHUPNHDB-INIZCTEOSA-N 459.362 1.979 30 10 JDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1493168366 DKVJOBWJKCQHDV-NQIIRXRSSA-N 478.601 1.426 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCO[C@@H]1C 1504873313 DTFCVYCTQYSSMJ-ICPLQIHGSA-N 454.531 1.294 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCC2(O)CCOCC2)c1 1507550277 WHJQHPRONLVSBM-UHFFFAOYSA-N 463.542 1.666 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1507573238 FTZMAJPDICXPFD-QGZVFWFLSA-N 450.609 1.531 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1507623693 VTBBRWHHIVMIIZ-MRXNPFEDSA-N 457.547 1.869 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1507640595 UFADENSUUNJYPC-FQEVSTJZSA-N 457.600 1.558 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCS(=O)(=O)CC1 1507664571 MXSPKGFSBYLGQC-UHFFFAOYSA-N 464.555 1.209 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@]2(C)COCCO2)CC1 1507740672 OZFVOYLFKFDWFY-VWLOTQADSA-N 467.570 1.937 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCOc2ccc(F)cc2)CC1 1507741358 ZYZFZMBZDZAQAY-UHFFFAOYSA-N 482.560 1.975 30 10 JDEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1507829705 BHWJZSWDSVDRQM-GOSISDBHSA-N 451.531 1.763 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1508058543 BZWLUIJYHDUPSA-GJZGRUSLSA-N 489.524 1.854 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1508071846 GBLVMHIIMWUICC-QGZVFWFLSA-N 469.546 1.845 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(Cn2ccnn2)CC1 1508084715 AMEWWZBKQUORKN-UHFFFAOYSA-N 450.547 1.688 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(N2CCCC2=O)CC1 1508090376 HOWFTZANWIDCOA-UHFFFAOYSA-N 471.587 1.163 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)ccc1F 1534269871 CTDXHXHQEYYCAO-CQSZACIVSA-N 459.507 1.079 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cc(Br)c[nH]3)n2Cc2nnn(C)n2)c1 1539040550 WGBJBSZHBGWRTE-UHFFFAOYSA-N 495.345 1.664 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC(=O)NCC(F)(F)F)c1 1539044223 ZPYVAHQPJQMWOA-INIZCTEOSA-N 478.475 1.907 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(c2ccc(F)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 1539200616 MGKJMACFHXTUNN-LJQANCHMSA-N 473.574 1.914 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1539201896 CMQIRPCVEDLBEP-QGZVFWFLSA-N 468.514 1.740 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(C(=O)NCC)cc1)[C@@H]1CCS(=O)(=O)C1 1539221029 NFIULYIZKOUDDB-NHCUHLMSSA-N 485.610 1.944 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@@H](C)OC)CC1 1539477486 OGVBVDURHRDRGN-QGZVFWFLSA-N 477.569 1.676 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1539828009 CSZUBBMDMWQUOG-BZSNNMDCSA-N 454.641 1.933 30 10 JDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1540857062 UNBLJCZSKPABHD-SJORKVTESA-N 475.619 1.792 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1540893958 NUJICZXMGTXGHR-IBGZPJMESA-N 464.563 1.729 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccccc2C)CC1 1540897962 WQCLGWROMREXQL-UHFFFAOYSA-N 474.631 1.648 30 10 JDEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCNC2=O)CC1 1541136930 FIQXPRYMYUIWHG-UHFFFAOYSA-N 464.574 1.973 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1555557740 BROXIIKJMDGGGI-UYAOXDASSA-N 455.563 1.817 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)ccc1F 1557173602 PURSFBOJKGOIMI-CYBMUJFWSA-N 451.442 1.963 30 10 JDEE Cn1c(=O)c2cc(C(=O)N3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)cnc2n(C)c1=O 1568490135 FKRHWKNMYYFXSF-GOSISDBHSA-N 452.902 1.308 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCN(C(C)=O)CC1 1587639760 MUFVNSQCYGHYRP-AZUAARDMSA-N 489.621 1.209 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588030336 SMWDQDVWOIOAHH-SQNIBIBYSA-N 456.572 1.988 30 10 JDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1588034680 KJMGOLFXFPWLQE-PMACEKPBSA-N 457.600 1.925 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)CC1CC1 1588280425 KRUSHZLYALVUTE-UHFFFAOYSA-N 450.586 1.633 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCN(C)C1 1588558904 AXJNZVZYJFVQLR-PTLVVNQVSA-N 457.550 1.848 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](COC)C1 1589069208 IZIPAMJKVXXMIH-ZWKOTPCHSA-N 471.649 1.230 30 10 JDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1589089492 SFXNURNKNWLAIN-LAUBAEHRSA-N 487.699 1.989 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCOC1 1589216144 KSBQGKBOWALYNH-JJEOQYAHSA-N 461.563 1.730 30 10 JDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1594521433 NBLXPNHWLFZFTE-LJQANCHMSA-N 457.579 1.769 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1595522683 IOEHNDGVYUNRBH-AWEZNQCLSA-N 466.464 1.761 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 1595551315 OGEQGHUBHOKHRJ-LJQANCHMSA-N 483.598 1.071 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1595562256 RNHRLUAYQULXLG-UHFFFAOYSA-N 459.554 1.590 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1595689713 WXIQOTKDBLDMNU-MJGOQNOKSA-N 494.639 1.955 30 10 JDEE Cc1nc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)cs1 1612421129 CGYWHMLUVRHRIT-QAPCUYQASA-N 469.568 1.061 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCC(C)CC2)CCO1 1618709050 HOKOEAAZASZPPE-DENIHFKCSA-N 481.601 1.800 30 10 JDEE C=CC(C)(C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1638168827 SOILYMXUOHXUKB-UHFFFAOYSA-N 458.606 1.342 30 10 JDEE CC(C)OCCS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 1652630114 FUNWNYXAIQDROD-OAHLLOKOSA-N 454.618 1.808 30 10 JDEE N#Cc1ccc(S(=O)(=O)CCSc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1 1656119637 GKBOVTVAQVBCFW-UHFFFAOYSA-N 453.567 1.540 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689994468 YXMMNGNKYQGQNE-HYBUGGRVSA-N 472.611 1.860 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1690046838 HJONTFJDMMSXEW-HSZRJFAPSA-N 495.649 1.648 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2cccn(CC)c2=O)CC1 1690115088 REVCXNWERVOANK-UHFFFAOYSA-N 462.554 1.947 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC[S@](=O)C(C)(C)C)CC1 1690122701 ZZTAFJSKKMYOKD-DHUJRADRSA-N 495.653 1.977 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2nnn(C)n2)CC1 1690138032 QABPPRFVFLGZQD-OAHLLOKOSA-N 483.964 1.609 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CC)CCC 1690206120 HZPZYQUVEWZIOM-WIYYLYMNSA-N 452.625 1.335 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCCOCC)C1 1690229434 WBUMKNFLXAUWQZ-CABCVRRESA-N 463.398 1.721 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690247829 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C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCn2c(C)nc3ccccc32)CC1 1705633244 MUGLGQDHAIRHLK-QGZVFWFLSA-N 470.603 1.002 30 10 JDEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705727389 BHJZXUUBGIJDIM-GOSISDBHSA-N 452.559 1.878 30 10 JDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1705901590 PYWMZUZEWARQDJ-MRXNPFEDSA-N 458.567 1.651 30 10 JDEE C=CCSCCn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1705949927 NLSWQZCXBQWSEF-GHTZIAJQSA-N 485.676 1.854 30 10 JDEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)cs1 1707770553 AKYKRLYRQAUNCM-UHFFFAOYSA-N 458.569 1.971 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCn1cc(CO)nn1 1722282717 DSDBSODETIUPKK-OAHLLOKOSA-N 456.938 1.494 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CN(CC)CC 1722294010 FOLVQIGLNRTJSV-DENIHFKCSA-N 488.658 1.959 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1722301601 MMNKGEXBDHLWLG-FCHUYYIVSA-N 484.670 1.926 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1722321536 HBVUNENXKWHARE-UHFFFAOYSA-N 461.530 1.854 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOc2ccccc2)CC1 1722333323 VIPUPDGUYLUFHS-FQEVSTJZSA-N 457.600 1.795 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722363642 GWLVZGPFZVANCL-AABGKKOBSA-N 451.637 1.775 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1722370015 KFDAPTRZIYICAA-HSZRJFAPSA-N 460.582 1.969 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccc(N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 1722371710 XQHSJLINJPNUTP-NRFANRHFSA-N 473.599 1.326 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722380569 QDURQMTWDYCAHM-NRFANRHFSA-N 486.580 1.609 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1722392772 LQWNNEMOMTXMQS-OAQYLSRUSA-N 472.601 1.410 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(O)CCSC2)CC1 1722440376 DVNWQLTYACATBN-VWLOTQADSA-N 496.637 1.981 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(NC(C)=O)cc2)CC1 1722448464 VFQBHMCHZPLIHV-HXUWFJFHSA-N 463.542 1.202 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cnc2ccccc21 1722640072 ITECZXCPIBHBOE-LJQANCHMSA-N 459.576 1.673 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C1OCCO1 1722681911 VLYSHTMQWPVFDC-SFHVURJKSA-N 462.572 1.913 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1722714100 GNSMCZBKPPTGPR-UYAOXDASSA-N 456.572 1.880 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(CC(=O)N(C)C)CC1 1722729422 KGVFDDPSKHHILW-UHFFFAOYSA-N 460.604 1.559 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CCOC)[C@@H](C)C1 1722737106 SXUAHXXRRWVSEO-XUVXKRRUSA-N 483.679 1.954 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1729741039 GJNQAZDZAROSRK-UHFFFAOYSA-N 452.544 1.088 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCO[C@@H](C)C2)CC1=O 1730798868 GWADEHQUBIYVJI-AZUAARDMSA-N 468.558 1.839 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H](C)CN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1740623350 RUUNNLCUGCWJEX-UNMCSNQZSA-N 476.691 1.836 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCN(C(C)=O)C1 1740636866 GUXBBRUPXYLQSK-IBGZPJMESA-N 467.599 1.570 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCC(F)F 1740729280 CEOGTIBBIZFZNS-HXUWFJFHSA-N 465.530 1.612 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@H]1C(C)C 1740731603 DLALZXDKQXIAAI-ZVVDCOBXSA-N 465.620 1.664 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1740750392 PSGDRCKOGXNSOF-ZCNNSNEGSA-N 473.622 1.980 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Nc2cccnn2)CC1 1740751383 JNWYFHOGXLDDNU-QKLQHJQFSA-N 490.634 1.740 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1740961123 MMXJZXXALPYTSN-UHFFFAOYSA-N 486.020 1.569 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](CNC(C)=O)C1 1740988443 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C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1760248626 OZLGZEJRLAWFTA-NRFANRHFSA-N 464.570 1.990 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1760264239 GKKJHMKBOIUTOK-DEOSSOPVSA-N 477.613 1.841 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCCC[C@H]2C)CC1 1760268984 UHKNPLAEBUMXGJ-TZIWHRDSSA-N 469.634 1.850 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760351147 APFMGSYXXNUJCP-MJGOQNOKSA-N 475.571 1.876 30 10 JDEE C=C(Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)c1ccccc1 1760364083 FTRQYQGIXAKQOX-IBGZPJMESA-N 472.615 1.880 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCN(C(C)=O)CC1 1760505780 KAGYLVKHLZMQMJ-NHCUHLMSSA-N 462.639 2.000 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1760526985 KLQYQBOJUGZTRU-UHFFFAOYSA-N 468.558 1.759 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1760556057 TZBOGHFMXXKFKS-MSOLQXFVSA-N 463.535 1.547 30 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C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1507745620 CPCQKWJHCXIHIE-GJZGRUSLSA-N 470.646 1.598 30 10 JDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507847238 ISPIXVZMXJXIHR-UHFFFAOYSA-N 487.586 1.383 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)F 1508005320 WAHMEKMEHVOSJU-INIZCTEOSA-N 453.515 1.754 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCN(C)C(=O)C1 1508134599 UHWMEDHDHQRYIH-UHFFFAOYSA-N 485.566 1.996 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)NCC)CC1 1508145115 XHHUAZVLCGPMHE-UHFFFAOYSA-N 464.567 1.460 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCC2=O)CC1 1508151240 ANPWYCWBYOCONN-HNNXBMFYSA-N 456.638 1.399 30 10 JDEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1508159103 KQZLTJOPZKURKM-GOSISDBHSA-N 462.620 1.710 30 10 JDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCOCC2)cc1C 1510939005 CFWWGQXWAIZYTB-HXUWFJFHSA-N 453.547 1.598 30 10 JDEE 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1.679 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1540903773 GSICZFMMGSZWLU-IBGZPJMESA-N 470.642 1.546 30 10 JDEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)[C@@H](C)C1=O 1541565695 AUEVWCLJNYINEL-INIZCTEOSA-N 489.527 1.803 30 10 JDEE C[C@@H]1CN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C#N)c2)C[C@@H](C)O1 1545091234 CGPUKSVVOIFGQT-GUDVDZBRSA-N 489.646 1.896 30 10 JDEE CCc1nn(C)c(OC)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1546398098 FAFAYCJZGGYDND-UHFFFAOYSA-N 464.530 1.408 30 10 JDEE CC(C)(C)OC(=O)NC1CCN(CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1556457433 GCHMWXVHWASHES-FQEVSTJZSA-N 455.559 1.764 30 10 JDEE CC[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@@H](c1ccc(C)cc1)n1cncn1 1558953986 GDIIRUPCJVDXSW-IFMALSPDSA-N 452.540 1.921 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)CC1 1568701337 MOOLKALJDYUMLO-YWZLYKJASA-N 451.354 1.406 30 10 JDEE C#C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12)c1ccc(Br)cc1 1584708932 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C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 1594608621 RPUWKEARFYHTSJ-UHFFFAOYSA-N 478.601 1.806 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCN(C)C1 1595075559 HUSUGCVESAQAEZ-WMZHIEFXSA-N 475.615 1.448 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1595556536 XGKVKRITDJBLLM-UHFFFAOYSA-N 458.448 1.938 30 10 JDEE C#CC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)C(=O)OC 1626187871 KPAJBFGELCQEIM-CZUORRHYSA-N 457.346 1.531 30 10 JDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](C)N(CCOC)[C@H](C)C1 1627473892 DLWXMSRUPMRHSJ-SCTDSRPQSA-N 450.605 1.852 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCOCC2)cc1 1643158923 SSFYKUONXNSVEJ-UHFFFAOYSA-N 451.545 1.402 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCCC2)c1 1665347396 RGBGDJDHBKTOGO-UHFFFAOYSA-N 459.590 1.982 30 10 JDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N(CCC#N)CCCN(C)C 1667133233 CRNNDEILBGXQSG-UHFFFAOYSA-N 453.565 1.415 30 10 JDEE 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JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1690668932 OIUNNXJEBPVVNC-KDURUIRLSA-N 481.557 1.217 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN(C)C(=O)OC(C)(C)C)C1 1690685889 FONZDUWQSDAITK-CVEARBPZSA-N 472.612 1.537 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1690722760 UVLIOQDKZMQIIY-MRXNPFEDSA-N 464.592 1.988 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CC(=O)N(CCOC)C1 1705479358 HVAVNRUCIMJHJZ-HUUCEWRRSA-N 463.380 1.999 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)c1ccccc1 1705496091 ZNUCVWCCBWOBGB-ICSRJNTNSA-N 460.604 1.595 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705558980 NOAFJKJAADTGKW-NJYVYQBISA-N 492.690 1.801 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1705559787 BKBIKUJLXOGRRU-IIBYNOLFSA-N 498.556 1.585 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705564200 MLMBHGBORCQYJE-QPHCHLROSA-N 473.624 1.991 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1705567142 VAIZBDOOWGMNFL-AQNXPRMDSA-N 476.647 1.224 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCOc1ccccc1F 1705901227 FTBDEUKECHTSSY-UHFFFAOYSA-N 456.478 1.962 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1705934821 YISLYHSUMMUEKA-QGZVFWFLSA-N 467.617 1.653 30 10 JDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nccc(OC)n2)CC1 1722306499 KLSMCRDKSXWJQQ-UHFFFAOYSA-N 461.530 1.854 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1722358555 DCWFBMDHTNJSFV-KRWDZBQOSA-N 493.536 1.699 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1722363031 YQDMNCBOBPUNSO-KRWDZBQOSA-N 455.540 1.965 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1722363667 UTFBBJNNJBSHIZ-HNNXBMFYSA-N 451.499 1.262 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCCN1CCC[C@H]1C(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1722368968 XMFDNBIZHJQHSQ-PMACEKPBSA-N 478.663 1.046 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@H](N2CCOCC2)C(F)(F)F)n1 1722427530 LDULDGIZBMUPPX-SFHVURJKSA-N 455.485 1.332 30 10 JDEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCNC(=O)C(C)C)CC1 1722433384 TZODTDHVSGGSJM-UHFFFAOYSA-N 486.646 1.074 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CC(=O)NCC=C)CC1 1722440929 FBPNOAULZVRRJW-UHFFFAOYSA-N 473.375 1.677 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)cc1N1CCOCC1 1722449316 UEPIDTJGJCEFOE-FQEVSTJZSA-N 452.559 1.509 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722466543 YSDWGGACDVGALZ-PKTZIBPZSA-N 471.583 1.689 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722493644 JIRJTYXDXMBYLD-SQNIBIBYSA-N 466.608 1.013 30 10 JDEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCNS(C)(=O)=O 1722522207 DVJIHFUHFXEEFZ-INIZCTEOSA-N 456.613 1.954 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1722527773 ADBYMBCQBNLPLK-AVRDEDQJSA-N 463.604 1.887 30 10 JDEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1722628961 DQXJXMDRDVIFQR-OTWHNJEPSA-N 490.605 1.894 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722699975 RLHNLBLXSQDKGW-QHCPKHFHSA-N 485.976 1.639 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CN2CCOCC2)CC1 1722700065 UZNWVQXQTRIZSW-UHFFFAOYSA-N 474.556 1.998 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2[C@@H]1C 1722723633 BCJBOYPGGCQWED-CABCVRRESA-N 453.590 1.570 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1722727971 RUSFLWHZDXERPG-ZWKOTPCHSA-N 454.593 1.895 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c(C)noc2C)c1 1740564370 LCGOTPAJBBOGEJ-GOSISDBHSA-N 482.566 1.890 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCO[C@H]1CCOC1 1740639439 BNGVIZQFJPGAHR-VQTJNVASSA-N 473.574 1.855 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCO[C@H]1C 1740680464 CIPQHVHSGHLIDB-LIRRHRJNSA-N 452.353 1.672 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(Cl)cc2)CC1 1740695943 HUCCOIZIYKQHCX-HXUWFJFHSA-N 493.033 1.262 30 10 JDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1740720837 OXBSGEHELGOWNW-LJQANCHMSA-N 462.645 1.738 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(C2CC2)C1 1740774754 ZSBLELDLTZRZSS-IEBWSBKVSA-N 452.625 1.498 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(F)(F)F)CC1 1740792231 GLEKCGMIBJTLSH-INIZCTEOSA-N 479.525 1.903 30 10 JDEE C=CCOc1ccccc1Cn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 1740970719 BNRIZGRLHFUVHQ-YKSBVNFPSA-N 471.558 1.495 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1740983706 NZBNLXRFNJXXKO-SIKLNZKXSA-N 462.572 1.231 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(CCCO)CC1 1740990632 XXKJJUWVTBHDBL-UHFFFAOYSA-N 465.576 1.596 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCCN2CCC(O)CC2)c1 1748694370 GVXJZKDBKQCLTD-UHFFFAOYSA-N 493.612 1.304 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@](C)(O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1748811109 BTGGAGQSFRXSQN-PGRDOPGGSA-N 486.985 1.923 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1748846918 MMJPQJQASOYRAC-HSZRJFAPSA-N 491.614 1.015 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(N2CCOCC2)c1 1748947954 AZKULKQRXQZFTO-UHFFFAOYSA-N 452.559 1.485 30 10 JDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1748992895 JPNPUKIGRCLFHL-GHVJWSGMSA-N 481.507 1.429 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2CC)CC1 1749005422 WDRLDNQDHHEXDB-QGZVFWFLSA-N 472.615 1.465 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749175917 ULMYMZRCMTUTFU-GOSISDBHSA-N 473.603 1.812 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Nc2cccnn2)CC1 1749402034 HYEBLMQJOHUZFN-IBGZPJMESA-N 490.634 1.838 30 10 JDEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749452363 XBTWUHFCQQSAKN-UHFFFAOYSA-N 468.602 1.827 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCN1CCOCC1 1749669096 BUVAXQZFFYQBBT-LJQANCHMSA-N 491.637 1.463 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@]2(CCSC2)C1 1749740587 GWWCCCCPOFSUKZ-ABSDTBQOSA-N 456.634 1.936 30 10 JDEE C[C@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1752430562 HPMQJOMRSWXZCH-INIZCTEOSA-N 456.572 1.953 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1760187060 HDFUDHUDZRGXOV-RTBURBONSA-N 471.583 1.497 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1760208538 VJCAGLCDFCWKND-FQEVSTJZSA-N 461.570 1.645 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(C(N)=O)nc2)CC1 1760254867 NPPACRYURWNRIY-UHFFFAOYSA-N 483.374 1.344 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1760281695 PVLFMZYJJPIKFD-SJORKVTESA-N 454.618 1.321 30 10 JDEE C#CCSCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@@]1(OCC)CCOC1 1760286523 NGGRSIZSOOYJAN-HSZRJFAPSA-N 467.599 1.890 30 10 JDEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760343863 ZCFOHHJIKFSUFC-KRWDZBQOSA-N 454.531 1.464 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2sccc2C1 1760356958 AIOUOXLEOMXTOT-KRWDZBQOSA-N 467.617 1.828 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1760521322 PUSBGEZPNGCQPK-IAGOWNOFSA-N 476.484 1.711 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1760525890 VNRGKCBZQYRGQZ-QFIPXVFZSA-N 461.570 1.422 30 10 JDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760527285 RCVOAOPHBYXBDK-URXFXBBRSA-N 493.656 1.744 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1760557183 BYYRBRHZESMKGR-RDJZCZTQSA-N 479.628 1.874 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)CCOC)C1 1765671959 HSNDELKIEMXODL-GHTZIAJQSA-N 462.576 1.122 30 10 JDEE Cn1c(SCCC(=O)N[C@H](CO)C(=O)Nc2ccc(C#N)cc2)nnc1-c1ccccc1 1867073197 OUXKHZBLLZATDY-GOSISDBHSA-N 450.524 1.952 30 10 JDEE C=CCN(CC=C)c1nc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)n([C@H]2CCS(=O)(=O)C2)n1 1870002683 UXMNSIPWEMJXHO-HOTGVXAUSA-N 498.565 1.439 30 10 JDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)/C=C\c3ccc4c(c3)OCCO4)cc2C1=O 1870141293 KCVZXNWMVVCGPJ-CLTKARDFSA-N 456.418 1.788 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)C3CN(c4ncc(Cl)cn4)C3)CC2)CC1 1889395645 BPLOTQWFACGPAD-UHFFFAOYSA-N 461.010 1.215 30 10 JDEE N#CCNC(=O)C[S@@](=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990675279 RRKMWTPRLPGFET-BPJXYHRLSA-N 469.519 1.757 30 10 JDEE CCc1nc(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2255808942 QGJNZYWQMJUPGD-GFCCVEGCSA-N 455.386 1.620 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@H]1O 2267135381 BVBGDLHOJARKDB-UMVBOHGHSA-N 450.345 1.103 30 10 JDEE CN1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H](CNC(=O)C(F)(F)F)C1 2267138205 TVZCUGNTMDJIHO-CYBMUJFWSA-N 461.315 1.482 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H](O)CNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267469074 PMZVFMSSVJKEKH-QGZVFWFLSA-N 470.397 1.291 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CC[C@@H]1CO 2267490628 QVICEJVTAZEAIO-ZBFHGGJFSA-N 450.341 1.927 30 10 JDEE CO[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@@H]1NC(=O)OC(C)(C)C 2267493866 NXPYGDOOHQPRHQ-GJZGRUSLSA-N 450.345 1.083 30 10 JDEE CCn1cc(C(=O)N2C[C@@H](NC(=O)C(F)(F)F)CC[C@H]2C)nc1B1OC(C)(C)C(C)(C)O1 2282034541 JMEDOPXIWHFXFQ-OLZOCXBDSA-N 458.290 1.874 30 10 JDEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(O)(CNC(=O)OC(C)(C)C)C1 2282053508 IOFQSTQIRSECTK-UHFFFAOYSA-N 462.352 1.706 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)C2)n1 2282062542 ZWSXRPVPDCGNOR-GOEBONIOSA-N 464.372 1.067 30 10 JDEE CO[C@@H]1C[C@@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2282176727 WAEQJAFBMFDPIO-LSDHHAIUSA-N 462.356 1.530 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2282184767 XQNBGTUUVLFKQL-OAHLLOKOSA-N 463.388 1.881 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C1(C)C 2282188146 RNRMDQYJWGXVSS-ZIAGYGMSSA-N 463.388 1.784 30 10 JDEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2282489880 IBKOZJPZMFLWTH-JOCHJYFZSA-N 484.424 1.681 30 10 JDEE CCc1nc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(B2OC(C)(C)C(C)(C)O2)s1 2282509363 JQIVPVPPAACSJZ-KGLIPLIRSA-N 481.424 1.962 30 10 JDEE COc1ccc(C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2282651883 HFEFWFAMXVCROZ-HNNXBMFYSA-N 464.368 1.952 30 10 JDEE CC(C)(C)OC(=O)N1CC2(COCCN2C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282671514 WENWZOHIHDOKAK-UHFFFAOYSA-N 459.352 1.843 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 2282700656 RVGJRFMOYITNCX-QGZVFWFLSA-N 463.384 1.861 30 10 JDEE C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282836750 ONWYSBHXZSZXEL-ZIAGYGMSSA-N 485.416 1.181 30 10 JDEE COC(=O)[C@@H](CS(=O)(=O)N1CC[C@@H]2SC(=O)C=C2C1)NC(=O)OCc1ccccc1 2286050523 BPKBPHBYGKSVRV-CVEARBPZSA-N 454.526 1.058 30 10 JDEE CN(C)CCCN1C(=O)C(=O)C(=C(O)c2ccc3c(c2)OCCO3)[C@]12C(=O)N(C)c1ccccc12 2296340290 GJGRJXGTYBVKML-AREMUKBSSA-N 477.517 1.962 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CSCCN(C(=O)OC(C)(C)C)C1 2337202287 HESKWLAMYZAMQR-AWEZNQCLSA-N 466.413 1.802 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1 2342473386 HGNGSAXGZTUVKC-NXLNFEJXSA-N 454.373 1.802 30 10 JDEE Cc1ccc(S(=O)(=O)O[C@@H](CNC(=O)c2ccccc2)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)cc1 32107082 SWBPQSVMHVYIPY-UDGWLPKNSA-N 477.535 1.736 30 10 JDEE COc1ccc(/C=N/Nc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)COc2cccc(C)c2)cc1 34829313 OGKOFZRAAFZLCK-BIXBROTJSA-N 478.509 1.626 30 10 JDEE CCn1c(Cn2nnc(-c3ccccc3)n2)nn([C@H]2CC(=NNC(N)=S)[C@H]3OC[C@H]2O3)c1=S 254704964 UNELMHJXMXOYRZ-VBQJREDUSA-N 486.587 1.011 30 10 JDEE C=C[C@H](O)C#CC#CC[C@@H]1O[C@@H]1CCCCC[C@H](O)[C@@H](O)CNC(=O)/C=C/c1ccc(O)c(O)c1 257371705 XTBIGWUJSMQMKL-JBCNWMLZSA-N 483.561 1.611 30 10 JDEE biogenic COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cc(C)ccc1F 729668601 AKADZSSJEMDUKM-MRXNPFEDSA-N 491.548 1.648 30 10 JDEE C#Cc1cccc(N(C)C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 1136643673 SHHVZXHLCKIZJX-SFHVURJKSA-N 457.508 1.015 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1286339997 RUJSQRKSJLVWGU-OAQYLSRUSA-N 470.643 1.978 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(F)ccc2F)CC1 1286342461 QQCQPUJFKXDLNV-HNNXBMFYSA-N 452.531 1.907 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1286382405 RUBFLFRNLQCSKP-HTAPYJJXSA-N 477.587 1.161 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1286385194 VSQMOYNVGSWUOX-AUSIDOKSSA-N 474.583 1.614 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1286397016 QYAJYSQTKQADLG-LJQANCHMSA-N 461.636 1.354 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccnc1N1CCOCC1 1286400711 FHIYWIZSELSLOF-UHFFFAOYSA-N 490.589 1.701 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1286508591 JEGNHZDHCPBTLR-QGZVFWFLSA-N 462.597 1.954 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1286557631 WVJYMODUFQMLCL-MLYOOKFZSA-N 465.620 1.656 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1286673063 TYAQSPZIEVXDCO-OALUTQOASA-N 482.651 1.518 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1COCCO1 1286749418 RNKLZXQNAZLVFK-PKOBYXMFSA-N 497.643 1.671 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](COC)C1 1286788417 WBTGJNIOSHNKDN-MSOLQXFVSA-N 478.594 1.546 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@](F)(C#N)C1 1286791099 UKFHRKPOYADZFP-DEOSSOPVSA-N 466.565 1.387 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](Cn3nc(C)nc3C)C2)nnc1[C@@]1(OCC)CCOC1 1286793554 YQBORYUALAPPDY-WMZHIEFXSA-N 472.594 1.357 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCCN2CC)C1 1286810322 POXNLLRABSLDSI-XUVXKRRUSA-N 482.651 1.267 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OC)CC1 1286820462 LTKGORIEVUQGQT-GOSISDBHSA-N 477.543 1.280 30 10 JDEE Cn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)cn1 1298827241 BTCBRRTZFWWZFK-KRWDZBQOSA-N 454.560 1.364 30 10 JDEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(C(N)=O)CCCC2)cc(OC)c1OC 1299856579 AWBGXVCNTSEUBB-MRXNPFEDSA-N 470.530 1.745 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(N2CCOCC2)CC(OCC)C1 1300320250 FIXMHSATDKCFKV-JNDNBTNTSA-N 486.642 1.997 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1300485168 XZCNQZHOYAEHNS-IAGOWNOFSA-N 466.535 1.574 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCCN(C(C)=O)C1 1300545562 RVTZVYJHRULUGA-VWLOTQADSA-N 487.652 1.974 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCc2nccn2C1 1300657301 KMPFQJDYKRATIO-GOSISDBHSA-N 468.583 1.894 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCCC2(C)C)CC1 1300727439 XUYXCTGSGNOOPP-MBSDFSHPSA-N 477.631 1.087 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1300729258 SHVKJNDOKHVDQR-REPLKXPHSA-N 456.591 1.570 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1300744924 BYTNWXILPXLMKK-UHFFFAOYSA-N 472.615 1.539 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCC(F)(F)F 1301339343 MVABGUYGGIZTHI-INIZCTEOSA-N 461.448 1.972 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1301475464 RSIATSBUQQEBFR-GOSISDBHSA-N 467.574 1.365 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1301499430 BVDOMRJPURUYAT-IEBWSBKVSA-N 492.577 1.046 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(O)cc2)C1 1301558040 SPIJHVXWDNXPKT-VQTJNVASSA-N 477.587 1.341 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCNC(=O)[C@H]1CC 1301567967 AYAZWLJGTQKAPZ-DOTOQJQBSA-N 465.551 1.873 30 10 JDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)c1 1307739481 ZNYVRSRJZRWRFQ-OAQYLSRUSA-N 451.531 1.127 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(c2ccccc2OC)C1 1358949187 VHQCBUXACGQQSE-GHTZIAJQSA-N 488.614 1.216 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1358955581 OXELXQBUEAIRAG-QGZVFWFLSA-N 474.587 1.615 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1358958354 MOKTUFWGPLKGKQ-GOSISDBHSA-N 494.639 1.790 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCOCCS(C)(=O)=O 1359063515 VYPPHEBSWCPRHO-JOCHJYFZSA-N 494.017 1.915 30 10 JDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1359075805 GOHZXWXEAXMKLB-IAGOWNOFSA-N 467.412 1.970 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1359121703 DRAXDKHMIHEVSS-RTWAWAEBSA-N 490.630 1.043 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCCC[C@@H]1C 1359240369 MOOFBFAEDRZPCY-OALUTQOASA-N 454.641 1.888 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1359287441 DEVNHKUYUVYRTG-OALUTQOASA-N 469.608 1.352 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCN1CCOC(C)(C)C1 1359296466 KFZUSAIGQRTFRN-UHFFFAOYSA-N 470.574 1.566 30 10 JDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1359303496 QMGQQTLDYKCNAM-UHFFFAOYSA-N 452.559 1.433 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCNC(=O)C(C)C)C1 1359318522 GUURHFRXIQEFNB-KRWDZBQOSA-N 465.558 1.746 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1COCCO1 1504872657 GIMAAEQQBMWAAB-HXUWFJFHSA-N 454.531 1.454 30 10 JDEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)C1 1505142066 AEFFHVGXZNWUSL-OALUTQOASA-N 474.587 1.531 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccsc2)CC1 1507557017 NEJYYEOITQSCOP-MRXNPFEDSA-N 464.617 1.716 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1c(C)nn(C)c1C 1507564245 NKTHLQRRIYBTNJ-LJQANCHMSA-N 463.608 1.401 30 10 JDEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507578215 XVCLQYURTFRNAU-UHFFFAOYSA-N 476.379 1.622 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1507625329 ICABLCRMNGMUHB-RDPSFJRHSA-N 493.674 1.820 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507630754 GWRNYQZWTRNHOF-DLBZAZTESA-N 489.602 1.665 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1507633354 RUUPNLBTYULDBE-QZTJIDSGSA-N 487.582 1.312 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1507640489 SWKJVKSNVIJMCK-MRXNPFEDSA-N 459.503 1.968 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(O)CCCCC2)CC1 1507719206 ZKARLBRNAGZRNR-UHFFFAOYSA-N 457.600 1.799 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOC2=O)CC1 1507740896 QNMTUZAADLEEJY-UHFFFAOYSA-N 491.552 1.537 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(S(C)(=O)=O)CC1 1507810970 ZHNZPKGORPAAQB-APWZRJJASA-N 494.643 1.332 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1507872979 HIGVSNWXHGHHMA-CRAIPNDOSA-N 493.012 1.416 30 10 JDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1508075131 UFCSSJNKPJIXGZ-HXUWFJFHSA-N 488.596 1.943 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1508130377 HUEUGCSDCFKVSG-RDJZCZTQSA-N 478.550 1.372 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1508131157 LAVKASKTFXDWEY-FQEVSTJZSA-N 487.582 1.450 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1508134929 IWXPLSVYZOCVSF-INIZCTEOSA-N 496.387 1.949 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1508140879 QUJSYFYZWJPJBJ-ICSRJNTNSA-N 478.663 1.573 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1515964246 AMOVEBQNCBYGOS-MRXNPFEDSA-N 453.547 1.558 30 10 JDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)C[C@H]1C 1519205619 FJCFQTJHFGNELE-HXUWFJFHSA-N 480.617 1.138 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccccc1C 1539012932 HEEHIFWNVDCZAN-ICSRJNTNSA-N 461.588 1.846 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1539124367 FGZIIEHVBNNPAA-RTBURBONSA-N 494.662 1.403 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1539200432 IJYBRKCJFXNJAW-UXHICEINSA-N 473.599 1.301 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1539220262 QYGCQJQBNRIHIH-OAHLLOKOSA-N 475.525 1.434 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1539229494 DZTSVDWNWYVFFY-UPTQXZAWSA-N 494.614 1.924 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1539429034 ZRWBHOGNUNWKDU-UHFFFAOYSA-N 470.599 1.480 30 10 JDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H](CCC)OC)CC1 1539446464 ZUWICKKTROVRLS-SFHVURJKSA-N 459.620 1.809 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCN(C(C)=O)CC1 1539542256 WOVJAGYAYHRVDL-DNQXCXABSA-N 458.607 1.475 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1539620759 NLLIXDIAIUUGOG-BLIXFSHQSA-N 473.599 1.997 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1540875413 LEGMORZKOAPSQL-QGZVFWFLSA-N 457.466 1.568 30 10 JDEE C=CCNC(=O)Cn1c(N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1540876051 GDKHSICKKIZGGD-NXMSCROESA-N 490.605 1.536 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccc2F)n1CCC(=O)N(C)C 1544581926 BYTZSKSULKMPFQ-INIZCTEOSA-N 463.521 1.939 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2CCS(=O)(=O)N2CCSCC2)C1 1555984852 CUEJRAIXESXJNE-QAPCUYQASA-N 458.585 1.340 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ncccc2F)CC1 1587706569 RBFZDHVOYFTYCR-KRWDZBQOSA-N 463.583 1.943 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1587808737 WIIZPYKKMHIDML-KRWDZBQOSA-N 498.613 1.273 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccc(C)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588024729 KHLFCQGWSBBLDY-LEWJYISDSA-N 486.642 1.654 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588069287 KYQKIWJWYWJFEL-GHTZIAJQSA-N 473.647 1.498 30 10 JDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1588090599 YYCJRTMLVYJWCF-RXVVDRJESA-N 469.508 1.656 30 10 JDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCCS1(=O)=O 1588673063 LQJXIXLDNIFJEU-MRXNPFEDSA-N 465.601 1.323 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1588806227 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C#CCNC(=O)CN1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1627014753 CZCUVQPDMHGOEO-IQJRZOLZSA-N 457.575 1.057 30 10 JDEE Cc1cnc2c(S(=O)(=O)N3CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC3)cccc2c1 1660725159 BTIDVELXNURJSZ-INIZCTEOSA-N 451.574 1.186 30 10 JDEE C#CCNC(=O)CN1CCN(S(=O)(=O)[C@@H]2CCc3cc(Br)ccc3C2)CC1 1662587595 FLZRJBHFSSUFSK-GOSISDBHSA-N 454.390 1.003 30 10 JDEE N#C[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc(OCC(=O)NC3CC3)cc2)CC1 1666202191 FKGQNTMHLLFLJQ-QFIPXVFZSA-N 454.552 1.915 30 10 JDEE COc1cc(OC)cc(N2CC[C@@H](NC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)C2)c1 1678379713 AYWKDEPIFZEVCG-IAGOWNOFSA-N 451.531 1.864 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)NC[C@@H](c2ccc(OC)c(OC)c2)N2CCOCC2)CC1 1681350482 RQHNVZCGWFYNOA-FQEVSTJZSA-N 458.559 1.248 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1689913354 MOEPIZWQVVZFGW-SIFCLUCFSA-N 452.581 1.405 30 10 JDEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1689982516 PCFAXFLWIZNPBI-ROUUACIJSA-N 495.399 1.750 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CC1(N(C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689986097 IOBONBJIFFPZDJ-HXUWFJFHSA-N 471.627 1.991 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689986277 MHVZAQCJUFOEOJ-QGZVFWFLSA-N 458.588 1.549 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccc(C(N)=O)c1 1690003007 ADUGMLVTUBWGPJ-UHFFFAOYSA-N 475.578 1.767 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCOC2)n1 1690109185 JLZIAHWIJXKMCP-OALUTQOASA-N 476.603 1.090 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](OC)[C@H](C)CC)CC1 1690145892 AKPIVZDSQXRWOD-QRQLOZEOSA-N 465.620 1.207 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1690154773 YZOMRMBKZSASAV-UHFFFAOYSA-N 472.537 1.775 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2noc(C)n2)CC1 1690181310 UHANIXOTXOWDQK-UHFFFAOYSA-N 458.592 1.171 30 10 JDEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1690428232 JNLAYWZNOLMLKW-UHFFFAOYSA-N 474.591 1.921 30 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474.587 1.514 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CC[S@](=O)C(C)(C)C)CC1 1705647988 OOTVXIHOTPUYCR-UMSFTDKQSA-N 488.614 1.519 30 10 JDEE C#CCSCCn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1705665559 XTGGNQCHEFZXDY-QHCPKHFHSA-N 476.647 1.041 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)N(C)C 1705669345 JMUCMBYEZGDDBL-QGZVFWFLSA-N 455.382 1.919 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)NC)c1 1705875672 BYHSMGXDJLDEON-IBGZPJMESA-N 474.587 1.197 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705898667 STODUFMAKMZBIR-UHFFFAOYSA-N 472.981 1.040 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OC)CC1 1705908581 DJKIFRFHFRSMKU-INIZCTEOSA-N 477.566 1.541 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722360443 HRRIUCYQHGTYFU-KRWDZBQOSA-N 474.587 1.834 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722363453 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C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722491058 HBCLKAHKYWDEHS-OKYOBFRVSA-N 471.624 1.453 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](CC)C1 1722629131 FZYHXGCGEYPEDS-IAGOWNOFSA-N 459.638 1.536 30 10 JDEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722687886 RFPXURNLYHTPPQ-UHFFFAOYSA-N 452.559 1.931 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCNS(C)(=O)=O 1722694001 IDTSEQVNKWWGJE-UHFFFAOYSA-N 485.408 1.304 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722694773 HXTYYLQPJWJFGY-WIYYLYMNSA-N 451.575 1.236 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1722729641 RYABJQIFLFKAEV-SFHVURJKSA-N 463.991 1.934 30 10 JDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1 1727103164 HYWFATURAHTZTL-SFHVURJKSA-N 478.601 1.380 30 10 JDEE CCN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)CC1)S(C)(=O)=O 1728333309 GIIXFZWJEWWXQB-YTTGMZPUSA-N 490.655 1.978 30 10 JDEE CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1728720029 DMHLVQRGSPKNCQ-QGZVFWFLSA-N 455.519 1.532 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ncccc2F)CCO1 1729680731 GXUPIWXUDZNNMS-SFHVURJKSA-N 451.462 1.381 30 10 JDEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CC2)cc(OC)c1OC 1729969603 BSEIRQYOZYUAST-FQEVSTJZSA-N 479.534 1.990 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CCO[C@H]2C)c1 1740565540 WHVNYQGUNHVEFC-JNLMMFOCSA-N 483.569 1.598 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cnn(C)c1 1740573408 CESTUTAUJZPSGD-RBUKOAKNSA-N 461.592 1.490 30 10 JDEE C#CCCCCn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740578075 BHUSFFNIAAWUQQ-XMMPIXPASA-N 474.606 1.295 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1740623883 CFRUNPCGIUGIRH-HNNXBMFYSA-N 474.568 1.241 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1740628523 RCFOLHBVBRMWKE-DFYVNMARSA-N 468.576 1.392 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(COC)c1)[C@@H]1CCS(=O)(=O)C1 1740628677 ZIRIRMIZTHMOAX-VQTJNVASSA-N 492.623 1.002 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCCOC)cc2)CC1 1740696375 RWJHSVNPPPBEEW-HXUWFJFHSA-N 473.599 1.009 30 10 JDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1740716859 BWIPKEHNYKSCEB-PXNSSMCTSA-N 472.592 1.784 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1740843771 PQQPIPVRSMBRKB-GOEBONIOSA-N 453.613 1.531 30 10 JDEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740871978 VGWRREVXIZWXNP-OAHLLOKOSA-N 489.374 1.829 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccoc2CC(C)(C)C1 1740952078 UCYYDGMUMUPDTC-CQSZACIVSA-N 450.565 1.372 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1740953361 CTSBLSGGBVFZRF-VOIUYBSRSA-N 487.557 1.657 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccccc1 1740987770 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C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1748719480 ZFYWECASXYYLRT-VQTJNVASSA-N 460.604 1.702 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccsc1)N(C)C 1748892336 NVKRMZNOYKRRCE-WOJBJXKFSA-N 490.655 1.438 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)CN1CCOCC1 1748945621 WCBXZHKAJHXOHP-RXVVDRJESA-N 454.550 1.976 30 10 JDEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749105338 DGICPQIQIMBYDH-FQEVSTJZSA-N 474.363 1.987 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(C)no2)CC1 1749118733 JCFAJQFLNCQBAQ-BJLQDIEVSA-N 493.634 1.488 30 10 JDEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749170927 XEWCNHZXMFXNPV-UHFFFAOYSA-N 466.995 1.909 30 10 JDEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(NC(C)=O)CC1 1749222371 GNKZMIQJEITDGU-UHFFFAOYSA-N 475.619 1.936 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(c2nccnc2C)CC1 1749677421 YWHZYLUFXGXIGP-UHFFFAOYSA-N 462.558 1.627 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1749682061 NVHGNAOKNXFIST-HXOBKFHXSA-N 462.595 1.364 30 10 JDEE CC(C)(C)NC(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1750485828 GYPABQNOFPCGHT-UHFFFAOYSA-N 460.546 1.633 30 10 JDEE CC(C)CC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CC1 1750701378 DECDTXLWRJSLAB-JXFKEZNVSA-N 454.572 1.879 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCC2CC2)CC1 1760154787 ISHKEKAXJBYTSX-IBGZPJMESA-N 451.593 1.420 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1760180708 JVAWZPIAMCHWDG-JXFKEZNVSA-N 465.601 1.256 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1760191758 MTDDUWNWGAMUHU-RDPSFJRHSA-N 488.610 1.852 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C)CN1CCOCC1 1760193320 DKYUMAMMMUMDFM-LJQANCHMSA-N 468.989 1.903 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1760274062 FTXKMRAOQGSNRU-SJORKVTESA-N 484.692 1.633 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1760280526 GKEQDMVQTZEFEA-IRXDYDNUSA-N 489.614 1.849 30 10 JDEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760357093 DMDOMMDQVLLJRQ-ROUUACIJSA-N 499.634 1.803 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760481321 TUZAJYKTGUOUQQ-VQTJNVASSA-N 493.655 1.654 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(S(C)(=O)=O)CC1 1760517707 VTXFNIQIOCXBHJ-HNNXBMFYSA-N 478.644 1.515 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccccc1C 1760522432 SYIPAXVDUZMPIQ-UXHICEINSA-N 488.614 1.563 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1760526320 KWESKJPIYPKIJH-UHFFFAOYSA-N 476.541 1.650 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1760530943 YDIHLXVVNYPNQY-AVRDEDQJSA-N 486.548 1.292 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1760554777 MGUYXYBQMBETAK-LJQANCHMSA-N 463.579 1.961 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(cccc2OC)C1 1760554876 PMRRQIYTJAHOPG-QGZVFWFLSA-N 480.612 1.352 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1760556868 SDCRTHNHLYTUAL-IBGZPJMESA-N 455.588 1.982 30 10 JDEE COCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1769190016 BQDCWCBKKMPBEL-UHFFFAOYSA-N 476.603 1.919 30 10 JDEE CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)ON1C(=O)c2ccccc2C1=O 1772792133 HKGJEHQOLXZRAQ-HNNXBMFYSA-N 452.485 1.980 30 10 JDEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCNC=O)=C(N)Oc2c1c(C(F)(F)F)nn2C 1864322469 NTQWTIPBVINLQV-OAHLLOKOSA-N 479.459 1.951 30 10 JDEE N#Cc1cccc(N=c2nc(N3CCC4(CC3)OCCO4)[nH]c(N3CCC4(CC3)OCCO4)n2)c1 1871731717 YGWAWGXUENFYJG-UHFFFAOYSA-N 479.541 1.595 30 10 JDEE C=CCn1c(C(=O)N2CCC3(CC2)OCCO3)cc2c(N3CCN(c4ncccn4)CC3)ncnc21 1873562431 CHNFODSKSFHINL-UHFFFAOYSA-N 490.568 1.713 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)n1 2255799648 LTHLNHOWYBDFBM-JOCQHMNTSA-N 456.374 1.053 30 10 JDEE CC(C)(C)OC(=O)NOCCNS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2255933045 JUAXNCKEHMWJAX-UHFFFAOYSA-N 460.333 1.860 30 10 JDEE C[C@@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)N(C)C(=O)OC(C)(C)C 2255949477 ZDIFZLXOZWVNIT-ZDUSSCGKSA-N 458.390 1.253 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@@]2(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256623566 RNKGCLUNFYYHNR-FKANQGBASA-N 450.370 1.891 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256638289 DFUMSEYOXADOBV-RWMBFGLXSA-N 450.370 1.843 30 10 JDEE CC1(C)OB(c2nscc2C(=O)NCCN2CCN(Cc3ccccc3)CC2)OC1(C)C 2267151378 HNUOPNRFVSTBQM-UHFFFAOYSA-N 456.421 1.990 30 10 JDEE C[C@@H](O)CN(CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)OC(C)(C)C 2267375326 GAPODJAALCAOJL-CQSZACIVSA-N 490.453 1.944 30 10 JDEE Cc1nc(S(=O)(=O)N(C)C[C@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2267473940 MSOAQEURUNUKGN-ZDUSSCGKSA-N 472.417 1.561 30 10 JDEE CC(C)(C)OC(=O)N1CCC(CO)(NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CC1 2267539970 OLAXTQVWGRBYCI-UHFFFAOYSA-N 467.397 1.934 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CC[C@@H]1CO 2267558766 GVJUXFXSZFXOEO-HUUCEWRRSA-N 450.341 1.927 30 10 JDEE Cc1nc(S(=O)(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2267709214 XWWWSSQLXIGPFT-CHWSQXEVSA-N 472.417 1.608 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](OCCNC(=O)OC(C)(C)C)C2)n1 2282043164 IIDNASISGJUCQL-HNNXBMFYSA-N 464.372 1.475 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@H](CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282171918 QDBBREQBWAJOBL-MRXNPFEDSA-N 461.368 1.994 30 10 JDEE C[C@@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CC[C@@H]1NC(=O)OC(C)(C)C 2282319382 SHEHCJRGCMNQNA-KGLIPLIRSA-N 485.416 1.038 30 10 JDEE C[C@H]1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2282510155 VFZGTBPILGJVLA-RYUDHWBXSA-N 497.370 1.661 30 10 JDEE 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465.551 1.677 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1300481901 CMBJTPIVOOXDTB-HTAPYJJXSA-N 493.655 1.819 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1300495402 HBDSOYTVYLDAOK-OALUTQOASA-N 466.629 1.697 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1300754714 FSCSOHSYNPUBQZ-WIYYLYMNSA-N 470.647 1.424 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300891167 JSJLDOTZXYFWNX-XUZZJYLKSA-N 467.618 1.892 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1301019196 HYQASIIWXOIIRU-KRWDZBQOSA-N 494.021 1.988 30 10 JDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1301036840 MJMGGUMFAGADFV-CQSZACIVSA-N 470.983 1.866 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1301478668 NTEURQNXSZAZMM-SFHVURJKSA-N 475.619 1.134 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(S(C)(=O)=O)CC1 1301484119 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CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2180985719 SNIKOAWLFDDXHQ-KRWDZBQOSA-N 464.343 1.922 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC1CC(NC(=O)OCc2ccccc2)C1 2255774592 RFLXVTKFOVANAS-UHFFFAOYSA-N 490.391 1.455 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)n1 2267189540 BRSASWZCXNNNCJ-LBPRGKRZSA-N 462.278 1.905 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1 2267597350 PLCGADFTJOLLKJ-UHFFFAOYSA-N 483.378 1.893 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@]1(C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268646879 LMEROHJWUCOMHN-LHSJRXKWSA-N 467.397 1.988 30 10 JDEE CO[C@]1(CNC(=O)OC(C)(C)C)C[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268651906 RGWAWVIXQLZKDB-KWUMSVIQSA-N 468.385 1.518 30 10 JDEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2281983737 YJYIWINKRKOWTI-UHFFFAOYSA-N 463.388 1.334 30 10 JDEE CN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 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482.770 1.919 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2284052079 CKKRZBUAAANQDD-AWEZNQCLSA-N 466.319 1.617 30 10 JDEE Cc1cc(CNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2289492472 MZQDCGFNFSFMEM-UHFFFAOYSA-N 461.368 1.551 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H]2OCCN(C(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2337405463 RYMXWJJGRYKGSU-HUUCEWRRSA-N 465.381 1.903 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)n1 2359277659 LGFLOWUGMMPIFO-JYJNAYRXSA-N 460.384 1.952 30 10 JDEE C=CCn1c(=O)c2sc(N(CC)CC)nc2n(CC(=O)NCc2cccc(OC)c2)c1=O 21655875 ZHYDMDYDFZSHAR-UHFFFAOYSA-N 457.556 1.977 30 10 JDEE CCc1nnc(CN(C(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)C(C)C)o1 59888233 QKDZZIVTCDRQHW-ZVBGSRNCSA-N 490.594 1.531 30 10 JDEE Cc1ccc(S(=O)(=O)O[C@@H]2[C@H]3OC[C@@H](O3)[C@@H](OS(=O)(=O)c3ccc(C)cc3)[C@H]2O)cc1 116677262 NJSSICCENMLTKO-UEDWAMCQSA-N 470.521 1.267 30 10 JDEE C=CCOC(=O)[C@@H]1O[C@@H](OC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)[C@H](O)[C@@H](O)[C@@H]1O 575417211 OZBPANSTJDBACD-ATLSSAOFSA-N 470.474 1.101 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2ncn(Cc3ccccc3)n2)CC1 608841346 NMMPAZZOCCEMDS-UHFFFAOYSA-N 451.512 1.736 30 10 JDEE CC1(C)OB(c2ccc(CNS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)s2)OC1(C)C 704370919 BKGKOQKWLMPUPC-UHFFFAOYSA-N 476.385 1.763 30 10 JDEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)c1O 1083918134 BLBXSSCWJWRXCN-UHFFFAOYSA-N 458.460 1.791 30 10 JDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)C2=O)cc1 1156591802 HIRAMCILAWWMMQ-ZWKOTPCHSA-N 458.565 1.690 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)NC(C)C 1286407471 WIQWAYJJXBEBBT-UHFFFAOYSA-N 451.556 1.531 30 10 JDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC(=O)N1CCN(c2ccccc2)CC1 1286414648 BPTNWRORFVEKLB-UHFFFAOYSA-N 470.581 1.561 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCN1CCCO 1286432178 ZWSRGJABGUFDBM-QHCPKHFHSA-N 476.629 1.762 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1286459783 TVVCFJSQJXZHJV-UHFFFAOYSA-N 451.531 1.681 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1286495438 VQYIZJVYUXIOAT-OYRHEFFESA-N 473.691 1.875 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1286495545 YWUIBLAJQQEMNP-MOPGFXCFSA-N 498.550 1.749 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCCN(S(C)(=O)=O)CC1 1286550128 CHIJDLPKFWQSNO-QYZOEREBSA-N 471.624 1.455 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCO[C@H](C(=O)NC)C1 1286566699 SUXARRKLPLNWRE-VCOUNFBDSA-N 455.559 1.832 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1286646927 XQYYQFQAAPROBW-HXUWFJFHSA-N 488.614 1.565 30 10 JDEE C=CCn1c(-c2ccccc2OC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1286771904 LGTUHCRSBCLMJZ-UHFFFAOYSA-N 457.560 1.693 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1286814770 GGPALOUGBQGDNB-LJQANCHMSA-N 469.571 1.458 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(O)cc2)CC1 1286824555 YBNIUSKUESJCSH-INIZCTEOSA-N 466.633 1.840 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCOc1ccc(S(C)(=O)=O)cc1 1300267096 DIQAXAISWMUBNK-MRXNPFEDSA-N 468.539 1.866 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1300485322 YWKVPBJGFVZLNS-OFNKIYASSA-N 458.584 1.914 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1300497721 CNISADNUQKWCFA-QGZVFWFLSA-N 457.585 1.293 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@@H]1OC 1300528178 RTUMWOKNHCLKNL-RXVVDRJESA-N 460.538 1.799 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)C(=O)NCC 1300562027 YXFMFRQGFNNEMX-UHFFFAOYSA-N 484.626 1.821 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCCc1ccccc1 1300578860 QDMSXVURNUXCCG-HXUWFJFHSA-N 453.568 1.002 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1c(C)nn(C)c1C 1300666009 ROBSVXIFPZSAJC-UHFFFAOYSA-N 463.590 1.937 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1.686 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)CC(F)(F)F)C1 1690700191 ORBBMLSVTXTVTQ-GJZGRUSLSA-N 451.515 1.456 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCS(=O)(=O)NC(C)C)C1 1690700864 YZSJJAXTNMNNGR-FXAWDEMLSA-N 477.587 1.900 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690723168 KDKCOSJFCVDPFA-INIZCTEOSA-N 453.590 1.263 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690725441 PUJUMXUPJCYSNR-MRXNPFEDSA-N 456.565 1.232 30 10 JDEE CC[C@@H]1C[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1694818447 HZJIULFDVKDWCD-RADWXHQJSA-N 459.572 1.903 30 10 JDEE COc1cccc([C@H](Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)N(C)C)c1 1697502290 BJQWWEZYFRBIAC-UXHICEINSA-N 453.547 1.441 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1705526453 KCTHYKSWCMYVLR-MBSDFSHPSA-N 473.599 1.993 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705563254 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1705857467 GICHFRKEBALAOT-UHFFFAOYSA-N 477.569 1.827 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705890883 OGUSUZBYOXDXGY-HOTGVXAUSA-N 475.550 1.245 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1705902976 NWNKXYIWAMVHDV-HBMCJLEFSA-N 487.649 1.291 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1705903501 XBPDHYRKYJYKOH-ROUUACIJSA-N 487.605 1.410 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCNC(C)=O)C1 1705925391 OSLJYAPLCORKLA-RBUKOAKNSA-N 478.594 1.894 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1705933982 XWTQOJJMNMOMDX-KGLIPLIRSA-N 476.024 1.852 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1705936827 ZGEOYJRQMSBWNJ-SFHVURJKSA-N 477.562 1.371 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)CC1 1705938447 YXLCGIWPULLEIV-UHFFFAOYSA-N 493.605 1.898 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCNC(=O)[C@H]1CC 1705938809 JVESECKVGDRIQS-BRWVUGGUSA-N 453.609 1.512 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC(C)(C)C)nc1 1706889488 GASBYRFNESCKGA-GOEBONIOSA-N 463.564 1.238 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCO2)CC1 1710990344 DSELWSUEPAOJEX-OAQYLSRUSA-N 467.574 1.508 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCC[C@H](C)C2)CCO1 1711362620 CBSYHBPBUQYBKN-UEXGIBASSA-N 451.575 1.888 30 10 JDEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722315338 LEVANPLGJLDZJN-INIZCTEOSA-N 469.571 1.868 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1722363257 DWXQZOGSXGYQFN-NHCUHLMSSA-N 457.600 1.973 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722366295 HLFFETXRZAIJOC-ZDUSSCGKSA-N 489.476 1.559 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1722369577 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VDNVEDXTGZVHFC-VQTJNVASSA-N 461.588 1.840 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1722699654 WTNRRMBKLVSNEU-KRWDZBQOSA-N 496.634 1.224 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1722729929 BLIMDTWENKKKCJ-SFHVURJKSA-N 452.537 1.312 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCn2nc(C)nc2C1 1722730513 VCHNNNGNJDMXEG-UHFFFAOYSA-N 457.560 1.686 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)[C@@H](C)C1 1722794576 SILJQOHWJGXTCK-OXJNMPFZSA-N 465.558 1.700 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCN(CC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740615655 IOARUUIMPHQNHR-KRWDZBQOSA-N 496.634 1.300 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCC(=O)N1CCOCC1 1740680972 UPPAQUZLGVDNOQ-UHFFFAOYSA-N 479.379 1.381 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)n1 1740687442 DULCRYCXILGOIJ-DEOSSOPVSA-N 461.526 1.451 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2cnnn2C)CC1 1740708418 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C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740955191 YFBIDODJIUXFSU-GDBMZVCRSA-N 478.347 1.370 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC(N(C)C(C)=O)CC1 1740965121 ZWMHUAKPYICCHW-UHFFFAOYSA-N 456.547 1.615 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1740994426 NVQBUHNQJDTWOX-UHFFFAOYSA-N 478.663 1.356 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)c1ccccc1 1748672746 XJUYLXLNFGJNBI-CMKODMSKSA-N 460.604 1.594 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1748808796 NNSWIEVIRPUXLA-ZYSBOAIWSA-N 486.566 1.942 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1748814182 ALVMHKHCJMLZAX-ICSRJNTNSA-N 485.610 1.842 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCN(C)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1748817869 RSYLRQWLVKJZAO-FPOVZHCZSA-N 475.590 1.680 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ncccc1N(C)C 1748841251 VVCPCFNKSKDSRI-UHFFFAOYSA-N 462.583 1.820 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1.939 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](C)(C(N)=O)C1 1749724282 ICSJJVATWVHYIC-GOSISDBHSA-N 485.408 1.349 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1749740756 JKKODTWJFGDWSM-YLJYHZDGSA-N 450.565 1.216 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nnc(C)s2)c1 1760128440 HYHQUVUWLOLKIM-MRXNPFEDSA-N 485.595 1.445 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1760154150 AYMVXNZXIFJJND-KBWCOIMZSA-N 490.674 1.411 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760181303 SBZDFCYFDZDJPH-HYBUGGRVSA-N 493.674 1.679 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1760184106 VLZIXBSMRRNEHG-IBGZPJMESA-N 486.598 1.299 30 10 JDEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760190610 XVPOESZNDARFDB-QZTJIDSGSA-N 497.625 1.252 30 10 JDEE 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C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCN(CCC)CC1 1740810795 GQNDKEUIKZVISN-KRWDZBQOSA-N 461.032 1.674 30 10 JDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCC[C@H]1C(=O)N(C)C 1740897358 DLDQIDQROAZPML-FQEVSTJZSA-N 478.601 1.757 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)N1CCOCC1 1740919576 KVKFBAPYBRJXJY-INIZCTEOSA-N 480.566 1.079 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)[C@H](CC)C1 1740960294 OYJRCKBKKLESPZ-WIYYLYMNSA-N 470.574 1.640 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](CNC(C)=O)C2)cc1 1740966668 VMUDFCIMJHUUAB-FQEVSTJZSA-N 456.547 1.371 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1740989000 WTZHKPVMWJEWBZ-INIZCTEOSA-N 482.584 1.288 30 10 JDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1747418940 CFCGTBPXBHGFQP-SFHVURJKSA-N 488.614 1.857 30 10 JDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1748765294 BFSLXHBVZUNDMT-UWJYYQICSA-N 468.558 1.957 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1748803038 USLISPGWFHHAJQ-IAGOWNOFSA-N 485.701 1.672 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1748804806 LNJRNDLWRFGXFM-HFMPRLQTSA-N 493.674 1.820 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(CS(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1748812336 STMBSFVLZRSGAJ-FQEVSTJZSA-N 499.618 1.560 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccnc1OCCOC)[C@H]1CCS(=O)(=O)C1 1748812572 WZTLTMVLSOIVBH-IBGZPJMESA-N 482.566 1.435 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1748812668 YXJMYRPDZUHNPV-KRWDZBQOSA-N 459.601 1.567 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1748814183 ALVMHKHCJMLZAX-QUCCMNQESA-N 485.610 1.842 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCC(=O)NC2CCCCC2)CC1 1748971160 FVNKWFIKNWTBRN-UHFFFAOYSA-N 457.623 1.791 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1749010321 PYFPZACJLSBSER-UHFFFAOYSA-N 455.584 1.768 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1749159383 TWRUUQMGXONKGV-IAGOWNOFSA-N 486.639 1.927 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)c1ccc(C)c(F)c1 1749493541 GTTFYKWVOLEPHW-GOSISDBHSA-N 480.566 1.111 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C1[C@H]2CCC[C@H]12 1749655972 VYLOZOLYXCCNQG-ROUUACIJSA-N 458.588 1.732 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN1CCOCC1(C)C)[C@H]1CCS(=O)(=O)C1 1760182035 AXBSYKTUWADFPN-SFHVURJKSA-N 461.588 1.584 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1760190459 WONPOAJUYCCVRZ-HNNXBMFYSA-N 457.585 1.623 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1760210230 ORWNGYCZSDSGGN-RTBURBONSA-N 468.583 1.404 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@@]2(C)COCCO2)n1 1760251934 HLRCUQXONNLLKP-QHCPKHFHSA-N 451.531 1.628 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1760280901 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CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256676847 RIWQYVKXYIPBGX-MPBGBICISA-N 450.370 1.845 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C[C@H]1O 2267161488 BRAHQJWNOCEIDY-NWANDNLSSA-N 467.397 1.836 30 10 JDEE C[C@H](O)CN(CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)OC(C)(C)C 2267375325 GAPODJAALCAOJL-AWEZNQCLSA-N 490.453 1.944 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2267417828 YZQAYBGECHJBRH-ZIAGYGMSSA-N 488.437 1.696 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@]2(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2278888836 XRIGROWCAKZEKS-YUNKPMOVSA-N 466.369 1.224 30 10 JDEE Cn1cc(C(=O)NCC2(NC(=O)OC(C)(C)C)CCOCC2)c(B2OC(C)(C)C(C)(C)O2)n1 2281965960 MMVALBMJOALTTA-UHFFFAOYSA-N 464.372 1.523 30 10 JDEE Cn1cc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)[C@@H]3COC[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282035279 SUTWWVQJJHNCLU-OFQRWUPVSA-N 462.356 1.083 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H](NC(=O)OC(C)(C)C)C(F)(F)F 2282350465 NHUNZQKCTDTLBG-LBPRGKRZSA-N 498.333 1.453 30 10 JDEE CC1(C)OB(c2cc(S(=O)(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)ccc2F)OC1(C)C 2282415660 KNTWTFVGMWZFFG-SFHVURJKSA-N 480.289 1.957 30 10 JDEE CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282856943 AOVWPZMCKXHMPG-LJQANCHMSA-N 474.436 1.862 30 10 JDEE Cc1nc(NC(=O)c2cc(=NC(=O)OC(C)(C)C)[nH]n2C)ncc1B1OC(C)(C)C(C)(C)O1 2283942294 HGADCUHKTBIGGA-UHFFFAOYSA-N 458.328 1.839 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@](C)(=O)CCNC(=O)OC(C)(C)C 2315535203 XITQRZYYEQXDDX-WJOKGBTCSA-N 456.374 1.482 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)[C@H](C(F)F)C1 2362354151 QARREOQUCFPIAO-OLZOCXBDSA-N 470.326 1.950 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2362458188 QHMOHIIISSHNFV-JOCHJYFZSA-N 464.372 1.211 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cc(OC)ccc1OC 729672196 BJUZXFIMPXKQOO-UHFFFAOYSA-N 487.541 1.369 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCSc1nccs1 1286295600 JPQFSWGIKSCHQK-CABCVRRESA-N 470.646 1.708 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CCNC(=O)Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1286382373 AJHJBRONYIAFKG-LJQANCHMSA-N 461.563 1.526 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(C)OCCc2sccc21 1286421342 XCBXDIPLPRCYRB-IIBYNOLFSA-N 461.613 1.901 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCS(C)(=O)=O)CC1 1286476517 YKRRUVXVWXXKLQ-UHFFFAOYSA-N 452.378 1.507 30 10 JDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1286513128 RAWRVVHDUCPKJG-LJQANCHMSA-N 457.604 1.876 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1286585751 OFKOLCBFCRDNPN-GOSISDBHSA-N 481.667 1.378 30 10 JDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1286703991 WAFWJEARMVBLFG-UHFFFAOYSA-N 463.564 1.007 30 10 JDEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CC1(O)CCS(=O)(=O)CC1 1286744813 MWOLPJKCKSDFGC-UHFFFAOYSA-N 479.628 1.708 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1286770473 MFOLCJFQGUWLQZ-KRWDZBQOSA-N 460.604 1.571 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1286784405 GREHRBKWTDXRJA-INIZCTEOSA-N 466.521 1.784 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1286788217 SDYQJXWAZOCQNG-DOTOQJQBSA-N 494.522 1.910 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(F)(F)F)CC1 1286788622 ZWSLBIMMBJCAQP-HNNXBMFYSA-N 494.540 1.082 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286791852 FHQLAWCBDDZSNY-QZTJIDSGSA-N 457.531 1.136 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1286792061 LKBBZLCKJSMUSW-HSZRJFAPSA-N 454.531 1.807 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1286818180 CUMCJVNTSSHFIR-PMERELPUSA-N 460.585 1.710 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS[C@@H](C)C1 1286819162 CAALBQPDRCXCPU-HNNXBMFYSA-N 474.612 1.735 30 10 JDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2C)CCN1S(C)(=O)=O 1291299628 BHQNLZKWGNIMDT-CMKODMSKSA-N 488.614 1.871 30 10 JDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1297696211 HQCQDXNLYGNMDL-UHFFFAOYSA-N 468.539 1.807 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCN2CCOCC2(C)C)c1 1300330531 CBYLBXJPCLYCRD-UHFFFAOYSA-N 493.612 1.681 30 10 JDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)nc1 1300464828 IHTVKBHPXGYDBB-QGZVFWFLSA-N 455.519 1.198 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1300483773 NNPFXWRGIVVOCU-UZUQRXQVSA-N 487.582 1.067 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1300490841 CIFQANJZXDQMGB-JKSUJKDBSA-N 486.623 1.570 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1300710836 NETXSOMBZICXFK-UHFFFAOYSA-N 489.621 1.639 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ncc(CC)s2)CC1 1300715821 FJCAOEYKTPRIHW-QHCPKHFHSA-N 472.615 1.963 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](C)OC)CC1 1300719654 KWOZRPDTTKFPTL-MRXNPFEDSA-N 473.603 1.239 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)Nc2ccccc2)CC1 1300725908 LKELJIOHCJWUKA-IBGZPJMESA-N 498.609 1.175 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCNC(=O)c1occc1C 1300779558 BWFNOEQYRUEKEU-IIBYNOLFSA-N 462.576 1.602 30 10 JDEE C=CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1301426556 SYMHOQJGFPLSLI-QFIPXVFZSA-N 459.572 1.539 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1301478378 JUGCOSXOQYFSHE-CALCHBBNSA-N 462.938 1.014 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1301478698 OGEGQHMGZQIWNQ-SJORKVTESA-N 454.487 1.564 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1301585259 JPEJSVXRQQGHDE-CVEARBPZSA-N 482.607 1.324 30 10 JDEE CC(C)N1CCC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)C1 1303303240 DVQUPBXPDBKVBR-LEWJYISDSA-N 493.678 1.861 30 10 JDEE C#CCN(CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1307563861 SGZDLGKWDNBHJG-MRXNPFEDSA-N 459.490 1.603 30 10 JDEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1316353775 AVABCIHSTWLPNJ-KRWDZBQOSA-N 492.627 1.160 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1358877409 DGNDLQZWEDSHEX-AYAKEVCGSA-N 468.539 1.333 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)N(C)C 1358900071 ASJVVNZDHJZOPO-HRCADAONSA-N 454.597 1.398 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H]2NC(=O)CC2(C)C)c1 1358902594 SXNUEOMVDWIOAY-HKUYNNGSSA-N 450.543 1.753 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1358913611 SDKPZYRFXVHPIT-ZWKOTPCHSA-N 473.603 1.381 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCCC)nc1)[C@H]1CCS(=O)(=O)C1 1358962061 JPQZSKMOBRBTEY-ZWKOTPCHSA-N 472.571 1.088 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1c(CC)nn(C)c1CC)[C@@H]1CCS(=O)(=O)C1 1358964621 CICRFYQGNPTABV-LJQANCHMSA-N 481.626 1.797 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1358964778 HHMJLPZMWFZSJZ-IBGZPJMESA-N 468.558 1.976 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358966519 QYNRULUCMMMANX-SFHVURJKSA-N 491.639 1.713 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1359008791 AEWFHPHXMPTHLR-OAQYLSRUSA-N 471.627 1.645 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1359023288 GMDFRMHBKQJAKI-OAHLLOKOSA-N 456.528 1.115 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CC)C1 1359084342 FBASYZZJENJFPM-KBPBESRZSA-N 464.386 1.135 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCS(=O)(=O)C1 1359258906 GUHIGROSYYMPEL-RBUKOAKNSA-N 464.613 1.808 30 10 JDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1359283016 FKGHDYYQORXPSS-LJQANCHMSA-N 463.542 1.673 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1359291775 BMCIJAZYGGARRF-MRXNPFEDSA-N 471.537 1.853 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1359296634 PNDUCDRFHZHPRP-GOSISDBHSA-N 451.531 1.441 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCOC2(CCCC2)C1 1359326770 JGSVGCMAZNCWAK-UHFFFAOYSA-N 453.609 1.947 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCOCC1 1359328936 SNEOVNYCTSHABW-UHFFFAOYSA-N 483.616 1.023 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@H]1CCCO1 1360684737 DPJQQIDAAHWPJU-OXQOHEQNSA-N 474.587 1.987 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1503266248 GMQOBSNQNXTQNL-RXVVDRJESA-N 478.550 1.904 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2cccc(Cl)c2n1C 1507539129 RJFXWILYZCRQHJ-YOEHRIQHSA-N 492.005 1.657 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccccn2)c1 1507548588 UBJKKQRVGXYRRN-KRWDZBQOSA-N 481.582 1.582 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1507625808 LFMFXAMVXIQMHZ-SFHVURJKSA-N 489.598 1.361 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CC1(SC)CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 1507631267 NEKIAMIHERZBNF-LJQANCHMSA-N 474.656 1.794 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2COCCO2)CC1 1507715634 FMMBFJZCNDMFPV-LJQANCHMSA-N 458.950 1.032 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCCN2CC)CC1 1507733708 JCHUKBDXTPTQIA-FQEVSTJZSA-N 455.607 1.354 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCNS(=O)(=O)c2ccccc2)CC1 1507739953 MDNNYUIOIUFNCK-UHFFFAOYSA-N 498.653 1.955 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)C(=O)NCC)CC1 1507741110 LJUQVPMWVKBCDN-OALUTQOASA-N 474.606 1.130 30 10 JDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1507884734 LVCNBVHKIZGRDT-INIZCTEOSA-N 467.592 1.630 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1508094558 YUGGUPSXXGYYSW-OKZBNKHCSA-N 465.620 1.656 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)cc2F)C1 1508111116 WJUQNDGBMGPSPS-YOEHRIQHSA-N 453.540 1.866 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](OC)C(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1508149457 VMNQQRMPQLJIEE-UTKZUKDTSA-N 456.609 1.781 30 10 JDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(NC(=O)COC)CC1 1539096233 VJQWYCSQTJJTCI-UHFFFAOYSA-N 487.630 1.691 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1539205170 GCFVDJPOVCXRMT-AUSIDOKSSA-N 474.583 1.505 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539230787 KFNNVATZXGVXBL-ACRUOGEOSA-N 479.647 1.505 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1539461235 BVIQJQXJLWUUNF-UHFFFAOYSA-N 457.600 1.806 30 10 JDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1539510188 GBXQHPGHVQLWGF-INIZCTEOSA-N 475.644 1.662 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2nc(CC)ns2)CC1 1539526921 WRMSBZYRWSBTQI-UHFFFAOYSA-N 474.660 1.898 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OCC)CCOC1 1539642603 RDYKSWLBZTWOGS-WIRSXHRWSA-N 454.593 1.535 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)CCSCC(=O)Nc2ccc(C(=O)OCC)cc2)CC1 1539703365 YVCFSWRFPALBRZ-UHFFFAOYSA-N 459.568 1.913 30 10 JDEE C=CC1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCNS(C)(=O)=O)CC1 1539875014 NNXAQHVMPSWHSL-UHFFFAOYSA-N 495.675 1.888 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1540898314 GMTFULJROMFBOI-UZLBHIALSA-N 494.639 1.953 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)C2(CCC2)C1 1540905237 RUAKSQWLGBSEDU-IRXDYDNUSA-N 456.634 1.798 30 10 JDEE CC1(C(=O)NCCS(=O)(=O)N2CCOCC2)CCN(c2ccc(Cl)cc2C#N)CC1 1544492962 HXMLZHKALGZMMN-UHFFFAOYSA-N 454.980 1.596 30 10 JDEE CCNC(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)CCC1 1547751730 GHUPCXMBDDGWIF-SFHVURJKSA-N 451.531 1.074 30 10 JDEE C#C[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)CC1 1583539508 XDUVETIRGHNQDT-NSHDSACASA-N 456.542 1.168 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1587581285 ZHXZSVCRXAAOKS-HOTGVXAUSA-N 465.601 1.088 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(OC)OC)c1)[C@@H]1CCS(=O)(=O)C1 1588054924 QEASGRVOCFNTIC-MOPGFXCFSA-N 487.582 1.196 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNc1ncc(Cl)cc1Cl 1588083255 CXPFAHKJEOSLGF-CYBMUJFWSA-N 470.386 1.775 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)CC1 1588199501 RHAJOJRCGHKZFG-SFHVURJKSA-N 454.980 1.096 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCNc1nccc(C(F)(F)F)n1 1588559892 MAZSGXNZSOTVCM-UHFFFAOYSA-N 466.468 1.521 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1OC 1588647464 VLNAZXYUAJGDKX-LJQANCHMSA-N 498.005 1.407 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCCC2(C)C)CC1 1588885248 TXCGXTATFBMKCP-VWLOTQADSA-N 479.585 1.832 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1588955337 VQPNUQAVCBZXOX-UHFFFAOYSA-N 498.653 1.933 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1588975201 FFEVABHQJZGPQM-SFHVURJKSA-N 466.571 1.702 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1 1589493431 HMTPQRVHCIDDQT-BZSNNMDCSA-N 454.641 1.790 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1589578640 HXAQEWCWWPEWQB-GBPOLFSSSA-N 463.579 1.251 30 10 JDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1593636053 DKYCGGBWCNNOML-LJQANCHMSA-N 478.663 1.669 30 10 JDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1594003923 MJZDPBIBYYHWIG-ROUUACIJSA-N 453.971 1.830 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCCN2CC)CC1 1594097384 SCEZPIFZYRNABY-RBUKOAKNSA-N 452.625 1.642 30 10 JDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1594802521 BCSTUTJAWIMZNX-HXUWFJFHSA-N 470.622 1.794 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1595785288 VNUDOJZAPJNBEW-LJQANCHMSA-N 489.646 1.017 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H]1CCOC1 1595798361 OIOWQWNYWKMDIS-SFHVURJKSA-N 475.619 1.526 30 10 JDEE C#C[C@@H](NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccc(Br)cc1 1596978929 RDJQQRSTDWLCRL-HUUCEWRRSA-N 452.330 1.405 30 10 JDEE CCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCNS(=O)(=O)Cc1ccon1 1614044720 BVIASXLRDURXAH-LJQANCHMSA-N 471.543 1.398 30 10 JDEE CCO[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N)c1ccccc1 1616119658 BREGLXGYTBCLKZ-RLLQIKCJSA-N 476.603 1.985 30 10 JDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(C(=O)c3ccccn3)CC2)CC1 1616972115 BAEPSRDDLFYXPC-QFIPXVFZSA-N 450.518 1.388 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2Cc3ccc(O)cc3N2C(=O)OC(C)(C)C)CC1 1628147098 WPPYNKOPYASZKQ-FQEVSTJZSA-N 456.543 1.342 30 10 JDEE C#CCN(CC(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(=O)OC(C)(C)C 1630992510 AZMASJMELBJWQS-UHFFFAOYSA-N 450.561 1.432 30 10 JDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(C)CC1 1651688459 NBSAGGOWBXXSEJ-NHCUHLMSSA-N 456.587 1.795 30 10 JDEE CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c(F)c1 1663719856 AETXEGJEYSDEDK-UHFFFAOYSA-N 456.496 1.719 30 10 JDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 1671751288 QNYICUJDOJDJEO-UHFFFAOYSA-N 455.378 1.358 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nc(C)cs1 1689853068 OPYDQOWTKTZXLE-CWRNSKLLSA-N 452.606 1.638 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 1689873816 XVWMJXPVCDSAGV-SFHVURJKSA-N 474.587 1.152 30 10 JDEE C#CCCCn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1689941086 JGNDXIGNYFPBIM-FDDCHVKYSA-N 458.563 1.499 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(OC)nc2ccccc12 1689965918 GTVLBHIOHQVHTD-IBGZPJMESA-N 470.555 1.286 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1689984317 NIJNZACTVARAAX-IBGZPJMESA-N 454.556 1.786 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1689986035 HKKJCCUHPOWHKO-RTBURBONSA-N 460.604 1.257 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(N(C)C)c2)CC1 1690150458 IKDSUALHDDZPRP-UHFFFAOYSA-N 463.586 1.481 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCC[C@H](C)C1 1690206358 OPOODTKLBZPPDZ-FAKFISEUSA-N 478.663 1.724 30 10 JDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COCC)C1 1690228785 FXRQXDWTJYDLSS-HZPDHXFCSA-N 492.440 1.773 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCC)CC1 1690312720 BDIYLBKWQNTTMY-GOSISDBHSA-N 453.609 1.516 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1690470624 HEVRGCMFGXQJDI-IBGZPJMESA-N 467.684 1.849 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCCCC2)C(=O)C1 1690674902 JNKXPSIVQLKGCW-UHFFFAOYSA-N 454.579 1.423 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCc2sccc2C1 1692660667 BJVKVNJDGKFTOI-AEFFLSMTSA-N 493.659 1.469 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1705559304 XJSVPJLLLWUEBM-LPHOPBHVSA-N 461.563 1.986 30 10 JDEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1705562138 XZLZIIFHADVDCW-RDJZCZTQSA-N 475.640 1.846 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccccc1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1705566422 ODOMQRRJNIUZFQ-FSSWDIPSSA-N 498.653 1.939 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1705570144 NEMJMGOJKFEUER-SFTDATJTSA-N 458.632 1.867 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cc3ccccc3o2)CC1 1705633182 LGYKOOSGYWRFDS-KRWDZBQOSA-N 456.572 1.632 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1705652000 NDTOCLGKKPXMQA-CABCVRRESA-N 472.637 1.358 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705700015 NVVHBBKCUMMQMZ-WTGUMLROSA-N 467.636 1.919 30 10 JDEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(S(C)(=O)=O)CC1 1705728123 XBLCNNMKIFYLSX-UHFFFAOYSA-N 473.647 1.301 30 10 JDEE C=C(Cl)Cn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@]1(OCC)CCOC1 1705760786 SCHDOFYEQPYLLP-NBCNXNJRSA-N 467.014 1.672 30 10 JDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1705761533 QUFWYBSRVITUGL-UHFFFAOYSA-N 467.555 1.972 30 10 JDEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705819654 QXGDJHBYNPVSBT-OALUTQOASA-N 478.594 1.894 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)C(C)C 1705868760 AOTGTASUGLXYRN-XUVXKRRUSA-N 462.620 1.608 30 10 JDEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(N)=O)CCOCC1 1705870955 RVBUGSYTTXWICT-UHFFFAOYSA-N 459.572 1.809 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705898581 QJVOARBJVFDLDF-UHFFFAOYSA-N 466.546 1.660 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CCCOC1 1705900549 HWURHKJWPYTFRV-INIZCTEOSA-N 451.531 1.357 30 10 JDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705907340 JFMPZUHTXQEYHI-KRWDZBQOSA-N 451.531 1.860 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCN(CC)C(=O)C2)cc1 1705910338 ZFFGWKAXZZIUCM-QGZVFWFLSA-N 476.603 1.560 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C(=O)N(C)C)CCCC2)C1 1705915423 KCDNIDWZLCGZAB-IRXDYDNUSA-N 468.624 1.318 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@H](Cn2cccn2)C1 1705934895 ADIKKQMRLWNSPN-NRFANRHFSA-N 470.599 1.880 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1705936314 OAZNPPGOPUGQLH-GOSISDBHSA-N 482.628 1.813 30 10 JDEE CCC[C@@H](C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1709457935 DUGGLSWYTOIVLU-LJQANCHMSA-N 493.616 1.660 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)c2ccccc2C1 1722332410 KNYFNQQCWRWUPK-HXUWFJFHSA-N 458.588 1.481 30 10 JDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722365527 FKJRMAFUHCRKPI-XLIONFOSSA-N 487.582 1.190 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(Cl)cc1OC)[C@@H]1CCS(=O)(=O)C1 1722368806 SWYARAXPWDHFIQ-SJORKVTESA-N 477.974 1.566 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCCC 1722426415 HVVPWZUXYHQGIQ-QGZVFWFLSA-N 464.567 1.199 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722454528 LWZMRLQGWJHNAF-UHFFFAOYSA-N 454.556 1.841 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCNS(=O)(=O)Cc1ccon1 1722469124 UPDFTNAHGVBOHG-NHCUHLMSSA-N 478.575 1.030 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722492906 FSHJOTWHSMLHLV-LPXYKDPNSA-N 473.578 1.212 30 10 JDEE 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C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1 1286822607 LJPQHSQCXWVEMH-QFIPXVFZSA-N 456.572 1.653 30 10 JDEE CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)O)C[C@@H]2C)CC1 1286868501 BDVWSMHQBKGROJ-AVRDEDQJSA-N 465.602 1.967 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCOCC2)[C@@H](C)C1 1286875462 HWCYKVWHWSVNLW-IBGZPJMESA-N 451.575 1.986 30 10 JDEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 1296964451 GEUQRAHKOVGXDC-LVIWNVNYSA-N 475.571 1.282 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1300500970 GJHHPBRKDHUWNH-IBGZPJMESA-N 469.571 1.218 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1300506719 XLCQYWGSNUEQOB-ZCNNSNEGSA-N 459.572 1.381 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)N1CCSCC1 1300606528 NCMVPDMTDBLYTL-UHFFFAOYSA-N 497.668 1.187 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(CSC)cc2)CC1 1300683748 SFGSIDMGACYADU-KRWDZBQOSA-N 462.645 1.555 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CCOCCN(C)C 1300801231 KMYJKGZJWIFMJP-JOCHJYFZSA-N 459.620 1.809 30 10 JDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1300839525 KIIHDQAIHXTERH-AWEZNQCLSA-N 461.324 1.410 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1300848091 APNREFCNLFICSV-STQMWFEESA-N 469.427 1.348 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C(N)=O)C1 1300868662 GEERSOCQCFIEHL-AOIWGVFYSA-N 459.572 1.641 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccco2)C1 1301222905 IZTGKQPBVFALFX-MSOLQXFVSA-N 451.549 1.748 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1301502852 QLPMKPSDSODVMG-YJBOKZPZSA-N 456.503 1.370 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1301509757 MWVCQIZROOBAAQ-UHFFFAOYSA-N 491.581 1.165 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1301587294 YCVXBFXGUNFZPO-RBUKOAKNSA-N 470.555 1.280 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccn2)CC1 1301611147 HKAUEVWLRKPCSB-GOSISDBHSA-N 493.659 1.252 30 10 JDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1305117229 IEOBTXSQKYJVGR-AEFFLSMTSA-N 472.571 1.220 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2nncn2C)c1 1358901324 HALLYMRQBRCDBZ-XMMPIXPASA-N 478.557 1.552 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCc2nccn2C1)[C@H]1CCS(=O)(=O)C1 1358957079 PEOZHCPCFHLUSK-OTWHNJEPSA-N 476.603 1.088 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1358959521 KRHJWZAPEFHYIX-RQZFFVEVSA-N 471.608 1.745 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1358959832 QPEKHJPWYQMIAZ-SBUREZEXSA-N 474.583 1.750 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1358965759 ATLROPJNFZOTAC-SFHVURJKSA-N 469.571 1.277 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358991632 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C=CCN(C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1476216558 IMLLPAOPBQAAIQ-AWEZNQCLSA-N 450.966 1.970 30 10 JDEE CN(CCC1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1503586583 FJTRZWJVZUYQGE-UHFFFAOYSA-N 468.558 1.840 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1507551669 YHJPXICUQYHCNP-RBUKOAKNSA-N 471.583 1.663 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1507622135 BPDCODSKKPCVRO-QGZVFWFLSA-N 475.571 1.109 30 10 JDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCN(C)C1 1507693374 AQXLUPMMUKAZLF-RUZDIDTESA-N 451.619 1.169 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(C)COCCO2)CC1 1507730882 XMAGFUNBOBOIIR-DVECYGJZSA-N 490.605 1.147 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cc(C)on2)CC1 1507955126 VNRHVJZHMJXVJS-LJQANCHMSA-N 479.607 1.196 30 10 JDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1508042374 FERHPGVZSPAFCR-RTBURBONSA-N 466.590 1.738 30 10 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30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(Cn3ccnn3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540875962 CRBVKSSSXYWPFQ-KDURUIRLSA-N 499.620 1.859 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2CCOC[C@H]2C1 1540898610 PEJFVRWWAKJBSU-QGZVFWFLSA-N 483.541 1.668 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(C)C)C(=O)C1 1540899927 FHOYMKRIRAHBQY-UHFFFAOYSA-N 475.571 1.579 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 1540900343 SEKOTEBTJUMJOH-KRWDZBQOSA-N 475.596 1.717 30 10 JDEE CC(C)NC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1541700427 ANRMAGUTROFQDT-OAQYLSRUSA-N 499.641 1.289 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)C1 1547780003 HKYILEHDEZCFRJ-NRFANRHFSA-N 487.630 1.182 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2nccs2)CC1 1556504336 SZPXZSSBQMOFFF-NHCUHLMSSA-N 451.596 1.252 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 1565879795 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CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1696688998 BWTMREWVFXZDHX-RBUKOAKNSA-N 492.627 1.112 30 10 JDEE CN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1696710670 DHUXTVMHXJIGQM-GOSISDBHSA-N 484.586 1.380 30 10 JDEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705511040 GUIIZBYSFZIBRD-OAHLLOKOSA-N 489.349 1.797 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1705560012 HIUXIQNKLWVZMH-LPHOPBHVSA-N 472.546 1.966 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1705569776 JSRXLZZXLJAHIL-RBUKOAKNSA-N 462.645 1.745 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCn1ccnn1 1705580811 QUYQMECDBRFKFM-UHFFFAOYSA-N 455.526 1.991 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705592135 QNBBRBOPLMBAGO-OAHLLOKOSA-N 479.404 1.780 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCCS1(=O)=O 1705596143 UQGZWVGXUNIDBO-UHFFFAOYSA-N 493.593 1.173 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCc1ccco1 1705613027 USCHJWCGMGZYGV-SFHVURJKSA-N 472.546 1.955 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(CSC)cc2)CC1 1705639173 IAOMMZCIYRIPPI-HXUWFJFHSA-N 459.641 1.847 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2OCC)CC1 1705643588 LPJKSSNHQYJQAC-UHFFFAOYSA-N 464.570 1.927 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2oc(CCC)nc2C)CC1 1705648556 UIXBTKVCUFIFSW-SFHVURJKSA-N 488.614 1.443 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1705929121 ZXPHEGFBHSORSF-SFHVURJKSA-N 490.605 1.969 30 10 JDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1 1705943783 KNFSUQCRESIGRE-QFIPXVFZSA-N 453.572 1.813 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C[C@H]1CCOC1)C1CC1 1722316836 NCOTUYMLJPBNEI-IEBWSBKVSA-N 451.593 1.420 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCc1ccco1 1722354521 HGGJTZKNWIRDJQ-KRWDZBQOSA-N 458.519 1.565 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722364974 BCPVKXSICZZICA-OTWHNJEPSA-N 476.647 1.366 30 10 JDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1722366291 HTEFEZDTHLRMFF-ZWOKBUDYSA-N 460.556 1.700 30 10 JDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCS(=O)(=O)C1 1722404792 FMKNXVVUQDOUJY-KRWDZBQOSA-N 478.644 1.831 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCOCCN(C)C)CC1 1722445859 ZAIMETYLPRQZHT-UHFFFAOYSA-N 482.585 1.260 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1722448664 FVFHDUYXBYDCGM-SFHVURJKSA-N 473.574 1.409 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1722483363 CBGAOPMWNGKTDH-HZPDHXFCSA-N 474.425 1.390 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCNC2=O)CC1 1722491612 LZTMDZILKUYWNZ-LMMKCTJWSA-N 495.650 1.254 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(=O)N(C)C)C1 1722717763 DCFJVVBACJGRCP-MSOLQXFVSA-N 478.594 1.846 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1722724778 FYDMBBBEWGBQFN-UHFFFAOYSA-N 482.607 1.030 30 10 JDEE CCc1nn(C)c(OC)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1727484955 DTBZVVCFPIONBW-MRXNPFEDSA-N 464.530 1.393 30 10 JDEE COCCN1C[C@@H](Cn2c(N3CCN(c4cc(C#N)ccn4)CC3)nnc2C(C)(C)C)CC1=O 1730778414 GTRSEBUVDSKTNW-IBGZPJMESA-N 466.590 1.664 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCN2CCN(C)C(C)(C)C2)c1 1740561833 CQASRAFMPQZQRS-UHFFFAOYSA-N 489.628 1.761 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccnc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740615777 LBNVAEDSDXMJRS-IBGZPJMESA-N 472.615 1.482 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1740621846 ZQPDAKVIFQGYAZ-YCRPNKLZSA-N 479.965 1.843 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(F)(F)F 1740685680 KFUKXECXXLREOK-CQSZACIVSA-N 453.487 1.040 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)Cc2ccccc2)CC1 1740696353 RNAJRGMGVXYBFP-NRFANRHFSA-N 456.616 1.067 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2nccc(C(F)(F)F)n2)CC1 1740699194 XQPWETHEKDDOAB-UHFFFAOYSA-N 462.480 1.207 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2CCS(=O)(=O)NC)CC1 1740704074 JQCGKJSOTUXLGE-UHFFFAOYSA-N 481.582 1.008 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1740963664 SUIVGJMNRZRMAJ-OAQYLSRUSA-N 492.374 1.918 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H]1CCC=CO1 1741937192 AHIFFPFBFBJVLW-DLBZAZTESA-N 489.577 1.918 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1748731604 HOXOARAFXCLBSS-GOSISDBHSA-N 474.635 1.850 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748805402 RDEGHWYMSKZFAU-LGVFNWMJSA-N 493.674 1.677 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccc(-c2nc[nH]n2)cc1)[C@H]1CCS(=O)(=O)C1 1748823860 DEYGLTCAOGHKJW-SFHVURJKSA-N 455.544 1.275 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCN(C(C)=O)CC1 1748876504 IRUCUYMXAOGPAU-UHFFFAOYSA-N 457.542 1.642 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(F)c1 1748892164 JZJPZDNXYKNUFQ-WIYYLYMNSA-N 489.573 1.681 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2csc(C)c2)CC1 1749004988 QMSIZRUMJPZAOC-HNNXBMFYSA-N 464.617 1.272 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCCC2)CC1 1749015951 UFAVDRNKXMQIKA-UHFFFAOYSA-N 469.615 1.331 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@H]2C1 1749038388 RCNUWVCHIYHRNR-MOPGFXCFSA-N 492.646 1.474 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCc2nn(C)c(=O)cc2C1 1749118436 GJHOUJJCKHHPRU-LZJOCLMNSA-N 458.563 1.640 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1749268619 DIZRFHKTKMRZOK-SFHVURJKSA-N 464.998 1.865 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1749666427 LWOUNEGVMBNDGY-HOCLYGCPSA-N 487.561 1.657 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1749740305 UEFXXRCPRMEXHB-INIZCTEOSA-N 465.551 1.654 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccc(OC)c1)N(C)C 1760116743 JPMBFYHTFWOAOR-IOMROCGXSA-N 490.630 1.380 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1760154180 BEBFPUNZVHXYIE-MOPGFXCFSA-N 461.592 1.371 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCS(=O)(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760186016 IXCPHZQBFVXRTH-INIZCTEOSA-N 458.650 1.707 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1760191157 BUQGQDRNHXWTIF-LJQANCHMSA-N 485.610 1.838 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)Cc1ccccc1 1760219593 IRAWEIIBQFYRMB-FYYLOGMGSA-N 498.653 1.594 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC2(CCOCC2)C1 1760234368 VXEZYTFUOZLUFD-GOSISDBHSA-N 451.593 1.277 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)Nc2ccc(F)cc2)CC1 1760269484 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CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@@]1(CNC(=O)OC(C)(C)C)CCOC1 2282568831 IXCQYEKDROJACW-JOCHJYFZSA-N 464.372 1.475 30 10 JDEE Cn1nc(C(=O)NC[C@H]2CO[C@H](CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282625067 QGQRUYCNNDHECR-GJZGRUSLSA-N 464.372 1.379 30 10 JDEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282675830 CDZHAKDCDILFLX-KRWDZBQOSA-N 459.352 1.577 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1CO 2282694390 SOUFTHXJDRYFTN-ZBFHGGJFSA-N 462.356 1.124 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282989803 KFZTZUYRHHGXTL-HZPDHXFCSA-N 462.352 1.792 30 10 JDEE C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2283957320 OYRRUCRKXAGIAH-PBHICJAKSA-N 461.368 1.932 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](C(=O)O)[C@@H](C)OCc2ccccc2)n1 2284430537 VQYIIPPFDOKNHP-QAPCUYQASA-N 457.336 1.991 30 10 JDEE 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1.731 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 1128431482 CIIAYHVKMDYHKH-UTKZUKDTSA-N 451.589 1.732 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)COc2ccc(Br)cc2C(C)=O)CC1 1136632723 IUIGKSADVSXMLH-UHFFFAOYSA-N 450.333 1.314 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]2C[C@@H]2C)CC1 1136633014 WTYSTJAOYVGWEC-IRXDYDNUSA-N 456.543 1.196 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2cnn(-c3cccc(Br)c3)c2C)CC1 1136633030 XUNBWYQBEJVBHW-UHFFFAOYSA-N 458.360 1.841 30 10 JDEE C=CCNC(=O)CNC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1137841029 ONIHKHSGNIADOQ-UHFFFAOYSA-N 457.325 1.168 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Cl)CC1 1152974461 TZJNJELTMQMFDQ-UHFFFAOYSA-N 456.952 1.912 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OCCCC 1286296231 NHOYCITZLWJYAQ-PKOBYXMFSA-N 476.603 1.691 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1286387329 CRKPWYNMZZUSNQ-XLIONFOSSA-N 468.583 1.748 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)CN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1286390488 BCRXNPSOIYWHSC-TZIWHRDSSA-N 462.664 1.131 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1286391791 GIGLVCXUULHIRU-GDBMZVCRSA-N 483.392 1.068 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1286393943 MKZLBJANYKYHKC-KRWDZBQOSA-N 486.623 1.966 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1286397108 RLSDUVSHPTZMMA-SIKLNZKXSA-N 491.687 1.204 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCNS(=O)(=O)c1ccc(C)s1 1286410669 GRYFGLSQUSNYTR-UHFFFAOYSA-N 493.618 1.938 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(S(C)(=O)=O)cc1 1286414751 AQNXQUKUXFGPLF-UHFFFAOYSA-N 453.568 1.623 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nccc(C(F)(F)F)n1 1286431957 UPGCDRFALHEZPE-HNNXBMFYSA-N 466.489 1.695 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(Br)n1 1286432098 XLHIAQQUEMWTSZ-HNNXBMFYSA-N 462.373 1.849 30 10 JDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)N(C)C 1286452419 NTIOWMNBRLBNKD-IYBDPMFKSA-N 454.597 1.400 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCc2ccccc21 1286467949 XVSXLKMYRBQQAS-FQEVSTJZSA-N 457.600 1.719 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)CN2CCOCC2)CC1 1286471833 APYMOMBSDMWQFJ-QPPBQGQZSA-N 460.623 1.042 30 10 JDEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C(N)=O)C1 1286496433 FCCKOIRPZGJPMH-HNNXBMFYSA-N 461.617 1.225 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)CCOC 1286517733 LKLPAINIQVPBHA-DHIUTWEWSA-N 475.615 1.975 30 10 JDEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)NCCOC)CC1 1286622643 JKCHBVKNQCQJOJ-UHFFFAOYSA-N 463.926 1.490 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(C(=O)NC)c2)CC1 1286646533 SPEUZRPTMRNDRG-HXUWFJFHSA-N 488.614 1.370 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286744115 ARMFLQSDJOLZBG-UTKZUKDTSA-N 450.536 1.663 30 10 JDEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCN(C(C)=O)CC1 1286767192 JGSKMVJSYKFZLA-UHFFFAOYSA-N 465.562 1.818 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCN2CCOC[C@H]2C1 1286815825 ASOOGYKTPLAVPI-MRXNPFEDSA-N 496.431 1.829 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1286818462 JBFAKRBZFRELCY-QGZVFWFLSA-N 492.602 1.671 30 10 JDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1300422163 YAVRIQMVLKHTKS-UHFFFAOYSA-N 455.544 1.204 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1300482130 DDGLYFVAOXAOLY-SFHVURJKSA-N 481.582 1.488 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1300484023 QHHAPKAQUONHEW-ZJSXRUAMSA-N 487.626 1.893 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1cnn(CCOC)c1)[C@H]1CCS(=O)(=O)C1 1300488919 XEQMUBLFJHGRLN-SFHVURJKSA-N 472.546 1.602 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCCOc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1300493032 QEVKYVVICIJUNU-QUCCMNQESA-N 489.573 1.854 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JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760525244 YUZMMIGWHIZKNY-QGZVFWFLSA-N 451.980 1.838 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2ccco2)C1 1760526272 JNWYZQBXSNKYEW-INIZCTEOSA-N 456.528 1.743 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1760554638 IWSCPBQTMZRNGC-FQEVSTJZSA-N 458.563 1.785 30 10 JDEE CCN1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 1765505672 CTKDMMLMBANTGD-UNMCSNQZSA-N 494.644 1.847 30 10 JDEE CN1CCC(N(C)C(=O)NS(=O)(=O)c2ccc(CNC(=O)c3cccc(C#N)c3)cc2)CC1 1858662100 VHOGYMKGJXBLQI-UHFFFAOYSA-N 469.567 1.913 30 10 JDEE CCN1CCN(Cc2cc(=O)c(OCC(=O)Nc3sc4c(c3C#N)CCC4)cn2CCO)CC1 1870324718 XAZXLFBQRAITQP-UHFFFAOYSA-N 485.610 1.417 30 10 JDEE C=CCn1cc(OCC(=O)NCC)c(=O)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1870529165 KHYRHKIHIXQFBQ-UHFFFAOYSA-N 455.515 1.780 30 10 JDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@H]2CCCO2)cn1CCCN1CCCC1=O 1870536656 UQIFVMZJNKQIHP-JOCHJYFZSA-N 486.613 1.709 30 10 JDEE C=CCn1c(C(=O)N2CCN(C)CC2)cc2c(NCc3ccc(S(N)(=O)=O)cc3)ncnc21 1875229758 FBFPLPBJHUFXFC-UHFFFAOYSA-N 469.571 1.264 30 10 JDEE COc1ccc(C=N[C@H]2[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc1 2054750065 BPVDJXUNJWJXMH-ZGJYDULXSA-N 465.455 1.197 30 10 JDEE C[C@H](CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247901184 GNWWYIQPLCDKBA-GFCCVEGCSA-N 461.415 1.775 30 10 JDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)C1 2255197240 ILQRCGWKQJQBRX-UHFFFAOYSA-N 450.580 1.962 30 10 JDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC[C@H]2C[C@H]21 2256629136 QKUVUAMRLXMYFI-XXRNEEKGSA-N 450.370 1.891 30 10 JDEE CC(C)(C)OC(=O)NC(CO)(CO)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2258276087 NHKQAOOSKDCDAD-UHFFFAOYSA-N 456.370 1.025 30 10 JDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC2(C(N)=O)CCN(C(=O)OC(C)(C)C)CC2)C1 2266536490 STGURKJAFWFVHH-UHFFFAOYSA-N 464.563 1.664 30 10 JDEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C 2267011340 DJIPNNUYUJWASF-MRXNPFEDSA-N 451.373 1.984 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@](F)(CNC(=O)OC(C)(C)C)C2)n1 2267502064 IFULYYWNIBOZNE-KIFPSNHUSA-N 452.336 1.845 30 10 JDEE Cc1nc(S(=O)(=O)N2CC(C)(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2267710427 VCPTUSYZRDSMCS-UHFFFAOYSA-N 470.401 1.315 30 10 JDEE CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268646941 WIXCYAHDKDLMAH-QWHCGFSZSA-N 468.385 1.470 30 10 JDEE CC(C)(C)OC(=O)NCCOC1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2281931410 TXYQCMRTOZESSZ-UHFFFAOYSA-N 464.372 1.855 30 10 JDEE CO[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H](CNC(=O)OC(C)(C)C)C1 2281985402 LRNGSLHDRYDRGO-GJZGRUSLSA-N 464.372 1.853 30 10 JDEE CCn1cc(C(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282039192 RIJUTRJZMRPJRV-QFIPXVFZSA-N 464.372 1.304 30 10 JDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282196714 DSUCAFVECOHCIS-JOCHJYFZSA-N 482.408 1.776 30 10 JDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)n1 2282545102 VOPIHXZHOGGSGR-JKSUJKDBSA-N 461.368 1.789 30 10 JDEE Cn1nc(C(=O)N=[S@]2(=O)CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282619881 XKSHYLSKIAZFOX-GSLRCMBYSA-N 482.412 1.872 30 10 JDEE CC1(C)OB(c2ccsc2C(=O)N2C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C2)OC1(C)C 2282687030 ZOKZZZUOWMNLSB-QWRGUYRKSA-N 475.298 1.042 30 10 JDEE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282848816 SCVJTKNWSQBRNQ-HNNXBMFYSA-N 484.428 1.739 30 10 JDEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282855291 BVNFZPYDSGXMET-HNNXBMFYSA-N 486.444 1.985 30 10 JDEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C 2284043950 ZSMVUZKAOSPHOJ-XIRDDKMYSA-N 482.408 1.347 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](COCc1ccccc1)CC(=O)O 2284464120 FYSVQSXURBSTNS-QGZVFWFLSA-N 457.336 1.818 30 10 JDEE CC(C)(C)OC(=O)NC(CO)(CO)CNC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2286172597 NONSVSUEOWKOES-UHFFFAOYSA-N 468.331 1.103 30 10 JDEE CC(C)(C)OC(=O)NC(CO)(CO)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2286173350 YZLFIHWFGILOEW-UHFFFAOYSA-N 484.786 1.617 30 10 JDEE Cn1c(=O)nc(O)c2c1nc(NN=Cc1ccccc1[N+](=O)[O-])n2C[C@H](O)COc1ccccc1 2328612173 KNVXDBIFQZWXFZ-HNNXBMFYSA-N 479.453 1.630 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)CO[C@@H]1C2 2359319510 DJSVLZMFQPXIGQ-SOHPYSCWSA-N 460.340 1.330 30 10 JDEE Cn1nc(Br)c(Br)c1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2364436685 SMXYFIFXXWWSLM-UHFFFAOYSA-N 488.977 1.897 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2380430198 LXZYBPUAFWMXKS-CQSZACIVSA-N 484.428 1.786 30 10 JDEE COC(=O)COc1ccc(C(=O)N[C@@H]2CN(C(=O)Nc3cccc(C#N)c3)CCC[C@H]2O)cc1 15672270 MHOSKPAIZSTITJ-NHCUHLMSSA-N 466.494 1.897 30 10 JDEE biogenic COC(=O)c1ccc(/C=N/Nc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cc1 20906148 LRTHGKBFNIABBD-UFFVCSGVSA-N 489.539 1.416 30 10 JDEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)n2N)cc1O 21316770 SKGUWXNORGNTTI-LSHDLFTRSA-N 473.515 1.900 30 10 JDEE COc1ccc(OC[C@@H](O)Cn2c(N/N=C/c3ccc(C)cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 33889596 RVTDIKYFEVAHFR-NPSPNJCMSA-N 492.536 1.637 30 10 JDEE CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)[C@@H](C)O)B1OCCNCCO1 199515701 XWKSCTRHOVOMBG-LEOXJPRUSA-N 482.390 1.423 30 10 JDEE COC(=O)[C@H]1C[C@]2(C)[C@H](C[C@H](O)[C@@]2(O)C(=O)COC(C)=O)[C@H]2CCC3=CC(=O)C=C[C@]3(C)[C@]12F 504231284 OQKUXXQTICQMSZ-UUPQJQBJSA-N 478.513 1.620 30 10 JDEE C#CCN(C(=O)c1cc(S(=O)(=O)NCc2ccco2)ccc1C)[C@@H]1CCS(=O)(=O)C1 729331835 QJCKRBVYWFTDTB-MRXNPFEDSA-N 450.538 1.329 30 10 JDEE CN1CCC(n2c(=C(C#N)C(=O)NCc3ccco3)sc(=Cc3cnn4ccccc34)c2=O)CC1 729669393 OEJLNBHOVJOJQZ-UHFFFAOYSA-N 488.573 1.237 30 10 JDEE C=C[C@](C)(CCOC)C(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1141815420 JNDOZQCTWVRKGA-HXUWFJFHSA-N 458.602 1.460 30 10 JDEE C#CCC1(O)CCN(C(=O)[C@@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)CC1 1153261799 BYTNSFHUPIOBEC-HSZRJFAPSA-N 452.548 1.711 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1286420976 VLDWZPYTKDBHQZ-LEWJYISDSA-N 498.653 1.620 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(N3CCCC3)CCOCC2)CC1 1286471433 KBSLFKQTPGJSBW-OAQYLSRUSA-N 460.623 1.402 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOCC2CCOCC2)CC1 1286489797 CADQVOHPSHRVFB-FQEVSTJZSA-N 472.590 1.028 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nnc(C)s2)CC1 1286492369 JDPRELPHDLOASA-UHFFFAOYSA-N 476.566 1.903 30 10 JDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286500918 HJIXFUNTAWMOHB-AWEZNQCLSA-N 455.009 1.830 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1286776095 CHDUZZNVKMFYEX-NRFANRHFSA-N 485.614 1.381 30 10 JDEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CCN(S(C)(=O)=O)CC1 1286799244 RLEINAYYEONGQP-UHFFFAOYSA-N 468.583 1.959 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C)CC1 1286818910 SLAGHIYSOCRFGW-UHFFFAOYSA-N 454.560 1.366 30 10 JDEE CC(C)NC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1288227736 FPCKGZOKMKKSBA-INIZCTEOSA-N 471.587 1.578 30 10 JDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1291321209 GUVKTWODWKQAPZ-NBCNXNJRSA-N 459.572 1.760 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@]2(C)CN(C3CC3)C2=O)c1 1300337153 UNUBGHXWTSBBPL-XMMPIXPASA-N 450.543 1.882 30 10 JDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1300403409 IZEHDKDOPUUYKB-OAHLLOKOSA-N 450.590 1.275 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cccc3[nH]ccc23)CC1 1300682832 KDYHNGIYCMQTKB-QGZVFWFLSA-N 455.588 1.368 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1300734042 PRWINEFGIXLMDN-HZPDHXFCSA-N 486.664 1.748 30 10 JDEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1300769694 IRIDNWSZFOCBSX-IBGZPJMESA-N 496.637 1.668 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccccc1 1300806085 PFAXOJYXQYSVAY-ZRCGQRJVSA-N 473.599 1.991 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1300972946 SFMMTWOGPQJQIT-UHFFFAOYSA-N 470.534 1.737 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1300990760 HLDBVOATUSQBKJ-OAHLLOKOSA-N 458.485 1.717 30 10 JDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1301207100 PZLHPDTXESVUEN-SFHVURJKSA-N 472.571 1.788 30 10 JDEE C=CCCOCCn1c(CC2CC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1301259079 CTGHAVVDJJGWHG-QRVBRYPASA-N 495.646 1.950 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCS(=O)(=O)N2CCSCC2)C1 1301567074 SHYZVPFKGUMGTF-LJQANCHMSA-N 478.644 1.424 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1301585995 PCSDEKLTGDRKIC-UHFFFAOYSA-N 461.563 1.787 30 10 JDEE CC(C)(C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1302019263 BANUKQDOUMUALN-SFHVURJKSA-N 464.574 1.590 30 10 JDEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C[C@@H]1C 1313930507 DVKBQSGRQDUMRF-IBGZPJMESA-N 450.591 1.511 30 10 JDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1314631539 FPPNJOLYHXUKAH-GOSISDBHSA-N 473.603 1.451 30 10 JDEE COc1ncccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1315673466 CQYFGEXDGCSBSV-KRWDZBQOSA-N 496.597 1.538 30 10 JDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[S@@](=O)C(C)(C)C)CCN1S(C)(=O)=O 1316493133 CZJBCRRXUVILOY-AZYRPFHASA-N 478.644 1.834 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1OC 1358889957 JKISJMWAPGEYNV-QKLQHJQFSA-N 477.587 1.545 30 10 JDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1358906638 OKWIBGKSGIHYTM-DEOSSOPVSA-N 498.609 1.967 30 10 JDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1358927060 LVNGXPJXJMLGTB-KRWDZBQOSA-N 483.598 1.558 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1358959907 RWDJDSUWYFBADM-SJORKVTESA-N 480.974 1.649 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CC1(OCCOC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1358960278 ARDVNZRUAGFCGD-FQEVSTJZSA-N 489.598 1.179 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCC(O)CC1 1358976252 WPVQZAMDHBMBKD-UHFFFAOYSA-N 469.615 1.158 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Cl)ccc1OC 1359010262 KYGVGBWIGHFPLO-GOSISDBHSA-N 467.979 1.781 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCC(O)CC1 1359016912 PIHYUYOBRBWNEN-OAQYLSRUSA-N 454.550 1.855 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(NC(C)=O)c2)CC1 1359047277 YWWQJPYXRJTKTB-UHFFFAOYSA-N 477.569 1.373 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cc2ccccc2)C1 1359048742 ATMRILJJUHUDRS-PKOBYXMFSA-N 463.629 1.703 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N1CCOCC1 1359274637 VCUBUDHMUUUDJF-UHFFFAOYSA-N 466.586 1.998 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1359298255 SLTDXXMKXYJDKT-UHFFFAOYSA-N 481.582 1.543 30 10 JDEE C#CCC1(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)o3)CC2)CCOCC1 1439371949 NNSCHXBFLYHFLL-UHFFFAOYSA-N 452.529 1.546 30 10 JDEE CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(C#N)cn2)c1 1443874275 CHTQXGMROZEGHT-UHFFFAOYSA-N 456.572 1.988 30 10 JDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 1449335391 JYYTUMLUITUYFC-QWRGUYRKSA-N 451.895 1.961 30 10 JDEE Cc1nn(C)c(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1492720120 FPNQPRJCEPMPDH-IERDGZPVSA-N 498.613 1.737 30 10 JDEE C[C@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1494657264 BFITZPRFCSGHQQ-OPAMFIHVSA-N 475.571 1.282 30 10 JDEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOCC1(C)C 1503713871 HIVKRZPQFQRSHI-SFHVURJKSA-N 469.590 1.658 30 10 JDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1507554395 RPBFDEYSNTYFBE-UHFFFAOYSA-N 473.603 1.979 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1507623847 YECIAIIKGLNAPE-QGZVFWFLSA-N 466.523 1.306 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1F 1507689439 KGZASTSIIXOBRZ-QFBILLFUSA-N 465.551 1.677 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@]2(O)CCOC2)CC1 1507717691 FTCMRDYZRZFSTM-HXUWFJFHSA-N 464.339 1.753 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCNS(=O)(=O)CC)CC1 1507721392 OCNFCCAXJRTPAX-UHFFFAOYSA-N 466.995 1.302 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1507725116 PAWVMOLHUHNMNM-UHFFFAOYSA-N 451.556 1.052 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)C(C)C)CC1 1507729661 JMWUNJMFAHWODG-YADARESESA-N 476.622 1.749 30 10 JDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1507746752 AZZBXJWXJPSCAS-UHFFFAOYSA-N 450.634 1.900 30 10 JDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1507828742 GFDFPXNBLCBXCC-QGZVFWFLSA-N 495.675 1.922 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1508075969 REWHHCMVACOULT-FUHWJXTLSA-N 452.625 1.925 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](COC)C1 1508149246 RRGTTZWIJMXPEJ-MSOLQXFVSA-N 499.634 1.803 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1508174260 GBGPTWXWFXUSDD-LNVKXUELSA-N 463.542 1.919 30 10 JDEE CC(C)(C)S(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1508691637 CXKPMIKNOCTGTJ-QGZVFWFLSA-N 495.005 1.804 30 10 JDEE CC1CCN([C@@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CC1 1512265859 DOASSMUUHNPPTD-AZUAARDMSA-N 479.651 1.471 30 10 JDEE CC[C@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C#N)C1)OC 1513493019 DSDRWBMWSOUZNG-FGZHOGPDSA-N 453.591 1.797 30 10 JDEE CCC(O)(CC)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1513512666 BVOAKPYJTPWLIE-QGZVFWFLSA-N 467.578 1.442 30 10 JDEE C=CCO[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)C1 1534785082 SZEHSPZJPOBEBQ-SFHVURJKSA-N 451.589 1.971 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1539179135 NNQSIARKYZVOFT-IEBWSBKVSA-N 457.556 1.415 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 1539201062 VFEPDKYNUZORAA-INIZCTEOSA-N 451.499 1.370 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1539207100 ZGOWVMALODAQED-QMMLZNLJSA-N 454.593 1.108 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(CCOCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1539221918 SOADBPFLXHVOMA-RTBURBONSA-N 477.631 1.843 30 10 JDEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)N1CCSCC1 1539376483 YCGXFALIPFKSMB-UHFFFAOYSA-N 454.647 1.472 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)N(CC)CC)CC1 1539467606 XAMZAAHJIQBXJG-SFHVURJKSA-N 466.590 1.622 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(C)CCO[C@@H]2C2CC2)CC1 1539469910 VROIGZRUNQVVDF-QUZZAMIASA-N 492.646 1.059 30 10 JDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1539613535 YZBXHPYHDIGAEY-BPUTZDHNSA-N 469.384 1.951 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)s1 1540200872 JJVBVACPDDUOHT-KRWDZBQOSA-N 455.606 1.668 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccccc3F)C2)nnc1[C@@]1(OCC)CCOC1 1540876711 YUGPGSFUYUUSCT-AUSIDOKSSA-N 459.522 1.949 30 10 JDEE N#Cc1ccc(N2CCC3(CC2)CN(C(=O)C2=NNC(=O)CC2)C[C@@H]3CO)cc1C(F)(F)F 1548402541 KXBJCOXEQADTAL-OAHLLOKOSA-N 463.460 1.880 30 10 JDEE N#Cc1cccc(CN2CCC(NC(=O)NC[C@H](O)COc3ccc4c(c3)OCO4)CC2)c1 1565004918 GIPJUEVOZNFHPK-FQEVSTJZSA-N 452.511 1.990 30 10 JDEE C#CC[C@H](CCOC)NC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1565156363 IDDYZERHJCMJJE-GOSISDBHSA-N 451.568 1.415 30 10 JDEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1587777980 XSUDRYGCSFHBOF-UHFFFAOYSA-N 478.597 1.803 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 1588029417 HREUPAIOCNFNPU-INIZCTEOSA-N 470.580 1.970 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1588029572 IYVOKMYDFUUGKT-PKOBYXMFSA-N 464.636 1.165 30 10 JDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1588049197 BPVUCTSZYAJJTL-ICSRJNTNSA-N 472.546 1.742 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1588049804 LIVYXEHCQVGXBZ-HZPDHXFCSA-N 470.555 1.503 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCOc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 1588053242 BMEIOWSHVPWYHN-UYAOXDASSA-N 471.583 1.552 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Br)cs1 1588574446 HXALZVIVNSXUBR-GFCCVEGCSA-N 476.422 1.847 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1588574794 SGIGCOURZUUFGB-LJQANCHMSA-N 488.614 1.515 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1588741602 FTNQMMMLYUYYTH-RDPSFJRHSA-N 487.626 1.340 30 10 JDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)C(=O)C1 1589296134 OMGWJSLGMWGDEO-CQSZACIVSA-N 489.440 1.778 30 10 JDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1589701013 IHPKACMRVAEHAL-UHFFFAOYSA-N 453.594 1.268 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1593711989 OAWMXSXXDFPIDD-QFIPXVFZSA-N 475.571 1.972 30 10 JDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1594023203 FKHUFRRPONWIEL-JOCHJYFZSA-N 461.588 1.977 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1595705541 AKVPIQVMIDSWBS-FQEVSTJZSA-N 461.526 1.385 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C)C(=O)[C@H]1C 1595761049 WRMBEGRELJIKOY-CVEARBPZSA-N 465.551 1.825 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C(N)=O)CC1 1595777548 PRFYBPNGJXHQPF-UHFFFAOYSA-N 454.556 1.796 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCC(N)=O)CC1 1595777895 TYPKFTCVXFJPLG-UHFFFAOYSA-N 456.572 1.899 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1595789160 OCFCWOOEXODIJJ-SFHVURJKSA-N 471.649 1.587 30 10 JDEE C[C@@H]1[C@@H]2O[C@@H]2[C@@H]2C[C@@H]3[C@@H]4CC=CC(=O)NCC[C@H](O)[C@H]5NC(O)=C(C(=O)C=C[C@@H]4CC[C@@H]3[C@H]12)C5=O 1616183722 FDWNTCRVFCCYKL-SMWOTIEVSA-N 482.577 1.561 30 10 JDEE biogenic CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1 1617572613 GAKKKMLXUIDDNT-RTWAWAEBSA-N 462.558 1.488 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)s1 1629973035 HLCSFXHBSLRBRE-OAHLLOKOSA-N 450.586 1.691 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 1644281573 GXPNZIKGYLPPAN-IBGZPJMESA-N 458.506 1.053 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)CC=C 1689847549 BUDXSAWZHUCOFM-MRXNPFEDSA-N 454.556 1.734 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cc(C)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689988665 UAUCDABIOJUGEQ-GOSISDBHSA-N 452.540 1.727 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1689988697 UQWIPNLGAGMDCY-IBGZPJMESA-N 484.582 1.565 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1cccc(NC(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 1689996350 HNCPJCKAKNCOSK-SFHVURJKSA-N 461.544 1.668 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(CS(C)(=O)=O)CC1 1690029645 GQIRPSYULLXHSE-HDICACEKSA-N 475.615 1.946 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCSCC1 1690037067 KWUFOJATRSSJNK-UHFFFAOYSA-N 486.667 1.707 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1690124190 HCRAWJIXXVZMSK-IBGZPJMESA-N 472.615 1.556 30 10 JDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1690128904 LVJSSOKQNJQGQF-UHFFFAOYSA-N 484.651 1.982 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCCN2CC)CC1 1690132091 HGGXQSYAYZKDJE-LJQANCHMSA-N 455.632 1.899 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1690132255 NCFQPIFIXBMCBM-UHFFFAOYSA-N 497.625 1.377 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)CC1 1690244969 BEZWHOYEUNTOPU-OTWHNJEPSA-N 453.609 1.829 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COCC)C1 1690245427 IDTXZCMWCXJHMC-WOZUAGRISA-N 497.662 1.845 30 10 JDEE C=C(C)COCCn1c(N2CCC(N3CCCNC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1690319916 CYJFUAMAQCCHHL-QHCPKHFHSA-N 462.595 1.907 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@]2(CCOC2)C1 1690719514 NXOAPEOOOREUIG-LJQANCHMSA-N 453.952 1.590 30 10 JDEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)NC)CC1 1690737379 KIQOZJATNGAJBM-UHFFFAOYSA-N 453.576 1.802 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705568624 RRAUVAKBVTUEPN-GTCCEBARSA-N 460.604 1.318 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C=C)cc1 1705582973 NVLJPYAAUCXNSR-NRFANRHFSA-N 453.568 1.570 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1705635785 KZIIQPWTQSVHOT-HXUWFJFHSA-N 456.616 1.544 30 10 JDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1705638268 FEKDMWRHMBXXNV-FDDCHVKYSA-N 473.647 1.791 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCOC[C@H]2C)CC1 1705646179 APTISTPKLLOSDS-WIYYLYMNSA-N 499.637 1.987 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1705662177 RWQUYDMFTHCRQG-GUDVDZBRSA-N 467.661 1.094 30 10 JDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1705764079 NCOHSIJXVSWTNC-RXVVDRJESA-N 453.609 1.757 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccncc1Cl 1705876218 RMGGFIBMUBXZCL-QGZVFWFLSA-N 452.968 1.886 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(CNC(C)=O)CC1 1705895965 YGAINGIPZUEKIY-UHFFFAOYSA-N 462.558 1.990 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1705900155 RPLWCBJWCLRNII-UHFFFAOYSA-N 466.590 1.213 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1705907533 POUGVMDZDJGKMC-JGCGQSQUSA-N 455.588 1.816 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1705937707 BYYHJJVQPZZZKG-UHFFFAOYSA-N 486.598 1.777 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C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N1CCOCC1)C1CC1 1740908327 SUFOAYKITMRTDT-UHFFFAOYSA-N 459.572 1.752 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1740940510 IPSPRLAJZSSDPR-UHFFFAOYSA-N 453.547 1.603 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1740953607 LZEBBLQJMGBYJQ-BEFAXECRSA-N 459.572 1.655 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740955580 YNPVOKQXDFEYAT-UHFFFAOYSA-N 453.547 1.594 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1740991776 DKHZPWCYEPZIOH-HZPDHXFCSA-N 460.622 1.032 30 10 JDEE CC(C)(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1741151978 FRWMTUKWUOEBDY-KRWDZBQOSA-N 467.530 1.532 30 10 JDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CC1 1748344536 HTDBGTSUPRYUBZ-HXUWFJFHSA-N 453.547 1.552 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1748691302 CDNFKOMYTRRQGT-ZHRRBRCNSA-N 459.572 1.397 30 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C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](COC)C1 1760157492 QYFCCZNYNQHLKD-HSZRJFAPSA-N 452.603 1.908 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1760262674 WGYBBUVWPSDERY-IBGZPJMESA-N 463.508 1.282 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1760269234 BYPZNZQCCKUVEU-LJQANCHMSA-N 472.590 1.615 30 10 JDEE C=CCCOCCn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@]1(OCC)CCOC1 1760452444 CRVYQGVUFJTZPT-QFIPXVFZSA-N 462.551 1.044 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1760507416 FCJPZLNHRFNQAR-LAUBAEHRSA-N 472.615 1.523 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1760510299 PVBCXMHKZFYBJV-OALUTQOASA-N 491.637 1.809 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(O)CCOCC2)C1 1760544095 VRZIAFWYXSFEST-MOPGFXCFSA-N 493.605 1.909 30 10 JDEE CN(C)C(=O)c1cccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)c1 1766844943 ICSWSVGOQHEJSK-XMSQKQJNSA-N 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Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](COCc2ccccc2)C1 2267366656 IYEDYIIJMYXYCO-SFHVURJKSA-N 461.393 1.947 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267523742 GROSHLLESRXDLT-DZKIICNBSA-N 468.381 1.118 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CCO 2267538170 FCOZRQYMVFSQOI-AWEZNQCLSA-N 467.397 1.886 30 10 JDEE CC(C)(C)OC(=O)NCC(CO)(CO)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2267543218 CSKKNXOLQVOVJD-UHFFFAOYSA-N 490.815 1.679 30 10 JDEE CN(CC(C)(C)NC(=O)OC(C)(C)C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267710357 TWWCKUHDXOTHFT-UHFFFAOYSA-N 472.417 1.643 30 10 JDEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C2)C1 2281930224 IXPOFVXOSUPJIU-JOCHJYFZSA-N 462.356 1.561 30 10 JDEE CCn1cc(C(=O)NCC2(OC)CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282046370 KKQOGGVBYNBWRG-UHFFFAOYSA-N 464.372 1.568 30 10 JDEE CO[C@@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)N(C(=O)OC(C)(C)C)C1 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10 JDEE C=CCO[C@@H]1C[C@H]2C(=O)N3CC[C@H](NS(=O)(=O)c4cccc(C(F)(F)F)c4)C[C@H]3C(=O)N2C1 15709330 SCMVLWHTMVAHQB-MVJTYMMSSA-N 487.500 1.529 30 10 JDEE COc1cccc(NC(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2N)c1 20527397 RRQRFWUODHLPEP-AWQFTUOYSA-N 458.460 1.791 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(N3CCN(C[C@H]4CCCO4)CC3)nn2)CC1 585475112 SESBJKUZNJJCPQ-OAQYLSRUSA-N 497.625 1.160 30 10 JDEE CCc1nnc(CN(C(=O)CSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)C(C)C)o1 1084204264 KHNZAMHTLMXOLA-UHFFFAOYSA-N 475.583 1.690 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3Cc4cc(Br)cnc4NC3=O)cc2C1=O 1180087186 CWFCRJHOEAPUMY-OAHLLOKOSA-N 455.268 1.919 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Br)cs1 1286377443 WNPCNDIPESSLMJ-AWEZNQCLSA-N 474.406 1.553 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CCS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286383020 CLCXMZXHFCPVKB-QGZVFWFLSA-N 450.586 1.502 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1286386736 GUDBHCVVHGVVQU-IBGZPJMESA-N 451.556 1.476 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(C)cc1OC)[C@H]1CCS(=O)(=O)C1 1286389614 NLWOEZXKLLKZKE-IBGZPJMESA-N 454.556 1.671 30 10 JDEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1286398803 PSRINAARYVVZNN-IXDOHACOSA-N 467.592 1.322 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1286409477 MKDKUDSQUYRBKA-DHIUTWEWSA-N 481.622 1.544 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCCC1(C)C 1286431472 OAFZEGOJQDXFLS-XMSQKQJNSA-N 463.604 1.015 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCOCC2)CC1 1286455230 SYRLCRFBHHGSIN-GOSISDBHSA-N 490.605 1.532 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCSCC2)CC1 1286490614 NPBCQAILQSEDLB-UHFFFAOYSA-N 453.616 1.663 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(CC)CCC(F)(F)F)CC1 1286490740 QWBLBOXUNOSWIE-KRWDZBQOSA-N 483.539 1.469 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1286495391 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C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286789162 PWYGGAPLJBYSHC-KRWDZBQOSA-N 481.022 1.590 30 10 JDEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)NC)CC1 1286832119 IBGKUOBFFXUGJT-UHFFFAOYSA-N 471.635 1.833 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1300487642 KQJMEAHWDBYMSI-HZPDHXFCSA-N 450.948 1.641 30 10 JDEE C#CCN(c1nnc(CC)n1Cc1ccccc1CN1CC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1300499873 ZBCLREYLEBOJNG-NHCUHLMSSA-N 457.600 1.082 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCN(CC)CC1 1300520713 NYTWYFSIKYUACI-UHFFFAOYSA-N 458.574 1.021 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1300537641 HTXTVGTZWMSKKM-PKTZIBPZSA-N 481.622 1.635 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)F 1300553612 LMUDENAKBZJQDB-GASCZTMLSA-N 450.490 1.503 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N(C)C)c1 1300806208 RLLIXHZBALLMSX-AUSIDOKSSA-N 455.584 1.922 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1301478959 RLWRJWUDFLOWSF-UHFFFAOYSA-N 493.547 1.705 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1301509217 CLASMYMSZJXCAI-MRXNPFEDSA-N 455.485 1.990 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCN2CCC)C1 1301558322 VAVJPXFNGSZVNP-NJDAHSKKSA-N 496.678 1.657 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1314553795 CNYYYZXRKKXHNT-OAHLLOKOSA-N 485.536 1.829 30 10 JDEE CS(=O)(=O)NCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C#N)C1 1316361058 BHHLVWKSEUMWDP-CYBMUJFWSA-N 475.358 1.442 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1358918970 NDZTZMTVUIZNIW-AZUAARDMSA-N 464.574 1.328 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1358955937 XDYBSBUHIPZMHC-OALUTQOASA-N 464.636 1.308 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1358958206 JPAAQKLYWCFHEJ-IBGZPJMESA-N 454.556 1.845 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N(C)Cc2ccccc2)CC1 1359039912 APMWLDRHQXSKGI-HXUWFJFHSA-N 479.629 1.903 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCNC(=O)C2CC2)CC1 1359046311 MXMUUJLYUWDPKE-UHFFFAOYSA-N 455.588 1.126 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cc2ccccc2)C1 1359048740 ATMRILJJUHUDRS-IEBWSBKVSA-N 463.629 1.703 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1Cc1ccccc1 1359300361 ACZLNWLCOVXQDK-WOJBJXKFSA-N 488.614 1.125 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)OC)CC1 1359331384 XAOBINQZDMPCLT-UHFFFAOYSA-N 485.570 1.620 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1359332747 GGJIIHSCHNHKJA-SJORKVTESA-N 450.565 1.533 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCOC[C@H]1C 1359332827 HZMXLCGOCWKAAB-QGZVFWFLSA-N 461.592 1.278 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1359333802 KHXXTQSKKTZUPJ-HXUWFJFHSA-N 474.562 1.920 30 10 JDEE CC(C)CN1CCO[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)C1 1360033921 AIMSECXQBIDXMT-NQIIRXRSSA-N 451.575 1.840 30 10 JDEE C[C@H]1CN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)CCCO1 1494518009 GKMMTENONWVVBV-ROUUACIJSA-N 467.640 1.519 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@@H]2C)CC1 1502435473 CZLFAFRITHQLDR-FQEVSTJZSA-N 480.617 1.471 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1503835514 FGKDOUIYVFQWSQ-UHFFFAOYSA-N 484.561 1.535 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(O)CCS(=O)(=O)CC1 1507520304 OBZKBBSHZURVCR-INIZCTEOSA-N 454.556 1.733 30 10 JDEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1507555947 XPQZGFHDENISEG-UHFFFAOYSA-N 498.389 1.846 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1507628388 WMZOOIFQBZWKJI-RBUKOAKNSA-N 472.567 1.934 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1507633935 VRAYYSWDSQMGFS-SFTDATJTSA-N 485.610 1.749 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507639211 WLLKVBBOTNOMSV-SJORKVTESA-N 469.608 1.602 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC[C@@H]1COCCO1 1507652277 GMVHSUAZIBCPEZ-LJQANCHMSA-N 460.538 1.943 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507708929 PZCABBSWJFDTIZ-INIZCTEOSA-N 451.980 1.966 30 10 JDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507830527 FBBOBROQMQKDOZ-ZWKOTPCHSA-N 464.567 1.504 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1507915892 GLQUQJHNSZPGJC-LJQANCHMSA-N 480.679 1.773 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1508086490 ZQOVTWZAZSIMOV-OYRHEFFESA-N 494.644 1.193 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C[C@@H]1CCOC1)C1CC1 1508092509 QGRHJKXXHHVRRK-HKUYNNGSSA-N 490.605 1.894 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1508134227 QYJZAQCDFCOMIR-SFHVURJKSA-N 490.586 1.613 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCCCC2)CC1 1508141289 MFFISFHPGBHQJK-SFHVURJKSA-N 450.609 1.285 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1508148909 YJRIOKLHSCZFCC-UGUYLWEFSA-N 482.525 1.759 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC(F)(F)F)cc1 1510217327 GVTJLQNQLBGMGH-DOMZBBRYSA-N 474.465 1.564 30 10 JDEE CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)CC1 1519507362 CTTSUHWWGLMLJJ-FQEVSTJZSA-N 472.615 1.677 30 10 JDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C1 1519508295 BMIPWNWWNNFUSZ-LJQANCHMSA-N 459.572 1.762 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1539043841 VCAKOYUJAVJOCA-HSZRJFAPSA-N 471.583 1.542 30 10 JDEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1539068604 YFYKUBHJRKWIMQ-UHFFFAOYSA-N 462.558 1.608 30 10 JDEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1539212522 PUTPXSQJNMJVCG-ROUUACIJSA-N 497.415 1.996 30 10 JDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1539299710 LVTMIWVJRIPGHV-RPBOFIJWSA-N 487.670 1.990 30 10 JDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1539705376 QVKBEHFOHFTDOD-VAMGGRTRSA-N 450.653 1.751 30 10 JDEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1540039527 AHYGFHQVMYSCJV-UHFFFAOYSA-N 479.541 1.842 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCNC(=O)C(C)C 1540871621 PRLFSRSYCLLBTL-QGZVFWFLSA-N 493.609 1.097 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1540872594 UMDSLGDYOZZAJI-HNNXBMFYSA-N 459.501 1.490 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(CC(=O)N(C)C)CC2)cc1 1540877513 XSVPMACOEAEUSW-UHFFFAOYSA-N 481.601 1.337 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1540901069 RNKRWHMYRMPNHO-CYBMUJFWSA-N 460.482 1.379 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1540906794 BQLHKJJWTLFXQD-SFHVURJKSA-N 475.571 1.314 30 10 JDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1540923728 KKYARHFVMPFNIN-OTWHNJEPSA-N 485.676 1.926 30 10 JDEE COC(=O)N1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)CC1 1554548371 BNXKLHKMZOOUNS-FOIQADDNSA-N 467.596 1.497 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1587932048 KAYLUHOCIQIZAO-HXUWFJFHSA-N 472.615 1.361 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588049133 AQQZLPAEYKJNMB-KNQAVFIVSA-N 454.556 1.213 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](c1c(F)cccc1F)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588053647 GQQBMODFCLNMEL-MBOZVWFJSA-N 493.580 1.990 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1cccnc1OCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588074782 RPWILWSDVLFABG-MRXNPFEDSA-N 487.504 1.826 30 10 JDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC[C@H](C(F)F)N1CCOCC1 1588128488 MGQMDYDDFCDPCU-QGZVFWFLSA-N 460.485 1.435 30 10 JDEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1588751820 NLUWDDNDCOWGFP-NFBKMPQASA-N 457.600 1.125 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC(=O)NCCC)CC1 1588811211 CNCXYKGCORSIOK-UHFFFAOYSA-N 473.622 1.674 30 10 JDEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1589701133 PYYOJJMIHDQUNX-UHFFFAOYSA-N 495.584 1.231 30 10 JDEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)n2)C1 1618653191 DMOWKWJTNMOLSL-GOSISDBHSA-N 463.546 1.452 30 10 JDEE COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cc1Cl 1619272244 GKSPEADUFHVXBD-TZMCWYRMSA-N 454.940 1.327 30 10 JDEE C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1630998947 AMTGKLVWZYXGPC-KRWDZBQOSA-N 456.572 1.978 30 10 JDEE Cn1cc(-c2nn(C)cc2NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 1634825224 HVXRIPHORKDYLP-UHFFFAOYSA-N 453.528 1.732 30 10 JDEE C=CCN1CC[C@H](N(C)C(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1=O 1635210016 QVZZPSULAIYDHJ-AWEZNQCLSA-N 453.870 1.882 30 10 JDEE C=C(C)C[C@H](NS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC)C(=O)OCC 1665221690 OOZJDHPKDHIWCM-GBESFXJTSA-N 454.545 1.840 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CCS(=O)(=O)CC1CC1)[C@@H]1CCS(=O)(=O)C1 1689986517 RMVQXKXFYMFKJW-LJQANCHMSA-N 476.624 1.705 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1689988976 ZRGSREXGOYZVSH-RTBURBONSA-N 457.604 1.482 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C)n(C)c1=O 1690095961 JWRIWHWDQRFHKU-UHFFFAOYSA-N 469.567 1.490 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(C(=O)NC)c2)CC1 1690113752 SZKITRMSWOYYLL-DEOSSOPVSA-N 452.559 1.093 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2oc(CCC)nc2C)CC1 1690137401 XNELMLNUESKQLF-MRXNPFEDSA-N 491.618 1.151 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1690150843 XWHJNRBQCZCZIS-JOCHJYFZSA-N 492.624 1.952 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1690312725 BGVMBYASOKVRAG-CVEARBPZSA-N 481.541 1.982 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1690375196 CROZKQRDDFLOJL-FQEVSTJZSA-N 488.614 1.518 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1690432516 FXSKUVNETRCWJZ-MBSDFSHPSA-N 497.662 1.988 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCC(=O)N1 1690558227 IYBSMDZWNDSDFV-CRAIPNDOSA-N 457.560 1.231 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC3(C2)OCCO3)C1 1690686066 IUPDVRSWEJLIJW-YESZJQIVSA-N 455.581 1.213 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1690746639 FOAPUPJQPDIHDB-QZTJIDSGSA-N 455.650 1.258 30 10 JDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1692548662 DXKRKTHFCDTHKT-UHFFFAOYSA-N 478.601 1.476 30 10 JDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC(=O)N1CCOCC1 1696330820 BFDODTDOGCNTMP-UHFFFAOYSA-N 457.510 1.011 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCN(C(=O)c4ccco4)CC3)n2CC(=O)NCC(F)F)cc1 1698488466 DFQFQCQXVIXMGC-UHFFFAOYSA-N 499.478 1.665 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1705558549 ARVCAYYEZJQZQX-ZWKOTPCHSA-N 451.593 1.392 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705568681 SQXBWMBYLSYFQH-PMACEKPBSA-N 490.674 1.538 30 10 JDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1705640955 LFICMEUCEKCFBF-UHFFFAOYSA-N 480.594 1.502 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCCCO)CC1 1705647968 MUYXVNYWBFXSAZ-NRFANRHFSA-N 453.543 1.919 30 10 JDEE C=CCOc1ccccc1Cn1c(Nc2cnn(C)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1705915056 SNKODZOSZIFRBZ-LJQANCHMSA-N 473.559 1.701 30 10 JDEE C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N)Oc1cccc(F)c1 1706798579 FQWKFEKOAOZBFE-GPMSIDNRSA-N 480.566 1.956 30 10 JDEE CCO[C@@]1(c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2C[C@H](C)N(C)C)CCOC1 1710477752 CWOTVLDNHNQYAX-MBSDFSHPSA-N 454.579 1.474 30 10 JDEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1712687667 GKFMNXSGHODBBM-PKOBYXMFSA-N 477.612 1.655 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC1(N2CCOCC2)CC(OCC)C1 1722298520 DESRLXHHSWJUGN-JVIIGWRGSA-N 455.607 1.868 30 10 JDEE C#CCCCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722313508 WQIKTMCIJLBUFQ-UHFFFAOYSA-N 454.550 1.869 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1722359555 TYFDAYCERSRLQG-SFHVURJKSA-N 465.539 1.190 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)C)[C@H]1CCS(=O)(=O)C1 1722360454 UKIKPJWTRQTFRX-KRWDZBQOSA-N 450.586 1.631 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1CCN(CCN(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1722369770 GRSAOSGGBYKKRD-NHCUHLMSSA-N 478.663 1.030 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCOCC2)c1 1722382901 KBNBXMWNABPJSD-LJQANCHMSA-N 469.567 1.254 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1cnnn1 1722400280 LIAAMFRBQQFVST-IBGZPJMESA-N 467.578 1.932 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(OC(C)C)nc2)CC1 1722433156 NBQFNKWNOCLCKK-XMMPIXPASA-N 454.575 1.916 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cc(C)nn2C)CC1 1722436738 DJYMOIRKVKSCTC-HXUWFJFHSA-N 484.605 1.432 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCC(=O)N2)CC1 1722440411 GCIUTRAFUJTCDR-LJQANCHMSA-N 497.987 1.106 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCCCCC2)CC1 1722447444 LELVIYBBOXSRTJ-LJQANCHMSA-N 477.631 1.231 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)C(C)(C)C 1722450127 YJRJDSQOKOAMJW-UHFFFAOYSA-N 486.598 1.491 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cnccn2)CC1 1722587921 FHTMZANITBYUFV-GOSISDBHSA-N 490.634 1.330 30 10 JDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(N)=O)CCOCC1)C1CC1 1722645350 JTGYNZOMVQHLIB-UHFFFAOYSA-N 459.572 1.786 30 10 JDEE C=CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNS(C)(=O)=O)C1CC1 1722650119 ONZKZVLIADRBDP-UHFFFAOYSA-N 457.560 1.379 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722660577 ZCQJLPJWHVMINK-NRFANRHFSA-N 458.519 1.616 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1722696474 OYTBDKOYWXEVLJ-XMSQKQJNSA-N 483.592 1.765 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(CCC)CC1 1722727744 KZNDEUNCRKCYOU-KRWDZBQOSA-N 473.665 1.092 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@]2(CCC(=O)N2)C1 1722729593 QCKGQZSPFGHWLE-OAQYLSRUSA-N 465.526 1.607 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2CCS(=O)(=O)CC2)c1 1740562091 GICRWAQSAAMESX-LJQANCHMSA-N 484.582 1.110 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1740592459 YBDUHHVLBVNLHC-FCHUYYIVSA-N 486.642 1.735 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740621678 YNMTUYAUKQPPHU-WMZOPIPTSA-N 479.006 1.341 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1nc(C(F)(F)F)cs1)[C@@H]1CCS(=O)(=O)C1 1740627826 SPTXOAXLZRXYRH-CHWSQXEVSA-N 475.518 1.932 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1740696627 ZEFRPCFVWOVJIH-GOSISDBHSA-N 480.635 1.192 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(O)cc2)CC1 1740710576 ZUDKYUYBCBJDGR-UNMCSNQZSA-N 467.570 1.916 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740744861 ZGFMXJGCUVKGMA-OAHLLOKOSA-N 476.379 1.901 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(OC)cc2C1 1740792457 IIRYBLNFOHUCFQ-OAQYLSRUSA-N 491.614 1.775 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1740877285 VBKLDBDRCZXMIJ-ZIAGYGMSSA-N 453.487 1.345 30 10 JDEE C=CCCOCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740887929 GPKHOOTYHRXFGZ-LJQANCHMSA-N 468.558 1.214 30 10 JDEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC)C1CC1 1740915769 RRPVSBKYWUFJPZ-GASCZTMLSA-N 454.597 1.753 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1740954891 IJSXNQQPISGADJ-QGZVFWFLSA-N 454.531 1.466 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1740957323 JRMQKXKLOSBNBJ-UHFFFAOYSA-N 450.503 1.338 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)Oc2ccccc2)C1 1740980111 IANJKWRVKQNGED-NRSPTQNISA-N 491.614 1.860 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1740988841 RBVOKQJGSDQULU-OAQYLSRUSA-N 481.582 1.828 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(OC(C)C)nc2)CCO1 1748206308 DNYAEQMDVDWOON-FQEVSTJZSA-N 461.526 1.998 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)CN1CCN(CC)CC1 1748788662 CJKDNRQJZFHBAI-RTWAWAEBSA-N 489.665 1.930 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1748804559 ITNIZSXQZQWUCT-IUKKYPGJSA-N 492.573 1.989 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748815985 VEYUNZRNFLICOP-VQTJNVASSA-N 455.584 1.879 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(S(C)(=O)=O)cc1 1748929457 JPTKSNJERSGVKY-QGZVFWFLSA-N 450.586 1.286 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCSC2(C)C)CC1 1749015672 ISVXUOLBLCAFNB-GOSISDBHSA-N 458.632 1.898 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(CC(F)(F)F)C1 1749575841 XWJGYVLKTLDPAK-DLBZAZTESA-N 492.568 1.674 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1749649801 BGTICYKHISKCQB-INIZCTEOSA-N 475.544 1.880 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1749676134 GCTVNYGOEMDHBI-UHFFFAOYSA-N 466.615 1.907 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1749677067 MIHHIVMXVBDVFX-UHFFFAOYSA-N 464.574 1.769 30 10 JDEE CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1750584095 FAYNTYBEEGXCNE-CVDCTZTESA-N 490.630 1.901 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@@H]2CC(=O)N(CCOC)C2)c1 1760128026 UZBNDWZOAQZXFC-TZIWHRDSSA-N 480.569 1.681 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(OCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1760182515 JSEOIAIYNONOGQ-SFHVURJKSA-N 486.598 1.901 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760191306 FGFLITXVHGXQAH-IIBYNOLFSA-N 479.628 1.303 30 10 JDEE C#CCN(c1nnc(CSc2ccccc2OC)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1760193399 YWYRSDOHOLRCSL-KRWDZBQOSA-N 491.639 1.730 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1C[C@H](C)O[C@H](C)C1 1760198854 KDUCYBFGBMEFJT-BGYRXZFFSA-N 459.558 1.493 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCOCC1 1760219848 PZRFBMQVTRFLMF-FQEVSTJZSA-N 487.601 1.981 30 10 JDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](CC(N)=O)C1 1760281085 LHSIWURLPYLIOM-GOSISDBHSA-N 468.631 1.910 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncnn1-c1ccccc1 1760288457 CQBVLGVMTAIKIJ-IIBYNOLFSA-N 454.560 1.509 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1760312958 HDTJYSCWXZIUBD-SQNIBIBYSA-N 453.609 1.755 30 10 JDEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(=O)NCC)CC1 1760373951 FTHAJDVQHQIFBM-UHFFFAOYSA-N 474.013 1.463 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1760525660 MQBNOSFGSIAAAU-UHFFFAOYSA-N 466.633 1.483 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1760556597 JKPADMKBOGGHKT-UHFFFAOYSA-N 499.641 1.161 30 10 JDEE CCOC1CC(O)(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)C1 1766153074 HRFFIQRUZAQPQF-BQIYRTECSA-N 461.544 1.007 30 10 JDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1766681940 AJSSCRGZLSFXDR-UHFFFAOYSA-N 496.641 1.924 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)n1 1772564593 DKNXJLPBTAYTDA-CQSZACIVSA-N 460.482 1.695 30 10 JDEE CC(=O)OC[C@@H]1[C@@H](/C=C(/C)[C@H](C)OC(=O)CC(C)C)O[C@@H]2[C@H](O)[C@@H](OC(C)=O)[C@@]1(C)[C@@]21CO1 1775937556 PNOLSQJBPUQUEA-GAMKNRCTSA-N 468.543 1.939 30 10 JDEE CC(=O)Nc1nnc(S(=O)(=O)N(C)c2ccc(NS(=O)(=O)c3ccccc3C#N)cn2)s1 1858272268 QMQCNUWDPJOQJS-UHFFFAOYSA-N 493.552 1.389 30 10 JDEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCN(CCO)CC2)=C(N)Oc2c1c(C)nn2C 1865227123 BOXIIMHJAQLIPZ-HXUWFJFHSA-N 453.543 1.124 30 10 JDEE CCn1c(=O)c2cc(S(=O)(=O)N3CCC(COc4ncccc4C#N)CC3)ccc2n(CC)c1=O 1891839063 JAVGVLDVLABKMC-UHFFFAOYSA-N 497.577 1.949 30 10 JDEE Cn1nc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267183755 PRGPGQPTDHURST-NWDGAFQWSA-N 470.763 1.083 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(CNC(=O)OC(C)(C)C)COC1 2267189647 DCPBLLHAOMMYAW-UHFFFAOYSA-N 450.345 1.226 30 10 JDEE CC(C)(C)OC(=O)NCC12CC(NC(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)(CO1)C2 2267539364 ZXGWYFWMILKTEJ-UHFFFAOYSA-N 465.381 1.998 30 10 JDEE CC(C)(C)OC(=O)NC[C@H](O)CNS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2267706663 CLPOWRCRRIMHMP-AWEZNQCLSA-N 474.360 1.289 30 10 JDEE COC[C@@]1(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2281924785 BFFMRSCWHFYJJN-QFIPXVFZSA-N 464.372 1.855 30 10 JDEE CC(C)(C)OC(=O)NCCc1nc(NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2282177555 HMGRZQMMQCNBRM-UHFFFAOYSA-N 458.328 1.818 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2282317767 WGIYVXWONIYOCZ-KRWDZBQOSA-N 475.424 1.446 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2282336679 GOMPPAHQYFQWJS-SFHVURJKSA-N 471.392 1.118 30 10 JDEE CN(CCOCCNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2282349086 ULEMBNRBAYNOOF-UHFFFAOYSA-N 485.412 1.543 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 2282588862 XNMCAOBAPUVLAO-OAHLLOKOSA-N 459.356 1.787 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@@](CO)(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282665613 RAZPHQSBMDKQBG-HSZRJFAPSA-N 461.368 1.873 30 10 JDEE C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282831418 JZDGVNDKRJDTJF-AWEZNQCLSA-N 484.428 1.643 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2282849891 IHLLSNGGOBLEGA-UYAOXDASSA-N 472.420 1.614 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C 2282852615 RKLZCKIFONOFLJ-OFQRWUPVSA-N 482.412 1.253 30 10 JDEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)OC(C)(C)C 2284043946 ZSMVUZKAOSPHOJ-PVAVHDDUSA-N 482.408 1.347 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2362082756 XCTRFYPLINUFDI-AWEZNQCLSA-N 486.444 1.937 30 10 JDEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2N)c1 20527365 KLXKKXAAQXYKJX-ZVBGSRNCSA-N 485.486 1.741 30 10 JDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccc(N(C)C)cc2)[C@@H](C#N)C(=O)N3)CC1 72444682 VPOHCMDNEXGVMW-QZTJIDSGSA-N 464.526 1.839 30 10 JDEE CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](C)C(N)=O 98183633 CRCPLBFLOSEABN-CDHQVMDDSA-N 456.543 1.415 30 10 JDEE C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)CO[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1CCC1=CCOC1=O 575338817 YGCYRQKJYWQXHG-XKSAJDSISA-N 480.598 1.845 30 10 JDEE C=CCn1c(C)nn(CN2CCN(S(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)CC2)c1=S 917472683 YWIDLZXKIGWWNV-UHFFFAOYSA-N 485.657 1.584 30 10 JDEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3cc(OC)c(OC)c(OC)c3)n2)o1 1084464258 SPGHCKWKROAWBY-UHFFFAOYSA-N 476.519 1.630 30 10 JDEE Nn1c(NN=Cc2ccccc2[N+](=O)[O-])nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 1084483356 XTCVWRPZTVCWCX-UHFFFAOYSA-N 470.471 1.848 30 10 JDEE C=CCN(C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)[C@@H](Cc1ccccc1)C(=O)OCC 1128003412 OCLKTRNPWIPPCR-DMPNSMEDSA-N 454.523 1.728 30 10 JDEE C=CCn1c(S)nc2cc(C(=O)N3CCN([C@H](C)C(=O)N4CCCC4)CC3)ccc2c1=O 1137336063 OFZJDGPUVVCECY-MRXNPFEDSA-N 455.584 1.640 30 10 JDEE COC(=O)[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1c1ccc(Cl)cc1 1163973249 HPIOGNLQCHBOAX-RBUKOAKNSA-N 461.927 1.905 30 10 JDEE COc1nc(N2CCN(S(=O)(=O)c3ccc(F)cc3C#N)CC2)ncc1Br 1187692559 BGPYKXPFVNXDHD-UHFFFAOYSA-N 456.297 1.769 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)Oc1cccc(F)c1 1286377111 SCQHKKQATGAOAK-MJGOQNOKSA-N 465.551 1.677 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1286393289 JPXDOLUXOGLXJE-SFHVURJKSA-N 480.587 1.212 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1286398502 YDDHJSKWVMZLQG-QUCCMNQESA-N 460.556 1.208 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(OC)CCOC1 1286428034 OYAJBTGXBWWQLU-YADARESESA-N 473.574 1.855 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286434045 CXEWPOHSHUEZSI-GOSISDBHSA-N 459.547 1.741 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CCC[C@@H]2C)n1 1286471616 OUKPSEFWOWHAHG-WCAVRKLYSA-N 455.563 1.263 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CCOC2)CC1 1286701173 WJKSZMJYJUHVAA-OALUTQOASA-N 453.609 1.830 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1286792311 UJTIIQRILXEJLE-LJQANCHMSA-N 471.581 1.515 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(Cc3ccccc3C)CC2)nnc1[C@]1(OCC)CCOC1 1286794203 ZIUPIUWKUQYSTK-VWLOTQADSA-N 468.602 1.863 30 10 JDEE CC(C)CN1CCO[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(N)=O)CC2)C1 1287785740 GPVDJPAZMSBBMO-NRFANRHFSA-N 451.575 1.875 30 10 JDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H](C(C)C)N2CCOCC2)CCOC1 1296603975 BKBIJWHHWJCHSI-YUXAGFNASA-N 450.559 1.729 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1300273289 PTMUGPCZUYVJEM-RLBWVDARSA-N 481.944 1.846 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1ccc(C(N)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1300489837 TZWPZPQLBYGTCU-HXUWFJFHSA-N 478.578 1.676 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CC1(C(N)=O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300489882 UUCPZSTXPRBRJR-GOSISDBHSA-N 471.583 1.162 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1cc(C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1300494030 XUTJKNOWFAEAJH-LJQANCHMSA-N 466.567 1.922 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300503050 ZSYRSPMNRTTZBH-XZDHIHRUSA-N 472.611 1.620 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)Cc1ccccc1 1300631163 MSNBSMOYIHHESS-TZIWHRDSSA-N 474.631 1.591 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(c2ccccc2F)C1 1300671134 CLAVLSQEZBQJHN-MOPGFXCFSA-N 475.590 1.932 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cc(C)nn2C)CC1 1300728784 FTTSYHBWMZLREM-UHFFFAOYSA-N 452.588 1.690 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1300890409 GMLVYRIOMZDCHH-PZJWPPBQSA-N 477.635 1.593 30 10 JDEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301158776 OVGUHHCRTYAGKQ-VWLOTQADSA-N 488.633 1.848 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1301490620 WPHFLFKXQFMFEV-UHFFFAOYSA-N 472.912 1.627 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1nc(O)c2sccc2n1 1301521040 YIRNJADJKDKMPB-GUYCJALGSA-N 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1690670608 FTPNJXPKRHRQPX-HKUYNNGSSA-N 454.579 1.616 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1690722530 MPCOEGNFBLVFFN-HXUWFJFHSA-N 470.555 1.922 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2nccn2C(F)F)c1 1705506073 ZKLJICHAQNLNNU-INIZCTEOSA-N 468.468 1.925 30 10 JDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1705541618 NVSZCMJQPUHSSU-HOTGVXAUSA-N 454.597 1.605 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1705565855 XCUNJXJWKPJFGJ-INIZCTEOSA-N 455.544 1.240 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1705567920 CQMMJBJZSAFOMS-FPOVZHCZSA-N 469.567 1.925 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N[C@H](C)CC 1705580624 MXKZETAIWNAPCB-QGZVFWFLSA-N 455.588 1.616 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(O)CCOCC2)CC1 1705649559 BUJYFDCRNZSQMK-UHFFFAOYSA-N 473.524 1.654 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H]1COc2ccccc2O1 1705928795 UVYPCPIMXAHRBP-KRWDZBQOSA-N 475.571 1.391 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1705933273 ZZKQEICRNBFAGP-UHFFFAOYSA-N 494.625 1.863 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1705934738 VSXLNPGVMXKULE-SFHVURJKSA-N 478.663 1.716 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1705934825 YJLIHHQDDBLCHI-VQTJNVASSA-N 478.663 1.922 30 10 JDEE Cc1noc(C)c1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1707931811 CDEQCUIXPLTJHC-CXAGYDPISA-N 451.553 1.054 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1722304717 DFYPDSOUVNXWSW-BZZOAKBMSA-N 496.531 1.923 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1722359015 HYQLRJQFVRWZDN-MGPUTAFESA-N 468.938 1.516 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1722367842 XZTCNFYZKMGGOA-MRXNPFEDSA-N 477.537 1.300 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1722371088 TXVDXIFIBFGJMO-DOIPELPJSA-N 493.674 1.544 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](CC(C)C)N(C)C)CC1 1722449691 OGIMZICUECIZHI-FQEVSTJZSA-N 457.623 1.343 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc([C@H]2CCOC2)cn1 1722517314 JJQVZWQMYIWMIW-AZUAARDMSA-N 493.634 1.414 30 10 JDEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722627170 SVOFDSLEYGFYBO-UHFFFAOYSA-N 471.953 1.527 30 10 JDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1722628708 ZDTMKURDTPAYGC-KRWDZBQOSA-N 451.593 1.760 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCN2CCC)C1 1722718872 ODBRWCAQNDCXHM-XUVXKRRUSA-N 482.651 1.267 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740618094 BZEJPMIECMYWRZ-IBGZPJMESA-N 484.582 1.968 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1740625126 MMKXWPLPEIYIMO-SFHVURJKSA-N 455.540 1.849 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)N(C)C 1740652512 BXNCTKQAVJKHIB-UHFFFAOYSA-N 451.556 1.485 30 10 JDEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@@H](C)OC)CC1 1740698742 NBYFNASWPPCBFC-JOCHJYFZSA-N 451.619 1.433 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@](C)(O)c2ccccc2)CC1 1740706139 QBOPVGWUICGTFS-CPJSRVTESA-N 464.570 1.493 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCNC2=O)CC1 1740851380 UNTTZMKCYOMGDE-MRXNPFEDSA-N 450.609 1.777 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(OC)c2)C1 1740978997 ATBUYVBWNAIWOQ-LEWJYISDSA-N 491.614 1.644 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(OC)c2)CC1 1740985413 HKRMIKQKGVGAFY-UHFFFAOYSA-N 488.614 1.450 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1740985785 LUQDCAJIFDTCLG-WOJBJXKFSA-N 480.679 1.629 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1741664782 HAQNXHLWYIXHIH-MBSDFSHPSA-N 458.611 1.489 30 10 JDEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1747422018 GRQPUXAUHVJLPX-UZUQRXQVSA-N 488.614 1.607 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1748640875 XYSJMVMFIBYLBH-SUNYJGFJSA-N 459.494 1.796 30 10 JDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CN(CC(C)C)CCO1 1748771639 MKCSBAHXXRKFJB-IBGZPJMESA-N 473.647 1.973 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1748805927 YLCAPOBGSVCKQT-WBVHZDCISA-N 463.535 1.320 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1748818519 BZOYSIKMQOVVEO-HXUWFJFHSA-N 468.583 1.769 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@]1(O)CCS(=O)(=O)C1 1748950336 JNWBAHVLLJQLEN-QFIPXVFZSA-N 478.640 1.911 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1748960575 LMAVVYLJALAUPQ-AVRWGWEMSA-N 480.569 1.862 30 10 JDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCC(=O)N[C@@H](C)CC)CC1 1748986712 HXFHJBFIIOCWPF-KRWDZBQOSA-N 462.558 1.654 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1749001233 MYAGOCHRPCQGLA-GOSISDBHSA-N 487.564 1.993 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCCCO)CC1 1749009305 OMCGJFNOZKNRSM-UHFFFAOYSA-N 491.596 1.803 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(OCCN(C)C)c2)CC1 1749009674 VJMIXNLJVFEXCX-UHFFFAOYSA-N 488.596 1.690 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1749020505 VUNFJMVTHWEFLA-VQTJNVASSA-N 489.690 1.600 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1749654995 ABVZNBUFKBYVBA-SFHVURJKSA-N 490.511 1.676 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1749660883 VHCIERYIAUPQBI-KRWDZBQOSA-N 477.587 1.668 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1749705866 LFNLTCCWMTXZGR-KRWDZBQOSA-N 459.551 1.754 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)C[C@H]1CCCO1 1749730905 VGCODOPRIIPMKS-QGZVFWFLSA-N 486.598 1.798 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(=O)N(C)C)c1 1751094056 CNXQMOSFWZPDET-AEFFLSMTSA-N 474.587 1.434 30 10 JDEE C[C@@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1752430571 HPMQJOMRSWXZCH-MRXNPFEDSA-N 456.572 1.953 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2CCNC(=O)C(C)C)c1 1760128305 FEHJCUJJEHFKMG-UHFFFAOYSA-N 491.552 1.834 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760146961 BUFAWGNVBHTGNX-MJGOQNOKSA-N 472.571 1.544 30 10 JDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H](C)CN1CCOCC1 1760177180 ZGOKHSFQRCACMJ-QHCPKHFHSA-N 465.646 1.681 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1760183063 LRJXEMKIEAEXBN-WNNBVUDTSA-N 468.004 1.531 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N1CCN(CC)CC1 1760233260 SSHXGLZLUNYLKR-IBGZPJMESA-N 462.602 1.678 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCS(C)(=O)=O 1760296951 AWWHLPNYWGEOBF-XMMPIXPASA-N 470.643 1.680 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1760316247 OWOYXXWCSDHTGJ-FJIDUMEYSA-N 498.650 1.973 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1760346196 NBMYMANORZKKGA-ROUUACIJSA-N 498.650 1.928 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sc(C)nc1C 1760495320 KUMQWUAVVMFDFY-MRXNPFEDSA-N 452.606 1.911 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](OCC=C)C1 1760520924 DOFVTYQUHAPBEX-KRWDZBQOSA-N 463.542 1.758 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760521186 LWZBOIXKFVXTRA-UHFFFAOYSA-N 499.597 1.763 30 10 JDEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(NC(C)=O)CC1 1760561877 PFPXQDSTKZLCSE-UHFFFAOYSA-N 453.576 1.945 30 10 JDEE CC(C)CCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1761074852 HDVVTZVMANPMPG-SFHVURJKSA-N 465.624 1.562 30 10 JDEE CC[C@H](C)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1763424914 GSBFPFGELNGRPA-SCTDSRPQSA-N 469.594 1.854 30 10 JDEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1764309884 DAHVQLAFABHLAS-UHFFFAOYSA-N 462.576 1.361 30 10 JDEE COc1cc(/C=N/n2c(SCCO)nnc2[C@@H]2CCCO2)ccc1OCCN1CCOCC1 1874453958 WLDBKOYPVPHHSC-LKZQPVPRSA-N 477.587 1.816 30 10 JDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4ccc5c(c4)OCCO5)nn3C)CC2)CC1 1889753573 FUBOXTFKXGSQME-UHFFFAOYSA-N 493.608 1.730 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Oc1ncccc1B1OC(C)(C)C(C)(C)O1 2224121154 PUOSEPLWXQEQOT-HUUCEWRRSA-N 454.354 1.450 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255838096 AERCHXFCKATKKL-OCCSQVGLSA-N 453.370 1.854 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255950727 SRGHCAIIZLLMAH-OAHLLOKOSA-N 453.370 1.669 30 10 JDEE CCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256636137 JULYJYYESVXLLF-CQSZACIVSA-N 455.386 1.988 30 10 JDEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@]1(CNC(=O)OC(C)(C)C)CCOC1 2267143763 MJAMGKLBAVFUKY-NRFANRHFSA-N 450.345 1.465 30 10 JDEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267419265 OVGAUURFKYPICN-AWEZNQCLSA-N 472.417 1.643 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2267458827 XMIFXNDIATVEED-QLFBSQMISA-N 468.381 1.118 30 10 JDEE CC(C)(C)OC(=O)NC[C@H](O)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2267706577 AZFMGDLRBPWOET-AWEZNQCLSA-N 474.360 1.289 30 10 JDEE CC(C)(C)OC(=O)NC1CC(O)(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2267716145 ISAQTRVBVBJOIG-UHFFFAOYSA-N 488.437 1.744 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@@H](F)C1 2267871995 RACKRFRAVKVZFI-UONOGXRCSA-N 450.320 1.853 30 10 JDEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 2268632898 OVFZCARLIGYKOW-AWEZNQCLSA-N 467.397 1.774 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268717308 KBOGUUXOBPUZAK-KGLIPLIRSA-N 467.397 1.988 30 10 JDEE Cc1c(C(=O)N[C@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281801384 DSDJROLNZQCZMG-GJZGRUSLSA-N 464.372 1.440 30 10 JDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)c1 2281822469 ABTNPMTXKBLKSW-QWHCGFSZSA-N 454.254 1.982 30 10 JDEE CO[C@@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)OC(C)(C)C)C1 2281981120 FWNLPJMIPVMOSL-HUUCEWRRSA-N 464.372 1.853 30 10 JDEE CCn1cc(C(=O)N2CC[C@@H](C)[C@H](NC(=O)C(F)(F)F)C2)nc1B1OC(C)(C)C(C)(C)O1 2282032218 CUQJJIZPXBMTIA-CHWSQXEVSA-N 458.290 1.731 30 10 JDEE CN(CCOCCN(C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C(=O)OC(C)(C)C 2282049244 XDWRMQJATXGGIG-UHFFFAOYSA-N 466.388 1.675 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C(F)F)C1 2282176317 RTGXTMFUXLCQPN-VXGBXAGGSA-N 471.314 1.345 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1C[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2282329682 PXXRLKLNJKZGAR-ZNMIVQPWSA-N 482.412 1.396 30 10 JDEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2Cl)C1 2282411030 ROQHOUIMGJEABP-UHFFFAOYSA-N 479.770 1.844 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)n1 2282504515 QASMUJFAJMRXDP-HNNXBMFYSA-N 484.428 1.787 30 10 JDEE CN(C[C@H]1COCCN1C(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282535289 MJDBAXUWVVHAQS-HNNXBMFYSA-N 464.372 1.427 30 10 JDEE NC(=O)CC[C@H](NC(=O)COc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O)C(=O)O 2297475457 WDROCGVNOVXGFX-HNNXBMFYSA-N 468.418 1.245 30 10 JDEE COc1nc(OC2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339829071 MBFRKIHWBYSBIK-UHFFFAOYSA-N 450.297 1.842 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(CCNC(=O)OC(C)(C)C)CC1 2362352675 FWDFCQVKWKCVSH-UHFFFAOYSA-N 463.388 1.002 30 10 JDEE COCCCn1c(=O)/c(=C\c2ccccc2Br)s/c1=C(/C#N)C(=O)N1CCCC1 12555606 MGGZCEMZBMVAHD-HIBZKQORSA-N 476.396 1.834 30 10 JDEE COc1cccc([C@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)c1O 72444415 UEOAHSGRMNGLEM-UKRRQHHQSA-N 453.455 1.051 30 10 JDEE Cc1cc(C)cc(NC(=S)N/N=C2\C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c1 102765109 SVUQBRHHOAGDSJ-GFMRDNFCSA-N 487.607 1.991 30 10 JDEE N/C(=N/O)[C@@H]1CN(C(=O)c2cc(I)ccc2Br)CCO1 236329933 YVMXJVQRBWUDOL-JTQLQIEISA-N 454.062 1.641 30 10 JDEE C=CCn1c(Cc2ccccc2)nn(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)c1=S 915203490 RXARLKAGAGBQFY-UHFFFAOYSA-N 478.644 1.343 30 10 JDEE C#CCNC(=O)c1ccccc1NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 921163736 YOEJBQGPNOUIFT-UHFFFAOYSA-N 492.351 1.804 30 10 JDEE COc1cccc(C=NNc2nc(SCC(=O)N3CCN(CC(=O)NC(C)C)CC3)n[nH]2)c1 1083911734 SWZHPLCDULEITK-UHFFFAOYSA-N 474.591 1.020 30 10 JDEE C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286342214 OGYPGVVJCOGSEP-MSOLQXFVSA-N 466.542 1.377 30 10 JDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1286352150 XDWBPAYZACBDKZ-UHFFFAOYSA-N 468.587 1.230 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)[C@@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1286385206 VVARNPDHLOPLJY-RXVVDRJESA-N 482.610 1.996 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286387402 DEEOOIYYXYAMNE-NRFANRHFSA-N 482.610 1.554 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cc(C)on1 1286459604 DUIKHAGDULDYKD-UHFFFAOYSA-N 458.544 1.626 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC=CO2)n1 1286470682 BGXPTPJAFRIMOR-AZUAARDMSA-N 474.587 1.356 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@H](C(F)F)N1CCOCC1 1286516969 ODYVPFJXZIREOI-JXXFODFXSA-N 474.578 1.236 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncc(F)cn2)CC1 1286546031 FMOOKZHZYJEQJB-JZXOWHBKSA-N 494.597 1.125 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c(c1)OCCO2 1286758590 RQVSBJWYAFRWDE-OAQYLSRUSA-N 489.598 1.803 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(OC)CCCC2)C1 1286810852 WQBFMGFGDLQZRQ-MSOLQXFVSA-N 469.608 1.352 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286816477 JOZQPUJOUKRHTG-UHFFFAOYSA-N 476.534 1.206 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1286818293 FZAUGZMDYCMLTJ-UHFFFAOYSA-N 470.555 1.916 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)C1 1286846806 DYOXQLLDONSBJH-LJQANCHMSA-N 473.603 1.449 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@](C)(O)c1cccs1 1288154372 GLXBMAHMYOCLNA-QHCPKHFHSA-N 480.598 1.979 30 10 JDEE C=CC1(CC(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)CN(C(=O)OC(C)(C)C)C1 1294253904 JTPOOCHJEQKNHX-UHFFFAOYSA-N 459.609 1.699 30 10 JDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)CC1 1297964023 HKKRDFWMCNRLIW-UHFFFAOYSA-N 451.575 1.986 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCO[C@@H]2C)c1 1300331921 UPWPTUGXAQFPMZ-OSPHWJPCSA-N 466.542 1.110 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1300383620 CXJPSGVUONCXOX-SFHVURJKSA-N 488.614 1.202 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1300478778 BEMHXZZBNKQLFX-MSOLQXFVSA-N 489.573 1.747 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1300482367 FHQJCXVISZOXDW-GOSISDBHSA-N 454.556 1.998 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)CC1CC1)[C@@H]1CCS(=O)(=O)C1 1300489561 PBYKUQDFIKCRIB-HXUWFJFHSA-N 487.607 1.268 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300491745 ILIUVHIFIFEKSM-FPOVZHCZSA-N 483.573 1.804 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1300493228 SSKDQTWKQRPUMU-VQTJNVASSA-N 470.599 1.165 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCSCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300494120 YYSFWVXKNIAPIW-AWEZNQCLSA-N 462.523 1.601 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN1CCOCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300495241 GCVIJARPFJENHT-MOPGFXCFSA-N 465.620 1.257 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCCN(C(C)=O)C1 1300545555 RVTZVYJHRULUGA-RUZDIDTESA-N 487.652 1.974 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccc(OC)cc1 1300578151 IDTFVELGCHOIKL-QFIPXVFZSA-N 485.610 1.715 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CC(C)C)CC2)CC1 1300726507 PAXFTDHDOXXXLT-LJQANCHMSA-N 461.632 1.972 30 10 JDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1300766865 MMYCQKGGBSJCAB-HSZRJFAPSA-N 483.686 1.862 30 10 JDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCS(=O)(=O)CC1 1301296909 LEEXJTULSCTWGF-INIZCTEOSA-N 485.607 1.148 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCc2oncc2C1 1301478092 HVEGIMSPJNOCKI-UHFFFAOYSA-N 455.906 1.714 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CCOc2ccccc2)CC1 1301500522 NADVJTDPZNMWML-HXUWFJFHSA-N 454.575 1.675 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)Cc2cccc(F)c2)C1 1301553119 FACKLAFQPYURIF-FQEVSTJZSA-N 453.522 1.958 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1301579138 OCQUJEPGMRNIPX-HXUWFJFHSA-N 467.555 1.729 30 10 JDEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1306546899 DRDIUXKGKJFXEU-XLIONFOSSA-N 464.574 1.925 30 10 JDEE C#CCNC(=O)C1CCN([C@@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 1307719089 IQQZJNNXAFSHDN-AWEZNQCLSA-N 454.980 1.379 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1358913594 RVPRUKXEUWOUSB-BHIFYINESA-N 476.691 1.979 30 10 JDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1358918786 HNKVMFZLFYZAIU-PMACEKPBSA-N 457.623 1.647 30 10 JDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC1(N2CCOCC2)CC(OCC)C1 1358997041 BKYAODPHRGEXLE-UHFFFAOYSA-N 479.629 1.873 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCn2c(C)nc3ccccc32)CC1 1359029082 OIKADGSDINXQNK-SFHVURJKSA-N 484.630 1.392 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1359042173 VGADUDVHMYFZMS-SKPFHBQLSA-N 459.591 1.711 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@](C)(O)C(C)C)CC1 1359043616 AZAZIDJBMFOYBX-HSZRJFAPSA-N 456.547 1.379 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1359126164 HLYWIRKDRUUDST-GOSISDBHSA-N 465.562 1.484 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(CC)ns2)CC1 1359126519 RVPAYIANOAOQRA-UHFFFAOYSA-N 460.608 1.847 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCCN2CC)CC1 1359179321 RNELIESXLSSYIA-PMACEKPBSA-N 466.652 1.888 30 10 JDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1359210503 WBVJTUURPQRUIH-UHFFFAOYSA-N 483.598 1.818 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN2CCOC[C@H]2C1)C(C)C 1359265806 METOGZZZTKOMJX-NJDAHSKKSA-N 457.623 1.449 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@@]1(OC(C)C)CCOC1 1359335276 GVGMQFLXQARRLX-KGVIQGDOSA-N 481.619 1.167 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359336061 DAAIIDYVRXDLTB-UHFFFAOYSA-N 462.620 1.509 30 10 JDEE C=CCN(CC=C)[C@@H](CNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C(C)C 1464874036 XPIQWWXHBCUIIC-AWEZNQCLSA-N 451.369 1.707 30 10 JDEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1 1503638305 HTEYIDFHMVBUPQ-LJAQVGFWSA-N 451.574 1.121 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccnc2OC)c1 1507548766 VNPUWABQWIEQOL-MRXNPFEDSA-N 497.581 1.396 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1507630480 ZZYPUGCSILELSL-RBUKOAKNSA-N 462.597 1.539 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1507640647 VDFFQCLFFPLHFM-MBSDFSHPSA-N 490.582 1.298 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC(C)C)nc2)CC1 1507734145 SGUOIMGUDDPDBB-UHFFFAOYSA-N 479.585 1.710 30 10 JDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1507754048 KJFKNENTHYTWSC-GOSISDBHSA-N 480.616 1.526 30 10 JDEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507858630 GXCWFLNRCRDARP-UHFFFAOYSA-N 453.934 1.840 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1508072740 KCJQQJGYBWTGEM-QHCPKHFHSA-N 488.614 1.505 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1508142919 CKHKNPNWECXQID-UHFFFAOYSA-N 474.631 1.948 30 10 JDEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](C)(C(N)=O)C1 1508156343 WDBJGMCJWLELOI-HXUWFJFHSA-N 463.633 1.859 30 10 JDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1517439461 BISFJGGIEHDXGZ-UHFFFAOYSA-N 455.519 1.389 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(F)cc2)C1 1519562710 HVMDKXFKKKZVNJ-APWZRJJASA-N 452.487 1.240 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)CC1CC1 1539002192 ARIDWZXIVHIKCO-MRXNPFEDSA-N 468.583 1.958 30 10 JDEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539097366 KPAOBRXYQAGMPX-HNNXBMFYSA-N 460.336 1.922 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1539211695 NIABEUSCXPFAEZ-PXNSSMCTSA-N 460.556 1.972 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539219347 BWRNDMFRWPGHNV-RTBURBONSA-N 463.604 1.595 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1539222200 UKIXOQMLVLRMNY-IAGOWNOFSA-N 496.680 1.846 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(OCC(F)(F)F)c1 1539413435 IMKPVVRDGXTILS-OAHLLOKOSA-N 452.437 1.700 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCN2CCCC)CC1 1539447124 OJPNKPORCJEVNM-LEWJYISDSA-N 462.664 1.590 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539505479 CIYYPTYAHCOSKM-GOSISDBHSA-N 484.582 1.801 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1539688992 ZCZBJJSPWJTBOM-UHFFFAOYSA-N 473.599 2.000 30 10 JDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1539704533 DPZPFRVGQMQBLS-LJQANCHMSA-N 450.653 1.751 30 10 JDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(C(C)=O)CC1 1539744794 XALQLSWCTGRJEW-UHFFFAOYSA-N 465.558 1.843 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1540029624 VWJGEVZYIKXWMY-QGZVFWFLSA-N 468.601 1.565 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1540905794 WBBSMQNPLHRKEV-SFHVURJKSA-N 469.608 1.688 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H](C)C1 1540987000 UTVVFRJSLSLVAD-HZSHHLKBSA-N 464.530 1.232 30 10 JDEE Cc1nc2ccccc2n1CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1542951081 CMWOTNPZCKYTQZ-NVXWUHKLSA-N 472.575 1.366 30 10 JDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN(C)C1CCCC1 1548169256 DOTBUBZSPOFITP-UHFFFAOYSA-N 455.611 1.929 30 10 JDEE CN(C)S(=O)(=O)N1CCC2(CC1)C[C@@H](C(N)=O)N(c1ccc(C#N)c(C(F)(F)F)c1)C2 1548379939 LHPXXYJEUVSGNT-INIZCTEOSA-N 459.494 1.530 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)CC1 1564681155 JQCGTVVNRNFMRG-XJKSGUPXSA-N 459.341 1.239 30 10 JDEE C#CCCCCn1c(N2CCC(N(C)S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1587793523 PHDFRPRMCKEDDC-QFIPXVFZSA-N 467.636 1.982 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1587807849 JTWIGUYVSLIEAK-HKUYNNGSSA-N 453.609 1.856 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCS1(=O)=O 1588398247 CCBQLFQRKFOEGJ-KRWDZBQOSA-N 482.607 1.082 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCS(=O)(=O)N(C)C)CC1 1588768473 GJFHNMUBIWWYBO-UHFFFAOYSA-N 458.632 1.889 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1589069903 OQYCZLUKFXQQCY-IAGOWNOFSA-N 453.634 1.288 30 10 JDEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1594793409 MKBZCKXVFNBLSO-CYBMUJFWSA-N 495.403 1.509 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1595784565 IZOIIDRLHURFPN-NHCUHLMSSA-N 487.674 1.936 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCO[C@H](Cn2cccn2)C1 1595785314 WUEGYPZJBDKATN-SFHVURJKSA-N 472.571 1.656 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC(S(C)(=O)=O)CC1 1595804863 HMKLUVTUHIKUKG-UHFFFAOYSA-N 470.592 1.622 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1595811974 IWNXLCXQQGLFIM-OAQYLSRUSA-N 480.660 1.536 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1595823962 UNFSBSKYDNRUON-MJGOQNOKSA-N 459.572 1.481 30 10 JDEE C=CCS(=O)(=O)CCn1c(N(C)[C@H]2CCOC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595830559 DFRSRCKEHJYBEQ-BBWFWOEESA-N 469.608 1.875 30 10 JDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1614023542 AKRXSAUWMXEUQA-UHFFFAOYSA-N 491.600 1.596 30 10 JDEE CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1N(C)CCCC1(C)C 1618314748 HUXLMVOVKDXWRC-FQEVSTJZSA-N 489.646 1.835 30 10 JDEE C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1672352396 HNAMVPLRYNAKCA-MGPUTAFESA-N 455.540 1.709 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(Br)C1 1689930012 JEYRQIOXHNMJME-OAHLLOKOSA-N 458.382 1.513 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1689931942 MKLCDHMOPFNUFH-VXKWHMMOSA-N 487.626 1.862 30 10 JDEE C#CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1689984196 MFGLIUJDHLGEES-QGZVFWFLSA-N 476.513 1.593 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1689997005 UCNXMEHKGGFSSL-OKZBNKHCSA-N 491.639 1.569 30 10 JDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CCS(=O)(=O)N1CCSCC1 1690026775 LESJBJUUHCBKDK-UHFFFAOYSA-N 477.587 1.448 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCN(C)C1 1690093548 CCHHTWXOHUXWRL-JOCHJYFZSA-N 460.966 1.014 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCSC1 1690101163 QPTJNNNAFZSVMA-HSZRJFAPSA-N 468.583 1.629 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1690141914 FAFNMELFIXTHKG-UHFFFAOYSA-N 495.584 1.600 30 10 JDEE C=C(Br)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1690220831 BRRHLLDAXPZKFW-CQSZACIVSA-N 497.419 1.771 30 10 JDEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1690312850 DVVNPWZPZDGYNX-UHFFFAOYSA-N 465.624 1.622 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C)C(=O)C1 1690719578 PNCMQUBYMCYGSO-UHFFFAOYSA-N 482.404 1.895 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccs2)CC1 1690724577 RXWJATGXIKURJF-INIZCTEOSA-N 485.657 1.169 30 10 JDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1690729496 OCEVVHJAEJBVKW-HZPDHXFCSA-N 457.597 1.765 30 10 JDEE CO[C@](C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1)C1CC1 1697102055 BYCBZNRHTSKTJU-XUZZJYLKSA-N 468.558 1.885 30 10 JDEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(S(C)(=O)=O)CC1 1697285593 CCTTXZUQLRUOFA-AWEZNQCLSA-N 451.936 1.913 30 10 JDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2OC)CC1=O 1698085089 GEWYEKGKEURFEJ-VQTJNVASSA-N 454.531 1.163 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)N[C@H](C)CC 1705481960 PKCGORQPJZKQSS-IAGOWNOFSA-N 460.604 1.958 30 10 JDEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1cn(C2COC2)nn1 1705544829 FMNGDWPSTMGQMQ-UHFFFAOYSA-N 458.320 1.997 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705569566 HXWDWASMZSSJNW-HXUWFJFHSA-N 471.627 1.995 30 10 JDEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1705616262 AQHRMODOHUOBBO-UHFFFAOYSA-N 474.612 1.567 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCNC(=O)c2ccco2)CC1 1705649482 ZLWGQIFYUHIZNM-UHFFFAOYSA-N 476.537 1.943 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(OC)c2OC)CC1 1705651004 GIQINDKQPQKOAN-UHFFFAOYSA-N 480.569 1.432 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCOCC1 1705668619 QBJZFKFQWPOCFF-YADARESESA-N 486.642 1.761 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](C(F)F)N1CCOCC1 1705717060 BOYHSSXXBUCPMT-IAGOWNOFSA-N 461.579 1.939 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1705890800 JDSUPKAMMDNAMM-VQTJNVASSA-N 477.587 1.601 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1705896836 ABLQRRHOYLFJOE-SJLPKXTDSA-N 462.576 1.238 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(Br)o1 1705938253 SGMLRKKFYFVQFD-UHFFFAOYSA-N 486.392 1.993 30 10 JDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1)C1CCN(S(C)(=O)=O)CC1 1711026096 DZUWGHXFKJWURF-WJOKGBTCSA-N 476.628 1.588 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1(CS(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1722365738 NUPVNSQYSPZPLD-HXUWFJFHSA-N 490.651 1.629 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1722370023 KJDNPONMJNHCKM-KRWDZBQOSA-N 462.547 1.928 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCNS(=O)(=O)c1ccc(C)s1 1722397959 PSGUZTQYLOOAGN-INIZCTEOSA-N 460.585 1.041 30 10 JDEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1C[C@@]1(O)CCS(=O)(=O)C1 1722408518 JNFVKJFLKUTMDZ-SFHVURJKSA-N 453.362 1.717 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1722432362 WJLNWDWLVFNTFB-ZWKOTPCHSA-N 497.666 1.147 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCN2CCCO[C@@H](C)C2)CC1 1722446352 STQFUWHBKWLJEB-IBGZPJMESA-N 466.590 1.202 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1722685809 NOWSNUSCCZOVPG-UXHICEINSA-N 466.652 1.889 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722692064 WCWBDFWFQDRRJY-PBHICJAKSA-N 451.524 1.483 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1722727299 HKOMZKDJNATJEG-QFBILLFUSA-N 498.602 1.498 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1722728578 RSLQVGBGNMRBBR-QZTJIDSGSA-N 482.632 1.127 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C(=O)NC)CC1 1722728594 XUJSJTOHEAFEPH-UHFFFAOYSA-N 483.598 1.694 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](C(=O)OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722731577 OMUJWXQNBUDBRJ-DYESRHJHSA-N 470.592 1.309 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCCC2)C1 1724009856 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C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740969641 UNQVAUUZFHUVRM-IEBWSBKVSA-N 488.614 1.608 30 10 JDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)N1CCOCC1 1740971727 VGALBDIVVWKOTJ-UHFFFAOYSA-N 468.558 1.309 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1740992791 UADMEAJVDMQBBG-QKNQBKEWSA-N 491.662 1.636 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCS(=O)(=O)NC)c1 1748691980 ANOHSZQCEFKFDI-UHFFFAOYSA-N 467.555 1.254 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCN2CCCS2(=O)=O)c1 1748694530 IOUYRDAPQUWLGI-UHFFFAOYSA-N 493.593 1.356 30 10 JDEE C#CCN(c1nnc(C2CC2)n1CCNC(=O)Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1748814806 JESYEVNZFCXDMI-LJQANCHMSA-N 459.547 1.280 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccc(C)cc1 1748891743 FDURMBBHAUTZMS-QFIPXVFZSA-N 485.610 1.851 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)NC(=O)OC(C)(C)C 1748962969 VKHVNBKKTGTGOY-MRXNPFEDSA-N 469.608 1.570 30 10 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JDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](C)(C(=O)NC)C1 1286710376 VNXWDZWMOGSVRQ-DEOSSOPVSA-N 465.558 1.747 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1286781090 OHWLCMPGQQATRC-HXUWFJFHSA-N 481.601 1.608 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1286782175 MQUAHZNBIQEFSX-QHCPKHFHSA-N 451.531 1.741 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1297778862 FEERFZBDXPFPLZ-UHFFFAOYSA-N 480.598 1.473 30 10 JDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 1297892399 DFDILBWDMLMFLO-SJKOYZFVSA-N 457.430 1.973 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CCCS2)CCO1 1299154134 DTRXMOQFPDMIMI-PGRDOPGGSA-N 456.572 1.966 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCN2CCOCC2(C)C)c1 1300331943 UXXFFRYXDLGRHR-UHFFFAOYSA-N 481.601 1.583 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1300339846 SABJGPTZUQVKSD-IAGOWNOFSA-N 476.607 1.089 30 10 JDEE C#CCCCn1c(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)nnc1[C@]1(OCC)CCOC1 1300424420 GMYJRVIFVXBDFP-DEOSSOPVSA-N 468.558 1.885 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1SC 1300465477 NLIDESQUNWEFLA-INIZCTEOSA-N 453.565 1.590 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300502001 OVPMHMWNAGYJKV-HXUWFJFHSA-N 476.647 1.149 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1300503453 CSTKLRRMAQJNEK-MBSDFSHPSA-N 476.599 1.899 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C(C)(C)C)no1 1300538867 VPHKMJSSUBSPPM-QGZVFWFLSA-N 460.560 1.018 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300575232 UNVBZNYVDSITEY-ICSRJNTNSA-N 455.588 1.346 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CN2CCOCC2)CCCCC1 1300631072 LAOFUTDQTOLOSD-HXUWFJFHSA-N 463.648 1.922 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCNC(=O)c2cccc(O)c2)CC1 1300720028 ZMIFVAUUANCGPS-UHFFFAOYSA-N 487.564 1.832 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(C)(C)C(=O)NC)CC1 1300728725 DVHYXBMEOOMUIZ-UHFFFAOYSA-N 480.613 1.810 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCS(=O)(=O)CC)CC1 1300731506 QMORQBRLCDVJEG-UHFFFAOYSA-N 494.017 1.911 30 10 JDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1300754470 RHAGGXJDIFTLQQ-UHFFFAOYSA-N 466.571 1.764 30 10 JDEE C#CCSCCn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300778193 OWWHIFYPUJKMTD-CVDCTZTESA-N 477.631 1.513 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2nn(C)c(=O)cc2C1 1300874816 OBFOUKOXIYPWSJ-HRAATJIYSA-N 469.590 1.834 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1301491647 MMPYDVODLDQQMF-NRFANRHFSA-N 460.542 1.838 30 10 JDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1301498087 JBLILRSVRCPWBH-UHFFFAOYSA-N 452.559 1.748 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1301520439 HAAOAMBCCUFYNY-SJORKVTESA-N 488.593 1.208 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCN(C(=O)NC)CC2)cc1 1301521051 YQACKBJFULPPDM-UHFFFAOYSA-N 476.541 2.000 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1301578485 BZANNSOJDBHZSG-UHFFFAOYSA-N 497.581 1.795 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1301585729 BEXLUNYPFWTUIY-OAQYLSRUSA-N 473.647 1.081 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1301585736 NQPAEOKPYMFOMB-MRXNPFEDSA-N 479.632 1.230 30 10 JDEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C1 1302426944 CTMNUSNRFYZRRM-LJQANCHMSA-N 456.572 1.746 30 10 JDEE COC(=O)Cc1cc(OC)ccc1S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1309386200 DODCPUULYNYGJO-GDBMZVCRSA-N 453.517 1.448 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2csc(C)n2)CC1 1358929722 GWJFSYFVQOBQBW-IBGZPJMESA-N 493.659 1.112 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1358959519 KRHJWZAPEFHYIX-KKIUXKEOSA-N 471.608 1.745 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 1358962453 QCECTZQHSLCEDG-WMZOPIPTSA-N 461.544 1.056 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCOCC1 1358991719 MIRZCJRFOUVQSV-UHFFFAOYSA-N 459.554 1.377 30 10 JDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1359012827 AQIJFMBRFMYNIY-QYZOEREBSA-N 472.590 1.884 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)CC1 1359038894 OUCWOBAVPLCPKU-UHFFFAOYSA-N 468.583 1.309 30 10 JDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1359056680 JSGXRHOXHPIWMP-NHCUHLMSSA-N 462.664 1.380 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)C1 1359099273 LTURLYTZACIAMG-PMPSAXMXSA-N 461.535 1.438 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NCC)CC1 1359329313 FKWAVYGDHSNEDK-UHFFFAOYSA-N 457.560 1.269 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccccc2[C@@H]1C 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C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(F)(F)F)CC1 1507750617 APALOHMNALLQEC-HNNXBMFYSA-N 481.566 1.756 30 10 JDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507752809 GOZBSFCKVHXKND-JOCHJYFZSA-N 493.637 1.838 30 10 JDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507756487 VTQWZPBYJHZMLU-UHFFFAOYSA-N 475.644 1.574 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(C)cc2)CC1 1507830649 OJAONOQGXGEQIW-FQEVSTJZSA-N 460.604 1.822 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2C1 1507844641 MSOOSQSXZYCJCW-FQEVSTJZSA-N 461.588 1.766 30 10 JDEE C=C(C)COCCn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507849595 YWKWYYLNMGMCMS-VWLOTQADSA-N 491.633 1.987 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CN1CCCCC1)C1CC1 1507993934 WAROEXTUGZKKNT-ICSRJNTNSA-N 466.652 1.888 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 1508090133 HQXROTHSNDTYMF-PMACEKPBSA-N 473.599 1.668 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)nc2OC)C1 1508125598 PNGAHTUBDXFZIF-IRXDYDNUSA-N 463.560 1.422 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1508129969 SWGSTSFTFGLVSG-RXVVDRJESA-N 450.536 1.339 30 10 JDEE CCN1CCCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1515868404 BPQZQKZQSHGIDR-RCCFBDPRSA-N 453.613 1.224 30 10 JDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1517526259 CYTICTKLVJVBCU-JOCHJYFZSA-N 492.628 1.722 30 10 JDEE COC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)OC 1518725796 BTOSQMIFWOOTIG-SLFFLAALSA-N 475.571 1.291 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1539051992 ANBAYGKNHFQIEC-ROUUACIJSA-N 452.625 1.381 30 10 JDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C)[C@H]1CCS(=O)(=O)C1 1539203101 NPMRIJFOYWGSRR-FHWLQOOXSA-N 477.610 1.374 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539230081 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C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1588780100 HQWVPADULSURRQ-QGZVFWFLSA-N 459.572 1.152 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1588985924 XHPSUQRCFXJKSA-RCCFBDPRSA-N 455.650 1.898 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cscn2)CC1 1589069290 JODHZCVQKAXLEZ-MRXNPFEDSA-N 466.658 1.325 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1589548420 ZQHPSCGSWLBLDR-AABGKKOBSA-N 478.619 1.722 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1595466789 NCLUODSTWBMRMU-UHFFFAOYSA-N 488.552 1.580 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1595477486 VNOILIAMSUPEQP-YCPHGPKFSA-N 468.605 1.218 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(S(=O)(=O)CC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1595602461 KTLGOTZHCMDDIQ-OAQYLSRUSA-N 469.608 1.024 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1595772983 LESCBIQLSKYUGS-MRXNPFEDSA-N 496.387 1.949 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3C[C@H](C)N(C)C)C[C@H]2C)CC1 1596278914 YMBLDBYFONUDAP-JXALWOEJSA-N 494.644 1.668 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)NC3CN(S(=O)(=O)c4ccc(OC)cc4)C3)cc2C1=O 1598177184 XREIAIWPEBSLDO-UHFFFAOYSA-N 455.492 1.280 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 1611428382 CPBNOCCBXQUZCD-UHFFFAOYSA-N 458.540 1.214 30 10 JDEE CN(C)c1ccc(-c2nnnn2[C@@H]2CO[C@H]3[C@H]2OC[C@H]3NC(=O)Nc2cccc(C#N)c2)cc1 1614388690 KDRQYKKPNYLJRW-NCYKPQTJSA-N 460.498 1.807 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@]2(C)C[C@@H](O)CN2C(=O)OCc2ccccc2)n1 1618759335 NRFKIEMTQAKEDU-ZJSXRUAMSA-N 454.527 1.653 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(O)(CCC)CCC)[C@H]1CCS(=O)(=O)C1 1689988193 KTJFWQAVRWFFFD-IRXDYDNUSA-N 451.593 1.187 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1689988597 SJQQKJRDLDAEDQ-GOSISDBHSA-N 452.540 1.613 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1689989156 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C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1690714418 MJFUEDUDGKEALK-OAQYLSRUSA-N 465.551 1.254 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1692843155 HEJAUQQGKQSPCV-OXJNMPFZSA-N 469.512 1.907 30 10 JDEE CC[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1)N1CCCC1 1694374388 BSRSVOHBJALFAS-MOPGFXCFSA-N 458.588 1.952 30 10 JDEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)c1=O 1695790656 HGIUDTFDKSSQBT-UHFFFAOYSA-N 481.582 1.565 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1705524464 MDYOHVOGUYPYGE-MRXNPFEDSA-N 461.548 1.537 30 10 JDEE C#CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=C)C)[C@@H]1CCS(=O)(=O)C1 1705564507 CMCAPKXNYRIISJ-MSOLQXFVSA-N 479.603 1.789 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1705565488 VCSFAEWCDZDJBX-GOSISDBHSA-N 472.615 1.559 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1705568915 AMKWJIVZFYJORY-IBGZPJMESA-N 454.556 1.738 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1705582503 CKOCZXLIHYFTTI-JOCHJYFZSA-N 481.622 1.258 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(C)C)cs1 1705598634 NDYDUDAXMDGUFO-GOSISDBHSA-N 476.628 1.702 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OC)nc2OC)CC1 1705647616 HWZBEZPZOUYVLN-IBGZPJMESA-N 468.558 1.946 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1705650126 LPEFPEXHCXCUDE-OAQYLSRUSA-N 478.597 1.780 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705695643 JFZZIPQNJIEHHU-QRQLOZEOSA-N 456.503 1.786 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705792138 NPGBBJIFAHOEAZ-IRXDYDNUSA-N 489.664 1.227 30 10 JDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1705809025 ZLLOMVSJSPJFAP-UHFFFAOYSA-N 451.579 1.997 30 10 JDEE CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 1710265807 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1722434725 YKSPGKQMUFSZAC-QFIPXVFZSA-N 460.604 1.112 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)c(Cl)c2)CC1 1722447436 LDJFWUCMWYAGGL-KRWDZBQOSA-N 493.992 1.987 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)c2ccco2)CC1 1722449635 NEIWIJNRAHULPJ-DEOSSOPVSA-N 496.593 1.736 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1722451067 FQUPRCDNUUQEGF-LJQANCHMSA-N 497.735 1.250 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCCC2)CC1 1722493094 WLSADTMLLPHJNB-IHPCNDPISA-N 494.662 1.708 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722694772 HXTYYLQPJWJFGY-RXVVDRJESA-N 451.575 1.236 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCN(c2ncccc2F)CC1 1722701761 CNKYHKQTPBITQJ-UHFFFAOYSA-N 498.588 1.823 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1c(C)nn(C)c1C 1722724701 DDNIEQGYLRWTGJ-UHFFFAOYSA-N 472.575 1.513 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2C[C@H]1CO2 1722727253 HDDIVWBQXTXNJX-BZSNNMDCSA-N 497.618 1.555 30 10 JDEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722735227 HZCZAJWDIYNIRJ-UHFFFAOYSA-N 488.643 1.812 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H]1CCSC1 1722750077 JWKRXAYLIKEANO-INIZCTEOSA-N 470.642 1.891 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCC2)CC1 1723660348 DJIQAVRREROVBQ-UHFFFAOYSA-N 457.604 1.819 30 10 JDEE CCS(=O)(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1729224665 CTDOQQXYGJQMNB-QGZVFWFLSA-N 477.566 1.059 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2CC(=O)NCC(F)F)c1 1729341813 CJHLRNQBDYLYQO-UHFFFAOYSA-N 481.529 1.317 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1729738862 CCJVOXCDGPLNMP-MRXNPFEDSA-N 459.576 1.059 30 10 JDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1740589817 FTMXPGYOZRGNBG-RBUKOAKNSA-N 451.593 1.216 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1740622088 TYPAYJCYWXKSHR-LJQANCHMSA-N 454.556 1.693 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)N1CCSCC1 1740629977 CJTGZPIBRPGKBI-UHFFFAOYSA-N 495.634 1.787 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)c1cc[nH]n1 1740638516 NQILJRJCNCSGBY-SFHVURJKSA-N 480.573 1.619 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccc(F)cc1 1740685216 CCEPNIMHMWCPBP-IRXDYDNUSA-N 450.536 1.873 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(N(C)C)cc2)CC1 1740696609 YWNIVFLYGZURIF-HXUWFJFHSA-N 456.616 1.244 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC(C)(C)C)CC1 1740701681 ATPJSISBNZZKEI-INIZCTEOSA-N 452.625 1.680 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccoc2CC(C)(C)C1 1740952077 UCYYDGMUMUPDTC-AWEZNQCLSA-N 450.565 1.372 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1740957855 CBPWPYBFKJEISB-WOJBJXKFSA-N 473.622 1.345 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@H](COC)C1 1740959327 RYUSGLAMMJEJHB-KRWDZBQOSA-N 481.557 1.390 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1740962270 XQRJBIXRXWRFHC-GBXCKJPGSA-N 477.617 1.819 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1740966978 ZHCKCQAZHCYGGN-GRWTVWFQSA-N 459.522 1.541 30 10 JDEE CN(C)C(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1747543653 CUTFSMQOMAYXEA-WIYYLYMNSA-N 466.590 1.878 30 10 JDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1748791356 SSUPIPKBZLXZTK-INIZCTEOSA-N 459.551 1.450 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(CCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1748804456 IAKLRTWJXRSTEQ-IAGOWNOFSA-N 471.649 1.485 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1OCC=C)[C@H]1CCS(=O)(=O)C1 1748812636 YJLALHPSDOEDRA-IBGZPJMESA-N 464.551 1.975 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCSCC2)cc1 1748960986 TUAXPPREPUFOHY-FQEVSTJZSA-N 454.600 1.917 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)COC)CC1 1749115410 PNZJSQADTUAXDC-FXAWDEMLSA-N 462.595 1.473 30 10 JDEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749216127 JYVFCSFMHNJKKG-UHFFFAOYSA-N 457.535 1.656 30 10 JDEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCNC(=O)CC1 1749454124 CAUITYPBAIWINZ-UHFFFAOYSA-N 451.531 1.594 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CC1(C)C 1751220556 DZQNPIJMPIUZJB-NVXWUHKLSA-N 458.592 1.528 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)CCOC)c1 1760129088 XMINIUNHZKEYIY-WZONZLPQSA-N 489.598 1.024 30 10 JDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C(C)C)N1CCOCC1 1760169751 AUQMYIHAHOFBOM-IBGZPJMESA-N 459.620 1.664 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 1760179234 PDFZRPSJOLYKJF-HXUWFJFHSA-N 471.583 1.336 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1760182055 BAZRPEDVPAUFQR-QGZVFWFLSA-N 459.963 1.825 30 10 JDEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1760183935 FCIOFZWZWKXYHX-MRXNPFEDSA-N 488.520 1.501 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cn2cccn2)c1 1760234030 RNDYLQYJYAAEHE-OAQYLSRUSA-N 483.598 1.364 30 10 JDEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1760449408 JAGASYOJLAYOEI-UHFFFAOYSA-N 487.586 1.705 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(NC(C)=O)CC2)cc1 1760530828 ZJKAMCFIUOTEGD-IBGZPJMESA-N 473.599 1.898 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1760549078 WGDVFYLNMXCONY-HZPDHXFCSA-N 465.551 1.860 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1760553263 PYPYUGCFFJUJNH-LJQANCHMSA-N 456.572 1.913 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCN(CC)C(=O)C1 1760554697 KKKFMKOUWKOVBD-IBGZPJMESA-N 475.571 1.450 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1760559663 JVHGKJHLIWZOFZ-AGIUHOORSA-N 457.544 1.964 30 10 JDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCN(C(C)C)CC1 1767574015 CSNXZGRDUAJNFH-GOSISDBHSA-N 453.591 1.870 30 10 JDEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(C(=O)O)cc1 1865723431 PPYJBJVYNKWRBZ-QGZVFWFLSA-N 484.553 1.954 30 10 JDEE CC(=O)Nc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)cc1 1870150523 FHWFTWWRDFXBRK-OAHLLOKOSA-N 473.449 1.787 30 10 JDEE CCCCCCCCN=c1nc(N2CC(O)C2)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871631500 CNLZSULYRHGIRZ-UHFFFAOYSA-N 453.547 1.638 30 10 JDEE COc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)NCc2ccco2)cc1OC 1874433527 PLFBEMXBWDFTTG-YSURURNPSA-N 472.527 1.815 30 10 JDEE O=C(NCC#CCN1CCOCC1)[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cccc1Cl 1890593418 AJXAPQQXHOICFF-KRWDZBQOSA-N 460.383 1.598 30 10 JDEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NCC#CCN(C(C)C)C(C)C)cc1 1890950430 FUMLKNIWNLCXDU-UHFFFAOYSA-N 467.632 1.822 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@@H]12 2267170212 SEOXWQSVNKKBHA-NWANDNLSSA-N 465.381 1.806 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267374701 VSDLLGXMNCEPIH-ZIAGYGMSSA-N 488.437 1.696 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2267375722 KYYGDUWSFWPZFL-CABCVRRESA-N 488.437 1.696 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CCO 2267486386 MADPGXJZORFQTM-AWEZNQCLSA-N 467.397 1.886 30 10 JDEE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2C(=O)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2267570698 WWMWGKDJAUIBLJ-LSDHHAIUSA-N 470.397 1.715 30 10 JDEE Cc1nc(NC(=O)CCOCCNC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268634724 JUDXXJCXVXMLLB-UHFFFAOYSA-N 450.345 1.954 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3C2)n1 2281953889 QKXKBTNQHSWCAO-LSDHHAIUSA-N 461.372 1.443 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2282004849 MCNYFYXVVWSBDQ-HZPDHXFCSA-N 460.384 1.870 30 10 JDEE CC(C)(C)OC(=O)N(CCO)C1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2282058759 ZDKKPMZYHTZLGW-UHFFFAOYSA-N 464.372 1.543 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC1CC(CCNC(=O)OC(C)(C)C)C1 2282860485 AXIAAYXRWACNKP-UHFFFAOYSA-N 485.416 1.086 30 10 JDEE C[C@H](NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2283966846 XOENDQIWDUDFTF-HNNXBMFYSA-N 461.368 1.804 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2284047720 JRDQZSPOPOTBJA-YESZJQIVSA-N 466.315 1.405 30 10 JDEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H]1[C@H](O)[C@H](O)CCN1C(=O)OC(C)(C)C 2284135313 OEHNEXMHKJAVQQ-FGTMMUONSA-N 466.384 1.920 30 10 JDEE CNC(=O)[C@H]1CN(C(=O)CNC(C)=O)C[C@H]1C1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 2297721059 OAEZVKOKDZLOAH-OALUTQOASA-N 479.503 1.750 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2299069870 OZJQPCALBZEQOG-ROUUACIJSA-N 450.561 1.161 30 10 JDEE COc1ccc(C=CC(=O)[C@@H]2C[C@H](NC(=O)CNC(=O)c3ccccc3)CCN2)cc1OC 2328106752 BMGVWEZBLYNSBI-UXHICEINSA-N 451.523 1.953 30 10 JDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cccc([N+](=O)[O-])c1 2330748530 YWKXNNPRCGKOAB-UHFFFAOYSA-N 457.472 1.706 30 10 JDEE CCCNC(=O)CSc1nnc(CCOC)n1N=Cc1cc(OC)c(OC)c(OC)c1 2331260634 STAUPLQEYYWBGM-UHFFFAOYSA-N 451.549 1.993 30 10 JDEE C=CCn1c(SCC(=O)N(C)CC(=O)N2CCOCC2)nc2sc3c(c2c1=O)CCCC3 11148033 NIIQDJNUAMMTFR-UHFFFAOYSA-N 476.624 1.932 30 10 JDEE COc1ccc(CNC(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2N)cc1 20527396 KEVOWIKZMMKBKC-LSHDLFTRSA-N 472.487 1.469 30 10 JDEE N[C@@H](CC/C(O)=N/[C@@H](CS[C@@H]1c2c(cccc2[N+](=O)[O-])C=C[C@@H]1O)/C(O)=N/CC(=O)O)C(=O)O 30728470 RQCSOWVLCHNLLC-XBPIAWKYSA-N 496.498 1.315 30 10 JDEE in-man,metabolite COc1ccc(OC[C@@H](O)Cn2c(NN=Cc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 254866814 SMENKUBFMQGWFI-KRWDZBQOSA-N 478.509 1.328 30 10 JDEE CC(=O)OC[C@@H]1O[C@@H](O[C@@H](C#N)c2ccccc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 256112682 QTSUMWNLKZZILY-KNPYFFGGSA-N 463.439 1.351 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)N3CCN(Cc4ccccc4)CC3)cc2C1=O 750644062 NLKOFSCSNVDIDM-UHFFFAOYSA-N 468.535 1.261 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)NCc2cnn(-c3ccccc3)c2)ccc1F 914658840 JGNPTEKUHWFDSV-UHFFFAOYSA-N 472.498 1.949 30 10 JDEE Cn1c(=O)c2nc(Sc3n[nH]c(NN=Cc4cccc(Br)c4)n3)[nH]c2n(C)c1=O 1084524516 ZWAQELJLENSJGW-UHFFFAOYSA-N 476.320 1.438 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1286383847 ONMJRLFNSVKPDX-HKUYNNGSSA-N 492.623 1.402 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1F 1286468121 ZEDYURKMTYLDCM-IBGZPJMESA-N 465.551 1.193 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C2(CCC2)C1 1286508348 HRHHLIWFDOHNCC-ROUUACIJSA-N 467.661 1.994 30 10 JDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1286529978 BUWXSLYXAPVYJL-CQSZACIVSA-N 451.369 1.918 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](COC(C)C)C1 1286546231 HQSFEPZHBAONBW-YRXWBPOGSA-N 471.624 1.500 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)NC)CC1 1286563023 IGRFPMPEKDFLTC-APWZRJJASA-N 473.603 1.712 30 10 JDEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)N1CCOCC1)c1ccccc1 1286679495 QGUBKJGNWGHVQM-UXHICEINSA-N 452.559 1.884 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1286812160 JUCVTKDLMVDGKR-FQEVSTJZSA-N 472.571 1.546 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1286822353 IXJPOXZTMSPGLB-QGZVFWFLSA-N 480.660 1.976 30 10 JDEE C=CCSCCn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OCC)CCOC1 1286834439 FJJCFNNKVWMUJL-WOJBJXKFSA-N 456.634 1.864 30 10 JDEE Cc1nc(CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)n[nH]1 1290446933 BWFUETHEUMPMEW-INIZCTEOSA-N 455.910 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467.397 1.878 30 10 JDEE C=C(Cl)Cn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539819781 IUYFIYSSMSHQNZ-XMSQKQJNSA-N 467.014 1.814 30 10 JDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539948267 VUSDYQQURGLXJM-FPOVZHCZSA-N 457.623 1.859 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Cl)c(OC)c(OC)c1 1540072227 JZHBRKKBJGVXTN-QGZVFWFLSA-N 485.994 1.952 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1540902691 OKFLTZPERKATET-SJORKVTESA-N 460.622 1.176 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1540903312 BDCHZXGHVKONMU-UZLBHIALSA-N 452.602 1.915 30 10 JDEE COc1cc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)ccc1OCC(N)=O 1543041065 DRYADXRYMZPXHR-OAHLLOKOSA-N 456.886 1.754 30 10 JDEE CN(C[C@@](C)(O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C 1559639776 APFISYZNIKJXDT-OAQYLSRUSA-N 452.577 1.482 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN1CCOCC1(C)C)[C@H]1CCS(=O)(=O)C1 1588034248 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JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CS(C)(=O)=O)CC1 1705620536 WRBSOEUNYSPDQG-SFHVURJKSA-N 494.614 1.784 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2csc(COC)n2)CC1 1705645133 LUVIQKOREHSNFH-HSZRJFAPSA-N 488.614 1.547 30 10 JDEE C=C(Br)Cn1c(CC)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1705687392 BXXZIIPXRWVSFX-UHFFFAOYSA-N 463.384 1.702 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1705929356 PCRWOJIMDCFXIO-LJQANCHMSA-N 480.562 1.717 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C1CC1 1705931599 VAZDQHCRYCVCHG-UHFFFAOYSA-N 452.606 1.746 30 10 JDEE CCN(CCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H](C)C#N)S(C)(=O)=O 1710140452 AIGZWTSQRILXMW-MRXNPFEDSA-N 462.576 1.984 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccnc2OC)C1 1710345809 HPDWINYAJCRTBH-LJQANCHMSA-N 467.555 1.787 30 10 JDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1711397908 HCVGEMVRNKRXHC-MRXNPFEDSA-N 456.514 1.330 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccn2)CC1 1722307850 BIFNSFGECQSTKI-KRWDZBQOSA-N 459.576 1.049 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1722358725 FDJALQAGRIOTPK-VQTJNVASSA-N 472.571 1.964 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1722370957 GASQFMQEECCFAF-OAQYLSRUSA-N 495.609 1.174 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCN(C(C)=O)CC1 1722382494 HSNGVMJUGFLEJX-QFIPXVFZSA-N 497.644 1.630 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC1CC1 1722428197 XILWTGDGXKKGPY-SFHVURJKSA-N 460.579 1.962 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1722433090 LEVUAEBTNNOTPT-RPWUZVMVSA-N 457.575 1.803 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(C)cc(OC)c2)CC1 1722446963 FCZVROWVDWYIJP-HXUWFJFHSA-N 485.610 1.511 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2c(C)noc2C)CC1 1722448817 AJQSAXCATKICCG-UHFFFAOYSA-N 481.582 1.889 30 10 JDEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1722603747 MNDHSCMJNGWYDZ-RBUKOAKNSA-N 453.609 1.769 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(F)cn2)CC1 1722618649 UFXQBSBNHVJBRO-GOSISDBHSA-N 479.582 1.438 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1722655167 GXTWMRKGNVRVMW-QHCPKHFHSA-N 466.567 1.897 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc(OC)ccc1Br 1722697208 JETQUTKOSFCMQX-INIZCTEOSA-N 477.363 1.939 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1722724984 BPQHXIFHMFSQMZ-LJQANCHMSA-N 486.598 1.621 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1722727654 OEOQBOYAJHLHKY-YRNRMSPPSA-N 450.565 1.052 30 10 JDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCSCC2)cc1C 1724397318 FAVKUYVSJXGRTN-IBGZPJMESA-N 455.588 1.925 30 10 JDEE CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)N1CCCC1 1727264957 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C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1748978523 KYIWJNBJQFYUAE-JPYJTQIMSA-N 462.595 1.599 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@]2(O)CCO[C@H]2C)CC1 1749011152 WJJZERXQKMXIJJ-XDHUDOTRSA-N 453.543 1.459 30 10 JDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1)c1ccccc1 1749242131 CRUYWUQUYTZQCA-IFMALSPDSA-N 487.674 1.818 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N(C)C2CCCCC2)CC1 1749343028 VPINNHIVESIXDN-FQEVSTJZSA-N 494.662 1.805 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1749660928 WGZXBABOCLRXEA-RUZDIDTESA-N 484.601 1.956 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1749663993 VAZWEHANCKCMES-UHFFFAOYSA-N 464.505 1.529 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1749669028 BRYWYOBQGSARGA-GOSISDBHSA-N 469.521 1.069 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1749732169 RFCAVJZBWHUDHA-GOSISDBHSA-N 474.587 1.130 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1749733745 BFALPSQTYWEFTH-MRXNPFEDSA-N 467.542 1.988 30 10 JDEE CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1750008341 GKLDSMGOFLOKFC-UHFFFAOYSA-N 460.560 1.126 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1760144999 GEKQLZKKRIEVMD-OAHLLOKOSA-N 451.622 1.702 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1cnn(CCOC)c1)[C@H]1CCS(=O)(=O)C1 1760184493 JBIOSYGAKPDXNQ-IBGZPJMESA-N 484.582 1.472 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1760190701 UNKQKSQHKZOFSW-IEBWSBKVSA-N 462.645 1.602 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1760192918 ZQLTXVOKUVWRLP-TUNNFDKTSA-N 488.610 1.578 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCCCC1 1760219462 FPQUSNNPTAJVOQ-FQEVSTJZSA-N 476.647 1.338 30 10 JDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)N1CCOCC1 1760226598 WELPQBFWORZKKT-QGZVFWFLSA-N 459.620 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C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(N(C)C)CCSC1 1748842649 QMTWEAWOSSFZRH-DEOSSOPVSA-N 461.595 1.702 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCN2CCN(C(C)=O)CC2)CC1 1749016697 LAUOELRTZFJAJK-UHFFFAOYSA-N 495.603 1.138 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCn2cnnn2)CC1 1749019014 IGEVKTPCCKCYIX-UHFFFAOYSA-N 479.614 1.921 30 10 JDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749452367 XEOAHFSQTLPTEJ-UGKGYDQZSA-N 453.591 1.922 30 10 JDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1749615901 CDIDBGZEQNOTRC-CQSZACIVSA-N 454.622 1.992 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1749677590 DXPQMIKLSCQMLI-UHFFFAOYSA-N 494.575 1.934 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@]2(CC=CCC2)C1 1749725689 UQRJTYCAKWHKCL-PXNSSMCTSA-N 471.649 1.816 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1749733742 BDZYKINQPGJVLR-GOSISDBHSA-N 453.609 1.466 30 10 JDEE Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCNS(C)(=O)=O)c1 1751447343 GEYIDZWXSGDYMD-QGZVFWFLSA-N 462.576 1.567 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNS(=O)(=O)c1ccccc1 1760100208 SDAMHVVDJKAUSU-XMSQKQJNSA-N 461.588 1.755 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC2(N(C)C)CCC2)c1 1760127778 LZVKNMYTAGULBL-UHFFFAOYSA-N 463.586 1.941 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1760196929 NGOPRHVWMQYCKL-SFTDATJTSA-N 498.653 1.768 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)c(Cl)c2)CC1 1760262129 UXDXVLJDHIRBRX-INIZCTEOSA-N 451.955 1.776 30 10 JDEE C=C(C)COCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760361026 DTXGAEGNJDDCJS-KRWDZBQOSA-N 491.017 1.964 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)CN(C)C)CC1 1760402774 UFPMJVYBOJYHGI-SFHVURJKSA-N 454.641 1.601 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCc2cccs2)CC1 1760510292 POXPVFCBZZBCGJ-GOSISDBHSA-N 466.633 1.223 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1760515511 WJVFSBWPVWLKRD-IBGZPJMESA-N 477.525 1.814 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(NC(=O)OC)c2)C1 1760534893 IJEHTKPVMWRFGB-QAPCUYQASA-N 478.575 1.896 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1760555087 WGXOEVKTOWOIAL-OKZBNKHCSA-N 456.634 1.798 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(C)c2)CC1 1760557323 HTNDVTDBSXQUCV-UHFFFAOYSA-N 472.615 1.636 30 10 JDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N2CCSCC2)CCO1 1763081342 FNVBPJSHIXXPQA-MRXNPFEDSA-N 462.601 1.420 30 10 JDEE CNC(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1769319684 HCGPJQDHZKGSNZ-QGZVFWFLSA-N 495.563 1.934 30 10 JDEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)CCN(C)CC1 1771408159 GKJAATMJBMTKCS-UHFFFAOYSA-N 483.642 1.939 30 10 JDEE CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CC(=O)O)C2=O)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867650352 WKHYDDAOPBEYTO-WOJBJXKFSA-N 476.489 1.955 30 10 JDEE COc1cc(C(=O)NCC(=O)Nc2c(C#N)nnn2-c2cccc(N(C)C)c2)cc(OC)c1OC 1870140571 YKOGXTPOYFCYMG-UHFFFAOYSA-N 479.497 1.599 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)COc2cn(C[C@@H](C)O)c(CSCCO)cc2=O)nc1C 1870226860 ROABRWIYQVKWTH-CYBMUJFWSA-N 497.595 1.580 30 10 JDEE CC1(C)OB(c2cncc(S(=O)(=O)NCCNC(=O)OCc3ccccc3)c2)OC1(C)C 2243438044 GMZSQNPGCSDXCC-UHFFFAOYSA-N 461.349 1.586 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H](CO)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2267464428 HVYGMVLMZZFLFT-ZDUSSCGKSA-N 490.815 1.803 30 10 JDEE CC(C)(C)OC(=O)N1CC(C[S@@](C)(=O)=NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267524844 VZUSLKYUQCBCOR-JGCGQSQUSA-N 468.385 1.814 30 10 JDEE CN1CCN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](CNC(=O)C(F)(F)F)C1 2267553030 XEWKDMIGGROJFU-ZDUSSCGKSA-N 461.315 1.482 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)=C[C@H]1O 2268715907 SKRWTJZORTUFJY-UONOGXRCSA-N 465.381 1.643 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H]2OCCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@H]2C1 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CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283933175 MZQZEUUFTHFUEY-CQSZACIVSA-N 479.408 1.701 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2ccccc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2284059266 FRBCXWDJHPPEOJ-GAJHUEQPSA-N 462.352 1.657 30 10 JDEE COC(=O)[C@H](CS(=O)(=O)N(C)[C@@H](CC#N)C(F)(F)F)NC(=O)OCc1ccccc1 2286049705 WTJWKWPSPBBPJB-KBPBESRZSA-N 451.423 1.561 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@@H]1C(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2357337376 SJYKAOQQKBIVBL-WSRNIBOVSA-N 466.384 1.802 30 10 JDEE CC(=NNc1nc2c(c(=O)nc(O)n2C)n1C[C@H](O)COC(C)C)c1ccc([N+](=O)[O-])cc1 254477926 ZYNJRGMSYHBVKT-HNNXBMFYSA-N 459.463 1.366 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N(CCCC)[C@H]3CCS(=O)(=O)C3)cc2C1=O 757741299 ZGYGTPSGPCLUHN-INIZCTEOSA-N 462.524 1.441 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)N(C)CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2C1=O 919755282 MDWLDRCOVZRCRV-UHFFFAOYSA-N 470.526 1.620 30 10 JDEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)Nc3ccccc3C(=O)OC)n2N)cc1 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C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1286778436 DQBNOZLTBWIVGW-UHFFFAOYSA-N 453.503 1.894 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1286782179 MYOVKMYOYZPHMG-SFHVURJKSA-N 486.642 1.961 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1286784587 MSQVRQQBVPPWJU-UHFFFAOYSA-N 478.557 1.690 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1286793133 SWMFNEPMJKWHRR-KOSHJBKYSA-N 492.621 1.926 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)N2CCCCC2)C1 1286799860 BAEJNQOMSOWRPS-QZTJIDSGSA-N 454.641 1.934 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=O)NCC(F)F)C1 1286804529 KXSLHRYLQNVRSD-INIZCTEOSA-N 459.461 1.083 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1286819133 BFSFVZIJECIKBO-OAQYLSRUSA-N 487.674 1.854 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1286822641 MJKIGGOVTRRTGR-UHFFFAOYSA-N 492.690 1.746 30 10 JDEE CN(C)[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CCSC1 1298049368 AULZJKYFWUCQQJ-WZONZLPQSA-N 469.615 1.868 30 10 JDEE C#CCCCCn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300376438 KMSHDWBTMXHVBW-RUZDIDTESA-N 481.601 1.943 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCNC(=O)c1occc1C)[C@@H]1CCS(=O)(=O)C1 1300493929 XFQZNGVMWCLFKU-LJQANCHMSA-N 496.593 1.997 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cccc(OCC(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1300501387 LICSAAUMYPVQOA-HXUWFJFHSA-N 485.610 1.550 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1300502403 SXZVPADQJYSVHK-HXUWFJFHSA-N 482.614 1.276 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1300505117 XWYNDBVUECXJPP-DVECYGJZSA-N 485.610 1.525 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCn2cncn2)CC1 1300719196 RBAPYEAKSRDRPS-UHFFFAOYSA-N 464.530 1.220 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(=O)N(C)C)c1 1300806130 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C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H]1CCCS1 1303860490 AWMMLJXIUJPVDS-AEFFLSMTSA-N 475.644 1.982 30 10 JDEE CC[C@@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1305618939 IDLFQXVWWIHSLX-MJGOQNOKSA-N 452.563 1.673 30 10 JDEE C#CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1358964186 VDPZSSMDRPKXQM-GOSISDBHSA-N 495.646 1.790 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1358965697 ZLTXDMDDDZTRNK-HXUWFJFHSA-N 465.583 1.400 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1359036307 SRCDCDNEQSIVTG-UXHICEINSA-N 450.653 1.302 30 10 JDEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359060232 OEBYOCZDNPSAQO-UHFFFAOYSA-N 482.610 1.959 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1359092302 ZGKGODDALUXKRX-OHHNFCFSSA-N 469.608 1.254 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(F)(F)F)CC1 1359227569 FKNFVMMNKAAAFW-MRXNPFEDSA-N 465.542 1.847 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](OC)C(C)(C)C1 1359228012 RJCDLCAVTHAIIB-DLBZAZTESA-N 457.597 1.065 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCS(=O)(=O)C1 1359258904 GUHIGROSYYMPEL-MOPGFXCFSA-N 464.613 1.808 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1359293173 JKBUTDKQKCFNQG-STQMWFEESA-N 487.424 1.606 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1359298500 BVASLMCLWUZDRV-GOSISDBHSA-N 466.546 1.322 30 10 JDEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)[C@H](C)C1=O 1360031393 GNXGMPIEOWARKG-GOSISDBHSA-N 467.574 1.900 30 10 JDEE C=CCN(C)C(=O)C1CCN(S(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)CC1 1435960587 FNQQJEKQBRSWIZ-UHFFFAOYSA-N 458.558 1.675 30 10 JDEE C=C(C)Cn1c(SCC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)nnc1-c1ccco1 1441303455 BFGPGYVZHMIKGD-OAHLLOKOSA-N 453.590 1.994 30 10 JDEE COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3C#N)CC2)cc1 1474765033 DRFZISNRSFTAFZ-UHFFFAOYSA-N 455.945 1.915 30 10 JDEE CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1503260098 BIXVQCFEGSKUEP-OALUTQOASA-N 493.611 1.064 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1507628878 IWPAERHMBMGVNW-GOSISDBHSA-N 492.623 1.459 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1507634572 ZEMJHPJPGNZKGA-GUDVDZBRSA-N 474.583 1.885 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2c[nH]c3ccc(F)cc23)CC1 1507722311 UJNVNIQDLYDRHB-MRXNPFEDSA-N 473.578 1.507 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)(F)C1 1507751476 OPCCJHZXONSYOH-OAHLLOKOSA-N 463.576 1.459 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1508093917 DVJITQBYYJPWMB-VWLOTQADSA-N 479.585 1.860 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1508114841 MOXAFXFBYZMBBS-WOIUINJBSA-N 483.635 1.382 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1508143794 NZLFBZCCCCLXKZ-UHFFFAOYSA-N 487.508 1.237 30 10 JDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1515282961 CUCIXKXNXWIYBP-UHFFFAOYSA-N 455.526 1.888 30 10 JDEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1516945011 BCXDRLLLURLRRV-NHCUHLMSSA-N 499.641 1.383 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1539014222 LKZMUJNARUROTA-ULQDDVLXSA-N 484.623 1.230 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539202879 LTFYXGBFDUNCJP-RADWXHQJSA-N 465.620 1.374 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1539207018 YTKOWROCKXEUIB-JTAQYXEDSA-N 479.647 1.289 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1539231643 WLPOTPIRCBJCBM-SFHVURJKSA-N 488.639 1.158 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cnn(C)c1 1539517188 JQWMSJLOHBFOED-ZWKOTPCHSA-N 479.632 1.052 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCN1CCOC(C)(C)C1 1539646290 SUBKPLIIHIIWHD-SIKLNZKXSA-N 460.623 1.929 30 10 JDEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CC)CCS(C)(=O)=O 1539685957 ATJSRSYGRMHILO-UHFFFAOYSA-N 454.622 1.994 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(CCOC)C(=O)C1 1540865177 XKOJRYLGWBDIIP-UHFFFAOYSA-N 472.615 1.873 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](C(=O)OC)C1 1540903387 CPRMXPJHERIJNX-KRWDZBQOSA-N 472.571 1.507 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1540916442 BHUKSFDESUIYPR-KKUMJFAQSA-N 499.581 1.686 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1 1555545065 BEZGYKCTLMFXOA-JOCHJYFZSA-N 494.644 1.780 30 10 JDEE C=C(C)CN1CCC(NC(=O)CNC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 1558929099 HOUCLIHLZKOWJA-UHFFFAOYSA-N 450.605 1.604 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1588069201 JIZVVKXHXUPLFV-FQEVSTJZSA-N 469.611 1.887 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)C(F)(F)F)CC1 1588891578 RDVGFCLNNXFELQ-CYBMUJFWSA-N 478.541 1.443 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(=O)NC(C)C)CC1 1588923534 CPNRKRXSFJTTLZ-UHFFFAOYSA-N 476.541 1.084 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCOCC2)CC1 1588946357 CVLMDSTVGBYVJT-UHFFFAOYSA-N 486.567 1.835 30 10 JDEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(OCC(N)=O)CC1 1594473096 MPWADONRYYNABW-UHFFFAOYSA-N 465.562 1.994 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1595516216 BJVUVHBAFNYKLA-HXUWFJFHSA-N 462.558 1.701 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 1595536993 KUJLXAOKTBUZLI-YJBOKZPZSA-N 467.530 1.685 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C4CN(C(=O)OC(C)(C)C)C4)CC3)cc2C1=O 1607393968 CIFFRTWBVVLJIO-UHFFFAOYSA-N 454.527 1.846 30 10 JDEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1613106781 AAMCXVWJWKEOTF-UUOWRZLLSA-N 453.591 1.824 30 10 JDEE C[C@@H]1[C@@H]2O[C@@H]2[C@@H]2C[C@@H]3[C@@H]4CC=CC(=O)NCC[C@H](O)[C@H]5NC(O)=C(C(=O)C=C[C@@H]4CC[C@H]3[C@H]12)C5=O 1616183720 FDWNTCRVFCCYKL-INGAZKCPSA-N 482.577 1.561 30 10 JDEE biogenic C#CCNC(=O)CN1CCCN(C(=O)c2cc(C)nc3c2cnn3Cc2ccc(C)cc2)CC1 1627014926 GPLQSDXSMSAAHU-UHFFFAOYSA-N 458.566 1.994 30 10 JDEE C#CCN(CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1)C(=O)OC(C)(C)C 1627187038 UUDWGSIEJXKOAV-KRWDZBQOSA-N 451.545 1.641 30 10 JDEE N#Cc1ccc(OC2CCC(NC(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)nc1 1630884011 FBPWSRIFASYFGN-CBNMVNINSA-N 455.559 1.473 30 10 JDEE CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H](S(=O)(=O)N(C)CCOC)C2)c1 1677671146 HSFUDSKCUBAFCC-UYAOXDASSA-N 452.577 1.950 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1689835940 VJACZUDEYMVCBM-NQIIRXRSSA-N 486.642 1.749 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1689912835 BMZZBBUKCMQUNY-OAHLLOKOSA-N 457.560 1.977 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689982196 JFVSPIUYDYUUAC-COPCDDAFSA-N 466.604 1.372 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 1689989784 IWPMZIDTMLYVIC-DOTOQJQBSA-N 484.550 1.133 30 10 JDEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1689991069 VFVVHZBRJMWHCG-WOJBJXKFSA-N 487.630 1.504 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCc2cnn(C)n2)CC1 1690117456 IJNUBUUHVAJEFT-UHFFFAOYSA-N 450.547 1.479 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCSCC2)CC1 1690132043 FGPMRBBDOMHAGW-UHFFFAOYSA-N 459.645 1.074 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCOc2ncccc2F)CC1 1690146409 NBBJAKHFWMRMSX-SFHVURJKSA-N 456.522 1.751 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCc2nnc(C)s2)CC1 1690152244 DHCBQCRWEYFHLU-UHFFFAOYSA-N 481.630 1.898 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CC1(O)CCS(=O)(=O)CC1 1690188781 OYVTYGSZEJFBEU-HXUWFJFHSA-N 451.593 1.128 30 10 JDEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690319577 RHZWAUMQQAHQSB-UHFFFAOYSA-N 488.564 1.762 30 10 JDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1690467489 YSLPJDMONNMVQC-TZIWHRDSSA-N 457.623 1.746 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1690663317 SDKRXGODLGGSOI-UHFFFAOYSA-N 471.587 1.417 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CCCO)CC1 1690672659 ZFMNPCFMUWVCHI-LJQANCHMSA-N 492.621 1.878 30 10 JDEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1691206434 GLZNBTRFOGFBPJ-UHFFFAOYSA-N 453.547 1.592 30 10 JDEE CCc1nn(C)c(OC)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1694612405 BRUPQNYHTVYMCB-UHFFFAOYSA-N 493.572 1.543 30 10 JDEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@]1(O)CCS(=O)(=O)C1 1697275766 CXDWYGDKFZCJQH-BFUOFWGJSA-N 453.952 1.895 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1705526251 HRJNVGOWLLEDIB-KRWDZBQOSA-N 458.588 1.666 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1705560652 MITVHZRSEQWZGW-APWZRJJASA-N 489.573 1.710 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705562501 DJEGHVRRXMHWRL-CVEARBPZSA-N 476.990 1.535 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCCN1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 1705564758 PWMDVAINNCVBGD-GOSISDBHSA-N 475.590 1.558 30 10 JDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705566830 QWQMYQPEAJAXPD-QKLQHJQFSA-N 459.572 1.367 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1705568044 GCYDWTMXCJGFHI-UXHICEINSA-N 487.626 1.977 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CCN(C(C)=O)CC2)CC1 1705642842 JFLGFTQJUJVDLF-UHFFFAOYSA-N 479.629 1.393 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2NC(=O)CC2(C)C)CC1 1705650203 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1722371937 NHIRHIMNFFNPRA-MRXNPFEDSA-N 490.536 1.358 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCO[C@@H]2CCOC2)CC1 1722440580 KHNVZYCEZFGNEL-GOSISDBHSA-N 458.588 1.220 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CC(F)(F)CO2)CC1 1722444050 SXNVHGNGUCPQKV-UTKZUKDTSA-N 467.517 1.320 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1722445287 OMEJCGJFDPRMLE-VXKWHMMOSA-N 462.554 1.834 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCOC2)C1 1722588776 ZKKFVTPEBXJFCG-UTKZUKDTSA-N 453.609 1.830 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCS(=O)(=O)N(C)C)C1 1722723085 VYUDBRAWXLGWMS-HNNXBMFYSA-N 455.531 1.820 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](CC)O[C@H](C)C1 1722728830 ZGTRVMUAWVUNIC-SJORKVTESA-N 486.598 1.797 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722733620 ZETLEACVTKBFQV-JKSUJKDBSA-N 462.576 1.168 30 10 JDEE CC(C)COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CC1 1723478877 GSUMEXGNHMCCER-UHFFFAOYSA-N 489.602 1.623 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCC(=O)N(C)C 1723924153 CFYDFWQDLMUOID-INIZCTEOSA-N 471.587 1.532 30 10 JDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1729618398 AENTWCMYVDQLNV-HOYKHHGWSA-N 483.642 1.843 30 10 JDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1730995838 BODIJCXEOJLDTA-IEBWSBKVSA-N 492.627 1.112 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCS(C)(=O)=O 1740550588 QWUBKOUJGNJCCU-HOTGVXAUSA-N 455.581 1.479 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1740615421 DJAZYKBEMJRNHQ-RBUKOAKNSA-N 451.637 1.559 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1740624006 BYVSLRHILZOJPO-QGZVFWFLSA-N 478.644 1.423 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCSCC2)cc1 1740630032 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C=CCS(=O)(=O)CCn1c(N2C[C@@H](O)CC3(CCCC3)C2)nnc1[C@]1(OCC)CCOC1 1740994418 RAYNGSHEJFAUHE-AVRDEDQJSA-N 468.620 1.662 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cccn2)CCO1 1741110241 CQEQBZRGWOERTP-NRFANRHFSA-N 464.530 1.357 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)N1CCN(c2ccccc2)CC1 1748690741 WUGWOIOHAIIBDG-JTAQYXEDSA-N 466.586 1.809 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CCCN1CCN(c2ccncc2)CC1)[C@H]1CCS(=O)(=O)C1 1748801525 BTRQXKXIKDJJLS-QFIPXVFZSA-N 499.685 1.810 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1748812329 SQFUWQGNQQKQRJ-HXUWFJFHSA-N 468.583 1.947 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1748820360 AHUPDAIEOHZUGG-AVRDEDQJSA-N 476.624 1.394 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1748843063 ZGNAVNFWZHUDBZ-KRWDZBQOSA-N 464.551 1.090 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCS(=O)(=O)CC2CC2)CC1 1748984596 ODFYHNLMHOMELB-UHFFFAOYSA-N 473.599 1.542 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1749003766 VBRZAOUWEPYKEE-CJAUYULYSA-N 499.637 1.866 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)N2CCCCC2)CC1 1749009605 UERXCVDAWZLLAR-UHFFFAOYSA-N 452.563 1.047 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1749175990 VRYQOQCLLMUFDV-MRXNPFEDSA-N 467.617 1.690 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccsc1)C1CC1 1749520054 XYPDJBABLCZTOX-PXNSSMCTSA-N 467.617 1.735 30 10 JDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC 1749752040 HLODGWLCQHOGOF-OAHLLOKOSA-N 455.588 1.930 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1760097678 INNLKXRXQGJJQB-YQVWRLOYSA-N 461.588 1.871 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNS(=O)(=O)c1ccccc1 1760100205 SDAMHVVDJKAUSU-AVRDEDQJSA-N 461.588 1.755 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1760184320 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484.601 1.795 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ncc(CC)s2)CC1 1286486120 IYQOEHZARJJIHG-UHFFFAOYSA-N 457.604 1.644 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(CO)c2)CC1 1286493982 IGGBIOZGAQPXOV-VXKWHMMOSA-N 467.570 1.509 30 10 JDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCNC(=O)C(C)C 1286534755 CPWDGYOKPLMJBX-GFCCVEGCSA-N 451.391 1.005 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)F)CC1 1286548898 UPKNWEQPBISISD-INMHGKMJSA-N 462.567 1.257 30 10 JDEE C=C(Cl)Cn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286635077 JMIKYYNFXLEDBK-OAQYLSRUSA-N 468.986 1.244 30 10 JDEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1286638979 SOFPCXLBTMSJJB-WIYYLYMNSA-N 453.609 1.899 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCn2cc(C)nc21 1286772472 DYBJSQHDFNPLFQ-RTBURBONSA-N 493.634 1.332 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C(=O)NC)CC1 1286779320 GLLRAXKOOYYKJV-UHFFFAOYSA-N 480.342 1.610 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1286780983 TZSNEXFYTKVBQE-PBHICJAKSA-N 482.994 1.422 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1286787608 XHFAHJDUWHZQQI-UHFFFAOYSA-N 464.574 1.620 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCOC1 1286831564 IJTSIFSBTFEPDG-IAGOWNOFSA-N 459.638 1.393 30 10 JDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N1CCOCC1 1300430966 QZJQQLYIMXWTKJ-CVEARBPZSA-N 452.606 1.093 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300489176 JXGCELITKVKREQ-UFYCRDLUSA-N 475.615 1.973 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1300499751 WJKBECAZONCRGI-MRXNPFEDSA-N 450.362 1.799 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(NC(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1300506018 LLTHIMNATYLBMY-WOJBJXKFSA-N 486.598 1.898 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(-c3ccsc3)nc2)CC1 1300683991 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C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)C(F)(F)F)C1 1508128417 XPIQKOLWKOOXKT-HUUCEWRRSA-N 481.541 1.981 30 10 JDEE CN(C)C(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)CCCC1 1516948009 HWYMJJMZIKPYBQ-UHFFFAOYSA-N 479.585 1.760 30 10 JDEE CS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1519522281 AEFHZVGHOAJHGS-INIZCTEOSA-N 464.979 1.678 30 10 JDEE C[C@H]1CN(S(=O)(=O)c2cc(C(=O)NCCn3cnc(C#N)n3)ccc2Cl)C[C@@H](C)O1 1525393506 BJPABXMZQZFSTD-BETUJISGSA-N 452.924 1.031 30 10 JDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1539044571 DIYNWWNJTJXOOX-UHFFFAOYSA-N 476.578 1.870 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1539205433 IOYXCKIBYRGGIA-IPJJNNNSSA-N 466.604 1.516 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1539212895 YSOUOXFFPDLBPX-SFHVURJKSA-N 452.540 1.197 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1539230725 PRHDSGXGGCNHHD-GOSISDBHSA-N 471.539 1.837 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)C(C)(C)C 1539315408 LORKFQFEEHLZHC-UHFFFAOYSA-N 480.594 1.868 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)CCCS2)CC1 1539480918 GPKLRRHWMMZBNK-LAUBAEHRSA-N 465.645 1.432 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)c1nccs1 1539517094 IKPOLEAAKQRUTC-HZPDHXFCSA-N 484.673 1.674 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCN1CCOC(C)(C)C1 1539646286 SUBKPLIIHIIWHD-DENIHFKCSA-N 460.623 1.929 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1539706445 IBBHABPOSPQREW-DLBZAZTESA-N 454.597 1.072 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1539706958 YFAZLVILTHWFDO-IRXDYDNUSA-N 481.648 1.527 30 10 JDEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1540069259 LRVKNRRSGOPKNM-JOCHJYFZSA-N 472.571 1.237 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1540862436 BEWIZTCUXMBHFB-IEBWSBKVSA-N 475.619 1.296 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1540872742 ZITSDXKKXSNEGK-XLIONFOSSA-N 458.994 1.981 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](CNC(C)=O)C1 1540900468 WRXLQZLJHUDEJU-GOSISDBHSA-N 489.598 1.670 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)nnc1C(C)(C)C 1540908832 OUMQJGXWDNGTRO-INIZCTEOSA-N 463.608 1.574 30 10 JDEE CCCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NC(C)C)c2ccccc2c1=O 1547214467 ABLSPEHXIAWJGT-MRXNPFEDSA-N 464.530 1.318 30 10 JDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1548321963 FVURREVHUPUMIN-SFHVURJKSA-N 460.560 1.268 30 10 JDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NC2CCN(c3ccccc3C#N)CC2)[C@H](C)O)cc1 1586691025 GBQHGCVWIXTSMR-HTAPYJJXSA-N 456.568 1.680 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2(S(C)(=O)=O)CCC2)c1 1587683274 GCNLHBVCDDCWJH-UHFFFAOYSA-N 498.609 1.538 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1587706065 MLEFMTDSUANLML-INIZCTEOSA-N 453.613 1.322 30 10 JDEE C#CCN(c1nnc(CC)n1C[C@H](c1ccccc1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588058982 GZDYOQFMRSSZNH-LEWJYISDSA-N 457.600 1.541 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(OC(C)C)nc2)CC1 1588876738 HJDZZWWRVWBBJW-UNMCSNQZSA-N 454.575 1.988 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(CO)c2)CC1 1588891832 UJXNWSJFGFQCJE-VWLOTQADSA-N 467.570 1.437 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCNS(=O)(=O)CC)CC1 1588946549 DQCHDHOQSCXEBB-UHFFFAOYSA-N 452.625 1.162 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1nncn1C 1595650100 WZFFRCSVVWCHLY-SJLPKXTDSA-N 486.602 1.971 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1595784019 AEMDXUSPWDLTET-QGZVFWFLSA-N 484.586 1.339 30 10 JDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CN(Cc2ccccc2)CCCO1 1616271812 DQWFQUDCHGYGEY-IBGZPJMESA-N 456.568 1.523 30 10 JDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 1618335812 GZHOZGVBZWNWEI-KGVIQGDOSA-N 456.568 1.631 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C)c1 1624947207 RUXJIDUJGMBCFM-INIZCTEOSA-N 450.557 1.792 30 10 JDEE C=CCn1c(S)nc2cc(C(=O)NC3C[C@@H]4CC[C@H](C3)N4CC(=O)N(C)C)ccc2c1=O 1634992627 BUSDGWBOSXWJEW-ALOPSCKCSA-N 455.584 1.685 30 10 JDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 1640516205 DYLMAQPCRUWVEB-GFCCVEGCSA-N 454.505 1.253 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)CC1 1643372493 NYWAZPWBERLMMF-UHFFFAOYSA-N 457.343 1.108 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C#N)o3)C2)CC1 1660924931 BKMSCBCIQLFOQP-OAHLLOKOSA-N 452.533 1.631 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1689982004 GDEMVSWKBKNXTI-CVDCTZTESA-N 480.631 1.905 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1689988202 KUUZAVDWGZFMLY-NSHGMRRFSA-N 459.572 1.327 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNS(=O)(=O)CC 1690075515 NAVLCIGLMHOJMR-KRWDZBQOSA-N 468.624 1.791 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1690130302 DSEUYSCDVBGKPA-UHFFFAOYSA-N 467.549 1.033 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)cc2)CC1 1690136582 HLCDFWQOUKSHDR-HNNXBMFYSA-N 479.006 1.556 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(OC)CCOC2)CC1 1690152313 HCOUKFQHKMJBBQ-DEOSSOPVSA-N 471.533 1.768 30 10 JDEE C#CCSCCn1c(N2CCCN(Cc3cnn(C)c3)CC2)nnc1[C@]1(OCC)CCOC1 1690186634 SCYWGZFCUALTCH-QHCPKHFHSA-N 473.647 1.742 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCCC1 1690596835 BLVNKRCNSLJYEA-GOSISDBHSA-N 453.609 1.875 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1690644490 OOKSRVPGGFNIFW-FQEVSTJZSA-N 472.571 1.716 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1690677778 ACVIVHXNCZHWJQ-JFIYKMOQSA-N 459.551 1.768 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690718071 ZVSYMUZEZSCWOP-GOSISDBHSA-N 488.570 1.027 30 10 JDEE COc1ccc(OCc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCC(=O)N(C)C)cc1 1697487908 HVXRJWOWBHUTFC-UHFFFAOYSA-N 490.568 1.937 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1705566956 SELBLRIXQBLDOB-SFTDATJTSA-N 468.583 1.563 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1705570191 LAQBPUSFXDJREQ-FQEVSTJZSA-N 455.584 1.330 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cc(OC)ccc1OC 1705583412 XPKUXIGLHMTQDJ-IBGZPJMESA-N 456.568 1.903 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2c(C)cccc2C)CC1 1705647808 LSFLPBJHFQQYPZ-HXUWFJFHSA-N 464.570 1.891 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC[S@@](=O)CC)CC1 1705648361 RZJHJLOGWUTZGL-KGMZSHBCSA-N 471.583 1.525 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1705709135 LIJQTNFIMAZOMT-PXNSSMCTSA-N 480.591 1.436 30 10 JDEE C=C(C)COCCn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705740092 BEOCSOSBIJDROW-YADARESESA-N 490.605 1.678 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705896178 DNYSBKYQVZWIHU-KRWDZBQOSA-N 476.603 1.364 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1705898844 ZNPIHBMAQJMIIE-UHFFFAOYSA-N 498.584 1.340 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 1705900652 LFCGWFCFMBBELZ-QGZVFWFLSA-N 450.547 1.637 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](C(=O)OC)C2)cc1 1705911185 ASIGIJJXXMJEBY-MSOLQXFVSA-N 460.556 1.793 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1705937141 JZVXBHAKDGDXCC-SFHVURJKSA-N 457.560 1.940 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(c2ccncc2)CC1 1722296003 MTYAQUKMACDVRL-GHTZIAJQSA-N 487.630 1.381 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1722360746 VUCKBRWPEGOTKL-MOPGFXCFSA-N 490.582 1.395 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(NC(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1722369373 YKDIITQJLYZBAC-OALUTQOASA-N 472.571 1.685 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1722370509 BYDYZMKEMVBUFT-IBGZPJMESA-N 487.582 1.635 30 10 JDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1722391527 OYNPQFROFFMPES-NQIIRXRSSA-N 469.508 1.656 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN2CCCCCC2=O)CC1 1722433342 RPMBCMRJSOWAPZ-XMMPIXPASA-N 458.607 1.478 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)N(C)C2CC2)CC1 1722443507 KNICEWNNIXIZBY-HOYKHHGWSA-N 458.607 1.379 30 10 JDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1722459482 KXDWVXYXMIIWMT-QGZVFWFLSA-N 455.650 1.837 30 10 JDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCN(S(C)(=O)=O)CC1 1722530543 WGKWEWVNKWXBNU-UHFFFAOYSA-N 477.587 1.781 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722588728 YRRKAYOGODWWHI-QGZVFWFLSA-N 473.665 1.548 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1722685678 JRHMXBSISCQNPP-INIZCTEOSA-N 480.616 1.129 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnn(CC)c1 1722699288 UAXHOFFBTWACMB-GOSISDBHSA-N 488.593 1.742 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1722701759 CKJJANJYBGKZPC-UHFFFAOYSA-N 463.542 1.480 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1722724855 ICYKPJDTDONACN-FQEVSTJZSA-N 495.646 1.669 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1722726558 GMCXGMNIVJVQSG-GOSISDBHSA-N 492.577 1.304 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN2CCOC[C@@H]2C1 1722729727 VKBKYCXQXBONFQ-INIZCTEOSA-N 467.542 1.269 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1722749680 ISLINTRKPJNTGE-HDICACEKSA-N 451.593 1.993 30 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487.586 1.142 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC)CC1 1740751492 KYWIOVKSHLWRPZ-SJLPKXTDSA-N 455.519 1.795 30 10 JDEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS(=O)CC1 1740791592 MDEVWECEGRKQSS-UHFFFAOYSA-N 452.606 1.400 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1740962034 PUGPDPWPJMLKRE-NRFANRHFSA-N 452.607 1.171 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2)C1 1740986712 FPBLMXAPSJEYHX-AEFFLSMTSA-N 483.616 1.067 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccn1 1741130957 COJIHLRFLKCEEB-IAGOWNOFSA-N 461.592 1.580 30 10 JDEE CC(C)CN1CCO[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)C1 1741570820 HGJDKQBLNHDKDZ-RTWAWAEBSA-N 451.575 1.875 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](OC)C2CC2)c1 1748692384 GKUUIHTYKLYYCL-ICSRJNTNSA-N 471.583 1.661 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@]2(O)CCN(C)C2)c1 1748692778 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C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1760450492 LYZNPYATCNLIGG-UTKZUKDTSA-N 454.593 1.547 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1C[C@]1(O)CCS(=O)(=O)C1 1760480123 LVYMSXSJRNVSCD-XMMPIXPASA-N 478.578 1.878 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1760510185 JETOVOZEJKAMSP-KURKYZTESA-N 498.650 1.927 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1760527816 JUBVJMBNIZRBIW-GAJHUEQPSA-N 457.531 1.552 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1760554789 MRKFAACYZQZMNF-DOTOQJQBSA-N 482.632 1.028 30 10 JDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCNC(=O)c1ccccc1F 1764909106 FATDSMQOCMFOIL-UHFFFAOYSA-N 465.537 1.650 30 10 JDEE COC1CCN(C2(Cn3c([C@H](C)NS(C)(=O)=O)nnc3N(C)C[C@H](C)C#N)CCCC2)CC1 1769074238 HUNDHXFHWSGNMX-MSOLQXFVSA-N 481.667 1.908 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)c(OC)c1 1772564708 UTDUTAXPCGCNMN-QGZVFWFLSA-N 455.968 1.944 30 10 JDEE C=CCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1861599881 NTMOPNHYRSWPBE-YLJYHZDGSA-N 467.497 1.995 30 10 JDEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(OCCCCC)cc1 1865722462 RVTJEGORYGIJTE-KRWDZBQOSA-N 454.527 1.650 30 10 JDEE C=CCN(CC=C)c1nc(=NCCN(C)C)nc(Nc2ccc(N3CCN(C)CC3)cc2)[nH]1 1871656354 ADRUWGCVEIYRBR-UHFFFAOYSA-N 451.623 1.941 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)N2CCC(C)CC2)nc1C 1872637158 QYBVJYGJYKUNDG-UHFFFAOYSA-N 463.516 1.996 30 10 JDEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C(=O)NCCN(CC)CC)cc3)C2)CC1 1872947843 LJCDTDIYZOASMW-QFIPXVFZSA-N 497.640 1.652 30 10 JDEE C=CCC1(NC(=O)[C@@H]2[C@@H](O)[C@H](O)CCN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2080886172 GPFKTJUCEYGMBS-PMPSAXMXSA-N 455.552 1.399 30 10 JDEE C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC[C@@H](n3cc(-c4cncc(C#N)c4)nn3)C1)C2=O 2087921146 GHFFQVXCPGOTJK-XKPFWTEKSA-N 476.541 1.876 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CO)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 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464.372 1.520 30 10 JDEE COc1ccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)cc1B1OC(C)(C)C(C)(C)O1 2296182536 NSGLLAUIPQNFFL-KDOFPFPSSA-N 464.368 1.885 30 10 JDEE CC1(C)OB(c2sncc2C(=O)N[C@@]2(C(=O)O)CCN(Cc3ccccc3)C2)OC1(C)C 2337394031 HNESIARUTNPJLB-QFIPXVFZSA-N 457.361 1.901 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@@H]12 2337406826 MUYJFLIPYZZRLQ-ZNMIVQPWSA-N 465.381 1.806 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)N(CCCC)c3c(N)n(CCC)c(=O)[nH]c3=O)cc2C1=O 14822985 ZQZXNDRRIBYIFQ-UHFFFAOYSA-N 453.499 1.758 30 10 JDEE NS(=O)(=O)c1ccc(NC(=O)CCSc2nnc(N/N=C/c3cccc([N+](=O)[O-])c3)[nH]2)cc1 20831870 DAQDUCVTKUSKJU-RGVLZGJSSA-N 490.527 1.927 30 10 JDEE C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@@H](O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)[C@H](N)CCC(=O)O 253505085 PMBTXCFVSKWSHR-ZKOCOCFISA-N 491.581 1.525 30 10 JDEE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ncccc4C#N)CC3)CC2)c1 684044157 QQRUMAPOYYECJX-UHFFFAOYSA-N 481.578 1.905 30 10 JDEE 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1.624 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1588059286 LDNDZYZPGSJFDI-IBGZPJMESA-N 456.547 1.725 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1588065353 XICCAEMBCYUKTH-NRFANRHFSA-N 478.578 1.232 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1588075022 VQIMKUYWCQGZEF-INDMIFKZSA-N 466.604 1.239 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1588078857 OFJGHKJXHFPOER-XTQSDGFTSA-N 471.521 1.746 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)OCCO2 1588181555 WYJXSTHNJOYDTE-QGZVFWFLSA-N 457.556 1.365 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1OC 1588385417 HSPRRLIBBJQQSZ-SFHVURJKSA-N 467.979 1.781 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1588628061 DJSCEOQBIPWKEO-XMMPIXPASA-N 463.542 1.239 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(C(=O)NC)c1 1588647664 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C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1594733848 YULKKJZFDXUMJB-WFXMLNOXSA-N 469.608 1.352 30 10 JDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1594896453 YKTLIXUATNPGOV-VZCXRCSSSA-N 485.570 1.344 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)O 1595239687 QDYHAMWAQOAPOB-LJQANCHMSA-N 463.604 1.617 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](NC(=O)CC)C1 1595488836 AYQWVWDFINNYNX-HNNXBMFYSA-N 478.395 1.843 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1595602019 DBSLADKSHIUAHZ-BMFAXAFESA-N 478.594 1.654 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCOCC2(C)C)C1 1595721945 ICPKBHWKVDKVIZ-ZWKOTPCHSA-N 453.609 1.072 30 10 JDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1614978140 BKIYTFKRQJDLLA-UHFFFAOYSA-N 450.547 1.681 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)cc1 1636100170 XNFJVRAPBRCOGQ-QZTJIDSGSA-N 451.545 1.661 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)ccc2OC(F)F)CC1 1636480371 OKTHRYCCJBUAJD-UHFFFAOYSA-N 452.277 1.276 30 10 JDEE C[C@H]1COCCN1CCn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1C(C)(C)C 1649563477 GCMVDCVIVMAWFH-ROUUACIJSA-N 453.595 1.673 30 10 JDEE Cn1cnc(-c2cccc(NC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)c2)n1 1660573695 DUSJGGSVSVIFOP-UHFFFAOYSA-N 451.512 1.892 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)c(OC)c1 1689852760 KFIBHLGPICUUMB-DNVCBOLYSA-N 482.006 1.974 30 10 JDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1689934059 IDZFEPAGQJTGPI-HSZRJFAPSA-N 451.619 1.909 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689992163 IDDFEBHGOJEZKJ-OAQYLSRUSA-N 485.610 1.053 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1689996192 DWBIPBPAMUKSGT-AOMKIAJQSA-N 475.546 1.101 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(N2CCOCC2)CCSC1 1690005955 FTOLPKFCROZXNY-XMMPIXPASA-N 499.662 1.629 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1cnc2ccccc21 1690032734 HYKRVBGPHRRUSG-GOSISDBHSA-N 453.572 1.791 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1690124079 DZWGCXJAAFINBZ-HXUWFJFHSA-N 457.600 1.574 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](CN2CCOCC2)C1 1690231438 BULZMRZEFZTQIB-MRXNPFEDSA-N 453.385 1.468 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1690644621 XMSWMRMQWZWFCU-LJQANCHMSA-N 459.572 1.896 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cccc(F)c1 1690672653 ZBBDSTLOBRHMFY-RBUKOAKNSA-N 492.577 1.394 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690720830 SVGOSEKJNRMTKQ-QFIPXVFZSA-N 472.571 1.360 30 10 JDEE C=CCSCCn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690738602 SEFYKHVABKHBHO-CQSZACIVSA-N 491.415 1.774 30 10 JDEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCSCCCO)C[C@H]2C)CC1 1690864573 URZVTFBNOFCVRG-XXBNENTESA-N 497.669 1.921 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCC(O)CC1 1705491305 BAYVNQDBLJBIRP-LJQANCHMSA-N 452.607 1.757 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1705510662 VRAKWDHMAQHSLE-APWZRJJASA-N 462.624 1.817 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1705524604 PLYFEQMCSHKIAD-ZDUSSCGKSA-N 464.514 1.197 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1705567837 ASVKAISULDBQMO-GOSISDBHSA-N 499.618 1.845 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1CC1CCS(=O)(=O)CC1)[C@H]1CCS(=O)(=O)C1 1705570970 VWHUDTHALPTRTD-IBGZPJMESA-N 468.645 1.462 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1705570990 TZHWIXHQHTUDNX-PGRDOPGGSA-N 462.547 1.440 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccsc1)N(C)C 1705628661 MMQHVRKRGYRXEU-QZTJIDSGSA-N 451.618 1.631 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCC(=O)NC(C)C)CC1 1705647083 ZQUNLCLLSOHCSH-UHFFFAOYSA-N 452.559 1.834 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(NC(=O)COC)CC1 1705659419 VOAJHOHLROZDLE-UHFFFAOYSA-N 495.609 1.290 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1705725762 PUQSBHRJASZOKO-HNNXBMFYSA-N 494.540 1.082 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCNC(=O)CC1 1705898419 LABXNPQRZXZICI-UHFFFAOYSA-N 463.336 1.345 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccco1 1705935981 HLTQFVSNKQZZQY-WBVHZDCISA-N 487.604 1.002 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2)CC1 1705937717 CHZYNARZZROJJW-UHFFFAOYSA-N 458.588 1.328 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1705966020 XIOSHKUZZCGVBO-LINNUKDLSA-N 478.557 1.095 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@]1(N2CCOCC2)CCSC1 1706877736 CTMMHCBIQPULSW-DZFGPLHGSA-N 497.691 1.226 30 10 JDEE COC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCCN(c2ccccc2C#N)CC1)OC 1712155130 CHGQMMWZPVUBBG-HXUWFJFHSA-N 450.547 1.928 30 10 JDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1722337173 VOYVCGNBWJSMIM-IAGOWNOFSA-N 456.551 1.445 30 10 JDEE C#CCN(c1nnc(CC)n1CCCS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722365987 GTTVLWOPGTYQSS-QGZVFWFLSA-N 450.586 1.331 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CCS(=O)(=O)CC1CC1)[C@@H]1CCS(=O)(=O)C1 1722370641 DDGLNVPBCGKXGN-GOSISDBHSA-N 482.653 1.382 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722372566 ZFUGTOJZSBFKNE-AUSIDOKSSA-N 458.584 1.687 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1722375048 JAOFGAAVPCBOJE-LNVKXUELSA-N 460.494 1.562 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1722387946 SIZJXVZRUDPVQD-KRWDZBQOSA-N 452.481 1.240 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](OC)C(F)(F)F 1722476109 YTBMANNLCLMFQF-IIDMSEBBSA-N 479.525 1.571 30 10 JDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722620387 MFLXSUZVKKSTPW-ICSRJNTNSA-N 493.634 1.521 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722624302 ZPGOCFJPRVSWCR-GOSISDBHSA-N 474.587 1.497 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1722698257 COINKAFSGVKURG-INIZCTEOSA-N 479.628 1.849 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1722729413 KCFUAPLYELDDBS-QFIPXVFZSA-N 461.588 1.639 30 10 JDEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)n(C)n1 1725839866 BLEYGUNYTDFBMD-SFHVURJKSA-N 468.587 1.673 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)c(OC)c1 1740550555 IXINBVCONURHNG-XLIONFOSSA-N 461.588 1.629 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CC(F)(F)Br)[C@@H]1CCS(=O)(=O)C1 1740620672 GQLOJVMTPOLVOE-GFCCVEGCSA-N 460.304 1.955 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1740627012 DNNCTRRGHBSQOG-GOSISDBHSA-N 472.546 1.888 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2cccc(C(=O)NC)c2)CC1 1740693266 WBXYJDLPILUAMS-VWLOTQADSA-N 466.586 1.288 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(N(C)C)CCCC2)CC1 1740709851 MKZBVKGVVVCWQY-SFTDATJTSA-N 472.634 1.842 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccco1 1740732272 XMVGCJPDVKMUKH-HBGVWJBISA-N 463.560 1.104 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC2(CC1)COC(=O)N2 1740779003 ZOACRYCPNXTFON-UHFFFAOYSA-N 460.560 1.850 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC(OCC(N)=O)CC1 1740953291 ARDQZQSUOSJWRB-UHFFFAOYSA-N 495.353 1.620 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740955981 KAWGLELPYAYKPS-UHFFFAOYSA-N 476.603 1.506 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCS(C)(=O)=O)C1 1740974336 LFGIZGYLPZVBGF-QGZVFWFLSA-N 483.616 1.021 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740990246 NOAOLFFVGXCMRH-UHFFFAOYSA-N 496.659 1.500 30 10 JDEE CCOC1CC(Cn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@H](C#N)C2)(N2CCOCC2)C1 1746920871 BEHRPLJCMUBYMY-ITGJCUMNSA-N 489.621 1.195 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1748791632 YJEVQXDDJMJKTD-SNVBAGLBSA-N 450.874 1.704 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(C)(C)C)cs1 1748965939 XIKMALUCXNSUGG-INIZCTEOSA-N 496.659 1.499 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)C2CC2)CC1 1749005903 AJUBJJXQXYJNND-UHFFFAOYSA-N 455.950 1.486 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nccs1 1749065983 FKWTWRWAPUBTBA-OXQOHEQNSA-N 464.617 1.692 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1749130628 NIFOKOOPGJTXEZ-AQNXPRMDSA-N 494.662 1.745 30 10 JDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1749459504 LIFNLPPUQYGELL-UHFFFAOYSA-N 450.547 1.586 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1749727455 UXRWEWPEQUYGSA-QGZVFWFLSA-N 496.515 1.922 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCN1CCOCC1 1749734287 IIRJDVVYIIALHU-FQEVSTJZSA-N 477.587 1.160 30 10 JDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1CCS(=O)(=O)CC1 1750647223 IALOKHOFZHBDHB-MRXNPFEDSA-N 458.592 1.603 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760180200 ABVVXCCVTSKTEG-WHLIWEHUSA-N 493.674 1.677 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C)[C@H]1CCS(=O)(=O)C1 1760187830 YAHGUJRKUZDCTO-UFYCRDLUSA-N 491.637 1.449 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C2CC2)c1 1760206441 ZLCBAECWCFCVMI-OAQYLSRUSA-N 453.568 1.610 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccccc1F 1760219736 MAFQOALTAXRGQE-OAQYLSRUSA-N 473.574 1.846 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1760268436 JVZFOMZPSBLAJG-UHFFFAOYSA-N 490.543 1.199 30 10 JDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760284023 FTXSDFDQXQOJBM-SFHVURJKSA-N 480.598 1.776 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C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1507577609 RPNJCDYIFJWEEE-UHFFFAOYSA-N 457.560 1.813 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(=O)C1CCC1 1507617537 VKWFVNGPGJVXTP-SFHVURJKSA-N 460.579 1.962 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(=O)CCC)cc1 1507617641 XNDRKKMJJLHXER-LJQANCHMSA-N 474.587 1.467 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCC(=O)NCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1507634903 OFXYZKANFXRJPX-QFIPXVFZSA-N 492.605 1.597 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1507712529 HHPADIQWHKXNKU-FGTMMUONSA-N 460.579 1.961 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(C)COCCO2)CC1 1507730881 XMAGFUNBOBOIIR-CYFREDJKSA-N 490.605 1.147 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1507738762 XTYPKLDDYNSVLF-DVECYGJZSA-N 484.988 1.756 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(O)cc1 1507772940 OEZMWECJZNULAT-SIKLNZKXSA-N 459.572 1.551 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1507791228 JKTRGVOHYAHIOK-BZSNNMDCSA-N 451.593 1.509 30 10 JDEE C=C(Br)Cn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1507792071 DJVPZCJDSMIGIJ-IBGZPJMESA-N 480.367 1.426 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1507797714 MIRWLMALRNBDCQ-HBMCJLEFSA-N 497.662 1.640 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1507954898 RNVFOXYAJJEBKZ-IAGOWNOFSA-N 465.580 1.653 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(N(C)C)CCSC2)C1 1508124842 MUGWDGPOGVZRMX-MBOZVWFJSA-N 455.650 1.399 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCS(C)(=O)=O)C1 1510290360 GTIFWIGQCIMMEH-XMMPIXPASA-N 485.658 1.817 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1539072468 RSCIXVQFIJYWJB-IRXDYDNUSA-N 492.568 1.487 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 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C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1594720350 KBCVTWSPDZKWCH-INIZCTEOSA-N 471.587 1.676 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1594812587 HSETVAFBYNZCSQ-HCXYKTFWSA-N 469.608 1.065 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccc(F)cc1 1594962608 MRRHBLLBRKHMBH-QZTJIDSGSA-N 453.540 1.760 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1595497267 VSXFMITYDWTZQZ-FUHWJXTLSA-N 458.588 1.324 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1595845176 NNUDWCUTSIHJKK-OAHLLOKOSA-N 484.648 1.809 30 10 JDEE C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 1621895928 BAKPOOYKDANNJH-CQSZACIVSA-N 458.382 1.484 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)[C@]2(COC)CCCCN2C(=O)OC(C)(C)C)CC1 1628146547 KWOVHHXRMIERSK-HSZRJFAPSA-N 450.580 1.076 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC2(C(N)=O)CCOCC2)c1 1689873395 HANLASXPLLAKBD-LJQANCHMSA-N 466.542 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454.531 1.137 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN2CCOC[C@@H]2C1 1690717957 WLLHKLKQTFSNHT-INIZCTEOSA-N 499.435 1.168 30 10 JDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1690742567 USNRMYOHLUGEKL-JKSUJKDBSA-N 453.576 1.525 30 10 JDEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1690947767 HKUGXYYIIDNKTF-FQEVSTJZSA-N 485.614 1.451 30 10 JDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccccn2)CC1 1692564120 BSZZQEQECVSGFZ-UHFFFAOYSA-N 460.542 1.975 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCNC(=O)c3ccccc3F)CC2)c1C#N 1693405536 AWZDIEWIRRXHPC-UHFFFAOYSA-N 451.510 1.396 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCS(=O)(=O)C1 1705478453 BRCFBCJIQUKPCA-GDBMZVCRSA-N 464.617 1.439 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCS(=O)(=O)C1 1705478455 BRCFBCJIQUKPCA-HOCLYGCPSA-N 464.617 1.439 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1705559314 XQQMHLZVKFMCEW-FDDCHVKYSA-N 479.647 1.764 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](N1CCOCC1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705566737 QVSUMNDIRUXQEJ-DOTOQJQBSA-N 486.520 1.163 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1705570174 KWIZJBRYXQWMDO-KNQAVFIVSA-N 479.002 1.955 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCCN(C)S(=O)(=O)CC 1705575451 KVEIEAJBFUTLGP-UHFFFAOYSA-N 481.420 1.791 30 10 JDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC[C@@H]1COCCO1 1705600713 JTNZIUNNXPUQSV-RUZDIDTESA-N 476.625 1.911 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2ccccc12 1705612638 LARPIKBOBQYCGO-HXUWFJFHSA-N 456.572 1.795 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@@]2(C)CN(C)C2=O)n1 1705631814 QXSRHXDMNVUEJF-WZONZLPQSA-N 455.563 1.133 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705722779 ZFBMKKPHDHBIPB-GOSISDBHSA-N 487.586 1.244 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1705896511 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C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)N1CCOCC1 1722384055 MJWOXIRVJPRHFA-FQEVSTJZSA-N 486.617 1.770 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(c3ccccn3)CCC2)CC1 1722444597 LHROGDIAGTZLDT-SFHVURJKSA-N 499.641 1.371 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCC2CCN(CC)CC2)CC1 1722446482 XTXRAJCDOXLIJR-UHFFFAOYSA-N 450.591 1.823 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722519764 RGTVMIJKILRHJJ-UHFFFAOYSA-N 482.632 1.243 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC[C@H](CO)O2)C1 1722718405 JXWKLWHXNOUJCF-WCIQWLHISA-N 493.605 1.908 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1722726486 BEPLCNUBONHBBZ-FQEVSTJZSA-N 483.598 1.223 30 10 JDEE C=CCSCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722737450 HGWQAYUUFGSSPR-PXNSSMCTSA-N 456.620 1.643 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1CC(F)(F)C1 1723616033 DQOYSYMOQCPHEN-AWEZNQCLSA-N 459.505 1.838 30 10 JDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCC[C@H](C)C1 1729068614 ABRZQEPQHSBTRH-OALUTQOASA-N 453.595 1.923 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@@]2(N3CCOCC3)CCSC2)c1 1740561433 FPSIYFYYMVXYJO-QHCPKHFHSA-N 454.600 1.851 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C(C)(C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1740625892 IZZYYSGLEVLMLF-UYAOXDASSA-N 458.584 1.684 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1740626131 JRUPWOIFHNRJGX-OALUTQOASA-N 474.583 1.864 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740629215 FTMXWKDDRMEMTJ-RDGPPVDQSA-N 452.577 1.054 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc([C@@H](C)OC)n1 1740685231 CNJNTLHUIWKZKA-CABCVRRESA-N 453.590 1.478 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2COCCO2)CC1 1740689999 FTMFTGPWRNTIFU-DENIHFKCSA-N 455.559 1.987 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](COC)OC)CC1 1740692195 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1749194280 ZZCHKLRPVOOYAV-SFHVURJKSA-N 453.609 1.516 30 10 JDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1749219778 RZBJGHAWPMRNSA-KRWDZBQOSA-N 451.535 1.571 30 10 JDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1)OC 1749326146 CAZYEYOIFOEEQG-HXUWFJFHSA-N 461.526 1.836 30 10 JDEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)c1ccccc1 1749383194 SJFWKZOEUKACHT-SXLOBPIMSA-N 487.630 1.804 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC(NC(C)=O)CC1 1749427264 NVOHIMIMKJDOHE-ACBHZAAOSA-N 468.624 1.461 30 10 JDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749676957 JEUHXPIWCZRWAD-RXVVDRJESA-N 457.623 1.302 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCNC(=O)CC1 1749726152 YJEBADRGYWEPBV-HNNXBMFYSA-N 451.524 1.484 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760117884 VLLBYQNYWJHUJS-RCCFBDPRSA-N 496.634 1.326 30 10 JDEE 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1.574 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCn2nc(C)nc2C1)C(C)C 1760490204 RPKNICVLODATOP-VQTJNVASSA-N 488.662 1.799 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1760522118 LYRBCCYZQKAVDJ-PXNSSMCTSA-N 454.531 1.445 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1760523066 LEIFUTFLRHCQRB-UHFFFAOYSA-N 454.579 1.646 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1760527492 YPKSZVROIWOFSU-YADHBBJMSA-N 452.603 1.913 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1760528119 SLIXBTUUFFEFLZ-KRWDZBQOSA-N 451.531 1.895 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2ccc(C)c(F)c2)C1 1760543931 WHZVTNJMDFJRBL-MJGOQNOKSA-N 456.522 1.888 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1nc(C(F)(F)F)cs1 1761501424 HKQIFMKCFWRGNS-GHMZBOCLSA-N 479.510 1.335 30 10 JDEE C=CCN(CC=C)c1nc(=NCCCN2CCCC2=O)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871630025 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487.674 1.307 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1690141848 CPCJYNFUASEIFM-NRFANRHFSA-N 450.591 1.821 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1690661813 IALRVUCBTWGZDC-SFHVURJKSA-N 464.324 1.369 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1690667256 XAYUQPLXJRZSDC-QGZVFWFLSA-N 454.531 1.719 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(Br)c1 1690670777 ITLDTDOJCWWCDM-OAHLLOKOSA-N 482.404 1.881 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1690673974 KSQGDWUXQBXPPL-UHFFFAOYSA-N 483.646 1.609 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1690723671 XYZLDYWDVFESEP-MJGOQNOKSA-N 459.572 1.833 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1690724066 HLKZGRFMOSFKSI-OALUTQOASA-N 488.614 1.941 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccccc1 1692662052 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1705648674 WDFLSXVJQOEOTD-YKSBVNFPSA-N 453.543 1.917 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCO[C@@H]2CCOC2)CC1 1705650381 QNBJQIXEPZLOJC-OAQYLSRUSA-N 452.559 1.425 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1705730960 PTKIILHIXKQTPG-ZWKOTPCHSA-N 451.597 1.827 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(O)c2)CC1 1705731589 XTNOTVMNTCWNCI-QGZVFWFLSA-N 464.592 1.513 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1705769282 OAKQQEPHDXHTDZ-DLBZAZTESA-N 492.568 1.652 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)OCC)CC1 1705895140 VJGNSANVICVNLA-UHFFFAOYSA-N 469.546 1.728 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1705938590 DIJBDPFAJGPDDJ-XWSJACJDSA-N 455.625 1.522 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1706657226 FWADIYPJNCAREY-UHFFFAOYSA-N 472.619 1.857 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccn2C(F)F)CC1 1710329881 HVZUGYXUCHHCSN-UHFFFAOYSA-N 469.500 1.715 30 10 JDEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCCS(=O)(=O)c2ccccc2)CCO1 1712883970 CZVCXPZGVVKSHF-LJQANCHMSA-N 452.540 1.857 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)NC)c1 1722306672 UUCHXFIEULYGQI-UHFFFAOYSA-N 460.498 1.118 30 10 JDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1722335581 FUYGJKKAHNILMT-IBGZPJMESA-N 456.572 1.295 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1722363578 AKPFTCZQOQDRBN-QGZVFWFLSA-N 460.560 1.843 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1722364823 MOOTYIFAXWIKCU-ZIAGYGMSSA-N 474.356 1.647 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1722366149 QACYNWQINVCCIJ-GOSISDBHSA-N 459.601 1.547 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1722368940 UPVDTAKZKCSGIB-LJQANCHMSA-N 465.583 1.785 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1722372397 VYKBSWDYGKKXNZ-OAHLLOKOSA-N 490.636 1.596 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OC(F)F 1722429668 UYDLMPCHPVBTDF-MRXNPFEDSA-N 454.499 1.916 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2(C)COCCO2)CC1 1722443036 MSXQEGQNXGJWJG-DEOSSOPVSA-N 453.543 1.725 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(C)cc2C)CC1 1722444296 IMIOZKYUWUYJAD-LJQANCHMSA-N 486.642 1.714 30 10 JDEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722614466 ODPLUHPSJAETEF-SFHVURJKSA-N 465.558 1.982 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722683706 WOHFGYWJDPQKRS-FQEVSTJZSA-N 487.630 1.124 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1722696948 VFXFDHXQBBYICY-UHFFFAOYSA-N 455.548 1.292 30 10 JDEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1729840792 GFCHPBWFPLZSNU-SFHVURJKSA-N 468.558 1.839 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1740619631 KWYLRFRETPNKID-MRXNPFEDSA-N 482.509 1.625 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOc1ccc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1740627395 PYNQRVVPIACBCL-AEFFLSMTSA-N 479.990 1.926 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(S(C)(=O)=O)CCC1 1740637395 ALMLWZQPZFDHFD-UHFFFAOYSA-N 467.599 1.492 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N1CCOCC1 1740645751 LALUJCNTHUEFEH-RTBURBONSA-N 490.655 1.486 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNS(=O)(=O)CC 1740661353 ZDROVENKLFQCRS-HDICACEKSA-N 478.619 1.451 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccccc2Cl)CC1 1740690857 OYXLWHWTPVFQSM-INIZCTEOSA-N 450.996 1.540 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(=O)N2CCOCC2)CC1 1740703242 KTINDHNQUBIBFT-UHFFFAOYSA-N 470.961 1.423 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2CC[C@H](CO)O2)CC1 1740707628 JXZVHZACQOPMTF-FCHUYYIVSA-N 481.597 1.925 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1740810544 DNAYYKXAYQKGFC-GOSISDBHSA-N 463.991 1.824 30 10 JDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1740946169 XVMNDTSNJQLNLN-QGZVFWFLSA-N 464.574 1.415 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(COC)c2)C1 1740982975 ZDEMYBUHRQFHBB-SFTDATJTSA-N 491.614 1.587 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1747424687 CRLXYDUDFRYUBD-IRXDYDNUSA-N 480.566 1.958 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2cccnc2)CC1 1749000854 BRXJJBQYWZYBCH-UHFFFAOYSA-N 451.575 1.800 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCCNS(C)(=O)=O)CC1 1749008863 HTGOFHZPKGXCCA-UHFFFAOYSA-N 483.598 1.332 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1749016083 ZFSJVWGSOHTBJC-KBMIEXCESA-N 451.571 1.569 30 10 JDEE CC(C)(C)NC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1750486208 AXWRYNULUGDMNQ-KRWDZBQOSA-N 481.623 1.046 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1760187726 FBUGBICCJIUDBE-IBGZPJMESA-N 454.556 1.693 30 10 JDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1760196401 MVOHVUTZQOPGHD-QHCPKHFHSA-N 456.568 1.649 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCNS(=O)(=O)c1ccc(C)s1 1760204421 PDKHAEYKKMEHJA-UHFFFAOYSA-N 454.581 1.685 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ncc(C)s1 1760205972 OHTGDYMCPXYPHS-DOTOQJQBSA-N 462.601 1.252 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1760210732 VWHSXTPNSUJIKU-MOPGFXCFSA-N 485.614 1.020 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1760307429 RJNQYESTIAYAMH-CABCVRRESA-N 463.398 1.721 30 10 JDEE C=C(Cn1c([C@H]2CCC(=O)N2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1760363124 FMQYIGBUXVYEHK-WOJBJXKFSA-N 473.599 1.973 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN(CC)CC)CC1 1760402178 ISDRUMRPPMKVDV-LJQANCHMSA-N 454.641 1.745 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCOCC2)n1 1760495515 PZCYVXJOMXNJOY-SFHVURJKSA-N 458.588 1.639 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1760554791 MRKFAACYZQZMNF-RDJZCZTQSA-N 482.632 1.028 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1760557083 ZSPFIWFVCWDCLG-OALUTQOASA-N 473.599 1.726 30 10 JDEE CC[C@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1763903892 AATAIOZJJYIBGQ-AZUAARDMSA-N 486.646 1.504 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(C(=O)C2CCN(C(=O)C(F)(F)F)CC2)C1 1858310005 OFWSDGYTRFAQIV-HNNXBMFYSA-N 458.462 1.238 30 10 JDEE C=CCn1cc(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)c(=O)cc1CN1C[C@H](C)O[C@H](C)C1 1870428312 BVLHMOIUCCKCEU-HDICACEKSA-N 481.557 1.137 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)CC1 2136345216 VGBGSQYZTWWQQS-BBWFWOEESA-N 452.357 1.508 30 10 JDEE CO[C@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255802754 DFYIFRKIKGRJOC-KBPBESRZSA-N 453.370 1.806 30 10 JDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C 2255832896 TZOPPBIDHABPQV-CHWSQXEVSA-N 453.370 1.773 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC(C)(C)CNC(=O)OC(C)(C)C)n1 2255933244 MDWCSRGLMLRMNX-UHFFFAOYSA-N 458.390 1.301 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256612606 FPTJLPXLMMENDZ-GXTWGEPZSA-N 453.370 1.429 30 10 JDEE CC(C)(C)OC(=O)N1CCSC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256671326 RDLQZGCTWACAPT-GFCCVEGCSA-N 470.426 1.798 30 10 JDEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C 2267011929 MQGZORIIBSFKGV-MRXNPFEDSA-N 451.373 1.984 30 10 JDEE CCCN(CCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)OC(C)(C)C 2267372136 JWLIVPGJJYWAAL-UHFFFAOYSA-N 472.417 1.645 30 10 JDEE CN(Cc1ccccc1)CC(C)(C)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267471990 XKLHTUBDPSUQGT-UHFFFAOYSA-N 462.425 1.908 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CCO 2267546825 BWSPFHWNAYXUQQ-AWEZNQCLSA-N 467.397 1.886 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](CF)(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267595429 IMWKDWDNUHLKRK-OAQYLSRUSA-N 450.320 1.855 30 10 JDEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(S(=O)(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2267704232 KHGDDHYSFFYNCV-SPLOXXLWSA-N 465.381 1.669 30 10 JDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)cc2)OC1(C)C 2267715341 WGTAZMHPIPSMQC-SFHVURJKSA-N 462.299 1.817 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=S2(=O)CCC(NC(=O)OC(C)(C)C)CC2)n1 2281955466 LMTJIDDIQRPDSJ-UHFFFAOYSA-N 483.400 1.410 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]12CC[C@H]1CN(Cc1ccccc1)C2 2282183934 MJNNZXJQWLUVMG-MHECFPHRSA-N 451.380 1.756 30 10 JDEE C[C@H]1[C@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2282498001 XNXPTTATCNRBPD-GOEBONIOSA-N 484.428 1.786 30 10 JDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282498973 LTGBRLLXSYJNGQ-OAHLLOKOSA-N 484.428 1.739 30 10 JDEE CC1(C)OB(c2ccc(CS(=O)(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)cc2)OC1(C)C 2282499436 PBFDRSHRLXHJPH-IBGZPJMESA-N 476.326 1.959 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)OC(C)(C)C 2282538823 LHFVVWJUHOPLPR-CRNXPOROSA-N 462.356 1.130 30 10 JDEE C[C@@H]1OC2(CNC(=O)OC(C)(C)C)CC1(NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2282583383 JAKSDSBRFKBCLQ-MFBUALDNSA-N 462.356 1.654 30 10 JDEE CN(Cc1ccccc1)[C@]1(CNC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCOC1 2282586974 GUDCZTPBVGYRBH-DEOSSOPVSA-N 454.380 1.740 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC[C@H]1CO 2282614277 QRRAMLAPSHYXHG-HOCLYGCPSA-N 462.356 1.124 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C2(CNC(=O)[C@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)COC2)CC1 2282645839 LJADFRXCLPHMSK-IRXDYDNUSA-N 465.400 1.907 30 10 JDEE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282849745 GISOJRJGVBYHMK-HNNXBMFYSA-N 484.428 1.739 30 10 JDEE Cc1nc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H]2CCOC2)ncc1B1OC(C)(C)C(C)(C)O1 2284059221 FEGDJSRXELNELD-GDBMZVCRSA-N 462.356 1.953 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C 2284120709 XUTNKWCMLYEPGT-OKZBNKHCSA-N 462.352 1.574 30 10 JDEE COCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(O)c(OC)c1 2296235668 PMZOKMVHUDYXQA-HXUWFJFHSA-N 490.534 1.719 30 10 JDEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)cc1O 21316758 JRUACVXZPBPOFB-LSHDLFTRSA-N 471.499 1.654 30 10 JDEE Cc1ccc(S(=O)(=O)/N=C(O)/N=C(/Nc2nc(C)cc(C)n2)N2CCC(C(N)=O)CC2)cc1 22709596 XOFMNTRPSLTHTK-UHFFFAOYSA-N 473.559 1.670 30 10 JDEE CCN1CCN(C(=O)/C(C#N)=c2/s/c(=C/c3ccc(F)cc3)c(=O)n2-c2ccc(F)cc2)CC1 97993598 SDCJJYRZNYLPDS-WQVDJDJCSA-N 480.540 1.844 30 10 JDEE COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1Cc1ccccc1 524410821 YOYKBXPCPJIKMO-UHFFFAOYSA-N 473.476 1.641 30 10 JDEE C#CCN(C(=O)CCc1nc(C2(NC(C)=O)CCCCCC2)no1)[C@H]1CCS(=O)(=O)C1 729335538 QTJGCCDKEDJPEA-KRWDZBQOSA-N 450.561 1.337 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCCN2CCCC2)c1 1286309315 QMSZJTZOVJTRNZ-UHFFFAOYSA-N 451.575 1.958 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1286365925 NHAXAKAGJNSELE-GOSISDBHSA-N 480.598 1.919 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1286384057 PFCBKDLNAUWVQR-LAUBAEHRSA-N 479.990 1.654 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCOCC1(C)C 1286438110 AWOGIVRJCFKURD-UHFFFAOYSA-N 483.642 1.812 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCC[C@H](C)C1 1286448560 YEKXILHEJQIJLD-OALUTQOASA-N 466.652 1.581 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CC[C@H](CO)O2)CC1 1286492605 NJEHQAFAYUJXSZ-FCHUYYIVSA-N 481.597 1.980 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C)CC1 1286819597 PFWQIWMICYEMCH-GOSISDBHSA-N 458.588 1.465 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2Cc3c(C)cccc3N2C(=O)OC(C)(C)C)CC1 1292889501 CUZWLWZPUSXTQK-NRFANRHFSA-N 454.571 1.945 30 10 JDEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1295249872 HBYSKHURVYWFNH-KRWDZBQOSA-N 460.560 1.267 30 10 JDEE CCN(CC)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1295505011 CBHPOGCEJAIKFC-HXUWFJFHSA-N 451.575 1.844 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCN1CCOCC1 1300391184 IWNCESUNKKWMFB-UHFFFAOYSA-N 460.604 1.377 30 10 JDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCCN1S(C)(=O)=O 1300544676 BLTNCCXKDSRQGL-HXUWFJFHSA-N 450.568 1.778 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)C(C)(C)C 1300643607 SDBUJIFHJGEAEC-MRXNPFEDSA-N 478.594 1.830 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)c2ccc(F)cc2)CC1 1300711659 GQLLIBWFLBFHFR-DLBZAZTESA-N 490.605 1.797 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1300747076 XHENKTYYYPEQRE-UHFFFAOYSA-N 481.582 1.915 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1300991148 PVSNPFFZNBWUSZ-QRVBRYPASA-N 469.608 1.209 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C 1301425131 RQCBEXXCSKKDIH-KRWDZBQOSA-N 466.583 1.704 30 10 JDEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1301458731 FNUFFBQUCCTGOQ-QFIPXVFZSA-N 470.530 1.595 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1301498489 OZPWLULODKPGQX-INIZCTEOSA-N 457.510 1.006 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(C)C)CC1 1301577541 LAXGFQOJPGSSRV-UHFFFAOYSA-N 461.588 1.859 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1358884979 AHCQEHPNFTVDJR-SJORKVTESA-N 468.583 1.958 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1358965430 VCYZXTJBCVUVJK-FQEVSTJZSA-N 451.552 1.948 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358965533 XAFCIFAGJRKREH-JXHRLWIKSA-N 458.584 1.344 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1358966968 AOARSJNSPSJCJH-MRXNPFEDSA-N 465.963 1.273 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(NC(N)=O)cc2)CC1 1359044831 PPRULPBIHOTEAH-GOSISDBHSA-N 451.531 1.287 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC(=O)NC(C)C)CC1 1359047182 VHQMYXUSLOEIQO-UHFFFAOYSA-N 452.559 1.656 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCN(C)C1 1359108442 OJHNLGGJMZKALK-QFIPXVFZSA-N 462.620 1.664 30 10 JDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc2cc(OC)ccc2n1C)C1CC1 1359246882 NUXNRGHFJMHJKM-AWEZNQCLSA-N 459.576 1.987 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCN(C(C)C)CC1)C1CC1 1359251893 YGGRUIODMRJYDH-LJQANCHMSA-N 482.651 1.001 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@H]2C1 1359309494 UINSJONFQNMIAI-NVXWUHKLSA-N 476.559 1.142 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OC(F)F)c(Br)c2)CC1 1455115297 NOWZYPVPQFEMQA-UHFFFAOYSA-N 452.277 1.276 30 10 JDEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1499949397 IAFUHVVWJYTQCF-XMMPIXPASA-N 467.574 1.942 30 10 JDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1503364489 GUSOVMYKCRPVNV-IBGZPJMESA-N 450.547 1.725 30 10 JDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1504883988 HCBQLOOHPWILLJ-OALUTQOASA-N 461.611 1.768 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1507558462 XDFYKOCOCAKBGI-ZWKOTPCHSA-N 465.624 1.274 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCCC=C)[C@H]1CCS(=O)(=O)C1 1507627819 GBGPBSIWQIFNJR-IBGZPJMESA-N 472.567 1.936 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1507633930 VRAYYSWDSQMGFS-LEWJYISDSA-N 485.610 1.749 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507635952 WPIHRHMTTSTGKD-GOSISDBHSA-N 468.587 1.285 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507638808 GWVKQUPJSGPZMH-SFHVURJKSA-N 491.589 1.785 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1507640002 NXZICAIZGUSQHS-INIZCTEOSA-N 456.519 1.048 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1507642353 JEJRQDMHMLNOBN-CVEARBPZSA-N 452.581 1.217 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C1CCCCC1 1507688528 CEDLIOQCQQWSJL-LJQANCHMSA-N 452.625 1.335 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(C)(F)F)c1 1507711471 VAJXUKCNMPMHFG-IBGZPJMESA-N 497.568 1.857 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@H]2CC(F)(F)CO2)n1 1507715640 ATFUKMLKZDDYJR-GOSISDBHSA-N 460.489 1.586 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCCN2CCC[C@@H](C)C2)CC1 1507733651 HCOXFJFJHQVQGQ-HXUWFJFHSA-N 471.650 1.894 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(NC(C)=O)cc2)CC1 1507738640 SZUGKKNUTWHWAL-NRFANRHFSA-N 477.569 1.396 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1C 1507750821 FSFNZQFQVDWXOR-IBGZPJMESA-N 463.629 1.922 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCC(C)C)C1 1507752163 WCIRIKFVURMJNE-QZTJIDSGSA-N 471.649 1.229 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(CC)CC 1507773654 UZHRJBDISWYSSQ-DBXWQHBBSA-N 452.625 1.333 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1507791125 HYLRSIQCONQHJA-FJIDUMEYSA-N 453.609 1.753 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)N2CCN(c3ccccc3)CC2)CC1 1507882763 WDNAXWWQCCDSLN-LJQANCHMSA-N 487.630 1.394 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)C[C@H]1C 1507916182 LODBPTIEMHITFC-AEFFLSMTSA-N 468.624 1.270 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(O)CCN(C)C2)C1 1508117429 NVFSDVQABYCNKC-GCJKJVERSA-N 461.588 1.197 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1509779715 ASMVBCXHBNMSTR-UHFFFAOYSA-N 485.614 1.593 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)CC1 1524011544 WIKIAIZASPZJOR-UHFFFAOYSA-N 453.511 1.354 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(F)F 1539016793 VOKOGGSTXSTZPC-WMLDXEAASA-N 469.514 1.719 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1539206465 PLJAGIIYZUBGLH-GOSISDBHSA-N 488.591 1.925 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1539210941 FJRMCUWMEKDJJH-GOSISDBHSA-N 475.571 1.115 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1539221499 ORJAWBNTMNBXBD-DLBZAZTESA-N 454.618 1.243 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1539230562 OBFCWJSRICTMNV-LJQANCHMSA-N 459.572 1.318 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccccc1F 1539325305 GLMDRBQYEFATEQ-KRWDZBQOSA-N 457.531 1.212 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1539462184 DEECPJPDBGSTTK-OTWHNJEPSA-N 485.633 1.719 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cnn(C)c1 1539517187 JQWMSJLOHBFOED-ROUUACIJSA-N 479.632 1.052 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1COC(C)(C)OC1 1539631146 JJECXCVPRQUIEY-QRVBRYPASA-N 468.620 1.997 30 10 JDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1539759015 WMKUMSUAHOEQDY-IRLDBZIGSA-N 487.649 1.372 30 10 JDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC=C 1540077674 POEOAWALCYGVGQ-MRXNPFEDSA-N 455.581 1.810 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CC1 1540136694 JTJVLVTWBWGICF-GOSISDBHSA-N 465.551 1.468 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)c2ccccc2)CC1 1540862034 OWPKUTJDARACFS-UHFFFAOYSA-N 467.574 1.461 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(N2CCCNC2=O)CC1 1540875836 ZJBZOETXKVTARB-UHFFFAOYSA-N 471.537 1.683 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)[C@H]1C 1540904780 OODOSFYLROBYBE-CRAIPNDOSA-N 461.544 1.058 30 10 JDEE CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CCOC1 1554713454 CWBVNWJZWUPRDJ-KKSFZXQISA-N 460.560 1.092 30 10 JDEE N#C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)NCC(F)(F)F)CCO1 1555994019 DYHALXJTFWDQRR-CQSZACIVSA-N 458.828 1.918 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(Cl)cc(S(=O)(=O)CC)c2)c1 1557041330 YEQACLAGOIPDPN-UHFFFAOYSA-N 454.957 1.975 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CCC(=O)N2CCOCC2)c1 1587693974 YTSXFSBNEZBADL-UHFFFAOYSA-N 452.559 1.782 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1587765560 IAMPKNLREOKRHU-LJQANCHMSA-N 453.572 1.577 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ncccc2F)CC1 1587766445 UVBKKEDUQVTSIX-IBGZPJMESA-N 491.593 1.275 30 10 JDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1587847240 GOWGJQICBOXMHC-SFHVURJKSA-N 457.604 1.956 30 10 JDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)N1CCSCC1 1587926911 LYFGAFVEVORMGP-UHFFFAOYSA-N 473.422 1.484 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1CC1CCN(CCN(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1588029041 CRGHEYRZAMOUTJ-CTNGQTDRSA-N 464.680 1.692 30 10 JDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1588030516 WQZORBOFSIVFIH-OTWHNJEPSA-N 483.660 1.232 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](c1cccc(OC)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588049105 AEXNXHCQUDEMET-UGKGYDQZSA-N 495.609 1.673 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588049724 KYVVUFHFMBDFHL-KRWDZBQOSA-N 498.609 1.634 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588049725 KYVVUFHFMBDFHL-QGZVFWFLSA-N 498.609 1.634 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1588055197 SVONRUPTHFBVGU-ICSRJNTNSA-N 471.583 1.497 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC[C@@H]1CC 1588386475 PLIBBMSVAJYMSH-RBUKOAKNSA-N 452.625 1.335 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NCCOC)CC1 1589485286 YAUJEEWJPCHREM-PZJWPPBQSA-N 497.600 1.886 30 10 JDEE C=C(C)Cn1c(-c2cccn2C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1593616459 JAMIETABEABRNZ-RYRKJORJSA-N 476.603 1.986 30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(=O)NCC(F)F)CC1 1594035658 MEOOPHWPQWNRSQ-UHFFFAOYSA-N 468.530 1.733 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-n2ccnc2C)nc1 1595218778 NQQFVWCZUMVBGX-FQEVSTJZSA-N 498.613 1.727 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1595529952 NSFOTFXZUSZJPP-UHFFFAOYSA-N 481.948 1.941 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1595551847 WOGWWBULFADSMT-HXUWFJFHSA-N 472.615 1.113 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1595569390 GOZLJBKJQCPXMW-DEOSSOPVSA-N 455.559 1.976 30 10 JDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(C)n(C)c2=O)cc1 1619322078 GRBSPLKELNZGAL-FQEVSTJZSA-N 450.499 1.650 30 10 JDEE C=C[C@H](C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1630478310 SUTNLUGQMLCQLY-AWEZNQCLSA-N 458.378 1.753 30 10 JDEE CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n(C)c1 1632527200 ATOHOXAYUQDXPE-HOCLYGCPSA-N 453.565 1.544 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)c2cc(C3CC3)nc3c2c(O)nc(=O)n3CC(C)C)CC1 1633885433 XYWOXCMDRNOFGU-UHFFFAOYSA-N 451.527 1.632 30 10 JDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC(O)(c3cccc(Br)c3)C2)c1 1641776433 AQTOQQRHLOTIFP-UHFFFAOYSA-N 450.314 1.329 30 10 JDEE CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1Cl 1660909740 IFYQLAQUSSVACC-LLVKDONJSA-N 452.899 1.999 30 10 JDEE C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1672352398 HNAMVPLRYNAKCA-QRWLVFNGSA-N 455.540 1.709 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(C(=O)NCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1689991723 BLERFTUPBDYCQQ-HXUWFJFHSA-N 487.601 1.941 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1689993147 WRHVLIGFGOIITF-GOSISDBHSA-N 473.990 1.809 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc([C@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1689996066 DHCNOPSUYLEVLP-SIKLNZKXSA-N 482.610 1.868 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(Cl)c1 1690019419 IGBAUDQLVRFWJV-IBGZPJMESA-N 477.974 1.416 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cccc(C(N)=O)c2)CC1 1690110526 PNMCRJGODXJNQM-UHFFFAOYSA-N 458.526 1.022 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1690117455 IIVPGABHCFRSPO-UHFFFAOYSA-N 457.026 1.775 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1690153840 CZLXPFUHVDJBRI-NHCUHLMSSA-N 458.607 1.452 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C(C)C)N1CCCC1 1690206163 IRSKHHHZTIWHFQ-ZRCGQRJVSA-N 478.663 1.724 30 10 JDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCN(CC)CC2)CC1 1690375231 DJJHCTUCFGTTKP-FQEVSTJZSA-N 450.653 1.754 30 10 JDEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1690640788 CVDBZKVXPANSMJ-UHFFFAOYSA-N 451.531 1.546 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(c2ncccc2F)CC1 1690658968 FRMSUBUYTKJFAX-UHFFFAOYSA-N 472.569 1.750 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1690665597 JGMBGHGTUHBQGO-QGZVFWFLSA-N 456.547 1.617 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1690666591 ABLFOPTYRCIKPY-UHFFFAOYSA-N 479.516 1.928 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1690675145 QBKOIDARXRUQGG-UHFFFAOYSA-N 483.665 1.437 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(S(C)(=O)=O)CCC2)C1 1690714068 DFIMLQPKMHMJBZ-BZSNNMDCSA-N 454.593 1.751 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCS(=O)CC1 1690719780 TTZCWHYPLKORCZ-UHFFFAOYSA-N 468.601 1.522 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1690723557 VQHXHRQOWJGIBN-QFIPXVFZSA-N 460.604 1.550 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC1CCOCC1 1705516403 AIMGDGHUHWPMNJ-IBGZPJMESA-N 453.609 1.667 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1705558685 FIJVEQKOMZBMRL-QGZVFWFLSA-N 476.628 1.402 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CC1 1705619537 UOXNKBXGNZISBX-HNNXBMFYSA-N 483.591 1.244 30 10 JDEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NC(C)C 1705622292 DHLMDEAMOBTABX-UHFFFAOYSA-N 461.592 1.157 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1705661696 HTWZFBSMCSWGDX-IAGOWNOFSA-N 462.576 1.682 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CCOCC2)C1 1705662207 SQRKCGQWJSHZFS-SFHVURJKSA-N 483.660 1.374 30 10 JDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705828076 ALXUDOAAMSBBHA-UHFFFAOYSA-N 486.602 1.486 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1705830732 WMFFRKUDBHWCIM-KRWDZBQOSA-N 477.562 1.765 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705857722 JUJCEABHHGIHCJ-OAQYLSRUSA-N 497.625 1.860 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1705891041 WAXNTKNUBUUQER-SJLPKXTDSA-N 466.633 1.742 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCCS1(=O)=O 1706076631 BBVUJUALECLXTI-CABCVRRESA-N 450.590 1.833 30 10 JDEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)CC)cc1 1710542317 HJCAYGZDTHJIPL-APWZRJJASA-N 463.560 1.980 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CC)C(=O)OC(C)(C)C 1722292829 AYAUOAPSFPHJOH-DLBZAZTESA-N 484.623 1.326 30 10 JDEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1722311165 UCBCFNVCJGZZKG-UHFFFAOYSA-N 478.557 1.224 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1722369506 AGIRRDZRTMQDAC-BJLXPSRBSA-N 485.031 1.906 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1csc([C@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1722372029 OGTKGWGUUBZKRJ-DOTOQJQBSA-N 492.627 1.239 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cc(C)ccc2OC)CC1 1722448516 YTDMKBMTLXNXRC-NRFANRHFSA-N 499.637 1.706 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncnn1CC(F)F 1722510525 VGRHARXDRGENQP-RKVPGOIHSA-N 485.561 1.654 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2F)C1 1722727296 HKOMZKDJNATJEG-LPHOPBHVSA-N 498.602 1.498 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@](C)(C(N)=O)C1 1722728189 RNQAGGAZFCTODM-JOCHJYFZSA-N 456.572 1.739 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1722730343 PHIHUEVOGNWUND-RTWAWAEBSA-N 487.626 1.920 30 10 JDEE COCCN1C[C@@H](Cn2c(CCCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1730778268 FMLPFLQNRXSXOC-LEWJYISDSA-N 452.559 1.677 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCCSC2)C1 1731012325 GEQKDIIYRTXZOY-QZTJIDSGSA-N 468.649 1.884 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1740615304 ABUAQRRDZUKVHP-PBHICJAKSA-N 462.576 1.452 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)n1 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494.687 1.782 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(O)(CCC)CCC)[C@@H]1CCS(=O)(=O)C1 1760179483 SCRYSMHSRMEPDR-GOSISDBHSA-N 465.620 1.472 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1760186589 OYMURUYWXGPDSC-HXUWFJFHSA-N 468.558 1.976 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760191427 HDAWLASQDXZCAD-ZJOUEHCJSA-N 474.631 1.970 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(C)cc1 1760206214 UDJOPYWVZTZDAE-CTNGQTDRSA-N 471.583 1.460 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccn(Cc2ccccc2)n1 1760232907 FMIXNGSJYGIBGX-NRFANRHFSA-N 483.598 1.364 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2CCOCC2)CC1 1760262430 XXVLCBBQEVBBIJ-FQEVSTJZSA-N 474.606 1.768 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@]2(N3CCOCC3)CCSC2)CC1 1760265358 YVZQQEJYYXZJCT-XMMPIXPASA-N 474.675 1.749 30 10 JDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOCC)CC1 1760300283 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C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(Br)s1 1760522221 OESUKWXZVFQIRX-GFCCVEGCSA-N 488.433 1.943 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1760522981 IOXCWESPEMWJIG-RTBURBONSA-N 468.606 1.202 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@@](O)(c3ccccc3F)C2)nnc1[C@]1(OCC)CCOC1 1760528589 HJENDVNQRMAGET-GOTSBHOMSA-N 459.522 1.469 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(O)CCOCC2)C1 1760544096 VRZIAFWYXSFEST-OALUTQOASA-N 493.605 1.909 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760551141 UYPOZIQALNMGPE-MRXNPFEDSA-N 454.574 1.178 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C(=O)NCC)CC1 1767215000 GGSZVFOXSLSDOX-UHFFFAOYSA-N 466.590 1.237 30 10 JDEE COC1CCN(C2(Cn3c([C@@H](C)NS(C)(=O)=O)nnc3N(C)C[C@@H](C)C#N)CCCC2)CC1 1769074241 HUNDHXFHWSGNMX-ZWKOTPCHSA-N 481.667 1.908 30 10 JDEE COCCN(C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1771076126 GEYXCLXDTLHZQZ-FQEVSTJZSA-N 466.590 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1.711 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)NCCN=c3ncnc4n(C)[nH]c(Br)c3-4)cc2C1=O 729458883 IVWLLIWWTUBHHA-UHFFFAOYSA-N 484.314 1.123 30 10 JDEE CCc1cccc(-n2c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc3cnn4ccccc34)c2=O)c1 729669810 DVSZTXUTWKAROG-QGZVFWFLSA-N 487.585 1.763 30 10 JDEE COCCn1cc(C=NNc2nc(SCCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n[nH]2)cn1 1084412784 XUALWWJTYFSBIB-UHFFFAOYSA-N 483.514 1.098 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1286381769 GUOZGTNPYYEORQ-SIKLNZKXSA-N 462.547 1.744 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286382704 SZHYCMGXCKIGMU-QRVBRYPASA-N 463.604 1.346 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1286384020 GIZBBAQOXNSBOW-IRXDYDNUSA-N 487.561 1.844 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1286390026 VHWPEVCXPNIPOY-VGOFRKELSA-N 470.555 1.479 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1C1CC1 1286431282 NRMLRXXRZBXGHE-LEWJYISDSA-N 474.631 1.091 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1286473959 WQJDXCKZSIJJRJ-GCJKJVERSA-N 485.585 1.778 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCS(C)(=O)=O)CC1 1286475059 VZYTYTQUFXAXID-UHFFFAOYSA-N 470.368 1.647 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@H](F)COC)CC1 1286480407 VRQGTBIMWLFLHL-KRWDZBQOSA-N 453.522 1.415 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1286484872 ZBWQLSYIDHDZKH-DEOSSOPVSA-N 493.656 1.863 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC2(N(C)C)CCOCC2)CC1 1286489994 FQSMUYIEODXVNE-UHFFFAOYSA-N 465.602 1.725 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCCN2CCN(CC)CC2)CC1 1286492719 IJTRHHLZMNSGGV-HSZRJFAPSA-N 485.677 1.556 30 10 JDEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NCC)CC1 1286532559 GOPMHRQOWNNYFF-UHFFFAOYSA-N 458.364 1.983 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(N)=O)CCCC1 1286581745 NIDMNEQMFUBXRD-INIZCTEOSA-N 454.597 1.059 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(CN(C)C)c2)CC1 1286645575 FSAOJQMNDZVQHZ-OAQYLSRUSA-N 474.631 1.877 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N2CCNC2=O)CC1 1286776204 JSWSVZGKBDVTIX-QGZVFWFLSA-N 461.567 1.767 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1286780180 QQZDKYOWFLESKZ-MRXNPFEDSA-N 470.530 1.084 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(N2CCNC2=O)CC1 1286789901 IRSZGYARUUXYTI-UHFFFAOYSA-N 467.574 1.770 30 10 JDEE CN(C)[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1298023361 CIXWBUOQBXJHIO-QUCCMNQESA-N 473.603 1.264 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1300482332 FECPFYDQRYBQOR-UWVAXJGDSA-N 488.557 1.370 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300488599 FLUUIVFVZNKOIQ-AZUAARDMSA-N 473.599 1.301 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300504662 PVEHIURDOCZIRU-FQEVSTJZSA-N 459.620 1.252 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1300505016 XJJFSLPLSWIDDW-RTWAWAEBSA-N 482.610 1.697 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)N1CCN(CC)CC1 1300532378 UHSQJRAKPRDGRQ-LJQANCHMSA-N 458.570 1.693 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](OC)c2ccc(F)cc2)CC1 1300684020 WEFWVZMQISSDRK-APWZRJJASA-N 464.567 1.170 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1300883488 BLEPHHHVXRGRHR-ZRNYENFQSA-N 468.620 1.793 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCOCC1 1300914342 CHVOKHDTNBEVOX-SFHVURJKSA-N 470.640 1.124 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1300952547 XTRJKFBKWWVUSV-ZWKOTPCHSA-N 468.624 1.176 30 10 JDEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1301017934 QDQDHUYPRQHAKW-HZPDHXFCSA-N 474.949 1.716 30 10 JDEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCCS1(=O)=O 1301312396 BBBDSDCWRIZVAA-IYBDPMFKSA-N 454.597 1.707 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccco1)Cc1ccco1 1301499991 IKVLDJXWKKTWOP-INIZCTEOSA-N 459.528 1.875 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1301520175 DEEZUMFXNIRKBQ-CDMIOBSGSA-N 465.620 1.514 30 10 JDEE CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)CC1 1302474562 FQJJACNMTXCGIP-UHFFFAOYSA-N 499.622 1.780 30 10 JDEE CN(C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)C1CCCCC1 1314649912 FEXSOHJIEZVBSM-KNKQGSTJSA-N 497.641 1.563 30 10 JDEE CN(C)S(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1314675182 HFBRWFTXSDMOLO-APWZRJJASA-N 450.496 1.124 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ncccc2C)c1 1358902292 JWZJTVKLBSYDPU-LJQANCHMSA-N 478.578 1.988 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCOc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1358961679 CZGLDSOTLGHAJM-NVXWUHKLSA-N 477.974 1.588 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCNS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358963496 JFTJXYZVYRCKCN-GOSISDBHSA-N 479.628 1.082 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCNS(C)(=O)=O 1359014205 ANZMUYJCYANHSP-INIZCTEOSA-N 454.597 1.749 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1359031899 SVJVDJVXGXPCDN-JOCHJYFZSA-N 467.574 1.965 30 10 JDEE C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)NC)CC1 1359085843 AYHMCGHZDIWZKX-UHFFFAOYSA-N 459.352 1.887 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1359240298 KTKXJXAWCGXKHU-CQSZACIVSA-N 494.565 1.393 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1359291416 PJBMGBFFANIEIA-UHFFFAOYSA-N 468.518 1.051 30 10 JDEE CCOc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1472554647 CJQAXEPQZNGVMW-HXUWFJFHSA-N 456.524 1.153 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507631811 GIFMREREGNLIGA-WOJBJXKFSA-N 476.647 1.512 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1507633062 RHAXEIVZAAUANW-UXHICEINSA-N 490.651 1.666 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(CC)cc1 1507653712 QSYHAWGZCJYVLT-NRFANRHFSA-N 455.584 1.489 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2conc2COC)CC1 1507718946 XEQAXXKBXRGXAG-UHFFFAOYSA-N 452.515 1.900 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1507808727 UXJXKLQATANKSA-LMMKCTJWSA-N 474.587 1.920 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1508087532 SRWVXGAKXYPHEX-INIZCTEOSA-N 468.537 1.885 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2sc(C)nc2C)C1 1508126475 RPINGKXASRPQQT-ROUUACIJSA-N 496.659 1.708 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1508136466 HCWYISXJJONSQI-QGZVFWFLSA-N 482.632 1.049 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)NCC)CC1 1508143550 IDZYEQWSGGIMES-UHFFFAOYSA-N 476.603 1.330 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1539071499 AKQURGNBKOICCS-LJQANCHMSA-N 499.597 1.700 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539204121 YYLDHZBCFAUFOI-INIZCTEOSA-N 460.560 1.367 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(Cn2cccn2)c1 1539239291 JNCMJVXRZYCZLO-GOSISDBHSA-N 451.556 1.254 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)C(=O)NC)CC1 1539427990 LHPZEGJHZBNGDR-UHFFFAOYSA-N 471.993 1.389 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1539665630 CEPGHNMRULWHDO-UHFFFAOYSA-N 465.558 1.877 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1c2ccccc2C[C@H]1C 1540071988 IZFLQBRTVCOUHZ-XLIONFOSSA-N 460.604 1.684 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccc(OC)c1)N(C)C 1540074541 ZKDXDFSWIPZQGC-PMACEKPBSA-N 478.619 1.545 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1540861676 BLBAYGKPIMKUFV-UHFFFAOYSA-N 473.603 1.487 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(Br)ccc2C1 1540871855 VOQOPQCJCVEJSN-MRXNPFEDSA-N 494.415 1.808 30 10 JDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1540898248 DTALOZCJFFZVIV-UHFFFAOYSA-N 457.560 1.158 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1587561414 DXJYVZLNRWZXMN-BBWFWOEESA-N 461.592 1.015 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(OC)c1 1587990321 VKGPHQZEEPTHCY-APWZRJJASA-N 463.560 1.157 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Br)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1588044949 DIKFYAVRIXDTDO-HNNXBMFYSA-N 494.415 1.813 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1588044967 DOOCLFMBCHFMJH-KRWDZBQOSA-N 450.586 1.315 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588049631 KAAPRNHHRNZHKV-OAHLLOKOSA-N 463.560 1.448 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1588074069 IGPAFMIXIIQYHU-BJLQDIEVSA-N 477.587 1.476 30 10 JDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cccc(N2CCCC2=O)c1 1588673743 YRLQDJOXKVHNMZ-UHFFFAOYSA-N 450.543 1.662 30 10 JDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(CC(=O)N(C)C)CC1 1589306448 ZRVUKIKANIKMGL-HNNXBMFYSA-N 459.389 1.121 30 10 JDEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1593660748 VANYRWMLAGAACI-NRFANRHFSA-N 458.632 1.842 30 10 JDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCc2nn(C)c(=O)cc2C1 1594825386 YUNJBTMZHWNFNM-UHFFFAOYSA-N 469.571 1.519 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN(C(C)C)C2)C1 1595674193 NRUJLKJPXMTROG-IPMKNSEASA-N 454.641 1.790 30 10 JDEE C=C(C)CN1CCC(NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)CC1 1616322923 KFZKPBQBKZXFFK-HXUWFJFHSA-N 450.605 1.373 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1619899678 FICIODXNQGENPJ-OFNKIYASSA-N 489.598 1.594 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)/C=C/c2cc(Br)c(O)c(OC)c2)CC1 1627014694 ANDOVXOAPRPJRR-AATRIKPKSA-N 450.333 1.460 30 10 JDEE C=C(C)C[C@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1644459295 RIRNFOONKQFATN-LJQANCHMSA-N 451.589 1.360 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C2)s1 1644882241 NLBWJOQNWLEHGY-CHWSQXEVSA-N 454.492 1.955 30 10 JDEE C#CCN(C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 1677528006 PNPXLHLMHHMIIQ-WBVHZDCISA-N 455.483 1.615 30 10 JDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)[C@@H]1CCCO1 1681812607 MXHASUFYQYJVPF-SJORKVTESA-N 456.362 1.646 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)N[C@@H](C)CC)c1 1689870589 TXWKJXZOBZMYCC-QFBILLFUSA-N 465.558 1.590 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)nc2)c1 1689872037 MRMDQMAYKBSZJP-FQEVSTJZSA-N 478.578 1.988 30 10 JDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1689937037 MHZBHYFKZCKZLU-UHFFFAOYSA-N 470.599 1.466 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCCCN1CCC[C@H]1CO)[C@@H]1CCS(=O)(=O)C1 1689986634 UJMZBUAEFUFSKW-VQTJNVASSA-N 472.615 1.204 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689987687 APKJMCNSVMSJMW-MJGOQNOKSA-N 471.612 1.726 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1689998592 QKCJXEWMGDVENZ-JYJNAYRXSA-N 473.393 1.537 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1c(C)noc1C 1690019128 BEMCLMAAHPIKHN-YJBOKZPZSA-N 460.560 1.092 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)C(C)(C)C 1690101057 MXFHFWNIFLNLAM-UHFFFAOYSA-N 472.571 1.893 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCCOC)C1 1690247117 ZZMVEGVQDVZFQB-ZRNYENFQSA-N 468.620 1.793 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)N(C)C)c1 1690266085 ZXJCMYLITPUQKD-FQEVSTJZSA-N 490.630 1.764 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(CNS(C)(=O)=O)CC1 1690667173 SLBOUQLNOZMMEJ-UHFFFAOYSA-N 466.995 1.666 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCC[C@@H](COC)C1 1690669141 VNIUMDNNMKLPST-QGZVFWFLSA-N 465.558 1.747 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1690669400 DDKHKYSCPXJHRU-FGTMMUONSA-N 487.605 1.661 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1690724859 XRQVAYLOCGGFFO-ICSRJNTNSA-N 462.572 1.969 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(CS(C)(=O)=O)CC1 1691001318 GZRNNVMZUAUTLY-HNNXBMFYSA-N 469.571 1.613 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1705495521 RFBSOKJXVXJIMS-LPHOPBHVSA-N 453.572 1.884 30 10 JDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@H]2C1 1705534932 WDRDBOCLJJZETF-DLBZAZTESA-N 459.551 1.214 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705563519 YYXBRWATGISESM-CMPZQBNXSA-N 482.965 1.904 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1705567883 BLQAMWFMOSOKNZ-KRWDZBQOSA-N 460.556 1.529 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(OC)nc2ccccc12 1705583274 UJGXBYMUPCWTGZ-NRFANRHFSA-N 494.577 1.289 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1705620819 HOIUXKDZKFQREH-CEXWTWQISA-N 490.605 1.527 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccco1 1705661568 FDWQEEAPSUHNPI-SJLPKXTDSA-N 465.601 1.912 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1705811266 BRIVQLWMGWHFHP-STQMWFEESA-N 452.503 1.359 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnc2n1CCC2 1705859351 PMYYKOFXGRDDEB-MRXNPFEDSA-N 456.576 1.667 30 10 JDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705907386 KUWDJFFUSBIQOH-JOCHJYFZSA-N 479.585 1.522 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(CS(C)(=O)=O)CC1 1706068322 IBYCVHUZXMFLER-OAHLLOKOSA-N 465.601 1.769 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCN1CCOC[C@@H]1C 1706626232 FYVMTJFLBFOZKK-GHTZIAJQSA-N 467.574 1.587 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN(C)Cc1ccccc1 1706870725 HPLQEDOGYXHPOS-LAUBAEHRSA-N 463.583 1.852 30 10 JDEE CCN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)CC1)S(C)(=O)=O 1709975281 DEAUNLTXXYVXDK-UHFFFAOYSA-N 469.575 1.244 30 10 JDEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)CC1 1710046260 AYZFFHOGRKBZSI-UHFFFAOYSA-N 480.617 1.676 30 10 JDEE CNC(=O)C(C)(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1711289496 CGBALIFVDAGQPV-MRXNPFEDSA-N 478.557 1.737 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1CC(=O)NCC(F)(F)F 1712442499 AAANPBDRTIOSSP-KRWDZBQOSA-N 466.464 1.985 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722360733 VPNCZHAPXMFVRL-GOSISDBHSA-N 477.974 1.084 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(C(N)=O)CCOCC1 1722392015 COBRJUGTOSAIFM-UHFFFAOYSA-N 451.527 1.707 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCC[C@@H]2C)CC1 1722443643 LTQNTBRHYBCCSK-CYFREDJKSA-N 458.607 1.380 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1C[C@H](C)O[C@@H](C)C1 1722446220 BEQHZNAIMHUPMS-PMACEKPBSA-N 493.612 1.777 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)CC1CC1 1722485168 MMPKURLBIWQRTG-HNNXBMFYSA-N 478.413 1.382 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1722494234 NTBQUBUFHCAJMR-AZUAARDMSA-N 494.662 1.794 30 10 JDEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722548276 YQZJVIZFJMVARD-UHFFFAOYSA-N 460.922 1.600 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1722608825 MMCYSLOWEATGTD-HNNXBMFYSA-N 474.591 1.918 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1722701216 JLKRZKKXQCGAGH-IBGZPJMESA-N 452.559 1.575 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC(=O)N(C)[C@@H](C)C2)cc1 1722705374 XQZSZPXEXLMVQP-FUHWJXTLSA-N 459.572 1.460 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1722719939 CNYYJVWDSGLFMR-MSOLQXFVSA-N 451.618 1.993 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1722750168 LGAJOEJVYCDFPL-RBUKOAKNSA-N 477.543 1.838 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c(c1)OCCO2 1722867844 IBRXBESZOQRBSZ-OXJNMPFZSA-N 490.586 1.221 30 10 JDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCC[C@@H](C)C1 1729068611 ABRZQEPQHSBTRH-MOPGFXCFSA-N 453.595 1.923 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2ccnn2C)CC1 1729221058 HNEGFZGRZMXTMO-UHFFFAOYSA-N 468.587 1.874 30 10 JDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1740615841 MEBOFCYESIBYJX-QAPCUYQASA-N 479.990 1.523 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740619443 OPNWOJAYKQRTEK-QFBILLFUSA-N 493.552 1.051 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(COC)c1)[C@H]1CCS(=O)(=O)C1 1740628645 ZIRIRMIZTHMOAX-UXHICEINSA-N 492.623 1.002 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCN1CCCO 1740639993 YLKWLUZOAFRKDD-JOCHJYFZSA-N 462.602 1.372 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1740695125 FXTMULQMVNCHGV-LJQANCHMSA-N 463.508 1.667 30 10 JDEE C=C(Br)Cn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@]1(OCC)CCOC1 1740748735 JXZMOWWUOGBHAE-IBGZPJMESA-N 483.367 1.359 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cccn2)CC1 1740752521 XNLDJSMGIAIDRP-IHPCNDPISA-N 477.635 1.983 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCOC[C@H]2OC)CC1 1740840196 UGYGCQYBPWAUBR-CEXWTWQISA-N 469.608 1.065 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1740952106 VCRYNIZRPOHEFZ-KRWDZBQOSA-N 488.614 1.883 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC(=O)NC(C)(C)C 1740953311 BPFJJVGLEZSZRD-UHFFFAOYSA-N 452.357 1.689 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2C2OCCO2)C1 1740972510 JKFLAIRIRYFCMG-FUHWJXTLSA-N 477.587 1.763 30 10 JDEE CC(C)(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1741144946 HCIAIQBXXXUELT-UHFFFAOYSA-N 458.588 1.946 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)C(C)(C)C)c1 1747600801 GGSJUJDLXXENRW-JOCHJYFZSA-N 491.593 1.800 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)N1CCN(c2ccccc2)CC1 1748690742 WUGWOIOHAIIBDG-QTEQDKRBSA-N 466.586 1.809 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1748736347 ZDQMKKNCLKCXHH-LJQANCHMSA-N 499.597 1.082 30 10 JDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CN(CC(C)C)CCO1 1748771640 MKCSBAHXXRKFJB-LJQANCHMSA-N 473.647 1.973 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1748805838 WXMIQTIBMXHUFV-CVDCTZTESA-N 474.583 1.699 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCC1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1748817562 MJWHRCROJBWFRE-LEWJYISDSA-N 463.648 1.921 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1748817690 OGPNCQCQIYTANV-ROUUACIJSA-N 486.660 1.260 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748819063 JUEFJWGXMMSNIL-OAHLLOKOSA-N 487.479 1.313 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(OC)cc1 1748860131 WOACYPMTTXOWSX-OAQYLSRUSA-N 485.610 1.670 30 10 JDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](OC)C(C)C)CC1 1748986731 IPLIQMFDDFWKTO-LJQANCHMSA-N 459.620 1.664 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)c2ccccc2)CC1 1749001722 ZVYXTNHALWGKIH-DEOSSOPVSA-N 452.559 1.290 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCN2CCOCC2)CC1 1749006585 STYYTCFGTRMSJK-UHFFFAOYSA-N 496.612 1.650 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCc2cccc(C(N)=O)c2)CC1 1749017055 UPOLYBOBHYPNKM-UHFFFAOYSA-N 471.565 1.571 30 10 JDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1749452364 XEOAHFSQTLPTEJ-DENIHFKCSA-N 453.591 1.922 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCN(C)C1 1749540737 ASGUYTXDEJANTC-IIBYNOLFSA-N 466.583 1.287 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1749609289 MBZNZTRVLHJMKI-INIZCTEOSA-N 464.555 1.911 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1749670727 VEHQMUBNCCJYBB-BXKMTCNYSA-N 489.621 1.657 30 10 JDEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)CC1 1750211080 CTVZUCHONHPUTN-UHFFFAOYSA-N 474.978 1.885 30 10 JDEE CC(C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1750641540 DILYYCXARQZTDR-JOCHJYFZSA-N 458.588 1.539 30 10 JDEE Cc1nccnc1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1751812412 DLFLTHZGDBKXIB-MRXNPFEDSA-N 454.560 1.738 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3CCCN3CCC(O)CC3)CC2)c1C#N 1751827559 GXKWVGWXZGNWSN-UHFFFAOYSA-N 483.665 1.954 30 10 JDEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1760150515 YZZNMCYJUOHIMM-UHFFFAOYSA-N 470.961 1.519 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CCCNC(=O)c1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1760190485 RGFUASQCNWTHPS-LJQANCHMSA-N 471.583 1.383 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C\c1ccccc1 1760249890 UTXZGNOYNBBQDO-WUQYLLKWSA-N 459.572 1.410 30 10 JDEE C#CCSCCn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760286777 VGRUJANPFPSWBE-PKTZIBPZSA-N 490.630 1.500 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1760483504 RLFANUABWCOJHT-PKTZIBPZSA-N 494.589 1.812 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760505995 WZUXSVALNHGERM-CEXWTWQISA-N 453.609 1.973 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCCN(c2ccccc2)CC1 1760554191 VFFCGZSXQICTRC-UHFFFAOYSA-N 455.588 1.996 30 10 JDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC(=O)N1CCOCC1 1760931866 BVFMMTHLNOANTB-KRWDZBQOSA-N 453.551 1.027 30 10 JDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1766249377 DURYEZOCOBRQKI-HXUWFJFHSA-N 492.628 1.866 30 10 JDEE CN(C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1768504872 GOJURIOBWWENMY-IBGZPJMESA-N 476.589 1.936 30 10 JDEE N#Cc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N3CCC[C@H]3C(=O)O)cc2)c1 1858978075 VPIUGQJNVVOULY-IBGZPJMESA-N 470.507 1.478 30 10 JDEE N#Cc1ccccc1NC(=O)[C@H](CO)NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl 1866623955 YDUZEKIOQWNWCY-IBGZPJMESA-N 476.942 1.871 30 10 JDEE CCCCCCCCCCN1C[C@H](C(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)CC1=O 1873017689 ZACZFOSBEBJRJF-HSZRJFAPSA-N 477.694 1.894 30 10 JDEE COc1cc(OC)c(CCC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c(OC)c1 1890449858 XVUQOVPYNRPSFM-UHFFFAOYSA-N 473.614 1.903 30 10 JDEE CC(C)(C)OC(=O)NCCONS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255798825 AABHFZCYUFAEJZ-UHFFFAOYSA-N 456.370 1.862 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255841604 FHLBFJHMWACFSY-CHWSQXEVSA-N 453.370 1.542 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)[C@H]2CS(=O)(=O)C[C@@H]21 2267098924 FNWIEQQTOVMWCC-UGUYLWEFSA-N 470.397 1.714 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCCN(Cc2ccccc2)C1 2267373023 XQMNRVYTVGUJFO-SFHVURJKSA-N 460.409 1.662 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267379453 YOBPPNQLGCIGGP-IRXDYDNUSA-N 468.381 1.556 30 10 JDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267470402 KAEBSOUTOCHVPO-UKRRQHHQSA-N 470.401 1.253 30 10 JDEE Cc1nc(S(=O)(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2267728479 WAUHISVCOKEXIX-AWEZNQCLSA-N 470.401 1.315 30 10 JDEE CC(C)(C)OC(=O)N1O[C@@H]2CCC[C@H]2[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268709576 LEWHHVUKZSLRJO-JHJVBQTASA-N 466.369 1.917 30 10 JDEE COc1cc(C(=O)N2CC(O)(CNC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2281980665 CVUNCRXAHQZQCY-UHFFFAOYSA-N 462.352 1.706 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2282337837 JPHOKVGQXJCXDR-SZNDQCEHSA-N 482.412 1.255 30 10 JDEE CCn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)nc1B1OC(C)(C)C(C)(C)O1 2282530609 WSGMSPJXZZAVKA-GDBMZVCRSA-N 464.372 1.302 30 10 JDEE Cc1nn(C)c(C(=O)NC[C@H]2COCCN2Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2282567411 NTZUCYXWIOOHFZ-IBGZPJMESA-N 454.380 1.659 30 10 JDEE Cn1cc(C(=O)N2CC[C@H](CO)[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282580004 NBYVBWKBVONGLJ-GDBMZVCRSA-N 464.372 1.067 30 10 JDEE CC(C)CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2282610786 BKAOUWFKAHDGLM-UHFFFAOYSA-N 463.388 1.832 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2282836211 HFCTVCDVXPTHFP-AWEZNQCLSA-N 485.416 1.040 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)CC1 2282858204 SZLLLBYEKQOLBG-AWEZNQCLSA-N 485.416 1.182 30 10 JDEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283072762 TZSHGHVBLAGNCC-RRFJBIMHSA-N 462.356 1.576 30 10 JDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(NC(=O)[C@H]2CNC(=O)CN2C(=O)OC(C)(C)C)c1 2283958349 YKWOCZIVJNOYMP-QGZVFWFLSA-N 459.352 1.968 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(NC(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2359263155 LEIHAGARMMEZHJ-HKARXFIJSA-N 459.352 1.935 30 10 JDEE CC(C)(C)OC(=O)N1CC([C@H]2C(=O)NCCN2c2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2379879192 JYZIGMRPIYEWTA-SFHVURJKSA-N 458.368 1.553 30 10 JDEE CCn1cc(C(=O)N=c2[nH][nH]cc2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2380503600 SLUMLTDLMDANLT-UHFFFAOYSA-N 460.344 1.624 30 10 JDEE C#CCN(Cc1cnc2nc(N)nc(N)c2c1C)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 13448353 NXZWILPVWKKBOG-KRWDZBQOSA-N 491.508 1.185 30 10 JDEE CCCOc1ccc(N2C(=O)C[C@H](N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2=O)cc1 15463269 CQPTVRORHXYGOT-NRFANRHFSA-N 482.562 1.985 30 10 JDEE NC(=O)[C@H]1CCN(c2ncc(C#Cc3c(Cl)ccn(N4CCc5ccccc54)c3=O)cn2)C1 89209901 IQRYWALNWKLAHT-SFHVURJKSA-N 460.925 1.829 30 10 JDEE C=CCN(CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)Cc1cccc([N+](=O)[O-])c1 503239158 CPUZZPXAFFRPMK-UHFFFAOYSA-N 450.503 1.608 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N[C@@H](C)c3ccccc3)c2)CC1 512705449 KEIGRGHHLZZWKS-IBGZPJMESA-N 470.595 1.786 30 10 JDEE C#CCN(C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)[C@H]1CCS(=O)(=O)C1 729331246 KXTWWZYZMCDTMV-SFHVURJKSA-N 467.385 1.950 30 10 JDEE C#CCN(C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)[C@H]1CCS(=O)(=O)C1 729331296 BBQDGQCVWCZEJT-AWEZNQCLSA-N 470.477 1.008 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(CC(=O)N(C)C)CC(F)(F)F)nnc12 918647531 HKTDMJQHAZYKMX-UHFFFAOYSA-N 482.488 1.801 30 10 JDEE C#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1)C1CCOCC1 1131257327 NZYZGYBEHIOPLP-QGZVFWFLSA-N 452.529 1.402 30 10 JDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C1CCCC1 1161439964 CIQKFCAIQXRGPL-IEBWSBKVSA-N 451.568 1.595 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OCCCC 1286296229 NHOYCITZLWJYAQ-IEBWSBKVSA-N 476.603 1.691 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1286350085 USECWKJAVOTUMW-MRXNPFEDSA-N 455.540 1.326 30 10 JDEE C#CCCCn1c(N2CCN(CC(=O)NC3CCCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1286360371 SRZHUWDMILKJTO-RUZDIDTESA-N 472.634 1.915 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@H]2CCCS(=O)(=O)C2)n1 1286472490 YLQFOCVPTIOVQP-LJQANCHMSA-N 483.598 1.648 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(C)CCCO2)CC1 1286473527 OPFXCCOMRKLCJR-HSZRJFAPSA-N 472.615 1.520 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](C)COC)CC1 1286473938 WGTXBWYKBGEFLC-SFHVURJKSA-N 460.604 1.233 30 10 JDEE C#CCSCCn1c(-c2cccn2C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1286504030 LYKSZRNFPLTOEH-WIYYLYMNSA-N 455.632 1.639 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC[C@@H]1C 1286523178 QXNQBHJFODMMBH-SXWKCWPCSA-N 478.663 1.868 30 10 JDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(=O)COC)CC1 1286537749 CYMUFJYAOYRVLD-UHFFFAOYSA-N 481.351 1.646 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1286782075 JONJOWJNFPKUCT-MOPGFXCFSA-N 459.572 1.799 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 1286786776 ZNMNGXGNFMOLQA-AEFFLSMTSA-N 453.547 1.187 30 10 JDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)cc1 1295556558 GASDONZUPBASAZ-IBGZPJMESA-N 453.586 1.326 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1300380763 HRXFPLRJZKWVBC-GOSISDBHSA-N 452.563 1.376 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300502757 WRRJTASKXNQLJG-LJQANCHMSA-N 497.625 1.921 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1COCCO1 1300671216 FDHJTBVNLOHOAW-ZWKOTPCHSA-N 465.551 1.088 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1300699255 ABGGZAXVDRVGMA-TZIWHRDSSA-N 474.606 1.377 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(OCC(N)=O)c2)CC1 1300712148 NHADAXDBJPRYKG-UHFFFAOYSA-N 452.559 1.454 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1300929203 ZVUJDJQZWIZJRJ-CABCVRRESA-N 452.585 1.293 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCn2cc(C)nc21 1301402197 CQKNTDZSXYUTGO-RTBURBONSA-N 475.619 1.872 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)O[C@H](CC)C1 1301497131 PEACVHFJPLLTMJ-JKSUJKDBSA-N 461.592 1.544 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1301506693 OTGKVQMVYBGAEE-GOSISDBHSA-N 479.589 1.956 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccco2)C1 1301568232 FAVLJBSAFBVYJS-CABCVRRESA-N 457.578 1.076 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1301593577 PXPKMSCWBUXISQ-JOCHJYFZSA-N 457.556 1.946 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)[C@@H](C)C1 1301758662 KMIKFECDCMRFPV-HJPURHCSSA-N 451.531 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C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 1705504953 GSGWGXNGZMZPNU-IBGZPJMESA-N 495.609 1.621 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1705631880 CVXRCNZXOJCCQB-UHFFFAOYSA-N 490.543 1.179 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C(=O)OC(C)(C)C 1705884504 QDIQPDVWLXPFTI-INIZCTEOSA-N 457.597 1.686 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C)ccc2C)CC1 1705897556 OFELNILQEJDFPM-GOSISDBHSA-N 475.619 1.134 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(N(CC)CC)CC1 1705901045 YPRKHHMUELTGEQ-UHFFFAOYSA-N 488.662 1.851 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CCCO2)CC1 1705936785 YITNZMHNPOOPLH-ZWKOTPCHSA-N 472.633 1.176 30 10 JDEE CC(=O)N1CCN(CCn2c(N(C)C[C@H](C)C#N)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 1706004647 SVBWRXHAFKQZIX-RLLQIKCJSA-N 488.637 1.809 30 10 JDEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)C1 1711437823 HOBIMPUFLPKYCC-IBGZPJMESA-N 487.582 1.943 30 10 JDEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(OCC(F)(F)F)c2)CCO1 1712883888 BQAPLNMEKDGZTG-WBVHZDCISA-N 485.488 1.898 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1722360039 RGTOBWSNIRDSPD-JOCHJYFZSA-N 495.653 1.469 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2noc3c2COCC3)n1CCS(C)(=O)=O 1722419455 AWLRSUSZYKQUOJ-UHFFFAOYSA-N 459.503 1.829 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(F)c1)N(C)C 1722429113 NTVYDXBKMVOMFA-AZUAARDMSA-N 463.579 1.708 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC(=O)N(C)CC)CC1 1722437731 WINKELVTBLAGRD-UHFFFAOYSA-N 473.622 1.626 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)CN(C)C)CC1 1722450093 XEUUSUDZEQWIOQ-UHFFFAOYSA-N 454.623 1.693 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2noc(C3CC3)n2)C1 1722451766 NUGCQPOXIYYUQJ-GOEBONIOSA-N 479.632 1.899 30 10 JDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1722460244 WRQMYVPQYCDGIH-QFIPXVFZSA-N 482.654 1.977 30 10 JDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1722628660 YMCTWKPMXWOYBY-WOJBJXKFSA-N 473.622 1.345 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1722629969 QVXWIKBYTQEMHF-IBGZPJMESA-N 491.589 1.761 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1722700892 YCGCUHJJYIIEMA-LJQANCHMSA-N 452.559 1.771 30 10 JDEE CC(C)NC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1723630531 AODGNBYQYVMOLC-UXHICEINSA-N 486.598 1.544 30 10 JDEE C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N)N1CCc2ccccc21 1723777731 APYJJLFLJWDNGC-LVCYWYKZSA-N 487.630 1.801 30 10 JDEE CN(CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)C(=O)OC(C)(C)C 1729535501 HWUMEOXXYKNPKP-UHFFFAOYSA-N 469.546 1.922 30 10 JDEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCN(C(C)=O)C2)cc(OC)c1OC 1729971894 AEIXNWQMBWCORK-HKUYNNGSSA-N 484.557 1.958 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c(c1)CCO2 1740549707 GPOIPSGYNMZTQD-UZLBHIALSA-N 459.572 1.247 30 10 JDEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740578985 NUCSRLNFZLOREE-ROUUACIJSA-N 485.589 1.301 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1740615431 DPUGJSRLTOGTEV-HOTGVXAUSA-N 492.652 1.401 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccc(Cn2cccn2)cc1)[C@@H]1CCS(=O)(=O)C1 1740627970 MAKUXJIHQKNZCN-OAQYLSRUSA-N 468.583 1.734 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1740681696 TZNQRQBSYGRPAJ-KRWDZBQOSA-N 462.572 1.873 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)CC)C1 1740751684 NPEXUOBCYBTNSJ-VXNCWWDNSA-N 468.624 1.365 30 10 JDEE C=C(Cl)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740812661 GSXBHFYNTDEWCK-UHFFFAOYSA-N 458.950 1.579 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCS(C)(=O)=O 1740921454 UVOCKNOOXYQCAM-QGZVFWFLSA-N 470.592 1.947 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1740944496 MLIXCXADZVETAZ-IBGZPJMESA-N 458.588 1.277 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1740951163 RGLRAMASVWIRQE-UHFFFAOYSA-N 462.942 1.210 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1740987880 NRLNPNDHPMTELX-NRFANRHFSA-N 460.560 1.933 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1740991495 XTPVSYGSOIUEBB-UHFFFAOYSA-N 489.646 1.916 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](C(=O)OC)C1 1740992291 DGDPWEJRQHICIF-MRXNPFEDSA-N 458.544 1.117 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1740997185 WPKDERBXQSVWPW-HNNXBMFYSA-N 458.654 1.502 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccnc1OCC(F)(F)F 1741924632 BTSZIDSYQMZODS-PXAZEXFGSA-N 491.471 1.715 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)CCCO2 1748671048 GBVYUCZUOWEZKW-UZLBHIALSA-N 459.572 1.442 30 10 JDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN(C)CCOC 1748788345 AYIYZFOEZBGDCZ-GOSISDBHSA-N 450.584 1.624 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1748804996 MRPPFJUNLBWXFK-HFMPRLQTSA-N 493.674 1.677 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1748807678 BAUXQNYYOXFLDO-SFHVURJKSA-N 480.612 1.402 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CCCCC1 1748963900 CXNOOYUGOKJTBY-SIKLNZKXSA-N 483.635 1.028 30 10 JDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NCC)CC1)c1ccccc1 1749242231 GJPHETLMUQRAJI-KRWDZBQOSA-N 461.592 1.453 30 10 JDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1749557262 HBTOBHMJKGULPY-UHFFFAOYSA-N 458.588 1.991 30 10 JDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C[C@@H](C)O1 1749575389 APHJFVPGBDFMEC-AUSIDOKSSA-N 497.600 1.133 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1749677738 JGGZHYVKYOBPMJ-GOSISDBHSA-N 498.613 1.291 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCCS2(=O)=O)C1 1749698679 WDHSVOCSHYXPCU-RXVVDRJESA-N 469.608 1.136 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCS(=O)CC1 1749726150 YHZLRZJQBCWXKJ-UHFFFAOYSA-N 484.600 1.140 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](c2ccnn2C)C1 1749736963 UXXIVIZXBCIOEJ-SFHVURJKSA-N 455.588 1.982 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1749738369 KUDHJWIWJCCIHD-HOTGVXAUSA-N 492.627 1.118 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ncccc1Cl 1760117894 VOBSJGFYANDRAN-GOEBONIOSA-N 468.967 1.196 30 10 JDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1760157726 ZYBVZTLFWZOEEF-OAQYLSRUSA-N 499.685 1.914 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCCN1CCC[C@H]1CO)[C@H]1CCS(=O)(=O)C1 1760184776 LXSYMNXLYJKZBH-GOTSBHOMSA-N 496.637 1.680 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCOC1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1760187895 LRLQMPDMFCYXKX-HKUYNNGSSA-N 463.604 1.595 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1760195133 XCIPELQKYIYKLV-ZWKOTPCHSA-N 478.619 1.608 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC(=O)NCc2ccco2)CC1 1760272108 ZFAKCABZXKSTLJ-UHFFFAOYSA-N 461.526 1.139 30 10 JDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1760438568 JNBXKAKCCNNZHW-MOPGFXCFSA-N 453.609 1.769 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1760530655 SFGQTODCLKUKNR-HKUYNNGSSA-N 475.619 1.704 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](CN2CCOCC2)C1 1760553299 AGSSXILYQNGFDN-LJQANCHMSA-N 460.604 1.408 30 10 JDEE C#C[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(O[C@@H]5O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]5O)ccc4[C@@H]3CC[C@@]21C 1848438532 DYBBEZHAELJFKW-OLFAYZRZSA-N 472.534 1.178 30 10 JDEE N#Cc1nnn(-c2ccc(Cl)cc2)c1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870155661 YSRBXTXYFPREQU-UHFFFAOYSA-N 451.786 1.935 30 10 JDEE CC(C)N1C(=O)CS[C@H](C(=O)NCc2ccnc(N3CCOCC3)n2)[C@@H]1c1ccc(C#N)cc1 1889422827 VMTRQAKGXITQTB-VXKWHMMOSA-N 480.594 1.895 30 10 JDEE C[C@H](C#N)CS(=O)(=O)Nc1c(I)ncnc1I 2008292160 UETFMWWIQWJCLA-RXMQYKEDSA-N 478.053 1.587 30 10 JDEE Cc1nc(I)c(I)n1-c1nnccc1C(N)=NO 2028583205 HZKYEVWSBQKGFI-UHFFFAOYSA-N 470.012 1.274 30 10 JDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255748975 LTTSIMMHOCPCST-QWHCGFSZSA-N 458.390 1.299 30 10 JDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255770398 UEOXPDYOVDDXOY-ZDUSSCGKSA-N 476.426 1.553 30 10 JDEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267142890 AEBBCVYOPBFAPS-CQSZACIVSA-N 450.345 1.417 30 10 JDEE Cc1c(C(=O)N(C)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281804003 FUIFSRLSWTVIFO-QLPKVWCKSA-N 460.384 1.965 30 10 JDEE Cn1ncc(C(=O)N=c2nc(CCNC(=O)OC(C)(C)C)[nH]s2)c1B1OC(C)(C)C(C)(C)O1 2281821176 LYTKVYGOFNPWPP-UHFFFAOYSA-N 478.384 1.312 30 10 JDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2281972437 MDHRQTCUNFTNBY-HNNXBMFYSA-N 463.388 1.000 30 10 JDEE Cn1nc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CO)C2)cc1B1OC(C)(C)C(C)(C)O1 2282059364 HZQJERBCUZLNQM-LSDHHAIUSA-N 464.372 1.067 30 10 JDEE CC(C)(C)OC(=O)N1CC(CO)(CNS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282350239 KINFAXLWNIMZGG-UHFFFAOYSA-N 482.408 1.494 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C23CC3)n1 2282489968 IEZIJXWHLOIYPT-OAHLLOKOSA-N 482.412 1.540 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CCC2)n1 2282500418 XXMJFKBHKGVTSY-INIZCTEOSA-N 484.428 1.691 30 10 JDEE COC(=O)C1(NC(=O)c2c(C)nsc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2282578919 XXFSGSLRMCOSDC-UHFFFAOYSA-N 481.380 1.643 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H]1O 2282620449 FPKAESRHJMKSAS-FVQBIDKESA-N 462.356 1.170 30 10 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1588857516 OXGBSAJGZLNRBQ-QFIPXVFZSA-N 466.630 1.795 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccccc2C)CC1 1588923859 OJJYCIPERIQLIA-QUCCMNQESA-N 464.570 1.971 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2cccc(C)n2)CC1 1588929627 DSVKZFQZJFKTED-HXUWFJFHSA-N 484.626 1.482 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](C)N2CCN(c3ccccc3)CC2)CC1 1588968524 MQOHMHFQVRUURC-JOCHJYFZSA-N 493.656 1.991 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1589559999 WJBQVLIOBBRKDY-SBHAEUEKSA-N 460.604 1.763 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 1593696327 NNOZNKSVGSLJOV-KRWDZBQOSA-N 474.591 1.074 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1595477651 XBTIAYWMNOKQQN-HOCLYGCPSA-N 467.979 1.997 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1595522662 HWMNZBSROJSHLN-UHFFFAOYSA-N 478.513 1.886 30 10 JDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1595569219 CJWNRUIJMBGOEZ-ICSRJNTNSA-N 457.623 1.350 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccnn2)CC1 1595648681 GRVHWZJHOMXMTI-SFHVURJKSA-N 498.613 1.618 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1595766418 QCGLKCBEMSJJLI-FXAWDEMLSA-N 490.586 1.611 30 10 JDEE CN(CCO)S(=O)(=O)c1ccc(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1 1638375045 CJLUDDIHFPMIEM-UHFFFAOYSA-N 453.524 1.502 30 10 JDEE CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1CC[C@@](F)(C#N)C1 1645296332 DXYNTIZHFYQXPE-HXUWFJFHSA-N 454.524 1.371 30 10 JDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 1648890060 YDWWUOPVLHMZKK-OAHLLOKOSA-N 453.005 1.753 30 10 JDEE COc1cc(C#N)ccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 1659444226 AQICBMCMESDYPS-UHFFFAOYSA-N 455.945 1.915 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1 1667956691 QNLOMSXKGBZDPL-QAPCUYQASA-N 458.606 1.723 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1689983832 HZCMEYVSZTUHAH-SBUREZEXSA-N 476.599 1.996 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCCCC1 1689999652 FTOCJHZSOJJLDB-FQEVSTJZSA-N 468.627 1.995 30 10 JDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCN1CC 1690101224 SOLSTPXZWHNRDJ-SFHVURJKSA-N 459.620 1.809 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCCOC2)CC1 1690124144 GIOAGKMOTGTEFU-PMACEKPBSA-N 474.606 1.768 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(C(N)=O)CCCC2)CC1 1690133320 BRCXQWPFMKZFQT-UHFFFAOYSA-N 452.559 1.667 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1690137669 GIFREJNFZNNDON-OWAUWMPXSA-N 473.618 1.836 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CN(Cc2ccccc2)CCO1 1690190455 VLVKKBQIJZSJQT-XZDHIHRUSA-N 486.642 1.781 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1690265715 SVARKKDDDCMSCX-UFYCRDLUSA-N 498.694 1.901 30 10 JDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690509960 OLGTVZCVMMKRAF-FQEVSTJZSA-N 453.547 1.623 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCNC(=O)[C@@H]1CC 1690661821 IJJZWPRYNOORIQ-HNNXBMFYSA-N 465.327 1.864 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1705526252 HRJNVGOWLLEDIB-QGZVFWFLSA-N 458.588 1.666 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1705563404 WTVWOHZSBVCLAO-NRSPTQNISA-N 453.568 1.995 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1705567264 VDNDKPHJDVFVIC-SFTDATJTSA-N 490.651 1.830 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1705567879 BITHBKVNSOBLKZ-RDPSFJRHSA-N 487.626 1.167 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705568306 KNAHSRNDJOXFDD-QGZVFWFLSA-N 491.639 1.713 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705697184 STIXXYUXLVWACD-HBFSDRIKSA-N 494.639 1.953 30 10 JDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)c1ccccc1 1705741577 TUEQAKUJSVVTIC-DYESRHJHSA-N 479.628 1.617 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)CN2CCCC2)CC1 1705768829 BBNBJGIWQNYZQQ-RTBURBONSA-N 452.625 1.499 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)CC1 1705791745 CTOQZYJFAIMBIK-LJQANCHMSA-N 468.668 1.991 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1705805217 BTAITGWHGBAULW-WEMPKCCASA-N 483.635 1.740 30 10 JDEE CC(C)(C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1706094488 BZUWECFUYYSABF-NRFANRHFSA-N 492.628 1.975 30 10 JDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)CC1=O 1706505192 BCKHMGQARYMLNJ-UHFFFAOYSA-N 458.526 1.664 30 10 JDEE CCn1cnnc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1710193938 FETVQIKMQYLYNU-INIZCTEOSA-N 455.910 1.250 30 10 JDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1722323021 ZGWAWRPHICOHEB-UHFFFAOYSA-N 455.607 1.452 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1722359396 MCCRPKYGMBCBME-HXUWFJFHSA-N 461.551 1.785 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1722364146 JNJPJYVOKGMRRP-DCLXLUIPSA-N 488.610 1.813 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2(O)CCSC2)CC1 1722433077 KPXFGVUZNPMLME-LJQANCHMSA-N 465.421 1.669 30 10 JDEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722484157 PBNWUHAJLHCIOC-UHFFFAOYSA-N 474.363 1.520 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nccs1 1722538133 UJLCFAYDIRVYRM-OAHLLOKOSA-N 456.594 1.297 30 10 JDEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1722602389 ZFTIVUCJJYYRNE-UHFFFAOYSA-N 457.564 1.359 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1722690052 DOUAGCHCNOFKKC-GOSISDBHSA-N 490.568 1.951 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1722700924 ZCLIKNAYZQVJMM-UHFFFAOYSA-N 480.617 1.137 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCS(C)(=O)=O 1740549230 KRPBIFTYBFTOSA-INIZCTEOSA-N 456.572 1.958 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1Cc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 1740616132 TUNMZIKNJJBQHJ-ZWKOTPCHSA-N 457.556 1.047 30 10 JDEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1740619471 OZAIBYHSUJVQKD-QZTJIDSGSA-N 497.415 1.996 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OCC)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1740627930 LPPIHBUIUSYNAC-KRWDZBQOSA-N 462.572 1.653 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1740629661 VLZBDJOBKJVVSF-NSHGMRRFSA-N 460.556 1.383 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCN(C)C)cc1 1740639429 BKOQEHUFECKXEG-FQEVSTJZSA-N 455.584 1.242 30 10 JDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740781974 PVNGIUKHUGCXKY-HNNXBMFYSA-N 457.560 1.286 30 10 JDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)c1ccccc1 1740797427 OVGQSZGPEISGGU-XMMPIXPASA-N 465.558 1.944 30 10 JDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1740875095 RIJLRETTWMFYDJ-UHFFFAOYSA-N 457.560 1.240 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC1 1740923835 WVBLRGOKSVQCBG-FUHWJXTLSA-N 467.617 1.902 30 10 JDEE C=CCNC(=O)Cn1c(N(C)CC(=O)NC(C)C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740966073 VVEGVXZLUXBUNV-IYBDPMFKSA-N 463.583 1.312 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(CCOC)C(=O)C2)cc1 1740967344 DJIURULCHSGNLN-LJQANCHMSA-N 489.598 1.088 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(c2cnn(C)c2)CC1 1740993332 XYBUHTHZRSNZPE-UHFFFAOYSA-N 455.588 1.982 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1740994776 WWCGMEUOJOSLRG-IAGOWNOFSA-N 466.491 1.711 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1740995012 XIQYSNULWBEFLB-INIZCTEOSA-N 489.627 1.598 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)c1ccccc1 1741130945 CLHMLQFTMQZSPR-PKOBYXMFSA-N 461.592 1.343 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)OCCc2sccc21 1748671576 LASKFBMOLLHNMR-XPIZARPCSA-N 479.628 1.619 30 10 JDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1748714481 IZPUEJYASJUXHA-GOSISDBHSA-N 462.576 1.616 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1748820098 ZDKMTWZUEANYTF-MSOLQXFVSA-N 497.668 1.228 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1748825531 YQWWRNAJZBXRIG-HSALFYBXSA-N 482.585 1.611 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748944526 ZVYUZZYHEHTIDP-GOSISDBHSA-N 469.546 1.796 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748944652 ARXIJBUJJBDYNA-PKOBYXMFSA-N 474.562 1.290 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)COCCO1 1748965009 OQJAKAYFLAHSEC-JPYJTQIMSA-N 479.578 1.478 30 10 JDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCCN2CCCO)CC1 1748999530 ZNIFOAUNUUKLCS-QFIPXVFZSA-N 452.603 1.768 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCN(CC)C2)CC1 1749016057 YDDCSBDCSMJKJS-SFHVURJKSA-N 483.642 1.577 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1749039622 XUEKWSSZXRWNIV-QGZVFWFLSA-N 469.633 1.461 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@]2(CCOC2)C1 1749215939 GXYRVDXZANZJQE-HSZRJFAPSA-N 491.614 1.784 30 10 JDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1749454672 LBLJXHMPPSFFIN-UHFFFAOYSA-N 450.547 1.697 30 10 JDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1749467657 WPIXMEXCXVEQCI-MRXNPFEDSA-N 481.648 1.450 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCS(=O)(=O)CC1 1749658244 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C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCCC(=O)NC2CC2)CC1 1760271858 OZSNBMNPJYUFLF-UHFFFAOYSA-N 454.600 1.955 30 10 JDEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)NC[C@H]2C1 1760274551 PQRPWRIXDCJRQW-ZDUSSCGKSA-N 450.366 1.616 30 10 JDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1760346096 IFIGCXCNTKDOLB-GOSISDBHSA-N 488.680 1.245 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cn[nH]c1 1760481366 UQYNURVSGKHVHH-HXUWFJFHSA-N 471.587 1.769 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(F)c1 1760505042 IXXGPYLYZYQZLK-GOSISDBHSA-N 471.530 1.576 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 1760549391 DDLHXUVZKBSJBI-MSOLQXFVSA-N 486.539 1.835 30 10 JDEE COCC[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1769539977 AYSIMCXACVFESI-XMMPIXPASA-N 469.590 1.398 30 10 JDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C[C@H](C)O1 1770960305 HHUZSVZFPQUDPL-LPHOPBHVSA-N 463.560 1.404 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1772660040 LANSOENEVVYLSO-HNNXBMFYSA-N 489.019 1.831 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1772660261 OUUFQKLWZKNQQT-OAHLLOKOSA-N 451.574 1.287 30 10 JDEE N#Cc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N3CCC(=O)CC3)cc2)c1 1858988032 YIZQJMBGVXREGK-UHFFFAOYSA-N 454.508 1.594 30 10 JDEE O=C([C@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1)N1CCN(c2ncccn2)CC1 1869929320 GFTRROOINUFFQH-HXUWFJFHSA-N 462.535 1.605 30 10 JDEE C=CCN(CC=C)c1nc(=NCCOCCO)[nH]c(=Nc2ccc(OCC)c(OCC)c2)[nH]1 1871596652 NRJAUFGXUCZYNO-UHFFFAOYSA-N 458.563 1.856 30 10 JDEE C=CCN(CC=C)c1nc(=NCc2ccc(S(N)(=O)=O)cc2)[nH]c(=Nc2cccc(N(C)C)c2)[nH]1 1871616851 YFONPJPGYJYGFU-UHFFFAOYSA-N 494.625 1.963 30 10 JDEE C=CCn1c(C(=O)NCCN2C(=O)CSC2=O)cc2c(N3CCC(N(C)C)CC3)ncnc21 1873595970 AKVUCSKJHMHGNH-UHFFFAOYSA-N 471.587 1.573 30 10 JDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874432625 PJSSRZRQJIJEOW-ODCIPOBUSA-N 453.912 1.976 30 10 JDEE CC1CCN(S(=O)(=O)c2ccc(C(=O)N(C)C3CN(c4nccnc4C#N)C3)cc2)CC1 1891864892 SEYKEPJJSNPEHZ-UHFFFAOYSA-N 454.556 1.730 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@H]1C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)CC1 2184063718 JZINAEOEGUMNGJ-OKZBNKHCSA-N 466.384 1.898 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2206161240 RMTFCXFVGYSJQT-KRWDZBQOSA-N 461.368 1.761 30 10 JDEE Cn1nc(C(=O)N=S2(=O)CCN(C(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2267126940 ONWVRIQPOODIKV-UHFFFAOYSA-N 468.385 1.578 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 2267269774 HGMZPWBULMXAHC-GOSISDBHSA-N 483.378 1.893 30 10 JDEE Cn1nc(C(=O)N[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267502439 NPQUYARPHGHGEK-DABQJJPHSA-N 466.775 1.968 30 10 JDEE Cn1cc(C(=O)N2C[C@H](F)C[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267503627 GOUSTZIJWDOAQV-ZIAGYGMSSA-N 452.336 1.797 30 10 JDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267721552 RWXJFCMDTMXQIY-HUUCEWRRSA-N 488.437 1.960 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267870906 JQXANFSQGZUGHM-ZIAGYGMSSA-N 450.320 1.853 30 10 JDEE CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2281931098 RNVLFVHHFNBCFV-JKSUJKDBSA-N 462.356 1.559 30 10 JDEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@H]2COC[C@@H]21 2281991250 XRGJFAGWNVZHRW-DZKIICNBSA-N 462.356 1.463 30 10 JDEE CN(C[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCO1)C(=O)OC(C)(C)C 2282016418 XSEMXGVQGINRQI-INIZCTEOSA-N 462.356 1.484 30 10 JDEE Cc1ccnc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2282574585 QOQCLQPHNIWNNC-JKSUJKDBSA-N 461.368 1.789 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CC(F)(F)C2)n1 2282653814 FZPHDJBHBQFODR-LBPRGKRZSA-N 471.314 1.489 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2283069669 RARQXARAEDSXFE-GJZGRUSLSA-N 460.340 1.236 30 10 JDEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)CNC(=O)CNC(=O)OC(C)(C)C 2283988014 PKEKLNCUGJMBTC-UHFFFAOYSA-N 463.340 1.574 30 10 JDEE C[C@@H](C#CC(=O)O)NC(=O)c1cc(I)cc(I)c1O 2341126637 DPFKKRJNDDYJNU-LURJTMIESA-N 485.015 1.808 30 10 JDEE CC(=O)O[C@@H]1[C@H](OS(=O)(=O)c2ccc(C)cc2)CO[C@@]2(COC(C)(C)O2)[C@@H]1OC(C)=O 33752040 MJMXIHAIFBPIKU-SOAMZJECSA-N 458.485 1.442 30 10 JDEE CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](C)C(N)=O 98183632 CRCPLBFLOSEABN-YSGRDPCXSA-N 456.543 1.415 30 10 JDEE C#CCN([C@@H]1CCc2ccccc21)[C@@H]1O[C@H](C(=O)OC)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 575416510 CCWDKVIEVCQLFZ-QMOXEECBSA-N 487.505 1.302 30 10 JDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCCSC 729669870 UVYRULJMCTWXNG-UHFFFAOYSA-N 455.609 1.730 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c1 742926859 CPPOZBLGXATNSO-UHFFFAOYSA-N 458.584 1.712 30 10 JDEE C#Cc1cccc(NC(=O)CNC(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)c1 918343596 HPVLZPRSRWGDDZ-UHFFFAOYSA-N 492.351 1.539 30 10 JDEE C=CCN(C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1nc(C(=O)OCC)cs1 920243573 SEODWDXJDLXCFR-LBPRGKRZSA-N 454.530 1.004 30 10 JDEE COc1cc(C=NNc2nc(SCC(=O)Nc3nncs3)n[nH]2)c([N+](=O)[O-])cc1O 1084535514 FZDZDUYWCSKUPY-UHFFFAOYSA-N 451.450 1.455 30 10 JDEE C=C1CCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)CC1 1214154505 BMZVHTOTWIFLJW-UHFFFAOYSA-N 450.561 1.728 30 10 JDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)N1CCSCC1 1286364413 CALVDDLTMVACHH-UHFFFAOYSA-N 471.612 1.783 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1286395073 QLGKLKOUUZEBTM-SFHVURJKSA-N 472.546 1.959 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(CS(C)(=O)=O)CC1 1286401454 QVBQLIINRFXCCT-UHFFFAOYSA-N 488.639 1.444 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)c1ccco1 1286422405 ZMNISAJUVQHLCO-UHFFFAOYSA-N 494.577 1.681 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C(C)(C)C)no1 1286445825 BWQZKJZJQLDJKF-MRXNPFEDSA-N 450.565 1.404 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(=O)N(C)C)cc1 1286446510 GXXXPQJVHSCQJR-LJQANCHMSA-N 489.602 1.212 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1286465410 MQYNKBWWQCWZOE-RTBURBONSA-N 452.559 1.850 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC=CO2)n1 1286470689 BGXPTPJAFRIMOR-UYAOXDASSA-N 474.587 1.356 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(OC)CCOC2)CC1 1286485375 JLERBGMAYSMDTR-GLDPYIMESA-N 474.606 1.610 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCS(=O)(=O)C(C)(C)C)CC1 1286490040 JYFVZBVIZZKECI-UHFFFAOYSA-N 460.604 1.463 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2nccs2)CC1 1286663157 HHAFEXBAZWIDGF-INIZCTEOSA-N 452.606 1.713 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1286712216 UNTCGVVVQAOPEW-GOSISDBHSA-N 480.660 1.860 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cn[nH]c1 1286745246 RKXVDFZOSANLMD-HXUWFJFHSA-N 489.577 1.909 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1286782178 MYOVKMYOYZPHMG-GOSISDBHSA-N 486.642 1.961 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286784620 OAMJEVWJNCGUJO-UHFFFAOYSA-N 462.576 1.022 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C 1286825944 ZWSYWDPNQWBRFE-INIZCTEOSA-N 471.624 1.906 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nc(C)ns2)CC1 1300363308 DOZUOOYYXYGOCL-KRWDZBQOSA-N 463.633 1.860 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1300480144 YFNBZKIMDHKMSR-LJQANCHMSA-N 494.577 1.940 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1300484879 UYGDOZJWPNBTQK-AWWSKVOZSA-N 480.631 1.497 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1300486959 CKBBKBGJCVRNIY-JMGYQRAPSA-N 455.005 1.994 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)N1CCCCC1 1300631262 OSKOAKZSDQJTCD-RTBURBONSA-N 452.625 1.335 30 10 JDEE C#CCSCCn1c(N2CCN(C(=O)c3ccc(O)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1300778088 LQILRNPIIUOQRO-XMMPIXPASA-N 485.610 1.965 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C)CC1 1301258467 TUBAEBMESOKDNI-SFHVURJKSA-N 461.592 1.198 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CN(C)C1=O 1301349833 SXBJQZPQSBNAAI-WMZHIEFXSA-N 488.614 1.282 30 10 JDEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1301436298 ZNFFRUGZLCHMST-UHFFFAOYSA-N 489.374 1.829 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccccc2C)CC1 1301520829 QINSYPSNGUXJTP-UGKGYDQZSA-N 454.575 1.939 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(CCc3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1301660039 HZZDIKXOMHEBKA-PWKIUMOWSA-N 491.596 1.894 30 10 JDEE CSC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CCC1 1316406414 FRIZBACWUPPCHH-MRXNPFEDSA-N 454.622 1.637 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1358948782 LDROXEMJJGCASM-ZWKOTPCHSA-N 496.634 1.328 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358964346 XPWUTMGDVJKCHY-UFYCRDLUSA-N 451.637 1.603 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCC2=O)cc1 1359000414 UVAFYVQZDMITGB-KRWDZBQOSA-N 458.588 1.519 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1359035656 AFYHFXUQSZCSMF-VGSWGCGISA-N 478.018 1.497 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2(O)CCSC2)CC1 1359045434 HGURDYDARWBQOD-QHCPKHFHSA-N 457.575 1.842 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1359047655 OKBXJFJCPFORTQ-QZTJIDSGSA-N 484.523 1.359 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1359298545 DCAAPLPINOTBOP-LJQANCHMSA-N 452.559 1.414 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1359300144 VFQYBBQTULFVFJ-ZACQAIPSSA-N 462.551 1.256 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CO)CC1 1359301308 WLFQANKRRAUYJF-QGZVFWFLSA-N 464.567 1.097 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](C(=O)NC3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359305955 RFMQELFGIMTJCJ-UZUQRXQVSA-N 460.579 1.116 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1359332321 UYVJCPUMTPAFHZ-VQTJNVASSA-N 494.662 1.253 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1359354212 DMXDJLZIQNTHGD-UHFFFAOYSA-N 453.547 1.654 30 10 JDEE CCN(CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCOCC1)S(C)(=O)=O 1502183775 CMKGAMFNIWLSQR-UHFFFAOYSA-N 462.576 1.627 30 10 JDEE COC[C@@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1504564406 BHWGPKYTQZTINE-LAUBAEHRSA-N 488.614 1.934 30 10 JDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)C[C@H]1OC 1505118610 FXGANGXVFGUKLZ-KDURUIRLSA-N 475.571 1.404 30 10 JDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507590069 BUDMZCGFULRNDX-UHFFFAOYSA-N 465.606 1.076 30 10 JDEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC=C)[C@H]1CCS(=O)(=O)C1 1507630752 GWBODWMUMZHZQH-INIZCTEOSA-N 452.540 1.488 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1507631211 CALBVDMVHPIBSR-ZWKOTPCHSA-N 463.604 1.453 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507639581 LDHYNPYEECUKQK-QFIPXVFZSA-N 485.654 1.801 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507639844 MNTYKYOEWIYZAH-FQEVSTJZSA-N 469.567 1.782 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C2CC2)cs1 1507710073 CFTKTXWCGHCVTH-QGZVFWFLSA-N 480.616 1.079 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCS(=O)(=O)NC(C)C)CC1 1507722109 ZQGVPTUDNBGYLY-UHFFFAOYSA-N 476.603 1.045 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](c2cccs2)N2CCOCC2)CC1 1507740920 HPNCFGSPPWYQJI-FQEVSTJZSA-N 486.642 1.915 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](c2cccs2)N2CCOCC2)CC1 1507740922 HPNCFGSPPWYQJI-HXUWFJFHSA-N 486.642 1.915 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1507934356 FEINCJWTKOXGMF-MOPGFXCFSA-N 483.635 1.742 30 10 JDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCNC2=O)CC1 1507935788 UQISCEJXPHWPCV-KRWDZBQOSA-N 450.609 1.921 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1508079004 MGDWWXOGCOPZDJ-ICSRJNTNSA-N 457.531 1.649 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCOC(C)(C)C 1508080081 JRKRNGSMJGRDAG-UHFFFAOYSA-N 463.608 1.792 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](OCCOC)C1 1508087592 CTEZZFFXXJWYID-MOPGFXCFSA-N 492.621 1.937 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 1508134529 GJAYPWHBSITUMV-HOTGVXAUSA-N 468.601 1.563 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1508146612 ZWWVJSHIMOYDMW-KRWDZBQOSA-N 475.571 1.051 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1nc2cccc(Cl)c2n1C 1510187951 BAEMCYOVHILXFP-BUXKBTBVSA-N 480.957 1.919 30 10 JDEE Cc1nc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)sc1C 1510419666 FXIZHHBBYXBNDJ-XJKSGUPXSA-N 467.621 1.523 30 10 JDEE CCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)CCOCC1 1513616113 GPCTXLBPFJYEJF-DLBZAZTESA-N 454.597 1.414 30 10 JDEE CCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)CCOCC1 1513616116 GPCTXLBPFJYEJF-IAGOWNOFSA-N 454.597 1.414 30 10 JDEE COc1cccc(C[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n2nnnc2C)c1 1522315863 DWKCMRHEWFRDBA-FCHUYYIVSA-N 459.510 1.957 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(=O)N(C)Cc2ccccc2)CC1 1539429556 AHNVGIJXOGRWDU-SANMLTNESA-N 480.613 1.733 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(OCC)c2)CC1 1539482312 SHYBJAXHQWYABK-HXUWFJFHSA-N 485.610 1.593 30 10 JDEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NCC)CC1 1539510208 GGVGNKYMAGRAFK-UHFFFAOYSA-N 494.625 1.893 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1539803747 MUSCMXQMRBITQY-CYBMUJFWSA-N 455.928 1.879 30 10 JDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1539812940 TWNJWLFGWLDONU-APWZRJJASA-N 464.014 1.532 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1540869095 BJTMMRAEDUZDRZ-KRWDZBQOSA-N 454.531 1.154 30 10 JDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1540910532 JKQYGXDQBHDUGO-KRWDZBQOSA-N 499.684 1.738 30 10 JDEE N#Cc1ccc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3OCC(N)=O)CC2)c(F)c1 1561204945 CRBLJTRLVRCEDN-UHFFFAOYSA-N 452.895 1.726 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588035625 WGRSWMZVWFZUTQ-PXNSSMCTSA-N 478.018 1.946 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCSCC1 1588078436 GYTYQFXXFLBGFI-UHFFFAOYSA-N 457.003 1.983 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1cccc(OC)c1 1588219538 VHXFDJNZMFVVKP-UHFFFAOYSA-N 474.521 1.907 30 10 JDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(NC(N)=O)cc1 1588628685 MVJHCHBEMUOBRH-UHFFFAOYSA-N 451.487 1.631 30 10 JDEE C#CCN1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2Cc2nnn(C)n2)CC1 1588856849 CSPKTMSMGUQFCC-UHFFFAOYSA-N 469.981 1.579 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCOCC3)nc2)CC1 1588885040 RDCKJQAKIBQUGR-UHFFFAOYSA-N 465.602 1.821 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(=O)NCCC)CC1 1588961683 IQYVDJIEUPILSH-UHFFFAOYSA-N 466.586 1.966 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1594679920 KBIGZGTUPRTHFN-GOSISDBHSA-N 496.659 1.756 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@H](C)O[C@H](C)C2)cc1 1595614476 VIJBFLKGDZCXMG-UEXGIBASSA-N 491.614 1.838 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1595812077 MOWCSGZNJCEPJO-SIKLNZKXSA-N 492.690 1.600 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCOC2(CCOCC2)C1 1595812465 VHMXCSFKMDBBAS-UHFFFAOYSA-N 476.599 1.864 30 10 JDEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C(=O)NC)C1 1595844855 IQFQBWASTPGDPN-CQSZACIVSA-N 455.382 1.906 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3snc(C)c3C#N)CC2)s1 1625441218 LWLNCXFXRCJZKM-UHFFFAOYSA-N 451.599 1.740 30 10 JDEE N#CCCN1CCN(C(=O)CN2CCN(Cc3ccc(Br)cc3F)CC2)CC1 1635905619 GDJBPCXXYHTZLC-UHFFFAOYSA-N 452.372 1.764 30 10 JDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)CC2)cn1C 1637816262 DCOPWNBQKLZMIE-FQEVSTJZSA-N 457.556 1.601 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN1CCOC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1689983068 ZZYIEFXWHZQVJT-HXUWFJFHSA-N 487.626 1.691 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1689984849 WXJVINBVLJBGAR-GUNSETOZSA-N 450.586 1.774 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1689986733 VYEROWHXLCGTDJ-QGZVFWFLSA-N 459.572 1.497 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(OC)CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1689987793 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C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1CC1(O)CCS(=O)(=O)CC1 1760481087 MSQMDJXOSDUWQO-UHFFFAOYSA-N 454.556 1.867 30 10 JDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)C[C@H]1OC 1771341673 FATIWZBVQMNUIU-YDVVPIMXSA-N 459.572 1.880 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCCN(c3ccc4nnc(-c5cccnc5)n4n3)CC2)cc1 1890670347 URGGKXCUODPSBE-UHFFFAOYSA-N 460.523 1.959 30 10 JDEE CN(CC#CCNC(=O)CNS(=O)(=O)c1ccc(Br)cc1)Cc1ccccc1 1891799624 KFFXILUTAWDZSZ-UHFFFAOYSA-N 464.385 1.979 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2206631258 WAGFSOQBECUBCF-USXIJHARSA-N 463.340 1.051 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CO)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247906026 WXENBOZZLFCIEN-LBPRGKRZSA-N 462.399 1.211 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CC(CB4OC(C)(C)C(C)(C)O4)C3)O[C@H]2C1 2265162534 YSVIEWZNTYSBMF-YESZJQIVSA-N 452.357 1.940 30 10 JDEE Cn1nc(C(=O)N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2267119897 BXSOMEDQOWQULG-SFHVURJKSA-N 484.362 1.487 30 10 JDEE CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267418595 KQMJIWGHTNLUNI-GOSISDBHSA-N 460.409 1.614 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268698498 AYMVFDTYKQYWFN-MPBGBICISA-N 468.385 1.660 30 10 JDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCCn2cc(CNC(=O)OC(C)(C)C)nn2)C1 2271495778 QDDYTUOQRMOUQV-UHFFFAOYSA-N 462.551 1.726 30 10 JDEE CC(C)(C)OC(=O)NCC(CO)(CO)NC(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2281777407 FPLHQTQJJJFATE-UHFFFAOYSA-N 484.786 1.617 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2281971147 IFOXBUZWRKVGFJ-HOTGVXAUSA-N 464.372 1.302 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCCOCCOCc1ccccc1 2282420811 FMWJMTGMVZZKNM-UHFFFAOYSA-N 480.396 1.016 30 10 JDEE C[C@H]1C[C@@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN(Cc2ccccc2)C1 2282497076 LGCOBNAZFWPAKD-PKOBYXMFSA-N 474.436 1.908 30 10 JDEE 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PEPFPHUYFHRSEC-IBGZPJMESA-N 465.575 1.683 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)CC1 680517314 MGUNUCPBCQOPNY-UHFFFAOYSA-N 486.594 1.864 30 10 JDEE CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)COC(=O)[C@H](C)Oc3ccccc3C#N)CC2)c1 914679903 KIBIWLCZBRXGHH-SFHVURJKSA-N 499.545 1.604 30 10 JDEE C=C(C)COCCNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1266071893 CUFRUOBRYWEAHQ-UHFFFAOYSA-N 450.561 1.236 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)N1CCOCC1 1286275483 SJBBMOIACUMVLJ-CMKODMSKSA-N 460.604 1.420 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCOC1 1286426037 HMNJXIUJAKOULK-RUZDIDTESA-N 460.538 1.679 30 10 JDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCCN1CCN(c2ccncc2)CC1 1286433481 VHNKAHITLJZQNO-UHFFFAOYSA-N 450.591 1.581 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCCCO2 1286457373 MZYAQQVQIPYYCO-MRXNPFEDSA-N 463.560 1.184 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286464026 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1286779728 KJBKWPZJWPSFRA-GOEBONIOSA-N 481.648 1.648 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](COC)C1 1286788418 WBTGJNIOSHNKDN-QZTJIDSGSA-N 478.594 1.546 30 10 JDEE CCN1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CCOC)CC2)CC1 1296205921 GMHTUCXIMWKCKI-UHFFFAOYSA-N 466.634 1.613 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H](C)CN2CCOCC2)c1 1300332426 FUHGFDBIENHDBE-LJQANCHMSA-N 474.569 1.760 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CC(=O)NCC(F)F)c1 1300333126 WQCGIYWBSQMEFU-QGZVFWFLSA-N 460.485 1.957 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1300380765 HUVDMRGSOLDNLG-UHFFFAOYSA-N 461.530 1.772 30 10 JDEE C#CCN(c1nnc(C(C)C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O)[C@H]1CCS(=O)(=O)C1 1300484176 OZMUFBQPKAFAJA-MJGOQNOKSA-N 461.563 1.512 30 10 JDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCC(F)(F)F 1300597514 KUFWYYIEFXHSLB-UHFFFAOYSA-N 456.856 2.000 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCC(C)CC2)CC1 1300700531 RUXOCLUQVXKHRS-NRFANRHFSA-N 462.664 1.448 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1300764308 WHRNDAVUQWENFH-DLBZAZTESA-N 480.685 1.886 30 10 JDEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1300768755 XVXVLFXDPUCMFG-UHFFFAOYSA-N 493.637 1.821 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1301223016 LFVLYZZDQQRMAF-HXUWFJFHSA-N 488.614 1.540 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC 1301405598 UAQBKLMVFFZGFA-INIZCTEOSA-N 470.596 1.314 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1301457856 DLRGTEVVADJDIY-QGZVFWFLSA-N 496.540 1.038 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1301490875 HGSLOLOJZQFBDZ-UHFFFAOYSA-N 482.633 1.499 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1301501289 UVKGWKHCUXVJGA-NVXWUHKLSA-N 462.576 1.319 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)C(C)C)CC1 1301502299 FYHPUJZTAWKTRE-IBGZPJMESA-N 454.531 1.397 30 10 JDEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CC1 1305641870 BGNALADWHDIVBZ-QUCCMNQESA-N 451.575 1.890 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1F 1358890339 OBHLLXVELRODGM-KDOFPFPSSA-N 451.524 1.265 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2Cc2cnnn2C)c1 1358901720 UYPTYIPHVGRGIE-HSZRJFAPSA-N 464.530 1.163 30 10 JDEE C#CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1358965878 CYPQHHWJWPFBKO-IBGZPJMESA-N 497.625 1.958 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(C(C)=O)CC1 1358972060 ROSNXJFCUPCMPF-UHFFFAOYSA-N 453.568 1.680 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)OC 1359016531 FLTVVTUTVKPUOW-VQTJNVASSA-N 479.578 1.815 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCC(OC)CC2)CC1 1359041335 TWLZEYQCGGHXTC-MUYFXNHWSA-N 480.635 1.059 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](OC)C(C)C)CC1 1359043710 FHKGCRGXBWFIQF-LJQANCHMSA-N 456.547 1.643 30 10 JDEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCCC(=O)NC 1359079254 DHXUCQHRHBFRQN-UHFFFAOYSA-N 460.340 1.792 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C)C(=O)C1 1359093083 JWELRZDZSWPWDO-GHTZIAJQSA-N 488.614 1.455 30 10 JDEE C=CCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359290832 RNOFYJPJKNZMAW-IYBDPMFKSA-N 456.551 1.822 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1359300516 DJFRDAUKNHBEMA-GOSISDBHSA-N 470.574 1.818 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1359300628 GUVMHNGJUBSXRQ-LPHOPBHVSA-N 492.602 1.119 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC=C(COC)CC1 1359301290 WDBALKCLOPBWAO-SFHVURJKSA-N 476.578 1.672 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)NCC)CC1 1359327426 AKNQSGPNKNLVDC-UHFFFAOYSA-N 492.602 1.415 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359330494 UDOVXZUKLVYRLD-UHFFFAOYSA-N 499.572 1.506 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1359333539 AVMYBUHCFSVWLG-IBGZPJMESA-N 460.604 1.023 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2CC)CC1 1464846129 HZTGPUJBFPXOBX-UHFFFAOYSA-N 452.559 1.514 30 10 JDEE C=CCn1c(S)nc2cc(C(=O)NCc3ccc(S(=O)(=O)CCO)cc3)ccc2c1=O 1467801310 YRHXOROFCFTOLN-UHFFFAOYSA-N 459.549 1.567 30 10 JDEE CCCn1nc(-c2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)NC)c2ccccc2c1=O 1501072942 DPBYMDVWIJYLFT-UHFFFAOYSA-N 484.586 1.354 30 10 JDEE COC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CCCCC1 1504053504 BKDFXYHOHKAVGC-VQIMIIECSA-N 470.571 1.402 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCC(C)CC1 1507539972 YCTDIOAHXVOYHV-UISNHOIMSA-N 453.609 1.664 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCC(=O)N2CCOCC2)c1 1507551808 ZOMJGOZMXXBUDX-HXUWFJFHSA-N 480.569 1.477 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1507589104 UIHAYSDLWYONRR-REWPJTCUSA-N 473.599 1.776 30 10 JDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1507601952 WQZUPZNXRBGCSO-QUCCMNQESA-N 460.604 1.340 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1507628835 YPRFGRGVDQCEKL-SFHVURJKSA-N 470.555 1.555 30 10 JDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507633492 GDOPJSJFZGLIME-XLIONFOSSA-N 487.582 1.286 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCOCC2(C)C)CC1 1507727495 PUVMAXMXWZOVRX-UHFFFAOYSA-N 471.631 1.136 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCc2ccc(OC)c(OC)c2)CC1 1507738598 RVJUZYZKBSPMNI-HXUWFJFHSA-N 494.596 1.845 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(CC)CC 1507773655 UZHRJBDISWYSSQ-LVCYWYKZSA-N 452.625 1.333 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1507791130 HYLRSIQCONQHJA-XDNAFOTISA-N 453.609 1.753 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)C[C@@H]1C 1507807292 PJPOGWHPNNNFFS-YRNRMSPPSA-N 458.588 1.918 30 10 JDEE C=C(C)COCCn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OCC)CCOC1 1507848938 QJENGQHQCHKNHX-MBSDFSHPSA-N 476.578 1.290 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC(OCC(N)=O)CC1 1508074874 SELREVNBCGIYBF-UHFFFAOYSA-N 495.353 1.620 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccsc1 1508094031 XGRRYJMKINDELU-IRXDYDNUSA-N 480.616 1.316 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](n3nc(C)cc3C)C2)nnc1[C@]1(OCC)CCOC1 1508097468 INJKWQSKAAZSPC-CVDCTZTESA-N 457.579 1.887 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCN(C)C)[C@@H](C)C1 1508258252 GFIJMNDAXQOVKG-SFHVURJKSA-N 455.563 1.364 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1509693000 HHOQCBFIZKNNMW-OAQYLSRUSA-N 467.574 1.150 30 10 JDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1515285321 CZGAXRHVDKOVDR-UHFFFAOYSA-N 473.603 1.545 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1538992245 NUEPTGSJEMFYAL-OOHXQLJPSA-N 450.499 1.947 30 10 JDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539045624 WKSRBSCEEMDOPS-UHFFFAOYSA-N 459.576 1.589 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Oc2ncccc2F)CC1 1539124294 DJCBXSVCYULEFV-LJQANCHMSA-N 492.577 1.606 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(CC(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1539203127 NYRFELYHJMPCPD-DLBZAZTESA-N 471.649 1.341 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](CC(C)C)NC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1539215933 LPUNDYQLKQPJKF-RTBURBONSA-N 491.618 1.466 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1539216474 SNTZMADFWULSAW-FQEVSTJZSA-N 465.583 1.671 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539220295 HZMCEABEMVMMDV-VQTJNVASSA-N 476.624 1.440 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539220814 LYFVVZURRZGXTC-YADHBBJMSA-N 498.653 1.744 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1539222199 UKIXOQMLVLRMNY-DLBZAZTESA-N 496.680 1.846 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCCN2CCC)CC1 1539467728 XZKLCCOVSVEYAW-NRFANRHFSA-N 469.634 1.744 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cn3ccc(C)cc3n2)CC1 1539468353 FBQJYDRHSUNBAE-IBGZPJMESA-N 479.585 1.972 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)c2ccccc2)CC1 1539477623 SZDGELAGBKEAPD-CYFREDJKSA-N 450.543 1.103 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1539483097 ZEIAJRPZJRMREA-GOSISDBHSA-N 456.591 1.396 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCC[C@@H]2C)CC1 1539488079 GNTZCVYCXZJHFE-IBGZPJMESA-N 452.607 1.590 30 10 JDEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539683308 MXRFGZDMTNILGH-HNNXBMFYSA-N 466.995 1.908 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCS(=O)CC1 1539730466 YYANOMVAAUUHFV-UHFFFAOYSA-N 467.617 1.357 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1539751176 HTFRVJMJSPZOKA-RTBURBONSA-N 465.620 1.516 30 10 JDEE C=CCn1c(COCC)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1540860466 PJZBUQSVUMFAOR-INIZCTEOSA-N 469.608 1.909 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540862882 LMCBHOOUCAIZGH-JKSUJKDBSA-N 480.566 1.330 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1540875324 IBRNHJNAVQSKSZ-IBGZPJMESA-N 472.521 1.126 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C3=NCC(C)(C)S3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540876291 MUYVOQAODKSLAL-HSZRJFAPSA-N 491.662 1.624 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1540916432 BHDNIOPFBLJZHV-MBOZVWFJSA-N 456.634 1.874 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1540917585 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CCTYQAOJHHYCDT-MOPGFXCFSA-N 452.625 1.499 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1594626754 OLGALTNYONOILS-MSOLQXFVSA-N 481.623 1.008 30 10 JDEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1595658433 CSBNUHNTRDFVJE-UHFFFAOYSA-N 479.589 1.815 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1595784027 AHBFOVHLJSIQHF-KRWDZBQOSA-N 479.607 1.773 30 10 JDEE C[C@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)C[C@H](C)O1 1612989012 BWJFSKKKFWIHDO-PMACEKPBSA-N 481.601 1.611 30 10 JDEE CS(=O)(=O)c1ccc(=O)n(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)c1 1613808059 CRHOEDMWZRXQHZ-HNNXBMFYSA-N 458.540 1.621 30 10 JDEE CCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1614929761 AJEXONMAKATSFA-IBGZPJMESA-N 499.641 1.841 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCCC2(C)C)c1 1617705866 HDJVZSVHPAELAA-FDDCHVKYSA-N 488.614 1.865 30 10 JDEE COc1cc(OC)cc(N2CC[C@H](CNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)c1 1638482481 DNSGMHZWMFSHKZ-QGZVFWFLSA-N 458.540 1.496 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2(COC)CCOCC2)c1 1689870528 QYOFCCKXXSLRAI-FQEVSTJZSA-N 480.569 1.729 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCc2n[nH]c(C)n2)c1 1689871645 AXNUJHSPQIXQKK-UHFFFAOYSA-N 455.526 1.989 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1689930059 KCRWVZVEGJWNFQ-FQEVSTJZSA-N 475.571 1.432 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1689977680 ALONJXNGHITIRI-SJORKVTESA-N 451.618 1.427 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1689984309 NHMIXKCTILTIFZ-HNNXBMFYSA-N 475.962 1.808 30 10 JDEE C#CCN(c1nnc(C2CC2)n1C[C@H](C(CC)CC)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689987994 HHOFFDKBEXQCEA-NHCUHLMSSA-N 463.648 1.919 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N2CCN(c3ccccc3)CC2)CC1 1690109072 FZRCBDCMOOXXJG-JOCHJYFZSA-N 478.645 1.382 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COCC)C1 1690245836 NMLGYMIHNAJJSX-NMLBUPMWSA-N 483.635 1.455 30 10 JDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1690634771 UQWYBQYREWSGRA-UHFFFAOYSA-N 450.551 1.097 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690745116 XZZWXMYQIHTUAL-YJBOKZPZSA-N 460.647 1.114 30 10 JDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCCC1 1692346402 DFABKNUPEYSFAH-QGZVFWFLSA-N 450.609 1.992 30 10 JDEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)c1ccco1 1696841789 DOSYRVWZTJBDFU-NRFANRHFSA-N 459.528 1.710 30 10 JDEE COc1ccccc1OC[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1697604240 BLAFPHWTZKEEED-QZTJIDSGSA-N 454.531 1.967 30 10 JDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1705525776 UVTCPOJGBDCIGY-UHFFFAOYSA-N 486.646 1.170 30 10 JDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1OC)N1CCCC1 1705541838 SQIHTQZBALQAGX-IEBWSBKVSA-N 460.604 1.803 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1cnn2ccccc12)[C@H]1CCS(=O)(=O)C1 1705560746 NBOLLIIPFJGEAC-HKUYNNGSSA-N 472.571 1.325 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705578429 RWYMEENOERDBMR-KRWDZBQOSA-N 457.556 1.317 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(=O)NCc2ccco2)CC1 1705635226 UJBZYTQIMILNKW-UHFFFAOYSA-N 486.374 1.711 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cnn(C)c2)CC1 1705644905 FWERZAGGWPBYKM-QHCPKHFHSA-N 455.563 1.066 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC(=O)NC)CC1 1705645416 SXRGDUDLXAGETN-INIZCTEOSA-N 456.522 1.659 30 10 JDEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@H]1C)c1ccccc1 1705795904 UPODJZQVAYEINB-ZHALLVOQSA-N 460.604 1.915 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1705936771 YCIATWFCJNMDCJ-INIZCTEOSA-N 466.995 1.758 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1722333287 VCOJXSRJIBZRJT-GOSISDBHSA-N 473.603 1.499 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1722618888 WVCUQBCWOHYVHQ-RTWAWAEBSA-N 491.614 1.861 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1722694890 LQUZSWAVTCKKCN-INIZCTEOSA-N 466.546 1.831 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1740533048 ODFHZVOJHGEHAC-SLFFLAALSA-N 473.647 1.557 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)Cc1ccccc1 1740548367 ALRBIIUVBZHMGG-ZVDOUQERSA-N 474.631 1.589 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1740553976 VQWIQCJYWMYZMU-KSEOMHKRSA-N 471.627 1.929 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1740567514 SJJKELQMVUWQGN-OALUTQOASA-N 463.608 1.411 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1740589793 BOSZUSOJLOLIMG-OTWHNJEPSA-N 465.620 1.808 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCCS1(=O)=O 1740602420 LXKMAORUTKIHDS-SFHVURJKSA-N 465.601 1.232 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1740623338 ROAXKVFOPRKSAM-CQSZACIVSA-N 465.601 1.774 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCOC1=O 1740647630 SCWUQAMIXPIIBC-UHFFFAOYSA-N 484.582 1.501 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCN1S(C)(=O)=O 1740655975 HGOKGAKDMZMXDH-NQIIRXRSSA-N 469.567 1.678 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1740752588 YFLDXYVIUOHPOT-AOIWGVFYSA-N 474.587 1.920 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@](C)(CC)C1 1740962729 MQYZYLXHBGLNMV-AREMUKBSSA-N 481.645 1.950 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1740963959 CFEHOYSWCKBZKP-OAQYLSRUSA-N 495.628 1.601 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2(O)CCO[C@@H]2C)C1 1740975271 UNZJNJMEMDCWNP-LYHRCORUSA-N 491.614 1.517 30 10 JDEE 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C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)CC1 1301588742 IVDSUPLUVAKHNA-IBGZPJMESA-N 493.655 1.416 30 10 JDEE CN(C)C(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)CCCC1 1314627723 HECWFFQWDLPIAZ-UHFFFAOYSA-N 499.641 1.983 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1358884976 AHCQEHPNFTVDJR-DLBZAZTESA-N 468.583 1.958 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1358958328 LTNCRGBXIXXNQK-FQEVSTJZSA-N 496.549 1.710 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1 1359040956 KKKNGDKYBUUBAE-NRFANRHFSA-N 450.543 1.718 30 10 JDEE C=C(C)COCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCNC(=O)C1 1359130933 BXMVJGFNLUVZAV-UHFFFAOYSA-N 451.531 1.765 30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCNC(=O)c2cc[nH]n2)CC1 1359161825 SDFGZZOXQVYXCW-UHFFFAOYSA-N 455.544 1.658 30 10 JDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1359164566 SAPHBSKIUQEJCD-OAHLLOKOSA-N 450.590 1.734 30 10 JDEE C=CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NCC)CC1)c1ccccc1 1359193817 JZIXVHOIYVYEFH-LEWJYISDSA-N 465.602 1.847 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1359293824 AUVHFZQFZNNSAA-QGZVFWFLSA-N 472.546 1.378 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2nccs2)CC1 1359300878 LWNYUELIJWWWMR-OAHLLOKOSA-N 450.590 1.323 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](F)C1 1359300898 MHGVTWBSGKXFAS-OWCLPIDISA-N 452.531 1.683 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359335919 YMOFFTPOVDSDMM-HNNXBMFYSA-N 467.979 1.778 30 10 JDEE C#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)cc1 1440797267 MKSUJUPYPXJCAU-UHFFFAOYSA-N 459.911 1.799 30 10 JDEE N#Cc1cc(F)c(S(=O)(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)cc1Br 1463842517 HFUFLURKTLMXHO-JSGCOSHPSA-N 453.311 1.036 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)s1 1469550424 SFKNYQSUWWMINK-GFCCVEGCSA-N 453.508 1.672 30 10 JDEE CCNC(=O)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1502368084 ANMDGPIBCAKRQX-OAHLLOKOSA-N 461.592 1.559 30 10 JDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccc(C)n(C)c1=O 1507621666 XFXRKCARFYPVGH-UHFFFAOYSA-N 459.598 1.768 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1507623755 WRQQCLXXWJAGCT-YVWKXTFCSA-N 478.546 1.599 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(COC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1507639562 ZOTYCEAOBXPATG-ZWKOTPCHSA-N 452.577 1.200 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1c(C)nc2ccccc21 1507659855 GUWSPXIGFPIAIF-KRWDZBQOSA-N 453.572 1.710 30 10 JDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCN(C(C)=O)C1 1507673192 PRIPRZQRAJZOJW-LJQANCHMSA-N 452.584 1.991 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@](C)(O)C1CC1 1507709975 HMELJWBOUGRRSX-XMMPIXPASA-N 450.543 1.922 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)CC)CC1 1507739899 GPNOPQGHQPWHGK-JOCHJYFZSA-N 458.588 1.396 30 10 JDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1507958870 ZQPNHYIYQPYODB-INIZCTEOSA-N 472.612 1.538 30 10 JDEE C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1508052180 VXNFQGBEGFQNIM-UHFFFAOYSA-N 463.560 1.737 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1508079082 NLCTVBRVQBBPCT-UHFFFAOYSA-N 464.530 1.304 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1508087582 CTCVRMVGBJYWGP-IRXDYDNUSA-N 489.577 1.336 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1508092566 RIHMLJXRTVLARX-QRQLOZEOSA-N 459.572 1.449 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1508133019 BKEAPDDULUVVBC-UHFFFAOYSA-N 495.671 1.925 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@](C)(CC)C2)nnc1[C@]1(OC(C)C)CCOC1 1508148036 FEERFEMDYLVZLT-SFTDATJTSA-N 456.609 1.925 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)C1 1508184767 CQDBKPZRQMWROF-NQIIRXRSSA-N 451.575 1.842 30 10 JDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CC1 1515489057 FCGWZMDPEAZULL-FQEVSTJZSA-N 451.575 1.844 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2ccc(C)n(C)c2=O)c1 1539037549 GLGAKIXHKFQYIC-UHFFFAOYSA-N 475.553 1.528 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2ccccn2)CC1 1539438074 MPZITFKJQPGFTR-UHFFFAOYSA-N 450.568 1.742 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1539480786 FEDWVNBCSAOITF-LJQANCHMSA-N 471.583 1.200 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1539751696 SGANYCFLGKQTEP-HXUWFJFHSA-N 491.662 1.445 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2CCN(Cc3ccccc3)[C@H]21 1540862251 WMVISNPBOCAMJR-CVDCTZTESA-N 451.575 1.777 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCNC(=O)CC1 1540901386 BMUSPRCFHKBJOV-UHFFFAOYSA-N 456.528 1.527 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](SCC)C1 1540905269 SIRNUCGBVXGONC-IRXDYDNUSA-N 476.690 1.893 30 10 JDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCOCC2)CC1 1555206255 HGKOCMBPDGFKMB-SFHVURJKSA-N 467.574 1.269 30 10 JDEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1569207546 LDEFQXRPIPZCKC-OAGGEKHMSA-N 459.362 1.442 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1F 1587639130 KIUIKFYKHNYVPS-WMLDXEAASA-N 453.515 1.590 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCSc1ccccc1)[C@H]1CCS(=O)(=O)C1 1588029542 IRKYGGUHWLIBTK-SJORKVTESA-N 497.668 1.307 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588034263 CFLVQLIRACXYQK-VAWZGJIGSA-N 480.631 1.762 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1588045676 OMVDLUVPYOIKNM-KRWDZBQOSA-N 459.572 1.449 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]1c1ccccc1 1588139606 QBQJRDQTDJBASI-PCCBWWKXSA-N 453.568 1.488 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1588961589 FKKUHXGCGZXWPT-DFBJGRDBSA-N 467.570 1.671 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(N3CCOCC3)CCSC2)CC1 1594192259 GLCJEIADDIHZGG-UWJYYQICSA-N 484.692 1.499 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1594499094 ZQWXNMYVWOEMRZ-IBGZPJMESA-N 479.647 1.858 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1595477070 QHNQORFGIOMFRD-QYZOEREBSA-N 481.667 1.281 30 10 JDEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1 1595608537 SZAWUETVKSJOAV-UHFFFAOYSA-N 458.544 1.840 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1595766153 MMGGKWCYNNUAEO-JOCHJYFZSA-N 475.571 1.280 30 10 JDEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCCS1(=O)=O 1613828098 HMKDRBIGWVLIKJ-GOSISDBHSA-N 460.560 1.184 30 10 JDEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 1628894904 FCZPGAPGXGOFTG-SFTDATJTSA-N 451.502 1.137 30 10 JDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)cc1 1631712876 HOGDHHJXTXHNBC-QGZVFWFLSA-N 450.879 1.551 30 10 JDEE CCOC(=O)[C@]1(COC)CCCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1634779484 BGVSOEBWJXUCKS-YCRPNKLZSA-N 451.545 1.322 30 10 JDEE CCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccsc3C#N)CC2)cc1 1664432778 BYQXGFOKBVZAPK-UHFFFAOYSA-N 454.599 1.819 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCS(C)(=O)=O)c1 1689868858 SKNNSTUEDFBEGO-UHFFFAOYSA-N 481.538 1.026 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccs2)CC1 1689931812 IVLZWQLMBTYGPF-QGZVFWFLSA-N 464.617 1.413 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](OC)C2CC2)CC1 1690125012 YRBWXHDPNZKYPC-PMACEKPBSA-N 474.606 1.767 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1690396786 MECNNLJWFAOXTH-MRXNPFEDSA-N 497.643 1.773 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCS(C)(=O)=O 1690578185 RQASAWAIJKWBCH-OAHLLOKOSA-N 458.631 1.869 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705567405 VYDZFECTKTVERJ-RTBURBONSA-N 492.623 1.273 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(N(C)C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1705567739 YUAXDWOGYFHGPU-RBUKOAKNSA-N 465.620 1.257 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCCN2CCC(C)CC2)CC1 1705643824 BHPRNCAFMPIBDD-UHFFFAOYSA-N 471.650 1.894 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccco2)N(C)C)CC1 1705644164 HUFLAAPRLHPLJN-SFHVURJKSA-N 455.563 1.278 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1705648501 XYPBNZDREUZHLV-UHFFFAOYSA-N 456.572 1.078 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OC)nc2OC)CC1 1705649072 JHAYONBYFFZYSB-UHFFFAOYSA-N 461.526 1.766 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705706343 SMOSQGQBKNPMLO-XMSQKQJNSA-N 473.647 1.825 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N1CCOCC1 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C[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@H]1CNC(=O)OC(C)(C)C 2282683729 HJLGEDBDWHBHFS-LSDHHAIUSA-N 463.388 1.737 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@@H]21 2282697589 SAKFOIQDGKVNJM-CVEARBPZSA-N 460.340 1.236 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](CO)(NS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282865810 ZBORQWTZPCIBHP-QFIPXVFZSA-N 482.408 1.636 30 10 JDEE CN(Cc1ccccc1)C[C@@H](NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284412634 WRQOCCOOCFIRAL-LJQANCHMSA-N 474.388 1.849 30 10 JDEE COC(=O)[C@@H](CS(=O)(=O)N(CCC#N)CC(F)(F)F)NC(=O)OCc1ccccc1 2286032974 MOOIUBDDYBDKGY-CQSZACIVSA-N 451.423 1.562 30 10 JDEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccc(C(=O)O)cc1 2330749823 MDZDWVBNVDQIQX-UHFFFAOYSA-N 459.513 1.682 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2C[C@H]1CN(C(=O)OC(C)(C)C)C2 2359271399 HXDOVWJJKYCMEZ-SOUVJXGZSA-N 461.372 1.490 30 10 JDEE C[C@H](NC(=O)C(CO)(CO)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2370332031 MGBMLFUIPIGXPJ-HNNXBMFYSA-N 464.368 1.411 30 10 JDEE Cn1c(=O)c2c(nc(N/N=C/c3ccc(Cl)cc3)n2C[C@@H](O)COc2ccccc2)n(C)c1=O 34254363 DUKQMEPPENSUHH-YTIGJDNKSA-N 482.928 1.973 30 10 JDEE CCOC(=O)[C@@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)[C@@H](C#N)[C@H]3c2ccc(OC)cc2)C1 203567687 DUUXCMQXPBAGDN-HYVNUMGLSA-N 451.483 1.782 30 10 JDEE C[C@H](O)[C@]1(C(=O)O)N[C@H](c2ccc(C#N)cc2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 253382058 GUEYGEGRQJDMTG-JBDLZMBTSA-N 450.407 1.121 30 10 JDEE CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)c2)CC1 609256725 FGHYOHSGDJGGCX-UHFFFAOYSA-N 473.530 1.278 30 10 JDEE C[C@@H](OC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C(=O)Nc1sc2c(c1C#N)CCC2 913378530 CUFDJMZTGWHWLD-SNVBAGLBSA-N 453.480 1.238 30 10 JDEE C=CCN(C(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)[C@@H]1CCS(=O)(=O)C1 1125953394 FHUDBDDBQHFDOP-HZPDHXFCSA-N 453.565 1.665 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)CC1 1136632697 HUAKEQFPLLCIJW-UHFFFAOYSA-N 458.518 1.380 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2nnc3n2CCC[C@H]3C(F)(F)F)c1 1177664921 PAKZTVOMHQVZFT-OAHLLOKOSA-N 455.462 1.902 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1286383522 XGPMNPSLZZDAPX-ICSRJNTNSA-N 487.626 1.930 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1286388585 RWNBVLLOLAXEFH-SFHVURJKSA-N 487.582 1.211 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2Cc2ccc(C(N)=O)nc2)CC1 1286484045 GPQPNIXMXOMBNN-UHFFFAOYSA-N 459.554 1.717 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCC(=O)NC2CC2)CC1 1286485705 VMKHXUWZCLPTGM-PUZFROQSSA-N 485.633 1.863 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1286490588 NDWLIJQAQPCLJU-QGZVFWFLSA-N 494.543 1.026 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1286551729 IUIPYZZSKBFBBF-WMZOPIPTSA-N 452.606 1.844 30 10 JDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286632397 IMZVITGNRUSRMQ-QRWLVFNGSA-N 461.014 1.881 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286770497 NHHYWGIYLWPXIM-SFHVURJKSA-N 467.617 1.785 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1286781708 YDHMRPULBJXTDC-UHFFFAOYSA-N 459.576 1.179 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1286786885 LAYOEBWFQGISKX-UHFFFAOYSA-N 454.579 1.600 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1286823153 KZVRMUXRLRSTOR-MJGOQNOKSA-N 470.555 1.044 30 10 JDEE C#CCN1CCCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2NCCOC)CC1 1293713367 VMDVAYGZVKFLOU-UHFFFAOYSA-N 450.605 1.557 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300268272 QKEFJJDQMYSVEF-HUUCEWRRSA-N 451.453 1.646 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1300363211 CNORCHGURIZZIL-MRXNPFEDSA-N 461.548 1.930 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1300478903 GBYFOEUVXYZOCU-LJQANCHMSA-N 464.551 1.909 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1300480180 YZCQCMULYJFYQJ-PMACEKPBSA-N 487.582 1.189 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCC(=O)NCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300488293 QFEZOEZZQUDSQB-HXUWFJFHSA-N 480.594 1.617 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1300504599 OPIASAXJDBXBLQ-HXUWFJFHSA-N 499.568 1.678 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)CC=C 1300579821 XFVBFYRYKUSWDR-UHFFFAOYSA-N 450.524 1.658 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[C@H](O)C2)n1 1300681494 RJZZRVOMCORSAT-ZVDOUQERSA-N 490.630 1.214 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCS(C)(=O)=O)CC1 1300708096 MUIPRDFNEVZUPR-UHFFFAOYSA-N 451.980 1.700 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1300990282 IXVSLMSOQLOSLV-ZWKOTPCHSA-N 499.634 1.503 30 10 JDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1301491752 XSMAKTWPRXKVIL-INIZCTEOSA-N 471.587 1.209 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@]3(CCOC3)C2)cc1 1301517632 BUQVHKMIVMUGHC-VGOFRKELSA-N 477.587 1.497 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@](C)(c3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1301520425 GOVCOBNXELZZTF-ZEQRLZLVSA-N 455.559 1.984 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1301586906 KLSNPJXFCAFLBX-INIZCTEOSA-N 486.520 1.370 30 10 JDEE CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1305640229 DELZPODKUYXWRP-KRWDZBQOSA-N 490.568 1.690 30 10 JDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1305648915 DUYXJWRFSFGPEA-SIKLNZKXSA-N 497.600 1.181 30 10 JDEE CN1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1(C)C 1314930527 HGLYRKNGLNCFGU-DEOSSOPVSA-N 450.591 1.544 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H](C(F)F)N1CCOCC1 1358941251 COZPACPPXCHDFS-GOSISDBHSA-N 467.542 1.774 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358965901 DJEPMKFSLCCUEQ-NHCUHLMSSA-N 487.626 1.513 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1358966742 VXAXQKQZZFMHRM-RTWAWAEBSA-N 490.651 1.515 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1358976960 YKOAEEXALUNUQN-CJAUYULYSA-N 460.538 1.678 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)nc1 1359010183 JCLIFTSADOBRQA-SFHVURJKSA-N 469.546 1.588 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)N2CCOCC2)CC1 1359042093 RBPDFVSBWIGEEL-LJQANCHMSA-N 496.612 1.649 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1359065548 TYBHMPINASGTTB-DRZTYOFYSA-N 454.531 1.449 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1359065550 TYBHMPINASGTTB-KHZUJUORSA-N 454.531 1.449 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCNS(C)(=O)=O 1359093950 VEVQTTFOLZQKHM-WMZOPIPTSA-N 464.548 1.820 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1359126739 XTFVJSWWOPZXQA-GOSISDBHSA-N 469.546 1.346 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1359291240 JBVCZORVWMNLPL-UHFFFAOYSA-N 464.452 1.188 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1359293965 GDPXKWVJIOPBEP-QFIPXVFZSA-N 455.519 1.457 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1359294351 REFVVUWOABBPTC-GOSISDBHSA-N 468.558 1.856 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1359300083 SXPRQSQFIZSRLD-OAQYLSRUSA-N 495.628 1.852 30 10 JDEE CC(=O)N1CCN(CCn2c(CC(C)C)nnc2N2CCN(c3ccccc3C#N)CC2)CC1 1359401742 BRUOLRYHOIJSMV-UHFFFAOYSA-N 464.618 1.839 30 10 JDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1)N1CCOCC1 1360583685 HRBOIESWMAPSIY-GAJHUEQPSA-N 453.547 1.151 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc3c(OC)ccc(Br)c3s2)C1=O 1437611443 BIOXZOAQXMOJAZ-UHFFFAOYSA-N 453.274 1.983 30 10 JDEE C=C[C@@H](COC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1467331513 JJTWXZYXRKKLQP-IBGZPJMESA-N 451.589 1.740 30 10 JDEE C#CCN(C(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O)[C@@H]1CCS(=O)(=O)C1 1471172157 IQXNDVFNANGDRX-GDBMZVCRSA-N 454.346 1.534 30 10 JDEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C[C@H]1C 1502248865 CSHLVLIKXORWDI-MSOLQXFVSA-N 472.615 1.675 30 10 JDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1507575780 HRIDNPPFHZAVNQ-QGZVFWFLSA-N 464.530 1.908 30 10 JDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1507583361 PXTLBSFFABYNHW-INIZCTEOSA-N 454.556 1.619 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1CCCC 1507616715 MQZQCAPLHGJZAK-RTBURBONSA-N 452.625 1.335 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507633308 RRGDHWROPFZTGN-VQTJNVASSA-N 492.623 1.024 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(C(N)=O)nc1 1507663393 YZUMVFHRIOVJJI-UHFFFAOYSA-N 491.577 1.201 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2COCCO2)CC1 1507720766 FTMFTGPWRNTIFU-KNQAVFIVSA-N 455.559 1.987 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(OC)cc2C1 1507750663 BEXOHYQZZXBLDL-HXUWFJFHSA-N 491.639 1.549 30 10 JDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1507751201 DWFQKGGKZFLMCR-OAHLLOKOSA-N 480.616 1.138 30 10 JDEE C=CCCOCCn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OCC)CCOC1 1507966054 LZEUGWFJAXXIKH-SFTDATJTSA-N 454.593 1.538 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCNC2=O)CC1 1507966835 CTTYKYQVXJYKMO-QGZVFWFLSA-N 466.608 1.157 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1508058451 AYOWYCLNKNWUQI-FQEVSTJZSA-N 477.587 1.853 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CC2CCOCC2)CC1 1508095689 ZILHXNFSOKIWQV-UHFFFAOYSA-N 472.565 1.847 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](C)(C(N)=O)C2)cc1 1508096492 HCXQFNWYTUKKFS-BTYIYWSLSA-N 462.576 1.203 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC(=O)N2CCOCC2)C1 1508114557 KYPSNWXYISISQE-CVDCTZTESA-N 463.579 1.349 30 10 JDEE CC(=O)N1CCN(CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)[C@H](C)CC#N)CC1 1508274067 DNTHMGAFDLREFF-QGZVFWFLSA-N 487.008 1.764 30 10 JDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C[C@H](C)S1 1512495070 ACEXICGNGUTMJF-IRXDYDNUSA-N 491.639 1.999 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1c(Cl)cccc1OC)[C@@H]1CCS(=O)(=O)C1 1539200243 DCMDGFFAUBIOMX-MRXNPFEDSA-N 492.001 1.851 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1539215645 HVFVJYFOENGSFT-HXUWFJFHSA-N 459.620 1.427 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCOC[C@@H]1C 1539304963 KHYCDVKNMJQDRK-FQEVSTJZSA-N 484.626 1.379 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nc2ccccc2[nH]1 1539325307 GMMJOVUAVWPZKT-NRFANRHFSA-N 495.609 1.583 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC=CCO2)n1 1539424036 JMBTZKUJKIFQHB-QUCCMNQESA-N 474.587 1.008 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@@]2(O)CCSC2)n1 1539424195 NTLIRGAGNUDJRK-GCJKJVERSA-N 460.604 1.523 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN(C)CC(F)(F)F)CC1 1539462956 QFEFRLRYFVRCOQ-ROUUACIJSA-N 458.529 1.642 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCN2CCOC[C@@H]2C)CC1 1539483172 SVXZOQLAROIQSY-NRFANRHFSA-N 464.614 1.864 30 10 JDEE C=CCCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1540012181 DQVYZAWVJWMTOO-UHFFFAOYSA-N 452.559 1.793 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1c(C)noc1C 1540864711 IYZQUSSHMJGTIJ-UHFFFAOYSA-N 487.586 1.739 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1540868661 MZVHOWYMYSYTBM-UHFFFAOYSA-N 474.569 1.081 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)NC)C1 1540869386 KXKATKYXXGATFR-QGZVFWFLSA-N 492.584 1.501 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@H]1C 1540869564 QBDJWFYOZRLNOJ-QGZVFWFLSA-N 492.584 1.595 30 10 JDEE Cc1cc(C)n(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)n1 1543087469 FXPRWTZWNJLJET-KNQAVFIVSA-N 490.634 1.645 30 10 JDEE CCc1nn(C)c(CC)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1546392508 BNGGZCQBYLDMPD-KRWDZBQOSA-N 462.558 1.947 30 10 JDEE CN(c1nnc(-c2cccc(C#N)c2)n1Cc1cnn(C)c1)C1CCN(S(C)(=O)=O)CC1 1552915826 CWSMQKBRJPHHIK-UHFFFAOYSA-N 454.560 1.459 30 10 JDEE C#C[C@@H](NC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)[C@H]1CCCO1 1564117240 LKHAIQHLQGSAAI-QZTJIDSGSA-N 451.545 1.337 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N2CCCCC2)C1 1587860874 CFHAKNARDZAKEQ-RBUKOAKNSA-N 450.609 1.089 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1588049553 IEFIDRLWRGYXDJ-LPHOPBHVSA-N 472.546 1.912 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CC(=O)NCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588065021 RHYUWKGFXLICJI-JOCHJYFZSA-N 492.605 1.250 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1588229605 YYPZKQHUMONJPJ-GOSISDBHSA-N 460.581 1.095 30 10 JDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C)n(C)c1=O 1588309768 CVBAEWNWZRDDHP-UHFFFAOYSA-N 453.572 1.753 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCSCCCO)CC1 1588876894 MUOFGYPQXXYQNT-KDURUIRLSA-N 478.663 1.920 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1595250230 AIZHEXPFVCYLJP-SJLPKXTDSA-N 462.576 1.339 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1595260327 IHWOBZKMCLGZLE-FQEVSTJZSA-N 486.554 1.952 30 10 JDEE CCCN(CC)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1614716707 FTIYXZZRYUHTSH-LJQANCHMSA-N 455.611 1.754 30 10 JDEE CCN(CCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1)S(C)(=O)=O 1615620124 GZDSVNPJGRMRHC-SFHVURJKSA-N 469.571 1.894 30 10 JDEE CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1)S(C)(=O)=O 1617786706 BANJMKNPTRNNGI-NRFANRHFSA-N 476.628 1.545 30 10 JDEE C[C@@]1(NC(=O)C(F)(F)F)CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 1620522298 GISKLNOCKPJUKL-YLJYHZDGSA-N 455.456 1.677 30 10 JDEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)N3CCN(c4ccccc4C#N)CC3)cn2)C[C@@H](C)O1 1623183655 CYTXEUBWCVXISC-HDICACEKSA-N 451.531 1.745 30 10 JDEE C=C(C)CN1CCC(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1 1632863354 XBZWIDKOLCHMLD-NZSAHSFTSA-N 455.621 1.813 30 10 JDEE N#Cc1ncccc1S(=O)(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 1659353418 FCPHJPYKGRADTQ-UHFFFAOYSA-N 456.915 1.663 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)CC1 1668124307 FZOPJNRGKPEFQB-UHFFFAOYSA-N 458.009 1.510 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1689966232 NJXGODALDFHAOH-CTNGQTDRSA-N 489.598 1.205 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1OC 1690046376 BLWWPCTUOBTALW-FQEVSTJZSA-N 492.001 1.784 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC2CCN(CCN(C)C)CC2)CC1 1690128912 MBOSNFPSVPQPBF-UHFFFAOYSA-N 450.635 1.293 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)C(=O)NC)CC1 1690134806 GTZIDGKGQPCISE-HDICACEKSA-N 473.622 1.576 30 10 JDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1690175313 UPMGKNDHVSKFSV-OALUTQOASA-N 460.648 1.718 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1690210908 NCYUGTZAEAPYEX-DHIUTWEWSA-N 458.584 1.614 30 10 JDEE C=C(C)Cn1c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1690298487 ZOABGYLTYBXPAE-HYBUGGRVSA-N 454.575 1.855 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1690669588 JFIYFSFNHOLWNH-KGLIPLIRSA-N 466.468 1.588 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1690714941 YYEZLRIYESYDHH-INIZCTEOSA-N 484.623 1.463 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)CC#N 1690717691 NSHAMUZCZZQXMZ-HNNXBMFYSA-N 451.574 1.688 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC[C@@H]1C 1705495419 PQBYEOUASFKZBT-GBESFXJTSA-N 452.625 1.333 30 10 JDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705553153 URPVWYWEIXPMRO-NRFANRHFSA-N 479.633 1.464 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(CCOC)CCC1)[C@H]1CCS(=O)(=O)C1 1705561249 RWVQBZXMOGCGDD-SFHVURJKSA-N 486.598 1.759 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1705565581 HRJQNRHCITXXQK-KRWDZBQOSA-N 476.603 1.363 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCC(=O)N1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1705565922 KVTPACNYNHHFLE-RBUKOAKNSA-N 463.604 1.201 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705570854 UKUCMNBPHIXDID-WSTZPKSXSA-N 463.648 1.745 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CCC1 1705628971 UEFJTZKRUSQIDM-OAQYLSRUSA-N 487.626 1.819 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(O)CCC2)CC1 1705640263 LRFMMBFYOCQBBF-GOSISDBHSA-N 460.579 1.257 30 10 JDEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(C)(C)OC)CC1 1705641533 JFBNTXZISYOQHW-UHFFFAOYSA-N 465.646 1.823 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCN(CCC)C2)CC1 1705643763 ROATYBXSCGCQKO-IBGZPJMESA-N 455.607 1.212 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCS(=O)(=O)CC2CC2)CC1 1705644100 XTHOVKBBUQRLLB-WOJBJXKFSA-N 463.648 1.777 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@H](C)OC)CC1 1705645658 ZMLIAHGLJPGARD-MRXNPFEDSA-N 487.630 1.547 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C)Cc2ccccc2)CC1 1705648477 XEAZMFLRFOZHAQ-OAQYLSRUSA-N 463.586 1.327 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1705648848 ATYQCQWBMKLLGW-IBGZPJMESA-N 452.607 1.765 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CCOCC2)C1 1705662206 SQRKCGQWJSHZFS-GOSISDBHSA-N 483.660 1.374 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OC 1705716490 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C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(N(C)C)CCSC1 1544574850 CAWSDUWECOAJKN-HXOBKFHXSA-N 469.615 1.833 30 10 JDEE COc1ccc(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cc1 1554900017 BYZIMXDTIXTZSG-YLJYHZDGSA-N 476.603 1.991 30 10 JDEE N#Cc1cccc(-c2nnc(N3CC[C@H](CN4CCOCC4)C3)n2CC(=O)NCC(F)(F)F)c1 1555986792 APEOPFICIOOPAI-QGZVFWFLSA-N 477.491 1.654 30 10 JDEE C#CCCCCn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1587792772 ADIOLARJUWGSTI-OAQYLSRUSA-N 453.609 1.640 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCN1CCCO 1587932091 LPWLIUDLQPLCBL-IBGZPJMESA-N 460.604 1.112 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CC(=O)N(CCOC)C1)[C@@H]1CCS(=O)(=O)C1 1588058742 BPZJZUPDWBYLGZ-IFMALSPDSA-N 499.637 1.299 30 10 JDEE C#CCN(c1nnc(CC)n1CC(F)(F)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588059063 IQWAZSQQAWSXFY-CQSZACIVSA-N 461.535 1.627 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588069215 JPGCQUBUXRPKPT-AUSIDOKSSA-N 471.583 1.762 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(C(N)=O)CCCC1 1588124976 XPNLAYHIYKNUNS-UHFFFAOYSA-N 453.572 1.357 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1588628564 LBOUHEJORPHGSO-QGZVFWFLSA-N 453.469 1.474 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(=O)NCC(F)F)CC1 1588801098 UXHSBGZTLKXWBJ-UHFFFAOYSA-N 454.485 1.267 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(C(N)=O)c2)CC1 1588885782 YZAOIFVLUDDUKV-UHFFFAOYSA-N 479.585 1.310 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1589007785 RAYQNPTYNPEETO-NRFANRHFSA-N 461.613 1.677 30 10 JDEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1594591455 WVTGTALSJCFLQM-UHFFFAOYSA-N 456.942 1.685 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1595405778 XYFCCJFORXGEFE-MRXNPFEDSA-N 470.596 1.244 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1595562425 YJPSHDGBDUBLJZ-QGZVFWFLSA-N 480.573 1.922 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 1595608576 UILBAICPKVNQDY-KRWDZBQOSA-N 476.603 1.500 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSCCS1 1611307474 CYQDLPWPIYATPU-RBSFLKMASA-N 460.651 1.198 30 10 JDEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 1625034750 HIVGMWWVHKTIRO-HXUWFJFHSA-N 454.508 1.351 30 10 JDEE COC(=O)[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1OC 1636880808 DEDUFJDMDMMRPL-MAUKXSAKSA-N 459.524 1.382 30 10 JDEE C=CCn1c(SCC(=O)N2CCN(S(N)(=O)=O)CC2)nnc1-c1ccc(Cl)cc1 1651012224 JLNYUMMCDCZJKS-UHFFFAOYSA-N 456.981 1.224 30 10 JDEE CCOC(=O)C1([S@](C)=O)CCN(C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)CC1 1670762609 HRMSANLIYYDWSA-MMEWPQADSA-N 455.558 1.680 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1689966233 NJXGODALDFHAOH-FPOVZHCZSA-N 489.598 1.205 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1690124787 UNVJBLPTTUSZAS-GOSISDBHSA-N 460.579 1.189 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCCO2)CC1 1690137945 MPCVKXZKJAKCOF-GBXCKJPGSA-N 459.591 1.854 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(OC)c1 1690175105 PYNBCDLLUBMBIU-IBGZPJMESA-N 479.628 1.622 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCS(C)(=O)=O 1690245377 HKHDDNINHQMCOE-OXJNMPFZSA-N 486.598 1.654 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1690345753 CMDOJNGIZWVPSW-HNNXBMFYSA-N 475.015 1.058 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1690465195 UYAHBMCHAKYHCW-PGRDOPGGSA-N 483.635 1.742 30 10 JDEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1690632815 RVQHUPXLVZMVCW-UHFFFAOYSA-N 463.380 1.778 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1690677289 TWWOHPMSJSITDU-KOSHJBKYSA-N 471.558 1.942 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1690714581 PGFXOAGKHYUQIC-MRXNPFEDSA-N 487.586 1.021 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cscn2)CC1 1690724404 OGPDRKGBICUNOY-INIZCTEOSA-N 452.606 1.162 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1705567946 DGBBUHRYHASXSH-ZWKOTPCHSA-N 490.655 1.392 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@]2(C)CN(C)C2=O)CC1 1705634095 JGQWHCGZPOOZIO-JOCHJYFZSA-N 487.402 1.950 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(C)(C)COC)CC1 1705648435 WXFBWIYJHLSUDY-UHFFFAOYSA-N 491.596 1.830 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1705655992 UDBMWBVULJZEEQ-CVEARBPZSA-N 484.669 1.973 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CCNS(C)(=O)=O 1705705023 BRBZWTVDHBGMHV-MAUKXSAKSA-N 454.622 1.600 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@]1(OCC)CCOC1 1705707588 NXPCWJHXZCLQKQ-YDHSSHFGSA-N 462.595 1.763 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705722781 ZFBMKKPHDHBIPB-SFHVURJKSA-N 487.586 1.244 30 10 JDEE C=C(Cl)Cn1c(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1705760787 SCHDOFYEQPYLLP-XWFZLUIHSA-N 467.014 1.672 30 10 JDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1705885889 ZJHAFYBUFCOGOF-QGZVFWFLSA-N 459.576 1.942 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705906367 BNZHUMIPBYDWBP-FQEVSTJZSA-N 468.558 1.295 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1705906946 UMIJMAKDMLRNQX-JOCHJYFZSA-N 492.628 1.636 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](C)(C(=O)NC)C2)cc1 1705909586 AYKCYDRGFPHZEB-ZHRRBRCNSA-N 476.603 1.464 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(C)noc2C)C1 1705925938 WJKSBLCVDKAHDQ-FUHWJXTLSA-N 466.564 1.045 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1705931781 AELBHZINURTDLR-KRWDZBQOSA-N 469.571 1.399 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1705932218 PIFITJBHRQJJHT-INIZCTEOSA-N 450.565 1.054 30 10 JDEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1 1705946392 GUZNUGHKAAOXEC-HOTGVXAUSA-N 466.608 1.817 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722326186 RDRSLGNKTFVJKO-HXUWFJFHSA-N 471.583 1.590 30 10 JDEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1722362657 VPYIRNMHRRQMQI-ZWKOTPCHSA-N 471.583 1.725 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722363268 FBHZZPBLNAEEGG-IEBWSBKVSA-N 492.573 1.725 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1722370915 FTYKWFDDLKXBJJ-SFHVURJKSA-N 499.618 1.953 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1722372144 QGWJOZLPDJRUGD-FQEVSTJZSA-N 470.603 1.133 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722429682 VDHCLNMICKRZGI-AABGKKOBSA-N 465.620 1.810 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2csc(CC)n2)CC1 1722443370 HWEOMSLYXPYVIB-HSZRJFAPSA-N 472.615 1.963 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2c(C)noc2C)CC1 1722443629 LOPPLOWUWVNOIE-DEOSSOPVSA-N 470.574 1.744 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722508625 LYGNBTBSHKAXSI-SJBKTWHCSA-N 460.623 1.800 30 10 JDEE C=CCCOCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1722625540 VZZQXGUVBWEUMC-HXUWFJFHSA-N 495.584 1.780 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1CC 1722672792 YUTVLPKZUNUZCP-RTBURBONSA-N 452.625 1.664 30 10 JDEE COCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)CCC1 1730510483 AZZKGTOJYCPYDX-KRWDZBQOSA-N 467.578 1.610 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[C@@H]1NC(=O)NC1=O 1740554131 OFDBMIGRFQVIJY-BBWFWOEESA-N 473.578 1.839 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1740705850 NFLUXMBRCSZOEG-ZVDOUQERSA-N 458.607 1.247 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cnn(C)c2)CC1 1740707809 QMYHMZQHFLVLKH-WOJBJXKFSA-N 453.591 1.944 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(OC)CCOC2)CC1 1740708438 POLZRSNPXPPBJP-RUZDIDTESA-N 467.570 1.671 30 10 JDEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1740710240 WYAYHLQASGHUMQ-IBGZPJMESA-N 475.018 1.749 30 10 JDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740880842 PCWUXKTUYLBKKT-CTNGQTDRSA-N 496.616 1.507 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCc3ccccc32)CC1 1740950823 IWQDNBIXNLXKHZ-UHFFFAOYSA-N 451.575 1.750 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CCOC)[C@H](C)C1 1740952149 WAWHSZBIOHGHAG-LJQANCHMSA-N 469.590 1.606 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1740962035 PUGPDPWPJMLKRE-OAQYLSRUSA-N 452.607 1.171 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(N2CCNC2=O)CC1 1740988698 NATAKPRRGLKBDE-UHFFFAOYSA-N 479.994 1.588 30 10 JDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCS(=O)CC1 1740997001 LBZLYBWMQNNEHC-UHFFFAOYSA-N 469.658 1.683 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC(=O)N(C)C 1744086460 FVAIIMBDYFCAHA-UHFFFAOYSA-N 467.578 1.268 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCCN(C)C 1748671153 GLYKPZSMYKKOHG-RXVVDRJESA-N 490.630 1.058 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1748803299 WXZTWDZXTXDDHK-AWEZNQCLSA-N 456.366 1.049 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748820642 GNHAHAKDERXXRK-NMMYMHLASA-N 490.674 1.538 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1748825328 XQQKWYYOZAMOOC-QGZVFWFLSA-N 484.575 1.058 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C(CC)CC)N1CCOCC1 1748846703 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480.613 1.927 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1760515172 BVAMEZMINFLXAK-GOSISDBHSA-N 490.630 1.073 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(F)(F)C2(OC)CCOCC2)C1 1760541793 HQNPTGYBCOWYAB-HZPDHXFCSA-N 455.506 1.841 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1760553674 YIMRUNXUZMKHEN-KRWDZBQOSA-N 467.617 1.312 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1760557140 BAZNLZMCKNQQRF-GOSISDBHSA-N 461.588 1.729 30 10 JDEE O=C(C[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3ccccc3)C[C@@H]12)ON1C(=O)c2ccccc2C1=O 1772794844 YMDOFVOQBSKUKZ-UXPWSPDFSA-N 454.504 1.676 30 10 JDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 1859012491 HADSKBUNPQOCTJ-UHFFFAOYSA-N 497.529 1.470 30 10 JDEE CC(C)(C)N1C[C@@H](C(=O)Nc2c(C#N)nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1=O 1870108941 DNHPPBBJDJYVAA-ZDUSSCGKSA-N 469.458 1.558 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)N2C[C@H](C)O[C@@H](C)C2)nc1C 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C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C2CCOCC2)C1 1722538644 ZQNUDXIBCWAJOG-WOJBJXKFSA-N 483.635 1.457 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1722698767 LYTRPWORRPQHPV-HXUWFJFHSA-N 482.585 1.374 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCCCC2)C1 1722719252 RWZFBCGCVYZDSN-WOJBJXKFSA-N 482.651 1.268 30 10 JDEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)CC1 1728602726 FRNJRCUAQWWTSQ-OALUTQOASA-N 473.647 1.712 30 10 JDEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)CC1 1728628314 BHUVFYYVGJFEKB-IBGZPJMESA-N 473.647 1.571 30 10 JDEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 1728701497 ATOGLBDWJMUWFQ-QFIPXVFZSA-N 472.571 1.875 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC 1740547790 BDYVLPAAXPKCNJ-JKSUJKDBSA-N 455.581 1.479 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1740615322 ATJAXHUYWIRPJV-MRXNPFEDSA-N 479.965 1.982 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCN(C)C(C)(C)C1 1740634815 IPYCNKHDTNEXKY-UHFFFAOYSA-N 458.574 1.020 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(C(N)=O)nc1 1740680517 FDRXVUORIGHWIN-UHFFFAOYSA-N 472.347 1.674 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN(CC)S(C)(=O)=O)CC1 1740704456 QCAHUYDWLHJXIZ-UHFFFAOYSA-N 497.625 1.454 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)c2ccccc2)CC1 1740708290 KHPAUNHIXUFXRR-VWLOTQADSA-N 464.570 1.274 30 10 JDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1740777856 NYCBEIGESIZMIN-UHFFFAOYSA-N 451.575 1.704 30 10 JDEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740778154 KPGNMDQPYPPACE-HNNXBMFYSA-N 481.648 1.593 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1740847295 DNIFMQCIWXQRLM-DLBZAZTESA-N 452.625 1.939 30 10 JDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1740885657 LKJORUFACFMYBV-LJQANCHMSA-N 453.547 1.247 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(OC)ccc1OC 1748670784 BSBWVMQSUUXPLG-DNVCBOLYSA-N 463.560 1.134 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1748808649 FLSOVVFZNJBCEA-FOIQADDNSA-N 450.948 1.377 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1(COC)CCCC1)[C@H]1CCS(=O)(=O)C1 1748818129 WCKRKRFMYWBOSS-OALUTQOASA-N 498.671 1.404 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCOc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1748822089 XNJUQWGUHLWBCX-HXUWFJFHSA-N 485.610 1.805 30 10 JDEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1749105769 OOPUKBPOYTUXLJ-UHFFFAOYSA-N 478.395 1.057 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)CC1 1749130097 JMNJFLDVBRVMQI-RYRKJORJSA-N 459.563 1.549 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749130756 NLIMJZRZUCDMRS-MKXGPGLRSA-N 453.609 1.671 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1749531714 MDRCSXJNUQPCCW-NZQKXSOJSA-N 471.583 1.786 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1749693157 GYMHJYRWPIIWFS-QZTJIDSGSA-N 468.549 1.651 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(CS(C)(=O)=O)CC1 1760110966 IRCIGSJHAQATDJ-HNNXBMFYSA-N 454.556 1.475 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccc2)CC1 1760130542 JHJUUWAJUYVKST-GOSISDBHSA-N 458.588 1.654 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCNC(=O)[C@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1760188110 HUJKNCVKUMFLBV-MJGOQNOKSA-N 472.615 1.828 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1760192343 SSTLOEORJXPQLB-QGZVFWFLSA-N 475.546 1.223 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCC(O)CC1 1760202148 USGBHJPBLPGOLG-UHFFFAOYSA-N 459.554 1.112 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCC(=O)N1CCOCC1 1760249516 NCSXNXMMCBEOCT-FQEVSTJZSA-N 455.515 1.126 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)c2ccccc2)CC1 1760265518 CXCCLEWENLPYFS-ZWKOTPCHSA-N 472.615 1.658 30 10 JDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1760281036 KSGGFOUKYDNCFW-INIZCTEOSA-N 482.657 1.424 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(C)O 1760480642 AOZSXZGLWZTMFH-LJQANCHMSA-N 463.604 1.965 30 10 JDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760523454 YQVPBHMMNNXYNX-UHFFFAOYSA-N 471.587 1.494 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760554282 XZLSHVXERALHFW-NRFANRHFSA-N 499.597 1.073 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1760558522 RAZUUEKRHSAWFV-MJGOQNOKSA-N 466.652 1.165 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccco2)CC1 1760559352 NAXBQHTYUKMPQW-HKUYNNGSSA-N 493.586 1.158 30 10 JDEE CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 1760633358 BENDFDHRDSXXCZ-UHFFFAOYSA-N 485.614 1.736 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1766699252 HJMXTSRABDFVCF-INIZCTEOSA-N 486.602 1.459 30 10 JDEE CCN1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 1767096919 DWVOVKDMGCSKNR-NFBKMPQASA-N 494.644 1.892 30 10 JDEE CN(CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1)CC(F)(F)F 1767370017 CLFIWUBNDKUJKZ-HNNXBMFYSA-N 451.453 1.534 30 10 JDEE COCC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1 1769632626 HNORSKCEKDDPJW-IBGZPJMESA-N 468.558 1.874 30 10 JDEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)C1 1770352492 CHYAQRLFORGWEJ-FQEVSTJZSA-N 487.630 1.305 30 10 JDEE COC(=O)c1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1 1862564012 QEKUUYBAIRBWDE-NRFANRHFSA-N 465.506 1.966 30 10 JDEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)CN3C(=O)c4cccnc4C3=O)sc2c1 1866237003 STGJKXYYIFGQGC-UHFFFAOYSA-N 457.493 1.390 30 10 JDEE C=CCN(CC=C)C(=O)[C@H](C)NC(=O)c1ccc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 1868808655 CMMRILKFCGPJQQ-SIKLNZKXSA-N 474.627 1.315 30 10 JDEE O=C([C@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21)N1CCC2(CC1)OCCO2 1869930282 WIRAZUBGONEOMG-IBGZPJMESA-N 473.526 1.841 30 10 JDEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255821039 DAHPOQMGCNFFIB-KBPBESRZSA-N 452.386 1.790 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2255841642 GAUNBDIYCDNOCN-FQEVSTJZSA-N 453.370 1.544 30 10 JDEE CC1(C)OB(c2cnc(NS(=O)(=O)CCCN3C(=O)c4ccccc4C3=O)c(F)c2)OC1(C)C 2256396415 XOBVZDQGUYZEBZ-UHFFFAOYSA-N 489.334 1.948 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CO 2267193601 HYFCAJINRZCRHI-UKRRQHHQSA-N 450.345 1.057 30 10 JDEE Cn1nc(C(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267197708 NPQUYARPHGHGEK-IMRBUKKESA-N 466.775 1.968 30 10 JDEE C[C@@H]1[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCN1C(=O)OC(C)(C)C 2267711166 HJNMPIGUXAWIQR-ZIAGYGMSSA-N 470.401 1.396 30 10 JDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H](O)C2)n1 2282045457 XEHRLJVOBVOGKS-INIZCTEOSA-N 461.368 1.743 30 10 JDEE CC(C)(C)OC(=O)N1CCC(O)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2282179721 ODSPWXVKOUSDAR-UHFFFAOYSA-N 461.368 1.873 30 10 JDEE C[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)[C@@H]1CCN(Cc2ccccc2)C1 2282330635 BWBLMMKDOWQMRQ-IEBWSBKVSA-N 474.436 1.908 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)Nc2cnn(CCNC(=O)OC(C)(C)C)c2)n1 2282536622 FUCDOYIIRZWLMA-UHFFFAOYSA-N 460.344 1.693 30 10 JDEE C[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)[C@H](C)[C@H]1NC(=O)C(F)(F)F 2282537416 QBRBDSFVKNOONU-BZPMIXESSA-N 458.290 1.637 30 10 JDEE COC(=O)C1(NC(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)o2)CN(C(=O)OC(C)(C)C)C1 2282595710 XVSPOQQRSHPZHR-UHFFFAOYSA-N 464.324 1.780 30 10 JDEE CON(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C1CCN(C(=O)OC(C)(C)C)CC1 2282698870 FVCBAEIDDWVESS-UHFFFAOYSA-N 465.360 1.517 30 10 JDEE Cn1[nH]c(CNC(=O)OC(C)(C)C)nc1=NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282857964 POOWCZXYKUXPCJ-UHFFFAOYSA-N 499.424 1.423 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)CC1 27165459 NTROMUACXYVGEE-UHFFFAOYSA-N 460.531 1.687 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)N2CCN(Cc3cccs3)CC2)CC1 31296249 HWDMACRLDYWEFY-UHFFFAOYSA-N 473.624 1.270 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cnn(Cc3ccccc3)c2)cc1 643053615 GIBSEUROVYVEHT-UHFFFAOYSA-N 467.551 1.993 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1286391793 GIGLVCXUULHIRU-GOEBONIOSA-N 483.392 1.068 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H](C)N1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1286394361 VOJZMEBMQSZMII-UNMCSNQZSA-N 476.691 1.664 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1286398793 PLRUEHBKCGYGHE-VAMGGRTRSA-N 474.631 1.914 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1286454423 WWSSQJNHFFMKEA-HOTGVXAUSA-N 456.613 1.851 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)CC 1286466770 JVDAWAPRNLBCJI-VGSWGCGISA-N 451.568 1.834 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCn2cnnn2)CC1 1286474543 MEJIOQXZWOTJPR-UHFFFAOYSA-N 474.342 1.679 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2CCS(=O)(=O)C2)CC1 1286484422 NSXMCGPRXLOBII-LJQANCHMSA-N 457.600 1.609 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@]2(C)COCCO2)CC1 1286491020 BAXDNUSJTBNQSD-XMMPIXPASA-N 455.534 1.779 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Nc2cccnn2)CC1 1286497045 ZFQMRVAKTGHSQU-HNNXBMFYSA-N 464.621 1.126 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(C)=O)CC1 1286686573 BALLCKMMCIBXSH-GOSISDBHSA-N 454.597 1.072 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1286791295 XTULMBLBTJCCLY-CQSZACIVSA-N 464.979 1.996 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(CS(C)(=O)=O)c2)C1 1286810719 VBBSLTQZKLJCEE-WOJBJXKFSA-N 494.639 1.554 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1286814717 FCFHIEBMEMKYNF-OAHLLOKOSA-N 493.586 1.239 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1286822557 FJJHIRWLHARNSV-IAGOWNOFSA-N 472.681 1.497 30 10 JDEE CC1CCN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CC1 1291182226 HRUNRXHAAHSKET-NRFANRHFSA-N 493.678 1.863 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1N1CCCC1 1300306931 ALZBKZRDQPRYHV-UTKZUKDTSA-N 490.605 1.857 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300482449 FMZVOLBSELXERV-OTWHNJEPSA-N 451.637 1.702 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCn2ccnc2C1)[C@@H]1CCS(=O)(=O)C1 1300483805 MGPZUCLHBUSBNN-GBESFXJTSA-N 476.603 1.088 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCOc2ncccc2Cl)CC1 1300719480 CLYAPMQGJDJBSQ-UHFFFAOYSA-N 468.949 1.772 30 10 JDEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1300765181 AJOWNNHAEHBJGN-UHFFFAOYSA-N 455.556 1.595 30 10 JDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1300843131 CBHYXCMHMWNWIS-KRWDZBQOSA-N 483.411 1.062 30 10 JDEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1 1301008942 DSFNQBQCWUXDAT-RXVVDRJESA-N 460.535 1.766 30 10 JDEE N#Cc1ccc(C[C@H](C#N)C(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)cc1 1301191366 HCWZUUVUONVNLK-OAQYLSRUSA-N 451.552 1.363 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(Cl)cc1 1301297207 NKTTZAOPKAGZTK-QGZVFWFLSA-N 455.968 1.966 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(C)c1 1301425869 ZIYLRMIQUHVYOK-LJQANCHMSA-N 467.567 1.746 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1301507028 UFJAQUCDIPAAAH-UHFFFAOYSA-N 496.597 1.886 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CCOC)CC1 1301576888 IGYNHHXEOPDYQW-UHFFFAOYSA-N 453.996 1.968 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1301587211 RXXXEQCXRBSKLR-IBGZPJMESA-N 474.631 1.554 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)CCOCC2)CC1=O 1301927472 GYFKSQSBUSYHBD-UHFFFAOYSA-N 468.558 1.840 30 10 JDEE Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)c(=O)n1C 1304351219 HLUCXARAQRTIKJ-UHFFFAOYSA-N 461.526 1.343 30 10 JDEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1309428153 AEOLOWVITLWMOJ-IRXDYDNUSA-N 459.613 1.598 30 10 JDEE CCOCc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cc1 1314290081 BYALGTLVTMBUKL-XLIONFOSSA-N 476.603 1.792 30 10 JDEE C#CCO[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(CC)CC1 1352940256 JJKZWICIQBBDCH-GOSISDBHSA-N 450.605 1.836 30 10 JDEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1358916454 LVSSPDBBAASSSZ-UHFFFAOYSA-N 480.613 1.950 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358966857 YAFZNMBOKPXODM-SFHVURJKSA-N 490.655 1.382 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)C(=O)NC)CC1 1359039980 CZGWKFJQONMHMY-UHFFFAOYSA-N 493.612 1.885 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC2(CCOCC2)C1 1359091182 JZLVCFVOVQCEBV-KSZLIROESA-N 485.676 1.972 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)C1 1359099272 LTURLYTZACIAMG-OAGGEKHMSA-N 461.535 1.438 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1359117399 YJJUQECMPAYSLE-WBVHZDCISA-N 474.653 1.295 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1359121701 DRAXDKHMIHEVSS-LEWJYISDSA-N 490.630 1.043 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nnc(C)s1)C1CC1 1359251121 CZKOIPVYZAXGIC-INIZCTEOSA-N 467.621 1.559 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1359291178 HKZJCAFNMFNYEZ-UHFFFAOYSA-N 485.976 1.319 30 10 JDEE CCN(CCC#N)S(=O)(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 1475071360 CRHCWRZVDXODHV-UHFFFAOYSA-N 458.382 1.486 30 10 JDEE CCO[C@]1(c2nnc(N3CCN(c4ccc(C#N)cc4Cl)CC3)n2CC(=O)N(C)C)CCOC1 1502717289 CFWIWYHWTKXYCA-HSZRJFAPSA-N 487.992 1.870 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1507518976 OSGPBULDFYYTEA-JYLXEMOASA-N 465.620 1.592 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1507589381 WJWIYVOZTFITSZ-SFHVURJKSA-N 451.593 1.898 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1507626901 QLBMCQPFDGTAGC-NQIIRXRSSA-N 463.535 1.139 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C)Oc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1507639073 JDMDMNBWXGNMQR-PMACEKPBSA-N 485.610 1.803 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N2CCC(C)CC2)CC1 1507732697 JNYLZSGJIVNAKJ-FQEVSTJZSA-N 469.634 1.600 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2CCS(C)(=O)=O)CC1 1507734949 DZTLELNSYXLSDU-UHFFFAOYSA-N 466.567 1.504 30 10 JDEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@@H](C)C(=O)NC 1507746778 UDXUTWPFFRHTJB-OAHLLOKOSA-N 477.660 1.731 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCCC)CC1 1507805303 MOVUARRHUXOREV-NEWSRXKRSA-N 482.651 1.612 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(C2CCC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C 1508012987 LCYOERCYODFACM-WOJBJXKFSA-N 455.607 1.391 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1508078564 DJMVEBIKMNRKRZ-QGZVFWFLSA-N 475.571 1.422 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1508139270 FJFOLGOGGVJXJC-UHFFFAOYSA-N 467.555 1.298 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1508144958 ZIYDMTMBNMIFRZ-LJQANCHMSA-N 484.582 1.531 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(CS(C)(=O)=O)cc1 1508420881 AVRXIGSCNWCVKB-YJBOKZPZSA-N 465.601 1.369 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1517625081 GHTQLEUDGRKQEG-IUODEOHRSA-N 458.466 1.522 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1538973058 KROLPFAWKFAPSI-SCLBCKFNSA-N 453.362 1.715 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@H]2CCOC2)c1 1539037240 CSHRRYRHVDDVNJ-WMZOPIPTSA-N 474.587 1.371 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2COCCO2)c1 1539039520 DBKIZBPQMKQAAU-BWKNWUBXSA-N 483.569 1.790 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)COC)c1 1539042333 FFQKREITWCTOGK-AEFFLSMTSA-N 459.572 1.519 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1cn2ccccc2n1)[C@H]1CCS(=O)(=O)C1 1539202519 JGVYPZICZKEZLO-FQEVSTJZSA-N 497.625 1.714 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1539203299 PEHNZJAIJIADLU-OAHLLOKOSA-N 465.605 1.031 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1539407856 RHAWNFRQMMPETL-JOCHJYFZSA-N 457.556 1.072 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)C(C)(C)C 1539409176 QNOADOAAHMCDOH-UHFFFAOYSA-N 479.585 1.923 30 10 JDEE C#CCSCCn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539531194 SFOVFXBSVVKAGH-MBSDFSHPSA-N 490.630 1.452 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)(C)C)CC1 1539630764 GZKOIVNXEFIYHT-ZCNNSNEGSA-N 496.678 1.513 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1540035388 BJNURRPJWWKRLE-LJQANCHMSA-N 465.620 1.612 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nncn1-c1ccccc1 1540170754 PYDFFEWLYOUZDJ-LJQANCHMSA-N 484.586 1.418 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C)C(=O)[C@H]1C 1540863875 HZCZCQFKUHVRQK-GFCCVEGCSA-N 450.341 1.015 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1540865443 GWXQUAVVPOVSMB-UHFFFAOYSA-N 455.563 1.283 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1540867975 NYOIEENUJATZAR-UHFFFAOYSA-N 484.008 1.914 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(Cc2cc(C)no2)CC1 1540868304 ZTFQRPRKTZDZBA-UHFFFAOYSA-N 451.531 1.875 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1540874726 PTHHWFLYFFUNLL-UHFFFAOYSA-N 452.559 1.883 30 10 JDEE CC(C)n1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCNS(C)(=O)=O)c2ccccc2c1=O 1541630444 FLLXNUHKPAZZSV-NRFANRHFSA-N 488.549 1.227 30 10 JDEE CN(C)C(=O)COc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)c1 1552745181 DNVZTMQUUICXAN-VGOFRKELSA-N 455.494 1.186 30 10 JDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(OCCOC)CCOCC1 1587979547 SLSOSHDWUWNSDF-UHFFFAOYSA-N 452.515 1.876 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1588060104 ZMMPNBNDAPXPPM-PKTZIBPZSA-N 485.654 1.651 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2C)CC1 1588139094 LMSOBOPRSONLBA-OAQYLSRUSA-N 467.595 1.724 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCOC[C@@H]1OC 1588595603 WQHXQPDHSARFCQ-QUCCMNQESA-N 462.572 1.486 30 10 JDEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1588877304 YTPMQPDQIQZUOM-OAQYLSRUSA-N 496.058 1.529 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCOC2CCOCC2)CC1 1588913549 MOCYTAPBCWVZJT-UHFFFAOYSA-N 452.559 1.892 30 10 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30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCOC[C@H]2OC)CC1 1300689161 QRKNXCOMSUIGDP-TZIWHRDSSA-N 473.599 1.155 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(C)=O)CC1 1300885241 OEKWDRAEWVZRDV-BJLQDIEVSA-N 465.620 1.609 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1300913669 YXIAGIWHCAUFBX-OKZBNKHCSA-N 450.609 1.836 30 10 JDEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1301253486 ZSFXOKCLOBKTNV-OAHLLOKOSA-N 458.544 1.810 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2cc(OC)ccc2n1C 1301296024 DDVPENWIIXGRLN-SFHVURJKSA-N 475.575 1.177 30 10 JDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1301491714 VTBBUNWZMNWWSW-INIZCTEOSA-N 456.572 1.752 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1301578568 DYTQQKJGLHLEEB-UHFFFAOYSA-N 454.556 1.937 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1301585749 NUVYXSBRWFDKTO-PVAVHDDUSA-N 465.601 1.858 30 10 JDEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1302204383 GWMQRVSOWDYIBY-UHFFFAOYSA-N 473.603 1.640 30 10 JDEE CCN1CCN([C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(C)(=O)=O)C2)CC1 1313944861 HXDKETZHPDPXPW-FQEVSTJZSA-N 457.604 1.078 30 10 JDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](N2CCOCC2)C(F)(F)F)c1 1315354567 HWTDAMBMPNWSME-OALUTQOASA-N 496.490 1.954 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1358913339 LLQIGDXOFRKSBJ-PKOBYXMFSA-N 461.592 1.142 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1358956029 YRVCYRWUBGTIMI-GOSISDBHSA-N 459.572 1.545 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1358959618 MIVZXXIBZWBXEM-HNNXBMFYSA-N 458.519 1.899 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1358960219 ZQPYIVRWKLIKSD-SFHVURJKSA-N 484.582 1.854 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1358965327 SJRFXSNGQATOJQ-LJQANCHMSA-N 471.608 1.613 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cc(F)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1358966791 WYFPMAAUGWKEMN-SFHVURJKSA-N 475.546 1.223 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1358967431 KFWWBCTVMAIXOL-FBBABVLZSA-N 492.573 1.674 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1cccc(Cn2cccn2)c1)[C@@H]1CCS(=O)(=O)C1 1358967474 LAVUCDZFGVVITD-OAQYLSRUSA-N 468.583 1.734 30 10 JDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1358999527 UMPFHNATXKSDSO-GBESFXJTSA-N 472.590 1.998 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(SC)CCN(C)CC2)CC1 1359038203 NFNVHODVSZTEIY-UHFFFAOYSA-N 456.664 1.722 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCN2CCC(O)CC2)CC1 1359043029 DJXFUNOWURVZOK-UHFFFAOYSA-N 451.575 1.153 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H](OC)C(F)(F)F)CC1 1359043819 KEVFFSKVFUBUIL-MRXNPFEDSA-N 453.469 1.612 30 10 JDEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359050060 FEMZUSLHPCJXGF-CQSZACIVSA-N 464.393 1.626 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1359051397 VLKPSWABONYHLX-NQIIRXRSSA-N 489.667 1.872 30 10 JDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1359121874 MAYWUHJKOXWLSZ-AEFFLSMTSA-N 471.649 1.587 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](CC)C1 1359133086 LHKBGCLNVAIFDE-DLBZAZTESA-N 459.638 1.536 30 10 JDEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1359199060 JTKLYWGNERHGKF-UHFFFAOYSA-N 497.556 1.717 30 10 JDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1359283466 RXDKLUDLFKPLRK-AWEZNQCLSA-N 452.968 1.577 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359292897 AFELTXBGULLSNY-MRXNPFEDSA-N 454.556 1.727 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1359296024 URXFFOWCWMKSHP-UHFFFAOYSA-N 497.991 1.676 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1359297101 FOYALIWJIOLKLU-MRXNPFEDSA-N 466.546 1.831 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1359310626 AZKSEUPAUSAORG-IRXDYDNUSA-N 472.512 1.559 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCS1 1504887680 DBVYQAUDYFGDGY-APWZRJJASA-N 472.637 1.263 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCO2)c1 1507550278 IPUGFSDPXFFVGV-AZUAARDMSA-N 471.583 1.806 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCOC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1507626770 HFQWOWZXQKYXMR-RBUKOAKNSA-N 462.572 1.916 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC[C@H](N1CCOCC1)C(F)(F)F 1507658162 DXXBVUDNZSPGAY-KRWDZBQOSA-N 454.497 1.532 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1507731189 CNOBMDLMKJMMDJ-QHAWAJNXSA-N 462.664 1.303 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)Oc2ccccc2)CC1 1507733351 VOJVJFAEQPVTPH-IBGZPJMESA-N 464.570 1.947 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cnc(C)s2)CC1 1507748069 ZOHVRZPUSKVRRI-OAHLLOKOSA-N 483.689 1.342 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1507762181 WJYPFCUSLCXNJX-DHIUTWEWSA-N 473.599 1.879 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1507823716 DXSYKQIKHKWBED-ICSRJNTNSA-N 487.630 1.392 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC[C@H]2OC)CC1 1507902775 NXIVFQTYMJJBPY-OTWHNJEPSA-N 453.609 1.829 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1507916781 UOEPQHSXPGFDPN-RTBURBONSA-N 494.662 1.805 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1508087535 CGQRWAVQPYAMAO-FQEVSTJZSA-N 458.607 1.949 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCNC(C)=O)C1 1508119510 VGGVLBJVMCBXNZ-KRWDZBQOSA-N 451.531 1.500 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1508134307 CRCDJZGIIKHPPG-GAJHUEQPSA-N 492.598 1.947 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)C1 1508184769 CQDBKPZRQMWROF-RXVVDRJESA-N 451.575 1.842 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1noc2c1CCCC2 1509951462 GUIDZYKFRJFQBG-KDOFPFPSSA-N 463.564 1.264 30 10 JDEE CO[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)C1CC1 1517839633 HZBVSVLSQIKOFS-ZWKOTPCHSA-N 452.581 1.166 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC(=O)N(C)C)c1 1539043035 MSAIGQNDJMQKLT-GOSISDBHSA-N 486.598 1.105 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CN(C)C1=O 1539337900 OBRBZGSUDIOTDR-NXMSCROESA-N 454.575 1.990 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccnc(OC2CCOCC2)c1 1539409015 LRBYMBCPODNBSI-UHFFFAOYSA-N 451.531 1.766 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCCS(C)(=O)=O 1539641818 GDYKPVWLSDIRHS-UYAOXDASSA-N 450.609 1.992 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C(F)(F)F)C1 1540904332 MFMUFDUPUZRHSR-INIZCTEOSA-N 484.504 1.885 30 10 JDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOC1=O 1544574822 BWBARLVMOABUGE-INIZCTEOSA-N 453.503 1.238 30 10 JDEE CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1548317923 CHUWVRSVNUQTHM-LJQANCHMSA-N 458.588 1.805 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1587803921 QAQYQGZLTBWKQP-FPOVZHCZSA-N 478.601 1.718 30 10 JDEE C#CCCCn1c(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1587893273 AYGLUUQWOYOYKX-YADARESESA-N 458.607 1.521 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1ccnc1C 1588473842 WSTSFQCNJOQFCX-INIZCTEOSA-N 459.551 1.872 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(Cl)c2)CC1 1588930390 VBWFJSMUVMFUNR-GOSISDBHSA-N 476.002 1.848 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nccs2)CC1 1589069800 OCRKLVNXSBVNBJ-INIZCTEOSA-N 466.658 1.720 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnn(C)c1C 1589496772 ZOANQIDFBHGEPK-HFTRVMKXSA-N 451.597 1.548 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1595497127 QMXQKBMCSARYBT-KRWDZBQOSA-N 469.571 1.378 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(F)c(F)c2)C1 1595730421 WATLACJZLLPZPH-FXAWDEMLSA-N 497.568 1.913 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1595805236 MDFBGXVIFDLQIL-HXUWFJFHSA-N 474.562 1.711 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCCC2=O)CC1 1595844879 IZDKZHWJSDJDHE-MRXNPFEDSA-N 470.665 1.789 30 10 JDEE C#CCN1CCC(NC(=O)[C@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)CC1 1596610355 PRJVZCSRUQQXKH-QHCPKHFHSA-N 451.564 1.548 30 10 JDEE CN(C)CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1617692151 IDYNQVAHSAAIHB-HSZRJFAPSA-N 455.538 1.945 30 10 JDEE C=CCN1CC[C@@H](N(C)C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)C1=O 1635209298 AUTFKJKQPBJPKA-IAGOWNOFSA-N 455.964 1.118 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](OCC)[C@H](CNC(=O)OC(C)(C)C)C2)c1 1640812117 DWFPYJCFWCGIGI-IEBWSBKVSA-N 465.572 1.600 30 10 JDEE Cc1cc(C)cc(OCC(=O)N2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)c1 1644949716 FAVLHLURJDVUFH-QHCPKHFHSA-N 455.603 1.519 30 10 JDEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 1662793860 LYULAAHLTULCCI-GOSISDBHSA-N 452.554 1.836 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCC(O)CC1 1689846471 KMAUFSRPVXMGGI-QGZVFWFLSA-N 459.620 1.543 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1689981758 AQRYXNYDPCKAQJ-ZHRRBRCNSA-N 493.536 1.652 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1689982863 WAUJIXPYXWFASU-WMZHIEFXSA-N 474.583 1.699 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H](OCC)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689988477 PWSAHEQCTQSXFJ-AABGKKOBSA-N 477.631 1.841 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1NC(=O)CC1(C)C 1690037283 SVWWFXFGMUMPPN-IBGZPJMESA-N 453.568 1.726 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc2c(cc1OC(F)F)OCO2 1690102177 FCCJVOHXKOVFPB-CQSZACIVSA-N 463.441 1.694 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC=CCO2)n1 1690108095 OZLFGMRPOWCJEL-HXUWFJFHSA-N 453.547 1.342 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1690122436 QVMRAYRUTDCEOU-KRWDZBQOSA-N 454.531 1.059 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOCCCO)CC1 1690138187 UUGYHAHTBCVXGY-UHFFFAOYSA-N 479.379 1.401 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCN(C)C2)CC1 1690140327 UYFMAPHKGQJETH-JOCHJYFZSA-N 457.966 1.026 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1F 1690206377 PFBLXBFXQXBMQL-WIYYLYMNSA-N 465.526 1.930 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCC[C@H]1CO 1690526742 CYKDDEROBILPGO-RTWAWAEBSA-N 459.616 1.807 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(CC)CCS(C)(=O)=O 1690662027 OTIVVCJZDNNTLR-UHFFFAOYSA-N 473.397 1.219 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690676323 WSTYVYKKCBQZOY-KRWDZBQOSA-N 467.979 1.826 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C(N)=O)C1 1690715143 DTNDTYRXEWARCS-HUUCEWRRSA-N 451.524 1.470 30 10 JDEE CCS(=O)(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1696503748 IAAUWVVQUQZMPT-NRFANRHFSA-N 487.630 1.305 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1696622850 DHMMEKVIMZYSRS-FQEVSTJZSA-N 458.588 1.961 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705490163 CZPRFRZRGUXCDV-ZWKOTPCHSA-N 497.625 1.804 30 10 JDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1705515630 IZLBCCJOWXRQAH-GOSISDBHSA-N 452.563 1.856 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705562820 KUEUNBKCEQIFHW-QGZVFWFLSA-N 487.582 1.463 30 10 JDEE C#CCN(c1nnc(C2CC2)n1CCNC(=O)c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1705567503 YAJLFFAKUJMPHD-GOSISDBHSA-N 457.556 1.221 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)NC(C)(C)C 1705626627 DBEYCOUURNZQGX-UHFFFAOYSA-N 451.531 1.985 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@](C)(O)C2CC2)CC1 1705650995 GABHXAFDCGWLQU-VWLOTQADSA-N 467.570 1.993 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC(NC(C)=O)CC1 1705737035 INBBMKHLIKXMRU-LMDPOFIKSA-N 453.609 1.656 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCC(OC)CC1 1705844160 WWRWRUBALQBZTE-GOSISDBHSA-N 470.640 1.123 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1705946958 VSYXTUXWHHZLAE-MOPGFXCFSA-N 469.677 1.648 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1705966017 XIOSHKUZZCGVBO-CCWVLBSLSA-N 478.557 1.095 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1706072522 DQPCKUTXSRNRQV-HNNXBMFYSA-N 472.575 1.116 30 10 JDEE C[S@](=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)CCC1 1712713492 BOXHYLLJFSDQNF-HKBQPEDESA-N 476.628 1.636 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCC(F)F)c1 1722308918 HXSPZUQGYFNNSM-INIZCTEOSA-N 481.525 1.518 30 10 JDEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCOCCOC)[C@@H]1CCS(=O)(=O)C1 1722360901 CRUNLMXITCULCO-LJQANCHMSA-N 469.567 1.783 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1722365156 KZSIENOPNPWABF-HZPDHXFCSA-N 456.540 1.981 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](CCOC)C1 1722688396 CLXDNQKOOCQQGK-QGZVFWFLSA-N 475.619 1.712 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1722700097 WLRMSUBKFHNLEB-XUZZJYLKSA-N 493.656 1.858 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722725529 MVQVNEVEOZBNKU-AWEZNQCLSA-N 458.993 1.823 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccc(C(N)=O)nc1 1740560689 NWZHKDKFJFZWAA-HXUWFJFHSA-N 472.597 1.643 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Cl)c(OC)c(OC)c1 1740610913 OQKDKSOVPGVUQC-KRWDZBQOSA-N 483.978 1.399 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1740615321 ATJAXHUYWIRPJV-INIZCTEOSA-N 479.965 1.982 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCS(=O)(=O)CC1CC1)[C@@H]1CCS(=O)(=O)C1 1740619037 FLJIQZJRGMFMFV-QGZVFWFLSA-N 498.030 1.445 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1740624782 KAEGWGLIRQRVNJ-HXUWFJFHSA-N 466.567 1.121 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)c2ccccn2)CC1 1740705158 BXBPCLQTEVQNJV-IBGZPJMESA-N 484.626 1.519 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC=CCO2)CC1 1740708380 NMUJGNMBTFENEY-SFHVURJKSA-N 468.583 1.581 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1740826247 ZNMZAHMXOGMBGP-SFHVURJKSA-N 480.635 1.416 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740850471 HKBUYJOYTOJBHG-HZPDHXFCSA-N 464.592 1.255 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N(C)[C@H](C)C1)C(C)C 1740924518 VBIXRIWQRQLQOJ-WOJBJXKFSA-N 457.623 1.880 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCc1nccs1 1740953294 AXYWSMYYCJNMDF-UHFFFAOYSA-N 460.585 1.786 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)(C)C(=O)NC)C1 1740973820 FCMPZVUXZVVQSV-GOSISDBHSA-N 490.630 1.749 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC(C)(C)C1 1740991898 HVZOPEMMYMIYKD-QGZVFWFLSA-N 499.634 1.803 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCCN(C(=O)C2CC2)CC1 1740991910 IDJIKDAPGLCJCQ-GOSISDBHSA-N 451.593 1.222 30 10 JDEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1740999495 JRWNIWWZBVPZCC-UHFFFAOYSA-N 488.589 1.511 30 10 JDEE C[C@@H](N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1)C(F)(F)F 1741894460 DEQLQCSILDBPNS-MRXNPFEDSA-N 477.491 1.748 30 10 JDEE CCN(CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)C 1746312700 FLYNQWZUJBAETB-UHFFFAOYSA-N 465.606 1.838 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCS(=O)(=O)CC1 1748673255 DMXRGIGGNWLZBU-SJLPKXTDSA-N 481.619 1.869 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CC2([S@@](C)=O)CC2)c1 1748691333 CIUFAZXTPGKDME-YUYWZBKDSA-N 485.610 1.898 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCCC2)nc1)[C@H]1CCS(=O)(=O)C1 1748802917 UACNVYCKKRMVLI-IBGZPJMESA-N 485.614 1.087 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748824206 KYOFMVAJLMKURW-VGOFRKELSA-N 462.547 1.784 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2(O)CCO[C@@H]2C)CC1 1748977904 DUKWMAKXOUIEEE-FOIQADDNSA-N 463.380 1.341 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCn2ccnc2C)CC1 1748979632 HPXCYRPRPYDFPG-UHFFFAOYSA-N 453.572 1.309 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(N(C)C)CCC2)CC1 1749003551 MUGWTTFAFBBSAA-VWLOTQADSA-N 472.634 1.769 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(C(C)(C)C)no2)CC1 1749008713 AKLNHMABCRLJJY-QGZVFWFLSA-N 453.547 1.529 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)C2CCCCC2)CC1 1749015463 WPTQUUGHTQTQBS-YADARESESA-N 491.658 1.477 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H](C2CCC2)C1 1749038622 VDEZYSKGMFGSOW-RBUKOAKNSA-N 483.660 1.230 30 10 JDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1749047535 YPMGCKYSMGHXRI-IBGZPJMESA-N 469.592 1.722 30 10 JDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749227017 XPUVPQRISPEEOK-UHFFFAOYSA-N 480.591 1.459 30 10 JDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)NCCCOC)CC1 1749617910 YOIZRTAAYAJGAT-UHFFFAOYSA-N 451.535 1.476 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1749740678 XVLZQNFUFFBFDU-INIZCTEOSA-N 478.550 1.153 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccccc2c1OC 1760116970 LWTSLQXYFZFUIX-KXBFYZLASA-N 473.555 1.872 30 10 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453.634 1.746 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC[C@H]1CCOC1 1507773555 SZCKEOGNXJTWTO-WOIUINJBSA-N 481.619 1.046 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1c(F)cccc1F)C1CC1 1508089117 DMXIJZRNEVUQRN-CQSZACIVSA-N 465.526 1.930 30 10 JDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508098018 MXYJFLCIWMAXTE-ZRGHVXQMSA-N 463.579 1.394 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1Cc2ccccc2C1 1508144093 AOOZGETWVJERGR-SFHVURJKSA-N 464.613 1.385 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CCOc2ccccc2)n1CCS(=O)(=O)N1CCSCC1 1539024940 BWFGHHYDGPTHHC-SFHVURJKSA-N 463.629 1.736 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1539072331 PLOMEPMOIOZPRR-MRXNPFEDSA-N 475.537 1.879 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539225881 RTZQMQKRQNDUTA-FQEVSTJZSA-N 472.615 1.001 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1OC 1539368639 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C=CCS(=O)(=O)CCn1c(N2CCN(c3ncccc3F)CC2)nnc1[C@@]1(OCC)CCOC1 1540908535 IUGOUIQRQMLKKN-JOCHJYFZSA-N 494.593 1.392 30 10 JDEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1541195890 GYENHXPNCPSZKT-UHFFFAOYSA-N 492.628 1.866 30 10 JDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1545145215 CTJAJVRSERAKFR-KSFYIVLOSA-N 474.587 1.217 30 10 JDEE N#Cc1ccc(N2CCC3(CC2)CN(C(=O)CN2CCCC2=O)C[C@H]3C(N)=O)cc1C(F)(F)F 1548375163 DUMXFIRCXLXNAZ-SFHVURJKSA-N 477.487 1.730 30 10 JDEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCN(CCC#N)CC3)cc2)C1 1561846179 AXVBJROMCUAEMV-HDICACEKSA-N 454.618 1.573 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(C3CC3)nc3c2c(O)nc(=O)n3CC)n1 1568521482 BPDHJOKMEDICTP-UHFFFAOYSA-N 450.499 1.513 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1588024352 ALAQOULUPGLDMT-MRXNPFEDSA-N 465.526 1.564 30 10 JDEE C#CCN(c1nnc(C)n1CC1(N2CCSCC2)CCCCC1)[C@H]1CCS(=O)(=O)C1 1588034762 LOIUXVNAIKFDDA-IBGZPJMESA-N 451.662 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COC[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1712137963 HDZJPGKBTRJKOL-IRXDYDNUSA-N 476.578 1.800 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1722308244 IWGLAANRWLQEGT-QYWGDWMGSA-N 466.608 1.795 30 10 JDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)NCCOC)CC1 1722332249 HAMPOUBHHBMTAW-OAQYLSRUSA-N 468.558 1.089 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722365541 MRLZEKUZEIPAPN-XWFZLUIHSA-N 479.002 1.689 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nccs1 1722398308 ZIEAHFBGTFKTKJ-DLBZAZTESA-N 462.601 1.334 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1722402246 JSVPYPUVHMKKJA-SJORKVTESA-N 468.624 1.995 30 10 JDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCSC1 1722414331 ZLLQTYCGMZBLBT-IERDGZPVSA-N 451.593 1.914 30 10 JDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CC2(N3CCOCC3)CC(OCC)C2)CC1 1722437475 NHAZDBFYYBDALD-UHFFFAOYSA-N 458.651 1.892 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[S@@](=O)CC)CC1 1722443241 FKRUCXIUBBJSQJ-YTTGMZPUSA-N 458.544 1.588 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)C(=O)NCC)CC1 1722443255 FSTCGHSQAWHDLJ-RUZDIDTESA-N 488.633 1.447 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1722448103 RMORUMRXQDKANW-QFIPXVFZSA-N 478.597 1.936 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)c(F)c1 1722461730 PQKAMHPBMOANGK-GOSISDBHSA-N 485.582 1.892 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(CC)c1 1722510004 RHCXGOPXCPJUPR-AQNXPRMDSA-N 493.634 1.445 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)Nc1ccc(F)cc1)C1CC1 1722651061 POZZBYHFOUXKMM-GOSISDBHSA-N 478.550 1.544 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnn(C)c2)CC1 1722739819 XOOATJZAFXETRA-INIZCTEOSA-N 451.622 1.160 30 10 JDEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1=O 1723468907 GQKVKOWXRWSDPJ-UHFFFAOYSA-N 468.558 1.575 30 10 JDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(=O)NCC(F)(F)F 1727009363 FLLBUFJDXXAZGF-KBPBESRZSA-N 465.484 1.847 30 10 JDEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCCN2S(C)(=O)=O)c2ccccc2c1=O 1728639547 BYNSKMGQZMNNDW-DLBZAZTESA-N 498.613 1.837 30 10 JDEE CO[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)C(C)C 1729886251 GRYMHNQYDNKIQI-ZWKOTPCHSA-N 454.597 1.412 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740618551 IXTUJJMPCFRJRK-LJQANCHMSA-N 473.599 1.685 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740619843 ADPDODXQNBYROF-QUCCMNQESA-N 460.604 1.257 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1Cc1ccccc1S(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740623208 PXCYVJRIOOXIMK-LJQANCHMSA-N 491.639 1.471 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](Cc1ccccc1)OC 1740671676 MEMMKGLMWHHKCK-PMACEKPBSA-N 461.588 1.328 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C)N2CCOCC2)CC1 1740707520 FULGVZYDZDLXHJ-NRFANRHFSA-N 480.613 1.852 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCCC)CC1 1740717522 VAGQAGJLEADXQS-RBUKOAKNSA-N 485.676 1.763 30 10 JDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1740958825 VTZCCXJFGCPWAG-UHFFFAOYSA-N 454.579 1.618 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](C)(C(N)=O)C2)cc1 1740967749 PDZIRZKTQBGTDK-HTAPYJJXSA-N 459.572 1.495 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1740992972 QDOYWIQYHASEBM-LJQANCHMSA-N 457.560 1.176 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC(C)(C)OC[C@@H]1C 1740994294 MMHOLSQLJFGYIZ-HNNXBMFYSA-N 467.617 1.874 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)cc2)C1 1741982974 CSXXYFACIZUZBL-GHTZIAJQSA-N 462.551 1.928 30 10 JDEE Cc1ccccc1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1742434560 CENKVHIMDQBYEU-FQEVSTJZSA-N 458.588 1.902 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1748731691 JGKOJHXQNPRHFV-HNNXBMFYSA-N 451.984 1.677 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccccc2c1OC 1748891612 BFHDFZAXWLRXTH-NRFANRHFSA-N 497.577 1.877 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1Cc1nnnn1CC1CC1 1748940192 FJSJSJPMXLJXLK-UHFFFAOYSA-N 451.510 1.640 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1748962269 DBLSFTRYOHWZHI-RBUKOAKNSA-N 495.646 1.913 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCN2CCC)CC1 1749015257 BBVAQVSRTPACTM-QFIPXVFZSA-N 466.634 1.980 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 1749020181 NPOUHMMTTDHLBO-UHFFFAOYSA-N 484.626 1.876 30 10 JDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749101842 GWTHGJPSTZKYMO-SGTLLEGYSA-N 453.341 1.505 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@]1(OCC)CCOC1 1749140478 PNANIFGOFNKFOR-HMKWGUBFSA-N 464.563 1.272 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2CCOC[C@@H]2C1 1749652813 TYAKMTULYBLQSY-WMZOPIPTSA-N 460.966 1.895 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC2CCOCC2)CC1 1749677789 KVLSHWFIYLERFW-UHFFFAOYSA-N 487.630 1.120 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1749682938 DGOWRPQYGBVTAJ-ONTIZHBOSA-N 466.542 1.754 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCN(C)C(=O)[C@H]1C 1749727564 XLRBIVOJYPWFBS-MRXNPFEDSA-N 454.556 1.761 30 10 JDEE CS(=O)(=O)C1(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1750191260 DYJWBRQYNFIBRX-INIZCTEOSA-N 451.936 1.816 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccnc1-n1cccn1)[C@@H]1CCS(=O)(=O)C1 1760182522 JVGIVMLMPFNIDO-GOSISDBHSA-N 453.572 1.831 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1760184734 KYMRAWKQMUVHAD-CQGGRAHPSA-N 450.586 1.349 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1760187739 FIEOTJJHJVATOG-LJQANCHMSA-N 466.567 1.505 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1OCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1760188716 LYYXPCWDIJMDQG-HXUWFJFHSA-N 495.609 1.351 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CC1(S(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1760193432 ZLVSFSHJGICQDI-MRXNPFEDSA-N 496.586 1.200 30 10 JDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(S(=O)(=O)NC)c1 1760202248 XNCUWFGTUQBPRB-UHFFFAOYSA-N 466.523 1.035 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1c(C)noc1C 1760233018 HTBZTWJDQDRYBT-PBHICJAKSA-N 450.565 1.479 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-n1ccnc1 1760234048 SDVLWJYKGZJVJK-FQEVSTJZSA-N 469.571 1.305 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(c2nc(C)no2)CC1 1760275431 XCMMQHTXTMRMES-CQSZACIVSA-N 467.621 1.504 30 10 JDEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760357355 BYYWLBIIHWUUST-UHFFFAOYSA-N 484.576 1.872 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1760441077 XTRCEUSWHBFTRN-HUUCEWRRSA-N 494.540 1.082 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1760517500 OBQKURFRXLECLN-INIZCTEOSA-N 476.603 1.501 30 10 JDEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1760662566 CPWPUILSNPIXBH-IBGZPJMESA-N 456.572 1.604 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CCCN1CCC(O)CC1 1767063588 GYQHZBCSFSQWAJ-UHFFFAOYSA-N 451.575 1.755 30 10 JDEE CCNC(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CCC1 1767192719 ACZRSEJNSZIJDW-KRWDZBQOSA-N 485.614 1.593 30 10 JDEE COCCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCO[C@H]1C 1771109843 AHKLFOUUJSLBDC-KKSFZXQISA-N 463.560 1.255 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCn2cc(Br)cn2)C1 1771530299 HFNQQGPGRRFQDW-KRWDZBQOSA-N 451.304 1.502 30 10 JDEE C=CCN(CC=C)C(=O)[C@@H](CCC)NC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 1868644456 YRMOUOJORJRBSD-WOJBJXKFSA-N 482.624 1.747 30 10 JDEE C=CCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CN2CCN(CCO)CC2)cc1=O 1870387823 UTQXAWUGXKZHAZ-QHCPKHFHSA-N 456.587 1.532 30 10 JDEE COc1cccc(-n2nnc3c(N4CCN(S(=O)(=O)c5ccccc5C#N)CC4)ncnc32)c1 1891414953 HFGSOLMLKMUUTJ-UHFFFAOYSA-N 476.522 1.602 30 10 JDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 1891985812 XDXHXDHDLWWVEL-SJLPKXTDSA-N 473.530 1.958 30 10 JDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)CCS(=O)(=O)C1 2060642103 RAHSTJCCHZGKOU-HXUWFJFHSA-N 458.386 1.619 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@@H]1C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2127628118 ABLHVCMKCGUSGE-BBWFWOEESA-N 452.357 1.508 30 10 JDEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C 2267011178 AIPUMQGMZDHVED-MRXNPFEDSA-N 451.373 1.813 30 10 JDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CNCCN1Cc1ccccc1 2267198159 USPBSMFEXAJPQJ-GOSISDBHSA-N 456.421 1.955 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267379449 YOBPPNQLGCIGGP-IAGOWNOFSA-N 468.381 1.556 30 10 JDEE C[C@H]1[C@@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267472930 YAGLONLEJUDSQE-ZFWWWQNUSA-N 470.401 1.396 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268786469 PCAFDQGBPPZABT-HIFRSBDPSA-N 467.397 1.819 30 10 JDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282347939 FKZOXHQMBLIBRG-ROUUACIJSA-N 482.408 1.898 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1COCCN1C(=O)OC(C)(C)C 2282581156 DGSXFVLJYYJOLX-HNNXBMFYSA-N 464.372 1.393 30 10 JDEE CCn1cc(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 2282587999 CKAHWHDULADRLN-STQMWFEESA-N 456.274 1.580 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282628462 NQXSASIDBGDGBJ-HOCLYGCPSA-N 462.356 1.124 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CO1 2282629382 VCZRTTFVIHLMBO-GOEBONIOSA-N 462.356 1.435 30 10 JDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282864211 COSJTGPGJAYHNF-IAGOWNOFSA-N 482.408 1.898 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)(CNS(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282871477 HVASJFVOIZHFDR-UHFFFAOYSA-N 486.371 1.385 30 10 JDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2283986957 UKDDOULDGXLZCS-MRXNPFEDSA-N 463.315 1.799 30 10 JDEE Cc1nn(C)c(C(=O)N[C@@H](C(=O)O)[C@H](C)OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2284432564 BAQVHNDMEQTHQF-MAUKXSAKSA-N 457.336 1.816 30 10 JDEE CC(C)(C)OC(=O)NC1([C@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CCOCC1 2318898961 DRXUGIOLHSGSDF-SJORKVTESA-N 453.584 1.832 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCC2(O)CN(C(=O)OC(C)(C)C)C2)n1C 2362333870 APTUIZZESYQCLK-UHFFFAOYSA-N 464.372 1.129 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](CC(N)=O)C1 2369308651 RWWCGFPYSCCTJP-HNNXBMFYSA-N 479.408 1.984 30 10 JDEE CC(C)(C)OC(=O)N1CC([C@H]2C(=O)NCCN2c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2379898174 WEXFKJXPFSWUBA-KRWDZBQOSA-N 458.368 1.553 30 10 JDEE COc1cc(NC(=O)CSc2nnc(N/N=C/c3cccc(OC)c3O)n2N)cc(OC)c1 21319035 OCYABIXDEYZCJL-LSHDLFTRSA-N 473.515 1.900 30 10 JDEE Cc1ccc(NC(=O)CSc2nnc(N/N=C/c3c(C)nn(CCO)c3C)n2N)cc1C 59914517 NZQBTKQFWODHGP-LSHDLFTRSA-N 457.564 1.591 30 10 JDEE C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)CC)cc2n2c(=O)n(CC(=O)N[C@H](C)CC)nc12 64581546 IQAFMTXIYNEUNC-CABCVRRESA-N 454.531 1.440 30 10 JDEE CCN(CC)c1ccc([C@@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72443827 OOYUVERGXMAYBL-MSOLQXFVSA-N 463.542 1.542 30 10 JDEE C#CCN(C(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 729332479 ZHDLTXTYAWJNNX-FQEVSTJZSA-N 466.625 1.833 30 10 JDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1ccccn1 729669766 UCJZLZVLJKSNTM-UHFFFAOYSA-N 484.585 1.757 30 10 JDEE COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(Cc3ccccc3)c2)c(=O)n1Cc1ccccc1 731232753 KBTCNLCIDGXBLG-UHFFFAOYSA-N 499.596 1.469 30 10 JDEE CCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)s1 1084279337 RWSUYOUZNRRXSK-UHFFFAOYSA-N 482.621 1.751 30 10 JDEE Cc1nnc(CN2CCCN(C(=O)CSc3n[nH]c(NN=Cc4cccc(O)c4)n3)CC2)o1 1084369828 VSXIPTAASVRILW-UHFFFAOYSA-N 471.547 1.474 30 10 JDEE C#CCCN1CCC(NC(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)CC1 1147843088 GNWNMOFCYRYVKQ-UHFFFAOYSA-N 457.600 1.673 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC1CC1 1286293895 AFWLXIYSZHCLSO-UWJYYQICSA-N 473.599 1.906 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1ccc(S(N)(=O)=O)cc1 1286299761 YQUOBGKVJNVGHW-SFHVURJKSA-N 494.625 1.800 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1286395991 TXHBKOOEDYNJKT-WVBUVRCRSA-N 462.547 1.456 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1286490594 YWCYJHLGHMRXJY-HSZRJFAPSA-N 494.644 1.838 30 10 JDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1286596096 UREQNACDFUOJMI-BRWVUGGUSA-N 494.618 1.103 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1286628449 AROYDDHOAAKQPZ-RBUKOAKNSA-N 498.005 1.950 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1286786320 BOWYEZKZWFCNKI-FXAWDEMLSA-N 451.531 1.673 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(OC)CCCC2)C1 1286810854 WQBFMGFGDLQZRQ-ROUUACIJSA-N 469.608 1.352 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CC(=O)N(C)[C@H](C)C1 1286817123 PQWJAWHHJBZOJG-MRXNPFEDSA-N 454.556 1.761 30 10 JDEE CC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)CC1 1286850427 FDOJLEILYGHFAE-UHFFFAOYSA-N 499.641 1.935 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2CCC(=O)NC)c1 1300336638 LZXKLTCIDYIBOB-UHFFFAOYSA-N 479.566 1.462 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1300491061 DOJGZDPARSXIFC-GOSISDBHSA-N 452.540 1.809 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1300883538 CPKZQXDORQHXDI-AQNXPRMDSA-N 474.606 1.674 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCN(C(C)=O)CC2)C1 1301543522 ZSYIXCWNJVSIKF-OAQYLSRUSA-N 469.546 1.799 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccccc2C)C1 1301557459 PCIZYCLFBJBWHC-PZJWPPBQSA-N 491.614 1.780 30 10 JDEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1 1301776405 YTCKKPQQCBCJEM-RTBURBONSA-N 467.574 1.506 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCC(N4CCNC4=O)CC3)n2CC(=O)NCC(F)(F)F)c1 1302986198 FTXOAXGMTURLJV-UHFFFAOYSA-N 476.463 1.489 30 10 JDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1303065340 BXCZOQDUOSHMHH-IRXDYDNUSA-N 451.597 1.277 30 10 JDEE CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCC2=O)CC1 1316351489 DUTBBLZDXXCHEA-UHFFFAOYSA-N 485.614 1.691 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1F 1358890341 OBHLLXVELRODGM-RDTXWAMCSA-N 451.524 1.265 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2nncn2CC)c1 1358902952 GJBNXMLQJCDAEP-UHFFFAOYSA-N 461.530 1.116 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cnn(C)c2)CC1 1359041887 LLVILMFSYXPFPN-UHFFFAOYSA-N 481.582 1.096 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1359216115 PJNCAFNGCIDTRQ-NHCUHLMSSA-N 480.679 1.378 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359333699 HANUGYBDPFZGBG-IBGZPJMESA-N 482.006 1.464 30 10 JDEE CC(C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1359640320 HWGDFULDKHSOSU-SFHVURJKSA-N 468.537 1.339 30 10 JDEE Cc1cc(C(F)(F)F)ccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1361006872 BAUDFESHILPRBL-CJNGLKHVSA-N 472.493 1.993 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)C1=O 1461475795 JIQAVLVQHVPPAA-QZTJIDSGSA-N 470.526 1.873 30 10 JDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1469359646 FCKKVAZQLSNHJS-XLIONFOSSA-N 466.560 1.865 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(Cl)c1 1507538680 OQGAYAUVMMUSIH-GUYCJALGSA-N 455.943 1.910 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cn2ccc(C)cc2n1)[C@H]1CCS(=O)(=O)C1 1507622636 KJVXXDDIRDLNNO-FQEVSTJZSA-N 497.625 1.828 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1507637448 AXHFZAPCGDTIGU-GOSISDBHSA-N 459.572 1.237 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1507639275 KBPRVIUKAADYDL-INIZCTEOSA-N 475.962 1.314 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)N1CCSCC1 1507653742 QWIJFHFUPCHBLL-HXUWFJFHSA-N 487.607 1.242 30 10 JDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(S(C)(=O)=O)CC1 1507750830 FUHWCTCGMIRRAQ-SFHVURJKSA-N 463.585 1.239 30 10 JDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1507846493 NKPJJRXYDAQNDY-OAQYLSRUSA-N 490.630 1.487 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1507955007 UGCZDKCNCSMIQV-DENIHFKCSA-N 479.578 1.814 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)C1CC1 1507994318 ZLCROGDRGOMUSW-BJLQDIEVSA-N 496.678 1.654 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1508160280 FHTSXVHHDFINDV-FGTMMUONSA-N 471.649 1.536 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1508160282 FHTSXVHHDFINDV-SQNIBIBYSA-N 471.649 1.536 30 10 JDEE CN1C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCNC(=O)C(C)(C)C)CCN2C1=O 1517407244 CVJVAQIYRIHAJS-SFHVURJKSA-N 450.547 1.535 30 10 JDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)c1 1526141963 GMOARJPTRSGAPE-OPAMFIHVSA-N 461.540 1.004 30 10 JDEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1539077423 BHVIQQURZUMDBD-UHFFFAOYSA-N 470.599 1.241 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1539124538 GWPUEUFLGWGWDR-GOSISDBHSA-N 492.627 1.048 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)Oc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1539216731 WMQNJPQVDYSPMW-PKOBYXMFSA-N 484.582 1.781 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539222392 VSGYVPVRIDVAFT-SJORKVTESA-N 451.593 1.104 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](Cc2ccccc2)OC)CC1 1539463129 UMAUAEYZBJCANX-QFIPXVFZSA-N 478.597 1.738 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCc2n[nH]c(C)n2)CC1 1539489365 LZKDDQUWMXKXTF-UHFFFAOYSA-N 466.521 1.631 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCC)CC1 1539632697 SWBMOKMTJLFALI-ZCNNSNEGSA-N 479.647 1.904 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1539635647 HFDOMZUIRIYTHS-QFUCXCTJSA-N 460.604 1.763 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)N1CCOCC1 1539643268 LUENAUZXEKTRBO-SIKLNZKXSA-N 457.579 1.416 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1540874657 NTEGTOAYEZHKHO-HNNXBMFYSA-N 491.346 1.563 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2cscn2)CC1 1540902546 LWQUBYGBRBHLKC-QGZVFWFLSA-N 466.633 1.552 30 10 JDEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CCS1 1542012101 DZHLVVUUXJCRAX-UHFFFAOYSA-N 456.572 1.919 30 10 JDEE CCCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1547257899 DXAYDNWBDXYPHB-XMMPIXPASA-N 468.581 1.611 30 10 JDEE C=CCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1)C(=O)OCC 1556643336 JRCNINKSWFCMCW-HOJAQTOUSA-N 452.573 1.948 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@@H]2C1 1587860985 DQLDNXLXYCSBHY-OALUTQOASA-N 460.579 1.521 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588035633 WHQZTUJCJCWPLS-NQIIRXRSSA-N 461.544 1.887 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN1CCOC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1588059733 TYHINNLLJDPZCB-HXUWFJFHSA-N 489.617 1.746 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCNC(=O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1588069014 FFMONYRBQQWITQ-LJQANCHMSA-N 497.577 1.815 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588069546 QFAIUTRDJSYTOM-LJQANCHMSA-N 473.599 1.588 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCS(=O)(=O)CC)CC1 1588876685 FIYDZQLNPBKKFW-HDICACEKSA-N 480.635 1.239 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCN2CC)CC1 1588890704 DVJWNOALOFOZPQ-HYBUGGRVSA-N 458.607 1.380 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCn2cc(Br)cn2)CC1 1588913497 KVIRJJGYOOZQHC-UHFFFAOYSA-N 485.390 1.909 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1O 1589070510 UIYQRONBZGEQCY-SFHVURJKSA-N 465.601 1.319 30 10 JDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1595319479 RWLLGCRTZJNFGZ-CQSZACIVSA-N 465.576 1.705 30 10 JDEE Cc1cc(NC(=O)CN2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)O)CC2)no1 1611968472 FOMBDAGNIMBBQX-UHFFFAOYSA-N 464.530 1.645 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1615937627 BGRSNCBCNDGTOT-NHCUHLMSSA-N 494.644 1.574 30 10 JDEE CCS(=O)(=O)NCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1 1617383161 DGWJAEDLVNHDKP-UHFFFAOYSA-N 494.021 1.931 30 10 JDEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCCCC1 1618302017 CFEDVSBXIFLHES-UHFFFAOYSA-N 451.575 1.988 30 10 JDEE CNC(=O)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1618498885 AJQUWYZAGLXXCA-LJQANCHMSA-N 465.558 1.736 30 10 JDEE CC(C)CS(=O)(=O)N1CCC(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 1633639687 DSBIUKHELQARHJ-UHFFFAOYSA-N 451.568 1.979 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2Cc3cc(C(=O)OCC)nn3C[C@@H]2C)s1 1635117515 WZAACNALMNHMMU-ZDUSSCGKSA-N 452.558 1.559 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1689892957 QNCZGOOTFADLNT-QRVBRYPASA-N 451.593 1.277 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1689983712 FWGURVJKGJJISF-SFTDATJTSA-N 452.584 1.928 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCC=C)cc1)[C@@H]1CCS(=O)(=O)C1 1689988180 KSACKWCDAWGONQ-UYAOXDASSA-N 469.567 1.469 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689996236 FQARFVPYGCHVKY-JOCHJYFZSA-N 481.626 1.903 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1COCCO1 1690048917 STDKNBYQACCRGM-UXHICEINSA-N 473.574 1.855 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCCCS2(=O)=O)CC1 1690113298 FSSAZNNXVXSDKQ-QGZVFWFLSA-N 495.447 1.769 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H]1COCCO1 1690196601 QNUFULUZFOQMAP-AUSIDOKSSA-N 473.599 1.993 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCOC)C(=O)C1 1690250479 IDSDRNIDQKBVAZ-DENIHFKCSA-N 457.579 1.416 30 10 JDEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1690644333 FBKBZRLEAHVBNX-YLJYHZDGSA-N 477.587 1.853 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690662275 XANHYBJFJURZRZ-MRXNPFEDSA-N 455.544 1.261 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1690677816 BHJXQJKEVUBZRM-LJQANCHMSA-N 471.537 1.332 30 10 JDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1696628343 BJHPKABVNUCLKU-AEFFLSMTSA-N 463.585 1.265 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cnn(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 1705567258 VDDSIAWZWKZEPC-ICSRJNTNSA-N 460.604 1.618 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1c2ccccc2C[C@H]1C 1705597966 XHFCLXYRXHLVDH-OFNKIYASSA-N 496.637 1.525 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@@H]1C(C)C 1705612720 NFNQGVRHNLKECK-CEXWTWQISA-N 453.609 1.522 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@@]2(C)COCCO2)n1 1705631748 PBBTVMCGGRGUIF-QHCPKHFHSA-N 453.547 1.572 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1705736457 SKFHTQHJEGEUTG-NRFANRHFSA-N 487.649 1.593 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(SCC)c1 1705843874 PYKARJGFNIBLBJ-INIZCTEOSA-N 452.606 1.789 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1705905280 PRLGAXMGUHTIEE-UHFFFAOYSA-N 494.575 1.690 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)c(OC)c2)C1 1705924880 GYFKUAMPTRKUGZ-FPOVZHCZSA-N 491.614 1.758 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@@H](C)C(=O)NC 1705935894 GECVSGGAYWKQBY-CRAIPNDOSA-N 463.560 1.210 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1705937488 VOJBRZMHQNVNED-OAQYLSRUSA-N 484.630 1.990 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(C2CCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1710886043 AUOIWYCPTHJMIR-QGZVFWFLSA-N 487.634 1.594 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC12CC(NC(=O)OC(C)(C)C)(C1)C2 1722275940 GQCUKXWYENTDAU-HCJULVCFSA-N 466.608 1.794 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)N1CCCCC1 1722295426 KEHYXTGOIDVICB-FHWLQOOXSA-N 452.625 1.333 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1722370275 MUIJGCZKFWENHL-KRWDZBQOSA-N 479.990 1.616 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCCCC2=O)CC1 1722433593 BGCZJUOBXKPANR-UHFFFAOYSA-N 484.626 1.506 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 1722450773 QJICAAKSGXMIRF-LJQANCHMSA-N 464.570 1.834 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1722450881 SQPBLAPUNMOBES-XMMPIXPASA-N 487.004 1.543 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1722494736 SICDIVWNHVETPT-BJLQDIEVSA-N 484.605 1.795 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ncnn1CC(F)F 1722505103 ITAQCLORGBMQAX-GLJUWKHASA-N 450.494 1.703 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C2CCOCC2)C1 1722538642 ZQNUDXIBCWAJOG-VQTJNVASSA-N 483.635 1.457 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2oncc2C1 1722588265 OKSJYPLWXBYSTE-QGZVFWFLSA-N 450.565 1.764 30 10 JDEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1722629919 PVYAEYBWMOUSBD-ROUUACIJSA-N 494.593 1.130 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722683093 DZFVIAMNRDLDAU-UHFFFAOYSA-N 482.632 1.242 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1722697753 OPYMZGVTUUUJIE-LJQANCHMSA-N 462.558 1.786 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@]1(C)CCCO1 1723615470 BLRDPUGCWTXOIA-KSFYIVLOSA-N 453.551 1.362 30 10 JDEE C[C@H]1CCCN(C(C)(C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)C1 1726552589 HFOTTZRKOGHDQS-AZUAARDMSA-N 493.678 1.861 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)c(OC)c1 1740550540 IXINBVCONURHNG-FXAWDEMLSA-N 461.588 1.629 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)N(C)C 1740554950 YGYYXKVLVWJFKW-DLBZAZTESA-N 468.624 1.742 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccco1)N1CCCC1 1740609837 PBHVVIYUEDNROQ-IEBWSBKVSA-N 462.576 1.111 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1740616962 JOBUQSOQIZVLBB-ULQDDVLXSA-N 471.649 1.341 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740627085 XSVLDFUCFHTVHC-OAQYLSRUSA-N 456.616 1.765 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(CN3CCC(O)CC3)cc2)CC1 1740707509 FNCVWUVBYJXVRG-UHFFFAOYSA-N 494.640 1.785 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1740752166 UEMGCZDMSZDWFH-WHZJULEDSA-N 496.678 1.417 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1740875623 GTNVFVNRFCMMAR-IEBWSBKVSA-N 463.608 1.380 30 10 JDEE C=CCNC(=O)Cn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740966305 XNOVIDGMDAVOCI-XMTFNYHQSA-N 487.605 1.598 30 10 JDEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740998441 MSERGUGCRUJJLV-HNNXBMFYSA-N 472.571 1.029 30 10 JDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1741006206 CRPCFNHOIVUCJX-BBWFWOEESA-N 464.592 1.394 30 10 JDEE CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C 1747664368 AZDPEWNKXWDYHJ-UHFFFAOYSA-N 483.573 1.186 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)CCC)c1 1748692044 BZMFMOXLNKKMRD-MBSDFSHPSA-N 473.599 1.788 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)CN1CCN(CC)CC1 1748788663 CJKDNRQJZFHBAI-SFTDATJTSA-N 489.665 1.930 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1748805824 WVLHYZDSGOXVMK-MAUKXSAKSA-N 473.393 1.466 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1748820012 XHKIMDKDUXMKTL-FQEVSTJZSA-N 481.578 1.956 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)C 1748945384 RXNGVRHCRXSTLK-SFHVURJKSA-N 461.563 1.731 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749032178 XIMGWYVMEQFZPW-XLIONFOSSA-N 456.620 1.034 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C1CCC1 1749229577 LTMCXEPCAOGXGU-MOPGFXCFSA-N 453.609 1.973 30 10 JDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 1749241452 NUXQMEOEKBCEGP-UHFFFAOYSA-N 465.558 1.057 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1749738407 MGXUSFDBLGQFPA-MOPGFXCFSA-N 464.592 1.125 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749754834 AIPQFNUYUBQWGQ-SXLOBPIMSA-N 496.703 1.088 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1760186257 LMWLYUIOLKNPKD-QVKFZJNVSA-N 452.527 1.935 30 10 JDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1760186277 LQSLYMJLYDZOKL-NYDSKATKSA-N 490.582 1.205 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C[S@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1760193183 WDLFKMUMHMKUQS-ISOMHIKHSA-N 476.624 1.683 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)CN1CCN(CC)CC1 1760202064 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1.766 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1508105894 QMKYUHCXIZJDKY-QXAKKESOSA-N 488.614 1.749 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1508132279 WPTNDYZJVAOHLA-MRXNPFEDSA-N 470.559 1.254 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC([C@@H]2CCOC2)CC1 1508132494 YZFSKNGIEMMKPA-GOSISDBHSA-N 451.593 1.368 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](CN2CCCCC2)C1 1508140991 KTBORMONXUCYPR-MSOLQXFVSA-N 450.609 1.142 30 10 JDEE CN(C)S(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1517021175 DDAYZNGBZDJIMJ-LJQANCHMSA-N 473.603 1.262 30 10 JDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1518958170 FBKXSDWIMJDECW-YKSBVNFPSA-N 454.575 1.763 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN(C)S(=O)(=O)CC 1539016081 SPUGYILBRRTEFS-ZWKOTPCHSA-N 498.650 1.716 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1539200222 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C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(c2cccnn2)CC1 1690729369 NGNJGHKZFKRKKY-UHFFFAOYSA-N 483.598 1.883 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C(C)C)CC1 1690743580 DDIWIXGTKHXGDN-QGZVFWFLSA-N 455.650 1.794 30 10 JDEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1690947785 HQHGXMHYLVYQDU-HXUWFJFHSA-N 485.614 1.451 30 10 JDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCSC1 1696646755 FMKNNJRVIKFDIT-MSOLQXFVSA-N 476.628 1.952 30 10 JDEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCOCC2)CC1 1696975832 HUTSOBIOXDGNIG-GOSISDBHSA-N 451.575 1.890 30 10 JDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1705566396 NPDYJCIJOOQYBA-HXUWFJFHSA-N 454.556 1.794 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1705650106 MQXZURBHWFEZLE-DEOSSOPVSA-N 468.989 1.966 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1705651426 WPTDADRDPXRJGO-BXKMTCNYSA-N 484.626 1.787 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705659372 UBJOMRPLIAFUIO-OAHLLOKOSA-N 472.596 1.182 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705694688 SSFTZILBPGWGCD-FPOVZHCZSA-N 473.622 1.142 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705698897 ZXJKWLOJECOTNK-CGXNFDGLSA-N 495.694 1.086 30 10 JDEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705724465 PNWXXJAMNTWAKJ-CRAIPNDOSA-N 452.515 1.611 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705735477 RQZIOWABLHREGX-OAQYLSRUSA-N 488.633 1.705 30 10 JDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1705736172 MZAMGWXYSUFYMT-UHFFFAOYSA-N 466.546 1.246 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705792309 QOMIMKSNPDNNFU-NRSPTQNISA-N 492.690 1.771 30 10 JDEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)COC)CC1 1705804608 HMLGEOVBJAZPMQ-UHFFFAOYSA-N 475.619 1.890 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1705904332 MMGFYUQNXLBXNM-ULQDDVLXSA-N 486.664 1.024 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2OCCC2(C)C)C1 1705926223 ZSXWGWUXWMBZDS-FGTMMUONSA-N 469.608 1.207 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1cccc(F)c1 1706074649 BVVXETINNYUXDN-JTDSTZFVSA-N 480.566 1.813 30 10 JDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1709908637 DITARUXJSOXIQK-KOSHJBKYSA-N 468.558 1.981 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1722359462 MZVGNUIZLGJKSO-SFHVURJKSA-N 463.991 1.997 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1722492435 SJMKXNHRRHEPSQ-NNXHMXCWSA-N 477.653 1.127 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1722523468 VBLPUPWFPDXWQM-LSDHHAIUSA-N 466.530 1.260 30 10 JDEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1722591028 DIOVVSNQYCILHZ-UHFFFAOYSA-N 481.601 1.374 30 10 JDEE C=CCNC(=O)Cn1c(N2CCc3nc(C(F)(F)F)ncc3C2)nnc1[C@@]1(OCC)CCOC1 1722703956 MFYZHQPBHQREPB-HXUWFJFHSA-N 481.479 1.604 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)O[C@H](CC)C1 1722728823 ZGTRVMUAWVUNIC-IAGOWNOFSA-N 486.598 1.797 30 10 JDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C[C@H](C)O1 1730609751 IBJVPBCEPIDFIK-QFBILLFUSA-N 475.571 1.546 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC2(S(C)(=O)=O)CC2)c1 1740561516 BGXOYAALYWOVBB-UHFFFAOYSA-N 472.571 1.050 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1740581478 YRXOHKJYUDSOAJ-KRWDZBQOSA-N 478.594 1.772 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC(=O)NCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740619878 AMFFNWDDXWBOQC-IBGZPJMESA-N 466.567 1.606 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 1740623230 QFEFLKOGLVYYPQ-UXHICEINSA-N 455.584 1.715 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1740625542 QYKYXLOJQYEHEF-VQTJNVASSA-N 461.636 1.497 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)c1ccccc1 1740657710 WMBPVGNCLYROMM-LJQANCHMSA-N 474.608 1.507 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)N(C)C)cc1 1740686103 OKKYVYNNGWZRTC-SFHVURJKSA-N 474.587 1.408 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 1740690335 ISONFHOTUHCAKU-FHWLQOOXSA-N 466.652 1.485 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740764789 YSBMKSCPFKECBZ-CUWPLCDZSA-N 460.604 1.956 30 10 JDEE C=CCn1c(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740949763 RIZPAOQKVGKOHW-RDPSFJRHSA-N 454.575 1.853 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(N)=O)C1 1740969043 JNRGAFPUNVJNMD-MSOLQXFVSA-N 459.572 1.495 30 10 JDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccc(S(C)(=O)=O)cc2)CCOC1 1746733094 FAEFWAFDHQRUEC-GCJKJVERSA-N 475.571 1.305 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2cccn2)CC1 1748752317 VBXVFDVPIZLHCC-LJQANCHMSA-N 461.592 1.138 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748817764 PVWZYFPRXDVZLU-KSEOMHKRSA-N 471.627 1.929 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(=O)NCC)CCC1 1748830976 CBNFFEGIPUDLBF-UHFFFAOYSA-N 453.568 1.728 30 10 JDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1748851990 SQRQETRWQALPGS-HSZRJFAPSA-N 460.582 1.855 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CC1(C(N)=O)CCOCC1 1748889408 IUUNGIYNPBAAHL-UHFFFAOYSA-N 451.527 1.707 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCO[C@@H]2CCOC2)CC1 1748984114 GHDZIXGGXLENET-HXUWFJFHSA-N 455.559 1.913 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(C=C)cc2)CC1 1748988748 AECYBDCHZRHMBX-JOCHJYFZSA-N 484.626 1.252 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@](C)(O)c2ccsc2)CC1 1749008895 ITWIXZSHCZYWTH-JOCHJYFZSA-N 453.572 1.614 30 10 JDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749408351 HRWJFIFDXYEREV-KRWDZBQOSA-N 452.519 1.658 30 10 JDEE C=CCCCn1c(COCC)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1749438230 SISOEHICCPJVRQ-ZACQAIPSSA-N 469.608 1.907 30 10 JDEE C=CCCCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749440139 SLBCQQXKBHUUQR-HSZRJFAPSA-N 462.595 1.859 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N(C)C 1749554609 WVTYJTOAWRVQQM-QGZVFWFLSA-N 482.632 1.343 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1749677602 FJVDZKYDCFVDAE-UHFFFAOYSA-N 450.547 1.825 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2OC)CC1 1749730697 NGAHFNIDJATQQM-UHFFFAOYSA-N 471.587 1.615 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nc2ccccc2[nH]1 1760175791 RIOCUXRTTZKRDV-GOSISDBHSA-N 457.560 1.190 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1760180427 FGRZPKOCZIQBCC-URXFXBBRSA-N 487.626 1.671 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1760188725 CJMJMVABWVSDFJ-LJQANCHMSA-N 483.598 1.058 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760223572 VVIPJTWTKNIDSE-NRFANRHFSA-N 462.959 1.523 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCC[C@H]1C 1760241821 LAZIWYLELJZSQQ-DUXKGJEZSA-N 491.589 1.815 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccnc(OC(F)F)c2)CC1 1760261798 WRNUSEGZTLQRBW-UHFFFAOYSA-N 456.501 1.940 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2ccc(C(N)=O)nc2)CC1 1760267863 DBLPYNAUMMBAHQ-UHFFFAOYSA-N 473.537 1.462 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC(C)C)nc2)CC1 1760270471 XZLKLLSMYWJMEJ-HXUWFJFHSA-N 452.559 1.978 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccnc2OCC)CC1 1760273489 WJNJZJVZGSCDDG-SFTDATJTSA-N 482.585 1.810 30 10 JDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](CC(N)=O)C1 1760281086 LHSIWURLPYLIOM-SFHVURJKSA-N 468.631 1.910 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F 1760479841 BYOTXNFWNKALOR-KRWDZBQOSA-N 496.515 1.923 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1760520676 WJNGNEOUOBJFSA-SFHVURJKSA-N 468.606 1.155 30 10 JDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760523098 MDWQIFSCJFIVFZ-HNNXBMFYSA-N 457.560 1.247 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCC(=O)N(C)C 1762289904 HNGNILBDNSEGPX-UHFFFAOYSA-N 481.605 1.658 30 10 JDEE Cn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1767501581 DSRIODLCPRMJKV-OAHLLOKOSA-N 459.436 1.498 30 10 JDEE COCC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1 1769632627 HNORSKCEKDDPJW-LJQANCHMSA-N 468.558 1.874 30 10 JDEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2CC(=O)NCC2CC2)cc1 1770735286 GWXIQKQTPMNROS-QGZVFWFLSA-N 475.475 1.848 30 10 JDEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865722113 KCECYOPMQRMSEL-LJQANCHMSA-N 474.517 1.660 30 10 JDEE Cc1ccc([C@H](C#N)NC(=O)[C@H](CO)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 1867924686 GFCWADHELYHSSD-VXKWHMMOSA-N 486.484 1.856 30 10 JDEE CCc1nc(C2=C(N)N(c3cc(C(=O)OC)cc(C(=O)OC)c3)CC2=O)sc1C(=O)OC 1872724740 PQLYZFAXICVAES-UHFFFAOYSA-N 459.480 1.782 30 10 JDEE CO[C@H](CCNC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256623492 QNSPMLMBJWBERT-CQSZACIVSA-N 455.386 1.988 30 10 JDEE Cn1ncc(C(=O)N[C@H]2COCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267506679 BQVFSFSYBXFNCM-CQSZACIVSA-N 450.345 1.085 30 10 JDEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267713725 DKXRZZJEDIRVNS-OAQYLSRUSA-N 470.397 1.540 30 10 JDEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282302002 JAZBIJOLQBCXOY-WFASDCNBSA-N 477.314 1.601 30 10 JDEE C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282350147 JKTFWRRIIJPFLC-CQSZACIVSA-N 484.428 1.643 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@H](F)C[C@H]2CNC(=O)OC(C)(C)C)n1 2282506344 QWSYOFNCEVEXID-KGLIPLIRSA-N 488.391 1.345 30 10 JDEE Cc1nc(S(=O)(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282510170 VKBKSLKDNYEENV-ZFWWWQNUSA-N 484.428 1.704 30 10 JDEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282533017 GIJRCELNZUWKQM-UHFFFAOYSA-N 465.331 1.479 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 2282589939 VHBHRFSXSFWVNM-HUUCEWRRSA-N 464.372 1.302 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@@H]2[C@@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)n1 2282835791 BKKOWSMTOVZXNS-IIAWOOMASA-N 482.412 1.253 30 10 JDEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282868419 MYBSYJMKFWYCMV-KBPBESRZSA-N 485.416 1.038 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@H]12 2283060833 OBMQVJLYVMUFAQ-KFWWJZLASA-N 460.340 1.140 30 10 JDEE Cn1cc(C(=O)NC[C@H]2[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2359267106 PGLOXTGLTVQRMB-JYJNAYRXSA-N 460.384 1.952 30 10 JDEE CCO[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2359278490 WJDIHPDKRSWEEW-GDBMZVCRSA-N 464.372 1.711 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)n1 2362079305 BTICSLWQZXYZOR-HNNXBMFYSA-N 486.444 1.937 30 10 JDEE CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 8218933 FIFSBOWKHSUGDL-RSDUFEJWSA-N 463.656 1.972 30 10 JDEE in-vitro C=CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)CC1 33233821 FZLLFLKBVWUFQI-UHFFFAOYSA-N 462.616 1.151 30 10 JDEE CCc1nnc(CNC(=O)CSc2n[nH]c(N/N=C/c3cc(OC)c(OC)c(OC)c3)n2)o1 59883738 SPGHCKWKROAWBY-ODCIPOBUSA-N 476.519 1.630 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCC(NC(=O)c4cnn(C)c4)CC3)nc12 108223837 NVFVQHUADSSLBI-UHFFFAOYSA-N 478.582 1.952 30 10 JDEE CS(=O)(=O)N=C1C=CC(=C(O)/C(=C(/S)NC[C@H]2CCCO2)[n+]2cccc(O)c2)C=C1 728556075 QDGHTFYLXUNPHC-QGZVFWFLSA-O 450.562 1.843 30 10 JDEE Cc1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnn4ccccc34)c2=O)c1 729668298 FXUFIMYBAJUHSG-UHFFFAOYSA-N 471.542 1.217 30 10 JDEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cccnc3)n2)cc1 1084047229 HVNWEXPQPPYFIH-UHFFFAOYSA-N 460.545 1.675 30 10 JDEE CC(C)(C)NS(=O)(=O)CCNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1221488909 BPKHAVKQIZCZCS-UHFFFAOYSA-N 459.576 1.498 30 10 JDEE C#C[C@H](NC(=O)NCCc1ccc(OCCN2CCN(C(C)=O)CC2)cc1)C1CCOCC1 1226340144 KKLPAFMRZDSFCL-DEOSSOPVSA-N 456.587 1.500 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1286310432 YGJDCCMCPKHCNR-LNVKXUELSA-N 461.526 1.984 30 10 JDEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1286389432 JYTCCEUJCPKQSA-OSPHWJPCSA-N 498.609 1.463 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCCSC)[C@H]1CCS(=O)(=O)C1 1286391228 DAYMXMCRDYQAEF-IRXDYDNUSA-N 474.674 1.340 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCOc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1286393715 GDXZUCQMTOQGER-IBGZPJMESA-N 489.573 1.635 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2nccc(C(F)F)n2)CC1 1286473457 SXAIQBRCBDBHFO-JOCHJYFZSA-N 461.517 1.850 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1286473955 WQJDXCKZSIJJRJ-AVRDEDQJSA-N 485.585 1.778 30 10 JDEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286541350 ZZZDFRIPFKEOPL-AWEZNQCLSA-N 463.311 1.064 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286546678 KXXYAGSNRHKYQV-KURKYZTESA-N 468.624 1.163 30 10 JDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286724594 KBKGYTMCAPVQHS-QGZVFWFLSA-N 460.608 1.356 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1cccc(F)c1 1286726925 KTOXVWRCQLRVDM-MAUKXSAKSA-N 453.540 1.840 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCC1 1286749102 KCFLYQXZIDEOOE-QGZVFWFLSA-N 467.617 1.780 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCS(=O)(=O)CC)C1 1286801862 JJCBIQFYRBKDJW-QGZVFWFLSA-N 468.601 1.565 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1286825432 RADSSJWVXNXBCD-KZNAEPCWSA-N 488.676 1.811 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@H]2CCS(=O)(=O)C2)c1 1300334545 PFYAFWLLOQUQQE-LJQANCHMSA-N 478.578 1.755 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCc2ccccc2)C1 1300409563 IRLSGPQTPSFMBE-SFTDATJTSA-N 473.599 1.820 30 10 JDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccn(CC)c1=O 1300438293 KFPFYOLYUHZZAR-UHFFFAOYSA-N 453.572 1.846 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCNC(=O)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1300497436 BMNCTRGCSHTHOE-LJQANCHMSA-N 496.568 1.460 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OCC)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1300503863 GREJXFYROQLYMI-SFHVURJKSA-N 474.583 1.798 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1300503984 HSVIBKCDIBJYGY-WOJBJXKFSA-N 451.637 1.809 30 10 JDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCN(CC)CC2)nc1 1300545747 WMESENGLOMOVAY-UHFFFAOYSA-N 460.586 1.059 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCn2cc(CO)nn2)CC1 1300681902 CFFXCOZRKZFYGV-OAQYLSRUSA-N 478.601 1.964 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)c2ccccc2F)CC1 1300681953 FSPOGWZNNDSOHL-UHFFFAOYSA-N 476.516 1.250 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1300731299 NIIKELVCNPFXGL-NRFANRHFSA-N 464.526 1.110 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1300823259 ARVMFMIZGXAWJS-UHFFFAOYSA-N 492.378 1.867 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC)C[C@@H]1CCCO1 1301496748 GLYCLWSMMDVSDN-KRWDZBQOSA-N 465.558 1.982 30 10 JDEE CO[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)C 1315192936 CISGRNDOHMXFLX-WMZOPIPTSA-N 476.607 1.153 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1358904606 HWZCQUKNJFMBOU-SFHVURJKSA-N 476.651 1.364 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](COC(C)C)C1 1358913415 NSSIOWKLEJPXHW-MOPGFXCFSA-N 469.608 1.045 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1358958486 PFNQHUNQSBYRRI-IBGZPJMESA-N 484.582 1.565 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1359043860 LVSUBKWKDSLREG-UHFFFAOYSA-N 484.605 1.948 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cc(F)cc(F)c2)CC1 1359044761 NZKAMGJEHVKBNU-LJQANCHMSA-N 456.497 1.716 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(CS(C)(=O)=O)CC2)C1 1359312087 NIAYHCSTVONVLT-MRXNPFEDSA-N 460.560 1.532 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1359333572 CAINPAMXDRXNAV-GOSISDBHSA-N 461.617 1.411 30 10 JDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 1449335385 JYYTUMLUITUYFC-GHMZBOCLSA-N 451.895 1.961 30 10 JDEE C=CCCOCCCCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1456313312 CQMKONKOSFZCOP-UHFFFAOYSA-N 451.545 1.613 30 10 JDEE C#CCN(C(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2)[C@H]1CCS(=O)(=O)C1 1464387948 YTDQCRKTNYNHAF-IBGZPJMESA-N 452.598 1.273 30 10 JDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)CCNS(=O)(=O)/C=C\c3ccccc3)C2=O)cc1 1467706177 FRIVBZXRXFHEIL-OKULMJQMSA-N 452.536 1.756 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 1475974492 XFOBRXUHYCSATF-QGZVFWFLSA-N 456.590 1.525 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1507637479 BFBAXQBXHFNZLI-IBGZPJMESA-N 484.582 1.270 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1507640057 OIQPREOXMNVZRQ-VQTJNVASSA-N 459.620 1.108 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)N(C)Cc2ccccc2)CC1 1507740217 YMOOPPYZZQXUGU-OAQYLSRUSA-N 464.570 1.406 30 10 JDEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507829957 MKJWTRNWNSXKGM-KRWDZBQOSA-N 451.531 1.592 30 10 JDEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507833186 ALFVRUULIIDAKP-NRFANRHFSA-N 487.674 1.689 30 10 JDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1507847283 JGUYXVMWZMLDIR-OAHLLOKOSA-N 458.485 1.498 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1CCN1CCCS1(=O)=O 1508005037 NIFBSTOXNAJGKY-UHFFFAOYSA-N 464.567 1.784 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCc2ccccc21 1508039694 PIUNZHLUAOEHKQ-PZJWPPBQSA-N 475.615 1.980 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1508090292 GSOFZJNIOAJJCR-UNMCSNQZSA-N 468.602 1.933 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1539220788 LOPHTSHRZQLNIS-RAJLDSNDSA-N 452.577 1.076 30 10 JDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(N2CCOCC2)CCSC1 1539378279 WJBVRNLPPUMASO-JOCHJYFZSA-N 474.656 1.937 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(OC)CCOC2)CC1 1539483330 XKEPKAPOGOPJIN-RUZDIDTESA-N 467.570 1.649 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC(C)C)CC1 1539614668 BDKIKZUXDVXECX-FHWLQOOXSA-N 498.650 1.784 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCN(S(C)(=O)=O)CC1 1539648115 ZICZMYKWFQEIPN-MJGOQNOKSA-N 451.618 1.993 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(CO)c2)CC1 1539890636 QZZZJQVKWAYUMG-FQEVSTJZSA-N 461.588 1.554 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1540868730 PKZGBXTYWKMAPC-UHFFFAOYSA-N 471.997 1.847 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1540874978 XWIWYGFRKRZKLV-NRFANRHFSA-N 468.602 1.935 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(C)(OC)C1 1540901825 QOJMAXPNJWNZIN-UHFFFAOYSA-N 458.544 1.018 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1540903523 FUORPYVSRGRSQC-OAHLLOKOSA-N 488.582 1.761 30 10 JDEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1545148115 HYCOKXLQVYNMSN-FDDCHVKYSA-N 456.547 1.037 30 10 JDEE CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1548315944 FFYRJKNNXHMZST-KRWDZBQOSA-N 466.571 1.757 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2COCc2ccccc2)CC1 1563427986 YACKNIPPGVQNPQ-UHFFFAOYSA-N 456.568 1.698 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588049275 DJQKRFHHUIKZCF-HSALFYBXSA-N 471.631 1.730 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCNC(=O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1588055293 VBTGDSGCFODNIF-SJORKVTESA-N 461.544 1.169 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN1CCN(C(C)=O)CC1 1588128755 RGULJYKBBBSOBP-UHFFFAOYSA-N 457.538 1.837 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1588954227 BOGMGCMSIIPRPB-OYRHEFFESA-N 479.629 1.729 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(=O)NC(C)C 1589053954 XUSNJDNALWTYRD-UHFFFAOYSA-N 453.572 1.519 30 10 JDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1589089494 SFXNURNKNWLAIN-UTKZUKDTSA-N 487.699 1.989 30 10 JDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1589406665 ZBZCSNRYHZSLKH-IRXDYDNUSA-N 485.427 1.354 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1589495976 UZTWJNIMBJWTEF-FAJBIJEISA-N 463.608 1.597 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1593741125 JFSNPWZYHDFQDO-HXUWFJFHSA-N 452.559 1.713 30 10 JDEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1593914348 HBKZRNISGJSKCQ-KRWDZBQOSA-N 455.906 1.954 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1ccnc(OC2CCOCC2)c1 1596840121 BJKITRZZXQAXHS-QGZVFWFLSA-N 453.547 1.997 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cccc(Cn2ccnc2)c1 1611676847 DWTXKSSEHIZPTL-QGZVFWFLSA-N 468.587 1.921 30 10 JDEE C#CCN(C)C(=O)NCCNS(=O)(=O)c1cc(Br)ccc1Br 1668400461 PRGKERDALGTMRU-UHFFFAOYSA-N 453.156 1.765 30 10 JDEE C=CCN1CCC(NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)CC1 1678392109 ZALBNIRVJAFJGI-QRVBRYPASA-N 463.579 1.861 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCC[C@H](C)C1 1689853045 OHIYHUJGVAZKBD-VJANTYMQSA-N 452.625 1.189 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689982295 KKCMUPMAEKVPTG-IMSXRSKXSA-N 493.674 1.679 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1689982996 YPVNLSCXJBNMPW-JPYJTQIMSA-N 495.646 1.108 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(CN2CCOCC2)CCCCC1 1689999427 AOVUYJQMDZPUTG-HXUWFJFHSA-N 476.647 1.244 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ncccc2Cl)CC1 1690143849 DQADEOWHPNGCBS-KRWDZBQOSA-N 471.949 1.322 30 10 JDEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1690156551 YCWIKJCNGWDGLA-OAQYLSRUSA-N 460.991 1.930 30 10 JDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1690308688 WQSCZLIAJPJMJO-UHFFFAOYSA-N 466.546 1.990 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 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C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1705562504 DJEGHVRRXMHWRL-JKSUJKDBSA-N 476.990 1.535 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1705568406 NBXVPBJVYSAWAP-AQNXPRMDSA-N 460.604 1.318 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCCC1=O 1705598964 STQMDZTYIRAGJK-JOCHJYFZSA-N 479.606 1.814 30 10 JDEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705600818 MZMPSYZIWUYXEQ-FQEVSTJZSA-N 455.584 1.644 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=C)Br)CC1 1705636466 LPGONFKEYIFUBV-UHFFFAOYSA-N 454.336 1.585 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1705651710 GDLBNGJJHIKHNF-DLBZAZTESA-N 451.622 1.601 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705730577 LMMQXGBOYGBCEW-UHFFFAOYSA-N 476.541 1.876 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1705890697 CQGUQRDAAKGJOP-LSDHHAIUSA-N 454.578 1.140 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705899335 PHIOPSSFQKHVHV-CQSZACIVSA-N 497.419 1.528 30 10 JDEE C=CCNC(=O)Cn1c(N2C[C@H]3NC(=O)CC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705908537 ROSBVDLDVCJXQF-WCXIOVBPSA-N 473.578 1.066 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@@H]1C 1705912240 DTCYSYYFXXLHBG-HOTGVXAUSA-N 462.576 1.168 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C(=O)NC)c2)C1 1705916340 OXKPYZAYLMKFEI-CRAIPNDOSA-N 462.576 1.078 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC(N3CCCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1705938754 IPXMTCJLOUNQJA-HSZRJFAPSA-N 481.663 1.986 30 10 JDEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1706245913 DQYBNDZVQSKOHL-SQJMNOBHSA-N 465.602 1.967 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1Cc1nncn1C 1708753724 ACJAERKMKMYXOC-UHFFFAOYSA-N 476.589 1.567 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(c2ncccc2F)CC1 1711419492 FNWHTRWTYWSIFM-UHFFFAOYSA-N 484.561 1.617 30 10 JDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1712102664 BCEPWMPOPGIRIS-PMACEKPBSA-N 481.601 1.611 30 10 JDEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1712687665 GKFMNXSGHODBBM-IEBWSBKVSA-N 477.612 1.655 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(c2ccccc2OC)C1 1722277636 NYXZXHLZQHMYCY-RCCFBDPRSA-N 460.604 1.881 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCCS1(=O)=O 1722291804 FDXYJOXZHSIJRJ-ROUUACIJSA-N 480.635 1.886 30 10 JDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1722321748 KLBHOEBHGADASY-OAQYLSRUSA-N 457.623 1.159 30 10 JDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722329994 OWPQWYRGYGGFBL-GOSISDBHSA-N 452.515 1.848 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1722357839 AQEKSBPVOFMTPJ-SFHVURJKSA-N 461.592 1.028 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1722359017 HYQLRJQFVRWZDN-YWZLYKJASA-N 468.938 1.516 30 10 JDEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1722364029 WGIUPGMAHYQZEP-SFHVURJKSA-N 466.567 1.646 30 10 JDEE C#CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722368238 PWZNKSZOSLXFKI-TVFCKZIOSA-N 479.603 1.794 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CC1(O)CCS(=O)(=O)CC1 1722424702 WTQIMZMNIASWBQ-UHFFFAOYSA-N 497.415 1.733 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CC=CCO2)CC1 1722437456 MWMHYWZRIVZVJU-WOJBJXKFSA-N 472.590 1.687 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)N(C)C2CC2)CC1 1722443510 KNICEWNNIXIZBY-UUOWRZLLSA-N 458.607 1.379 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1722457562 GHIWOUOFMINBBU-HNNXBMFYSA-N 474.612 1.428 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nncn1C 1722654785 VOSBSSDHIHGRIU-KRWDZBQOSA-N 457.560 1.558 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1722698492 ZYEZBOHNXDBXLI-QGZVFWFLSA-N 492.584 1.379 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1722698522 GUGDCEBHOBSLNI-KRWDZBQOSA-N 471.558 1.715 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722699414 HWJJYIGAQWWZPT-XMSQKQJNSA-N 483.592 1.299 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1722729729 VKZCBFVNSGPCSD-UHFFFAOYSA-N 478.582 1.458 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN2CCOC[C@H]2C1 1722732412 YUYJXGLTZXBXHX-GOSISDBHSA-N 465.551 1.118 30 10 JDEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722743392 XZXDLGRQEIVWMV-GOSISDBHSA-N 470.599 1.540 30 10 JDEE CC(=O)N1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CCC(C)C)CC1 1722797132 HILJTSJMWWCVCL-FQEVSTJZSA-N 479.651 1.110 30 10 JDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1 1724437533 DKUGMKHFPROLQE-PKOBYXMFSA-N 460.560 1.176 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2CCS(=O)(=O)CC2)c1 1740562089 GICRWAQSAAMESX-IBGZPJMESA-N 484.582 1.110 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCN2CCN(CC)CC2)c1 1740563066 QJGXXUMQUFTKIE-UHFFFAOYSA-N 489.628 1.762 30 10 JDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1740564891 BETRVVIJJDHTSK-FQEVSTJZSA-N 455.607 1.451 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1740617060 LADBBNVVAVAOMV-DENIHFKCSA-N 464.588 1.292 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740626085 RYNUQJLBEHKLDR-CTNGQTDRSA-N 458.584 1.929 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccccc2c1OC 1740640590 QNMAMDUSYGPTEB-HXUWFJFHSA-N 483.550 1.487 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC)c1OC 1740640679 SZVIILIEDYZORZ-GOSISDBHSA-N 472.567 1.522 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1740690117 HAQBKCKZPJPSFN-MSOLQXFVSA-N 461.563 1.747 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCNS(C)(=O)=O)CC1 1740703374 QDLUVABCRVMCHV-UHFFFAOYSA-N 484.626 1.263 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCC(=O)NC(C)C)CC1 1740704780 XOJKBWWCOWJYHY-UHFFFAOYSA-N 466.542 1.554 30 10 JDEE C=C(Cl)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(=O)N(C)C[C@H]1C 1740803011 FZRPNSZFKQBGSU-CYBMUJFWSA-N 451.984 1.966 30 10 JDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1740873659 WODAKFUOOJMXMB-KURKYZTESA-N 491.618 1.771 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1740951138 CTFCJHAHKDNABZ-SFHVURJKSA-N 452.563 1.540 30 10 JDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1740987279 RLGWWYVVMBTWET-FQEVSTJZSA-N 458.588 1.115 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1741664783 HAQNXHLWYIXHIH-WZONZLPQSA-N 458.611 1.489 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCOC2)CC1 1741703831 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1705934814 YGXJQICCRXNZJE-UHFFFAOYSA-N 487.561 1.810 30 10 JDEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC1 1705981252 LJMATJLOLMCADT-QHCPKHFHSA-N 454.531 1.593 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCOCC2)CCCCC1 1706069581 FTZROXLTPWNNEK-ZWKOTPCHSA-N 467.640 1.519 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCNC(=O)C(C)(C)C 1706622029 HQXMLVBZHIEZPJ-UHFFFAOYSA-N 480.617 1.772 30 10 JDEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)no1 1707299016 GBUBMWHLFSKGDZ-GOSISDBHSA-N 485.570 1.839 30 10 JDEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1710564815 GJJHYOQBFYGORO-VGSWGCGISA-N 492.577 1.979 30 10 JDEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1712417675 GJWJZIOCULFORB-HXUWFJFHSA-N 460.604 1.798 30 10 JDEE C#CCN(c1nnc(C(C)C)n1Cc1ccccc1CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722357999 BVTJGXIXPKBZOR-JOCHJYFZSA-N 471.627 1.909 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 1722359779 AYXGWYVNMSZDIA-INIZCTEOSA-N 458.494 1.883 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1722362641 NZDCBSDMQLDPDF-IBGZPJMESA-N 450.528 1.125 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1722365045 BSVDUGCBCKUFQW-WKRCXCSHSA-N 484.644 1.155 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCc2cccnc21 1722384031 MHIZRHXOUNUOJF-UXHICEINSA-N 468.583 1.199 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(SC)CCN(C)CC2)CC1 1722429756 RKRQYTXZXJICNK-UHFFFAOYSA-N 461.680 1.779 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(Cl)s2)CC1 1722431324 JIFLAVCWVGYPFQ-CQSZACIVSA-N 457.025 1.601 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)Oc2ccccc2F)CC1 1722441371 PEOPXSAKOCTYTI-QGZVFWFLSA-N 470.549 1.989 30 10 JDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)(C)C)CC1 1722483767 CQAQJQHNYVSUFG-OAHLLOKOSA-N 491.456 1.440 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCN(CC)CC1 1722518084 UGRQTMRGLBOQHM-VQTJNVASSA-N 483.683 1.039 30 10 JDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722589780 XBBMVZOHDIFOMD-QHCPKHFHSA-N 457.579 1.817 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N(C)C[C@@H]1C)C(C)C 1722662923 PSEDVFUAILRVKG-PMACEKPBSA-N 457.623 1.880 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1722695171 VYEJAVYMFSSIIS-OAHLLOKOSA-N 463.560 1.278 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1722697555 LVFAHLVGLRMBOS-HXUWFJFHSA-N 483.598 1.837 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1722702830 RSWYDDPRSYLYEY-SFHVURJKSA-N 460.485 1.559 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1722725562 NOXYUQVEZDSJDT-UHFFFAOYSA-N 482.632 1.191 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCOCC2)CCCCC1 1740532888 MLFQUNZCTUCKRF-ZWKOTPCHSA-N 452.625 1.381 30 10 JDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NCCCOC)CC1 1740589295 UOOHWAZWOARZSP-UHFFFAOYSA-N 491.596 1.975 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOc2cccc(OC)c2)CC1 1740591025 LPBJDONKYNHUHS-HXUWFJFHSA-N 487.626 1.803 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1740624040 CYVASQUNXJBYGH-QGZVFWFLSA-N 491.639 1.713 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1740627128 YKTOCNXYDRYMLU-IEBWSBKVSA-N 496.559 1.775 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(O)CCS(=O)(=O)CC1 1740683357 DEWBIQAPTJWPJK-UHFFFAOYSA-N 484.582 1.157 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2C[C@H]2CCCS(=O)(=O)C2)n1 1740688106 ALPIDLNFOUSTHH-GOSISDBHSA-N 460.604 1.853 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@H]2CCCN(C(C)=O)C2)n1 1740688815 KGRVWOTVMKCJJY-FQEVSTJZSA-N 477.573 1.476 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1740947196 RRATXQVSBMVKOY-SJORKVTESA-N 484.623 1.633 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1740952025 SCGMWUQZTOWNLS-VQHPVUNQSA-N 496.634 1.220 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740954792 GTDZHUFPSIMYSO-HXUWFJFHSA-N 497.556 1.031 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1740960779 ANNKOGMCVQFIBX-INIZCTEOSA-N 468.537 1.885 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(=O)(=O)CC)CC1 1741003619 YQGBDUYGFICHJT-HNNXBMFYSA-N 462.663 1.503 30 10 JDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCCCC1 1747664525 CHUXSOBTKQFWPT-UHFFFAOYSA-N 465.558 1.514 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1748717779 IKGZQYGJZIWTOH-QZTJIDSGSA-N 496.634 1.518 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1748750971 AFZXPYFUUWJCSO-QFIPXVFZSA-N 486.642 1.655 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1748816108 WZUCGUBRWAVSCN-ZWKOTPCHSA-N 457.556 1.107 30 10 JDEE C#CCN(c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC)[C@H]1CCS(=O)(=O)C1 1748820675 GUVIELXLUIVDSD-QFIPXVFZSA-N 470.643 1.680 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748944650 ARXIJBUJJBDYNA-MJGOQNOKSA-N 474.562 1.290 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(Cl)cccc2OC)CC1 1748972817 RIKUBEBQXKVHLM-HNNXBMFYSA-N 466.995 1.354 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1749039597 XEUGQSMEWXQQSS-RBUKOAKNSA-N 478.644 1.265 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1 1749129086 AMYVQDKSFKRMPL-QYZOEREBSA-N 451.593 1.220 30 10 JDEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749257037 HIPCVLORCRGRIG-UHFFFAOYSA-N 455.950 1.550 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(S(C)(=O)=O)CCCC1)C1CC1 1749519223 GUKDPCSCERNLFE-KRWDZBQOSA-N 487.648 1.123 30 10 JDEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CCN1CCN(C(C)=O)CC1 1749545103 SQFNRUSHQRCQIZ-UHFFFAOYSA-N 471.631 1.932 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749650585 BZHSGLLIHXXHFI-KXBFYZLASA-N 460.510 1.201 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1749655910 SZGPJGJTMWXUDG-UHFFFAOYSA-N 462.558 1.989 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)CCN1CCOC(C)(C)C1 1749732553 YTJWGWGGQIRAGF-SFHVURJKSA-N 455.625 1.320 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1749735438 SNBNQYNFHSMSRS-SJLPKXTDSA-N 450.565 1.177 30 10 JDEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)=O)CC1 1749752435 PSEYMIFOQVICHN-UHFFFAOYSA-N 463.633 1.826 30 10 JDEE C=CCSCCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749764127 SILJZDOYTBQKRX-IBGZPJMESA-N 459.638 1.320 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCNS(C)(=O)=O)C1 1751273561 GDIJLTMDONAQKC-OAQYLSRUSA-N 454.560 1.810 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760147270 MAENCCSYLRBJAD-UHFFFAOYSA-N 479.628 1.670 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(S(=O)(=O)NC)c1 1760208441 COURZMLFXJHOMW-UHFFFAOYSA-N 477.550 1.345 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N1CCOCC1 1760241194 RSJCZXLVKXSLNY-LJQANCHMSA-N 454.506 1.257 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C)C2CCCCC2)CC1 1760268325 HXJZUUSRTREFHS-HXUWFJFHSA-N 455.607 1.460 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1760268657 VFOAPPVFIFHPQK-SFHVURJKSA-N 467.505 1.038 30 10 JDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1760283444 MUTJCEZYRSQZDQ-UHFFFAOYSA-N 459.645 1.401 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760300207 BPKNOKXJNOAIBN-ZDUSSCGKSA-N 492.444 1.427 30 10 JDEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760302423 CMUODUODMUDSTH-GFCCVEGCSA-N 466.727 1.049 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cncn2)C1 1760307922 YGFDYYOXVKGVAY-KBPBESRZSA-N 456.370 1.522 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1760523993 MNCQDIUJOMCWLM-HNNXBMFYSA-N 460.564 1.529 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760525243 YUZMMIGWHIZKNY-KRWDZBQOSA-N 451.980 1.838 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccccc2F)CC1 1760526262 JCKHLBSAUQVCNW-UHFFFAOYSA-N 452.538 1.908 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1760527130 NKCDUJSXLGBVDM-UHFFFAOYSA-N 454.575 1.821 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760528391 BACFZEOZHANPMR-CALCHBBNSA-N 490.609 1.203 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1760556171 WIDHNJOXZMRRIJ-SJORKVTESA-N 451.593 1.268 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)C1CCC2(CC1)OCCO2 1760556377 BNAIXGPFNMNXDL-UHFFFAOYSA-N 461.588 1.987 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccc(F)cc1 1760695188 CGQWOKZWPZFMGI-FQELHTAISA-N 480.566 1.254 30 10 JDEE C=CCn1c(C(=O)N(CCO)Cc2ccccc2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873562789 SWVHEPFDHAEBOA-UHFFFAOYSA-N 462.554 1.954 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@H]1C(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2127629941 MYUJPCWVXJMJHW-QAETUUGQSA-N 454.373 1.802 30 10 JDEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2255637519 HQELUNLFUGOIEE-CYBMUJFWSA-N 453.370 1.808 30 10 JDEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267169289 JTMJGTOJKIUROD-NRFANRHFSA-N 467.397 1.934 30 10 JDEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2267246960 VHEVWFSCLZXVHA-SFHVURJKSA-N 456.421 1.988 30 10 JDEE CN(C[C@H](O)COCc1ccccc1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267349512 VOGQOYFKOSYSSD-IBGZPJMESA-N 462.377 1.579 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCC(C)(C)NC(=O)OC(C)(C)C)n1 2267469219 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JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC2(O)CCOCC2)c1 1507550242 IENAOYKJPSTHEZ-UHFFFAOYSA-N 460.538 1.862 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1507588027 DUZMMSOJUGVDLK-VQTJNVASSA-N 490.634 1.149 30 10 JDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1507592932 VTUGGJGJFABUOT-HXUWFJFHSA-N 456.591 1.526 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1507640571 TVRLUSFIURAEEI-MSOLQXFVSA-N 478.546 1.428 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nccc(C(F)(F)F)n1 1507643169 RLUOWNVNQKGDGG-CYBMUJFWSA-N 455.466 1.013 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)Cc1cccc(F)c1 1507658409 JMRGGACUWJEWAQ-UHFFFAOYSA-N 450.518 1.475 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)N2CCN(CC)CC2)CC1 1507732541 OTJPIKOYXHUEAF-NRFANRHFSA-N 469.609 1.777 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2CCN(C(=O)OC)CC2)CC1 1507735996 CTTJSQRHAKDDGV-UHFFFAOYSA-N 467.574 1.728 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CCCN2CCOCC2)CC1 1507754717 PCLCZFKXCUSHFI-FQEVSTJZSA-N 460.648 1.924 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCN1CCOC(C)(C)C1 1507808916 VRGVUCUOCXQAGI-FHWLQOOXSA-N 484.667 1.417 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1507943585 JYHGQCFPNIOHPA-MRXNPFEDSA-N 464.567 1.842 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1508091121 LSTLPUBYQQQHRL-LPHOPBHVSA-N 489.598 1.841 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1508135680 LFDJCFBDCJJMAV-SFHVURJKSA-N 468.601 1.568 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 1508145648 NZXSDZKPBBTCTR-UHFFFAOYSA-N 461.588 1.535 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1508161091 KSBMQSVPTJOKGF-MRXNPFEDSA-N 489.623 1.832 30 10 JDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCOCC2)CC1 1513194872 CGCRYNQZIHPRCT-LEWJYISDSA-N 494.644 1.574 30 10 JDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)C[C@@H]1C 1519205617 FJCFQTJHFGNELE-FQEVSTJZSA-N 480.617 1.138 30 10 JDEE C=CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O)[C@H]1CCS(=O)(=O)C1 1528600093 RANIXLQACULYKD-ORAYPTAESA-N 457.911 1.448 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1539205439 IOYXCKIBYRGGIA-KNKQGSTJSA-N 466.604 1.516 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1539210346 BTAKGNGWHGEURR-GOSISDBHSA-N 496.593 1.930 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1539212144 NCJCXIJLJXKZOT-QZTJIDSGSA-N 476.555 1.004 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCNC(=O)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1539219521 KYVSUSRIOVBHII-FQEVSTJZSA-N 457.600 1.842 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539231550 SZMIUNCPHKUZPR-BVSLBCMMSA-N 487.626 1.765 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1539265921 KTPYQAIAROGVMN-FKBYEOEOSA-N 490.674 1.442 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCC(OC)CC2)CCCC1 1539267074 WDVJNVDNJJVDAA-FQEVSTJZSA-N 473.643 1.677 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(F)c(F)c1 1539416415 NUCNXAQGCOPFLY-HNNXBMFYSA-N 454.499 1.623 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCN2CCOCC2)CC1 1539434270 GLLZMQJJFMTCCO-UHFFFAOYSA-N 476.423 1.903 30 10 JDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](CCC)OC)CC1 1539446462 ZUWICKKTROVRLS-GOSISDBHSA-N 459.620 1.809 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC(OCC)C2)CC1 1539460047 TYAVNWDCESVMLH-UHFFFAOYSA-N 450.543 1.414 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1539477409 LOAJOJSSFIHHJJ-OALUTQOASA-N 480.617 1.589 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1539477822 ZOXZOISVOLJDCZ-YADHBBJMSA-N 499.660 1.332 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1539557350 REJIADNFWCMJGP-YZZKKUAISA-N 473.574 1.656 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1539729370 IEFZDUYGOXPQNG-ZWKOTPCHSA-N 454.641 1.792 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC2(CC2)C1 1540871025 BRNQEHGTKRTWBQ-KRWDZBQOSA-N 476.578 1.506 30 10 JDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 1543756835 NEVCVYGSCNMGJN-HUUCEWRRSA-N 453.989 1.627 30 10 JDEE CCN(CC)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1547492261 GLDXJXIGLQVEST-LJQANCHMSA-N 468.610 1.201 30 10 JDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N1CCOCC1 1548299419 FXCAOUDZUITKJY-MSOLQXFVSA-N 460.604 1.797 30 10 JDEE COCCN1C[C@H](Cn2c(N3CCN(c4nccnc4C#N)C[C@@H]3C)nnc2C(C)(C)C)CC1=O 1555576173 APILFDNRUAWRRS-ZWKOTPCHSA-N 481.605 1.447 30 10 JDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1568566078 UNRRIZPRFPRFNI-OAHLLOKOSA-N 456.590 1.591 30 10 JDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)COC)CC1 1587754780 MLZPLEPORPHNPN-UHFFFAOYSA-N 473.603 1.337 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1588070262 XPSQKXFMJKAJLR-CVDCTZTESA-N 485.566 1.161 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1588733480 UXUJIHBPHWMZIC-UHFFFAOYSA-N 466.533 1.100 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN(C)Cc2ccccc2)CC1 1588811713 MUOAQHCDTAOKIR-JOCHJYFZSA-N 470.643 1.458 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCSCC(F)(F)F)CC1 1588884555 FAZCTDVMHCPGIF-UHFFFAOYSA-N 460.526 1.678 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(SC)CCN(C)CC2)CC1 1588962145 WJCZRFLZGGJFCD-UHFFFAOYSA-N 498.701 1.933 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ncccc2F)CC1 1588985928 XMVYLBRIMBBZTD-HNNXBMFYSA-N 482.607 1.837 30 10 JDEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1594797439 ABUJQRPKTZXWJE-UHFFFAOYSA-N 480.573 1.313 30 10 JDEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1cn(C2COC2)nn1 1595266729 LFSARRASYSJQIF-UHFFFAOYSA-N 477.367 1.896 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1595517303 WNJBRYCVUGGNED-SJORKVTESA-N 470.530 1.589 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(C(N)=O)CC1 1595773023 MSQMKOBDPZEAFH-UHFFFAOYSA-N 467.979 1.910 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1595884573 NPHRMNLKAUKYOS-BSDSXHPESA-N 471.649 1.249 30 10 JDEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C(N)=O)nc1 1611761091 CYLORAHJTLNHCG-ZBFHGGJFSA-N 451.462 1.828 30 10 JDEE CCO[C@@]1(c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@H](C)COC)CCOC1 1616252443 DESGBCIHSHPQCV-MBSDFSHPSA-N 455.563 1.806 30 10 JDEE C#CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1)C(=O)OC 1626183755 JVWIKWYENMARBT-GOSISDBHSA-N 458.492 1.943 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N(CCN2CCOCC2)[C@H]2CCSC2)ccc1F 1636848754 QQZIPDSZEWPKOE-KRWDZBQOSA-N 457.593 1.570 30 10 JDEE C=CCNC(=O)Nc1ccc(NC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)cc1 1654180132 YFHNEZNCWSPQPX-UHFFFAOYSA-N 451.487 1.937 30 10 JDEE C#CCn1ccc(CN(CC)C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)n1 1677477675 NFDODFAZJMCPCZ-HXUWFJFHSA-N 459.572 1.705 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(CC(F)(F)F)CC1 1689892494 GWMIUKGFEHMZEN-QGZVFWFLSA-N 492.568 1.489 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc2c(c1)C(=O)NCC2)[C@H]1CCS(=O)(=O)C1 1689990795 RUNVCKDVMZSCMV-IBGZPJMESA-N 469.611 1.828 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](COC)OC 1690048950 UNKMZPPEESVYGC-OALUTQOASA-N 461.563 1.711 30 10 JDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690168184 ZMTILUCUZFOLKE-UHFFFAOYSA-N 470.599 1.894 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCC2CC2)CC1 1690174516 DVDUDRBMJSXCJY-LJQANCHMSA-N 483.660 1.373 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCN1CCOCC1 1690174547 DZVQNQWBHBROQI-LJQANCHMSA-N 494.662 1.721 30 10 JDEE C#CCSCCn1c(N2CCCN(Cc3cnn(C)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1690186625 SCYWGZFCUALTCH-HSZRJFAPSA-N 473.647 1.742 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1690236415 MKVISTQQPJYKLQ-HKUYNNGSSA-N 482.651 1.648 30 10 JDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690511114 QERKQHCBADKDCI-UHFFFAOYSA-N 453.551 1.319 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CCNS(C)(=O)=O 1690567993 WYSHGCYRESQRCQ-UHFFFAOYSA-N 450.540 1.395 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](C(=O)NCCC)C1 1690667255 XAYUQPLXJRZSDC-KRWDZBQOSA-N 454.531 1.719 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(Cl)c1 1690671451 WFTIEAVDEISCAB-QGZVFWFLSA-N 482.994 1.203 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(N3CCOCC3)CCCCC2)C1 1690685598 AHURIECHUSSEPI-UXHICEINSA-N 496.678 1.705 30 10 JDEE COC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)OC 1697752414 HZVGPYMISLRKTO-HXUWFJFHSA-N 456.547 1.997 30 10 JDEE CS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1698306793 IAYNMLPXUKAZAI-UHFFFAOYSA-N 480.554 1.168 30 10 JDEE C#CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCC)[C@H]1CCS(=O)(=O)C1 1705563527 ZAXIFXUJTRKTNR-IBGZPJMESA-N 454.560 1.738 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(CS(C)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 1705566436 OIKNLMPAKFDONI-LJQANCHMSA-N 487.607 1.493 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1 1705628496 IMWXZTGBDRZMRA-LJQANCHMSA-N 465.551 1.079 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1705640320 NDWVALIQOJMYEE-IBGZPJMESA-N 460.579 1.045 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCOCc2ccc(OC)cc2)CC1 1705642266 NIWWRGDCRDXVRF-UHFFFAOYSA-N 452.559 1.381 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCC2(C)C)CC1 1705644918 GIQBFMJQUGGHOY-AEFFLSMTSA-N 464.636 1.680 30 10 JDEE C=C(Br)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705684280 LBBGEEHLCHFALI-INIZCTEOSA-N 459.348 1.563 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cnc3c(Cl)cnn3c2)CC1 1705762625 DTRZLKYHLRFWKS-AWEZNQCLSA-N 464.983 1.984 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(SCC)c1 1705843875 PYKARJGFNIBLBJ-MRXNPFEDSA-N 452.606 1.789 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1705902530 GPBRKIWEFWCVAN-DLBZAZTESA-N 478.644 1.940 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1705906365 BNSTUCXDSDTYBO-FQEVSTJZSA-N 468.602 1.978 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1705933073 TVSZWYPSOWLWSP-HTAPYJJXSA-N 462.572 1.939 30 10 JDEE CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H](C)C1 1705995866 JZODHAOGDPSLJQ-IUBFCHALSA-N 477.569 1.761 30 10 JDEE Cc1ccc(O[C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1707527797 ABBRHDMYNDXSDU-YZGWKJHDSA-N 490.586 1.116 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1711072431 CRJVRPZIZLVSTP-GOSISDBHSA-N 452.544 1.525 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722358852 MPPQVJDTYRIBQX-QGZVFWFLSA-N 494.618 1.056 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1722362481 BENYDFXZHOIZNR-QPPBQGQZSA-N 488.610 1.486 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722368552 SXYNKMISESGTHK-LZNRXBQRSA-N 498.671 1.138 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCSC)CC1 1722449830 QCKFYSNDDWBXAX-UHFFFAOYSA-N 460.629 1.989 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2Cc2cc(C)nn2C)CC1 1722451167 ZAYSOLDEDAUVFV-UHFFFAOYSA-N 477.569 1.922 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CC1)COC(=O)N2 1722454791 MZSBZVWZJVOFPU-UHFFFAOYSA-N 475.596 1.794 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1722459162 DSIGPIZLLHWDPJ-SFHVURJKSA-N 487.651 1.570 30 10 JDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1722459557 MUOBCALICHWYSJ-OAQYLSRUSA-N 468.627 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499.540 1.729 30 10 JDEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1749050330 ZGHNDJGZYGILEX-IAGOWNOFSA-N 455.650 1.645 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1749136133 KNANMATXKGWEMC-RDPSFJRHSA-N 487.649 1.372 30 10 JDEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749218386 NDTMRMUCOWPMDA-FQEVSTJZSA-N 466.586 1.982 30 10 JDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)OC 1749326906 BUBLSZXSKRCTPR-LJQANCHMSA-N 462.576 1.338 30 10 JDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CCS(=O)(=O)CC1 1749471455 OAXGFHKFCUBXJJ-UHFFFAOYSA-N 467.617 1.642 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(C)noc1C 1749575439 RELWVQGOMJQUNO-SFHVURJKSA-N 450.565 1.637 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(C(C)=O)CC1 1749584188 IZBFFVXYNKKMBD-JOCHJYFZSA-N 465.602 1.628 30 10 JDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1749630188 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C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCCS2(=O)=O)CC1 1286479402 RLQNWRYXJFTAED-QGZVFWFLSA-N 463.554 1.870 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCS(=O)(=O)CC)CC1 1286487926 RUXOLQMZYJVESU-UHFFFAOYSA-N 459.572 1.354 30 10 JDEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286533385 GTUFULPAEBIXBS-GDBMZVCRSA-N 499.387 1.617 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2c[nH]nc2C)CC1 1286663104 GPCFWUOBSHJNCX-IBGZPJMESA-N 463.608 1.678 30 10 JDEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1286709905 ICYHMOQQJULLHK-QGZVFWFLSA-N 453.503 1.138 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286740947 BYBJKYQJBFWAJY-NRFANRHFSA-N 497.625 1.746 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1286817814 ZUYQIKTZYBRVQW-HNNXBMFYSA-N 463.560 1.230 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1286818792 OGUDQZZMCSCXOV-GOSISDBHSA-N 463.604 1.906 30 10 JDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCN1CC(F)(F)F 1291223209 CGDKKFJTTHITLO-YWZLYKJASA-N 498.531 1.439 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCO1 1298285279 FBMUGOUDALJMBX-KNQAVFIVSA-N 474.587 1.688 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1300410242 MHENIWUBIBQPIT-ZWKOTPCHSA-N 496.634 1.518 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1300482591 GPOWUBOIFDDXAR-XXBNENTESA-N 491.614 1.793 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@H]1OC 1300528176 RTUMWOKNHCLKNL-GHTZIAJQSA-N 460.538 1.799 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCOC[C@@H]2C)n1 1300681446 PTMYOWAVKPIDCI-OALUTQOASA-N 452.563 1.834 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCNS(C)(=O)=O)CC1 1300684239 YMCHPCPLTMRKFP-HXUWFJFHSA-N 474.631 1.729 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCCN2CCN(CC)CC2)CC1 1300727450 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C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1301613410 XTYWCBXXBFSKNJ-DLBZAZTESA-N 491.705 1.207 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC(F)(F)CO2)c1 1358902685 WNBSDOBCKUJHSA-AEFFLSMTSA-N 493.536 1.661 30 10 JDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1358937505 YRKRYPOLXJBXSB-FHWLQOOXSA-N 453.609 1.523 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOCCN(C)C)[C@H]1CCS(=O)(=O)C1 1358958540 QMHGKUYNEIHVOT-FQEVSTJZSA-N 456.572 1.022 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1358964648 CVIDSIQDHOOWQH-AEFFLSMTSA-N 458.613 1.895 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1358978501 OIULAQOFDDHLEX-QFIPXVFZSA-N 479.606 1.927 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCOC(C)(C)C1 1358992083 ZDPPRKOPFZWXFH-UHFFFAOYSA-N 483.642 1.812 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc([C@H](C)O)cc2)CC1 1359045460 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C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1359335798 VIOQURQAMKMHQE-OALUTQOASA-N 477.562 1.844 30 10 JDEE CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1443754839 CZYBEHNVYNVVJX-IIAWOOMASA-N 452.602 1.566 30 10 JDEE C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)C(C)C 1467660638 VYCYWJTUIPZVCB-IDPGXWOASA-N 455.621 1.883 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)cc1 1475973741 NOKRTDQSSQJOGK-MRXNPFEDSA-N 456.532 1.331 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)CC1 1477320522 VOBGPVDCTQJLEG-GOSISDBHSA-N 457.556 1.516 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 1503406264 HFDLAGXTVUAGED-QFIPXVFZSA-N 484.586 1.213 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1507538221 KZLQCKIEBVKHIV-CMKODMSKSA-N 486.598 1.122 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1507629876 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C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1508153356 YERILWDGPUDDOA-HUUCEWRRSA-N 474.653 1.911 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1508160578 GYVGJOLIRWYNMV-MSOLQXFVSA-N 469.677 1.789 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1539093694 CLLHKFAJGHGWRV-KRWDZBQOSA-N 454.597 1.606 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1539203279 OVBWHLXWTXXUFO-QGZVFWFLSA-N 471.587 1.036 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1539204705 CEOXOGFDNXGJMT-PMACEKPBSA-N 483.598 1.953 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1539216167 OMZHDUIFLDCORK-GJZGRUSLSA-N 450.615 1.210 30 10 JDEE C#CCSCCn1c(N2CC[C@@H](CN3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1539531561 XDKJGPAXERDAFO-REWPJTCUSA-N 463.648 1.844 30 10 JDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCC2=O)C1)c1ccccc1 1539764955 BNHJKEHMDGTLQX-MJGOQNOKSA-N 458.588 1.803 30 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456.572 1.919 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1F 1587639096 KIUIKFYKHNYVPS-PBHICJAKSA-N 453.515 1.590 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1588068945 CLWAIKUOSXBAJY-VQTJNVASSA-N 476.647 1.148 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(=O)(=O)CC=C 1588186112 SHCWFZKYXBVMNY-UHFFFAOYSA-N 488.639 1.610 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cscn2)CC1 1588985138 ORAQVJFXJPZTKT-OAHLLOKOSA-N 469.662 1.033 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(F)(F)F)C1 1594497373 GHIXUDVDBKCHKT-GJZGRUSLSA-N 481.541 1.981 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1595561902 GPKXGVDKXHGBTJ-QGZVFWFLSA-N 485.614 1.418 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1595640160 TYGKFWKWUHYELO-LJQANCHMSA-N 488.614 1.645 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CC(=O)N(C)[C@H](C)C1 1595824076 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C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1689988057 IIIMFHTWGOMGHG-IBGZPJMESA-N 499.618 1.727 30 10 JDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1690060786 IQANRACSHUZLEN-VWLOTQADSA-N 467.618 1.975 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1c(C)nc2ccccc21 1690077614 SHOULUHVCFZMME-NRFANRHFSA-N 485.614 1.819 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)C(=O)NCC)CC1 1690136250 CGSHSOAJPUJEPC-UHFFFAOYSA-N 480.573 1.054 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1690670474 CBJNFEMJURATIV-DOTOQJQBSA-N 457.531 1.545 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1690725159 HOWQAUVFYGHBNK-FPOVZHCZSA-N 489.642 1.635 30 10 JDEE COc1ccc(-c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2CCC(=O)N(C)C)cc1 1697377064 FYCKQNFWLVLGJF-UHFFFAOYSA-N 477.573 1.672 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](OC)C(F)(F)F 1705494961 ITQOLTNZYISQKO-MJBXVCDLSA-N 453.487 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C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1740615721 JVXAITCWZSNVDK-UXHICEINSA-N 471.583 1.953 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](CC)N1CCc2ccccc2C1 1740632328 ZUCBZJCHXZGBJE-UGKGYDQZSA-N 468.627 1.798 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1740645714 KRRBXNSIRAHVEM-QRVBRYPASA-N 464.636 1.239 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1Br 1740680279 XAKCGIMMLRXFKY-CQSZACIVSA-N 470.393 1.785 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1740704662 QUALEFWUYIAQQQ-UHFFFAOYSA-N 459.554 1.989 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC2CCS(=O)(=O)CC2)CC1 1740706697 ZQIXRLPYMBKULK-IBGZPJMESA-N 463.604 1.310 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC2(O)CCOCC2)CC1 1740707447 CEJCJEPGGIZVLM-UHFFFAOYSA-N 471.533 1.504 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ncc(CC)s1 1740732081 QVKJBLZXDCRADZ-LAUBAEHRSA-N 478.644 1.865 30 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C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(O)CCO[C@@H]2C)CC1 1749016760 NFEILSKDCJERTC-IQGLISFBSA-N 467.570 1.383 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1749210703 MVGFPGGLDQLEHG-OAHLLOKOSA-N 458.485 1.612 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1749609302 MRQIOEICVSMFRO-GCJKJVERSA-N 486.642 1.914 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1749661023 XCYBXGPWBNYANP-QGZVFWFLSA-N 470.530 1.733 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(CC(N)=O)CC1 1749669222 IKLQAQUWDZNKNR-UHFFFAOYSA-N 489.621 1.787 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1749740134 QPTBYEVUOCXMKZ-LJQANCHMSA-N 477.587 1.026 30 10 JDEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1750206471 FYDXYIZTXUBEPG-UHFFFAOYSA-N 472.571 1.365 30 10 JDEE Cc1cccc2c(CCn3c([C@@H](C)NS(C)(=O)=O)nnc3N3CCO[C@@H](C#N)C3)c[nH]c12 1751654566 AFTLORAJSZYRDY-WBVHZDCISA-N 457.560 1.650 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCOc1ncccc1Cl)[C@H]1CCS(=O)(=O)C1 1760184438 XGGGVCQSVDRQLF-HNNXBMFYSA-N 480.978 1.170 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCN1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1760189789 WUDYDUFOGFNQED-PMACEKPBSA-N 463.648 1.921 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1760192359 TYMUNMXFNBNTRO-CVDCTZTESA-N 460.600 1.933 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccc(F)cc1 1760219976 URNFUFRKKMAIPC-OAQYLSRUSA-N 489.573 1.682 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2nnc(C)s2)CC1 1760271306 TXTFYOSEXCLGNX-UHFFFAOYSA-N 467.603 1.508 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC(N2CCNC2=O)CC1 1760315671 HQIXOGWIDOHXLL-HBFSDRIKSA-N 462.595 1.977 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCN2CCC[C@H]2CO)CC1 1760402718 SAPNINUMCSOMSM-LEWJYISDSA-N 496.678 1.250 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1760431923 CMSFSHZNFFYYIB-HSALFYBXSA-N 495.694 1.481 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](CO)O1 1760486860 BSIVWXDMWGNHGG-YQVWRLOYSA-N 497.643 1.405 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCN(c3ccncc3)CC2)C1 1760535241 NORTUEHQTAVJLS-RXVVDRJESA-N 489.646 1.981 30 10 JDEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1763751795 DRTLTBFMPHKYEZ-DEOSSOPVSA-N 469.590 1.490 30 10 JDEE CCCNC(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1 1766219527 BPESMNRMTIWWGX-NRFANRHFSA-N 477.566 1.554 30 10 JDEE CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1766510158 HGGGSYLVZWOMSV-GOSISDBHSA-N 469.571 1.832 30 10 JDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1769112171 GXTIUSWCIWLBLF-LPHOPBHVSA-N 456.547 1.741 30 10 JDEE COc1ccccc1Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC(=O)N(C)C 1770456328 CJYNLBDLYSUZLQ-SFHVURJKSA-N 489.584 1.733 30 10 JDEE C=CCOC(=O)C1=S=C(NC(=O)C(=O)Nc2ccc(C(C)=O)cc2)C(C(=O)OCC)=C1C 1860748978 RDCYTCGNRKFSJL-UHFFFAOYSA-N 458.492 1.602 30 10 JDEE N#Cc1nnn(-c2ccc3c[nH]nc3c2)c1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870155292 FVSHAVAZSCGLSS-UHFFFAOYSA-N 457.366 1.158 30 10 JDEE C=CCn1c(C(=O)NCCCN2CCOCC2)cc2c(N(CCOC)CCOC)ncnc21 1873594578 XNKSTOCVIUMPTN-UHFFFAOYSA-N 460.579 1.169 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4ccncc4)n(C)n3)CC2)CC1 1889484384 VEJTWSDVXMZGHN-UHFFFAOYSA-N 450.587 1.744 30 10 JDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)COc3ccc4c(c3)OCO4)CC2)CC1 1891070116 ZWVGSAYELOAZIP-UHFFFAOYSA-N 457.571 1.831 30 10 JDEE O=C(NCC#CCCO)c1cc(I)cc(I)c1O 2218706701 GGQMTPDCFNREMG-UHFFFAOYSA-N 471.032 1.717 30 10 JDEE CO[C@H]1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255641469 ZZZRELFVXGWKQF-KGLIPLIRSA-N 453.370 1.806 30 10 JDEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C 2256614413 MPTRDXDGMXLETP-TZMCWYRMSA-N 455.386 1.847 30 10 JDEE C[C@@H]1C[C@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN1Cc1ccccc1 2267355117 SRPUVWQSWGCXLM-WBVHZDCISA-N 461.397 1.056 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1[C@H]2CN(Cc3ccccc3)C[C@H]12 2267372853 VCENGKVLMMOESG-IRXDYDNUSA-N 458.393 1.128 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3C[C@@H]4[C@H](C3)[C@@H]4B3OC(C)(C)C(C)(C)O3)O[C@H]2C1 2279912627 IIDCBXVDWYKGGR-MULDDASSSA-N 464.368 1.940 30 10 JDEE Cc1nn(C)c(C(=O)N[C@H]2COCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281986715 VBZIKPPCYVVCBQ-OAHLLOKOSA-N 464.372 1.393 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCC1CC(NC(=O)OC(C)(C)C)C1 2282338389 MZRISUVYZAUIOV-UHFFFAOYSA-N 484.428 1.691 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(CO)CCN(C(=O)OC(C)(C)C)CC2)n1 2282535038 ZFLOFOVOXRHXLH-UHFFFAOYSA-N 464.372 1.211 30 10 JDEE Cc1c(C(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554895 KUIKYLRKCXUPGJ-WCQYABFASA-N 458.290 1.557 30 10 JDEE Cn1ncc(C(=O)N[C@@H]2CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c1B1OC(C)(C)C(C)(C)O1 2282562125 XITSTJKHVVMUFU-XHSDSOJGSA-N 462.356 1.083 30 10 JDEE Cn1ncc(C(=O)NC2(CN)CCN(Cc3ccccc3)CC2)c1B1OC(C)(C)C(C)(C)O1 2282564142 PWXHRDKXBHXUOH-UHFFFAOYSA-N 453.396 1.443 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2282853759 INBZZTAWASYPQW-HUUCEWRRSA-N 484.428 1.691 30 10 JDEE CC(C)(C)OC(=O)NCC(CO)(CO)NC(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 2283111024 CRQKDAAURXYFTL-UHFFFAOYSA-N 484.786 1.617 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C1 2285199972 NWOIPVQQQYJPPZ-IRXDYDNUSA-N 461.368 1.789 30 10 JDEE COc1ccc(OC)c(C=CC(=O)[C@H]2C[C@@H](NC(=O)CNC(=O)c3ccccc3)CCN2)c1 2328106992 KOOWMKYQQCQNEY-PZJWPPBQSA-N 451.523 1.953 30 10 JDEE O=C(O)CC[C@H](NC(=O)COc1ccc2c(c1)O/C(=C/c1ccc3c(c1)OCO3)C2=O)C(=O)O 33490900 SNOWTYHGRHZBRW-UZSVJVCZSA-N 469.402 1.845 30 10 JDEE C=CCOC[C@H](O)CN(CCN1CCOCC1)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 36156047 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CYLPFSXEFJKWCD-QHCPKHFHSA-N 455.584 1.568 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1286273480 IWCXVXPKWZKQEH-HOTGVXAUSA-N 466.608 1.913 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@](C)(O)c1ccccc1 1286297298 VOOSYHFIAZVRPS-LQBOVUBWSA-N 461.588 1.367 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(-n2ccnc2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1286380247 GMYUFMITZRZRIA-GOSISDBHSA-N 499.572 1.416 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286385715 ZIJHKMYCDKUSFD-LJQANCHMSA-N 475.615 1.929 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(OC)CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1286389623 NOWFJFVBDMMWEQ-WUZYXKQASA-N 458.588 1.957 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccc(F)cc1C)[C@H]1CCS(=O)(=O)C1 1286392875 CVKGALBYMPCVNL-FQEVSTJZSA-N 473.574 1.717 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCOCCOC)CC1 1286479103 FNOXBTCQXVMRPW-HXUWFJFHSA-N 492.621 1.395 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(=O)N(C)CC)CC1 1286489247 LDMXVSVPWGHEDH-UHFFFAOYSA-N 468.558 1.406 30 10 JDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286507298 GUGMDZLVJBNRGV-LJQANCHMSA-N 453.572 1.397 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCC)C1 1286554124 GPMZGXVHPYGIHB-ZRNYENFQSA-N 483.635 1.598 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1286620199 HHBTUNDQZMAGPR-AWEZNQCLSA-N 467.983 1.066 30 10 JDEE C=CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1286679444 PNWKDZFJRDAGKS-RBUKOAKNSA-N 458.588 1.671 30 10 JDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286695604 DBXIZLYQMCACSF-INIZCTEOSA-N 457.564 1.357 30 10 JDEE C=CCCCn1c(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1286704868 HUSCPHCKKWOWEI-UGKGYDQZSA-N 483.635 1.527 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1286793013 OWRCPRLNYUZZOL-UHFFFAOYSA-N 485.589 1.798 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1286794869 BEFXIBHPUDRNTL-BMGDILEWSA-N 477.543 1.616 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1286818113 BWNVYNRMAVKMHZ-UHFFFAOYSA-N 473.603 1.565 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)CC1 1286823448 NNKMKSDCFUAOOA-UHFFFAOYSA-N 467.979 1.780 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1ncccc1N(C)C 1288780798 IDOADMLQXQSZAN-INIZCTEOSA-N 468.587 1.906 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1300504789 SGDTWGSPYZUPRU-OAQYLSRUSA-N 495.609 1.108 30 10 JDEE COc1ccccc1OCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC(=O)N(C)C 1300651784 HKSNASCLUZDJDV-UHFFFAOYSA-N 490.568 1.937 30 10 JDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCc1cccc(C(N)=O)c1 1300663427 BGUYFQXFOUWRQC-UHFFFAOYSA-N 450.499 1.433 30 10 JDEE CO[C@@H]1COCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1300852268 DEBDBMVLDUKGIX-DYESRHJHSA-N 485.564 1.805 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1301490551 VIFZXXSPTYEOJG-UHFFFAOYSA-N 474.009 1.891 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1301491922 REQKOKRKTOOFRT-HXUWFJFHSA-N 490.612 1.642 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1301492369 HAUMBSRHMPXAEJ-QHCPKHFHSA-N 457.531 1.650 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1301501612 ZLCRPZOORDYRFV-HXUWFJFHSA-N 495.632 1.639 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1301531499 NYHMTECKTNCIJX-RTBURBONSA-N 494.639 1.807 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1301612008 UKXUJOMCYWBDPU-MOPGFXCFSA-N 495.675 1.877 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2nnc3n2CCCCC3)c1 1358900961 WPEPPFRATRERFR-UHFFFAOYSA-N 489.584 1.839 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCCOC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1358960702 JVYPUKLGYBKHQS-MOPGFXCFSA-N 461.588 1.354 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358966513 QUHXMZZKVKNIGG-RTBURBONSA-N 476.647 1.148 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1359023495 MHTBDWHKSFXEJR-CADBVGFASA-N 488.589 1.340 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCC(=O)N2CCOCC2)CC1 1359043255 NNAAILWIXCFYFJ-UHFFFAOYSA-N 484.988 1.813 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCc2nnc(C)s2)CC1 1359046375 PEQOUIFQZDRNAI-UHFFFAOYSA-N 450.572 1.632 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(CC)n1 1359070497 NUZOGSAXPDVSRF-LAUBAEHRSA-N 478.644 1.865 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1359121745 GWQOBXXFIDDJPU-JKSUJKDBSA-N 470.596 1.291 30 10 JDEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 1359252914 LLVJIRSGPOBLNT-MRXNPFEDSA-N 464.617 1.848 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1F 1359282286 WKVFPOAKFKNMJE-GOSISDBHSA-N 471.530 1.576 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1359303641 WCXSISZOTNVOOV-VQTJNVASSA-N 452.559 1.622 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1359336376 NRDBEXAWMZAMRC-XWSJACJDSA-N 454.593 1.608 30 10 JDEE Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)N(C)C 1360910413 FTDFZWJIBHDZKE-QGZVFWFLSA-N 487.611 1.997 30 10 JDEE CCC(O)(CC)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1497440288 HWXIROXKHBXBQS-HOTGVXAUSA-N 453.551 1.157 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(c3ccccc3)CCOCC2)CC1 1507721760 MBOFLRWDGJUYGC-HXUWFJFHSA-N 486.642 1.392 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1507734372 WPNDFIDMMJPWEZ-QGZVFWFLSA-N 489.621 1.638 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@H]1C 1508097411 IHFFHHDFRBBFDB-CVEARBPZSA-N 461.567 1.319 30 10 JDEE C[C@H]1CCCN(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)C1 1512218687 BKPBDIUBFKSCJU-HKUYNNGSSA-N 465.624 1.083 30 10 JDEE C#CCN(C(=O)[C@H](Cc1cccc(OC)c1)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1528600283 ZQDNXSVJYCGPEN-HKUYNNGSSA-N 450.557 1.780 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCCn2cccn2)c1 1539037928 JAIDRXQXDMDKGG-UHFFFAOYSA-N 460.542 1.857 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2)C1 1539124077 BUUNCURCNKVKHL-WOJBJXKFSA-N 459.572 1.602 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539206966 YFIZSQRDDKFGPE-ZJSXRUAMSA-N 493.674 1.820 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCOCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1539218930 ALOFSPWYCLVSQA-QUCCMNQESA-N 487.582 1.081 30 10 JDEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1539219763 MODSJYLWOQBMDP-FXAWDEMLSA-N 460.556 1.844 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1CCC(F)(F)CC1)[C@@H]1CCS(=O)(=O)C1 1539229477 DVHZWCALBGXALC-QGZVFWFLSA-N 469.558 1.853 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCOC[C@H]2OC)CC1 1539490001 QLUGFZYPSGCVRN-NFBKMPQASA-N 497.596 1.883 30 10 JDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1539699762 FDFGBODOSDMLAE-KRWDZBQOSA-N 486.598 1.798 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(=O)NC)CC1 1540864260 UGSRXHVBVBHJSQ-UHFFFAOYSA-N 450.341 1.300 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1540902484 KSTKUUKECVJKFX-QGZVFWFLSA-N 466.608 1.109 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1540905178 UJGNXGIFYQDEOE-FQEVSTJZSA-N 493.703 1.451 30 10 JDEE Cc1n[nH]cc1CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1542054828 IDMHTQFXNRECNQ-PBHICJAKSA-N 450.569 1.014 30 10 JDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1C 1544456923 CBEZLNOFIPGPSR-JLHGSKIFSA-N 459.572 1.761 30 10 JDEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1)N1CCCC1 1546012096 BLVSLNVZGZQFTA-TZIWHRDSSA-N 467.574 1.554 30 10 JDEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CC1 1548321636 BXQGESXCYWOQDG-HSZRJFAPSA-N 488.614 1.873 30 10 JDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCCCC2)cc1 1554978891 FZCAQAZJTCWACF-FQEVSTJZSA-N 454.531 1.997 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(N2CCOCC2)nc1 1587931726 BKSVQSBZGKIFHO-UHFFFAOYSA-N 495.609 1.545 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1588064097 ADMHSURPGYBNSP-NRFANRHFSA-N 482.610 1.904 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cc(C(C)(C)C)no1)[C@H]1CCS(=O)(=O)C1 1588073686 BIADWVDCYTXSLF-ZWOKBUDYSA-N 491.614 1.963 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCCS(C)(=O)=O 1588580997 BXHJQLNJSGHOTF-UHFFFAOYSA-N 458.382 1.567 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)c2cccc(OC)c2)CC1 1588733494 VJXHWBAPYNYQAB-UHFFFAOYSA-N 488.552 1.119 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(SC)CCN(C)CC2)CC1 1588752213 QNIVWRQNTVHHPI-LJQANCHMSA-N 450.653 1.585 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1588769090 OEYCTHBOTMUUDV-IBGZPJMESA-N 458.544 1.576 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2CCOCC2)CC1 1588890504 AKONKMRPGBJEOG-XMMPIXPASA-N 459.591 1.711 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1OC 1595290191 BQWZQRRSRXKPMM-XLIONFOSSA-N 468.558 1.882 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(=O)NCC)CC1 1595517021 MUTSHWVONJYSOY-UHFFFAOYSA-N 462.558 1.054 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1595523556 YKSRJFJEORUHNA-UHFFFAOYSA-N 461.526 1.613 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(O)CCC2)C1 1595689811 XHJXLJLNTHFGIF-SFHVURJKSA-N 461.588 1.892 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCCN(C(C)=O)CC1 1595766529 RKCSUBHGVXPCTM-UHFFFAOYSA-N 499.435 1.706 30 10 JDEE CC(=O)N[C@H]1[C@H](OS(C)(=O)=O)[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1OCc1ccccc1 1615948842 LPVHBCBYCLTQLX-LLFXUEIYSA-N 477.535 1.892 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccc(Cl)c(F)c2)c2nn[nH]n2)c1 1638159793 NWECPOLPJPHGJL-MRXNPFEDSA-N 450.883 1.976 30 10 JDEE C=CCN1CCC(NC(=O)NCCNS(=O)(=O)c2cc(C)ccc2Br)CC1 1668510199 NAUHVQWLDAEGKG-UHFFFAOYSA-N 459.410 1.985 30 10 JDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@H](O)COc3ccc4c(c3)OCO4)C2=O)cc1 1686081909 DQAASNGRLRVVAZ-PKOBYXMFSA-N 452.467 1.521 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1689913353 MOEPIZWQVVZFGW-AVYPCKFXSA-N 452.581 1.405 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1ccnc1C 1690019437 IQAVEIGBYCTMFX-LJQANCHMSA-N 453.547 1.864 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2cc(OC)ccc2n1C 1690020030 XISTUJLTBSFILZ-MRXNPFEDSA-N 452.540 1.197 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(O)CCN(C(C)C)CC1 1690098586 NZOOTQLMZJQTBX-UHFFFAOYSA-N 455.559 1.995 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCS(C)(=O)=O)CC1 1690111893 LPGAZAJSGIJBLB-INIZCTEOSA-N 451.980 1.871 30 10 JDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1690128565 GJJXMSWCRWNAPW-UHFFFAOYSA-N 485.639 1.279 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OCCOC)cc2)CC1 1690131222 VQARGSVSPFXQDB-UHFFFAOYSA-N 452.559 1.229 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCOC[C@H]2CCOC2)CC1 1690146179 HNMRBTZUHOSZIG-TZIWHRDSSA-N 459.591 1.581 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1690288312 RLLJVTOMGHKQLE-DLBZAZTESA-N 484.623 1.681 30 10 JDEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690535494 APHDJPZSFGILDN-ZACQAIPSSA-N 468.624 1.953 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1690660167 AGJMBOIZGFMUDD-KRWDZBQOSA-N 468.537 1.920 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1690723889 COUXAQWCYVTTRI-QGZVFWFLSA-N 476.559 1.618 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](C(N)=O)C1 1690726678 IQCHJIDKRDPYQM-GOSISDBHSA-N 456.572 1.584 30 10 JDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1 1692346396 CZYUTIJNQGKXTB-RTBURBONSA-N 468.624 1.946 30 10 JDEE C[C@H](CC#N)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1COCCO1 1692661033 FIDIKMDBGIPGJT-IRLDBZIGSA-N 453.591 1.797 30 10 JDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC(F)(F)F)cc1C 1693146118 HIJMOXXJBVQNSN-INIZCTEOSA-N 452.437 1.881 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC2(CCOCC2)C1 1705495745 UTCOXIHJZIYFED-WMZOPIPTSA-N 451.593 1.276 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1705560576 IDTPVORSQFTDAJ-OFNKIYASSA-N 490.630 1.461 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705570577 OTWCUYJGSPWNFY-OAQYLSRUSA-N 471.627 1.990 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CC(=O)N(CCOC)C1 1705600220 QECYRPQIFXDJIM-HXUWFJFHSA-N 459.554 1.474 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(Cl)cc2F)CC1 1705639586 RPRHGQKXVIUJLR-LJQANCHMSA-N 496.996 1.207 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2cnn(C)c2)CC1 1705651213 NTHZQHFLHFJBSH-UHFFFAOYSA-N 463.542 1.613 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@@H]1C 1705737657 XHRHQLRFSRVSIW-IRXDYDNUSA-N 457.597 1.207 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCCc2ccccc2)CC1 1705769432 SASDNHRWFKHDRA-HXUWFJFHSA-N 488.614 1.126 30 10 JDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1705810490 ZUNQCEOIFJNTJO-SFHVURJKSA-N 466.608 1.111 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C 1705867977 YWPMFBPJOIBWES-FCHUYYIVSA-N 477.613 1.791 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1705898213 FIWJIYWTYWNCBG-UHFFFAOYSA-N 473.965 1.371 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705898384 JWXXBXVZNQOLAX-UHFFFAOYSA-N 478.557 1.690 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1705899011 FRNBXMVDSYZNPV-QGZVFWFLSA-N 468.525 1.496 30 10 JDEE C=CCNC(=O)Cn1c(N(C)C[C@H]2COc3ccccc3O2)nnc1[C@]1(OC(C)C)CCOC1 1705908717 UPHMOHDVWKLYMM-UUOWRZLLSA-N 471.558 1.897 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1705932486 UWBXYUSAOIGZGL-UHFFFAOYSA-N 470.555 1.542 30 10 JDEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1706043834 AFENAMRKOSCIKV-UHFFFAOYSA-N 459.576 1.061 30 10 JDEE C#CCN(c1nnc(C2CC2)n1CCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1722368796 SVYQYHHVXGLPPI-HNNXBMFYSA-N 453.366 1.441 30 10 JDEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1CC1CCS(=O)(=O)CC1 1722427317 NHEVUXCHFOWKEJ-UHFFFAOYSA-N 450.536 1.907 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1722429259 JIBXJJJWSDBKSN-LEWJYISDSA-N 452.559 1.442 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(F)c1 1722460661 HVLULXUQBOPOIP-SFHVURJKSA-N 467.592 1.753 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1722688340 BZJZUBMCLKWCIN-INIZCTEOSA-N 480.566 1.331 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1cnn(C)c1C 1722693175 FSWBJXNWBFPPQY-UHFFFAOYSA-N 486.602 1.176 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1722694284 QPBCLYHORZKFEE-UHFFFAOYSA-N 452.519 1.664 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(=O)NC)CC1 1722703138 WENISYUHFIHNEI-UHFFFAOYSA-N 451.531 1.383 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCS(=O)(=O)N2CCSCC2)C1 1722723283 XKDYFFCIKZOFQU-LJQANCHMSA-N 478.644 1.424 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1722727442 OMXXFTNLMXJMIY-AEFFLSMTSA-N 451.593 1.616 30 10 JDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740587810 XMAUDNJLNQGURX-INIZCTEOSA-N 459.576 1.929 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1740617964 ZOKFZOBIPQLSSY-QTEQDKRBSA-N 479.647 1.287 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1740622105 ULANSDZKXWWIAK-RBUKOAKNSA-N 457.604 1.482 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740624277 FBGKRNXIARLGOM-TZIWHRDSSA-N 487.626 1.225 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCN(C)C(C)(C)C1 1740630146 GASBRIHVMVKAKM-UHFFFAOYSA-N 497.669 1.294 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)N1CCOCC1 1740656843 NKXGXENTTVXFJT-OAQYLSRUSA-N 462.602 1.636 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@@](C)=O)cc1 1740686386 RWCDKMFVEMNGBL-WWOZWPLTSA-N 464.613 1.193 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](OCC)c2ccccc2)CC1 1740691049 TUCULNAWTPKBFL-AZUAARDMSA-N 460.604 1.421 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCN2CC)CC1 1740706071 QYDLAWCOGWVLHZ-UXHICEINSA-N 476.647 1.020 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1740710383 YNDQGXSAPCSTHR-HOTGVXAUSA-N 486.664 1.700 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CCCO)CC1 1740760320 HZTWFGSKIZWCOA-ACRUOGEOSA-N 497.662 1.581 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740763593 NIDUIGOKEPXNDZ-WFXMLNOXSA-N 480.635 1.147 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1740954784 GQESFGGKHOJYJZ-HXUWFJFHSA-N 477.363 1.720 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1740957606 UGXXTXNNENOTHR-UHFFFAOYSA-N 487.561 1.236 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1740959298 QXCSEABLLGISOE-KRWDZBQOSA-N 492.584 1.187 30 10 JDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1741702776 IDOPLXXXGSSRQT-HZPDHXFCSA-N 462.576 1.511 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C1CCCCC1)N(C)C 1741943731 HWGIRNGEURZSLH-CGTJXYLNSA-N 453.613 1.128 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2[C@@H]2C[C@H]2C)c1 1748692015 BESCKVRGBFCCHT-LZQZEXGQSA-N 472.571 1.248 30 10 JDEE COc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)cc1O 1748812775 FNRWWTUIHQZEFV-IBGZPJMESA-N 476.559 1.113 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1748817035 COTFRJABFODZOR-WOJBJXKFSA-N 492.623 1.002 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1748892270 MQAVPDMGDWGKCR-QZTJIDSGSA-N 463.604 1.946 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC2(CCCCC2)O1 1748964935 NLMPXWWZNBUFIF-UXHICEINSA-N 495.646 1.579 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1748979664 IJUHHGMCTMMACX-LJQANCHMSA-N 482.585 1.212 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(CN(C)C)c2)CC1 1749009443 JAZUENBHBAYDPP-NRFANRHFSA-N 463.586 1.305 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCO[C@H](C)C1 1749067110 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C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCCNS(=O)(=O)CC)CC1 1760254620 CSIMNSWOUJREBA-UHFFFAOYSA-N 495.447 1.792 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCc2cnn(C)c2)CC1 1760255722 OIUVDDUWEVYVDX-UHFFFAOYSA-N 496.641 1.317 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(O)cc2)CC1 1760273411 SPRQOKHIMULBCD-FPOVZHCZSA-N 453.543 1.722 30 10 JDEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1760347703 QGDUAHGADXGBEX-UHFFFAOYSA-N 476.632 1.992 30 10 JDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1760509406 CIQGKSKMADHMGY-UHFFFAOYSA-N 478.601 1.759 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@H](C(N)=O)C1 1760515114 LBCXYWSUYPUSHY-INIZCTEOSA-N 451.556 1.991 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCc1cnccn1 1760517711 VZPAHHZYNAYGQJ-UHFFFAOYSA-N 455.544 1.120 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)cc1 1760529781 GNLKGBMWGKUDDN-UYAOXDASSA-N 492.536 1.899 30 10 JDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760560745 DKHYCURLZYTGHF-QGZVFWFLSA-N 491.643 1.328 30 10 JDEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760561037 NYXKXIVZHNJYHX-UHFFFAOYSA-N 459.576 1.983 30 10 JDEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1763762740 FMMIOIHGEKNBHN-KRWDZBQOSA-N 487.630 1.887 30 10 JDEE COc1cccc(Cn2nnc(C#N)c2NC(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)c1 1870108944 DQKZTXJOPVREDQ-INIZCTEOSA-N 460.450 1.896 30 10 JDEE C=CCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN1CCN(CCO)CC1 1870397888 XTXHDAJLRBJDQN-UHFFFAOYSA-N 471.514 1.070 30 10 JDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cc(OC)c(OC)cc1OC 1874430198 XSPNVRBHKXGUPJ-FOKLQQMPSA-N 478.575 1.783 30 10 JDEE COc1ccc(Cn2cc(C(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)nn2)cc1 1890501174 WEHBPKVFCGEBPU-UHFFFAOYSA-N 466.586 1.207 30 10 JDEE CC(C)N1C(=O)CS[C@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@@H]1c1ccc(C#N)cc1 1890834177 ZIHWZQMIQSBABV-VXKWHMMOSA-N 486.619 1.958 30 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PLGSKFGPSMXFCR-UHFFFAOYSA-N 478.645 1.640 30 10 JDEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539497076 JNQZVHQGMLCCOA-ZWKOTPCHSA-N 498.609 1.330 30 10 JDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1539900060 GIPIQSYWFYNHSQ-UHFFFAOYSA-N 466.590 1.937 30 10 JDEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1540856961 LHHSQTNWGJRMSP-INIZCTEOSA-N 471.587 1.769 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1540869090 BEUKHZXFXBZSCX-OAHLLOKOSA-N 487.561 1.754 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CCCOC1 1540869345 JZAZOFNZZYOXKH-KRWDZBQOSA-N 465.558 1.840 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1540872875 DEZOTLHLOIGPES-HXUWFJFHSA-N 480.617 1.089 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1540897516 KZRLXRRFFUFDJR-HKBQPEDESA-N 479.628 1.489 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(CC(F)(F)F)CC1 1541105227 GMELCBOHBGWDPZ-ZIAGYGMSSA-N 465.546 1.758 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCn1cc(Br)cn1 1545928421 ABHFPAPVMYYMKZ-HNNXBMFYSA-N 465.356 1.584 30 10 JDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CCCO)CC1 1554558358 AVESNAYORGSTMS-HXUWFJFHSA-N 453.547 1.552 30 10 JDEE C=CCN1CC[C@H](N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)C1=O 1568184572 XMVNGQXTFXYTLT-RDJZCZTQSA-N 455.964 1.656 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1587561416 DXJYVZLNRWZXMN-ULQDDVLXSA-N 461.592 1.015 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(C)(C)C)cs1 1587989779 OZMDXYPLBZLGCI-AWEZNQCLSA-N 452.606 1.483 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1588128505 MREJJKLRECFGRS-SFHVURJKSA-N 478.578 1.715 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC(C)C 1588134292 WDSOAQBNMVGEEO-IBGZPJMESA-N 492.646 1.793 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2CCOCC2)CC1 1588890503 AKONKMRPGBJEOG-DEOSSOPVSA-N 459.591 1.711 30 10 JDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1588975045 DIELYBOVTBJILH-KRWDZBQOSA-N 481.630 1.940 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1594679943 KROIXCWZRGKHEH-OAHLLOKOSA-N 465.580 1.550 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1595523037 NSXSLTYKBYGDQV-UHFFFAOYSA-N 483.592 1.957 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1595555958 LFUZELBCLYYZTC-UHFFFAOYSA-N 464.567 1.170 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1595812162 OOHQMGLWHLAQNL-WOJBJXKFSA-N 492.690 1.458 30 10 JDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1618660355 AICCONJACDVYIW-UHFFFAOYSA-N 464.618 1.805 30 10 JDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1619877306 BLAOHUUVYPXRFB-OAQYLSRUSA-N 453.591 1.553 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccs1 1619912475 DSQZUOWOBRILRQ-DNVCBOLYSA-N 453.590 1.516 30 10 JDEE C=CCn1c(O)nnc1S[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1643787538 SQGKAMMDBGZITQ-OAHLLOKOSA-N 451.574 1.492 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H](N2CCOCC2)C(F)(F)F)cc1 1667955786 DTERNUIUGCSLQJ-INIZCTEOSA-N 450.483 1.878 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2COC)c1 1672097888 KHYXDXPGYZKKTH-KRWDZBQOSA-N 453.561 1.859 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOc2ccccc21 1689853116 PJNIJTYJMFRBEA-QKLQHJQFSA-N 459.572 1.635 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCNS(=O)(=O)CC 1689866872 MGQHLGTUJBMUCR-YESZJQIVSA-N 468.624 1.836 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2ncn(C)n2)c1 1689868254 AVIUJKJYPQRMSF-UHFFFAOYSA-N 470.497 1.158 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCC(F)(F)CC1)[C@H]1CCS(=O)(=O)C1 1689980315 PNCOLCWJBIPECI-ZBFHGGJFSA-N 493.602 1.341 30 10 JDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCO[C@H]1C 1690082961 VGOAVPRFMROTOK-SQJMNOBHSA-N 452.603 1.642 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCS(=O)(=O)NC(C)C)CC1 1690134941 LWSVEKPNTSVROJ-RTBURBONSA-N 466.652 1.280 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCc2cn[nH]c2)CC1 1690137572 CWXLJJQXJARSEK-UHFFFAOYSA-N 485.390 1.978 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1690154246 LMCBPACUVWVXOD-UHFFFAOYSA-N 487.605 1.683 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1690170223 CDYMWZNYNLKXRX-MRXNPFEDSA-N 458.613 1.928 30 10 JDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1690288013 CVWLXXXXQYMHQT-GOSISDBHSA-N 479.628 1.576 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1690302624 HNFQXBKDZRQISI-QUCCMNQESA-N 488.614 1.503 30 10 JDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1690489978 KNNOHAALLILXKQ-JOCHJYFZSA-N 451.575 1.715 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1690678020 ILOXNUBUSZJEFV-UWJYYQICSA-N 485.545 1.539 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCc3sccc3C2)C1 1690686293 LRDPEEFEPWGTLH-SJLPKXTDSA-N 480.660 1.789 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCOC(C)(C)C2)C1 1690700388 RRIMEHKKIJQFEE-MSOLQXFVSA-N 453.609 1.072 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(=O)N(C)C)c2)C1 1690709452 HOLDIXGXTCTPEC-FQEVSTJZSA-N 452.559 1.932 30 10 JDEE CC(C)CN1C[C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)NC(C)C)CCN2C1=O 1692416848 AHPLTALDGLLBEE-HXUWFJFHSA-N 494.600 1.836 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccc2)n1CCCS(C)(=O)=O 1693745043 CJJPZOCVVCWHFU-QGZVFWFLSA-N 466.571 1.757 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](OC)C(F)(F)F 1705494958 ITQOLTNZYISQKO-BFHYXJOUSA-N 453.487 1.036 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1705559579 CZHVGLQEUQHTIG-DLBZAZTESA-N 460.560 1.223 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705560141 DOIFJGVRQCVXDQ-QDSKXPNFSA-N 494.658 1.888 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705568511 OVBAGBSNINGIJX-DLBZAZTESA-N 465.645 1.559 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CC(C)(C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705569286 AYEBANDRUGGFMR-HXUWFJFHSA-N 472.615 1.001 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@H]2OCCC2(C)C)n1 1705631712 OAGXLCKNQBMAOC-HXUWFJFHSA-N 452.563 1.976 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)c2ccccc2)CC1 1705647269 BVUNBDWQDGHGDE-FQEVSTJZSA-N 484.626 1.282 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1705875882 IYTGBNPPOYAZOF-HSALFYBXSA-N 496.678 1.677 30 10 JDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@]2(CN(Cc3ccccc3)CCO2)C1 1705887319 YPSLMFLBHMGGQW-CVDCTZTESA-N 474.631 1.946 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1705891017 VEEJQVXFTBQWGC-AWEZNQCLSA-N 479.588 1.534 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1705896611 SDBPAROIMPYTRQ-LJQANCHMSA-N 454.575 1.805 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](CNS(C)(=O)=O)C2)nnc1C1(c2ccccc2)CCC1 1705909381 VNLNVSPJKDSAFN-IBGZPJMESA-N 486.642 1.816 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705938398 XIEYTQQUDQYAEB-MRXNPFEDSA-N 486.591 1.610 30 10 JDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN1CCC[C@H](C)C1 1710729546 DHYALUQFNKVHDU-SFHVURJKSA-N 455.611 1.787 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1722333050 RGFFUPMGADQHSC-ZWKOTPCHSA-N 453.609 1.808 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CC1CCN(CCN(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1722359088 PSKLWAVDCOHCOC-FQEVSTJZSA-N 450.653 1.302 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCCn2cc(CO)nn2)CC1 1722444882 HNLILBYSQNVMRQ-UHFFFAOYSA-N 482.976 1.738 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N(C)C 1722656907 LJZOJXLVEREKAJ-IBGZPJMESA-N 456.572 1.723 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1722724302 SRIIJMJRPZPWCN-WFASDCNBSA-N 483.392 1.351 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1722726559 GMCXGMNIVJVQSG-SFHVURJKSA-N 492.577 1.304 30 10 JDEE CC(C)(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722878382 ABRAXDLKFLMELL-IBGZPJMESA-N 488.614 1.904 30 10 JDEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CCOC)C(=O)C2)CC1 1728628849 HELWEFWLIXBRRP-OAQYLSRUSA-N 494.644 1.385 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C(=O)OC(C)(C)C 1730763112 CMUTVQJLHMSORQ-INIZCTEOSA-N 470.596 1.414 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 1740623229 QFEFLKOGLVYYPQ-PMACEKPBSA-N 455.584 1.715 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1C 1740657639 UWEUWJNGPDJHGL-IRLDBZIGSA-N 485.610 1.850 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(C(N)=O)CCCC1 1740657778 YABSQXFUXUXCFD-UHFFFAOYSA-N 460.586 1.961 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)N2CCOCC2)CC1 1740701699 OUVJKQICUOQPLC-UHFFFAOYSA-N 485.976 1.208 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1740717299 OLFGATKTJXWDFD-APWZRJJASA-N 452.606 1.107 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1740752099 SMYOLVYXTGDLRE-WTGUMLROSA-N 496.678 1.858 30 10 JDEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1740871054 OSWPQHQRZVNYEO-UHFFFAOYSA-N 481.648 1.594 30 10 JDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(OCC(N)=O)CC1 1740874449 BVROVBKBAUWMKL-UHFFFAOYSA-N 451.531 1.629 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1740959818 FNVXFVXKHMDPND-KGLIPLIRSA-N 453.515 1.958 30 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NAQHHJTUIIITPR-QGZVFWFLSA-N 479.653 1.571 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1749158747 LNXWESOZNWPQJI-RBUKOAKNSA-N 466.652 1.525 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749402592 PMMVMULKRMPQMD-TYPHKJRUSA-N 478.663 1.525 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1760155347 WAXUWLAEZVMXIG-SFHVURJKSA-N 457.556 1.262 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCN1CCCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1760180675 JBCMBHVYYUUADA-LGVFNWMJSA-N 493.674 1.821 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2ccccc2C)CC1 1760259047 GBXAYSAGONWTPK-WOJBJXKFSA-N 457.600 1.711 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(C)(C)O)c2)CC1 1760268413 JLEWLPSSWALYBA-HXUWFJFHSA-N 464.570 1.471 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1760397333 QUMLSQAQOWBGFA-OAHLLOKOSA-N 482.632 1.247 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCN(CC)CC1)C1CC1 1760476844 ILVPEGXODJPUSO-FQEVSTJZSA-N 466.652 1.888 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1760515281 CESHGMTUQGMYNU-AWEZNQCLSA-N 467.621 1.370 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1760532661 AURQGBQNSTZITP-UGKGYDQZSA-N 490.561 1.666 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1760548296 COWDEQPCUIKROT-UHFFFAOYSA-N 498.565 1.934 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C)C1 1760551217 XMQUBEWMHVEDLA-HNNXBMFYSA-N 454.574 1.175 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1760558614 VCQZTKFRZUSRBO-ZWKOTPCHSA-N 489.598 1.524 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNS(C)(=O)=O 1761356342 FJZNJMFQNJFRGR-ZDUSSCGKSA-N 453.956 1.149 30 10 JDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)CCO1 1770960038 CFNYMVNXLPVUEJ-IBGZPJMESA-N 456.547 1.885 30 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30 10 JDEE CC(C)(C)OC(=O)NCCONS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2255933281 MSAGVOHQPVOOMO-UHFFFAOYSA-N 460.333 1.860 30 10 JDEE COC[C@@H](CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2256670208 ZQHBTGPUPIMDDA-CYBMUJFWSA-N 455.386 1.988 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1O 2267146856 QCMXXOFNIHUXQI-NWANDNLSSA-N 450.345 1.103 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C[C@H]1O 2267288537 DDIOMNHMYYHQFV-FVQBIDKESA-N 450.341 1.973 30 10 JDEE CC[C@@H](CN(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2267376670 ZSMWAXOOYUTFIJ-AWEZNQCLSA-N 472.417 1.643 30 10 JDEE CON(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267491868 KBKZTDVUZCBGHD-AWEZNQCLSA-N 450.345 1.732 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)n1 2267543049 BAVGQMNBBVRSCJ-OLZOCXBDSA-N 453.324 1.192 30 10 JDEE 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C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1286391306 DRFNFLFCLJTVSM-WOJBJXKFSA-N 474.583 1.482 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1C(F)(F)F 1286411052 XZRLXOLSZQUJIG-SFHVURJKSA-N 499.490 1.890 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCS(=O)(=O)CC1 1286446486 GLSUOZYPBZZQDT-SFHVURJKSA-N 481.619 1.871 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](C)COC)CC1 1286473937 WGTXBWYKBGEFLC-GOSISDBHSA-N 460.604 1.233 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1286509354 OZVUXOGBJBQSAP-KKSFZXQISA-N 464.588 1.784 30 10 JDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CC1)COC(=O)N2 1286548680 PKPKEQXMVIBVNI-KBPBESRZSA-N 456.341 1.990 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(=O)N1 1286744819 MXAFOKWNWUZKNP-MJGOQNOKSA-N 492.577 1.221 30 10 JDEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCS(=O)(=O)C1 1286750069 NZPGDSUURSDQDD-FQEVSTJZSA-N 465.601 1.204 30 10 JDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1286769100 PNCBWLWFSWMAJX-INIZCTEOSA-N 462.576 1.322 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN2CCOC[C@@H]2C1 1286793566 YVFFCSHXIXOLLM-KRWDZBQOSA-N 458.588 1.402 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C)C(=O)C1 1286819754 UYQFUMYIQGXAKQ-UHFFFAOYSA-N 456.528 1.479 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1286820871 UKNVCPCVCDATBF-SFHVURJKSA-N 477.562 1.484 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CS(C)(=O)=O)cc1 1300308436 OXAISIUZFMFHCQ-MAUKXSAKSA-N 450.586 1.231 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)COC)CC1 1300412019 PZGNMJDULUMFRB-SFHVURJKSA-N 476.578 1.295 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300495475 HZRWVEWWDVXWIF-AZUAARDMSA-N 477.631 1.638 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1300500536 BAZBMNCZWKGYNN-UTKZUKDTSA-N 475.596 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462.620 1.434 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1358958657 SZKLAUIDIBQPBA-LJQANCHMSA-N 466.523 1.626 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccnc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1358964137 UNGZTBHPYDZNOB-HOTGVXAUSA-N 469.489 1.871 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358965534 XAFCIFAGJRKREH-KKLQWCBXSA-N 458.584 1.344 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCS(=O)(=O)C1 1359024106 FIMNZFXDVDECCM-RBUKOAKNSA-N 495.646 1.913 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@@H]2CCCCS2(=O)=O)n1 1359027386 HOVUXIGGNPHTNX-FQEVSTJZSA-N 483.598 1.790 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)n1 1359063730 BSUKINZJTONSRC-VGOFRKELSA-N 473.603 1.160 30 10 JDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1359077634 HEBSBNSAWHNFDJ-QGZVFWFLSA-N 485.427 1.655 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(N)=O)CC1 1359203871 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C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(N)=O)CC1 1705913800 YIBCSYLBMJLNMD-LJQANCHMSA-N 473.599 1.885 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1cc(Br)cn1 1722294125 GFONEQICBALCNM-KGLIPLIRSA-N 455.382 1.687 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1722382993 FCFCYUQONMZDRI-SFTDATJTSA-N 488.589 1.126 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(F)cn2)CC1 1722434017 JYFNFADQTAJWOL-UHFFFAOYSA-N 454.531 1.686 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCNC(C)=O)CC1 1722436461 HDVSKMBGWAJTKL-HXUWFJFHSA-N 473.622 1.674 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1722458987 ZKSXNGYVWJZHAU-SFHVURJKSA-N 455.544 1.830 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOCC1CC1 1722475641 WKSRIMDQYNTISQ-WIYYLYMNSA-N 451.593 1.420 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc(CC)nc1C 1722516524 ATHMUEXZRJSVDU-QGZVFWFLSA-N 452.581 1.921 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCN(CC)CC1 1722518083 UGRQTMRGLBOQHM-UXHICEINSA-N 483.683 1.039 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCSC1 1722658135 FSRPETATGFOVQR-UGKGYDQZSA-N 493.655 1.672 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(OC)c(O)c1 1722724851 HZNNURNPJSCHIE-UHFFFAOYSA-N 463.560 1.466 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC(C)C 1722727637 NPZHZFGHUHUCDI-UHFFFAOYSA-N 454.622 1.931 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1722737169 VWZPIJMBUDMRTI-LJQANCHMSA-N 459.572 1.693 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(=O)(=O)NC(C)C 1740537763 HHPXTEXMUQLANL-OAHLLOKOSA-N 481.648 1.332 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1740617326 PMIWCZBKDQGZEG-UTKZUKDTSA-N 454.593 1.230 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1740619124 MMOUKNQQRIQTEW-DYESRHJHSA-N 464.613 1.861 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1740622698 GZNQAQDXNYJKRA-MRXNPFEDSA-N 484.582 1.244 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cnnn2C)CC1 1740694984 ZFSFPTGDRXJKKU-SFHVURJKSA-N 469.594 1.325 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(N3CCN(CC)CC3)nc2)CC1 1740707791 PVAQTEGUJCUQMV-UHFFFAOYSA-N 494.644 1.366 30 10 JDEE C=C(Br)Cn1c(N2CCN(CCOC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740750601 SIEFLKKQDIBVCW-LJQANCHMSA-N 458.401 1.996 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1740788857 YKVXTVLWZHKQGV-KURKYZTESA-N 498.650 1.784 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740850470 HKBUYJOYTOJBHG-HOTGVXAUSA-N 464.592 1.255 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cnn(C)c2)CC1 1740888503 UCVODGCTVFXUGO-FQEVSTJZSA-N 493.634 1.321 30 10 JDEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cc[nH]n1 1740920456 NULSZUXZBPNJHV-UHFFFAOYSA-N 454.560 1.921 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccc(F)cc1 1740932362 MGLGLYKODNUIBZ-KNQAVFIVSA-N 479.578 1.836 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1740957525 QVJAXVMTTKEGMO-UHFFFAOYSA-N 480.617 1.459 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1740960501 UAIXMKDYGCZORB-HXUWFJFHSA-N 484.601 1.814 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnn(C)c1 1740960531 UHXQLTHRZMOBRK-QGZVFWFLSA-N 474.566 1.259 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](CNC(C)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740964288 AQBVCEYFEZCNMP-QRVBRYPASA-N 489.621 1.704 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)NCC)CC1 1740968302 HMXGZNNWVRZJDO-UHFFFAOYSA-N 467.574 1.979 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)CC1 1740969245 LOEYNMAJZIBVMT-IBGZPJMESA-N 461.588 1.867 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCOCC2)c1 1748691677 JJNLQFOGFPTPOQ-MRXNPFEDSA-N 474.587 1.371 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCCc2cnn(C)n2)c1 1748692419 HBXFYIKGKWWHJR-LJQANCHMSA-N 462.558 1.990 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1748801745 FSNYKTAISYBBED-IBGZPJMESA-N 486.598 1.252 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCS(=O)(=O)C1 1748948511 PNPLRMSCQLJJFL-QGZVFWFLSA-N 479.990 1.382 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cccnc2)CC1 1749000905 DDSMKKRLRGZHHL-UHFFFAOYSA-N 458.526 1.529 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2cnnn2C)CC1 1749006228 KRQNCAITZAAHAR-UHFFFAOYSA-N 468.949 1.750 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCOCCCC)CC1 1749008885 IKVDGXFNTLEPFA-UHFFFAOYSA-N 491.596 1.975 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCNC(=O)c2cccc(C)c2)CC1 1749019167 NIKRTFFIAOUFAM-UHFFFAOYSA-N 452.559 1.519 30 10 JDEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749033014 XTWMCNKJYYMWCN-INIZCTEOSA-N 486.623 1.665 30 10 JDEE C#CCSCCn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749047675 CEFNZRWNJFOYEB-MZKRTTBSSA-N 463.648 1.842 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1749136457 NQWZMLWWUIVQFC-ICSRJNTNSA-N 463.608 1.203 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2OCCC2(C)C)CC1 1749342948 SXZMILWNDPZKRA-ZWKOTPCHSA-N 453.609 1.829 30 10 JDEE C=CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749393108 KFICPJBDDABTHE-MRXNPFEDSA-N 454.531 1.466 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(C)c2C)CC1 1749651124 OBUGORWIQSAWML-GOSISDBHSA-N 475.619 1.134 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)OCC)CC1 1749652723 RPEKIUBDDSQMMG-UHFFFAOYSA-N 480.367 1.627 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCN2C(=O)OC[C@H]2C1 1749655397 JVVHWWZCTAJKNI-CYBMUJFWSA-N 491.346 1.659 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749659422 BRWOWKLQNZUCJW-UHFFFAOYSA-N 470.541 1.359 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)OC)CC1 1749669527 INWSAYIAJOJBRP-QGZVFWFLSA-N 491.593 1.583 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1749670493 UKPFHCNDFVCGLD-QUCCMNQESA-N 454.575 1.976 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1749672183 RTOIOYNRFKNGRQ-GOSISDBHSA-N 476.578 1.315 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1749677739 JGGZHYVKYOBPMJ-SFHVURJKSA-N 498.613 1.291 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccc(F)cc2)n1CCS(C)(=O)=O 1752279914 BWESBVKVOXOXIJ-MRXNPFEDSA-N 484.561 1.429 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1CCC 1760116446 HISKACJDUPAWLJ-OTWHNJEPSA-N 452.625 1.333 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1760187210 CBFSMYINXFXKKB-RTBURBONSA-N 457.604 1.626 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCOC[C@@H]2C)n1 1760253138 VXVJWWZOOXDEPV-XUVXKRRUSA-N 490.630 1.336 30 10 JDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760273730 CXQUPZLCOIIZMZ-UHFFFAOYSA-N 479.628 1.800 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCC1 1760501241 KKIARBOVRGSXIB-SFHVURJKSA-N 465.576 1.354 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2cccc(Br)c2C1 1760516403 MNZCOGABFCGSGN-LBPRGKRZSA-N 483.392 1.473 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1760521112 JRVRXIQOUVOJAQ-SJORKVTESA-N 464.574 1.413 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1760522562 WLHUFYJOZNVXLU-IBGZPJMESA-N 492.646 1.101 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1760525076 SRMOXIGIFBBFRO-HNNXBMFYSA-N 482.557 1.215 30 10 JDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccc(F)cc3)n2CCNS(=O)(=O)Cc2ccon2)C1 1770730584 ARTGEXBNOQCCAR-HXUWFJFHSA-N 477.497 1.558 30 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JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1286815672 YQINPAVKZVSDJK-PMACEKPBSA-N 462.572 1.939 30 10 JDEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@H]2C1 1300363860 HELUKIOPIYCTMM-WOJBJXKFSA-N 474.606 1.911 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1300384180 NFMJZGSIZBZNCS-KRWDZBQOSA-N 460.608 1.542 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1300482195 DPKOTLAEHMZNKE-REWPJTCUSA-N 490.630 1.312 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1300485325 YWKVPBJGFVZLNS-REWPJTCUSA-N 458.584 1.914 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O)[C@H]1CCS(=O)(=O)C1 1300506370 REDZZYPZUWIOTN-YZGWKJHDSA-N 489.573 1.240 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(S(C)(=O)=O)cc1 1300780810 XXJBKCQGTSVABJ-HRAATJIYSA-N 479.628 1.527 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1300889075 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C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](C)(C(N)=O)C2)cc1 1508096499 HCXQFNWYTUKKFS-VFNWGFHPSA-N 462.576 1.203 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 1508101355 XYWIKFLHINDZNR-UYAOXDASSA-N 488.614 1.608 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCC(=O)N(C)C)C1 1508116815 PAGPSNOXIIIPKU-IBGZPJMESA-N 451.535 1.571 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1508135686 NKFVABFYRJXGCY-NRFANRHFSA-N 480.612 1.570 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](c2cnn(C)c2)C1 1508147541 KVFZYBMUKGJBHY-LNLFQRSKSA-N 464.592 1.330 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CC1)N(C)C 1517105312 FJWFIJQAVYMWNF-SFTDATJTSA-N 487.630 1.459 30 10 JDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(NC(=O)COC)CC1 1539067304 CRUBWPSOBPBNGW-UHFFFAOYSA-N 487.630 1.773 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1539093583 AHVVFLUUIHZBQD-GJZGRUSLSA-N 451.553 1.386 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2C)CCOCC1 1539179271 OFKDLZVMVCXGAK-NRFANRHFSA-N 487.626 1.737 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1c[nH]c2ccccc12)[C@@H]1CCS(=O)(=O)C1 1539203736 UHQKJYAEZFVHDS-GOSISDBHSA-N 468.583 1.767 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1539229208 AFXFWPAGLMNNBB-GOSISDBHSA-N 457.556 1.094 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1539620183 JXDXARRTBXMVFR-IHPCNDPISA-N 489.598 1.281 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1540861907 LBZHAGKAPXFDGZ-UHFFFAOYSA-N 458.592 1.216 30 10 JDEE C=CCSCCn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@]1(OC(C)C)CCOC1 1540922344 LMAVXNGEGHPIKC-QFIPXVFZSA-N 478.619 1.759 30 10 JDEE CC(=O)N1CCN(CCn2c(N3CCC[C@@](C)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1541007536 SQYMAOQHIQDWQM-BJKOFHAPSA-N 473.622 1.613 30 10 JDEE CNC(=O)[C@H]1CN(C(=O)CN2CCCC2=O)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375648 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QFRWAVCYDAKDPA-FPOVZHCZSA-N 456.616 1.623 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)CC1 1588199484 QQFRQIPTLWKGLI-UHFFFAOYSA-N 455.462 1.425 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N2CCCCC2)CC1 1588877059 TVHLDISXIHCYAL-UHFFFAOYSA-N 469.634 1.744 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1588954231 BOGMGCMSIIPRPB-SFTDATJTSA-N 479.629 1.729 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1588983865 CTSSIOWJHPDDSZ-AWEZNQCLSA-N 464.573 1.726 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCCS(C)(=O)=O)CC1 1594241565 UXMZDBUHJQYWGZ-GOSISDBHSA-N 489.664 1.228 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCSCC1 1595821913 DKLXVDHQCHYEHS-UHFFFAOYSA-N 490.699 1.797 30 10 JDEE CC(C)CN1CCO[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccccc3C#N)CC2)C1 1607572702 GRHTYMMHUANOJC-QFIPXVFZSA-N 494.644 1.971 30 10 JDEE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 1624813442 IBEQNRFWZZSXBQ-VBQJREDUSA-N 452.533 1.237 30 10 JDEE Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@H](C)Oc3ccc(C#N)cc3)CC2)cc1 1632819946 DHYQTDOGQIEMOK-IBGZPJMESA-N 456.568 1.757 30 10 JDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1689933171 CMVXPMDGDQEKGL-QHCPKHFHSA-N 451.619 1.909 30 10 JDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)CN1CCOCC1 1689948837 HUEPSFZMUYPBME-QGZVFWFLSA-N 459.620 1.584 30 10 JDEE C#CCN(c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1689984001 JMIUYMVWYSIFAK-GOSISDBHSA-N 474.583 1.894 30 10 JDEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1689988736 VJECOLNMAPBTKX-SFHVURJKSA-N 482.610 1.980 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccc(F)cc1 1690047343 OJYSXMFPZYSYFY-NZQKXSOJSA-N 489.573 1.121 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2COCCO2)CC1 1690140139 NGLWKCFIDSUQQT-LJQANCHMSA-N 469.542 1.344 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1690674960 LQUZIUYEYZRKTA-XMMPIXPASA-N 454.575 1.769 30 10 JDEE CC(C)n1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CCNS(C)(=O)=O)c2ccccc2c1=O 1692661109 FYRLFLCQICTPFJ-OAHLLOKOSA-N 472.575 1.523 30 10 JDEE CCO[C@]1(c2nnc(N3CCO[C@H](c4cccc(C#N)c4)C3)n2CCCS(C)(=O)=O)CCOC1 1696083037 AVCLRKXLBWONFT-NZQKXSOJSA-N 489.598 1.814 30 10 JDEE CO[C@@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1697109900 GJPJQXYHLIOBMF-LSDHHAIUSA-N 482.010 1.775 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)C)c1 1705506951 MWBDEPWWYKWNGM-LJQANCHMSA-N 474.587 1.323 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705558631 CYKIOCPGMMRPEQ-ZIFCJYIRSA-N 465.620 1.496 30 10 JDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1cnn2ccccc12)[C@H]1CCS(=O)(=O)C1 1705560748 NBOLLIIPFJGEAC-MJGOQNOKSA-N 472.571 1.325 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1705562505 DNAKRRUZFQIMAI-INIZCTEOSA-N 465.963 1.162 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCC2(C)C)CC1 1705638954 CCBXOGQQTWTSFL-RTBURBONSA-N 464.636 1.193 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1nc(C)cc1C 1705674752 PZQONHDLNWVMOX-DENIHFKCSA-N 475.619 1.507 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOC[C@H]1C 1705883770 USLVSGHURLIZDL-QGZVFWFLSA-N 453.547 1.953 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705935008 DJKVYPSTRFOUBT-LJQANCHMSA-N 466.629 1.792 30 10 JDEE CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)C[C@H]1C 1710206824 GXYBCCJQEYDNHR-WOJBJXKFSA-N 464.618 1.900 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1711019504 FHFBVQPVACQRCN-FQEVSTJZSA-N 485.614 1.451 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCn1cc(Br)cn1 1722274914 AQHDKENMNIZCLQ-KGLIPLIRSA-N 472.413 1.786 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCOC2)c1 1722307005 IJHRXAMAAVOXOA-XMMPIXPASA-N 494.577 1.477 30 10 JDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1722330211 QACRCIBSJLSERD-MOPGFXCFSA-N 491.596 1.973 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722366102 PKAYNNCUVKYULQ-HNNXBMFYSA-N 452.462 1.706 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722370240 MHIMTOALEPPATL-QZTJIDSGSA-N 461.588 1.443 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCS(=O)(=O)c1ccccc1 1722371059 SEBYYCINDMSMAC-UHFFFAOYSA-N 462.535 1.862 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(C(N)=O)CCOCC2)CC1 1722434722 VAYOHFVDXVAFOG-UHFFFAOYSA-N 460.941 1.775 30 10 JDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722457029 MXZWMLMECNYDDZ-UHFFFAOYSA-N 463.567 1.110 30 10 JDEE CC(=O)N1CCCN(c2nnc(COc3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1722775818 RYDSRJIBVLCICX-FCQUAONHSA-N 497.531 1.581 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)NC(C)C)C[C@H]2C)CC1 1722797038 BEYABYJJKKTGMB-AUSIDOKSSA-N 492.628 1.720 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC[C@@H]2COCCO2)c1 1740562787 OETGYWWLMRIJQB-HXUWFJFHSA-N 466.542 1.376 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cc(C)on2)CC1 1740575450 SMAMRYACPCSBFZ-HXUWFJFHSA-N 491.618 1.033 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1740615627 IBWXORXCICURGX-MRXNPFEDSA-N 488.961 1.102 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1740618104 CDBKUPZKUVIDNJ-HNAYVOBHSA-N 484.420 1.834 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1740622956 LNSKNLHEJONFJT-SJORKVTESA-N 453.634 1.635 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1c(F)cccc1F)N(C)C 1740662695 VRKSDLLPMOHPJO-PBHICJAKSA-N 454.547 1.929 30 10 JDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1740782545 VISOABVFBMGQNG-HNNXBMFYSA-N 451.622 1.887 30 10 JDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1741702774 IDOPLXXXGSSRQT-CVEARBPZSA-N 462.576 1.511 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCNS(=O)(=O)Cc1ccon1 1748658829 YHNYESZAWGTOSN-CQSZACIVSA-N 458.500 1.239 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCn2ccnc2C)c1 1748692651 KPKKCFDSQDFBQH-IBGZPJMESA-N 481.582 1.442 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1748821911 WBJLUGPDSJFIQY-HXUWFJFHSA-N 473.599 1.627 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748903173 TWXJXTRJAILTGM-LJQANCHMSA-N 471.583 1.610 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748944646 ARXIJBUJJBDYNA-HKUYNNGSSA-N 474.562 1.290 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1748977906 DUKWMAKXOUIEEE-QRWLVFNGSA-N 463.380 1.341 30 10 JDEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1749404161 ULOWZEYIBNVSDQ-UHFFFAOYSA-N 456.595 1.834 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@@H](c2ccccc2)C1 1749650613 CKLZVWZLNAYCIM-SJLPKXTDSA-N 462.576 1.159 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749652721 RNTQKYVZJIBBOQ-WBVHZDCISA-N 471.537 1.900 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749669116 BXVOHDCWCJIHLE-SFHVURJKSA-N 453.551 1.062 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(COc2ccccc2)CC1 1749678093 VWPLQGVAHBJYPX-UHFFFAOYSA-N 452.559 1.998 30 10 JDEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 1749685843 MARDPFXOMTZNSJ-UHFFFAOYSA-N 452.559 1.725 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1749721378 IKDNACSNBSLIMU-IAGOWNOFSA-N 458.592 1.769 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749737189 ZAGLMEVHKDTZQH-UHFFFAOYSA-N 490.561 1.129 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1749740483 FKZKWNWHPPFAKD-CEWLAPEOSA-N 494.662 1.109 30 10 JDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1)N(C)C 1751149099 GGRSYUPIGMPGPS-RXVVDRJESA-N 450.547 1.781 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCO2)c1 1760125400 HRDNDCQAFHUVQH-QFBILLFUSA-N 474.587 1.514 30 10 JDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1760170914 RPFYZVJQIDLIOD-INIZCTEOSA-N 454.556 1.569 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1760188024 ZCHYYDODOGPXEP-PBNKOMEISA-N 482.578 1.685 30 10 JDEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1CC1(O)CCS(=O)(=O)CC1 1760207275 CTHTXVWRUWFKEJ-UHFFFAOYSA-N 462.959 1.523 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccco1 1760241582 DLVNQGWCRUXZST-SFHVURJKSA-N 485.541 1.982 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1C 1760296176 YVRCXOTYXUHOJP-OPAMFIHVSA-N 456.551 1.755 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1760333427 FQOUUGQTOVWILU-TYZHSBRISA-N 474.606 1.578 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1760524159 QKVHUGJCGSCUCX-MOPGFXCFSA-N 473.622 1.044 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CN2CCOCC2)CC1 1760526537 PVRTYGWPHCELRC-UHFFFAOYSA-N 487.630 1.120 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)CC1 1760554919 QWVNLAJHXYLLEA-FQEVSTJZSA-N 477.587 1.160 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1760556475 FCSHYUMYMDJPDE-FQEVSTJZSA-N 470.603 1.915 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1760565815 FODZJAWSSMYVKP-KSZLIROESA-N 471.649 1.678 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@@H]2CCCCO2)CC1 1760620133 GHFSLJAKLUCOSW-QFIPXVFZSA-N 451.575 1.986 30 10 JDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCNC(=O)Cc2cccc(F)c2)CCO1 1770750935 AKXDUBPKMDMRSI-SFHVURJKSA-N 497.556 1.496 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1772516541 LGTLSROWARRNFA-FCQUAONHSA-N 462.485 1.986 30 10 JDEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCCC[C@@H]2CCO)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865734275 IYRQTJIANMXARX-APWZRJJASA-N 496.564 1.107 30 10 JDEE CC(C)N(CC(=O)N[C@H](CO)C(=O)Nc1ccccc1C#N)S(=O)(=O)c1ccc(F)cc1 1867228288 QMXJWJUQSQRMAT-LJQANCHMSA-N 462.503 1.212 30 10 JDEE O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931956 NMOZTPNBMLYYHS-HXUWFJFHSA-N 456.568 1.175 30 10 JDEE CN1CCN(CC#CCOC2CCN(C(=O)c3nc4nccnc4cc3Br)CC2)CC1 1889508851 UAILBEZTBYCJNO-UHFFFAOYSA-N 487.402 1.659 30 10 JDEE CC(C)N1C(=O)CS[C@H](C(=O)NC[C@H](O)Cn2ccccc2=O)[C@@H]1c1ccc(C#N)cc1 1889619595 WMNHMNIIYYMXCM-NYVOZVTQSA-N 454.552 1.291 30 10 JDEE CN(CC(=O)N1CCN(c2ncccc2C#N)CC1)c1nc2c(S(C)(=O)=O)cccc2s1 1892329365 NWSSNANNCVIGOM-UHFFFAOYSA-N 470.580 1.751 30 10 JDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)[C@H]1c1ccc(C#N)cc1 1892336769 GWOBZDBKFINULK-RTWAWAEBSA-N 476.624 1.588 30 10 JDEE CC1(C)OB(c2ccc(CN3C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C3)cc2)OC1(C)C 2162870654 XNVSFZRKVQTKQK-HOCLYGCPSA-N 455.286 1.340 30 10 JDEE CC1(C)OB(c2cncnc2C(=O)NC2CC(NC(=O)OCc3ccccc3)C2)OC1(C)C 2247929324 LQGJOBAYIOSJPE-UHFFFAOYSA-N 452.320 1.963 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2258956703 GRYKWIPNRDEXLR-OAHLLOKOSA-N 456.370 1.162 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2267408793 KOGMYDRBDZBKJF-UHFFFAOYSA-N 450.316 1.837 30 10 JDEE CC(C)(C)OC(=O)NCCOCCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267706829 GHXBUDYMARWBEC-UHFFFAOYSA-N 491.441 1.403 30 10 JDEE COC(=O)[C@H](CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2268668175 CFKAYZIDOMUFSJ-ZDUSSCGKSA-N 469.369 1.515 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2268712895 XYIVAOGXRZWVCA-CQSZACIVSA-N 467.397 1.822 30 10 JDEE CO[C@H]1[C@@H](C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2271460214 FILAKACLXASZQT-IXDOHACOSA-N 452.357 1.777 30 10 JDEE Cn1nc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2CO)cc1B1OC(C)(C)C(C)(C)O1 2281962993 GSRAHDJTHJNUJX-GOEBONIOSA-N 464.372 1.067 30 10 JDEE CC1(C)OB(c2cc(C(=O)N3CC[C@H]4COC[C@@H](C3)N4Cc3ccccc3)[nH]n2)OC1(C)C 2281990113 JDAHNJBFQOIOKO-RBUKOAKNSA-N 452.364 1.824 30 10 JDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 2282018566 YNICKBTZICTBDM-UHFFFAOYSA-N 479.770 1.844 30 10 JDEE Cn1cc(C(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2282038019 CNLVNNHHHQVKQJ-UHFFFAOYSA-N 463.388 1.002 30 10 JDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O 2282594196 BFRGFEOMKZINAP-ZDUSSCGKSA-N 481.380 1.897 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2282850331 NRHPBOLADZLIJJ-AWEZNQCLSA-N 482.412 1.397 30 10 JDEE C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=NNC(N)=S)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297640027 GCCGBFMXLFQGFE-QVFBGSPMSA-N 477.627 1.518 30 10 JDEE COCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2331569515 KDLREOUBRWXDAO-UHFFFAOYSA-N 488.482 1.988 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCOC1CN(C(=O)OC(C)(C)C)C1 2337062918 UYLXBGDCAJCPLF-UHFFFAOYSA-N 450.345 1.085 30 10 JDEE CCON(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C1CN(C(=O)OC(C)(C)C)C1 2337192906 AAWHLZQXJUKIQB-UHFFFAOYSA-N 450.345 1.732 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2COC[C@@H]2CNC(=O)OC(C)(C)C)n1C 2362335526 LNPSTWHFNRHLOF-GJZGRUSLSA-N 464.372 1.297 30 10 JDEE CC(C)(C)OC(=O)N1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@@H](CC(N)=O)C1 2369312370 FZPBSTGJCJCUDK-HNNXBMFYSA-N 464.347 1.821 30 10 JDEE Cc1cnc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2CC(N)=O)c(B2OC(C)(C)C(C)(C)O2)c1 2369312814 KAGYDFXUWDCOQG-MRXNPFEDSA-N 460.384 1.990 30 10 JDEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2370334164 XYIIVOOBZILQBI-UHFFFAOYSA-N 462.352 1.076 30 10 JDEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(NC(C)=O)c3)n2N)c1O 21318801 ZOUKQGWNAIJOQF-LSHDLFTRSA-N 470.515 1.841 30 10 JDEE C=C[C@]1(C)CC(=O)[C@]2(O)[C@](C)(O1)[C@H](OC(=O)CCC(=O)O)[C@H](O)[C@@H]1C(C)(C)CC[C@@H](O)[C@@]12C 256356210 GAXOOYZVVOXRCK-YKXQWDQOSA-N 468.543 1.365 30 10 JDEE in-vitro C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 519874928 YJBVLEYCIOSXMP-UHFFFAOYSA-N 458.496 1.544 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 521135373 RKFURLXVSJKPST-UHFFFAOYSA-N 496.939 1.474 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCCO3)c(=O)n1-c1ccccc1C#N 604002609 CHJQLLVXZNOCCC-UHFFFAOYSA-N 484.537 1.737 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1[C@@H](C)c1ccccc1 917794361 FNOSMWZERIBUBO-SFHVURJKSA-N 482.569 1.905 30 10 JDEE COc1cc(C=NNc2nc(SCC(=O)Nc3nnc(C)s3)n[nH]2)cc([N+](=O)[O-])c1O 1083881367 HCWGRYBEQRDILF-UHFFFAOYSA-N 465.477 1.764 30 10 JDEE C#CCN(CC(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1191988028 VIVMNVJNDZWKIT-HXUWFJFHSA-N 453.564 1.986 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OCC 1286409361 KWYDLZSNEVOKFG-OAQYLSRUSA-N 471.583 1.325 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCc2ccccc2C1 1286410104 SDKVHTHAOPFHOL-KNQAVFIVSA-N 451.596 1.700 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1286483859 BCKDZMVSADPDHV-FQEVSTJZSA-N 452.559 1.536 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)CC1 1286489072 DYTOORDBBUUIBV-QHCPKHFHSA-N 450.568 1.651 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N1CCCCCC1 1286522108 HERQUVBHXIKYBT-WMZHIEFXSA-N 492.646 1.396 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCC[C@H]1C 1286522140 HVBUJVLEBWCAOO-OVQGTLEDSA-N 451.593 1.154 30 10 JDEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1286677460 BLVPCBNVMKRFIP-LJQANCHMSA-N 460.604 1.858 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@](C)(C(N)=O)C1 1286778819 BKALDBAWCMUBLB-IBGZPJMESA-N 465.327 1.851 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1286781672 XAHXXVJHJYCWEN-UHFFFAOYSA-N 459.595 1.384 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(F)cc1)C1CC1 1286787937 MPGMPPSLQOKEPO-IBGZPJMESA-N 492.577 1.221 30 10 JDEE C[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1CNC(=O)OC(C)(C)C 1298927630 DXSVGAYTPZWQDY-DOTOQJQBSA-N 450.561 1.846 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1300504546 OLIHBXOCUGENSA-FQEVSTJZSA-N 457.600 1.888 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(C)COCCO1 1300647909 CJPRNWGXTVOBHE-JOCHJYFZSA-N 461.950 1.753 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cccnc2OCC(F)(F)F)CC1 1300695922 PRTDDVOPRVRJPK-UHFFFAOYSA-N 458.448 1.875 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(O)cc2)CC1 1300716754 QGQILRLAAIIRQK-XMMPIXPASA-N 453.543 1.650 30 10 JDEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1300743649 WVBISSNEXYTRFS-CQSZACIVSA-N 464.393 1.958 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1300743702 YGLXQBOBPWVNCT-MRXNPFEDSA-N 461.613 1.807 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1301187946 FOBZXEQNXXHVCV-AABGKKOBSA-N 482.651 1.124 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1301500515 MYSFYFWVWTUJSA-IBGZPJMESA-N 471.583 1.582 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1301567594 KCOQMZJTVJDXTN-UHFFFAOYSA-N 490.561 1.107 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN2CCCC2)CCO1 1301898037 BHNXDGCWVDFLNN-PGRDOPGGSA-N 451.575 1.890 30 10 JDEE COc1ccc(CN(CCO)CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)c(OC)c1 1307457371 FHBMFXYBBDGZKF-HXUWFJFHSA-N 458.584 1.969 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1358955340 KBTUPFJHPVCRBB-SFHVURJKSA-N 487.582 1.206 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1358959866 RDZKIJKKXCRLJK-GOSISDBHSA-N 484.582 1.679 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOc1ncccc1Cl)[C@@H]1CCS(=O)(=O)C1 1358963340 GMACNIUXBURSGU-HZPDHXFCSA-N 465.963 1.536 30 10 JDEE C#CCN(c1nnc(COCC)n1CCNc1nccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1358967689 QEPFIHUDOZBKCR-AWEZNQCLSA-N 487.508 1.362 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCc1ccco1 1358991935 UONUSHMOGMCCPG-UHFFFAOYSA-N 479.566 1.611 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@]2(O)CCN(C)C2)CC1 1359032925 ITCGRXDBIPVFDR-DEOSSOPVSA-N 454.575 1.174 30 10 JDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCC(=O)N(CC)CC)CC1 1359037852 ZKJPBYPBCNJLBD-UHFFFAOYSA-N 462.602 1.920 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2nnn(C)n2)CC1 1359040584 BARRHLOLCYDRMH-OAHLLOKOSA-N 467.509 1.095 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccnc2OCC)CC1 1359044305 BTJKPWOFAORFAX-HXUWFJFHSA-N 452.559 1.980 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCCC(=O)NC 1359055132 TZEFLMXFECAUQF-UHFFFAOYSA-N 453.572 1.521 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CCC(N)=O)CC1 1359091812 SKIGLBNLXZTTIH-WDYCEAGBSA-N 468.624 1.351 30 10 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CVXBSQWCYQDLDU-DLBZAZTESA-N 461.567 1.813 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1508072853 KXYCYJVVWDZGCV-INIZCTEOSA-N 471.993 1.690 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1508137379 ZMWBXASTIJHOFG-VGSWGCGISA-N 457.556 1.802 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](n3cc(C)cn3)C2)nnc1[C@]1(OCC)CCOC1 1508149026 NMXZVSAAJKIVPY-KNQAVFIVSA-N 478.619 1.877 30 10 JDEE C[C@@H]1CCCN(C(C)(C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)C1 1512180736 CQFYKPGXSOBQBF-QRVBRYPASA-N 481.667 1.860 30 10 JDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)CC1 1515121689 HTAKMWFBILZOBD-UHFFFAOYSA-N 467.574 1.556 30 10 JDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1519605798 FIPAIQDAFXWCDT-LJQANCHMSA-N 457.604 1.678 30 10 JDEE CS(=O)(=O)[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1530234448 GKKDQLHUUOGQCM-GOSISDBHSA-N 453.586 1.385 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccsc1)N(C)C 1539015958 RRMVPGCXQKJQJO-CGTJXYLNSA-N 466.633 1.433 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1Cl 1539016960 WIMJJXRAYNISHT-CXAGYDPISA-N 455.943 1.910 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CCCNC(=O)c1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1539201592 APPLIWRVXMDUQW-GOSISDBHSA-N 459.572 1.554 30 10 JDEE C#CCN(c1nnc(C)n1C[C@@H](C)N1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1539205698 JIAPVSQGXPZGTP-KNQAVFIVSA-N 456.616 1.424 30 10 JDEE C#CCN(c1nnc(-c2cccc3cccnc23)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1539211227 JJJBNFLJXIDQDJ-DVECYGJZSA-N 483.594 1.908 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1539230267 FPCZGZIUIARFDH-SXYSDOLCSA-N 480.631 1.690 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1ccc(C)c(F)c1 1539283846 BIBDWKPTANHRRN-FPOVZHCZSA-N 453.518 1.952 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1539361952 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1634781867 AYUNMMOQADYUNI-HOTGVXAUSA-N 450.001 1.744 30 10 JDEE C=CCC1(O)CCN(CC(=O)N(CCC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)CC1 1644571265 WYAAQGYDICGYMD-UHFFFAOYSA-N 455.559 1.725 30 10 JDEE C=CCC[C@@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1648528669 JBGKMNJOVZUJJS-GOSISDBHSA-N 451.589 1.967 30 10 JDEE Cc1nn(C)c(N2CCN(S(=O)(=O)C3CN(C(=O)OCc4ccccc4)C3)CC2)c1C#N 1661433406 CSQZDWFTLJXJJE-UHFFFAOYSA-N 458.544 1.073 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)n1 1668787738 OGKTYGWJQQXSIJ-UHFFFAOYSA-N 456.528 1.786 30 10 JDEE C#CC[C@@H](COC)NC(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1677551829 RNPUVQQWDHAMEY-KRWDZBQOSA-N 453.561 1.442 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1689977765 CGSWBTGZAZWROJ-GOSISDBHSA-N 461.975 1.843 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1689983692 FKGYOMWEQLMTGF-IEBWSBKVSA-N 492.623 1.405 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 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CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1C(=O)NC[C@H]1C(=O)O 757201367 OTPXDPUQPNDTDY-HJNYFJLDSA-N 475.501 1.623 30 10 JDEE CCN(CC)Cc1nc(C2(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CCCC2)no1 920250431 FNFCVIVWNJQKAX-UHFFFAOYSA-N 460.560 1.536 30 10 JDEE C=CCn1cc(C=NNc2nc(SCC(=O)N3CCN(Cc4nnc(C(C)C)o4)CC3)n[nH]2)cn1 1084094521 ZNMRJJRVAFZMES-UHFFFAOYSA-N 499.605 1.576 30 10 JDEE COc1ccc(C=NNc2nc(SCC(=O)N3CCN(C)CC3)n[nH]2)cc1OCn1cccn1 1084367478 IJIAFCADTGBDRR-UHFFFAOYSA-N 485.574 1.358 30 10 JDEE CC(C)CN(CCC#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1136427988 HIWMUNGZYBJDJK-UHFFFAOYSA-N 452.552 1.837 30 10 JDEE C=CCN1CC[C@H](N(C)C(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)C1=O 1155858515 MLWBSLLBVNXFPS-FQEVSTJZSA-N 459.572 1.314 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(NC(=O)OC(C)(C)C)COC1 1286288163 GRUUFEVVDJNIDF-AWEZNQCLSA-N 458.519 1.757 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286298147 GCGQFNRGANMINU-ZHRRBRCNSA-N 481.619 1.400 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1286381772 GVGWIMRVWGIGBL-AWEZNQCLSA-N 483.392 1.141 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1286394859 KVTXCABORUXOBP-HXUWFJFHSA-N 468.583 1.882 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 1286398221 WMXHRAFBROMFRQ-LJQANCHMSA-N 471.583 1.474 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1CCS(=O)(=O)N1CCSCC1 1286425462 ZLLISYQNNGKWTG-UHFFFAOYSA-N 473.624 1.795 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(OC)cc1 1286447180 KCVUCFWNYMHTNQ-IBGZPJMESA-N 463.560 1.158 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCS(=O)(=O)C1 1286454553 KDPGYZCGOOMVAL-WBVHZDCISA-N 483.591 1.102 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1286480727 ZOFRMSIVDJSGNE-MSOLQXFVSA-N 459.595 1.630 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](CC(C)C)N(C)C)CC1 1286485292 IQVCSAAXVCRZNL-HXUWFJFHSA-N 457.623 1.456 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1286492733 ILNOKWONUZOZHH-NRFANRHFSA-N 485.610 1.341 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1286495055 XHJWJCONRLBYLZ-OALUTQOASA-N 463.604 1.105 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(N3CCOCC3)c2)CC1 1286637314 BJGJUYWYFNQLAQ-GOSISDBHSA-N 460.604 1.930 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)C)C1 1286712124 SIBKMCLLNADWBO-MSOLQXFVSA-N 457.597 1.065 30 10 JDEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)CN(C)C1=O)C1CC1 1286734328 QLPFHRJLIYHEBM-JOCHJYFZSA-N 458.588 1.829 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(Cc2cc(C)no2)CC1 1286790270 PKUVTQDFTDFWIE-UHFFFAOYSA-N 456.576 1.555 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(SC)CCN(C)CC2)C1 1286800836 ROZUDDWUGDIAQZ-SJORKVTESA-N 472.681 1.497 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CC(F)(F)C1 1286820016 BUIUKJFMOUATKS-CQSZACIVSA-N 452.549 1.263 30 10 JDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccccc2S(=O)(=O)N(C)C)n1 1290645573 BHAQONZZEUZIBL-LJQANCHMSA-N 484.586 1.167 30 10 JDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1300455692 PBHWODRYWSQAJE-MRXNPFEDSA-N 454.556 1.569 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CC1CCN(C(=O)OC)CC1)[C@@H]1CCS(=O)(=O)C1 1300488250 PTANLCALNDOTIQ-GOSISDBHSA-N 472.571 1.445 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1300500779 DDABXJXCDAAHRP-LJQANCHMSA-N 454.556 1.492 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCN(C(C)=O)CC1 1300512250 SVLOUSPHYDNSCT-UHFFFAOYSA-N 480.569 1.208 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1ccn(C)n1 1300558765 BGGCVKWSMDJDAJ-UHFFFAOYSA-N 464.599 1.986 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@H](C)C1 1301403589 LYBQBMPUOKSVDH-RBUKOAKNSA-N 452.625 1.521 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1301506611 NCEHQEJRBCVTPE-UHFFFAOYSA-N 464.567 1.170 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2nccs2)CC1 1301587449 ZTUCXJRYGLGGJO-OAHLLOKOSA-N 450.590 1.671 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCS(=O)(=O)C2)c1 1358903150 MMPBNLKVRGKUPH-HXUWFJFHSA-N 495.609 1.631 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1358955306 JKKZHIHPNJQASO-OAHLLOKOSA-N 483.516 1.703 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1358963258 FGOOCPNARZCUJV-IXDOHACOSA-N 472.658 1.093 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1358965535 XAFCIFAGJRKREH-QMHWCDLVSA-N 458.584 1.344 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N1CCOCC1 1359000119 MGLFSQQSIGNGND-DLBZAZTESA-N 466.633 1.483 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](CNC(C)=O)C1 1359104151 YQFSPXRMUNERDD-UEXGIBASSA-N 488.614 1.592 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(=O)NCC)cc1 1359114136 YUPOTHNPKZKITK-FQEVSTJZSA-N 490.630 1.811 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1359302373 FFMBVCKDWDWALJ-LJQANCHMSA-N 453.591 1.945 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(S(C)(=O)=O)CCCC2)C1 1359310961 MNHQPTZPIOPFGX-QGZVFWFLSA-N 451.593 1.653 30 10 JDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)C2)cc1 1478597683 AUIPLEXYQOKHTG-NRFANRHFSA-N 456.524 1.723 30 10 JDEE CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1503260104 BIXVQCFEGSKUEP-RTBURBONSA-N 493.611 1.064 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC1CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1507623385 WJMAAQIZQCPATE-XBMUEBEBSA-N 463.604 1.346 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCOC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1507626224 DMNHEPZUUVFYQZ-IFMALSPDSA-N 483.594 1.887 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCS(=O)(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507633106 BEZRUDJEMSZCPK-SFHVURJKSA-N 496.630 1.848 30 10 JDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1507641023 XUTPYEXWUMVTJU-GOSISDBHSA-N 454.556 1.044 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCOC[C@@H]1C 1507644292 FGNICXSSMNWRAS-ICSRJNTNSA-N 455.584 1.941 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H](C)N(CC)CC)CC1 1507723481 JVPKZFSTPFNVQF-IBGZPJMESA-N 462.602 1.678 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2ccccc2)CC1 1507746424 QNEOKBBRJCFNRE-KRWDZBQOSA-N 463.629 1.743 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1507750898 HGGODNZENPKEEQ-KRWDZBQOSA-N 490.611 1.781 30 10 JDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1507775456 NMNSOYJDFPZHRE-HOCLYGCPSA-N 476.379 1.991 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1507793668 FOBGLHWPAUJPHU-PMACEKPBSA-N 456.572 1.880 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1508095681 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C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539221333 ZTIAUZARMKGRDP-OAQYLSRUSA-N 475.590 1.357 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCN1CCCCCC1=O)[C@H]1CCS(=O)(=O)C1 1539221400 OHNVOGQEVPYOGU-OALUTQOASA-N 463.604 1.201 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1539225063 LKLISZYIBIHQEG-SJORKVTESA-N 476.628 1.175 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2cccc(Cl)c2n1C 1539240209 ZQSDZFYYHXKYKS-CQSZACIVSA-N 459.963 1.550 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539391179 ALAUTLGPPLGTME-MOPGFXCFSA-N 461.563 1.842 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1539431286 QUAMLJKSXFEWQL-XLIONFOSSA-N 477.610 1.086 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C)cc2OC)CC1 1539467536 UMQJDKWNSYQCQJ-UHFFFAOYSA-N 464.570 1.845 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc(CCC)nc1C 1539557313 PZPJCZXWMVPCPB-PGRDOPGGSA-N 476.603 1.900 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1540863846 HDGIIBZXIRPYIK-MRXNPFEDSA-N 497.419 1.528 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(Cc2cc(C)no2)CC1 1540866876 DCTDKLJSEHLYTC-UHFFFAOYSA-N 481.557 1.883 30 10 JDEE CC(C)(C)Cc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCNS(C)(=O)=O 1541183401 BTDYUUHJPLHKBX-UHFFFAOYSA-N 476.607 1.480 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1541803245 FHWIFCFSBIBVJU-GDBMZVCRSA-N 451.574 1.370 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1587567985 LVIRGXJMSWPITP-WBVHZDCISA-N 493.659 1.286 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1587706066 MLEFMTDSUANLML-MRXNPFEDSA-N 453.613 1.322 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1588028829 AEAISMAPFPEYKA-AEFFLSMTSA-N 487.561 1.844 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1588034682 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C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1705558859 KIPMLFLPLJOLIR-SFHVURJKSA-N 492.001 1.873 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccnc1OCCC)[C@@H]1CCS(=O)(=O)C1 1705567527 XEIHUACACJDXCJ-RTBURBONSA-N 459.572 1.641 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCc2cccnc21 1705612798 PEEBSDPZXKDTLA-RBUKOAKNSA-N 458.588 1.586 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1705644107 YKOAXTUPIMWUMQ-UNMCSNQZSA-N 487.626 1.404 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccn(C)n2)CC1 1705644819 CLCHIDIOPNEQJG-UHFFFAOYSA-N 471.363 1.783 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCC(=O)N2CCCCC2)CC1 1705648332 RDGIAZDRMQJLQL-HXUWFJFHSA-N 456.591 1.888 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(F)(F)F)CC1 1705648630 VCHMNBWGPARGRE-UHFFFAOYSA-N 476.507 1.980 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(S(=O)(=O)CC)CC1 1705663953 HKCPPYIAZVMIFS-UHFFFAOYSA-N 450.634 1.910 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1705693591 IHEUCOMJPPRFCY-NCYKPQTJSA-N 488.633 1.863 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1705826976 OQJYWRJMGLZXSI-QHCPKHFHSA-N 488.614 1.647 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C(=O)OC)CC1 1705894742 JPFSBYBRJSYJEQ-UHFFFAOYSA-N 474.949 1.553 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](C(=O)NC)C1 1705934731 VOMGUNNXERRJIM-MRXNPFEDSA-N 456.572 1.990 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1705938012 KWNBJAAMVIYPQX-MBSDFSHPSA-N 492.598 1.851 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@@]3(CCCOC3)C2)nnc1[C@]1(OCC)CCOC1 1705939039 QKLGKWZEVAUEJB-NYVOZVTQSA-N 484.619 1.305 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCN1CCOCC1 1706619506 FRDJFECMBDJPIK-UHFFFAOYSA-N 466.590 1.337 30 10 JDEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1 1710972165 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C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722495028 ULKDKPUIWOBNSG-SFTDATJTSA-N 470.622 1.843 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(C)=O)CC1 1722690315 HOMCCFSTEQDKDW-KRWDZBQOSA-N 456.547 1.788 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCS(=O)CC1 1722731756 QWPCFRJFKSMTJV-UHFFFAOYSA-N 454.574 1.035 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1723933982 IBCAVQASYBRPBE-LRXVAGHRSA-N 491.593 1.231 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCC(CO)CC3)n2CCC(=O)N2CCOCC2)cc1 1731182050 GCVWLSCOBVMYTN-UHFFFAOYSA-N 454.531 1.186 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1740574400 KTEDZUFEZSQLKB-FQEVSTJZSA-N 492.646 1.253 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNS(C)(=O)=O 1740608119 LPCMFMJEWJQBPY-MRXNPFEDSA-N 454.597 1.401 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1740626916 NYPVOXWYRCFXTP-QZTJIDSGSA-N 472.633 1.014 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(O)CCN(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1740627899 TYGKDCGNWCSBRC-UXHICEINSA-N 479.647 1.382 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)(F)F)cc1 1740630065 FCGFALUFSMDNSH-AWEZNQCLSA-N 455.462 1.908 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1740690069 GLWGIZXUPLTMNG-KKSFZXQISA-N 481.022 1.205 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCS(=O)(=O)N2CCSCC2)CC1 1740693500 AJRNVBGVMOBGJA-UHFFFAOYSA-N 490.655 1.088 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C#N)o2)CC1 1740708672 YFDPNWAYMYEADA-UHFFFAOYSA-N 477.550 1.748 30 10 JDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740743066 KVUZKUXMBMQLEP-NSHDSACASA-N 458.338 1.538 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740760143 OBGQQIUVGWOADC-IRLDBZIGSA-N 481.601 1.418 30 10 JDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1740782163 FRSWETSDGNHICD-OALUTQOASA-N 458.588 1.105 30 10 JDEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1740871882 ROLCIGVTBUJNEG-UHFFFAOYSA-N 498.584 1.436 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(OCC(N)=O)CC1 1740953159 XLQMHABWDQERIU-UHFFFAOYSA-N 463.542 1.575 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1740958072 HWOFDAJPLJFRKT-HBMCJLEFSA-N 487.649 1.639 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)C1 1741213459 CZLZCTUQJWMHET-FGTMMUONSA-N 494.618 1.556 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1749008516 AJXKTXGMCGPJBK-IBGZPJMESA-N 470.599 1.582 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1749428144 ZLOGRWAVAVJFTJ-OAHLLOKOSA-N 491.540 1.966 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CN(C)C1=O 1749547030 JHBFHNAZEUHYKO-VGSWGCGISA-N 461.563 1.990 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1749597201 BHPFSURGZZFKFK-DEOSSOPVSA-N 465.558 1.792 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1749653093 VUEYWYIMVHYECO-OAHLLOKOSA-N 491.350 1.618 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1749676520 SXICXQSUODKGDA-UHFFFAOYSA-N 467.574 1.518 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1749732508 XPXAOAMHMCHYIC-SFHVURJKSA-N 490.586 1.130 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCSc2ccccc2)C1 1750211270 HONJCQPRBMCUKY-FXAWDEMLSA-N 480.591 1.845 30 10 JDEE N#Cc1ccnc(N2CCN(c3nnc(-c4ccc[nH]4)n3CC(=O)NCC(F)(F)F)CC2)c1 1750384634 IEKTWRNNPKIZIU-UHFFFAOYSA-N 459.436 1.545 30 10 JDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1760163350 SXYWGFYEBGYGIB-QUCCMNQESA-N 460.604 1.249 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)CCOC 1760218684 LDGWKYMEOALMIP-DEOSSOPVSA-N 451.575 1.703 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ncccc2N(C)C)CC1 1760266261 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N#Cc1ccc(COc2cn(CCCN3CCOCC3)c(CN3CCN(CCO)CC3)cc2=O)cc1 1870349281 HKUSOBGJLLKKOZ-UHFFFAOYSA-N 495.624 1.131 30 10 JDEE C=CCn1c(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc2c(N3CCN(C)CC3)ncnc21 1873648168 MAXONKHQNQNZCF-UHFFFAOYSA-N 459.510 1.847 30 10 JDEE Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1889555837 IWUCKIRUSAUDMR-UHFFFAOYSA-N 451.637 1.236 30 10 JDEE CC(C)N1C(=O)CS[C@H](C(=O)N(C)C2CN(c3nccnc3C#N)C2)[C@H]1c1ccc(C#N)cc1 1891281792 DWDCOEOVTITKCY-YADHBBJMSA-N 475.578 1.961 30 10 JDEE N#Cc1cc(N)c(OC[C@@H](O)CN2C(=O)c3ccccc3C2=O)c(I)c1 1994848365 MBPIZAOPQPJKMC-NSHDSACASA-N 463.231 1.781 30 10 JDEE O=C(COCCOCCOCCNC(=O)O[C@@H]1CCC=CCCC1)ON1C(=O)CCC1=O 2049382246 NUARCXICZJOVQZ-QGZVFWFLSA-N 456.492 1.259 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)OC(C)(C)C 2225621701 FNEMEEGYEFXKAK-QBPKDAKJSA-N 470.567 1.421 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1CO 2267007980 BGLHPOWJRJVLSO-JKSUJKDBSA-N 450.341 1.927 30 10 JDEE Cc1nc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)c(B2OC(C)(C)C(C)(C)O2)s1 2267169020 HJCVDRKSKJAYMO-KBPBESRZSA-N 467.397 1.851 30 10 JDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267374768 WTDNMIAQZGHAAU-CQSZACIVSA-N 470.401 1.349 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCOCCCNC(=O)OC(C)(C)C)n1 2267494316 RJPNHOWCFBKDHK-UHFFFAOYSA-N 452.361 1.381 30 10 JDEE Cc1cc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)oc1B1OC(C)(C)C(C)(C)O1 2267518620 FQANGDQBVZNXGP-GJZGRUSLSA-N 450.341 1.845 30 10 JDEE CC(C)(C)OC(=O)NCCCOCCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267873337 OTXMDHPROBGEQF-UHFFFAOYSA-N 450.345 1.437 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1)C1CS(=O)(=O)C1 2268773489 CBLSSMLFMGUTRL-JKSUJKDBSA-N 470.397 1.761 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@]3(C)C2)n1 2281957461 MIYJTGVMIRMHTD-HOYKHHGWSA-N 451.380 1.708 30 10 JDEE CN(CCOCCN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C(=O)OC(C)(C)C 2281976076 WKQXYYAJNLCIDQ-UHFFFAOYSA-N 466.388 1.675 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 2282190834 SRIMWOVWVRTWOT-MOPGFXCFSA-N 451.380 1.993 30 10 JDEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282500430 KSUFRZAJWJARHU-OAQYLSRUSA-N 488.387 1.679 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCc2cnn(C)c2NC(=O)OC(C)(C)C)n1 2282551323 IWWHQTBBMXRAPO-UHFFFAOYSA-N 460.344 1.730 30 10 JDEE Cc1c(C(=O)NC[C@H]2COCCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282594451 FXAOGNJWKRGTDP-HNNXBMFYSA-N 464.372 1.393 30 10 JDEE CO[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nn(C)c2C)C[C@H]1NC(=O)OC(C)(C)C 2282599169 NXIAHRCMPYOJHF-HUUCEWRRSA-N 464.372 1.392 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)[C@@H](O)C1 2282992080 OPOUBNGKWGSWOY-WMZOPIPTSA-N 462.352 1.792 30 10 JDEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@@H]1[C@H](O)[C@H](O)CN1C(=O)OC(C)(C)C 2284046806 FHCRALNFMUONFA-IXDOHACOSA-N 482.408 1.347 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285186178 MKSYPXCEFKBJRB-MRXNPFEDSA-N 465.331 1.510 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2334275282 KDLSWMGJXFOXAV-IOASZLSFSA-N 468.385 1.005 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)N2CC[C@H]1C2 2368737478 MXIUMMYYSSQNFP-LSDHHAIUSA-N 478.424 1.866 30 10 JDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1cc(F)c(F)cc1B1OC(C)(C)C(C)(C)O1 2379879730 MVAUBEYLOOVNDR-UHFFFAOYSA-N 469.294 1.843 30 10 JDEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)cc1 20806121 PTSTZSGLPDMXFG-UFFVCSGVSA-N 470.471 1.864 30 10 JDEE Cn1c(=O)c2c(nc(N/N=C/c3ccc(F)cc3)n2C[C@@H](O)COc2ccccc2)n(C)c1=O 107362971 CCSBPJMZAKUPQW-YTIGJDNKSA-N 466.473 1.459 30 10 JDEE CC(C)NC(=O)CN1CCN(C(=O)CSc2nnc(N/N=C/c3cccc(Cl)c3)[nH]2)CC1 253571499 PAMWRFMNYWSOLM-SSDVNMTOSA-N 479.010 1.665 30 10 JDEE COc1ccc(C=NNc2nc3c(c(=O)nc(O)n3C)n2C[C@@H](O)COc2ccc(OC)cc2)cc1 254441364 QCEUTKNARCBTSG-MRXNPFEDSA-N 494.508 1.739 30 10 JDEE N#Cc1cccnc1N1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 619105869 ONGVQEDZCCAHPY-UHFFFAOYSA-N 464.345 1.343 30 10 JDEE CC1(C)OB(c2cccc(NS(=O)(=O)CCCN3C(=O)c4ccccc4C3=O)n2)OC1(C)C 704312358 YTWBHFKGNUSVSE-UHFFFAOYSA-N 471.344 1.809 30 10 JDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(Cl)nc1 729672920 OMRHXBWXTYRBAH-UHFFFAOYSA-N 462.922 1.377 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1[C@H](C)c1ccccc1 917794360 FNOSMWZERIBUBO-GOSISDBHSA-N 482.569 1.905 30 10 JDEE N#Cc1ccc(OCc2cccc(C(=O)N[C@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)c2)cc1 1136560953 BUEXDRUOEDWTGR-FCHUYYIVSA-N 455.536 1.365 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1 1137257600 MXWPGVZGNRUKHG-QAPCUYQASA-N 453.561 1.905 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CC)Cc2ccccc2Br)CC1 1223773012 ATIGVWQMLNCEGG-MRXNPFEDSA-N 457.394 1.565 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 1227480228 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C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](SC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300479103 IHZDWKGNADCYQI-CVEARBPZSA-N 455.650 1.821 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCC1(COC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1300491503 HWKITRQTPJNQGZ-MSOLQXFVSA-N 463.604 1.453 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1c(CC)nn(C)c1OC)[C@@H]1CCS(=O)(=O)C1 1300493435 TYQLCLAQVXYROB-QGZVFWFLSA-N 483.598 1.628 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OCCCOC)c2)CC1 1300681404 OEGFRBDEBAVIMN-UHFFFAOYSA-N 466.586 1.733 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCS(=O)(=O)CC)CC1 1300718605 BEGXPBFHUYWZRH-UHFFFAOYSA-N 459.572 1.354 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1300756831 UXBPTZYQUHNZFH-SFHVURJKSA-N 454.556 1.264 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NCCOC)CC1 1300880024 GUIAGIDUNOZHBP-GHTZIAJQSA-N 457.579 1.139 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)NCC)CC1 1301151894 SFXMXMISDVKVAB-KRWDZBQOSA-N 483.639 1.065 30 10 JDEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)CC1)c1ccccc1 1301162778 BNIUDMJHVXIRAN-WMZOPIPTSA-N 467.617 1.483 30 10 JDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1301245152 DQOWYALWURLYRC-QGZVFWFLSA-N 451.535 1.571 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1301515026 PETRWCNYNRDBLU-PKOBYXMFSA-N 458.538 1.455 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1314674011 FCKYDMIOBWPRIP-IBGZPJMESA-N 488.614 1.730 30 10 JDEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1358914188 KVRODSLEUYQMDJ-UHFFFAOYSA-N 464.614 1.962 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1358964650 CVIDSIQDHOOWQH-SJLPKXTDSA-N 458.613 1.895 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1358964984 LMBGEILKOROCMZ-IBGZPJMESA-N 478.018 1.921 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1358985527 AUYNSBFLVQZPDT-JTSKRJEESA-N 460.531 1.570 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)NC(C)C 1358989943 VBJMFMNJZBKSQW-UHFFFAOYSA-N 457.556 1.507 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2[nH]ccc2c1 1359010540 SONSMHGOPHPZDE-FQEVSTJZSA-N 456.572 1.795 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1359202938 FQYAHGMQMQAXDK-MSOLQXFVSA-N 451.593 1.364 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1359294972 KWZLXYDYYZDEGN-UHFFFAOYSA-N 450.499 1.817 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNC(=O)c2cccc(O)c2)C1 1359321369 FKQYHKPMFYFZIT-ICSRJNTNSA-N 489.598 1.487 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H]([C@@H]3CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359335714 SLAJSNPGESKMJF-JQVVWYNYSA-N 468.620 1.782 30 10 JDEE C#CCN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1471882920 XEBPENNIRDSMNJ-UHFFFAOYSA-N 452.552 1.489 30 10 JDEE N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1505319696 HVZMOACKCJJIRY-UHFFFAOYSA-N 456.572 1.869 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2CCC(=O)N(C)C)c1 1507549328 GBJPVNDHFDKPOJ-UHFFFAOYSA-N 477.525 1.540 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1507564807 XDKZZVBSGAHMAM-FQEVSTJZSA-N 492.646 1.396 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1507628131 VALFXSWCCQHARH-GOSISDBHSA-N 459.572 1.497 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1CCCCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1507634584 ZIHBJOGEXKYWMX-GOSISDBHSA-N 456.634 1.777 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)CC 1507701953 QBJXLXSGFNCZNY-QGZVFWFLSA-N 468.576 1.394 30 10 JDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC(=O)N(C)Cc1ccccc1 1507709946 GMFMNCVZHXQBRG-UHFFFAOYSA-N 464.526 1.750 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(C(=O)NCC)CCC1 1507713141 YQLNITCEELHJBP-UHFFFAOYSA-N 463.542 1.986 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCN(C(C)=O)C2)n1 1507716088 GRHOSZOOWYCDIK-FCHUYYIVSA-N 483.617 1.913 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1507844714 OBMRMMBGBSXTBT-DLBZAZTESA-N 451.593 1.268 30 10 JDEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOC)C(=O)C1 1507910810 BQZXEHLSMCLFPJ-UHFFFAOYSA-N 465.562 1.818 30 10 JDEE C=CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CCCS(C)(=O)=O)C1CC1 1507994440 RILKEPMKXRZVLG-UHFFFAOYSA-N 452.606 1.828 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1508081240 VXLZFIZPQOMJRW-INIZCTEOSA-N 456.551 1.873 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(F)cc2)n1CCS(=O)(=O)N1CCSCC1 1508426453 GHQFTGICDJFOHD-MRXNPFEDSA-N 482.607 1.971 30 10 JDEE CC(C)(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1508584077 GZKQEJCOUXYFGB-IBGZPJMESA-N 486.646 1.741 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCOC4)n3C[C@H](CC(C)C)N(C)C)CC2)c1C#N 1511661952 HZPJWJDMVNMDQF-PMACEKPBSA-N 469.638 1.999 30 10 JDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C(C)C)N1CCOCC1 1513977757 CTDSRRWHXXAUDK-VXKWHMMOSA-N 481.601 1.800 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1516824667 GKEHXDWIAZHCDN-FQEVSTJZSA-N 487.630 1.841 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1539013548 IXPPPSFMYWXFGO-CADBVGFASA-N 467.636 1.910 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cn2ccsc2n1)[C@H]1CCS(=O)(=O)C1 1539202123 GDUKYRSHMFLIES-KRWDZBQOSA-N 489.627 1.581 30 10 JDEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1539211658 JVPQZNRDBWZQEY-KRWDZBQOSA-N 475.571 1.067 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1539219713 DRDAEAHHNQBMNU-MOPGFXCFSA-N 492.623 1.194 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1539477553 QPTUHGHLAKZUJK-KRWDZBQOSA-N 482.589 1.956 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCN(C(C)C)C(C)C)CC1 1539489728 WPJXNBLBRHXWAZ-UHFFFAOYSA-N 457.623 1.485 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)c2ccccn2)C1 1540893005 VFNARFHSJUYJFY-OALUTQOASA-N 490.630 1.765 30 10 JDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1=O 1554361197 GJSLNYDIIXEALA-QGZVFWFLSA-N 463.464 1.358 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1N1CCOCC1 1587640866 VSYYYIHJIRTFSD-ICSRJNTNSA-N 457.600 1.831 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1588039603 ARNQLRKJFCUZTF-BZSNNMDCSA-N 479.990 1.672 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1588173734 IGQCWDPRQVBNHI-OALUTQOASA-N 454.554 1.225 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OCC(F)F 1588385188 GBHMQXITLRUIDY-MRXNPFEDSA-N 484.529 1.158 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(-n3ccnc3)c(F)c2)CC1 1588741935 LGGVCDZHGQNGMA-KRWDZBQOSA-N 486.577 1.017 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCn2cnnn2)CC1 1588899888 ZKIYVHFDRLTRDR-UHFFFAOYSA-N 485.499 1.589 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1588923780 LVZARCDIJLVUJL-HBFSDRIKSA-N 455.607 1.315 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(F)(F)F)n2)CC1 1588924054 UXCKACHEVFOGPE-INIZCTEOSA-N 475.475 1.657 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1589069175 IYNNHFZSZNTWMF-JKSUJKDBSA-N 469.633 1.650 30 10 JDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1593721969 IFDVCSOIVCBKRU-UHFFFAOYSA-N 465.558 1.583 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CCS(=O)(=O)CC1 1595075889 NJLYIQWWCRFWJP-LJQANCHMSA-N 489.598 1.370 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(C(C)C)C1 1595217855 DBWHELLAWAJCFJ-VQTJNVASSA-N 466.652 1.910 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@H](C(=O)NC)C1 1595490268 OGPKITWNVSOTAM-KRWDZBQOSA-N 481.582 1.630 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCOC1 1595551087 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C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC(=O)N2CCOCC2)CC1 1705644736 AMDDRDITOUXQDK-UHFFFAOYSA-N 484.988 1.813 30 10 JDEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1705733524 UWAVEWCVPCUHNH-UHFFFAOYSA-N 466.546 1.004 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1705844059 VARRYATZPQIVNQ-HUUCEWRRSA-N 451.515 1.456 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1705908499 CRJBAGCYHLAAIR-WAOWUJCRSA-N 493.616 1.876 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1705931989 HHEBVGRSZHKMGL-QFIPXVFZSA-N 484.626 1.740 30 10 JDEE CC(=O)N1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C#N)o2)CC1 1705977151 MILRIWTXLCTFRZ-UHFFFAOYSA-N 468.539 1.920 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)N1CCSCC1 1722281453 NKKLSVYFMZWGFT-MRXNPFEDSA-N 497.668 1.185 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCCN1c1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1722359317 RPKXWZRZDQJSAC-QZTJIDSGSA-N 459.620 1.605 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722366667 IWVMRECNZLAEKL-HKBOAZHASA-N 479.647 1.503 30 10 JDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(C)n(C)c2=O)CC1 1722438766 AWZPKOSDTSTJBX-UHFFFAOYSA-N 452.509 1.958 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(N(C)C)CCOCC2)CC1 1722440322 CQMZICLXOBQZOB-UHFFFAOYSA-N 494.600 1.002 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCC(=O)N(C)C)CC1 1722443421 IIRNMVNKYZHELD-UHFFFAOYSA-N 498.584 1.415 30 10 JDEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722521425 KWVWJJMSUGRWBI-UHFFFAOYSA-N 454.531 1.466 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C1CCC1 1722628977 DWCJDXCTJJIDDX-RTBURBONSA-N 453.609 1.973 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1722689919 BUZURXVGPJRMQI-HOCLYGCPSA-N 450.540 1.324 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(Cl)c(F)c1 1722692034 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C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](COC(C)C)C1 1740953289 APAAISKPCUUBSY-OAHLLOKOSA-N 467.368 1.968 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(OCCOC)CC1 1740959274 PWEDAELIGCMWMR-UHFFFAOYSA-N 467.530 1.528 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCNS(=O)(=O)CC)C1 1740984652 HBPPGLXWBGGOPX-KZNAEPCWSA-N 455.625 1.917 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2CCCC[C@H]2C1 1740988047 RRIGVMIPDCXAAJ-IBGZPJMESA-N 493.655 1.624 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1740992708 LYMKXLFMESNVGW-MRXNPFEDSA-N 451.980 1.825 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740993938 KLKBVCKSQGHWLG-INIZCTEOSA-N 489.019 1.735 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1748812159 RCEGALKADQXOAB-HXUWFJFHSA-N 468.583 1.865 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(C)cc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1748814454 GLUDVKLBKJKRGB-ICSRJNTNSA-N 455.584 1.829 30 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JDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCc4c3cnn4CCO)CC2)cc1 1138017356 HMYIXTRVDUHNTB-HXUWFJFHSA-N 457.556 1.342 30 10 JDEE C=CCC1(O)CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2I)C1 1154866625 MYGDSDORCARRSZ-UHFFFAOYSA-N 450.298 1.305 30 10 JDEE CNS(=O)(=O)c1cc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)ccc1F 1157605764 BKAIRVZAGXNWSY-LLVKDONJSA-N 454.505 1.190 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1NC(=O)CC1(C)C 1286296258 NPVGVMIJMCZAMD-ULQDDVLXSA-N 460.579 1.959 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1286323989 NBXXIVZAMQRROV-AVRDEDQJSA-N 481.619 1.189 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1286348883 ATLIEJHZFYUYSU-DENIHFKCSA-N 477.562 1.261 30 10 JDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)cc1 1286376706 NIGANAGOVDNEAB-GOSISDBHSA-N 454.531 1.803 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(=O)Nc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1286379906 DUIYPYJAWIXWKF-IBGZPJMESA-N 498.609 1.396 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1286387533 GDRMKPZVYDBRJD-HNNXBMFYSA-N 475.962 1.411 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1286391402 IARBCGAUMFPDCN-IBGZPJMESA-N 471.583 1.393 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(C)(=O)=O 1286523356 SXBWPPPGQKJEIX-HRAATJIYSA-N 467.592 1.623 30 10 JDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCCN(CC)C(=O)C1 1286538141 JOSLEARILVUTLR-UHFFFAOYSA-N 451.325 1.973 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1286794870 BEFXIBHPUDRNTL-JCGIZDLHSA-N 477.543 1.616 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1286815580 BDWOPMOMGWYSOX-HSZRJFAPSA-N 475.615 1.856 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2[C@@H]2C[C@H]2CF)c1 1300334271 JQXYBQCRBWRLCS-UHOSZYNNSA-N 490.561 1.198 30 10 JDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1300421273 AZNORSHDEFNKRL-IBGZPJMESA-N 455.607 1.383 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1300707152 WGLZILXLDKDQSS-UHFFFAOYSA-N 451.575 1.776 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H](OC)C(C)C)CC1 1300721902 CNFFOBYLORGORR-OAQYLSRUSA-N 491.596 1.829 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1300733774 NQJNSOFRNQNHRK-QZTJIDSGSA-N 496.703 1.730 30 10 JDEE C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1300928924 RJYKTMUSCQMFEH-MRXNPFEDSA-N 484.536 1.600 30 10 JDEE C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1301445490 WJOJCBIIJRCLGM-QGZVFWFLSA-N 463.560 1.737 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1301475465 RSIATSBUQQEBFR-SFHVURJKSA-N 467.574 1.365 30 10 JDEE CC[C@H](C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)OC 1305344135 CMNARBBAYVENPB-REWPJTCUSA-N 495.628 1.859 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC(C)(C)O 1305780855 FRISSXLJNYMMJX-UHFFFAOYSA-N 454.579 1.951 30 10 JDEE CN(C)C(=O)CCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C#N)CC1 1314633871 DOVXSRPZMDEJER-UHFFFAOYSA-N 458.592 1.847 30 10 JDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1316125086 FNHLILXLCPQILI-LJQANCHMSA-N 458.588 1.410 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ncnn1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358955256 IRADMLLQMYFYFU-SFHVURJKSA-N 453.572 1.831 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1Cc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 1358957322 SPCGNUDESFNTSS-SXLOBPIMSA-N 474.583 1.633 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCCC)nc1)[C@@H]1CCS(=O)(=O)C1 1358962058 JPQZSKMOBRBTEY-MSOLQXFVSA-N 472.571 1.088 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1358964876 JDAYLWYUGSHKOQ-MOPGFXCFSA-N 450.536 1.296 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1358967147 FDYFSKGGQNKLSZ-FDDCHVKYSA-N 490.582 1.298 30 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1.722 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1359300426 BFJOZZMFWISFPX-FQEVSTJZSA-N 486.642 1.583 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1359301272 VUCCJYMLCLAELF-KBPBESRZSA-N 465.498 1.030 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C(F)(F)F)C1 1359334655 MZUXZYNRBYTLFT-HNNXBMFYSA-N 462.498 1.508 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H]1CCOC1 1360703974 DYHRZJFNFJHTJI-RDJZCZTQSA-N 477.566 1.262 30 10 JDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 1443914740 GPNPOFYJNVFLGV-CQSZACIVSA-N 455.499 1.971 30 10 JDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1471522338 WTFFMMIEQOUTJF-OAHLLOKOSA-N 450.536 1.193 30 10 JDEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)F)ccc1OC(C)C 1504078285 GEMLXGHVZKYBMH-OAHLLOKOSA-N 464.473 1.851 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(CC)(CC)OC)[C@H]1CCS(=O)(=O)C1 1507621521 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C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1508090289 GSOFZJNIOAJJCR-IFMALSPDSA-N 468.602 1.933 30 10 JDEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1515482750 BCPNSGNPGMJPDC-AREMUKBSSA-N 494.644 1.264 30 10 JDEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCS(=O)(=O)CC2CC2)CCOC1 1516193603 FCOFZZUFHPQFEV-LEWJYISDSA-N 451.593 1.885 30 10 JDEE COc1cc(C#N)ccc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1529316779 APCQLQCOZWBHAY-UHFFFAOYSA-N 456.480 1.044 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)CN1CCN(CC)CC1 1539002353 SFKQGULNZJYMNZ-UXHICEINSA-N 486.690 1.970 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCCS(C)(=O)=O)c1 1539043910 WIPWPHZPWVTZJF-SFHVURJKSA-N 459.572 1.663 30 10 JDEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1539082266 PGRVQSNCQVQEJA-UHFFFAOYSA-N 483.964 1.649 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccccc1OCC=C)[C@@H]1CCS(=O)(=O)C1 1539200272 FDGJXHBLEIPGTQ-LJQANCHMSA-N 471.583 1.656 30 10 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C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@@]2(O)CCN(C)C2)c1 1740564846 ZLXFHHNGXYZYPS-RUZDIDTESA-N 459.554 1.387 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCOCC2)C1 1740574325 KJAWRHYSDSNPAU-GOSISDBHSA-N 451.593 1.421 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2F)CC1 1740589914 CMQQTIUCGWEKRU-HXUWFJFHSA-N 476.578 1.490 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1cccc(OC)c1 1740610471 BNVRFNSHNQABIV-IBGZPJMESA-N 463.560 1.158 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccc(F)c1)N(C)C 1740671637 LGXVRYCKWCCIOS-VQTJNVASSA-N 478.594 1.513 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nnc2n1CCCCC2 1740725695 TVEUXIQNUQIOGY-HRAATJIYSA-N 460.608 1.441 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1740876196 FDKKFRUTGKWJHF-QUCCMNQESA-N 482.651 1.267 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1740953442 GMHQYOQWPFHLEK-IRXDYDNUSA-N 479.379 1.733 30 10 JDEE 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C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1749642606 VNDGOQQSYDVWBE-UHFFFAOYSA-N 472.937 1.163 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1749659993 LMLJZPLZFJYSJX-UHFFFAOYSA-N 492.584 1.636 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749661094 XZKXDLQCXYSNLX-INIZCTEOSA-N 469.571 1.266 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)NC)CC1 1749727253 RDZBWYJGUSCAQV-UHFFFAOYSA-N 452.968 1.557 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCN(C)C1 1749830126 DTDLOQQGWPZTAL-CYFREDJKSA-N 491.637 1.826 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)C[C@H]1C 1749898177 BMRFHDWTYYUDJI-RTWAWAEBSA-N 483.617 1.606 30 10 JDEE CC1(C)CN(CCn2c(-c3cccc(C#N)c3)nnc2N(CCS(C)(=O)=O)C2CC2)CCO1 1751300046 BFFJTEKOROZTPY-UHFFFAOYSA-N 472.615 1.941 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(C(=O)NCCC)c1)[C@@H]1CCS(=O)(=O)C1 1760186195 BKNJHKGAVVDLTG-LEWJYISDSA-N 485.610 1.597 30 10 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30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1540864728 JDNZIGJDBDEPIP-AOMKIAJQSA-N 456.503 1.930 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC(C)(OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540908473 HGGDAEDUQBNEFR-IYBDPMFKSA-N 469.608 1.875 30 10 JDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)C1 1540911176 UKWVBOAVCLDQIN-UHFFFAOYSA-N 450.590 1.051 30 10 JDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(OCCN(C)C)c2)CCOC1 1547918424 FEOBMRQHSZTAMB-URXFXBBRSA-N 470.574 1.648 30 10 JDEE CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)CC1 1555808561 BNKFLUOOMFEICY-UHFFFAOYSA-N 492.627 1.113 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CN(CC)CC)c1 1587988778 BFOUITQDZQBZCS-OAQYLSRUSA-N 474.631 1.571 30 10 JDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNS(=O)(=O)c1ccc(C)s1 1588024902 PMQVKBKCAPRTJL-RDJZCZTQSA-N 453.590 1.420 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1588064438 IDTMIOOWSHOBEQ-UGKGYDQZSA-N 471.608 1.860 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCOCC1 1588550505 TXNWSVCBMQEXQF-IBGZPJMESA-N 489.573 1.208 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCNS(C)(=O)=O)CC1 1588876611 DBYYLCMDRSYWMX-SFHVURJKSA-N 495.650 1.045 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)NC(C)C)CC1 1588947497 QMZRKFGQCIRZPR-UHFFFAOYSA-N 454.550 1.889 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1589059767 JTEXQBXADPLGFW-IEBWSBKVSA-N 473.647 1.165 30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCS(=O)(=O)N(C)C)CC1 1594036132 PSSYSJJTPJLJKH-UHFFFAOYSA-N 482.632 1.243 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1595577524 VUQRAVUYDXWQAF-HNNXBMFYSA-N 471.587 1.067 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCOC2)C1 1595648780 IIKFEUSKRVFSOG-VGSWGCGISA-N 477.587 1.497 30 10 JDEE COc1cccc(-c2nnnn2[C@@H]2CO[C@@H]3[C@H](NC(=S)Nc4cccc(C#N)c4)CO[C@@H]32)c1 1616127278 FWMBBODHWVGHBT-UAFMIMERSA-N 463.523 1.914 30 10 JDEE C#C[C@H](NC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)C1CCOCC1 1645987672 RSOFNWMHNPYJQI-IBGZPJMESA-N 450.557 1.841 30 10 JDEE C#CCOCCN(C)C(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1649063834 WCEUKXPZIVATQT-UHFFFAOYSA-N 456.337 1.857 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)CC1 1657747390 LHEYVGLRQQCQIL-UHFFFAOYSA-N 455.559 1.353 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 1675648072 IQQMFGGGGSBXKF-UHFFFAOYSA-N 456.450 1.508 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(CC(F)(F)F)CC1 1689853486 UMBRDDUHNZZOAA-WBVHZDCISA-N 492.568 1.343 30 10 JDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1689936758 CFOBGHWMPQNCGF-NRFANRHFSA-N 452.607 1.686 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1689983886 IIHGNYAAQIRKDR-JXFKEZNVSA-N 465.963 1.426 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn(C)nc1-c1ccccc1 1690033405 WSDNTASYTMSPLZ-SFHVURJKSA-N 465.583 1.800 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3F)n2C[C@]2(O)CCOC2)n1 1690109256 MAPXYIXIORWDNV-HSZRJFAPSA-N 454.506 1.718 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1690375737 SFSIVFQGCYNEGU-CGKQSPDFSA-N 493.655 1.694 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC1 1690572281 YBBOJVQGWKOJCO-PXNSSMCTSA-N 479.578 1.979 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1690670995 NBSMXRUZISCLKH-JKSUJKDBSA-N 478.644 1.885 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)CCO1 1690955668 BBTZKYICWRYUQH-GTJUCTONSA-N 456.572 1.459 30 10 JDEE CCC(CC)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)N(C)C 1694287708 BWJCSXJJKKMVRN-LEWJYISDSA-N 496.664 1.836 30 10 JDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(NC(=O)COC)CC1 1705511931 KGTIVGNLHJYTMD-UHFFFAOYSA-N 463.546 1.456 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1c(CC)nn(C)c1CC)[C@H]1CCS(=O)(=O)C1 1705564727 PMYYDYDQUKGVNP-KRWDZBQOSA-N 469.615 1.817 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705564828 CYJVUEQYOBKCAP-IAGOWNOFSA-N 489.602 1.523 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C=C)cc1 1705582974 NVLJPYAAUCXNSR-OAQYLSRUSA-N 453.568 1.570 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCOC[C@H]1OC 1705584929 DLOWXSRCTQWWTH-UKILVPOCSA-N 476.625 1.767 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1705604152 GZQPSGJDAITZJZ-FPOVZHCZSA-N 474.631 1.639 30 10 JDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC[C@H](C(F)F)N1CCOCC1 1705611423 CQSUVCAESWMEND-MRXNPFEDSA-N 450.490 1.821 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC(F)(F)CO1 1705622953 ATLLOHSICAQPPA-QGZVFWFLSA-N 483.541 1.706 30 10 JDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1705725935 ZJPIMRPQRBUZGB-QGZVFWFLSA-N 484.623 1.681 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](CCN2CCCC2=O)c2ccccc21 1705894751 JUUHNBHRQYJZGC-GOSISDBHSA-N 479.585 1.966 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705897517 NNZVZGFOPJEEHW-ROUUACIJSA-N 461.588 1.960 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C(=O)OC)C1 1705931269 KXFHGTZSIDSDSZ-CYBMUJFWSA-N 486.392 1.646 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)NCCC)CC1 1705936548 SVPKNSXMONGPLG-SFHVURJKSA-N 453.609 1.863 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2CCS(=O)(=O)CC2)cc1 1712880269 COKIDEDXDYGLRQ-LJQANCHMSA-N 456.528 1.282 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722360015 BZZFMGBAOYPHQA-IBGZPJMESA-N 458.588 1.078 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1722364757 MMIWKKMQXROHLB-DPLHUUCSSA-N 493.674 1.677 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1722366687 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XSWPKMSULSZJHW-VQTJNVASSA-N 473.599 1.970 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1722732413 YUYJXGLTZXBXHX-SFHVURJKSA-N 465.551 1.118 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)CC1 1722739283 UKQPZKQQQIVOCY-CQSZACIVSA-N 451.565 1.766 30 10 JDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1729203196 BIRNCFFPGRCYKS-GOSISDBHSA-N 472.615 1.941 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1oc2ccccc2c1OC)[C@@H]1CCS(=O)(=O)C1 1740615718 JPRQHVPTWAGJKY-MRXNPFEDSA-N 485.566 1.846 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1740617297 PDBFVMWQDDPQIQ-HOTGVXAUSA-N 463.535 1.272 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740618608 ACCAGLUCNLYRMV-CYBMUJFWSA-N 490.895 1.299 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740621878 PRUYUWCMUACRNY-FPOVZHCZSA-N 473.647 1.817 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(CN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 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CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1696628344 BJHPKABVNUCLKU-FUHWJXTLSA-N 463.585 1.265 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1705558741 GUQYNMNBEPQVBP-IBGZPJMESA-N 486.598 1.371 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1705568822 VTMFJFUICKDARJ-JPYJTQIMSA-N 471.583 1.271 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1705570956 VUIWLTDVKDPGPD-FQEVSTJZSA-N 465.583 1.788 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C)cc2OC)CC1 1705644079 GKFCUJXBUMVKRY-UHFFFAOYSA-N 452.559 1.747 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)CN2CCOCC2)CC1 1705649815 FVSFUFZWMFZFGO-SFHVURJKSA-N 485.658 1.568 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2csc(COC)n2)CC1 1705650005 KWHDMFVGRPUPNK-UHFFFAOYSA-N 465.583 1.881 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1705661867 KPUWHHMIDOIQJY-MRXNPFEDSA-N 487.607 1.279 30 10 JDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705725679 MWOAVVWOPZZNNO-SJORKVTESA-N 484.623 1.681 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCOC1 1705864803 NBUCVBBRUKLRKD-DYESRHJHSA-N 450.536 1.663 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705906689 MCEMKTWXJXTAEK-HSZRJFAPSA-N 485.520 1.113 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@@](O)(c3cccc(F)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705908429 PHXRKCZTPYNXOP-BJKOFHAPSA-N 473.549 1.858 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(S(C)(=O)=O)CC2)C1 1705920275 ULZYKOVOAIFUER-KRWDZBQOSA-N 480.612 1.707 30 10 JDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](COC)C1 1705943953 PBXNVVIACQWGMF-MRXNPFEDSA-N 456.572 1.963 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1710898497 DQGGOJWPPOBFBY-IBGZPJMESA-N 488.614 1.778 30 10 JDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C2CC2)C1 1712428122 DNXSELJZBNDOEV-HXUWFJFHSA-N 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C#CCN(c1nnc([C@H]2CCCOC2)n1CCCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740626180 KBYWUHYDBSWTDO-DLBZAZTESA-N 477.553 1.683 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)CCOC 1740632341 IFABCNNHJQULND-QFIPXVFZSA-N 458.588 1.407 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)C(=O)NCC 1740637179 SOCCFUFFABFDEP-UHFFFAOYSA-N 455.588 1.473 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](OC)c1ccc(F)cc1 1740685130 BHAKWHFWRZHXFX-PKOBYXMFSA-N 450.536 1.793 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2Cc2cnnn2C)CC1 1740690712 LQIREUDZRHDWLV-SFHVURJKSA-N 450.547 1.749 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCS(=O)(=O)CC2CC2)CC1 1740691987 FRIDHBWOUMVJFG-UHFFFAOYSA-N 473.599 1.542 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(C)CN(C3CC3)C2=O)CC1 1740700751 GTDQPEOGVOPUQF-RUZDIDTESA-N 483.617 1.173 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2nnn(C)n2)CC1 1740701790 PYGSSZNACPQTLJ-UHFFFAOYSA-N 469.937 1.145 30 10 JDEE 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1.364 30 10 JDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359228575 HBZRLEYFLWXMTP-REWPJTCUSA-N 467.618 1.845 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncc(CC)s1)C1CC1 1359251890 YFYVCXILKXCDGG-INIZCTEOSA-N 452.606 1.833 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1359334505 IGWGGHJRRXUTGB-SFHVURJKSA-N 462.601 1.633 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCn1cccn1 1360699799 HWNCKCVVBBKJNQ-IBGZPJMESA-N 497.629 1.763 30 10 JDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)C1 1505123489 HRJKIJCMAHAHOC-MSOLQXFVSA-N 463.585 1.407 30 10 JDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1507579678 DLRJBRTYWJUCLW-IBGZPJMESA-N 489.598 1.964 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1nc(C(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1507622856 NTWSRFRKIGGCEN-HNNXBMFYSA-N 478.644 1.845 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507646567 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C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2nccc(C(F)(F)F)n2)CC1 1705647789 KGUFATKRTVCBQO-MRXNPFEDSA-N 477.491 1.799 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(c2nccs2)CC1 1705725674 MTLIHWCHGVFGCK-INIZCTEOSA-N 467.621 1.360 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1705898794 XYXWCFBMLWXYGZ-BBRMVZONSA-N 477.451 1.379 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1705906753 NRKSGPQNSLPPQW-UXHICEINSA-N 457.531 1.552 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1705929766 XEIZCYDCOIRLTG-NQIIRXRSSA-N 482.990 1.841 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1705931385 OEQFWAVMCKGMKA-RTBURBONSA-N 454.556 1.665 30 10 JDEE CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 1710265703 GKOVTQFPDHZZJH-KNQAVFIVSA-N 464.618 1.805 30 10 JDEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1710969306 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1.749 30 10 JDEE C=CCOc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)OCCOC)cc1Br 14669319 QWWOLJCSTLEMFT-HNNXBMFYSA-N 455.305 1.534 30 10 JDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCCN2CCCS2(=O)=O)cc1 726073560 ISJWHUFVFJOPFM-FXBPSFAMSA-N 457.578 1.047 30 10 JDEE C#CCN(C(=O)c1ccc(OCC(=O)N2CCCCC2)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 729331784 OTUHFXFLDWLGFO-LJQANCHMSA-N 462.568 1.739 30 10 JDEE O=[N+]([O-])c1ccc(NN=Cc2ccc3c(c2)OCO3)c(S(=O)(=O)N2CCN(CCO)CC2)c1 1084402875 JCWOJCJHFHZXRR-UHFFFAOYSA-N 477.499 1.068 30 10 JDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2cc(S(N)(=O)=O)ccc2F)n1 1136554055 DKIUQFAEKVLDBF-UHFFFAOYSA-N 454.534 1.839 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2nnc3n2CCC3)c1 1286310525 ZJBADDRFHFMLRB-UHFFFAOYSA-N 461.530 1.059 30 10 JDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1286312463 VXUIDYSVVPNGGZ-OAQYLSRUSA-N 459.639 1.451 30 10 JDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCN(c2ccccc2)CC1 1286361571 RDWHWHWOMMHQSV-IBGZPJMESA-N 459.620 1.170 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1286389145 GHBFFXLDCOAWFQ-SFHVURJKSA-N 460.629 1.324 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 1286398218 WMXHRAFBROMFRQ-IBGZPJMESA-N 471.583 1.474 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CCCCC1 1286410747 WBBKLTJJWRTIKB-FQEVSTJZSA-N 459.616 1.288 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(C(C)=O)CC1 1286455570 WNIJSWZJTWPANO-QGZVFWFLSA-N 490.605 1.926 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)cc2)CC1 1286491927 BPUHCQRQKXMPSY-GOSISDBHSA-N 476.002 1.848 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCCC[C@H]2C)CC1 1286493799 XHLIKSFGFNJUEQ-HXUWFJFHSA-N 469.634 1.631 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1286503760 FCOULORREBDDAU-SFHVURJKSA-N 492.602 1.246 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn2ccsc2n1 1286581855 OJIXFAWYOZPGSA-MRXNPFEDSA-N 465.605 1.771 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(SC)CCOCC2)CC1 1286646428 QSPFKAGFVYSSNN-KRWDZBQOSA-N 471.649 1.680 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1286760870 ROQGBYBXWRPVBE-JOCHJYFZSA-N 461.588 1.201 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1286784243 BNPHGYKHRWRWSX-FQEVSTJZSA-N 465.602 1.689 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(CS(C)(=O)=O)c2)C1 1286810717 VBBSLTQZKLJCEE-UXHICEINSA-N 494.639 1.554 30 10 JDEE CC(=O)N1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCCS(C)(=O)=O)C1 1286861435 WGLCESSXOUWHOV-IBGZPJMESA-N 458.588 1.946 30 10 JDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CCN1C[C@H](C)O[C@H](C)C1 1297407337 AYEQXOWTGCYEJX-SCTDSRPQSA-N 450.605 1.707 30 10 JDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1297992687 HDJFMBLOFRALNQ-UXHICEINSA-N 454.531 1.591 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H](OC)C2CC2)c1 1300336329 CXAMLZULOHSBGD-HXUWFJFHSA-N 450.543 1.882 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1300364493 KWWLEZIBKUVOPT-MQFAKOPTSA-N 493.655 1.788 30 10 JDEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1300484098 RBVXTOOLNMPXTG-OAHLLOKOSA-N 477.493 1.699 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCCOC)[C@H]1CCS(=O)(=O)C1 1300494113 YVDUUYJIPVDJJA-SFHVURJKSA-N 498.609 1.635 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1300501364 KNQBTRDEAVSCTF-IBGZPJMESA-N 471.583 1.496 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1300504951 WMTXBEGMVWIXAV-SFHVURJKSA-N 470.555 1.458 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(N(C)C)CCOCC1 1300527092 BJBAKFMTDQQLDN-UHFFFAOYSA-N 459.554 1.376 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCN(C(=O)OC)CC1 1300569858 URAVESJSIKRGTA-UHFFFAOYSA-N 473.541 1.862 30 10 JDEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1300741540 ZHCRYXXODPDZQO-UHFFFAOYSA-N 494.463 1.623 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)OC(C)(C)C1 1300886614 ZKIJUTKVCCYZCT-MKXGPGLRSA-N 483.635 1.596 30 10 JDEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1301000818 YYODFAGKKFGHKW-GOSISDBHSA-N 470.599 1.619 30 10 JDEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2(O)CCN(C)C2)CC1 1301112432 WKEZELDAJJWCMP-QHCPKHFHSA-N 474.631 1.664 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1301475768 XVAOGSMFVJCMKI-INIZCTEOSA-N 461.567 1.262 30 10 JDEE CC(C)N(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1303264004 ACQLKMIITCCKAW-HXUWFJFHSA-N 486.646 1.504 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@](C)(O)c1ccco1 1303806146 CMZNEEZQWNONRO-YCRPNKLZSA-N 458.544 1.897 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CSCCS2)C1 1303939204 AYISNWITGNLNOR-JTDSTZFVSA-N 486.689 1.590 30 10 JDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C[C@]2(CCCOC2)O1 1305153529 DAPICJRKDRYORL-IERDGZPVSA-N 460.560 1.140 30 10 JDEE CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCS1 1314705189 CORDAZUQCHMWJV-LJQANCHMSA-N 456.572 1.919 30 10 JDEE CNC(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1315023270 BMHBJCJNYXAEHI-UHFFFAOYSA-N 475.500 1.463 30 10 JDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)(C)C)CC1 1315071191 CZLCPWQWVQNFKT-UHFFFAOYSA-N 461.592 1.198 30 10 JDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CN(CC(C)C)CCO2)cc1 1315535106 AAYYPBUSSGVESX-YADHBBJMSA-N 470.574 1.951 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCCN2CCC(O)CC2)c1 1358902255 IRHGRNQMRDRFBT-UHFFFAOYSA-N 474.569 1.638 30 10 JDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1358946159 KZYNAFKUMMUCKN-UHFFFAOYSA-N 454.556 1.712 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(COCC)cc1)[C@H]1CCS(=O)(=O)C1 1358961690 DCGGCHGRCRYMGJ-PMACEKPBSA-N 471.583 1.441 30 10 JDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1COCCO1 1358996608 LCRUEEKGXYMUPN-DEOSSOPVSA-N 462.598 1.521 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)C(C)(C)C 1359020066 QDCYYNVKNKOIPE-UHFFFAOYSA-N 482.628 1.648 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)C(=O)NC)CC1 1359042615 NMOGEYGWJHUDTB-UHFFFAOYSA-N 482.585 1.700 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)[C@@H](C)CCC)CC1 1359044306 BULAMYNOPYKVSU-AZUAARDMSA-N 458.607 1.690 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1359057139 SYCPKWAYTKMXJB-GOSISDBHSA-N 493.680 1.961 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)C)CC1 1359100115 XIJOYXCKSZJKGH-UFYCRDLUSA-N 482.651 1.123 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)COC)CC1 1359103820 TYEBIGPFFIMODS-LAUBAEHRSA-N 488.614 1.546 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H](OC)C(F)(F)F)CC1 1359179391 UKWGNCWNPGMSBU-HOTGVXAUSA-N 481.541 1.981 30 10 JDEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359207588 PBLIVHWJVSIPTP-HKUYNNGSSA-N 460.579 1.286 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1359295684 KYBKQVKTGNHKKG-UHFFFAOYSA-N 486.964 1.752 30 10 JDEE COCc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)ccc1F 1504636430 AOXWTMAKXPMDGS-MGPUTAFESA-N 451.499 1.956 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCS1 1504887687 DBVYQAUDYFGDGY-QFBILLFUSA-N 472.637 1.263 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1OCC(C)C)[C@H]1CCS(=O)(=O)C1 1507631354 CUQSVWXOYRFZKO-VQTJNVASSA-N 485.610 1.939 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccn(C)n1 1507671633 NEFYOWPPDQTYFU-IBGZPJMESA-N 453.547 1.831 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc([C@@H](C)OC)n1 1507689739 MLYIZWSWBUUXSB-ZBFHGGJFSA-N 468.605 1.283 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCOC)CC1 1507734723 VCHSLKVGESTXAM-UHFFFAOYSA-N 459.572 1.351 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCOCC(F)(F)C(F)F)CC1 1507738035 IHOBUPAHQOKQNN-UHFFFAOYSA-N 469.443 1.618 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)COC)CC1 1507805882 DVMXVFBVFBHXKL-ZFMNYDKASA-N 463.579 1.278 30 10 JDEE C=C(Cl)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507864159 RVMCKKIFWJOVRR-UHFFFAOYSA-N 484.948 1.520 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1507884926 NUYSRRSJENVZLH-VQTJNVASSA-N 466.652 1.888 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)(F)F)CC1 1507917236 ZLKFBXNWJPTAAJ-INIZCTEOSA-N 494.584 1.898 30 10 JDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1S(=O)(=O)N(C)C)C1CC1 1507992857 JZDZDOKRYAGWPQ-KRWDZBQOSA-N 479.628 1.634 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(OC(F)F)c1)C1CC1 1507993520 RPYHSODCVJHTMS-INIZCTEOSA-N 484.529 1.811 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(O)c1 1508018264 BHFJXYDNMJEDNA-IBGZPJMESA-N 463.560 1.552 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1508058538 BZWLUIJYHDUPSA-CABCVRRESA-N 489.524 1.854 30 10 JDEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1508070600 CIVLWADUNLMMTD-UHFFFAOYSA-N 487.586 1.605 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1508131669 OQGQKERWLKGOJC-SFHVURJKSA-N 488.614 1.805 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](n2cncn2)C1 1508138041 VAFWTTYHRAEXHL-QGZVFWFLSA-N 457.560 1.988 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1508140119 GKMOVEDBTYTAOY-HZPDHXFCSA-N 464.617 1.979 30 10 JDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1519109619 FGKUWKBTXDKRNC-JOCHJYFZSA-N 453.591 1.696 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539200930 SWPZTKKMHNFQJA-NRFANRHFSA-N 484.626 1.273 30 10 JDEE C#CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1 1539219898 OHNZGZRWFDTUPK-QZTJIDSGSA-N 481.619 1.869 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)c(Br)c2)CC1 1539459830 PJUXWJGYKNBKNM-UHFFFAOYSA-N 487.402 1.975 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCCOC)CC1 1539606849 RFDNELHDWZUIAT-UHFFFAOYSA-N 469.384 1.288 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C(=O)OC)CC1 1540900211 OFRNQJUJCASTRJ-UHFFFAOYSA-N 478.571 1.953 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1540902946 USESPUSXKCVCHX-KRWDZBQOSA-N 480.541 1.435 30 10 JDEE CC(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C)N1CCOCC1 1541310280 DIGQFXUFUGUWBS-DENIHFKCSA-N 481.601 1.752 30 10 JDEE C[C@@H]1CCCN([C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)C1 1544066053 BDAHLXCNZVHLHD-GGPKGHCWSA-N 479.651 1.471 30 10 JDEE CCN(CC)CCN(C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)[C@@H]1CCS(=O)(=O)C1 1545876562 DIVBMLRWCDCOQA-RBUKOAKNSA-N 450.580 1.881 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(SC)CCN(C)CC2)CCO1 1554443517 GFTQYGWTSKNYGK-IBGZPJMESA-N 469.615 1.595 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N2CCOCC2)CCCCC1 1587641086 XFVKEHPSRQAGGH-VQTJNVASSA-N 494.662 1.104 30 10 JDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1587884102 QFBVGKYWOZUADO-JOCHJYFZSA-N 461.570 1.885 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCS(=O)(=O)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1588058932 FQQBWGZTZCWYNG-FQEVSTJZSA-N 478.640 1.718 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(Cl)cn1 1588181431 UEEKRUXHBBOTIQ-HNNXBMFYSA-N 450.952 1.479 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1588864227 AMXCTRAHKIEAAI-DEOSSOPVSA-N 451.550 1.942 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1589481876 DFZZJAUKKQDALV-UYAOXDASSA-N 481.605 1.638 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1593884074 BHRXDMAFLYJHHV-CABCVRRESA-N 489.023 1.706 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1595570035 VCJDVAOMMGQMFT-SFHVURJKSA-N 458.950 1.934 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1595788523 BOJSGYWKKKWCIV-XMSQKQJNSA-N 459.572 1.582 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1595811881 FLVZPIVIBXRMOA-UHFFFAOYSA-N 461.592 1.265 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1595812375 RAQABNWLELJYFR-LJQANCHMSA-N 485.614 1.422 30 10 JDEE CCCN1CCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1614889655 HDUIJFQERQPNKO-NNMXDRDESA-N 479.651 1.615 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC2)CC1 1617624603 FEOHEUXAVZIREK-UHFFFAOYSA-N 466.590 1.035 30 10 JDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(Br)cn2)CC1=O 1618479655 HWOPHQRENWFOSL-UHFFFAOYSA-N 455.320 1.754 30 10 JDEE Cn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)C(C)(C)C)c2ccccc2c1=O 1618488004 GLVBJHYNPHUWHK-OAHLLOKOSA-N 464.530 1.083 30 10 JDEE COCCN(C)CCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1619874700 CGIOGLQEMXRRCN-NRFANRHFSA-N 453.591 1.949 30 10 JDEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCC(F)(F)F)CCO1 1620354880 DJLIRDAKTLJZAU-GJZGRUSLSA-N 486.476 1.293 30 10 JDEE Cc1ccc([C@H](CN2CCOCC2)NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 1623504672 DODGWDNYSADZHX-AVRDEDQJSA-N 456.568 1.723 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3c(c2)OCCN(C(=O)OC(C)(C)C)C3)C1=O 1648577489 IWTLUSWPMOPUCG-UHFFFAOYSA-N 458.471 1.731 30 10 JDEE C#Cc1cccc(NC(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)c1 1666473480 RQALKLDEYMARHX-UHFFFAOYSA-N 455.540 1.438 30 10 JDEE C#C[C@H]1COCCN1C(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1679144680 WVGHBLGUASJSPJ-KRWDZBQOSA-N 451.545 1.148 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1689930432 RHBJAIRTMMFBSO-OAQYLSRUSA-N 489.646 1.754 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCNC(=O)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1689989831 JBXQHSBNXZEJQB-SFTDATJTSA-N 485.610 1.537 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1689993602 HVJJNVOYGDTGMC-HXUWFJFHSA-N 453.572 1.555 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nccc(C(F)F)n2)CC1 1690135165 PSPDVMFKOLPWNS-UHFFFAOYSA-N 472.500 1.256 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)CC)C1 1690485153 MKUVTIYDRTUEHR-DLBZAZTESA-N 454.597 1.072 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C(=O)OC)C2)cc1 1690679236 OJKZYHMKTCEKJA-RDJZCZTQSA-N 463.560 1.501 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(F)c1 1690723753 AFABDNCWKWMISA-OAHLLOKOSA-N 474.555 1.696 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCOC2(CCOCC2)C1 1690729803 RZPFJKCCTOAHDB-UHFFFAOYSA-N 480.562 1.983 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1705544899 HYGMJXXMZWRJHP-JOCHJYFZSA-N 456.572 1.276 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)NCCc2ccccc2)CC1 1705649094 KCLAAKGVMWGRAB-UHFFFAOYSA-N 474.569 1.003 30 10 JDEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1705659008 IVAAPEIISPHVHA-UHFFFAOYSA-N 495.609 1.336 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705805705 MKPPULDMNONCSI-RTWAWAEBSA-N 495.694 1.184 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCc1cnccn1 1705895645 NPBGIJAHYUGRPV-UHFFFAOYSA-N 459.352 1.817 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1705899369 QFIMBAJGMGLQKF-XLIONFOSSA-N 465.558 1.486 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1705932525 VTWTWNYBIUYQDY-LJQANCHMSA-N 458.588 1.684 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)NC)CC1 1705933964 XKQOEEUGABHAON-UHFFFAOYSA-N 482.994 1.669 30 10 JDEE CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)CC1 1712702696 AWCKFEITZKPLQM-UHFFFAOYSA-N 492.627 1.113 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N(CCC#N)CC3CC3)n2CCN2CCCCC2)C1 1712705695 BCIWOKIXIVEHFF-LJQANCHMSA-N 465.624 1.227 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(CC)CC)nc1 1722295999 MSJLHLXENDRAJE-MJGOQNOKSA-N 475.619 1.358 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722362506 BKTMJTDSZMJNQL-MRXNPFEDSA-N 496.431 1.978 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCCN(C)C 1722384484 WRLKVHAFZUAWIX-FQEVSTJZSA-N 455.584 1.242 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)C(C)(C)C 1722417242 APPXCMHBLRBBFF-INIZCTEOSA-N 499.634 1.881 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CC(F)(F)C2)CC1 1722448157 UXHWYNXFUXIZGN-INIZCTEOSA-N 455.531 1.191 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 1722523423 SVESVCHSVKJPCA-HXUWFJFHSA-N 490.630 1.915 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1722559947 MNVCFKFUMXEBIY-RBUKOAKNSA-N 453.657 1.318 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1722629303 IJMOOVYSWONZHD-ZNMIVQPWSA-N 452.499 1.929 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1722692366 JXYRIUSSJFAILF-IBGZPJMESA-N 465.558 1.651 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1722698303 YDDCTILDVAPBIU-UHFFFAOYSA-N 487.467 1.661 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC(C)(OC)C2)cc1 1722704238 DQLIMOFZICKPNZ-LJQANCHMSA-N 477.587 1.449 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722707607 UOTYNJRNAGVZNF-RBUKOAKNSA-N 454.531 1.184 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722733412 YOZGUAATDXEDPF-OAQYLSRUSA-N 482.585 1.857 30 10 JDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCN1CCN(CC)CC1 1727652058 HFFDAYAUMFYSTJ-NRFANRHFSA-N 450.591 1.559 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC2(O)CCOCC2)c1 1729341555 DMQVWFGHVHDULL-OAQYLSRUSA-N 492.577 1.569 30 10 JDEE CNC(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)C(=O)NC)CC1 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C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(CCC(C)C)CC1 1740640930 ZNKODXBRMAHOOY-QFIPXVFZSA-N 490.674 1.442 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc21 1740645497 GTZYFJJXJISNSD-OALUTQOASA-N 454.600 1.802 30 10 JDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCN2CCOC[C@H]2C)CC1 1740698852 NPPAVRPYHAYPAZ-OAQYLSRUSA-N 452.603 1.548 30 10 JDEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(N)=O)C1 1740792666 KNHZOMXARLGEFN-KRWDZBQOSA-N 465.558 1.969 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccs2)CC1 1740793704 WCJWQPVWLSEYOE-GOSISDBHSA-N 496.659 1.592 30 10 JDEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1740840857 CHWJEZRHQFXSDB-HXUWFJFHSA-N 465.601 1.222 30 10 JDEE C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1740943563 WFGRLGHUJWVGDB-HNNXBMFYSA-N 457.926 1.593 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@](C)(OC)CC1 1740953791 RBCDSWCFSHTMCA-QHCPKHFHSA-N 490.630 1.893 30 10 JDEE 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467.621 1.416 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1749650468 YDGDBDNSELLDCL-DOTOQJQBSA-N 477.610 1.848 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)c1ccccc1 1750060610 IAHCQMAOTBTCAR-INIZCTEOSA-N 453.528 1.995 30 10 JDEE CS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(F)cn2)CC1 1750212577 DNGKCEBABBSWSW-UHFFFAOYSA-N 485.545 1.829 30 10 JDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C)C(C)(C)C1 1752269810 ANHVHZJXOJXELL-GOSISDBHSA-N 450.591 1.510 30 10 JDEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1760139341 ZGYZTYXZMIGSDE-UHFFFAOYSA-N 469.500 1.286 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1760181318 SFKWUXYPCINBLU-INIZCTEOSA-N 492.403 1.455 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1760193198 WLFQMSNKPKCZPD-LNLFQRSKSA-N 479.628 1.750 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760196722 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1760553792 IKXMFZUIFURYAG-SJLPKXTDSA-N 480.635 1.207 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)C1 1760566358 RVTRKUISKKVUOX-QFBILLFUSA-N 459.638 1.536 30 10 JDEE COc1cc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCN2CCOCC2)ccc1O 1862557463 JRGVEGCIECRTSC-OAQYLSRUSA-N 453.495 1.894 30 10 JDEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCNC(C)=O)cc1 1862610138 CKEAHQRVOBTHTI-NRFANRHFSA-N 480.473 1.959 30 10 JDEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCN(C(C)=O)CC2)=C(N)Oc2c1c(C)nn2C 1865227853 RPYOFKHULDAPDD-HXUWFJFHSA-N 451.527 1.679 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)C[C@H]3CSc4nc(C)c(C)c(=O)n43)CC2)CC1 1889433773 HTUZTIYIMSCQMA-NRFANRHFSA-N 487.670 1.546 30 10 JDEE CC(C)N1C(=O)CS[C@H](C(=O)NC[C@H]2CCN(CCN(C)C)C2)[C@@H]1c1ccc(C#N)cc1 1889461834 LVFAWVBBACBXOQ-OIBXWCBGSA-N 457.644 1.951 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)C1 2200902162 ACXYGOPSMUPPAT-OUAUKWLOSA-N 495.392 1.907 30 10 JDEE 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IUBYSCWVVPPFRX-IBGZPJMESA-N 463.357 1.330 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1690117437 HTDBTRCLQDPMFR-QFIPXVFZSA-N 495.672 1.991 30 10 JDEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(OCC(N)=O)CC1 1690169634 JDRIGRKEYDPQQZ-UHFFFAOYSA-N 465.583 1.968 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1690206355 OJXPVTSYKBPROD-XGHQBKJUSA-N 471.574 1.528 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCCO2 1690264736 BJUWSRDTFLSNIY-FQEVSTJZSA-N 477.587 1.833 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2c1OCCCO2 1690528011 WKJDKOBCOZFJED-SFHVURJKSA-N 463.560 1.443 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1690661812 IALRVUCBTWGZDC-GOSISDBHSA-N 464.324 1.369 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1690674313 WPOQIBFMRMPTDY-UHFFFAOYSA-N 493.593 1.859 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1690674866 IKXQNAGYSZLOSY-UHFFFAOYSA-N 486.580 1.967 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](Oc2ccccn2)C1 1690675261 UTSPSVFGPPDEPT-INIZCTEOSA-N 467.555 1.625 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCc2ccccc21 1691003232 DYPGWHXHYWVSES-YVWKXTFCSA-N 458.588 1.937 30 10 JDEE CO[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)c1ccccc1 1697170078 BHSPPOPVSSUYEN-VQTJNVASSA-N 474.587 1.739 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCSC)c1 1705507228 VTUDKQKABXKILV-QGZVFWFLSA-N 461.613 1.990 30 10 JDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1705559477 BDEFKLIRNMSZQM-APWZRJJASA-N 450.536 1.816 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1CC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1705561797 UOXGQSFIVQIABU-AVRDEDQJSA-N 450.605 1.993 30 10 JDEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1705562471 CVZRSBWPHCYUCW-MOPGFXCFSA-N 490.582 1.395 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1705563773 FDPLEYKQMGLQLX-MOPGFXCFSA-N 476.624 1.848 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1705569999 JGCSGBNZBFOTOM-KNQAVFIVSA-N 464.563 1.422 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccc(OC)cc1 1705582697 HPFLWQDIMWYPKE-GHTZIAJQSA-N 487.582 1.160 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1705633378 PUJAZSAIEQXGPB-AQNXPRMDSA-N 465.668 1.012 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[S@@](=O)CC)CC1 1705639281 KXCLFGBHUHQRCS-ASPBEGMCSA-N 478.663 1.916 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1705651065 IJBHJZRVBOOOFQ-NRFANRHFSA-N 480.617 1.364 30 10 JDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1705726832 JAVREIPGIOWOGF-UHFFFAOYSA-N 463.589 1.850 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1705730589 LXPZDRMMPRATMR-UHFFFAOYSA-N 468.562 1.856 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1Cc1cccs1 1705896869 APTLRCUYGJYFJT-LSDHHAIUSA-N 452.606 1.464 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1705901684 SZUGCUAQVMUDAI-UHFFFAOYSA-N 465.514 1.691 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1705935118 HUBPSFPJDMUJKP-KDOFPFPSSA-N 465.526 1.463 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1 1711073592 AIPUJBAESAMGFL-KNQAVFIVSA-N 474.587 1.280 30 10 JDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCOCC2)CC1 1711288417 BTSWGAGYLWPYKM-UHFFFAOYSA-N 451.575 1.890 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)NCCCC)CC1 1722332450 LEZNEPLKMJJTQO-LJQANCHMSA-N 480.635 1.157 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1722359582 UTBRURAQBKVVDI-IPMKNSEASA-N 497.687 1.407 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1722361972 LGJRAWPGYMTWAW-SFHVURJKSA-N 470.555 1.905 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722364902 JOJZABVSFPPENI-FXAWDEMLSA-N 476.672 1.992 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccn(-c2ccc(F)cc2)n1 1722389243 FXEIRGZLDKAKJQ-GOSISDBHSA-N 483.573 1.919 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)CN1CCOCC1 1722395302 YEUVLKZNHJPFRI-HXUWFJFHSA-N 497.669 1.978 30 10 JDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC(=O)NC(C)(C)C 1722458243 XSVHDJZDPLGVFM-UHFFFAOYSA-N 477.660 1.956 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)NCCOC)CC1 1722492690 GWXSTSRSRHCOHC-KNQAVFIVSA-N 472.590 1.712 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1722603463 JMWSGKAIYHVQRW-KNQAVFIVSA-N 482.651 1.268 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CCOCC1 1722658225 BHXGCKDXPLPVNK-MRXNPFEDSA-N 467.567 1.762 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1722699746 XTNYDOXPMLUNDU-HXUWFJFHSA-N 454.575 1.805 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1722729720 VHTRTHYTESWRBL-PKOBYXMFSA-N 474.587 1.358 30 10 JDEE CC(=O)N1CCCN(c2nnc(COc3ccc(C)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1722774500 AVDGOQNLAIAGMY-WCWDXBQESA-N 493.568 1.751 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)C1 1728681132 HNRPLFFFTZSSAJ-SFHVURJKSA-N 492.627 1.160 30 10 JDEE C#CCN(c1nnc(CSc2ccccc2OC)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1740628485 QLAZMQCTCBNINP-MRXNPFEDSA-N 450.586 1.852 30 10 JDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@@](C)=O)CCC1 1740683613 LPCWVMBVUFXKBU-JGCGQSQUSA-N 478.644 1.625 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCN2CCN(C(C)=O)CC2)CC1 1740708366 NCBSOFYLYBXBOT-UHFFFAOYSA-N 483.642 1.060 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCO[C@H]1C 1740919979 YXERMFQDARSFKT-QYWGDWMGSA-N 467.567 1.760 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncn(C)n1 1740934997 YEBLTLPFMAIZSV-LJQANCHMSA-N 486.602 1.023 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1740951948 QQCXGPPCPFWIIG-SFHVURJKSA-N 469.594 1.047 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1740955071 WJHBEXDOZGPPIE-UHFFFAOYSA-N 457.579 1.529 30 10 JDEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740997050 LXEUTNCJRLNDPS-CQSZACIVSA-N 494.419 1.112 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1748665851 VZFSWESQELFVHL-INIZCTEOSA-N 484.582 1.073 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1748751254 DMEVUZYVDPTMAS-IEBWSBKVSA-N 461.592 1.272 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C)Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1748820566 DWPITWBGAKWHGC-MSOLQXFVSA-N 475.640 1.968 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC(C)C)cc2)CC1 1748972327 GCRMEQYXLNQZDB-GOSISDBHSA-N 460.604 1.479 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CCC[C@H](C)C2)CC1 1749000832 APOFIRXBWJFGHK-IBGZPJMESA-N 471.650 1.894 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)N2CCOCC2)CC1 1749003349 GNFXNBBYILEZEF-NLFFAJNJSA-N 488.633 1.005 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1749015504 FUDGNKUIRAXQTN-BGYRXZFFSA-N 499.660 1.254 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@]2(N(C)C)CCSC2)CC1 1749017264 YZYMYRHDERIWJE-DEOSSOPVSA-N 467.643 1.667 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccc(F)cc1 1749066251 IXABOWDPWSWRJO-UEVCKROQSA-N 491.589 1.650 30 10 JDEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749231489 SBSFHLPNHDPKHP-UHFFFAOYSA-N 486.592 1.582 30 10 JDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1749456300 ATARNQCSOCOYSH-OAQYLSRUSA-N 460.623 1.899 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1749734955 ONWXGSGMYUTYNB-SFHVURJKSA-N 463.585 1.289 30 10 JDEE CC(C)CCN1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CC1 1750800981 BMNYHRZBXBXVPX-UXHICEINSA-N 464.636 1.667 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1760263785 OUSDOZKMLPHXOV-QGZVFWFLSA-N 464.617 1.233 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1760330441 CSJVFDZMIMRROO-OAQYLSRUSA-N 497.643 1.147 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cccc(Br)c2C1 1760520898 CROOZHJCPBUWNO-MRXNPFEDSA-N 459.348 1.857 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(OCC)CCCC2)C1 1760542863 KYEYUTJKLQUJJB-MOPGFXCFSA-N 483.635 1.742 30 10 JDEE COC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1767966792 BDFUXIDDWCZTJB-QGZVFWFLSA-N 475.619 1.507 30 10 JDEE CN(C)C(=O)Nc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1768469255 BYCCWYFUNNYLLA-SFHVURJKSA-N 452.519 1.385 30 10 JDEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)CC1CC1 1768939382 DNHNZKXHNARYQX-UHFFFAOYSA-N 458.588 1.410 30 10 JDEE O=C(NCCN1CCOCC1)[C@@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869932238 XYKRUYJSJWYHAY-HXUWFJFHSA-N 488.635 1.476 30 10 JDEE C=CCn1cc(OCC(=O)Nc2nnc(C)s2)c(=O)cc1CN(CCOC)CCOC 1870570545 DWXCFRBAGCLDSB-UHFFFAOYSA-N 451.549 1.307 30 10 JDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cn1CCO 1870697251 YKZRKIUQJZMWNA-UHFFFAOYSA-N 472.498 1.949 30 10 JDEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3/N=C/c3ccc(O)cc3O)CC2=O)cc1 1874199712 VDSOJXDYDMAGSM-AKRDWEBESA-N 482.522 1.678 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)ON1C(=O)CCC1=O 2037567991 UEXUHNFAAVSFKB-IRXDYDNUSA-N 459.499 1.721 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255619390 OTMIDJRUNVNMIV-VEWZGRNOSA-N 454.358 1.614 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@H](O)C1 2255652174 QLBMRUILTKXNPA-ZDUSSCGKSA-N 453.370 1.496 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C(F)(F)C1 2256619113 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C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1359036232 QTLNVZGFCGQBDV-RBUKOAKNSA-N 494.662 1.438 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCc2nccs2)CC1 1359047170 UVIDWOYAOCWDTD-UHFFFAOYSA-N 455.588 1.456 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@H]1C 1359057714 GUYVPZJZHXTRHQ-IAGOWNOFSA-N 478.619 1.620 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2noc(C)n2)C1 1359184012 ZOGXCPYGQKHACD-HIFRSBDPSA-N 453.569 1.760 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1359293170 JKBUTDKQKCFNQG-CHWSQXEVSA-N 487.424 1.606 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1359299116 VRADWDZEORIUDF-UHFFFAOYSA-N 463.546 1.466 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1359303064 CNISXINEKRTJTK-NRFANRHFSA-N 465.558 1.686 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1359332130 PXERKLAIHGFGTR-RBUKOAKNSA-N 467.636 1.462 30 10 JDEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(C(C)=O)CC1 1359339357 BUJGXQANGWWYQL-UHFFFAOYSA-N 453.576 1.899 30 10 JDEE C=C(Cl)C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)OCC 1471118491 OGYGTBFUMOYNEI-GOSISDBHSA-N 457.980 1.492 30 10 JDEE C=C(Cl)C[C@H](NC(=O)CNS(=O)(=O)c1cccc(Br)c1)C(=O)OCC 1471119711 ZWTYSQHVMYKMHB-ZDUSSCGKSA-N 453.742 1.918 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1F 1471292433 YPNCEWBNCXNHJT-JKSUJKDBSA-N 457.524 1.390 30 10 JDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1 1493191441 GZXALVPXWHNSBM-INIZCTEOSA-N 472.571 1.220 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2ncn(C)n2)c1 1503408616 FHPWFQUIZCZDPT-NRFANRHFSA-N 469.575 1.502 30 10 JDEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CNC(C)=O)C2)CC1=O 1504900585 AMKFEBAPBKOLAF-NHCUHLMSSA-N 479.585 1.664 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC(=O)N(CCOC)C1 1507539266 TXRCVNXRPVNBKL-FHWLQOOXSA-N 490.605 1.539 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(OCC)cc2C1 1507587858 BBYFYTDEMJPNAB-OAQYLSRUSA-N 473.599 1.986 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1507639487 KNYCQJGITSMJCF-SFHVURJKSA-N 487.561 1.384 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)CN1CCOCC1 1507649167 ZPVQMTOVALRCCL-LJQANCHMSA-N 459.554 1.233 30 10 JDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1507751423 HXUYIUDWQPFOJI-QGZVFWFLSA-N 487.630 1.409 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCn1cc(CO)nn1 1507763802 FHAZMIVOUFZYJI-HSZRJFAPSA-N 498.613 1.362 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccccc1N1CCOCC1 1508073926 ZMWSWPXUAONJHT-UHFFFAOYSA-N 455.563 1.192 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1508135001 CMNVLCRYUNXUOP-KNQAVFIVSA-N 486.642 1.535 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1508136755 VTDAWUCHSZAOTL-ZDUSSCGKSA-N 492.421 1.260 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1508240217 DOYSFQXYXCAYQM-FQEVSTJZSA-N 473.528 1.841 30 10 JDEE N#C[C@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCCS2(=O)=O)C1 1521069163 FCQIOXSVRJERAO-IFXJQAMLSA-N 466.564 1.679 30 10 JDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCN(C(C)=O)CC1 1539145974 UYPCJYFHLSZHKS-UHFFFAOYSA-N 457.966 1.095 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539212989 YWMFPKWVFPUVPY-QZTJIDSGSA-N 461.563 1.432 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCOCC1 1539325894 PQJACFPYTCEHFG-RTWAWAEBSA-N 486.617 1.770 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1539517281 LEVKPMSWCOWXLD-PMACEKPBSA-N 480.704 1.151 30 10 JDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1539519311 DOQDVRSPJKBROM-UHFFFAOYSA-N 467.643 1.765 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1539683304 MTFJEPBFHOUHBG-KSZLIROESA-N 454.641 1.790 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1540874209 YECSTQRNQFGSPX-OAQYLSRUSA-N 465.602 1.804 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1540901238 XBOIFAATCGMELH-UHFFFAOYSA-N 482.632 1.191 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCOCC1 1540907004 JAGWVDXJTZLCDK-UHFFFAOYSA-N 474.631 1.080 30 10 JDEE C=CCNC(=O)CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1546179768 XBIFZSITBFGNJU-NSHDSACASA-N 450.380 1.472 30 10 JDEE CNC(=O)[C@@H]1CN(S(=O)(=O)c2c(C)noc2C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367887 UHEOUUTUVQDPOD-INIZCTEOSA-N 471.461 1.807 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCCC2=O)CC1 1552738425 DABBOYPWZLGWSU-UHFFFAOYSA-N 492.628 1.820 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](c3n[nH]cc3NC(C)=O)C2)s1 1567490710 MFGKJXIUNFCRSU-AWEZNQCLSA-N 451.574 1.843 30 10 JDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(=O)N1CCOCC1 1587718602 JVGSLJKVWVZOHF-UHFFFAOYSA-N 459.572 1.447 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1588035365 SPFRSRROYVIYFC-YSZBQJHXSA-N 492.598 1.446 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588064742 ODYRNIVMQCYVRI-FGZHOGPDSA-N 486.642 1.247 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC(=O)Nc2ccccc2)CC1 1588752773 VHIPJWWVCGAHGY-DEOSSOPVSA-N 452.559 1.714 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1588914122 XIZBUSDNUKNBOO-HSZRJFAPSA-N 496.660 1.781 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCC[C@H]2N2CCCS2(=O)=O)CC1 1588947870 XSEJEWFWJLBSKO-LEWJYISDSA-N 490.674 1.647 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)c2ccccc2C1 1589069777 NUVAUHVUFCVVEV-FQEVSTJZSA-N 490.655 1.434 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 1595550571 FWQWEEBLFKSQRU-UYAOXDASSA-N 491.589 1.807 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCn2c(O)nc3ccccc32)C1 1595674480 QGJSSVAPVCSTQS-HZPDHXFCSA-N 475.575 1.425 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2CCOC[C@@H]2C1 1595760214 LJKYITCJXBOKRN-MSOLQXFVSA-N 479.578 1.679 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1595798367 OKVLNKGXDQURAN-HXUWFJFHSA-N 477.635 1.219 30 10 JDEE C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N)c1nccs1 1611583592 GYKVIQJHGMRFHJ-KFWWJZLASA-N 453.594 1.610 30 10 JDEE C[C@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)C[C@@H](C)O1 1612989011 BWJFSKKKFWIHDO-BGYRXZFFSA-N 481.601 1.611 30 10 JDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCC(F)(F)F)CCO1 1620354882 DJLIRDAKTLJZAU-LSDHHAIUSA-N 486.476 1.293 30 10 JDEE C#C[C@H](CO)NC(=O)Cc1csc(NC(=O)c2ccccc2I)n1 1625164994 BLKDYOJJLMNDHX-SNVBAGLBSA-N 455.277 1.653 30 10 JDEE Cc1nn(C)c(N2CCN(C(=O)NCCN3CCN(Cc4ccccc4)CC3)CC2)c1C#N 1629526853 GOHSXFRQBKEHHL-UHFFFAOYSA-N 450.591 1.250 30 10 JDEE C#C[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 1642431085 VSAYLHHFUJVLMV-ZIAGYGMSSA-N 457.346 1.381 30 10 JDEE COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 1652756786 FAXDHHCGFMUZIT-JOCHJYFZSA-N 456.568 1.677 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(Br)cc2OC)CC1 1671722073 AFURUHKFPPMLOS-ZDUSSCGKSA-N 459.366 1.314 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1689851599 SSYXLARFLUNKJA-QXAKKESOSA-N 461.588 1.613 30 10 JDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1689936759 CFOBGHWMPQNCGF-OAQYLSRUSA-N 452.607 1.686 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C(N)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1689983708 FUSGBAUYXKKOGQ-MRXNPFEDSA-N 485.957 1.162 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1689984310 NHMIXKCTILTIFZ-OAHLLOKOSA-N 475.962 1.808 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1689991887 DMQLZBUXUXKAKN-LJQANCHMSA-N 459.547 1.161 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)S[C@H](C)C1 1690668687 FDLGCBHOQVULTH-HUUCEWRRSA-N 453.572 1.824 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1690714417 MJFUEDUDGKEALK-NRFANRHFSA-N 465.551 1.254 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCc2cc(OC)c(C)cc2C1 1690729528 PAHDDCFWADKYPU-UHFFFAOYSA-N 473.599 1.881 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)OC(C)(C)C1 1690746547 CIRNFNLMVUDBQM-HZPDHXFCSA-N 459.638 1.534 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)N[C@@H](C)CC 1705481961 PKCGORQPJZKQSS-IRXDYDNUSA-N 460.604 1.958 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCC(=O)N2CCOCC2)c1 1705506609 CKNXXQOYTPRVCM-IBGZPJMESA-N 466.542 1.087 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(=O)NCC)CCC1 1705583484 ZBYNMHBXFNMQBW-LJQANCHMSA-N 484.601 1.966 30 10 JDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1nncn1-c1ccccc1 1705585032 IOTMXUZHQPULBP-UHFFFAOYSA-N 456.535 1.971 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCS(=O)(=O)NC(C)C)CC1 1705634054 HXEWTCDAZRIOKM-UHFFFAOYSA-N 498.451 1.129 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1705645175 NBVNAUKSMAUGLT-WWEVIYMKSA-N 459.591 1.447 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C(N)=O)nc2)CC1 1705648303 QJMHCAOYIBEDNV-IBGZPJMESA-N 451.531 1.028 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(O)cc2)CC1 1705651311 RQIJZNJYGAXGQA-UHFFFAOYSA-N 478.578 1.989 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1705651477 YFKUOEDUICQBBW-AREMUKBSSA-N 480.613 1.506 30 10 JDEE C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1705723682 NJRILEKUJKSUFF-GOSISDBHSA-N 470.574 1.913 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CN2CCCCC2)C1 1705737141 KUDLFOVFQCFAGH-RTWAWAEBSA-N 496.678 1.516 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705805204 BNASFOKNTTUTEW-GOSISDBHSA-N 458.588 1.894 30 10 JDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccc(C(N)=O)nc1 1705846407 DXURWQIXCHBQBL-UHFFFAOYSA-N 460.586 1.807 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1N(C)CCCC1(C)C)C1CC1 1705854748 NNBZHSBOMQNZSN-OALUTQOASA-N 466.652 1.886 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1705931773 ZVJXSUPJFIDQOS-INIZCTEOSA-N 482.628 1.953 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(c2cnccn2)CC1 1705936909 BAEJGFSHHVYXBT-UHFFFAOYSA-N 467.599 1.781 30 10 JDEE Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)c(F)c1 1707499907 HNFCANTYMKVDEI-PXNSSMCTSA-N 466.514 1.549 30 10 JDEE CN(C[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)C1)S(C)(=O)=O 1711149038 AWTYYPZIVNKGPT-PMACEKPBSA-N 488.614 1.873 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC)c1 1722309028 ISSMIQUNQWDOMV-SFHVURJKSA-N 460.560 1.077 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1722359260 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KNYTWFWFHRSPCK-IBGZPJMESA-N 462.620 1.928 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1c(C)noc1C 1722698381 FTHYBOSGZKXAMM-UHFFFAOYSA-N 465.562 1.996 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1722738763 PBDNSVNWCKETKG-GOSISDBHSA-N 483.660 1.175 30 10 JDEE CC1(C)CCC[C@@]1(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1724020580 CKXSTNXCVLPVTH-LAUBAEHRSA-N 466.608 1.292 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C(C)C)N2CCOCC2)c1 1740562630 MCQAWYMVJFINGO-FGZHOGPDSA-N 493.612 1.642 30 10 JDEE C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740569974 MQKQGPYXROVRLS-IBGZPJMESA-N 480.569 1.691 30 10 JDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740595442 DKWTYSNQIWBKEG-UHFFFAOYSA-N 470.537 1.963 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740628298 XAGJXYWMJGOIAY-ZCNNSNEGSA-N 465.664 1.991 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1740695127 GAJAVWLPAJAALX-GOSISDBHSA-N 464.496 1.144 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2csc(COC)n2)CC1 1740698560 IKNDQWFLZRDDPZ-UHFFFAOYSA-N 471.612 1.676 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC(=O)NCC(F)(F)F)CC1 1740699968 ARWXRKLSEVDHKI-UHFFFAOYSA-N 454.428 1.430 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCCCS2(=O)=O)CC1 1740701349 DDDAAFZOQDYFIS-GOSISDBHSA-N 459.572 1.780 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNC(=O)C(C)(C)C)CC1 1740703193 JHBWWBAGOGKJLB-UHFFFAOYSA-N 481.557 1.981 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1740954017 ZDPRRECLMWRXBY-QAPCUYQASA-N 492.422 1.885 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CN(C)C(C)C)CC1 1740956932 VXSCAQPXOAYENS-UHFFFAOYSA-N 478.605 1.780 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1740992829 UMDHISSTDYYZCO-UHFFFAOYSA-N 475.681 1.718 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(F)cc2C1 1740993100 YFHOUEQWFBHFEG-MRXNPFEDSA-N 468.576 1.483 30 10 JDEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1748722171 UHTAOJHYFFIBGS-UHFFFAOYSA-N 499.015 1.833 30 10 JDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NC)CC1 1748752421 WSLMRLINPARHRP-QGZVFWFLSA-N 461.567 1.461 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1748818409 BFMQNVNTOPXHON-GCJKJVERSA-N 464.563 1.422 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1748821873 VVHQQRYLZUJHKS-SJORKVTESA-N 477.612 1.323 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCC[C@@H]1NC(=O)NC1=O 1748940657 PFSDBZQFWVCJCT-SFHVURJKSA-N 467.505 1.281 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)N(C)Cc2ccccc2)CC1 1748971278 KFOWKBZHUOMYBE-UHFFFAOYSA-N 472.553 1.339 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCS(=O)(=O)CC=C)CC1 1748999522 ZKTDBHJRVDGXND-UHFFFAOYSA-N 457.600 1.830 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2(COC)CCC2)CC1 1749014805 OWGDJCUTLBBRGA-LJQANCHMSA-N 477.631 1.353 30 10 JDEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1749574465 VWTVZPZZGQDXEZ-UHFFFAOYSA-N 470.555 1.712 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1749670715 VSQQSGFXBPUKKX-MJGOQNOKSA-N 481.619 1.037 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1C1(c2ccccc2)CCC1 1749682444 UIBXWRNBJCFLTD-UHFFFAOYSA-N 493.612 1.224 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CC(=O)NCC)CC2)cc1 1749683790 GIYYNRTVSZAOHA-HXUWFJFHSA-N 467.574 1.100 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1749736823 PYYGFVQSKLWLRE-IBGZPJMESA-N 458.563 1.785 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H]3CCC[C@H](C2)C3O)nnc1[C@]1(OCC)CCOC1 1749740150 QYXLTTIZOHSMQE-APZTZJSISA-N 454.593 1.128 30 10 JDEE COCCN1C[C@H](Cn2c(C(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)CC1=O 1749858409 HVGXAJAKFFQRSP-QZTJIDSGSA-N 467.578 1.273 30 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C[C@H](CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1 2282068028 XMNBOBOPQCKUCS-OAHLLOKOSA-N 463.388 1.380 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C 2282313444 LFOPJHZPQVAIQS-IAGOWNOFSA-N 476.408 1.777 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 2282314145 VDCFCTQGARONQI-UHFFFAOYSA-N 475.424 1.399 30 10 JDEE C[C@H](O)CN(CCNC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2282555230 PXRDJHLNJCAQFN-ZDUSSCGKSA-N 486.806 1.720 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)CCO2 2282580432 SVWOFKNYLMAORX-QFIPXVFZSA-N 462.356 1.561 30 10 JDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282590252 YRBSIOTUKOBNKA-GJZGRUSLSA-N 464.372 1.392 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282695375 MZQAIEYVGGQIOO-JOCHJYFZSA-N 462.356 1.268 30 10 JDEE Cc1nc(S(=O)(=O)N2C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282872606 ZEWJXLGKRMHPIT-DZGCQCFKSA-N 484.428 1.704 30 10 JDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2284063770 PXEODDNCDFODOX-UHFFFAOYSA-N 479.408 1.573 30 10 JDEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2285350858 RPHRSBIHCSROGT-AWEZNQCLSA-N 467.347 1.868 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@H]1C(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1 2342473385 HGNGSAXGZTUVKC-JEZSTIGHSA-N 454.373 1.802 30 10 JDEE N#Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)ccc1F 488939739 HVXXSXKUOHKIIA-UHFFFAOYSA-N 452.464 1.403 30 10 JDEE C=CCOC[C@H](O)Cn1c(N/N=C/c2ccc(Br)cc2)nc2c1c(=O)n(C)c(=O)n2C 606629613 COWCXBQRSWLNHC-WPZNHYQYSA-N 491.346 1.206 30 10 JDEE CN1CCN(C(=O)c2cc(I)cc(I)c2O)[C@@H](C#N)C1 708571255 DBBAXENYEVMOFQ-VIFPVBQESA-N 497.074 1.881 30 10 JDEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)n2N)cc1O 1084049834 SKGUWXNORGNTTI-UHFFFAOYSA-N 473.515 1.900 30 10 JDEE C=CCc1cc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)cc(OC)c1OC 1142604690 SQAGZHBROLLSKO-UHFFFAOYSA-N 455.496 1.774 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)[C@@H](C)C(=O)Nc2nnc(CC)s2)c1 1190060643 CDEFRJKMFBLIOA-CHWSQXEVSA-N 451.574 1.958 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3CC(=O)N(C)C)ccc1F 1271895603 NQIJIOIBFZCNQX-ALOPSCKCSA-N 452.552 1.103 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)C2CC2)c1 1286311671 OYSLCJAHYBRMFQ-SBUREZEXSA-N 471.583 1.397 30 10 JDEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1286341037 AYEHMVOCRWXNTO-QGZVFWFLSA-N 467.509 1.306 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1286384520 REKCBCKEOISAAS-NZQKXSOJSA-N 473.599 1.503 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1286388492 PWOQLQRJUHNUJD-KRWDZBQOSA-N 453.553 1.652 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(C(=O)NCC)CCC2)CC1 1286472690 BOPUAMWIWNCTDF-UHFFFAOYSA-N 484.626 1.410 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2csc(COC)n2)CC1 1286486112 IPYMDZBXRZBQSD-UHFFFAOYSA-N 494.581 1.542 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1286758234 HFRQJQPLHDAVBA-KRWDZBQOSA-N 476.603 1.613 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1286779160 FPLMUORNMQSUCL-MRXNPFEDSA-N 463.560 1.278 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1286781688 XIFNIKRBVUFNBV-QFIPXVFZSA-N 487.948 1.195 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1286793135 SWMFNEPMJKWHRR-UUOWRZLLSA-N 492.621 1.926 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1286818380 HNIXYNPFQWPRSY-BTYIYWSLSA-N 475.575 1.439 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1286821998 FTFJKEXGMRULRJ-UHFFFAOYSA-N 463.526 1.726 30 10 JDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1286828904 RTGLEMBPSTUCDO-UHFFFAOYSA-N 490.659 1.756 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2CC(=O)N2CCOCC2)c1 1300331003 GEXUWNXSQVINGW-UHFFFAOYSA-N 495.584 1.112 30 10 JDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1300357152 ITIGXSDZRRPJAA-NRFANRHFSA-N 469.634 1.803 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1300487696 LKFMETHVHQRWEC-INIZCTEOSA-N 458.569 1.618 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300488795 WJJFEBCRDVFPCY-AEFFLSMTSA-N 491.618 1.466 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300489069 ZXJGNBBZRJUQRX-RTBURBONSA-N 473.599 1.301 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1300491398 HMYDKRRPDHVLIK-PGRDOPGGSA-N 470.530 1.409 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(Cc3ccccc3)CC2)CC1 1300711618 FEQXKKPUNYRLKY-IBGZPJMESA-N 498.653 1.877 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](COC(C)C)C1 1301152224 WQPOADVFTKVTAX-OALUTQOASA-N 485.651 1.844 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1301223401 ULSBNHYBBONODW-WOJBJXKFSA-N 493.634 1.296 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)nn1C 1301403089 UUKIPKDSFDSCLX-JOCHJYFZSA-N 499.641 1.936 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1301411227 VHAVMGABMQXIMX-ZWKOTPCHSA-N 497.643 1.432 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1301482815 CNOFTDPEFWWKPW-ZBFHGGJFSA-N 459.348 1.725 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1301574990 ABVHYBAXAYXGCW-DNVCBOLYSA-N 475.571 1.278 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1301579833 YQHSACFFQIYFRU-UHFFFAOYSA-N 482.492 1.651 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1301586805 JQYBEKIXKWKSCO-IBGZPJMESA-N 458.588 1.456 30 10 JDEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CC1 1301703238 BRUTXHMUAPZFSK-UHFFFAOYSA-N 481.601 1.634 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccsc2)CCO1 1315006016 BGXLHMSVPHFUQV-PGRDOPGGSA-N 452.540 1.737 30 10 JDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)CCO1 1315949202 AQMHQDKDDARATM-WHUARKNTSA-N 459.572 1.882 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)C2CC2)c1 1358900559 NBJUGISGAMKQRF-XMMPIXPASA-N 450.543 1.731 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCNS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358963178 DBYLPNOTZBNFTH-GOSISDBHSA-N 493.655 1.472 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358965666 ZBJPQGDDJYPBNS-IBGZPJMESA-N 496.630 1.848 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nnc2n1CCCCC2 1358994106 FFRITERGOTWFNK-SFHVURJKSA-N 455.588 1.204 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(F)c1 1358994946 ZRDZISVLEVJSNB-HXUWFJFHSA-N 475.546 1.292 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(C)no2)C1 1359049216 KOVKROBQJVDIBU-ZFWWWQNUSA-N 453.594 1.330 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC[C@@H]1NC(=O)NC1=O 1359065872 GHJKMLKCFNNQOG-HTAPYJJXSA-N 470.555 1.329 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1359092300 ZGKGODDALUXKRX-CURYNPBISA-N 469.608 1.254 30 10 JDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1359168292 OKKMVRCTPVRGEH-INIZCTEOSA-N 464.617 1.708 30 10 JDEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1359216616 ZGQBRHRIGIFRFZ-IBGZPJMESA-N 474.635 1.936 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCOC1 1359260365 BRMLIZWBLNAQKI-SIKLNZKXSA-N 495.577 1.094 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C2CC2)C(=O)C1 1359293951 FYDUJFIJBFTQOR-UHFFFAOYSA-N 477.338 1.960 30 10 JDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1359303272 IYAYXTJQBNERMG-GOSISDBHSA-N 471.587 1.101 30 10 JDEE C=CC[C@H]1CCN1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1464913105 QDRWNLOVKBOQRC-KRWDZBQOSA-N 450.561 1.726 30 10 JDEE C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)C(C)C 1467660640 VYCYWJTUIPZVCB-LECRGTDLSA-N 455.621 1.883 30 10 JDEE Cc1nc(C)c(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)s1 1492659542 DVYYXSSBCTYYSP-RDTXWAMCSA-N 469.568 1.175 30 10 JDEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2OC)C1 1503760168 DMWSIBDWIQVSMM-SBHAEUEKSA-N 468.558 1.743 30 10 JDEE CO[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCN(C(C)=O)CC2)CCOC1 1504056156 BVYQQJJKYCDDRS-HSZRJFAPSA-N 454.531 1.593 30 10 JDEE C#CCN(c1nnc(C)n1Cc1ccccc1CN1CCC[C@H]1CO)[C@H]1CCS(=O)(=O)C1 1507625934 LRJMYQIIWWPFMS-VXKWHMMOSA-N 457.600 1.218 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1507633931 VRAYYSWDSQMGFS-NHCUHLMSSA-N 485.610 1.749 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCN(C(C)=O)CC1 1507668310 AKEGCZKPWDCWKT-UHFFFAOYSA-N 464.570 1.589 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1507723318 DAHNTLMXLITTFO-LJQANCHMSA-N 450.591 1.705 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1507743571 GKCHTJMFTKWOTP-UHFFFAOYSA-N 456.572 1.451 30 10 JDEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1507827177 XMTNAKLHRRTKGL-UHFFFAOYSA-N 486.558 1.982 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2nccc(OC)n2)CC1 1508082770 XCSGAUFKTVBDQE-UHFFFAOYSA-N 452.494 1.512 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCOC1 1508088591 CDOORBKZJSWYRF-HOTGVXAUSA-N 450.540 1.114 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 1508097116 MTAHYUJWVXQWAE-QFIPXVFZSA-N 495.628 1.772 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1508116696 IHCSXMKYQUWQBQ-UYAOXDASSA-N 454.579 1.459 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCN(C)C)cc1 1508420763 ARGOYKXEASKIBY-MJGOQNOKSA-N 460.604 1.765 30 10 JDEE CCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NS(=O)(=O)CC)CC2)cn1 1515778628 GKWZMJMBGWBASS-UHFFFAOYSA-N 498.613 1.902 30 10 JDEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1516959515 DJWDLKKVENZREN-NRFANRHFSA-N 481.601 1.756 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CCO[C@@H]2C)c1 1539037106 BXFXLMYXOJJMJW-MWTRTKDXSA-N 454.531 1.012 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)N1CCc2ccccc2C1 1539179900 TWOLJUMVFIFSAG-YADHBBJMSA-N 486.642 1.517 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1539211451 LWMLQIUHSPCNCP-SFHVURJKSA-N 450.528 1.103 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCNC(=O)c2ccc(C)cc2)CC1 1539428989 YYHPZTXVIYNXTO-UHFFFAOYSA-N 465.602 1.690 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)N2CCc3ccccc3C2)CC1 1539430009 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C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1540866613 UJRFRLBOJRAZQK-SFHVURJKSA-N 476.940 1.867 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1540874488 IFKNICKOFGJZLS-OAQYLSRUSA-N 482.585 1.604 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2nc(C)cs2)CC1 1540904723 PLQMUSZELMSBSU-UHFFFAOYSA-N 473.628 1.956 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1540917084 NDVAHAQOJCFSDX-QGZVFWFLSA-N 491.639 1.767 30 10 JDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)C1 1554542143 BBCWTAAPSYRRHU-IBGZPJMESA-N 454.531 1.450 30 10 JDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 1570503948 MCLOHDUNKRAPQL-XKQJLSEDSA-N 464.993 1.129 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)(C)C)CC1 1587861585 NMZDQBTZYCIVOC-SFHVURJKSA-N 452.625 1.335 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1587862630 YBMLEQJWSNOEJI-QGZVFWFLSA-N 495.675 1.028 30 10 JDEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1588040882 RDEBMTIULCHIFH-GOSISDBHSA-N 489.598 1.504 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588044970 DQBSXNWXSLRPDM-FPOVZHCZSA-N 471.627 1.849 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(COC)CCOCC1 1588125062 ZWBQGJYQCVUDPB-UHFFFAOYSA-N 470.599 1.754 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCOCC1 1588138424 CKPPDSUBJJJBPD-PMACEKPBSA-N 472.590 1.380 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCS(=O)(=O)c2ccccc2)CC1 1588733147 OKFJKYOKXFCNDM-UHFFFAOYSA-N 470.599 1.133 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1588890691 DFOWDLKUEAKQAB-FGTMMUONSA-N 480.635 1.059 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC(=O)N(C)C)CC1 1588898815 DBCZZFMRGYEBKY-UHFFFAOYSA-N 474.512 1.991 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1589059949 LCPAZCCTCPDSHX-LJQANCHMSA-N 486.573 1.462 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1593806404 AGPYBBSMTSFJNK-JKSUJKDBSA-N 457.988 1.360 30 10 JDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1594807087 DGZRRLQDMRXHIR-IAGOWNOFSA-N 451.535 1.199 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1595335206 OJVKQJDQVJQMOQ-UHFFFAOYSA-N 475.619 1.028 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1595522377 CRHCZTVJBAGKTG-UHFFFAOYSA-N 469.496 1.826 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)NCCOC)CC1 1595550684 HGKNRBQINKLFLH-HXUWFJFHSA-N 484.557 1.072 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)s1 1595615255 RZYCYOYGTBEDQT-UHFFFAOYSA-N 453.508 1.672 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(F)c1 1595797032 DICFKUWYDBIAQG-INIZCTEOSA-N 456.565 1.557 30 10 JDEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CCC1 1615923215 FUKIBJYXQFHRMX-FQEVSTJZSA-N 465.558 1.464 30 10 JDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 1630445566 HGVSKGAZUACFKF-QEJZJMRPSA-N 463.478 1.325 30 10 JDEE C#C[C@H]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3c(C)oc(C)c3C(=O)OC)CC2)CC1 1638134782 KSXDPMMZQIZGJD-QAQDUYKDSA-N 451.545 1.891 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)CC1 1685647604 LCTRLPKFWXBASW-UHFFFAOYSA-N 451.936 1.598 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(F)(F)F)C1 1689892677 LACTUEKIFZMRQB-CABCVRRESA-N 465.498 1.182 30 10 JDEE C#CCCCn1c(N2CCN(CC(=O)N3CCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1689941347 NDBFHFZLJXRUCM-VWLOTQADSA-N 472.634 1.867 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1689965651 AEXHPEYZXDMGAQ-QRVBRYPASA-N 452.625 1.048 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689982006 GDEMVSWKBKNXTI-XXBNENTESA-N 480.631 1.905 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1689986380 OIEOJWLGXPZXMF-INIZCTEOSA-N 490.387 1.626 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1690104222 QCRQCHFLUDCMHZ-MSOLQXFVSA-N 483.635 1.769 30 10 JDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1690361205 KIMCYTVNYIPLRR-ICSRJNTNSA-N 467.014 1.889 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C(C)C)C(C)C)CC1 1690375924 XOPBBFJBYFGTKV-IBGZPJMESA-N 454.641 1.886 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCc2ccccc2F)CC1 1690669641 KWYGKIZLJNYBEI-IBGZPJMESA-N 456.522 1.856 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](C(N)=O)C1 1690717390 DZLOYMUKQYJKTI-AWEZNQCLSA-N 455.487 1.459 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1690724691 USKHEMUROCWYQR-GOSISDBHSA-N 477.587 1.555 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1690727137 VCSWOFLKTRWRKP-UHFFFAOYSA-N 460.604 1.559 30 10 JDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1695437982 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1.699 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCO[C@@H]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722358990 OUTJOYHRYUYTDI-GUDVDZBRSA-N 465.620 1.638 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722365632 NFUIGOPGULPEMF-GOSISDBHSA-N 484.548 1.775 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1722367243 LIJVPBOXIYOHFF-OALUTQOASA-N 463.604 1.549 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN(C)C(C)C)CC1 1722434316 PCRBGVXCKYEBQL-UHFFFAOYSA-N 458.632 1.834 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@]2(N(C)C)CCSC2)CC1 1722443714 MMNKJXCRWVJJSG-DNQXCXABSA-N 490.674 1.333 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1722445028 JEKOETLQQSVRAA-OAQYLSRUSA-N 495.609 1.207 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)N1CCCC1)C1CC1 1722650863 MXWJWARSMBPSIW-PKOBYXMFSA-N 452.625 1.640 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC(C)(OC)C1 1722701452 QDVJVSKWXURFBB-UHFFFAOYSA-N 453.591 1.170 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1722728030 SQCPJMAOOKHFSB-LJQANCHMSA-N 472.615 1.773 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1722729228 GQGGORNAKVUWAV-UHFFFAOYSA-N 470.555 1.420 30 10 JDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722742074 HDLWEPCPYXLJAJ-HXUWFJFHSA-N 455.632 1.926 30 10 JDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1)N(C)C 1723817918 IETQRMXBVNJZAI-FQEVSTJZSA-N 464.618 1.901 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c(c1)CCO2 1740549705 GPOIPSGYNMZTQD-OXJNMPFZSA-N 459.572 1.247 30 10 JDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1740579099 LOOVRPZNEYOERT-FQEVSTJZSA-N 455.607 1.451 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1740615723 JVXAITCWZSNVDK-WOJBJXKFSA-N 471.583 1.953 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](SC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740617575 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C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1286825059 LGWWFJOCVINCIO-LULLPPNCSA-N 454.593 1.607 30 10 JDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1286829501 DMWFEJBQYHJCHI-UHFFFAOYSA-N 483.598 1.406 30 10 JDEE CC(C)Oc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)cn1 1288332300 AMVZFZUQVRLQFK-IBGZPJMESA-N 489.602 1.581 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCOCC2)c1 1298096451 GRQKCIKQPGIWKU-QFIPXVFZSA-N 491.593 1.360 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2ccc(C)n(C)c2=O)c1 1300336637 LZJLLFOFMNXRNW-UHFFFAOYSA-N 487.564 1.512 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1300338785 GUIXYLLGVRRAGJ-GOSISDBHSA-N 468.624 1.997 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300482443 FMZVOLBSELXERV-CEXWTWQISA-N 451.637 1.702 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1300489204 KBZSFKGRGKHFKP-JTSKRJEESA-N 462.572 1.750 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCN(C)C1 1300579707 YOPOFWQQTJXTIV-VWLOTQADSA-N 470.618 1.922 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCS(=O)(=O)c2ccccc2)CC1 1300685492 PGMARMMMLXAALR-HSZRJFAPSA-N 473.599 1.159 30 10 JDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)OC 1301001699 AJIUYVWBMRUZPX-ICSRJNTNSA-N 476.603 1.586 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1301491114 LRPCISZARCPWPO-UHFFFAOYSA-N 454.579 1.023 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CCCO)CC1 1301497020 LFKAXLCNPSDEEO-UHFFFAOYSA-N 465.558 1.483 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1301499875 GLHSKXHIGPPUSQ-FQEVSTJZSA-N 452.559 1.745 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1301568136 OWELWHAJVLDMSV-IBGZPJMESA-N 495.552 1.971 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)nnc1C(C)(C)C 1301596533 RDZHCZAXGIYHBT-UHFFFAOYSA-N 494.706 1.993 30 10 JDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)C[C@H]1C 1301887473 HTJOHCUFJVNDIA-NFBKMPQASA-N 467.618 1.820 30 10 JDEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCCC(=O)NC)CC1 1313924634 HTSSEPYCHUGZSF-IBGZPJMESA-N 452.607 1.805 30 10 JDEE CS(=O)(=O)Cc1cccc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1316340982 BYQUCLXOOXQJFT-FQEVSTJZSA-N 452.540 1.586 30 10 JDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCN(CC(F)(F)F)C2)CCO1 1316538701 AGNIYTZGIMQAGO-GJZGRUSLSA-N 483.520 1.883 30 10 JDEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1358910129 FGVUYLXHMKVAEK-UHFFFAOYSA-N 451.575 1.433 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1358930186 PQNFUZPOWBAUJE-QLFBSQMISA-N 465.498 1.180 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1358958387 NBPUJAAHZUSKEL-CQSZACIVSA-N 474.967 1.409 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1358962364 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1508081333 JKJQVYDAROMWBZ-UHFFFAOYSA-N 466.590 1.167 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2ccccc2)CC1 1508095166 MEYPUKUEIODEFQ-UHFFFAOYSA-N 451.575 1.415 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C[C@H](O)COc3ccccc3)CC2)nnc1C(C)(C)C 1508099477 YWBBNCBXVNBYHZ-IBGZPJMESA-N 456.591 1.440 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)COC)CC1 1508105752 PQQLERVPPAYVCL-UHFFFAOYSA-N 456.547 1.324 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N 1508145644 NYMJKDPYCMGJLM-IRXDYDNUSA-N 482.607 1.926 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(OC)CC1 1508145909 QHWCJSROFLARGO-APWZRJJASA-N 460.622 1.176 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCc3oncc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1508149448 VFRNXZPPUYXEIT-HXUWFJFHSA-N 451.549 1.470 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCN(C)C(=O)[C@@H]1C 1508149924 YLWLRFQKSSUTCJ-HNNXBMFYSA-N 451.524 1.264 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C#N)o2)[C@H](C)C1 1508243045 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C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1 1540878550 AIADHRYOIPQSEA-OAQYLSRUSA-N 482.585 1.916 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCS(=O)(=O)NC)C1 1540884398 OTNNAMLWXNIIGC-AWEZNQCLSA-N 473.397 1.377 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1540900555 ZPDIOLAJUFEJFE-CVEARBPZSA-N 464.979 1.842 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1540908882 QEGVFUBQIJSBJU-QHCPKHFHSA-N 473.599 1.879 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1540917180 PHLJYNZMTIPBHX-ULQDDVLXSA-N 459.638 1.391 30 10 JDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1)N1CCOCC1 1541864661 ABAMEQUVRIHMQE-GOSISDBHSA-N 450.547 1.819 30 10 JDEE CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1547158040 GXWMPSSCHNELBQ-IBGZPJMESA-N 477.566 1.358 30 10 JDEE CCN1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)CC1 1547733253 IAHWXWHNBLYTGX-UHFFFAOYSA-N 485.658 1.858 30 10 JDEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1ccnn1C 1548372421 DSWXRKWJMGRBGK-SFHVURJKSA-N 464.448 1.404 30 10 JDEE COc1cc(F)cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)c1 1554778676 BXXACGVMDOTKKB-KDOFPFPSSA-N 466.539 1.403 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cc(C)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1588069532 PZGXPNZHBYETHD-LJQANCHMSA-N 471.583 1.393 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C2CC2)N(C)C)CC1 1588836334 GRKQRLBAVDCHNZ-SFTDATJTSA-N 487.649 1.682 30 10 JDEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1588877303 YTPMQPDQIQZUOM-NRFANRHFSA-N 496.058 1.529 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2NC(=O)CC2(C)C)CC1 1588908439 QUVGPOAUBBEBJE-OAQYLSRUSA-N 494.596 1.843 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](F)COC)CC1 1588968741 PPBQJCMTXXBHDS-GBESFXJTSA-N 492.596 1.999 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCCOC2)C1 1589405179 PBOGJTQNBREBBM-YJBOKZPZSA-N 490.424 1.527 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1589485293 YDBKRTPPGYNMCB-IEBWSBKVSA-N 482.589 1.218 30 10 JDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1595314319 PCAMZDZCLYHHBG-GOSISDBHSA-N 452.563 1.634 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1595537733 XFPIPUANZFMMIY-OAHLLOKOSA-N 457.535 1.049 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1595577274 NLGJHNSHLAGXCB-SFHVURJKSA-N 476.603 1.246 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1595784497 GXYGLGRUBRKUBQ-UHFFFAOYSA-N 489.646 1.399 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1595788563 CYQBZJDXVIMYIV-DOTOQJQBSA-N 477.591 1.685 30 10 JDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 1602752109 HYGLPTOFHMKJEE-NXHRZFHOSA-N 462.572 1.940 30 10 JDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C)n(C)c1=O)[C@H]1CCS(=O)(=O)C1 1615213257 HTLQAMALCITMRO-FQEVSTJZSA-N 466.567 1.886 30 10 JDEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1616472977 DWRUTODWYKRMEX-SFTDATJTSA-N 479.534 1.247 30 10 JDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(Br)c(NC(C)=O)cc2C)CC1 1622067697 XAAFBTWAACOGLG-UHFFFAOYSA-N 456.362 1.866 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)c(C(F)(F)F)c1 1622620290 COCRRNGZAMCOEV-UHFFFAOYSA-N 453.450 1.733 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](CCNC(=O)C(F)(F)F)c3ccccc32)C1=O 1635943342 JDQPOJQKILNGEF-LBPRGKRZSA-N 452.389 1.162 30 10 JDEE COc1cccc([C@H](NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c2nccn2C)c1 1641554259 ICJVWYOUVIDGNQ-YWZLYKJASA-N 453.524 1.873 30 10 JDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 1659673618 WQGNJUVUSQQLJL-RBUKOAKNSA-N 456.586 1.793 30 10 JDEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 1667909805 CGIYZZXDTKUQDY-UHFFFAOYSA-N 456.933 1.310 30 10 JDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)C1CCCC1 1683688434 CQJFMDMIIAIIFW-QZTJIDSGSA-N 450.565 1.071 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(C)C)cs1 1689852509 GHYWLWDVAXORCX-HOCLYGCPSA-N 452.606 1.697 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1689892791 NIYVUYHYTYQENU-OZIGNCPNSA-N 481.619 1.187 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1OCC=C)[C@H]1CCS(=O)(=O)C1 1689988896 YGJSZQWPISXGRC-OALUTQOASA-N 469.567 1.469 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(-n2cccn2)cc1 1690103619 FBMQOKVJHHQDBA-FQEVSTJZSA-N 468.583 1.695 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc2c(c1)OCO2 1690104319 SQCUABZKSCXDGB-QGZVFWFLSA-N 474.583 1.973 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC=C)cc2)CC1 1690124791 UPLDLALPTXANJU-FQEVSTJZSA-N 455.584 1.549 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCC(=O)N2)CC1 1690152201 BWABIWTYLITRGR-LJQANCHMSA-N 450.543 1.410 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)CC1 1690244971 BEZWHOYEUNTOPU-QYZOEREBSA-N 453.609 1.829 30 10 JDEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1)c1ccccc1 1690324078 IAJXFQGNKNESBT-ROUUACIJSA-N 450.586 1.517 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1690432645 IIWAITOHPYBPLA-QZTJIDSGSA-N 482.651 1.708 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1690609504 QRLRMXNQNRXUQU-QGZVFWFLSA-N 478.600 1.944 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1690675131 PTFFDJORXNBOKM-UHFFFAOYSA-N 465.484 1.831 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690677537 ZLTPCVTWPKGMIM-HSZRJFAPSA-N 460.579 1.070 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@H]1CC 1690678046 JHEUPSTUYMVDMA-CVEARBPZSA-N 461.567 1.367 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)N2CCCC2)CC1 1690678260 PUTIJDBQMRZYKA-ICSRJNTNSA-N 460.579 1.143 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](COC)C1 1690720957 VZQIODLQVQTBCA-SFHVURJKSA-N 457.556 1.946 30 10 JDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)[C@H](C)C1=O 1692423594 GKBFCYJBXJHSFN-UZUQRXQVSA-N 486.598 1.059 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1698487223 DUWBSKUMHJUNGQ-SFHVURJKSA-N 485.488 1.260 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CCN2CCOC(C)(C)C2)c1 1705508343 SYUVPWJXKHPQCT-UHFFFAOYSA-N 454.575 1.982 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCO[C@H](C)C1 1705544806 DPLSGPNVRQDMDS-LJQANCHMSA-N 474.631 1.766 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CCOCC1 1705552419 YPEWPYQHWQFQSI-HXUWFJFHSA-N 473.599 1.429 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cc(Cl)ccc1OC)[C@H]1CCS(=O)(=O)C1 1705559368 ZCSNYBWVOGXYEK-KRWDZBQOSA-N 479.990 1.753 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1705560198 FJPYRUKIFLIMDQ-FUHWJXTLSA-N 494.664 1.728 30 10 JDEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C#N)C1 1705663463 IRDMMXJHEPIRPQ-QFIPXVFZSA-N 465.627 1.738 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705670354 QQEWMLAKIMSQDQ-VGOFRKELSA-N 491.639 1.622 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1705890641 AKEYTHZEBKQEKT-BZSNNMDCSA-N 468.624 1.318 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1705896410 LNRGRQKROBSIJB-UHFFFAOYSA-N 479.585 1.984 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)OCC)CC1 1705901853 YBYBCSQBTANGMQ-UHFFFAOYSA-N 466.502 1.175 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1705932654 XKNXAMJWZWBYEG-OAHLLOKOSA-N 462.498 1.827 30 10 JDEE CCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC)CC1 1709822141 GZGQBCWPEZTWOE-UHFFFAOYSA-N 458.588 1.994 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(C)=O)cc1 1722296601 SLDNPLCNSGOBPN-DNVCBOLYSA-N 460.560 1.076 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCN2CCOC[C@@H]2C)c1 1722307251 KLXFTISIRSAIJB-NRFANRHFSA-N 490.612 1.917 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722326539 VFNQPAVSMHXFRS-KRWDZBQOSA-N 465.601 1.232 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722358565 JABHQTOXZRLVPW-UXHICEINSA-N 499.641 1.674 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OC)c(O)c1)[C@H]1CCS(=O)(=O)C1 1722362396 TYKCLQRGDSEKIY-SFHVURJKSA-N 453.524 1.729 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1722365958 GLZSOQLPBYHYTJ-KBPBESRZSA-N 452.487 1.185 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(NC(C)=O)nc1)[C@H]1CCS(=O)(=O)C1 1722367359 MURCKUAXXINPJH-OALUTQOASA-N 472.571 1.201 30 10 JDEE C#CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC)[C@@H]1CCS(=O)(=O)C1 1722368844 WQQHHHXCNUOZHU-IAGOWNOFSA-N 467.592 1.623 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1C[C@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722369137 YTOXDNKNBHQRNA-WOJBJXKFSA-N 451.637 1.460 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(OC)nc2ccccc12 1722412832 FOOTYFNZRPHEKG-HXUWFJFHSA-N 484.582 1.676 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1722438393 XFBFJDGRBSCBQM-QGZVFWFLSA-N 498.531 1.320 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1722441354 IQHSHLAZJFKXDE-GOSISDBHSA-N 476.578 1.033 30 10 JDEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCC(C)(C)O)CC1 1722441639 UFYFFYZKSNGOLX-UHFFFAOYSA-N 465.646 1.559 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCOCC2)CC1 1722445108 LPXDCFCAVDYHNI-UHFFFAOYSA-N 475.597 1.895 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1722457424 DMRQKEWWMUGRIC-QGZVFWFLSA-N 453.576 1.443 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCOCC1 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C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1740624064 DSRXWXUKHWJZFT-IERDGZPVSA-N 477.612 1.465 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740628135 VSFVUVFLAMMSCU-NJDAHSKKSA-N 457.600 1.712 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOCC(F)(F)C(F)F)[C@H]1CCS(=O)(=O)C1 1740629396 MDSIXSPXAKLCHQ-UONOGXRCSA-N 468.473 1.673 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CCCCC1)N(C)C 1740639286 ABMMPSQJAOOREO-NHCUHLMSSA-N 476.647 1.194 30 10 JDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1740689052 YGCIAWRFQXLQEJ-LJQANCHMSA-N 467.574 1.155 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCOC[C@@H]2CCCO2)CC1 1740704331 LTMQOULYNYANKR-FQEVSTJZSA-N 454.575 1.835 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1740724245 ZOOKCDONKJJYPZ-JYJNAYRXSA-N 475.537 1.873 30 10 JDEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1740784544 HUWHVJLYWQXPKB-NRFANRHFSA-N 486.598 1.936 30 10 JDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1740792192 GMIDNXUVTOGHHX-KRWDZBQOSA-N 494.618 1.706 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(NC(C)=O)nc2)CC1 1740840416 YHUSIKLTZWOYNI-IBGZPJMESA-N 489.602 1.415 30 10 JDEE C=CCn1c(N2CCN(CC(=O)Nc3cc(C)on3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740949499 IYDFCKCWFKCSQW-JOCHJYFZSA-N 459.551 1.562 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCN1CCOCC1 1740960098 KZIUFVDMAXQPBF-UHFFFAOYSA-N 491.637 1.463 30 10 JDEE CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)C(=O)OC(C)(C)C 1746324615 ATSOWIZLYOPECP-QRWLVFNGSA-N 470.571 1.879 30 10 JDEE CCN1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1746417786 AFOGGNHISCTXKT-QFIPXVFZSA-N 464.618 1.901 30 10 JDEE CCN1CCN(C2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NCC(F)F)CC2)C1=O 1746455253 GOCHZLJEWVGZAQ-UHFFFAOYSA-N 486.527 1.924 30 10 JDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1748729999 BDVOFAVDWHSJDD-UHFFFAOYSA-N 451.575 1.268 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1748752462 XTKTYJFTUIABKA-MSOLQXFVSA-N 451.593 1.156 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1748824225 LSMBCQXJZBGLHS-SCTDSRPQSA-N 479.990 1.726 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccnc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1748824774 SUONYAVMUQCKEW-HNNXBMFYSA-N 457.478 1.903 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C(=O)N(CC)CC)cc2)CC1 1748989639 AEBCSYQRQKMSBQ-NRFANRHFSA-N 463.586 1.515 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2([S@@](C)=O)CC2)CC1 1749003610 OZBUWQVMFQQQFE-UUWRZZSWSA-N 485.610 1.839 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1749009952 NCDHTUDSUMQNDF-ZBJSNUHESA-N 451.531 1.038 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(CS(C)(=O)=O)cc1 1749575021 KEHACPRRQSOVDG-IBGZPJMESA-N 464.613 1.952 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)N2CCCCCC2)C1 1749697352 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C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1760346056 FYXMQXUNLDHDDU-SIKLNZKXSA-N 461.588 1.939 30 10 JDEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760370751 CRJCNKLPQAFJTC-UHFFFAOYSA-N 476.965 1.888 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCN(C(C)=O)CC2)C1 1760537810 QLXOQIJEVVNVCG-URXFXBBRSA-N 476.622 1.264 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(N2CCNC2=O)CC1 1760553978 NTJAURJRTDAVGA-UHFFFAOYSA-N 459.576 1.243 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1760554482 FBEOBLDPQKJCOS-XWTMOSNGSA-N 456.634 1.796 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1760557565 PKSCXRJHULYYAR-QGZVFWFLSA-N 461.588 1.340 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(Br)cc1 1761501006 DOFBDVJSXOHXSK-BBRMVZONSA-N 483.392 1.622 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1770735079 DKFNAPIKCKZXDU-MAUKXSAKSA-N 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CC(C)(C)OC(=O)N1CC(O)(C(F)(F)CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2288535794 HFHJAISWTZTFNS-UHFFFAOYSA-N 472.294 1.926 30 10 JDEE CCn1c(N2CCN(C)CC2)c(C=C2SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 2314462262 QPZPMAAWPIXOKV-UHFFFAOYSA-N 461.569 1.086 30 10 JDEE NC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccccc1C(=O)O 2325917742 FVORTCSFTWPCBL-KRWDZBQOSA-N 478.534 1.952 30 10 JDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337183751 MMADOSFHHYGGLC-UONOGXRCSA-N 450.345 1.083 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](C(=O)O)[C@@H](C)OCc2ccccc2)n1C 2362340725 PAXXTLUZTJLZHJ-PBHICJAKSA-N 457.336 1.816 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C(=O)O)[C@@H](C)OCc2ccccc2)n1C 2362493121 PAXXTLUZTJLZHJ-RHSMWYFYSA-N 457.336 1.816 30 10 JDEE COc1nc(N2CCN(C)C[C@H]2CNC(=O)C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1 2365343734 DTNBZLUJPCXUAQ-CYBMUJFWSA-N 458.290 1.188 30 10 JDEE Cc1scc(C(=O)NC[C@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 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C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1286536672 RIUHBQIKKJKNOL-GJZGRUSLSA-N 491.456 1.930 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C(N)=O)c1 1286554787 IJMMFGMQEWSCOR-ZCNNSNEGSA-N 473.599 1.897 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccco1)N(C)C 1286581090 FDMKZPJLQKHMCQ-MJGOQNOKSA-N 466.608 1.909 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(O)c1 1286772306 AVRQAXUBFAWPOT-GOSISDBHSA-N 451.549 1.004 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(F)(F)F)C1 1286786359 CLLKKCQPXBHTNF-HNNXBMFYSA-N 477.447 1.262 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2cc(C)on2)CC1 1286820221 HMXLEGQPAZUPBK-LJQANCHMSA-N 464.592 1.739 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1286822973 PYBDOELSUKQNNW-INIZCTEOSA-N 479.632 1.275 30 10 JDEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCNC(=O)[C@H]1CC 1286828213 JEXPSGQVGOVMJW-MRXNPFEDSA-N 463.633 1.872 30 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C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCOc1ccc(F)cc1 1301459041 OPGIOSPVWGLWRG-SFHVURJKSA-N 453.540 1.841 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1301483643 SFHCASPLEGNERG-UHFFFAOYSA-N 492.584 1.998 30 10 JDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1301612238 KUDSOLZUDDHQCS-ROUUACIJSA-N 471.649 1.332 30 10 JDEE CC(C)(C)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1302005163 APALHFXUWIVYPX-HXUWFJFHSA-N 468.558 1.839 30 10 JDEE CCOCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1314283346 CZCAJSAPJFZOEJ-DYESRHJHSA-N 468.624 1.804 30 10 JDEE COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1Cl 1315496844 ICXMEWPHNDGFGH-CABCVRRESA-N 451.936 1.619 30 10 JDEE COCc1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)c1 1315855617 GRGRNQGMFMLZBY-NFBKMPQASA-N 488.614 1.936 30 10 JDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)c1 1355983967 KIAWSULODWAMPG-UHFFFAOYSA-N 459.524 1.325 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccccc1F 1358948829 MMMDIVLQSHCTHG-SFHVURJKSA-N 467.592 1.753 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1358957390 UBBDITYUIYCYNF-BWAGFHJFSA-N 466.604 1.106 30 10 JDEE C#CCN(c1nnc(CC)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)[C@H]1CCS(=O)(=O)C1 1358963894 PQLXOZYBWGRSRL-PMACEKPBSA-N 471.583 1.633 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1358965177 PJSXOWHHNUVBLJ-RTBURBONSA-N 464.613 1.753 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN/C(O)=C1\N=CC=CC1=O 1358979327 JJTHGZXWVFWMFE-SSRRSSPNSA-N 458.478 1.390 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cccs2)CC1 1359287794 WKPNWRWECKUOAF-KRWDZBQOSA-N 452.606 1.181 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1359298873 OFTMCIJDKGPJPW-IBGZPJMESA-N 452.559 1.353 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1359304691 GKRPYHJQWRHYEW-UHFFFAOYSA-N 485.564 1.043 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@@H]2COCCO2)C1 1359314790 HYAFUFSMIBDRMA-RBUKOAKNSA-N 462.572 1.935 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCNC(=O)[C@@H]1CC 1359330702 ACVTWQRCMUHKEU-SFHVURJKSA-N 456.572 1.752 30 10 JDEE C=CCN(CC(=O)OCC)C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1434916436 HTUOGCFLEVEWKE-UHFFFAOYSA-N 456.517 1.435 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1 1475369356 ZIOPWLGIUYTFHV-KRWDZBQOSA-N 453.561 1.907 30 10 JDEE CN1CCCC(C)(C)[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1503679870 GRXJCFKQSAZQAZ-XGHQBKJUSA-N 483.614 1.173 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1507622053 ATWPRKOXCXODFV-OXJNMPFZSA-N 465.601 1.012 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507627597 DYPDMKFSDLXXQL-PKTZIBPZSA-N 496.637 1.800 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N[C@H](C)CC 1507652687 MLUYEOVESZJDMM-MOPGFXCFSA-N 472.590 1.964 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)C 1507711418 UTYISFSLGNSWCP-GOSISDBHSA-N 478.594 1.445 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccnc2OCCC)CC1 1507718060 AGXSWOVBARWYDW-XMMPIXPASA-N 454.575 1.918 30 10 JDEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1507865379 BAQKWKNSAYUKRY-UHFFFAOYSA-N 463.951 1.026 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(O)c1 1508018266 BHFJXYDNMJEDNA-LJQANCHMSA-N 463.560 1.552 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1508071597 KOPJUYYZUAEFRL-UHFFFAOYSA-N 479.585 1.557 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1508086131 XYFAGTVDHNPRLK-UHFFFAOYSA-N 493.543 1.433 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@@H]1C 1508088922 CSQXKLWHSPMWLI-JKSUJKDBSA-N 450.540 1.114 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cnn(C)c2)C1 1508119545 XAFPDVYARSWUCS-LJQANCHMSA-N 471.587 1.759 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1508143179 FHAYNANZVWFWBQ-UHFFFAOYSA-N 493.655 1.802 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC([C@H]2CCOC2)CC1 1508143476 LNYCSOLPTDQOMX-SFHVURJKSA-N 451.593 1.254 30 10 JDEE CC(C)CN1CCC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)C1 1509406001 GGSPKQADQZDXTM-SLFFLAALSA-N 481.667 1.717 30 10 JDEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ncnn1C(C)(C)C 1517467151 GKBXFNMHMJBCFZ-MRXNPFEDSA-N 465.562 1.942 30 10 JDEE CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)C1 1519515708 DPPFOMBVTIYIFX-RBUKOAKNSA-N 493.611 1.319 30 10 JDEE CS(=O)(=O)C[C@@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1522162429 GBHHBRAAEYDBFJ-SFHVURJKSA-N 453.586 1.385 30 10 JDEE CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 1529118845 FRSHKDQZQILKMI-UHFFFAOYSA-N 458.588 1.902 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1539221845 RILFDRKHLBXKFW-QUCCMNQESA-N 471.583 1.633 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539225054 LKIJATFBTNCBFC-OAQYLSRUSA-N 499.637 1.953 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1539229619 FLWZRXDQRDQGND-GTJUCTONSA-N 490.651 1.828 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1539231633 WJAICFQQVKRRMC-PKOBYXMFSA-N 457.556 1.638 30 10 JDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539714510 JYLUPFPMTMCDOL-UHFFFAOYSA-N 471.587 1.117 30 10 JDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1539714541 KZJHMKBOIJTWST-SFHVURJKSA-N 450.609 1.807 30 10 JDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1539759013 WMKUMSUAHOEQDY-IFMALSPDSA-N 487.649 1.372 30 10 JDEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1539829802 FWMGOLKRXVGYGL-QFIPXVFZSA-N 459.572 1.853 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)ccc2C1 1540897921 VSLVRGZBUZSSQK-AWEZNQCLSA-N 471.580 1.191 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C(C)C)C1 1540901508 GAUFBDCXZXOQLM-QGZVFWFLSA-N 451.549 1.468 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC2CCCCC2)CCO1 1554442835 CQCYPNVYJMOYCE-FQEVSTJZSA-N 465.558 1.607 30 10 JDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1554489144 DNDPRWTZTYIFQN-OAQYLSRUSA-N 478.557 1.584 30 10 JDEE COCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CCOCC1 1555299306 HIQKDTNCYAWLFZ-NRFANRHFSA-N 468.558 1.601 30 10 JDEE N#CCCN(CC1CC1)c1nnc(CN2CCCC2=O)n1C[C@@H](N1CCOCC1)C(F)(F)F 1555995457 HVLIZUGUIIKWBJ-QGZVFWFLSA-N 469.512 1.794 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ncccc2F)CC1 1587706570 RBFZDHVOYFTYCR-QGZVFWFLSA-N 463.583 1.943 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1587765147 BHTQNWJFKUFZTG-RBUKOAKNSA-N 480.635 1.300 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588029555 IXRXPAQITTYBQU-HOIFWPIMSA-N 474.587 1.349 30 10 JDEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1588054250 MOHIAJMPPAVTFZ-LJQANCHMSA-N 473.603 1.115 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(CS(C)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 1588074096 IPPDGZZZQFYTQZ-VQTJNVASSA-N 492.623 1.349 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(F)cc2Cl)CC1 1588742387 RGMHAHKPNAKGNN-OAHLLOKOSA-N 468.986 1.679 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCN1CCC[C@H]1CO 1589150543 GYIOHAJTADJEKY-BBTUJRGHSA-N 452.625 1.117 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)NCC)CC1 1595496715 FGKRXASFLCUJJX-UHFFFAOYSA-N 457.535 1.116 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(=O)OC)C1 1595538103 ZTRQBPVPCSLJDX-MRXNPFEDSA-N 479.541 1.367 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1595737581 DEFVCVLUMCJYCY-HXUWFJFHSA-N 468.583 1.935 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1595788720 HVFZIYFBJAGGMO-KDURUIRLSA-N 489.646 1.662 30 10 JDEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)C)CC1 1613441530 FSNFYXZZSYSWQG-LJQANCHMSA-N 480.617 1.626 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCCN3CCNC3=O)cc2C)cc1 1634855368 OMHKJTWMJZOOPS-UHFFFAOYSA-N 456.524 1.563 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(Br)cc(Br)c2N)CC1 1640201595 KNQMURBPSJGCTG-UHFFFAOYSA-N 458.154 1.301 30 10 JDEE C=C(C)CN(C)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1641804325 RZWZJMICTYEMAW-UHFFFAOYSA-N 457.980 1.996 30 10 JDEE C=C(C)C[C@H](NS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC)C(=O)OCC 1665221692 OOZJDHPKDHIWCM-OTWHNJEPSA-N 454.545 1.840 30 10 JDEE C=CCNC(=O)c1ccc(NC(=O)N[C@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)cc1 1668210601 UHRHKKNLBXIQBP-FQEVSTJZSA-N 453.547 1.945 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(C)CN(C)C2=O)c1 1689868731 PNMFJOYJKANFSY-RUZDIDTESA-N 486.536 1.460 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1689977878 FZZRPFDPHYDAHJ-ZWKOTPCHSA-N 471.587 1.036 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1689982927 XFLKBRLSZQNWNW-KPDCDPCYSA-N 453.568 1.995 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689985757 AUJIJLBIGKWMCE-GUNSETOZSA-N 451.618 1.458 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1689998642 SBACMODGEZNZLS-WOJBJXKFSA-N 471.583 1.359 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(CN3CCO[C@@H](C)C3)c2)CC1 1690109498 UCMXQKSUOZQVAU-NRFANRHFSA-N 479.629 1.441 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(-n3cncn3)c2)CC1 1690112024 OKYCPBSRDRAPGF-LJQANCHMSA-N 450.547 1.386 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2Cc3ccccc3C2)CC1 1690154966 BOTPUVLNAPRGOY-GOSISDBHSA-N 488.683 1.544 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690188239 GFONIPSXXQQVPH-KSZLIROESA-N 476.603 1.135 30 10 JDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1690365753 FQAWMHXTUYRXCH-XMMPIXPASA-N 468.558 1.350 30 10 JDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690474195 VKSHYFNUVZDCEU-UHFFFAOYSA-N 467.617 1.787 30 10 JDEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)N(C)C 1690573877 HENGKQPTJCVKSI-UHFFFAOYSA-N 452.606 1.660 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1690669473 GGROGFQRZMGDTH-SJORKVTESA-N 470.509 1.071 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCS(=O)(=O)CC)C1 1690700170 OJNLIIBEYYYVEN-MSOLQXFVSA-N 499.634 1.803 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1690720197 ASDHMNBVGQSTBD-UHFFFAOYSA-N 499.597 1.603 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1690722980 DFQBETDYGGKIOE-FQEVSTJZSA-N 489.598 1.886 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2[nH]ccc2c1 1705494898 HXQGNVFOUUGDNF-JXFKEZNVSA-N 456.572 1.793 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCN2CCCO)c1 1705506089 ZPILFNISQGSOHC-SFTDATJTSA-N 479.585 1.132 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1705558735 GTGPYPPSGSPWLS-ZWKOTPCHSA-N 464.636 1.163 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CC[C@H](N1CCOCC1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705561634 VHSUBUUPEQJMEY-IRXDYDNUSA-N 491.580 1.856 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2nccs2)CC1 1705645579 YCSMRVRXIKKWLX-CABCVRRESA-N 479.632 1.114 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1705655257 JFRYNEAWBGTTBB-QGZVFWFLSA-N 490.655 1.619 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705670353 QQEWMLAKIMSQDQ-HTAPYJJXSA-N 491.639 1.622 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CC(C)C)c1C 1705844091 VSSYFEFYWDDJKO-GOSISDBHSA-N 451.597 1.442 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1705900692 MFSXEKIKOMLUDL-MRXNPFEDSA-N 494.556 1.209 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1705939002 PHTPVPSMXHIRBC-GOSISDBHSA-N 461.592 1.464 30 10 JDEE COc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2CC2(O)CCS(=O)(=O)CC2)cc1 1711874543 IBXSAAZXZXIJOV-INIZCTEOSA-N 463.560 1.401 30 10 JDEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C1 1712707686 BJJYVBNMSMQKFM-KRWDZBQOSA-N 471.587 1.109 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCC(CCCO)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1712878246 BBFZAPOBAAQZNF-QFIPXVFZSA-N 459.572 1.355 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccnc1OCCCC)[C@H]1CCS(=O)(=O)C1 1722360054 CLXDVGATZMUGPH-FQEVSTJZSA-N 483.598 1.928 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1722367655 NLZOYYQNTKVOCZ-QGZVFWFLSA-N 498.609 1.634 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1722442097 XZOWCCVMYJRGTJ-PGUFJCEWSA-N 496.637 1.407 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cscn2)CC1 1722493476 YUBGLBXVHVXGHY-LNLFQRSKSA-N 495.675 1.648 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1722557606 YCIWXZJARSCFDN-HOCLYGCPSA-N 455.972 1.091 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1722725800 SKNOMCIOVGYMCR-FQEVSTJZSA-N 473.647 1.546 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1722727470 ITVGQKZTJDFTBY-KRWDZBQOSA-N 463.608 1.475 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CC1(N(C)C)Cc2ccccc2C1 1723910344 FIRIJEUTVDVXEM-IRXDYDNUSA-N 459.620 1.726 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CCN2CCOC[C@H]2C)c1 1740561508 GGOISZKBSWRERB-IBVKSMDESA-N 496.612 1.707 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC[C@@H]2CCOC2)CC1 1740690680 ZOGIGTNJOQBSMU-IBGZPJMESA-N 453.547 1.124 30 10 JDEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N1CCOCC1 1740932266 KRCOTQLXFREXHG-UHFFFAOYSA-N 466.590 1.879 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ncccn2)CC1 1740953575 KNJMLIHMCWKVIC-UHFFFAOYSA-N 472.351 1.455 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1740963725 VMNOBZFAEZPILD-UHFFFAOYSA-N 476.603 1.294 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1748719502 ZZAHERRTAURJLA-OALUTQOASA-N 480.635 1.157 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1748822086 XJZOSTFZKMXCPX-IRXDYDNUSA-N 451.618 1.170 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCc1ccc(S(N)(=O)=O)cc1 1748852546 GKGIWOOQORKRJA-UHFFFAOYSA-N 473.562 1.480 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccc(Cl)cc1 1748858246 NMCIWKNFZGQTSE-WOJBJXKFSA-N 492.001 1.725 30 10 JDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1748913007 NUOGYBFAXDMARD-QFIPXVFZSA-N 461.588 1.688 30 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JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2noc(C)n2)CC1 1539981270 FECIXABGHBCZJZ-OAHLLOKOSA-N 452.585 1.258 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1540873024 KLRYDZDUDOUALP-NQIIRXRSSA-N 485.658 1.612 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2nccs2)C1 1540892242 IFXRUFRAJIZFRR-HZPDHXFCSA-N 468.605 1.092 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1540905537 WYEQFQZVBHTRKO-INIZCTEOSA-N 472.537 1.938 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H](C)C1 1540986996 UTVVFRJSLSLVAD-BLRPHQBRSA-N 464.530 1.232 30 10 JDEE C[C@@H](C(=O)N1CCCC1)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CC1 1541121300 HBAFODCLWGOOOS-IBGZPJMESA-N 499.641 1.384 30 10 JDEE CC(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)CC1 1541629960 GKYJCNTVVORCMM-FQEVSTJZSA-N 453.591 1.980 30 10 JDEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2OCC(F)(F)F)CCO1 1555992877 DAZBTERPONAEDD-GJZGRUSLSA-N 450.421 1.947 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)n1 1556460927 JBQRINKMMYYCTH-UHFFFAOYSA-N 458.462 1.489 30 10 JDEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1587712686 ZFWLDGTZMPRGMD-KRWDZBQOSA-N 478.644 1.973 30 10 JDEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1587937753 UCJICBUFIXXRHC-SFHVURJKSA-N 453.362 1.635 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1588025406 YSMSFSRBCOTUJA-SFHVURJKSA-N 457.556 1.220 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](N1CCOCC1)C(F)(F)F 1588171091 UIXKDQNJFMMGLS-KSZLIROESA-N 455.481 1.338 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC(=O)NCCC)CC1 1588955455 XSCHZZBDQZYGMR-UHFFFAOYSA-N 461.570 1.842 30 10 JDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1589042764 NDDHXCKFUZDGAM-GOSISDBHSA-N 478.644 1.281 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1589579417 LCUSZUFSMPAQEF-OEMYIYORSA-N 454.593 1.535 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1594096755 GVQLFWKMFFAPKN-ZWKOTPCHSA-N 498.650 1.928 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1595536992 KUJLXAOKTBUZLI-QAPCUYQASA-N 467.530 1.685 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1595537237 OEUATBKNBPHYIC-IRXDYDNUSA-N 462.913 1.902 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-n1ccnc1 1611307616 DNPBIEXEPBMNDE-FXAWDEMLSA-N 484.586 1.583 30 10 JDEE CCc1ccc(O[C@H](C)C(=O)N2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)cc1 1615504704 FZRPQFBFTUHUAT-GOSISDBHSA-N 456.568 1.901 30 10 JDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC1 1617356590 HYXIWPHKUVOCBD-UHFFFAOYSA-N 471.587 1.251 30 10 JDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cc(F)c(F)cc1N1CCOCC1 1634962518 GSSHMVHRDFZQQV-ZDUSSCGKSA-N 450.467 1.979 30 10 JDEE C#CCN1CCC(NC(=O)c2cc(I)ccc2N2CCOCC2)CC1 1645781599 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C#CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1748816140 XMHGYQKAPMFHDO-QZTJIDSGSA-N 493.630 1.544 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(O)CCN(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1748819371 NUTUMMSQTGITGD-OAQYLSRUSA-N 486.642 1.126 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)S(=O)(=O)CC)CC1 1749009499 BWLUMJHBHRPIFQ-UHFFFAOYSA-N 497.625 1.454 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1749010158 OLXGGSGSASRTLY-HXUWFJFHSA-N 455.651 1.928 30 10 JDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1749038482 KJGSFJYQKWJYCR-ROUUACIJSA-N 455.650 1.994 30 10 JDEE C#CCSCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1749049683 OJLYPBRIZBHATA-LSDHHAIUSA-N 487.558 1.498 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1749230520 YMASMISNJXYXLC-NNWRFLSQSA-N 460.623 1.754 30 10 JDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1749458136 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C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1760365712 GJGBARCVMKPDEA-INIZCTEOSA-N 495.993 1.309 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1760450748 RCYFCHJWZLRCKG-QGZVFWFLSA-N 452.581 1.334 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760518706 DFMKIQAFUXXNIP-UHFFFAOYSA-N 465.602 1.554 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1760555086 WGXOEVKTOWOIAL-KZNAEPCWSA-N 456.634 1.798 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1760555198 ZRUKZOATPJTZGD-IRXDYDNUSA-N 450.492 1.723 30 10 JDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCC(O)CC1 1763038684 FSKZZFGTOYICEX-GOSISDBHSA-N 467.574 1.242 30 10 JDEE CC(C)[C@@H](NC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1)C(=O)O 1858977235 KGDZNJBKDITCSP-LJQANCHMSA-N 472.523 1.628 30 10 JDEE CCOc1cc(N2CCOCC2)c(OCC)c2c(=O)c(C(=O)N(CCC#N)[C@@H](C)C(=O)O)c[nH]c12 1866450013 RFZLDRNYTSVNCC-HNNXBMFYSA-N 486.525 1.991 30 10 JDEE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(C#N)nc1 2006287816 OTQOKDNVVLWQAT-UHFFFAOYSA-N 455.537 1.650 30 10 JDEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256621109 QLBMXTHGVQGKSG-ZDUSSCGKSA-N 454.402 1.513 30 10 JDEE Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256625449 WYYYUOSBSNADQX-UHFFFAOYSA-N 450.330 1.592 30 10 JDEE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2C(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1 2267183232 FFEJFVFSHIWQLT-UHFFFAOYSA-N 470.397 1.859 30 10 JDEE CC(C)(C)OC(=O)NC1CC(CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267358020 BZRASMYTZQAEDP-UHFFFAOYSA-N 467.397 1.962 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2267372378 NJEUPGSUJKDYGV-KGLIPLIRSA-N 488.437 1.696 30 10 JDEE CC(C)(C)OC(=O)NC[C@H](O)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267471043 DFOCLKDFJFCNEE-AWEZNQCLSA-N 490.815 1.803 30 10 JDEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 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472.571 1.385 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1705572089 QNRJOZDNEAQZIQ-HLIPFELVSA-N 450.586 1.726 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCOC[C@@H]1OC 1705584928 DLOWXSRCTQWWTH-NOZRDPDXSA-N 476.625 1.767 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@]2(C)CN(C)C2=O)n1 1705631812 QXSRHXDMNVUEJF-JPYJTQIMSA-N 455.563 1.133 30 10 JDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1705829855 DHWOEQGNJGESLY-KSEOMHKRSA-N 460.623 1.754 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1705843363 CXYMTYKEMWZTDV-OTWHNJEPSA-N 454.641 1.601 30 10 JDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1712094164 BHKCXYRYFWYNQZ-PWRODBHTSA-N 454.531 1.210 30 10 JDEE CS(=O)(=O)N1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)C1 1712703410 BBCRRWQPIQWNHT-NVXWUHKLSA-N 484.504 1.866 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCNS(C)(=O)=O 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C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722480871 UNNLAAICAQFEAQ-HHXXYDBFSA-N 499.454 1.900 30 10 JDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1722534870 YJKHPAWNGYMRMU-UHFFFAOYSA-N 495.628 1.797 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2cccc3c2[C@H](CCC3)C1 1722690038 DELQGUDPEFIIKA-MAUKXSAKSA-N 458.588 1.631 30 10 JDEE C=CCn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722691053 PBQMJFYHTYBWQC-HDICACEKSA-N 461.611 1.881 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@H](C(=O)NC)C1 1722691163 OSANVXHKWKMWIU-WMZOPIPTSA-N 490.992 1.942 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1722693762 ZMPBIOYMXNYQGO-LAUBAEHRSA-N 496.572 1.144 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1722701107 GKNPEUFVDWWLEL-KNQAVFIVSA-N 468.602 1.531 30 10 JDEE C=CCOc1ccc(Cn2c(Nc3ccn(C)n3)nnc2[C@H]2CN(S(C)(=O)=O)CCO2)cc1 1722730830 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488.614 1.429 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1749737218 ZOMNRPNJQHNFNP-NRFANRHFSA-N 463.535 1.640 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(O)cc2)CC1 1749740351 CZIUFQYAJKMCCO-RXVVDRJESA-N 491.614 1.635 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCC(=O)NC2CC2)c1 1760128605 NITBUMOISYXXRN-IBGZPJMESA-N 463.542 1.344 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1760180763 KSBWXEPDAJMJEJ-LBVMUVSTSA-N 480.631 1.905 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1760185404 WVWWGDPETBSBBW-FOIQADDNSA-N 495.399 1.486 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1760210742 VWHSXTPNSUJIKU-RTBURBONSA-N 485.614 1.020 30 10 JDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 1760243207 YBSHKDFEHPDREX-IKGGRYGDSA-N 461.588 1.907 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(NC(C)=O)c2)CC1 1760270415 XDDKGUXJQIXBRD-FQEVSTJZSA-N 498.609 1.153 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(OC)CCOC2)CC1 1760273525 XHGCYDXVPGLIRE-FHAGJXEFSA-N 473.618 1.968 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCS(=O)(=O)CC1 1760289173 JGNMEFHQGYKNKY-OAQYLSRUSA-N 492.623 1.280 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1760450600 ODRDYKDOXJXOGP-QZTJIDSGSA-N 467.636 1.904 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1760510142 HOEABHWQDUUMGJ-SFHVURJKSA-N 477.547 1.032 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)Cc3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760528987 SPERETUBMNATBZ-SANMLTNESA-N 496.612 1.512 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(N2CCCCC2=O)CC1 1760552135 CWPXNJOXOWQHIH-UHFFFAOYSA-N 458.588 1.922 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(CN2CCOCC2)CC1 1760559882 UQVUAUGRRCBEQI-LJQANCHMSA-N 453.609 1.279 30 10 JDEE CCCCN1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1764144578 HGFZRPZHBATNRP-KZNAEPCWSA-N 453.613 1.272 30 10 JDEE CN(C)C(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)c1 1768426874 APDCKKDJSDPEGZ-UTKZUKDTSA-N 460.535 1.372 30 10 JDEE C=CCn1cc(OCCN2C(=O)c3ccccc3C2=O)c(=O)cc1CN1CCN(CC)CC1 1870377930 CIVMPWZZZCZRLN-UHFFFAOYSA-N 450.539 1.847 30 10 JDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874433061 BHHQXIZJGKTCLI-LSFURLLWSA-N 457.472 1.706 30 10 JDEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C#CCN(C)C)cc1 1891787263 HLISYEUWYIPJKY-FQEVSTJZSA-N 451.589 1.140 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1c1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2254791499 GREKOHXYGMHVPO-UHFFFAOYSA-N 453.370 1.768 30 10 JDEE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)COC1 2255941777 KDTJFKJBZBCQFT-UHFFFAOYSA-N 474.410 1.619 30 10 JDEE C=C(CS(=O)(=O)N1CCC(CO)(NC(=O)OC(C)(C)C)CC1)B1OC(C)(C)C(C)(C)O1 2255955316 MBLYQTDCHLYOKA-UHFFFAOYSA-N 460.402 1.855 30 10 JDEE CC(C)(C)OC(=O)NC[C@@]1(O)CCCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267135672 FKMDVIDXMKWYQC-NRFANRHFSA-N 450.345 1.201 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)n1 2267471771 KFYKFWJWRLILIF-VGOFRKELSA-N 458.393 1.272 30 10 JDEE C[C@H](O)CN(CCNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C(=O)OC(C)(C)C 2267501764 CPUQYUFSLKCGRH-AWEZNQCLSA-N 452.361 1.067 30 10 JDEE CC1(C)OB(c2cc(C(=O)N3CCC[C@@H]4CC[C@@]43CNC(=O)C(F)(F)F)[nH]n2)OC1(C)C 2281991309 YKRSPIFLKCMQFK-CWTRNNRKSA-N 456.274 1.772 30 10 JDEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282030180 BQJCUTLZKAYHQC-MRXNPFEDSA-N 462.356 1.484 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2282330605 BOKWAMHGNGPFEK-ZNMIVQPWSA-N 482.412 1.396 30 10 JDEE CN([C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282340607 IACPTQMEKUSILJ-HALDLXJZSA-N 482.412 1.205 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 2282343899 IHJKHLVDIVZFBK-UHFFFAOYSA-N 484.428 1.739 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1[C@H]2CC[C@@H]1CN(C(=O)OC(C)(C)C)C2 2282349642 BPPHMMZJRYUCRD-GASCZTMLSA-N 482.412 1.492 30 10 JDEE CN(C)CCN(CCNC(=O)OC(C)(C)C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282530501 VMZYEBYLVDZKDN-UHFFFAOYSA-N 465.404 1.248 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@]2(CCOC2)C1 2282579188 BAGVOVVRITYPOZ-RCDICMHDSA-N 462.356 1.607 30 10 JDEE C[C@@H]1C[C@H](CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN1C(=O)OC(C)(C)C 2282859069 HNJGAAAHJYGUAA-ZIAGYGMSSA-N 485.416 1.038 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282860571 CNSUDLIENPLEFQ-ZWKOTPCHSA-N 482.408 1.946 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2284058558 NTLOEXGBDYFKRS-GVDBMIGSSA-N 466.315 1.405 30 10 JDEE CCOC(=O)CN(Cc1ccccc1)S(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2284418269 WFPSUTYKYPNKRE-UHFFFAOYSA-N 477.392 1.782 30 10 JDEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2nccs2)ccc1O 2330747813 NWBQHEQIVUXPER-UHFFFAOYSA-N 461.529 1.698 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 2362355497 JXSUKZQAKVASHE-QFIPXVFZSA-N 464.372 1.211 30 10 JDEE Cc1scc(C(=O)NC[C@@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2369533184 KRQYNXWHERTOPI-HLLBOEOZSA-N 482.408 1.427 30 10 JDEE COCCCn1c(=O)/c(=C/c2ccccc2Br)s/c1=C(/C#N)C(=O)N1CCCC1 3284758 MGGZCEMZBMVAHD-KLGIMIIGSA-N 476.396 1.834 30 10 JDEE COc1cc(/C=N/Nc2nnc(SCC(=O)NCc3ccco3)n2N)cc(OC)c1OC 20827264 JAXRMMGMMQJHDA-LSFURLLWSA-N 461.504 1.465 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)NC[C@H]3COc4ccccc4O3)cc2C1=O 22067403 GFUNMARHEPXSEW-ZBFHGGJFSA-N 450.447 1.970 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4ccc(S(N)(=O)=O)cc4)CC3)cc2C1=O 642371950 VJTGSBVHBYLWIS-UHFFFAOYSA-N 454.508 1.078 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(OCC(=O)N(C)C)c(OC)c3)cc2C1=O 642556016 YXEMNTXXBLLDOV-UHFFFAOYSA-N 451.479 1.874 30 10 JDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 729885065 VACXBPPHDYYJOU-LGUFXXKBSA-N 457.487 1.765 30 10 JDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1136009333 NJZVTJJXFAKILY-KRWDZBQOSA-N 459.572 1.707 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286390478 BBOVUMOCXRXKPA-GOSISDBHSA-N 479.628 1.192 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1286395758 UNSVMOKTRNWVEY-GOSISDBHSA-N 484.582 1.692 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1286396704 YALKGKFTDXBPSD-HXUWFJFHSA-N 489.667 1.553 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1286397878 DILFQSMVYJEEAZ-HDMKZQKVSA-N 487.573 1.205 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncc(CC)s1 1286429650 DNQPLBGCAAQVTA-KRWDZBQOSA-N 462.601 1.141 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@@H]2COCCO2)CC1 1286486868 QPDNDPOFVTXUHX-JOCHJYFZSA-N 494.596 1.919 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCNC(=O)C(C)C)CC1 1286487269 MFZWMAUFEKYPPH-UHFFFAOYSA-N 481.557 1.981 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](N1CCOCC1)C(F)(F)F 1286516346 GETGWFSYQNLHPZ-RLFYNMQTSA-N 478.541 1.144 30 10 JDEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCNS(C)(=O)=O)CC1 1286664808 HXOBYFIILICRSI-UHFFFAOYSA-N 452.606 1.611 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286667170 HFRKPVPSYDEZKG-SFHVURJKSA-N 481.667 1.235 30 10 JDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1286706039 JFSUQDXHAZKHEK-NRFANRHFSA-N 460.560 1.533 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286744116 ARMFLQSDJOLZBG-UWJYYQICSA-N 450.536 1.663 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286780458 UNPMOMNIIWVNST-SFHVURJKSA-N 463.560 1.278 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286784039 UVSKRQLLUCGSOH-XMMPIXPASA-N 497.556 1.079 30 10 JDEE C=CCS(=O)(=O)CCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1C1(c2ccccc2)CCC1 1286824744 HTLJVKZBAJRASZ-LJQANCHMSA-N 478.640 1.972 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCC1(O)CCOCC1 1291194907 GZPCSAPPJYPPND-QGZVFWFLSA-N 454.579 1.884 30 10 JDEE CC[C@@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1291598358 BCFMJDIZIWTZKS-ZHRRBRCNSA-N 476.578 1.679 30 10 JDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 1293765854 CKPJROIARHBJLZ-WIYYLYMNSA-N 456.568 1.285 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N2CCNC2=O)CC1 1300391185 IYMZQEHRWGBBCY-UHFFFAOYSA-N 456.572 1.756 30 10 JDEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1300483884 ORVOSZVEEJWSSW-IBGZPJMESA-N 455.584 1.463 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1300485169 XZCNQZHOYAEHNS-IRXDYDNUSA-N 466.535 1.574 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1300502862 YSXMUPZQJBWAAC-INIZCTEOSA-N 476.628 1.289 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCO[C@@H]1CCOC1 1300575008 PIGQCKIHYXBIQH-LJQANCHMSA-N 470.599 1.897 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCS(C)(=O)=O)CC1 1300690925 LIQVLUALKXZIBM-UHFFFAOYSA-N 482.404 1.516 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)C(=O)NCC2 1300916523 YDRZPXKNOGMJEQ-HXUWFJFHSA-N 488.614 1.348 30 10 JDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCNC2=O)CC1)c1ccccc1 1301003051 COHHVLITDLNFAX-SFHVURJKSA-N 487.630 1.986 30 10 JDEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301017933 QDQDHUYPRQHAKW-HOTGVXAUSA-N 474.949 1.716 30 10 JDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1301477453 AUVQAVDAXNNMRF-HXUWFJFHSA-N 451.575 1.631 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(F)ccc2C1 1301588642 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C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359101112 KNRLNCFNSSGVJX-REWPJTCUSA-N 453.591 1.455 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359189649 QHRIWCBGHDJXGY-HRAATJIYSA-N 466.608 1.072 30 10 JDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1359285729 DTSYPWNKGXUETG-SFHVURJKSA-N 477.587 1.779 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1359299940 QCHNGDXPDVGDRQ-IAGOWNOFSA-N 489.374 1.872 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 1359324954 VHFKIZAOIVWWJT-FQEVSTJZSA-N 473.599 1.775 30 10 JDEE C#CCN(CC(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1)C(=O)OC(C)(C)C 1443566779 HKXSCBPXFVCHOL-QGZVFWFLSA-N 453.536 1.965 30 10 JDEE C#C[C@@H](CO)NC(=O)[C@@H](CCSC)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 1450337575 FIDWISLXWRFFIO-WCQYABFASA-N 458.911 1.869 30 10 JDEE Cc1ccc(OC(F)F)c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1492302335 DSEYVNMLINUDOZ-ZBFHGGJFSA-N 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30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722694962 NKKLGLAESMNPGG-UHFFFAOYSA-N 464.574 1.702 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1722695238 XNWMGTVVYJYBIA-SJLPKXTDSA-N 457.487 1.769 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCSC2(CCOCC2)C1 1722729785 XEWWOLHELCWDOB-UHFFFAOYSA-N 463.629 1.967 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(CCCCO)C2CC2)CC1 1722796749 XZFKDDOLWKFOQJ-UHFFFAOYSA-N 451.575 1.722 30 10 JDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1730275116 DKYUNUOFULPXET-INIZCTEOSA-N 478.600 1.061 30 10 JDEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1740590752 IGYOSPYCNWSQCE-UHFFFAOYSA-N 484.988 1.443 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)NC(C)C 1740631582 VGNZZERJDBADAI-UHFFFAOYSA-N 456.572 1.183 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCN/C(O)=C1/N=CC=CC1=O 1740654619 MZRPPWHTUOVPPF-VHXPQNKSSA-N 468.521 1.506 30 10 JDEE 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461.588 1.442 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760246840 FPXJQUZOSMOHQF-QHCPKHFHSA-N 460.600 1.878 30 10 JDEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC(=O)NCC(F)(F)F)CC1 1760258443 XINAOJOOKYYKPP-UHFFFAOYSA-N 459.476 1.871 30 10 JDEE C#CCSCCn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760286686 RNGRJRZQFKMBFJ-QFIPXVFZSA-N 462.620 1.679 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[C@H]2N2CCCS2(=O)=O)CC1 1760382238 MCKWTXPTXBTWNW-RCCFBDPRSA-N 486.664 1.249 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1760440499 LGPAPTMZXQUUDV-MOPGFXCFSA-N 479.607 1.372 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccsc1)N(C)C 1760464795 PHKYHAMGQNHEEU-IRXDYDNUSA-N 454.622 1.598 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760514988 IQBKZMHXUDKGMT-LJQANCHMSA-N 497.419 1.363 30 10 JDEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(=O)NCC)CCC2)CC1 1765663891 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CC(C)(C)OC(=O)NC[C@]1(O)CCCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2266998775 IPRHRZSRANDIKT-OAQYLSRUSA-N 467.397 1.934 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)[C@H]2C1 2267151663 ZKNXSNLOZXYRSH-GJZGRUSLSA-N 465.381 1.903 30 10 JDEE CCn1cc(C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267186885 QCSPSBOTOGBDSL-OAQYLSRUSA-N 452.361 1.208 30 10 JDEE Cc1nc(S(=O)(=O)N(OCc2ccccc2)C2CNC2)c(B2OC(C)(C)C(C)(C)O2)n1C 2267418193 HVPIGGADCCZTAL-UHFFFAOYSA-N 462.381 1.122 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267720029 HOUKFEKNIDKFOH-BJWYYQGGSA-N 465.381 1.524 30 10 JDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267812701 FQRPHRTYWYRNBM-GFCCVEGCSA-N 452.313 1.012 30 10 JDEE CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268630417 KGJWPOOINORJLN-GFCCVEGCSA-N 464.357 1.057 30 10 JDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 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1.740 30 10 JDEE N#CC1=c2oc(=O)/c(=C\c3ccc([N+](=O)[O-])cc3)n2-c2oc(N)nc2[C@@H]1c1ccc([N+](=O)[O-])cc1 20457393 ZIFNNYSDLIVEDF-JDZKTDJGSA-N 472.373 1.466 30 10 JDEE C=CCn1c(=O)c(=O)n(Cc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)c2ccccc21 33272770 DJOGKLOGJSLXHX-GOSISDBHSA-N 453.520 1.314 30 10 JDEE Cc1cccc(OC[C@@H](O)Cn2c(N/N=C/c3ccccc3O)nc3c2c(=O)[nH]c(=O)n3C)c1 38165657 XSNACXVYGXICPZ-PZLKWIMZSA-N 464.482 1.323 30 10 JDEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccncc2)cc1OC 102535589 RINZLHTUKBQGNI-AGGMBTAESA-N 453.495 1.853 30 10 JDEE O=S(=O)(/N=C1\C=C2N(CCO)CCO[C@@]2(O)c2ccccc21)c1ccc(Br)cc1 102920028 ZMZXJWMGCRWNSK-WDWWVRLLSA-N 479.352 1.994 30 10 JDEE C=CCNC(=O)CN1CCN(c2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)CC1 514318845 XHWBPIBGURJWIZ-UHFFFAOYSA-N 456.856 1.724 30 10 JDEE Cc1ccc([C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)N2CCOCC2)o1 514578921 CCLGWJCZFYCUIQ-HXUWFJFHSA-N 487.582 1.549 30 10 JDEE CON[N+](=O)CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(N(C)C)cc1 585089004 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C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286393958 SIWZENJVCWJFCR-VXKWHMMOSA-N 486.642 1.247 30 10 JDEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1286421671 GDRDBTAPVYNDQW-HSZRJFAPSA-N 452.580 1.761 30 10 JDEE C=C(Br)Cn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286532683 JZINRPQXGJNVOK-LBPRGKRZSA-N 465.739 1.654 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1 1286546447 JJMYMZWVOLVAGJ-NSHGMRRFSA-N 482.651 1.171 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C(N)=O)C1 1286555022 WATGJALMFKTQDZ-HBFSDRIKSA-N 488.614 1.488 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCOCC2(CCC2)C1 1286814026 ICAPSQGKVOPPQK-UHFFFAOYSA-N 460.560 1.533 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1286814486 ASCXFZMHWWNHGO-RXVVDRJESA-N 470.599 1.574 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(=O)NC)C1 1286820675 OZSYRAMJZFQKOG-QFBILLFUSA-N 475.571 1.354 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccs2)C1 1296348177 HFLIACGJOVLNOI-KRWDZBQOSA-N 473.584 1.752 30 10 JDEE CO[C@](C)(Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C1CC1 1299498492 CUHOINBHBUVQQP-HSZRJFAPSA-N 469.594 1.472 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(SC)CC2)c1 1300330529 BZIKJCNFZFYLIE-OAHLLOKOSA-N 476.628 1.840 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(-n2cncn2)c1)[C@H]1CCS(=O)(=O)C1 1300479437 ORQCHYWIZDSBOH-IBGZPJMESA-N 453.572 1.831 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1300484255 PLMVYLOCUBDKFL-RDGPPVDQSA-N 454.593 1.180 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(S(C)(=O)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1300498318 IYXQBIUOYNLOMQ-LJQANCHMSA-N 494.614 1.602 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CCCS2(=O)=O)CC1 1300684038 WLRLVFMJBWBOCG-GOSISDBHSA-N 476.578 1.348 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300888821 MUXAHHHPNYNWFK-FBBABVLZSA-N 460.604 1.715 30 10 JDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)N2CCSCC2)CC1 1301064375 UNNBAHYDAZCPJC-UHFFFAOYSA-N 477.616 1.460 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)CCCC2)C1 1301558483 WDYLNSMTXZUXNG-ROUUACIJSA-N 453.609 1.973 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(Cc2cc(C)on2)CC1 1301577332 HWJRAYRPYIIBCE-UHFFFAOYSA-N 457.560 1.560 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CC1 1301758001 FZKXWEJDXOTECR-GOSISDBHSA-N 453.547 1.118 30 10 JDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1313488138 BVLPMJXQVCTRIU-UHFFFAOYSA-N 480.617 1.723 30 10 JDEE COc1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)cc1F 1315468152 HAVVXYOXPZPKEQ-WIYYLYMNSA-N 496.540 1.443 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)OC)c1 1316100943 ARUIRPRNMULONC-KRWDZBQOSA-N 476.559 1.773 30 10 JDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(=O)N(C)C)CCCC2)CC1=O 1316126507 GLLLFRPHCGUSQC-UHFFFAOYSA-N 479.585 1.760 30 10 JDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NCCCOC)CC1 1358928082 RTLWMOKUGDQFMY-UHFFFAOYSA-N 456.547 1.788 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1358965151 OVVIGNNXSBNJBW-MRXNPFEDSA-N 460.560 1.843 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1Cc1ncn(C)n1 1359019774 GNHQVSBVCCKTSJ-UHFFFAOYSA-N 460.336 1.979 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccccc2F)CC1 1359045050 VIYNDIKPOMBZHB-VQIMIIECSA-N 468.533 1.802 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1359300427 BFJOZZMFWISFPX-HXUWFJFHSA-N 486.642 1.583 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1359335470 MKJIUGHLEDZAHP-FQEVSTJZSA-N 490.561 1.908 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1359336904 FJJHIRWLHARNSV-DLBZAZTESA-N 472.681 1.497 30 10 JDEE 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491.658 1.743 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@H]2COCCO2)CC1 1588967777 AXNLKTACBUBGTH-PWRODBHTSA-N 473.618 1.968 30 10 JDEE C=C(C)Cn1c(-c2cccn2C)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1593616457 JAMIETABEABRNZ-JFIYKMOQSA-N 476.603 1.986 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC2)CC1 1594497864 NPHLQBVPPBQCFW-IBGZPJMESA-N 466.652 1.888 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1594680305 RFYZDVGZCJHBAF-CMKODMSKSA-N 481.667 1.233 30 10 JDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cc(Br)cn1)C1CC1 1595021036 QVBXAQYEPYLZBU-LBPRGKRZSA-N 458.386 1.702 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)NC)CC1 1595488870 BEOBIACWZLDZGU-UHFFFAOYSA-N 462.352 1.471 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1595766287 NTSNRNBCMZUQLZ-FQEVSTJZSA-N 489.598 1.382 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1595772515 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474.631 1.766 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCOCC2CCOCC2)CC1 1286495104 XKSGODWHXOYLQG-OAQYLSRUSA-N 459.591 1.581 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC[C@@H]1C 1286523177 QXNQBHJFODMMBH-MIZPHKNDSA-N 478.663 1.868 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1286560905 KELMMYWTVIJTNT-SXLOBPIMSA-N 478.619 1.690 30 10 JDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1286717109 XBEOAJLGAZPJRW-HXUWFJFHSA-N 474.606 1.663 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C 1286750941 JWGJYLVVBYRVCW-ICSRJNTNSA-N 466.590 1.119 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286791560 WHMSFLVCQFEDOF-INIZCTEOSA-N 494.568 1.454 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1286818242 DWPZBKKFGASEAK-UHFFFAOYSA-N 489.690 1.879 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1286821825 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C=CC1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCNS(=O)(=O)CC)CC1 1749335942 CAYRKBFDNMGEQV-UHFFFAOYSA-N 457.560 1.936 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749655694 PJSWVMWXBNVHJU-KRWDZBQOSA-N 469.546 1.305 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1749658195 HVPHVOVRTKXLAO-YLJYHZDGSA-N 465.558 1.486 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(O)CCN(C(C)C)CC1 1750966165 IETCCQMXNJPKIL-UHFFFAOYSA-N 495.632 1.245 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1760184248 HUSIIZBRAFPEMO-IRXDYDNUSA-N 482.532 1.851 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(C[S@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1760184747 KZVPWYRPPUATFG-CGKQSPDFSA-N 483.619 1.894 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC3(CCCCC3)O2)CC1 1760253371 DRULRPBZYKTNEV-RBUKOAKNSA-N 464.636 1.525 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1760264599 UMORCQGSZMGEQJ-OCOZRVBESA-N 489.580 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CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)CCO1 1286945550 HCHBBABVWCOBBT-FQEVSTJZSA-N 483.573 1.232 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCN1CCOC[C@H]1C 1288792197 HCWVZHRVWNHUMG-QZTJIDSGSA-N 487.630 1.650 30 10 JDEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 1290342187 DAWIRBHOUMFYSO-NRFANRHFSA-N 454.552 1.571 30 10 JDEE C[C@H]1COCCN1CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1291309455 HCMTZYWNENVWFF-FHWLQOOXSA-N 475.594 1.800 30 10 JDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2ccc(S(N)(=O)=O)cc2F)n1 1292624622 FVMONTDQSCZORT-UHFFFAOYSA-N 454.534 1.839 30 10 JDEE CCn1cc([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCS(C)(=O)=O)CCO2)cn1 1295900976 IBEPRGHQRWBEAJ-LJQANCHMSA-N 455.544 1.656 30 10 JDEE CCO[C@]1(c2nnc(N3CCN(c4ccc(C#N)cc4F)CC3)n2CC(=O)N(C)C)CCOC1 1296648837 DCBFQTDPMBYXJP-HSZRJFAPSA-N 471.537 1.356 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Cc1ccc(OC)cc1 1300306901 AAWLMAQLVRVDFU-LVCYWYKZSA-N 475.615 1.956 30 10 JDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1300325342 YBLKXRVNCYDTJB-YWBAYFEHSA-N 450.499 1.850 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1300391183 IUCHIIWLEHYQBE-LJQANCHMSA-N 457.600 1.921 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(CC)(CC)OC)[C@@H]1CCS(=O)(=O)C1 1300497136 XONRNWMCUKLETP-IAGOWNOFSA-N 472.633 1.012 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1300498790 NAZOQKFNVNFITM-OALUTQOASA-N 464.975 1.564 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CCNS(C)(=O)=O 1300657141 UAQVOVIINFIEOD-UHFFFAOYSA-N 470.393 1.651 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](c2ccco2)N(C)C)CC1 1300688184 CAEFRNSCAHCBHK-NRFANRHFSA-N 482.610 2.000 30 10 JDEE C#CCSCCn1c(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)nnc1C(C)(C)C 1300776886 ODOJTYWAJWCHDS-UHFFFAOYSA-N 460.648 1.882 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301020299 XUIYMFAWMWJZIM-UHFFFAOYSA-N 478.962 1.622 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(F)(F)C1 1301425192 UIAOVBFWIUKTGF-HOTGVXAUSA-N 463.551 1.685 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(O)cc2)CC1 1301479402 ZGKRXXZBUMPSLA-UHFFFAOYSA-N 462.514 1.260 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(Br)cc2C1 1301499987 IIXTXWVZHHSENW-HNNXBMFYSA-N 494.415 1.808 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)CC1 1301531275 HXIQWUDELXEDGR-KRWDZBQOSA-N 466.585 1.028 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(=O)OC)C1 1301589894 ZOXBOIDTQQPHRI-LPHOPBHVSA-N 476.555 1.781 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCS(=O)(=O)CC1 1301592977 GYZCPYGXTJURHS-UHFFFAOYSA-N 468.601 1.310 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1315066620 DKGIFEMVMUWQHD-GOSISDBHSA-N 489.602 1.812 30 10 JDEE CS(=O)(=O)Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)cc1 1316340930 ANGPHDDCFFFUBS-FQEVSTJZSA-N 491.639 1.903 30 10 JDEE CS(=O)(=O)CC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)CC1 1316340993 CFRZDAYOWCKZAP-MRXNPFEDSA-N 455.606 1.135 30 10 JDEE C#CCN(c1nnc([C@@H](C)CC)n1CCNS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358957420 UGRMVAXZOMGQEF-ROUUACIJSA-N 479.628 1.397 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1358958416 NOGJGOXOGLAKNL-AEFFLSMTSA-N 478.596 1.015 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOc1ncccc1Cl)[C@H]1CCS(=O)(=O)C1 1358963339 GMACNIUXBURSGU-HOTGVXAUSA-N 465.963 1.536 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOCCOC)[C@@H]1CCS(=O)(=O)C1 1358967388 JNLYOJLNDPXUHP-GUDVDZBRSA-N 468.620 1.486 30 10 JDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1358982139 LUDAOJAHYXWNBF-QGZVFWFLSA-N 480.516 1.606 30 10 JDEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1CC1(O)CCS(=O)(=O)CC1 1358983230 ZYRFEQRNAHHVLV-UHFFFAOYSA-N 458.609 1.891 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1359028504 VACMEIGBMPMGPR-RBBKRZOGSA-N 466.586 1.954 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)CC)CC1 1359042878 XILFZDMBVSHIHS-UHFFFAOYSA-N 464.979 1.394 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)n1 1359063729 BSUKINZJTONSRC-HTAPYJJXSA-N 473.603 1.160 30 10 JDEE C=C(Cl)Cn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1359156486 HNHTZWVCAQWUKZ-NRFANRHFSA-N 453.971 1.758 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1359304114 MLDMHENOUMHEAL-HNNXBMFYSA-N 475.575 1.287 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(NC(C)=O)nc2)C1 1359312766 AMOZUXIKISVFKL-PBHICJAKSA-N 463.564 1.071 30 10 JDEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359338709 DZTAWAHWROTMMT-GFCCVEGCSA-N 497.444 1.835 30 10 JDEE CC(C)OCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1360396269 CFJMVURFEVZASG-GOSISDBHSA-N 475.619 1.902 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(Cc2ccc(F)cc2)CC1 1360712721 BQVRCDAMOMAMFB-MAUKXSAKSA-N 462.551 1.779 30 10 JDEE C#CCN1CCN(C(=O)CN2CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)CC1 1460365176 OFGRYGCKRJVTSQ-OALUTQOASA-N 454.468 1.440 30 10 JDEE CNS(=O)(=O)c1ccc(CNS(=O)(=O)c2cc(Br)cc(C#N)c2)s1 1462801803 CRKIGHBTEIJDNI-UHFFFAOYSA-N 450.361 1.769 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2nccs2)c1 1507551788 ZFPDDMMWXVKCNX-QGZVFWFLSA-N 484.607 1.936 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1507592001 PNQUMPJOONCFBL-DOTOQJQBSA-N 460.556 1.664 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1507592008 PNQUMPJOONCFBL-WBVHZDCISA-N 460.556 1.664 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(NC(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1507633639 FPQWZPNDRVWTTL-FQEVSTJZSA-N 470.599 1.999 30 10 JDEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1CCN1CCCS1(=O)=O 1507656221 UAFKGQBSYKOEGG-UHFFFAOYSA-N 459.597 1.687 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1508034535 XCGHIKOCJVESES-KRWDZBQOSA-N 450.561 1.550 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCSC[C@@H]1C 1508071928 HAWFAJCNNIJQIV-HNNXBMFYSA-N 464.617 1.439 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1c(F)cccc1F)C1CC1 1508089111 DMXIJZRNEVUQRN-AWEZNQCLSA-N 465.526 1.930 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1508089288 FHOZFUNEXQCIHF-VKJFTORMSA-N 463.560 1.351 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1508089527 CAIHVLLPCINTJI-UHFFFAOYSA-N 476.603 1.294 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1508098745 RGJVOVTUQVNTNR-HXOBKFHXSA-N 478.594 1.678 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(C)=O 1519772792 LNDWCPLBRHKSSI-QGZVFWFLSA-N 456.362 1.695 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1539203315 PIJBGOIBIVYQLS-ZBFHGGJFSA-N 486.019 1.217 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCC(OC)CC2)CCCC1 1539412999 GJHLIUIGXLPNPG-HXUWFJFHSA-N 458.607 1.739 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCN(CCC(C)C)CC2)CC1 1539431318 RAUIKHRUBXANLY-FQEVSTJZSA-N 479.695 1.402 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(CN(C)CC)c2)CC1 1539432246 ZFUJBDIUPVTRFT-LJQANCHMSA-N 473.647 1.144 30 10 JDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1539454422 NLGMQXROYGSCHS-OAQYLSRUSA-N 456.616 1.243 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1539476267 UEWOGAYSBZICRS-INIZCTEOSA-N 476.002 1.999 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(C)(C)OC)CC1 1539477544 QAIOTVNIFUVOIJ-UHFFFAOYSA-N 487.630 1.629 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1539477737 XBZZBSMADDPTDQ-SFHVURJKSA-N 495.550 1.469 30 10 JDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539499901 QWLHRLMXIQLEBB-UHFFFAOYSA-N 457.560 1.430 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1539704869 JWKMZZOGQMKXGS-HXUWFJFHSA-N 494.662 1.662 30 10 JDEE C=C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCS(=O)(=O)N(C)C)CC1 1539842916 RPUUQKFYXBLRAW-UHFFFAOYSA-N 467.621 1.286 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CCC(N)=O)CC1 1540864428 ZVOPBEXVEOXWTL-UHFFFAOYSA-N 464.368 1.820 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(CC(F)(F)F)[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1540876036 FVLQKRPFQRPOLK-DNVCBOLYSA-N 460.501 1.305 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1541115814 FSWHHIBCYQTEPS-HAGHYFMRSA-N 495.694 1.963 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1547741727 CWBQOWKOUJVUDE-GOSISDBHSA-N 450.547 1.535 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCCO2)c1 1568989895 QVVKLKWRORDSSC-QGZVFWFLSA-N 451.545 1.354 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1 1587793593 DWQOQAPSLGILBP-MAUKXSAKSA-N 453.561 1.905 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1588055269 UNAKBMDPDYCPMW-JKSUJKDBSA-N 460.585 1.021 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1588064195 CRFZKKQRWAMPSO-KRWDZBQOSA-N 490.586 1.874 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1588069202 JIZVVKXHXUPLFV-HXUWFJFHSA-N 469.611 1.887 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCN2CCN(C(C)=O)CC2)CC1 1588914103 WMOPIXDNYOHSDZ-UHFFFAOYSA-N 493.612 1.084 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCS(=O)(=O)c2ccccc2)CC1 1588923564 DQVALPUDZGNLHI-UHFFFAOYSA-N 455.584 1.985 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1589484486 TYYQTHXSZVVBQU-QYZOEREBSA-N 480.635 1.402 30 10 JDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1593758151 WIXCCUCKSIBSAO-GOSISDBHSA-N 451.535 1.389 30 10 JDEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CC)C1)c1ccccc1 1593788835 DHDMGESVLMHCKQ-UXHICEINSA-N 461.588 1.940 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1594784305 WJQMQGVQVXTHSG-GOSISDBHSA-N 466.608 1.111 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)OC)CC1 1595517117 PXZLDHPNGDZDFX-UHFFFAOYSA-N 463.336 1.898 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1595576894 AYUDYWLPISIOMA-UHFFFAOYSA-N 496.612 1.851 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1595658747 JLZSBSIARVFDBM-MOPGFXCFSA-N 494.639 1.807 30 10 JDEE C#CCN1CCC[C@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)C1 1595789822 CCZIQOBDAVRKKX-NUJGCVRESA-N 453.992 1.965 30 10 JDEE CCn1cnnc1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)CC#N 1615741492 DHRRKHCCQNNZLT-OAHLLOKOSA-N 457.564 1.593 30 10 JDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1617356003 CXTUAERKSBAYIZ-IBGZPJMESA-N 460.560 1.140 30 10 JDEE C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1630998948 AMTGKLVWZYXGPC-QGZVFWFLSA-N 456.572 1.978 30 10 JDEE C=CCn1cc(C(=O)N2CC[C@H]3[C@H](C2)NC(=O)N3C2CCN(C(=O)OC(C)(C)C)CC2)nn1 1642784914 IKJWWTLISCZFMC-WMZOPIPTSA-N 459.551 1.472 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689977866 FPGPGHCXSMTRMT-AWEZNQCLSA-N 486.476 1.479 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1689990265 NHOXVZYQSHWSNF-OALUTQOASA-N 494.614 1.579 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1CC[C@@H](C(F)F)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689991322 ZSHORZDXVPSRPW-MOPGFXCFSA-N 485.601 1.918 30 10 JDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1690131148 UOXSZPAGNSXIJI-GMAHTHKFSA-N 453.587 1.879 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1690156354 VYKOFTWBALQUFX-HOCLYGCPSA-N 467.621 1.405 30 10 JDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1690477110 ZYMWFKIVWZKJJV-GOSISDBHSA-N 485.618 1.995 30 10 JDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)nc1 1690528021 WMBABESVYFQSBS-QGZVFWFLSA-N 457.535 1.751 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(CCO)Cc1ccc(F)c(Br)c1 1690669512 HNZIEGXXAFUNNO-MRXNPFEDSA-N 495.353 1.432 30 10 JDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1690674069 NVHCTMXJIAWNTP-UHFFFAOYSA-N 467.574 1.855 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1690724222 KPAFFIVBSCSBAL-LJQANCHMSA-N 478.619 1.700 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC(C)(C)O[C@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1690731565 MFRKMTOHTQFDMJ-FGZHOGPDSA-N 484.619 1.305 30 10 JDEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)CC1 1695897305 HEFUYRDZQNSJKY-FQEVSTJZSA-N 494.644 1.561 30 10 JDEE CN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)F)C1CCN(CCn2cccn2)CC1 1696630348 AGVJEKTXCSNUFO-UHFFFAOYSA-N 497.554 1.995 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705567262 VDNDKPHJDVFVIC-NHCUHLMSSA-N 490.651 1.830 30 10 JDEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1705567296 VWYGXRFAOBNFDC-SFHVURJKSA-N 482.610 1.978 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1705571900 KQGVBSFFCUFDSB-BJLQDIEVSA-N 493.655 1.945 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccn1 1705583476 YZYXTMJVXGAYNQ-SFHVURJKSA-N 456.572 1.057 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCS(C)(=O)=O)CC1 1705635505 AGLIDFXQICJQRO-UHFFFAOYSA-N 466.405 1.898 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1705649211 PCEJNQDFOLWUGS-LJQANCHMSA-N 451.575 1.508 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCCCC2)CC1 1705661379 ADIQWTOHSDOBSJ-FQEVSTJZSA-N 496.703 1.432 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCCC2)CCOCC1 1705667545 VRTFLNJWXJVGCB-WIYYLYMNSA-N 464.636 1.525 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1705725571 IQQLMUCIKXESNX-LJQANCHMSA-N 463.608 1.609 30 10 JDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)N1CCOCC1 1705845335 OPHRGTDUBADNFQ-UHFFFAOYSA-N 453.591 1.124 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1)C(C)C 1705869191 OUPPKYLXAJIHPS-UAFMIMERSA-N 493.630 1.993 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705898004 YTURSBDXGJWICR-FPOVZHCZSA-N 479.585 1.889 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCCCC2=O)CC1 1705907507 OVLWIEWUTCSZRU-UHFFFAOYSA-N 454.579 1.423 30 10 JDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1705930778 VPKLPLFZIROVHK-UHFFFAOYSA-N 455.943 1.942 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1705939230 VDIPYVALHVHOLE-OAHLLOKOSA-N 479.525 1.625 30 10 JDEE CC(=O)N1CCN(CCn2c(N(C)C[C@@H](C)C#N)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 1706004648 SVBWRXHAFKQZIX-YSIASYRMSA-N 488.637 1.809 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC12CC(NC(=O)OC(C)(C)C)(C1)C2 1722275954 GQCUKXWYENTDAU-RUKGUGCUSA-N 466.608 1.794 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccn2)CC1 1722307851 BIFNSFGECQSTKI-QGZVFWFLSA-N 459.576 1.049 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722327124 ZVGJDRUYCLBNSO-UHFFFAOYSA-N 465.601 1.280 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1722358445 HREMLMAVSOBLJB-QGZVFWFLSA-N 472.571 1.369 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1722361810 PQJARNHURXECFL-OAQYLSRUSA-N 464.551 1.974 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(c2ccccc2F)C1 1722384611 WSNJMFUWAXZOHC-RBUKOAKNSA-N 455.559 1.919 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1722393521 DUHMUNJLIHLVFZ-UHFFFAOYSA-N 451.552 1.829 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722463145 XNAJCNPIJOAUMK-LJQANCHMSA-N 457.604 1.334 30 10 JDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1722527391 HZHIYQISWXGFSJ-UHFFFAOYSA-N 453.609 1.947 30 10 JDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1722603213 GSCTVJYWQHKWTK-UXHICEINSA-N 478.663 1.669 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C)=C(Br)C1 1722727840 RRMBTOKVKZDRCO-AWEZNQCLSA-N 458.382 1.709 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)OC)C1 1722730874 GDKSGEWZYIBIQJ-FUHWJXTLSA-N 477.587 1.891 30 10 JDEE C[C@@H]1CCCN(C(C)(C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)C1 1726552591 HFOTTZRKOGHDQS-QUCCMNQESA-N 493.678 1.861 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCN2CCC[C@@H]2C)c1 1740565369 TVMAJAFAPPSUOJ-IBGZPJMESA-N 463.586 1.941 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(OC2CCCC2)c1 1740610635 HEUIPHZPKZLUHY-IBGZPJMESA-N 474.587 1.445 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1740615545 GTAIMUPXMGQVPP-RBUKOAKNSA-N 462.620 1.015 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1740620619 FQEGXQQSXGDVQM-MGPUTAFESA-N 450.561 1.579 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1740622751 IEAHDMAKHDEWLC-IRXDYDNUSA-N 476.603 1.363 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1740626236 VXNYQAYRJFQSPB-SFHVURJKSA-N 463.604 1.234 30 10 JDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1740647022 MKTYWUAECYGHGQ-MHZLTWQESA-N 490.608 1.742 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](OC)c1ccc(F)cc1 1740685128 BHAKWHFWRZHXFX-MJGOQNOKSA-N 450.536 1.793 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN2CCN(C(C)=O)CC2)CC1 1740691464 DZCKWJPYWRUTFT-UHFFFAOYSA-N 486.020 1.526 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1740700685 FIMCJAUNNYBYPX-QZTJIDSGSA-N 465.558 1.706 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@]2(OC)CCOC2)CC1 1740706964 KBBVBBDVBORVRN-XMMPIXPASA-N 455.534 1.779 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCCS(C)(=O)=O)CC1 1740708486 QXEKGDFIQWZTGN-UHFFFAOYSA-N 457.600 1.464 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1740712186 ZGQUACGFOZIECO-UHFFFAOYSA-N 473.624 1.822 30 10 JDEE C#CCSCCn1c(N2CCN(CC3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1740723905 VZCWDIHMCPZYBM-QHCPKHFHSA-N 463.648 1.845 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1740787691 LRJJEIQWARBVOF-SJORKVTESA-N 478.623 1.403 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1CCN1CCN(C(C)=O)CC1 1740917291 NJIQBTJTXSHMFX-UHFFFAOYSA-N 453.591 1.773 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1740955597 ZBWDOQWXYNBVFV-INIZCTEOSA-N 469.546 1.305 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1740991987 KIARBSWRPQTZLX-ZWKOTPCHSA-N 453.609 1.072 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCN(C(C)=O)C[C@H]1C 1740994587 UIUXRHTWXGUZJD-MRXNPFEDSA-N 465.551 1.654 30 10 JDEE 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30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCS(=O)(=O)c2ccccc2)CC1 1749009369 PTWLVEMBQIKOEQ-UHFFFAOYSA-N 495.609 1.508 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCN2CCCO)CC1 1749010475 SEKULTQDKWMIBU-RTWAWAEBSA-N 458.607 1.332 30 10 JDEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1749434017 DQIAALBSDDBWSV-UHFFFAOYSA-N 465.562 1.775 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](CNC(C)=O)C1 1749652429 NTHLIDITLFYLCG-OAHLLOKOSA-N 478.395 1.701 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)N2CCN(c3ccccc3)CC2)C1 1749694843 WNMHIKXYSVLEMK-NRFANRHFSA-N 481.601 1.546 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCn2c(nnc2-c2ccccc2)C1 1760130301 HJDMRIOJORMWQA-KRWDZBQOSA-N 468.587 1.971 30 10 JDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1760144605 WABXZNWLXOIDLU-LJQANCHMSA-N 480.635 1.241 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccccc1-n1cccn1)[C@@H]1CCS(=O)(=O)C1 1760192550 JWJCSKWYEMXLNR-LJQANCHMSA-N 454.556 1.675 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CSCCS2)CC1 1760256554 IDLZRYFPMPVGSN-GHTZIAJQSA-N 451.662 1.923 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(O)CCOCC2)CC1 1760263935 VKLOPCDHBXFWGV-IBGZPJMESA-N 474.606 1.647 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cnn(-c3ccccc3)c2)CC1 1760265255 UNSSNBRONBQFRN-UHFFFAOYSA-N 474.569 1.616 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1760464973 SWHJJPHTLBUPJM-SJORKVTESA-N 486.639 1.783 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1760521465 TYIVQVLTEJSYHU-KRWDZBQOSA-N 486.646 1.608 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](OC)C(C)(C)C)C1 1760544233 WBXOPCFERQGXLN-FGTMMUONSA-N 471.624 1.453 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1760555368 DRGRAKIUALAQHV-FQEVSTJZSA-N 473.599 1.735 30 10 JDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1767796406 DILLJDSGYNAVSP-UHFFFAOYSA-N 451.531 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C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1C[C@H]1CCCO1 514835890 VLABPSQVYQUXDI-OAHLLOKOSA-N 474.380 1.657 30 10 JDEE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 726277037 HAKTZIDDEIMAHX-RPYJSOBJSA-N 478.619 1.564 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)C(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)c1 918635902 GPGREDPVPISEKC-UHFFFAOYSA-N 457.556 1.506 30 10 JDEE C=CC[C@@H]1CCN(C(=O)Cn2c(=O)c3c(ncn3CCOC)n(Cc3ccccc3)c2=O)C1 1131361009 AAWKYZSYMYVRJG-GOSISDBHSA-N 451.527 1.479 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CN(CC)CC)C1 1286349729 NBRSSGVKVAVLOL-MOPGFXCFSA-N 452.625 1.193 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1286381374 MGIGAHWSLMWUSX-KRWDZBQOSA-N 451.593 1.250 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1CCS(=O)(=O)CC1)[C@@H]1CCS(=O)(=O)C1 1286388630 SPQWLGNRDZAPKW-QGZVFWFLSA-N 498.030 1.445 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1286420179 NEGISEDEZBLFMY-IRXDYDNUSA-N 466.608 1.607 30 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1.585 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC(=O)NC)c1 1300331131 GJCVSCAURJVPAK-XMMPIXPASA-N 468.558 1.511 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(SC)CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300495878 KGJKHRWPBWHAOJ-RTBURBONSA-N 481.688 1.974 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccccc1Cl 1300672321 YMHWQOGEGIKXOF-KKSFZXQISA-N 466.991 1.827 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(OCC(N)=O)c2)CC1 1300703376 HSGRRDDREFVRDY-UHFFFAOYSA-N 450.568 1.598 30 10 JDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)N(C)C)CC1 1300844692 QOQSBLGPPHAZKP-UHFFFAOYSA-N 480.367 1.125 30 10 JDEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1301189653 CFTGYXNFCLTLSM-UHFFFAOYSA-N 467.574 1.128 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCn2cc(C)nc21 1301401621 CQKNTDZSXYUTGO-RBUKOAKNSA-N 475.619 1.872 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC(F)(F)C1 1301425191 UIAOVBFWIUKTGF-CVEARBPZSA-N 463.551 1.685 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccon1 1301502033 BAJRZQOGYIWQQW-MRXNPFEDSA-N 461.523 1.513 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(Cc2cscn2)CC1 1301587219 SFCVNUBMKZBNBQ-UHFFFAOYSA-N 473.628 1.643 30 10 JDEE CC(C)N1CCC[C@@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)C1 1303303247 DVQUPBXPDBKVBR-RTWAWAEBSA-N 493.678 1.861 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1CCOC1=O 1305782925 FXGURAYWICGWDV-UHFFFAOYSA-N 495.588 1.632 30 10 JDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)cc(C(=O)OC)c1 1309078908 CQHYJHKPRNTFRT-ZDUSSCGKSA-N 450.332 1.047 30 10 JDEE Cn1cccc1-c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)NCC(F)(F)F 1314917011 CDKIPTZFHFMGHI-UHFFFAOYSA-N 473.463 1.555 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2csc([C@@H](C)OC)n2)CCO1 1315006525 FHMVIVMJXGMPOV-RDTXWAMCSA-N 467.555 1.980 30 10 JDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1cccc(C(=O)NC)c1 1358946278 PEZNVFOAMPFUIC-UHFFFAOYSA-N 465.583 1.910 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1358966587 RRRFKWPJRWMCGH-LJQANCHMSA-N 462.620 1.829 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCNC(=O)[C@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1358967980 WWPKHYBUZZQFEW-FGTMMUONSA-N 451.593 1.309 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc2c(c1)OCCO2 1358969725 VHXMWRWNTNNELG-QGZVFWFLSA-N 471.583 1.710 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1358976958 YKOAEEXALUNUQN-AVRWGWEMSA-N 460.538 1.678 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1359060217 NWRUFWXMDDEBMK-XXBNENTESA-N 498.701 1.885 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C(CC)CC)N(C)C 1359069940 BVTQGNMIQVDDDL-MIZPHKNDSA-N 480.679 1.970 30 10 JDEE C=CCn1c(N2CCN(S(=O)(=O)Cc3ccon3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359290599 IXYVGKCXUVAELG-HXUWFJFHSA-N 466.564 1.145 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C(N)=O)CC1 1359328038 RIGHOPZCPGZYHF-UHFFFAOYSA-N 485.408 1.349 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1359334481 HOBUMGLUZDBHKC-QHCPKHFHSA-N 488.589 1.978 30 10 JDEE C#CCN(CC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C 1451657386 ZVSDULPMDWTVRU-UHFFFAOYSA-N 454.505 1.202 30 10 JDEE C=CCc1ccc(OCC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)c(OC)c1 1456607112 SUMRZEKSRRMTEM-UHFFFAOYSA-N 452.573 1.892 30 10 JDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1503724342 ARFDYLCMNRVKLO-HTAPYJJXSA-N 471.587 1.061 30 10 JDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1507570522 QFVMXYRRBSIEEB-HXUWFJFHSA-N 455.607 1.337 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCN(CCC)CC1 1507589724 ZFZXPEBCADPVTF-LJQANCHMSA-N 452.625 1.335 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1507633077 AQTPZHSFXXAHQK-SFHVURJKSA-N 456.572 1.304 30 10 JDEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1507633327 FWTRHQRRFOXTKU-FXAWDEMLSA-N 460.556 1.844 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1507633922 VQGCMFWPRABKKM-QUCCMNQESA-N 494.614 1.579 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCN(CCN(C)C)CC1 1507653118 NHBPZPPBFKFIPS-UHFFFAOYSA-N 472.597 1.940 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1507731439 IRRIKQKFQGQPNU-PCCBWWKXSA-N 476.691 1.692 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCN2CCN(CC)CC2)CC1 1507740396 SEQIDZGOPIJUJD-UHFFFAOYSA-N 478.645 1.257 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1508089333 JKTANGHPFRHPGW-AEFFLSMTSA-N 462.595 1.902 30 10 JDEE CC(=O)N1CCCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1508212878 FTSCNRQTMVORSR-XDOYNYLZSA-N 467.505 1.669 30 10 JDEE CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1508252275 DTDOAQYQVHDKGR-FCQUAONHSA-N 463.542 1.372 30 10 JDEE CC(C)c1nc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cs1 1508886916 BYUVXNRLLVNDND-DZGCQCFKSA-N 453.594 1.440 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccc2F)n1CCS(C)(=O)=O 1512364117 CKYVMJYTRDXEIU-OAHLLOKOSA-N 470.534 1.506 30 10 JDEE CCc1ccc([C@H](Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)N(C)C)cc1 1513625747 BUEMBYPFILZMCT-SFTDATJTSA-N 451.575 1.995 30 10 JDEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CCS1 1514179833 HGNKREMYGUFBQU-SFHVURJKSA-N 464.617 1.952 30 10 JDEE CS(=O)(=O)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)cc1 1519506085 FSGCJSGNGGQLDG-SFHVURJKSA-N 477.612 1.762 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCO[C@H]2CCOC2)c1 1539040254 PBHGQKBVZIAPJI-NRFANRHFSA-N 463.542 1.930 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1539205951 KTJIBTDPTFKEDH-DOTOQJQBSA-N 479.990 1.834 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)NC 1539384248 BDXCMKRVIXIURJ-UHFFFAOYSA-N 471.518 1.254 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncnn1CC(F)F 1539518336 YDHHJHHJVORFCP-CYBMUJFWSA-N 459.548 1.040 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1539848013 KSGDTUUTOCYHFC-AQNXPRMDSA-N 466.652 1.888 30 10 JDEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1540856152 WHOCKCIYPBPGNZ-UHFFFAOYSA-N 457.560 1.693 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1540874591 LXZQMMVNZVOULJ-NZQKXSOJSA-N 495.628 1.457 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cccnc1-n1cccn1 1541920759 DANFRBOTWNMLTK-HNNXBMFYSA-N 455.548 1.257 30 10 JDEE CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1547789439 FWQSNNSOQGXPPY-UHFFFAOYSA-N 489.602 1.765 30 10 JDEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1cc(C)nn1C 1548372708 YFTWVIMVYMUHTQ-LJQANCHMSA-N 478.475 1.713 30 10 JDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCS(=O)(=O)NC[C@H]3CCCCO3)n[nH]2)c1C 1565773074 CHYGUXDDPJCZGG-MRXNPFEDSA-N 450.565 1.294 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1 1587793594 DWQOQAPSLGILBP-QAPCUYQASA-N 453.561 1.905 30 10 JDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1587804287 XPWJZTCLYDWKGU-UHFFFAOYSA-N 485.633 1.550 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1588030217 RCFXFRVKSHGNLO-INIZCTEOSA-N 464.617 1.636 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1588040268 LDYZOPNBWMVJNO-MRXNPFEDSA-N 475.571 1.115 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1588124589 NXYRMGCXCUMHDM-UHFFFAOYSA-N 480.532 1.851 30 10 JDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1588385120 FJXAEXQFEAFAMV-GOSISDBHSA-N 457.604 1.736 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1588660646 YBCYPICHEJDDBQ-UHFFFAOYSA-N 473.581 1.699 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)cc2C)CC1 1588929845 HUAAQAKIODXDCE-OAQYLSRUSA-N 498.653 1.569 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1589069002 HHPJZCHSEWPWQD-KRWDZBQOSA-N 480.660 1.273 30 10 JDEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1594783852 KHVHQYRHJKNCMU-FQEVSTJZSA-N 474.993 1.975 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1595550674 GZKPNXGTUFSKNU-TZIWHRDSSA-N 492.690 1.963 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCC2(CC1)COC(=O)N2 1595593727 HUMDYWAISAGAJZ-UHFFFAOYSA-N 472.571 1.960 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 1595722804 NHNAQPYSXFKSLF-VQTJNVASSA-N 494.639 1.554 30 10 JDEE CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1596925466 GCVOINKMHBKOIR-HXUWFJFHSA-N 479.585 1.807 30 10 JDEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(N2CCOCC2)CCSC1 1611286518 HJUSIWJHFGIPOF-VGSWGCGISA-N 470.603 1.872 30 10 JDEE CC#CCCNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1631720035 HLACMMITBHUWSW-CQSZACIVSA-N 453.870 1.801 30 10 JDEE CNC(=O)[C@H](NC(=O)CN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)c1ccccc1 1647166321 DWICETPVUHWBHG-XMMPIXPASA-N 457.538 1.674 30 10 JDEE COc1cc(Br)cc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 1668620167 BQGJBYVARSRFSM-UHFFFAOYSA-N 454.350 1.882 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2nnc(C)s2)c1 1689872114 OSPWICBRPYCXOU-KRWDZBQOSA-N 499.622 1.639 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2COCCO2)c1 1689873204 BBYZBTVYRBJMDG-DWLFOUALSA-N 469.542 1.474 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1689930710 XWMVYXNFVMIPBN-QHAWAJNXSA-N 462.664 1.588 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Cc1ccc(OC)c(OC)c1 1689965994 IIJODDDVNKLVPK-DYESRHJHSA-N 491.614 1.576 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C1CC(C(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1689980294 PIXLQOWPHXDSHZ-GYXIZQIFSA-N 471.649 1.512 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1689982925 XFLKBRLSZQNWNW-DHJUGAMNSA-N 453.568 1.995 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[S@](=O)CC)CC1 1690113690 QNKNZNBKNNMEJX-HHHXNRCGSA-N 453.410 1.570 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)(F)F)C1 1690312728 BGVMBYASOKVRAG-JKSUJKDBSA-N 481.541 1.982 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1690664336 PDENQEFNBDZGIO-SFHVURJKSA-N 469.590 1.672 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2noc3c2CCCC3)C1 1690686308 LWWPPZHNXNAEBE-GJZGRUSLSA-N 450.565 1.585 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCN2CCOC[C@@H]2C1 1690717310 BNRSZKGCEOOSLL-SFHVURJKSA-N 496.431 1.829 30 10 JDEE CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC12CCCCC2 1690832908 RDCJELVNNSBMPL-MRXNPFEDSA-N 489.602 1.773 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCc1cnn(C)c1 1692792142 CHEVFNBUWLEXRA-SFHVURJKSA-N 497.629 1.453 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1NC(=O)CC1(C)C 1705481409 GDTKIDPEYSCAER-QAPCUYQASA-N 458.588 1.568 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C)N1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1705565075 FTCLLGHZYWCVMJ-SFTDATJTSA-N 485.658 1.301 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1705565491 VDPQFLJNOHUTAK-FQEVSTJZSA-N 478.578 1.717 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705569723 JRBJAAQAHRBKDQ-OAQYLSRUSA-N 484.626 1.730 30 10 JDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1nncn1CC 1705600860 ODOLRMBGYCAISV-UHFFFAOYSA-N 471.613 1.765 30 10 JDEE C#CCN(CCOC)c1nnc(CSc2ccc(C)cc2)n1CC1(O)CCS(=O)(=O)CC1 1705630791 GXVVUOBFEUSKKT-UHFFFAOYSA-N 478.640 1.905 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1705642538 XBZXXINNVKSAHP-UHFFFAOYSA-N 483.617 1.723 30 10 JDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705679125 CCGQDWNKYMEGRP-UHFFFAOYSA-N 498.407 1.694 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1705731413 VHLAIMOQBNTXMK-IIBYNOLFSA-N 467.567 1.718 30 10 JDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(=O)N1CCOCC1 1705738493 ZVYWMGFBFROTRB-UHFFFAOYSA-N 453.547 1.404 30 10 JDEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1705829306 MXXCVISNDPLTEP-UHFFFAOYSA-N 465.558 1.936 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCS1(=O)=O 1705878558 SUSWORYIINJFLR-HXUWFJFHSA-N 493.655 1.451 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705895892 WKDPKWCUPJFHGP-UHFFFAOYSA-N 498.613 1.498 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@H](C(N)=O)C1 1705898700 URPYSQOAXTYNQJ-AWEZNQCLSA-N 477.363 1.720 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CNC(C)=O)CC1 1705899550 WZLRKNKMCAYPNW-UHFFFAOYSA-N 454.531 1.371 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1705932538 GDCLPQRGGYKSCS-INIZCTEOSA-N 477.587 1.620 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccn(-c2ccc(F)cc2)n1 1706870519 DIEZXRDYHGJBOB-YCRPNKLZSA-N 490.540 1.898 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(OCCC)cc1)[C@H]1CCS(=O)(=O)C1 1722359133 QEDHJWHPCOCEQD-IBGZPJMESA-N 473.599 1.880 30 10 JDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCOC(C)C)CC1 1722437315 DFRNDJRVELTHEI-UHFFFAOYSA-N 459.620 1.809 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)N2CCOCC2)CC1 1722442823 DKHIZOILVARNJA-KRWDZBQOSA-N 471.993 1.680 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC(NC(C)=O)CC1 1722554351 DKZBMKXLCMXGLE-OFLPRAFFSA-N 475.015 1.247 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C(F)(F)F)ccn1 1722640268 KZEAAFLVAXZLFU-INIZCTEOSA-N 474.509 1.890 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nccc(C(F)(F)F)n1 1722681502 LDNOENSMDFYHOV-CQSZACIVSA-N 474.509 1.871 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1722700905 YMQVPHDFGHGPBT-HOCLYGCPSA-N 463.464 1.975 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(C)cc2)C1 1722719437 UFDABEOGCMPQEL-RTWAWAEBSA-N 475.615 1.943 30 10 JDEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1722742285 OITOPNVSHOVUQC-FQEVSTJZSA-N 492.671 1.814 30 10 JDEE CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1723512194 CLFSNXUUBGVGTA-VWLOTQADSA-N 465.602 1.967 30 10 JDEE C[C@@H]1C[C@H](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)CCO1 1726470621 IAQQVBCICUAURA-NXWNEQKCSA-N 480.635 1.946 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC(C)C)c1 1740610557 FIUADWUVNAXSCN-HXUWFJFHSA-N 461.588 1.764 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1740620321 VMDPDLVYQZVWRX-HXUWFJFHSA-N 462.535 1.895 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1740626643 XWOSVUZRWGCIFP-FXAWDEMLSA-N 465.601 1.066 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)CC(F)(F)F 1740683653 CANAIYMDJAROPG-UHFFFAOYSA-N 477.491 1.772 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccccc2N2CCOCC2)CC1 1740691027 SDTXEAVIIXCDHA-NRFANRHFSA-N 468.602 1.642 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CC=CCO2)CC1 1740703037 DODRRZSBUGOHHS-RDPSFJRHSA-N 457.575 1.630 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1740735906 ALHMQPQELLKLAK-UHFFFAOYSA-N 477.363 1.993 30 10 JDEE C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)NCC)CC1 1740744697 FLUFQDGADUPJTQ-SFHVURJKSA-N 491.390 1.957 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2cccc(OC)c2)CC1 1740959929 HJXMTFWBZPGMEN-LJQANCHMSA-N 473.599 1.875 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCSC[C@H]1C 1740990254 NWZIKLJYBYLEEV-OAHLLOKOSA-N 474.612 1.735 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H](C(C)C)N1CCOCC1 1741674120 GBOISRMSWIOHQA-QHCPKHFHSA-N 494.644 1.971 30 10 JDEE C[C@@H]1CCCC[C@@H]1OCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1743042711 CCBBVEVAJYUYIX-OEMYIYORSA-N 484.598 1.648 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 1748805834 WXJBOXBZTHVLBC-LAUBAEHRSA-N 479.628 1.565 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1748818305 AEVDODMOASTWMF-HXUWFJFHSA-N 465.583 1.788 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1748891583 ARTPIAUIVMWOOY-TZIWHRDSSA-N 482.610 1.312 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(-n3nc(C)cc3C)nc2)CC1 1748971515 SWGIYKKTQZIOMC-UHFFFAOYSA-N 461.574 1.417 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCOC[C@@H]2CCCO2)CC1 1749008507 ABJJNQYZKUDCLU-IBGZPJMESA-N 453.547 1.287 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1749304145 WBSQVWQYCXRSFK-QGZVFWFLSA-N 465.601 1.293 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1749412536 NNIYTHRUWCISQZ-MAUKXSAKSA-N 450.613 1.979 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CN2CCOCC2)c1 1749489403 VJCNRZBYXZIHGG-NRFANRHFSA-N 490.630 1.114 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1749678218 ZNKJCONFAKWVID-KRWDZBQOSA-N 475.594 1.396 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749740128 QLAXIWRFAZMBMK-ZACQAIPSSA-N 469.608 1.875 30 10 JDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCNS(=O)(=O)CC 1760171322 AFWPXYATTYMBGJ-UHFFFAOYSA-N 468.624 1.791 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1760184234 HNGUMTAFTFUHCE-OPAMFIHVSA-N 457.556 1.059 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1760185199 RVZFHZPYEXHARA-XHDOVSQSSA-N 464.569 1.069 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1760185679 BEKLWALCWKSUQR-RQZFFVEVSA-N 478.615 1.936 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(C)(=O)=O 1760212375 YREOYUZKBSWAJV-UHFFFAOYSA-N 462.601 1.054 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCN2CCCC[C@H]2C)CC1 1760268799 PIDGESMFCBIUIB-LJQANCHMSA-N 450.591 1.965 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760321435 GMJVOFHBQXOGNF-UFYCRDLUSA-N 474.606 1.327 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(O)cc2)CC1 1760352548 RHGUXKQRXFFPJL-QGZVFWFLSA-N 464.592 1.513 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1760433265 QVYPQUMVXQXOMP-ROUUACIJSA-N 451.597 1.573 30 10 JDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNS(=O)(=O)CC 1760464020 WNDHBHUZDXYOFP-OAHLLOKOSA-N 458.585 1.148 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(C)(c3nc(C)no3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760528431 BXCOYQLYUVTMPH-HSZRJFAPSA-N 473.578 1.870 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](Cc2ccccc2)C1 1760548407 GBMVAXGKHOZSGF-LJQANCHMSA-N 461.588 1.465 30 10 JDEE CCN(CCCn1c(C2CCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)S(C)(=O)=O 1766866672 BGTCNYKMGHLWLT-UHFFFAOYSA-N 472.619 1.810 30 10 JDEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1767865300 FOOYVOXDQKNQMI-SFHVURJKSA-N 473.555 1.146 30 10 JDEE COc1cccc(C(=O)NCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1768758937 DBSYYXPGZNWFCH-JOCHJYFZSA-N 455.494 1.395 30 10 JDEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc3c(c2)OCCO3)c1 1862560400 DRTAKKGARRPISH-JOCHJYFZSA-N 465.506 1.951 30 10 JDEE C=CCNC1=C(c2ccc(OC)cc2OC)C(=O)N(CCc2ccc(S(N)(=O)=O)cc2)C1=O 1863755326 DELIUAIGIYTZLW-UHFFFAOYSA-N 471.535 1.449 30 10 JDEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ncnc21 1873560488 AQUNJKKJUDFMGR-UHFFFAOYSA-N 495.540 1.279 30 10 JDEE COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(=O)Nc3ccc(C#N)cc3)C2)cc1 1873864738 WHFDWZBQZFQTDC-QGZVFWFLSA-N 456.524 1.722 30 10 JDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCc2c(I)cnn2C)C1 2255156123 LQYIWOVSWUUYON-UHFFFAOYSA-N 458.300 1.948 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(F)CC(NC(=O)OC(C)(C)C)C1 2267183188 METZJPRSCCLTBC-UHFFFAOYSA-N 452.336 1.845 30 10 JDEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C 2267499376 SGIHXNZBBSMDOP-HNNXBMFYSA-N 450.341 1.610 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)n1 2267504651 VSVGNVJCMXSDAD-OAHLLOKOSA-N 452.336 1.654 30 10 JDEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)[C@@H]2[C@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)C1 2268782403 KYGQZNKVNPFKMK-YESZJQIVSA-N 452.357 1.508 30 10 JDEE Cc1cc(C(=O)NC[C@@H]2[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282012337 UTFMFXRTSJJRFB-OAGGEKHMSA-N 482.408 1.427 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]2C1 2282629682 YYDNYWGHGVDLRM-OAGGEKHMSA-N 460.340 1.140 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@@H]3CC[C@@]3(NC(=O)OC(C)(C)C)C2)n1 2282838324 MTZXBMBUIYTJSD-LHSJRXKWSA-N 482.412 1.397 30 10 JDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)OC1(C)C 2282839321 BZJASNLWNFWGAT-SFHVURJKSA-N 488.444 1.982 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@]1(F)C[C@H](NC(=O)OC(C)(C)C)C1 2282849989 JQXKOPKPEUBWMD-UWELNFAVSA-N 488.391 1.393 30 10 JDEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282851223 ZBYYMSLOIOKOTI-LSDHHAIUSA-N 484.428 1.643 30 10 JDEE CN1C[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)CC1=O 2283979745 RHQSTHDLBXHUSS-ZDUSSCGKSA-N 480.396 1.136 30 10 JDEE C=CCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O 2314413907 LMBRRQPRTWSDAU-CYBMUJFWSA-N 476.605 1.989 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F 2337198469 KDGGIDYMECYAEF-KGLIPLIRSA-N 452.336 1.797 30 10 JDEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2343635037 CHXTXQDTOQOONC-CABCVRRESA-N 452.336 1.749 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2345744484 BQBOUIXIKDXQQX-ZOBUZTSGSA-N 453.320 1.273 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H]3C[C@H]2C[C@H]3NC(=O)OC(C)(C)C)n1 2359266725 QLHNZPUVBTVQLF-ZQDZILKHSA-N 461.372 1.536 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)n1C 2362340737 PEWWAJUCISBZHZ-IBGZPJMESA-N 498.389 1.795 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)N1CC(B2OC(C)(C)C(C)(C)O2)=CCC1(C)C 2362680837 ZVAGJADZTUIOOZ-BBWFWOEESA-N 466.384 1.896 30 10 JDEE N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@@H]1c1cccc(Br)c1 72443788 POBPOXWSMBWQTI-ZIAGYGMSSA-N 471.315 1.458 30 10 JDEE CCc1ccc(-n2c(=O)/c(=C\c3ccc(N4CCCC4)c([N+](=O)[O-])c3)s/c2=C(/C#N)C(N)=O)cc1 96793735 LQRUXPFOXPMMEV-XQWBXMLZSA-N 489.557 1.958 30 10 JDEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204864100 QHZPEYHCDIUJAB-GDBMZVCRSA-N 461.372 1.702 30 10 JDEE CN(C)C=Nc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)/N=C\N(C)C)cc2)s1 254678763 SOPGYRUGIDYQLU-QNLBZCCJSA-N 455.591 1.769 30 10 JDEE Cn1c(=O)nc(O)c2c1nc(NN=Cc1ccc(F)cc1)n2C[C@H](O)COc1ccccc1 254870515 ZSJPQPGQAQXMON-INIZCTEOSA-N 452.446 1.861 30 10 JDEE COc1ccc(OC)c(/C=C/C(=O)[C@@H]2C[C@@H](NC(=O)CNC(=O)c3ccccc3)CCN2)c1 585827915 KOOWMKYQQCQNEY-OQOWPKNGSA-N 451.523 1.953 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)Nc2ccc(C(=O)O)cc2)nc1C 586343049 ZQGRKKZNIMPFLR-WJOKGBTCSA-N 465.509 1.818 30 10 JDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(F)cc1F 590945312 DKDLDXNFIRWBHV-CQSZACIVSA-N 455.486 1.831 30 10 JDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)NCc2ccc3c(c2)OCO3)n[nH]1 1084071522 QDZWZNSZROMMAJ-UHFFFAOYSA-N 472.531 1.194 30 10 JDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1136943058 WNOYLUNDWOHJBE-SFHVURJKSA-N 458.563 1.269 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1286381320 GDRFMZCZFCLPPF-UZLBHIALSA-N 465.601 1.370 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1286387243 BVPJKCJHCSDUDZ-LJQANCHMSA-N 464.613 1.569 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC1(O)CCOCC1 1286401313 PMXCJXWWFPVHPM-UHFFFAOYSA-N 470.599 1.551 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCS(C)(=O)=O)CC1 1286493775 PXGZRXVEXOLVJF-HXUWFJFHSA-N 487.582 1.191 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1286554776 IJKJJSYAHOIPEQ-MLHJIOFPSA-N 452.581 1.331 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286558139 ZWPIRUAOVUYENL-UFYCRDLUSA-N 467.636 1.919 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1286782077 JONJOWJNFPKUCT-RBUKOAKNSA-N 459.572 1.799 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)N2CCC(C)CC2)C1 1286808695 DRMOQLZUZMIMNZ-NJDAHSKKSA-N 496.678 1.513 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCN2CC)C1 1286810321 POXNLLRABSLDSI-VAMGGRTRSA-N 482.651 1.267 30 10 JDEE Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)no1 1289390626 FRDPCURZJNBJMN-KRWDZBQOSA-N 455.544 1.927 30 10 JDEE C#CC[C@H](NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1)C(=O)OC 1299178675 IJABRPMFZOTHGA-IRXDYDNUSA-N 456.524 1.404 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(F)(F)Br)[C@H]1CCS(=O)(=O)C1 1300484550 UAHPFNPURTVQBJ-XJKSGUPXSA-N 497.362 1.545 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1300663725 HRVWPRYLICNSEQ-RBBKRZOGSA-N 465.602 1.526 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(OC)cc2OC)CC1 1300719479 CLSANQKNYPVZDT-UHFFFAOYSA-N 477.569 1.904 30 10 JDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CCC(N)=O)CC1 1300744834 BGVLQJLIFMCKOF-UHFFFAOYSA-N 465.587 1.769 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1300990059 ICHVISIBLGPEHE-FUHWJXTLSA-N 450.565 1.084 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1301030495 MZVTZYXDXKBATD-UHFFFAOYSA-N 469.933 1.077 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1301223081 MMMPCAWKLUJKFX-ICSRJNTNSA-N 496.678 1.954 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1301458255 QBCDJIAXQVYPKH-HXUWFJFHSA-N 478.594 1.648 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1301492633 LSNURXBTUWUZPF-GOSISDBHSA-N 474.587 1.260 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1301509551 IXWZITQKOLDWOU-JOCHJYFZSA-N 474.587 1.346 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1301588068 CEKKKWUFAPEVQY-RTBURBONSA-N 453.609 1.074 30 10 JDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1301606605 UNDNWHFEMUSOBH-GOSISDBHSA-N 456.620 1.787 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(C)C)nc1 1358889817 HCQXMUFBSSZOGO-FUHWJXTLSA-N 462.576 1.299 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCN2CCOC(C)(C)C2)c1 1358902100 FEWDPLMMUVPLFZ-HXUWFJFHSA-N 466.586 1.949 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2CCS(=O)(=O)C2)c1 1358902102 FFFCGEDYTUPCMY-QGZVFWFLSA-N 465.539 1.226 30 10 JDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1358934220 UKRSYCGLGAKYSL-OAHLLOKOSA-N 467.559 1.215 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CC(=O)NCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358959190 DIMGJRCDFYKELK-FQEVSTJZSA-N 478.578 1.326 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOc1ncccc1Cl)[C@@H]1CCS(=O)(=O)C1 1358963341 GMACNIUXBURSGU-JKSUJKDBSA-N 465.963 1.536 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1358966799 XBZYXEPGOCJSPJ-QGZVFWFLSA-N 461.975 1.729 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCOCC1 1359010360 NGQZLGHSDJGUQX-IBGZPJMESA-N 462.595 1.768 30 10 JDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1359037151 XOFXMYFATAXMID-KRWDZBQOSA-N 463.554 1.727 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCS(C)(=O)=O 1359066036 LSJCDBCTOOBGCW-HXUWFJFHSA-N 465.601 1.232 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](Cc1ccccc1)OC 1359069869 AETZNDRHDBASQH-ZFGGDYGUSA-N 487.626 1.861 30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1359160916 JLFVJVOQMODWEA-JOCHJYFZSA-N 458.588 1.830 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1359330592 XCPKCEHROYOXTJ-GOSISDBHSA-N 460.604 1.627 30 10 JDEE Cc1nsc(N2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)CC2)c1C#N 1436555786 IEZQFCPOXNBGDS-HNNXBMFYSA-N 451.599 1.887 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 1471035561 SNBSTSHGFRYGBZ-NSHDSACASA-N 459.359 1.726 30 10 JDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)CC1 1501780222 HHACSOKLFSOXHQ-UMSFTDKQSA-N 483.642 1.718 30 10 JDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cccc(CS(C)(=O)=O)c2)CCOC1 1502681331 GUFJUFBEHISMFM-FCHUYYIVSA-N 477.562 1.965 30 10 JDEE CCS(=O)(=O)NCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(C#N)C1 1503277165 HREVQFIVRZDUAA-OAQYLSRUSA-N 494.021 1.931 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@](F)(C#N)C1 1503829321 BGOGWOAFAMGFJH-INIZCTEOSA-N 475.319 1.838 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507639980 NROGIIFYTKGINY-HXUWFJFHSA-N 476.647 1.292 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](OC)C(C)(C)C)CC1 1507736507 QNZYBUYEITUXJP-DVECYGJZSA-N 461.607 1.957 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nc(O)c2ccccc2n1 1507747365 WMAQNXMEKCURAD-CQSZACIVSA-N 475.600 1.540 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1507954808 PTKLMBKMDDTMOO-IBGZPJMESA-N 476.603 1.573 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC)CC1)C(C)C 1508013403 NQIGSFDTRYIXSV-RBUKOAKNSA-N 458.611 1.389 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C 1508014152 SQIDVVXHDCWXIS-PWRODBHTSA-N 485.633 1.018 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1508018614 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C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2cnn(C)c2)CC1 1722584116 YASYOTVRDIEFCN-IBGZPJMESA-N 463.608 1.380 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1722730249 MQVYMYXZUNUSIY-JOCHJYFZSA-N 451.637 1.913 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1722731735 QGNUGROORAIFDT-FUHWJXTLSA-N 477.562 1.654 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)CC1 1722738292 FOCSMITUVBNOER-QGZVFWFLSA-N 455.650 1.400 30 10 JDEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C#N)C1 1727928043 HVGSVJZAPQWJPT-FUHWJXTLSA-N 454.531 1.997 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C)nc2)C1 1728686261 CCQFGZSDZIOFPJ-OAQYLSRUSA-N 481.582 1.999 30 10 JDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1729369162 FMGWNRFNIQQMPC-BEIWTESXSA-N 463.585 1.263 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)C(C)C)c1 1740563577 VHEXMRKHPZBRDK-GOSISDBHSA-N 451.531 1.058 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1740615368 BWFHAUFUOBFNBA-MRXNPFEDSA-N 499.622 1.814 30 10 JDEE C#CCN(c1nnc(CC)n1Cc1ccc(OCCN2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 1740627191 ZBBFXLNFFPLCBO-OAQYLSRUSA-N 471.627 1.990 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1740640687 UBIGWENSFBRRJK-HBMCJLEFSA-N 476.647 1.052 30 10 JDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(OC)CCOC1 1740658990 SCSBCASURHBACF-HHHXNRCGSA-N 476.625 1.911 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCN2CCOC2=O)CC1 1740703398 QZFFGNBPYSYKGM-UHFFFAOYSA-N 496.568 1.770 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC2(C(N)=O)CCOCC2)CC1 1740704520 RLGBNBUZLKLSPS-UHFFFAOYSA-N 484.988 1.846 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1N1CCOCC1 1740773814 DSYKWSBQTOKZHW-IBGZPJMESA-N 460.604 1.863 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1740954744 FOUOSNYKUZDCQJ-ROUUACIJSA-N 468.558 1.758 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740962640 KBXTTWRJFKJSDI-UHFFFAOYSA-N 478.601 1.299 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCC3)nc2)C1 1740973383 WVBDZYAKUAGOCK-PKOBYXMFSA-N 475.619 1.713 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1740990805 FWNSDSISAQRZNO-SJLPKXTDSA-N 459.572 1.833 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1740991752 CUWIBMUQUIXEKV-LJQANCHMSA-N 480.635 1.501 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1748651184 JXEXABKPJFNQHD-BLRPHQBRSA-N 497.581 1.180 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc2ccccc2[nH]1 1748670853 CYRXYCNYEBIGLI-JXFKEZNVSA-N 456.572 1.793 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1748734689 HRWBLOSBTSDKTN-IEBWSBKVSA-N 456.572 1.324 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCOc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1748801685 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CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1766244972 HWZJCCGSCIBGGE-QGZVFWFLSA-N 470.541 1.720 30 10 JDEE CNC(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccccc2C#N)CC1 1767814954 GKOATTSFYMYTMA-UHFFFAOYSA-N 478.582 1.604 30 10 JDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@H]2C)CC1 1769150952 FDYFGRQDJPPIDL-LJQANCHMSA-N 467.574 1.508 30 10 JDEE C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@H]1CC[C@]2(CC#N)O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O 1848437859 NABJBPJRLFFNEZ-RIVDBOPCSA-N 487.549 1.754 30 10 JDEE COc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)cc1OC 1870098712 SIXAIHUJACFPFV-UHFFFAOYSA-N 483.554 1.709 30 10 JDEE CCOc1ccc(-n2nnc(C#N)c2NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 1870140312 KHGHLTCIDPOHGZ-UHFFFAOYSA-N 480.481 1.932 30 10 JDEE C=CCn1cc(OCC(=O)Nc2ccc(C(=O)OCC)cc2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870706385 ZGEDGPFIPRBDIW-UHFFFAOYSA-N 496.564 1.893 30 10 JDEE C=CCn1c(C(=O)NCCCN2CCOCC2)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873593460 BSXUMAVCVWDTTG-UHFFFAOYSA-N 470.574 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CC1(C)OB(c2cc(S(=O)(=O)N3CCC(NC(=O)C(F)(F)F)CC3)ccc2F)OC1(C)C 2286119026 BPNGXOIQZRBRAP-UHFFFAOYSA-N 480.289 1.957 30 10 JDEE C[C@H](C#CC(=O)N1C[C@H]2C[C@@H](C1)[C@@H](NC(=O)OC(C)(C)C)[C@H]2CO)NC(=O)OC(C)(C)C 2318676927 IIPRYGQOHMLSFI-QLCXLMDBSA-N 451.564 1.883 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2366675951 BOKWAMHGNGPFEK-SOUVJXGZSA-N 482.412 1.396 30 10 JDEE CN(C)c1ccc(/C=N/Nc2nc(SCC(=O)Nc3nnc(SCC(N)=O)s3)n[nH]2)cc1 20832784 JXFLGUAKUDKCOD-FBCYGCLPSA-N 492.616 1.476 30 10 JDEE CCOc1cc([C@@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)ccc1O 101442874 JFQWMQWUMGCXCS-YOEHRIQHSA-N 467.482 1.441 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(OCC)cc3)c2)CC1 680761420 RMZXAUBDNXGEJC-UHFFFAOYSA-N 486.594 1.946 30 10 JDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)[C@@H]1CCS(=O)(=O)C1 729332089 UTXDCIQPLGJKCX-OAQYLSRUSA-N 478.636 1.615 30 10 JDEE C[C@H](c1cccs1)n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn3ccccc23)c1=O 729672300 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C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1286493087 LEWVHBHWOPUNSW-OAQYLSRUSA-N 471.650 1.385 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NC)CC1 1286504635 OVSJDJIWXDBTNP-UHFFFAOYSA-N 465.583 1.521 30 10 JDEE C=C(Br)Cn1c(N2CCN(C(=O)NC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286548079 LPVNPCBTJCUHIA-SFHVURJKSA-N 457.373 1.689 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1286646040 LUMAHGOFJYXDCY-GOSISDBHSA-N 496.634 1.634 30 10 JDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1286688472 XLLQCFABDMYTAI-SFHVURJKSA-N 461.592 1.722 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(F)c2F)CC1 1286779451 RJJXTIRJJZQRKA-UHFFFAOYSA-N 459.501 1.421 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCSCC2)cc1 1286797591 XKGWEOOVCOTFEE-LJQANCHMSA-N 479.628 1.777 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1286808480 WUBGLIPXSWFSRC-BTYIYWSLSA-N 468.526 1.478 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C2CCC2)C1 1286810373 QBQMLNXSZNTHIP-ZWKOTPCHSA-N 451.593 1.268 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(=O)N(C)C)C1 1286811617 GBNRKRKFFMJHBW-JOCHJYFZSA-N 467.618 1.512 30 10 JDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CCO1 1291279066 HVAGCWNCNLEJOL-FUHWJXTLSA-N 460.560 1.378 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)CCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)CC1 1297518219 YNXKEBZHYNJHKX-UHFFFAOYSA-N 453.587 1.535 30 10 JDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1298011015 FIOUQKSFBGIADK-HXUWFJFHSA-N 453.547 1.118 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1300410216 LYXKJYWJAOJPLI-FQEVSTJZSA-N 491.639 1.246 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc2ncccc2c1)[C@H]1CCS(=O)(=O)C1 1300479934 VOFXSKYHPSBWDF-IBGZPJMESA-N 466.567 1.640 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1300489867 UMNCJPRCLDDELG-UZUQRXQVSA-N 487.582 1.067 30 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JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)COCC3)C1 1301540047 ZEJBGFHCCHMFBU-UZLBHIALSA-N 461.588 1.791 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNc2nccc(C(F)(F)F)n2)C1 1301555663 XYLCVZCNWGHDHD-UONOGXRCSA-N 466.468 1.931 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1301586760 IXGKYPLBJHFFNM-UHFFFAOYSA-N 461.588 1.689 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(N2CCCC2)nc1 1303835651 DBKDCKDOVRUIDK-FOIQADDNSA-N 462.555 1.374 30 10 JDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC2)CC1 1315751263 CQGBEMHNLVFYGT-UHFFFAOYSA-N 453.547 1.120 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1358958130 IFVNPAWSDXSNRB-KRWDZBQOSA-N 466.585 1.012 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(OC)CCOC1 1358981423 JAGJKCRRDRUWDY-SANMLTNESA-N 462.598 1.521 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(F)ccc1N1CCOCC1 1358992313 IHPCRHLRDLCKGJ-HXUWFJFHSA-N 450.518 1.716 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@](C)(O)c1ccccc1 1358994426 NDFOTHOEZXCVSU-XUZZJYLKSA-N 485.610 1.372 30 10 JDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCN/C(O)=C1/N=CC=CC1=O 1359012838 AVDXXZKAYVOPQB-ZZEZOPTASA-N 453.528 1.256 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2ccccc2)n1 1359024546 PIOFZXDXNLJPNC-GOSISDBHSA-N 455.540 1.970 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359101246 MJIPFKZPFGVBEK-IRLDBZIGSA-N 481.601 1.418 30 10 JDEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1359122039 UOJRIUNZYVEHJM-UHFFFAOYSA-N 474.635 1.794 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1359327056 QSYQVACGJFDCEZ-RBUKOAKNSA-N 466.652 1.525 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)cc1F 1359332730 FUAGAGRNSDSDRB-HNNXBMFYSA-N 474.555 1.696 30 10 JDEE C#CCN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)[C@H]1CCS(=O)(=O)C1 1459737407 BWLRXMJWJFOKBG-ZWKOTPCHSA-N 458.584 1.478 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1502372169 DIKZCUPFLQTDQC-UHFFFAOYSA-N 453.547 1.274 30 10 JDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C(C)C)CC1 1504536664 GLONEFCPCXMNBA-QHCPKHFHSA-N 456.547 1.431 30 10 JDEE C#CCN(c1nnc(C2CC2)n1CCNC(=O)c1ccc(C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1507631276 NOCRVYPFQKLVCL-GOSISDBHSA-N 459.547 1.660 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1507640601 UHXOQNMMEFKRHI-GOSISDBHSA-N 473.599 1.564 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(OC)CCOC1 1507662609 LTVGULBBIOFRGI-QHCPKHFHSA-N 471.583 1.464 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)C1CCCCC1 1507690715 VWJFABFNJDTZHW-HXUWFJFHSA-N 466.652 1.725 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2C[C@H]2CCS(=O)(=O)C2)n1 1507716598 MCEAFHXPYJDUBZ-LJQANCHMSA-N 483.598 1.566 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1507732373 GKSYLUAIBSWVEI-ZCNNSNEGSA-N 482.576 1.113 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cc2)CC1 1507739159 NSAMLCHSDYKLKZ-GOSISDBHSA-N 459.547 1.333 30 10 JDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1507842690 KPRPABNZNDIFIL-UHFFFAOYSA-N 451.535 1.092 30 10 JDEE C=CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507940944 ALOTVPFCTCLZAA-SFHVURJKSA-N 468.558 1.856 30 10 JDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1507961833 HHXQIUMDIFMVEK-UHFFFAOYSA-N 454.535 1.967 30 10 JDEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCN(C)C1)C1CC1 1507989013 VDZMJXRAGSGKTJ-QFIPXVFZSA-N 460.604 1.417 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1508084936 QVNSDXHWAUZIQF-HNNXBMFYSA-N 451.453 1.071 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCN(CC)C(=O)C1 1508087695 DHABOGVECQLXID-GOSISDBHSA-N 489.621 1.753 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@H](C)C1 1508129251 AZFLYLLUUIHMRI-CVEARBPZSA-N 483.616 1.277 30 10 JDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1518958168 FBKXSDWIMJDECW-HYBUGGRVSA-N 454.575 1.763 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CC(=O)NCC(F)F)c1 1539045609 FXDJRYJFCKWDBT-UHFFFAOYSA-N 484.511 1.577 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1539207185 ZRQRTMHKWSDKQA-GBXCKJPGSA-N 488.610 1.944 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539211344 HWHWLQQABXSWOX-GOSISDBHSA-N 487.582 1.115 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539224960 KTJHEVHOAVKXDL-OAQYLSRUSA-N 472.615 1.003 30 10 JDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1cccc(OC)c1 1539259533 FCXZNOSNWGBVCJ-UHFFFAOYSA-N 460.494 1.517 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)n1 1539265999 LGWLDHDPQADDOZ-MRXNPFEDSA-N 482.488 1.146 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C(C)(C)C 1539325070 BBZAMOLAORPCHT-QZTJIDSGSA-N 451.593 1.135 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)c(F)c1 1539556834 IDHYXWQICIGZIA-NFBKMPQASA-N 491.589 1.994 30 10 JDEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 1540033579 MAQYAMZZVDXKCD-HNNXBMFYSA-N 458.544 1.810 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cnc3c(Cl)cnn3c2)C1 1540884886 XDNSNGGOALFZON-GDBMZVCRSA-N 495.009 1.608 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccc(O)c2)CC1 1540897499 KOGXGIJEKTYTFN-UHFFFAOYSA-N 497.581 1.558 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1540905653 VFYRHSSJKGWZQG-KRWDZBQOSA-N 466.652 1.257 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](C)Oc1ccccc1F 1541834809 FRSAUPGOZDKDRV-BIENJYKASA-N 454.503 1.937 30 10 JDEE CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 1542959094 AKPKWOXXTQUGRF-OAQYLSRUSA-N 450.561 1.925 30 10 JDEE Cc1noc(C)c1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1543387162 GKBUHSZUWOCLSA-UHFFFAOYSA-N 456.528 1.811 30 10 JDEE C=C[C@@H]1OCC[C@H]1NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 1544784967 URWKKBVCMCSVDT-XLIONFOSSA-N 462.572 1.469 30 10 JDEE C#CCCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)CC1 1561172305 UOSSMAIBSJLJDT-KDURUIRLSA-N 453.630 1.683 30 10 JDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@H](C(F)F)N1CCOCC1 1587985166 UXJDKECXTIJPGO-LJQANCHMSA-N 474.560 1.878 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1588034575 IPVJLVOCWMVJHW-RCCFBDPRSA-N 478.546 1.599 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1588039695 CECWKEVGNAPAIH-FUHWJXTLSA-N 460.556 1.768 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1588872141 XKOUYXDCPMTIOJ-UHFFFAOYSA-N 465.602 1.085 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1589047539 ADIUVVLMGVVVBC-UHFFFAOYSA-N 467.603 1.425 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1589053842 VQIODROTRIZKOE-YOEHRIQHSA-N 462.601 1.440 30 10 JDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1589060808 ZABKFJBYLUSKIU-RBUKOAKNSA-N 483.660 1.517 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1595156654 OOFHAGITWQTOEZ-MRXNPFEDSA-N 452.602 1.976 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1595529973 OKFGBKISYDKWGO-UHFFFAOYSA-N 462.558 1.181 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](N2CCCC2=O)C1 1595805171 LKECJTKRNMYWNU-MRXNPFEDSA-N 479.553 1.949 30 10 JDEE Cc1cccc(-c2nnc(N3CCN(c4cccc(F)c4C#N)CC3)n2CCS(=O)(=O)N(C)C)n1 1612209168 ACCVYEAUXOSMOD-UHFFFAOYSA-N 498.588 1.877 30 10 JDEE COCC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCNS(C)(=O)=O)CCOCC1 1619646071 DPRPQXBEKRTSGO-UHFFFAOYSA-N 462.576 1.245 30 10 JDEE C#CC[C@H](CCOC)NC(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 1622810236 CNRTYCZLSNGGAK-HXUWFJFHSA-N 450.543 1.918 30 10 JDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(Br)cc(C(=O)OCC)c2)CC1 1655103822 YUGBJLMWEFLTEM-UHFFFAOYSA-N 457.346 1.776 30 10 JDEE N#C[C@@H]1CN(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CCN1Cc1ccccc1 1678721759 HUBMRRSWHWHQJC-QGZVFWFLSA-N 459.494 1.720 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1689851397 QCHURIIEXFMRSG-ACRUOGEOSA-N 470.643 1.849 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC(=O)NCC(F)F)c1 1689870397 MNPDURRQVLKBNJ-UHFFFAOYSA-N 456.457 1.116 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc([C@@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1689992938 RHAVRQFUKXZSHK-GCJKJVERSA-N 465.579 1.992 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1690731755 QFLNDHDWFBGOMA-GOSISDBHSA-N 457.560 1.324 30 10 JDEE CC[C@@H](C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1693948280 HPULBNOGTMGCAB-WZONZLPQSA-N 490.630 1.998 30 10 JDEE CC[C@@H]1C[C@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1694818442 HZJIULFDVKDWCD-CECAUBDESA-N 459.572 1.903 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](c1ccc(C)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705565636 ILSKURJUBQFDKV-YADHBBJMSA-N 481.626 1.917 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1705570129 MXMFUJNVUZVYJB-MPQSDHOMSA-N 464.613 1.487 30 10 JDEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705728702 SMVOOENBDQYKPV-CVEARBPZSA-N 459.551 1.073 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705827079 SSGFWVUZXJQDLB-QGZVFWFLSA-N 460.560 1.155 30 10 JDEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1705829717 AWUDINGYHAAOST-ZWKOTPCHSA-N 478.594 1.846 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCc2sccc2C1 1705884368 MRFBBDAELKJAHF-SFHVURJKSA-N 465.645 1.939 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(F)(F)F)CC1 1705900517 GOEFEWHRILVYAM-UHFFFAOYSA-N 490.490 1.179 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCCCC2)C1 1705925887 VQNDORRIMRZTHI-ROUUACIJSA-N 451.593 1.364 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1cccc(F)c1 1706074647 BVVXETINNYUXDN-GJYPPUQNSA-N 480.566 1.813 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)CC(F)(F)F 1706076442 CXSMSNBFDWEXLV-GJZGRUSLSA-N 481.545 1.091 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1710314225 CTLYLHJNQOOJTK-IBGZPJMESA-N 494.600 1.931 30 10 JDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)C1 1711317851 FVORHIXCQGFCNA-DEOSSOPVSA-N 451.575 1.626 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1722316065 APVWEADWXITOMO-KRWDZBQOSA-N 486.598 1.525 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC2CCCCC2)CC1 1722333207 TXXUNROZJRWUGA-NRFANRHFSA-N 478.663 1.727 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1722333288 VCOJXSRJIBZRJT-SFHVURJKSA-N 473.603 1.499 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1722361321 HENDOUIPVFPYRI-GOSISDBHSA-N 486.985 1.850 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1722368433 RMIRCHFADXZCED-IEBWSBKVSA-N 480.587 1.189 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1C 1722384814 URKQQRYWHIBRIH-NRFANRHFSA-N 455.584 1.543 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)Cc1ccccc1 1722385005 XHTUTJXZYWIXPW-IFMALSPDSA-N 484.626 1.204 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCNC(=O)c2occc2C)CC1 1722440182 FNTMKYSBAMLDNV-UHFFFAOYSA-N 464.574 1.616 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Oc2ccccn2)C1 1722460845 JQJFDMNMWOKPNB-ROUUACIJSA-N 492.627 1.030 30 10 JDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722461221 PSFRGCKZNKYGCK-UHFFFAOYSA-N 462.583 1.451 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1722523227 ICXPCKBJJCMMOY-IRXDYDNUSA-N 468.624 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C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1748906430 SVEJDDDSDUOJFN-ROUUACIJSA-N 471.587 1.589 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1748915136 UPTKPUWKUOHHAI-NRFANRHFSA-N 486.642 1.751 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)F)C1 1749038381 QWQXJXRMCPLRME-LSDHHAIUSA-N 463.576 1.459 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1749228508 AXBPTITUMGWHKS-HXUWFJFHSA-N 477.635 1.219 30 10 JDEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C 1749457839 RECCXGZHEPZNTL-ZWKOTPCHSA-N 478.594 1.846 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1749676926 IIFKOLOPRSDUHQ-JOCHJYFZSA-N 452.603 1.914 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccnc(OC2CCOCC2)c1 1751215881 BGOKJUNIPUKJEB-VFNWGFHPSA-N 493.565 1.331 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCOC(C)(C)C1 1760102294 HTTULUCDFIQTIG-SFHVURJKSA-N 474.631 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30 10 JDEE CO[C@@H]1CN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1NC(=O)OC(C)(C)C 2282860645 DRKAYQDGHQNNIT-ZWKOTPCHSA-N 482.408 1.898 30 10 JDEE Cc1ccc(NC(=O)[C@@H]2[C@@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2284118823 MEMATUVZRFEOOO-SQNIBIBYSA-N 462.352 1.574 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2315685490 WDWSHJBSOBHNLO-TZMCWYRMSA-N 453.370 1.400 30 10 JDEE COCC1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN(C(=O)OC(C)(C)C)C1 2337193048 SDBCOZNOBALYSA-UHFFFAOYSA-N 450.345 1.085 30 10 JDEE CC(C)(C)OC(=O)N1CC2(COCCN2C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337404923 KPJHUTNOZXFTFU-UHFFFAOYSA-N 465.381 1.904 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2360583216 CIZFTKQJMBJCCX-QGZVFWFLSA-N 482.408 1.540 30 10 JDEE CN1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)[C@H](CNC(=O)C(F)(F)F)C1 2364742619 BVMXGEVJEQQULS-MRXNPFEDSA-N 452.286 1.656 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(c3ccccc3)CC2)CC1 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Cc1ccc(NC(=O)CSc2nnc(NN=Cc3c(C)nn(CCO)c3C)n2N)cc1C 1084456306 NZQBTKQFWODHGP-UHFFFAOYSA-N 457.564 1.591 30 10 JDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(OC)c1Cl 1286361389 OLLMUPVYRGUTCR-ZDUSSCGKSA-N 455.968 1.871 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1286383670 MYXXSSYDUMRJFP-TWEIKEKHSA-N 474.583 1.510 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1COCCC)[C@@H]1CCS(=O)(=O)C1 1286389930 SZUQDXUREPGTRW-RTWAWAEBSA-N 485.610 1.831 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1286466930 LVICONFWGZVLFD-SFTDATJTSA-N 488.610 1.791 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)N(C)Cc2ccccc2)CC1 1286479131 FWOGYESBVJPBJG-RBBKRZOGSA-N 470.643 1.456 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCNC(=O)C2CCC2)CC1 1286492601 NGWVRQWYCTWCSX-UHFFFAOYSA-N 480.617 1.412 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2(O)CC2)CC1 1286494441 TXKKQURINXNJPP-LJQANCHMSA-N 486.617 1.883 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)[C@H](C)CC 1286522841 OAACZJOMQLVWJU-OVQGTLEDSA-N 453.609 1.400 30 10 JDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 1286683660 WWUUJAWXFKEQOF-KRWDZBQOSA-N 458.592 1.838 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COCCO1 1286744637 KFXHXLCCRKIACT-ICSRJNTNSA-N 495.577 1.358 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCS1(=O)=O 1286744717 KWTNNNSGXSSQHF-GOSISDBHSA-N 497.618 1.547 30 10 JDEE C=CCSCCn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OCC)CCOC1 1286834435 FJJCFNNKVWMUJL-UXHICEINSA-N 456.634 1.864 30 10 JDEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1286835322 UREIHMIEKLEOCB-UHFFFAOYSA-N 476.647 1.437 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1300409344 HUCSCIDQVPRVNF-NHCUHLMSSA-N 489.598 1.611 30 10 JDEE C#CCN(c1nnc(C(C)C)n1C[C@H](Cc1ccc(F)cc1)C(N)=O)[C@H]1CCS(=O)(=O)C1 1300484171 OZMUFBQPKAFAJA-HKUYNNGSSA-N 461.563 1.512 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCSC1 1300648594 GDGLSOCSWSTVNV-UWJYYQICSA-N 464.588 1.827 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2nc(C)cs2)CC1 1300710990 RFKWIYNSKFTUAP-UHFFFAOYSA-N 457.604 1.976 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2F)CC1 1300871507 CHSAPEXKTXWPBS-SCTDSRPQSA-N 493.609 1.730 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300894390 AXHOSWKBRNLYOY-VAPSRWTKSA-N 490.649 1.630 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1300894992 KOVHTIIOKGDZAV-HVTWWXFQSA-N 468.620 1.997 30 10 JDEE C=C(Cl)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1301049896 HMDCPFSQQNJLCS-UHFFFAOYSA-N 472.977 1.923 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1301587974 ZHIMYLMWPUOGHB-UHFFFAOYSA-N 487.626 1.949 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)COC)CC1 1301596102 HXDQDDOWLXOOAC-IEBWSBKVSA-N 483.635 1.093 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1301612230 KUDGGVKQCWVGAG-IRXDYDNUSA-N 455.650 1.985 30 10 JDEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)CC1 1313698595 AGHOANVWTWSMMH-OAQYLSRUSA-N 467.574 1.223 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 1316532944 BQLLATYQGZVATR-KRWDZBQOSA-N 463.585 1.122 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CCCCC1)N(C)C 1358891044 YVYYONQOLUUYIH-SXLOBPIMSA-N 466.652 1.579 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358956377 DXZWTUKIXGXIQQ-GJPOJAMWSA-N 480.631 1.618 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1358956659 JCUHOFSUKBRMCO-JTSKRJEESA-N 493.561 1.170 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1358964529 APKHIYACCCCZHW-QZTJIDSGSA-N 450.586 1.363 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358965416 UYQPKKTYONJLGH-RXVVDRJESA-N 475.590 1.355 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)CN2CCCC2)CC1 1359037903 CJVOOTUOUIMZKZ-LJQANCHMSA-N 455.632 1.757 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1359043562 YYUSSSYONHBSPB-FQEVSTJZSA-N 478.597 1.714 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCNC(=O)OC(C)(C)C)CC1 1359043667 CTEOOLUWEWMANN-UHFFFAOYSA-N 470.578 1.559 30 10 JDEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359053461 OCUDPVSHVQTLOD-UHFFFAOYSA-N 456.547 1.378 30 10 JDEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1359061542 FUQPJRQGOIUJQY-KRWDZBQOSA-N 461.613 1.897 30 10 JDEE C=C(Br)Cn1c(C2CC2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1359082391 HKKXTSAUVDXAQP-UHFFFAOYSA-N 462.414 1.941 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1359202952 FZGJHSSWNIBFIW-VQTJNVASSA-N 482.651 1.126 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ncccc2F)CC1 1359203568 RBGBEDFDCOMCKP-LJQANCHMSA-N 493.609 1.828 30 10 JDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1359287388 AKGJNVWWTOCESR-MRXNPFEDSA-N 463.535 1.233 30 10 JDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1359297761 AWGVYOWKKARBNZ-UHFFFAOYSA-N 471.587 1.211 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NCC)CC1 1359305176 VJNOCIVXSIZQMU-UHFFFAOYSA-N 461.954 1.664 30 10 JDEE C=CCNC(=O)Cn1c(N2C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C 1359305614 ILBMZVACWFUCIH-HZPDHXFCSA-N 478.594 1.628 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1359315042 MUQQBECBDBVQPM-XLIONFOSSA-N 452.964 1.929 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1359327014 PNWJIYZWVMUDER-HXUWFJFHSA-N 480.679 1.965 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1359342562 AICDVDUGPADPPW-RTBURBONSA-N 468.693 1.316 30 10 JDEE N#C[C@H]1CSCCN1C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1458379343 FDNOVLCYKKNSNK-AWEZNQCLSA-N 450.542 1.237 30 10 JDEE C[C@@H](NC(=O)CCc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1464022897 DRHNYABGKHDATP-GOSISDBHSA-N 454.552 1.529 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)CC1 1471450961 LZMJBSFMSJACGJ-NRFANRHFSA-N 454.552 1.160 30 10 JDEE CCCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1501201237 CLIGZDYYNNXLDB-IBGZPJMESA-N 451.531 1.675 30 10 JDEE CS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)CC1 1505123342 GIPLZHCWVDJOEY-UHFFFAOYSA-N 458.544 1.672 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1507587761 ABNLCCLMRGAUFA-NHCUHLMSSA-N 473.599 1.472 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507630230 VHCCLDLUTPERLD-IBGZPJMESA-N 468.583 1.606 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1507709145 SGQHTABSYVEBLI-UYAOXDASSA-N 458.588 1.630 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1507740937 QYUBIPJHJHLWAY-CLOONOSVSA-N 467.570 1.671 30 10 JDEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)[C@H]1CC 1507743704 ISDPAQAAJXXFBW-QGZVFWFLSA-N 460.991 1.943 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1507759903 PLVODTJSTOWQCB-ACRUOGEOSA-N 463.648 1.917 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@@H](C)O[C@H](C)C1 1507763315 ADMUNLUGMMMBTE-DCXXXQMHSA-N 452.625 1.380 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1507835834 NHGPBEBUTLDYFJ-SFHVURJKSA-N 478.594 1.837 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CCOC)CC1 1508071749 DLABPCSAVMMBCD-UHFFFAOYSA-N 450.547 1.406 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@](O)(c3cccc(F)c3)C2)nnc1[C@]1(OCC)CCOC1 1508099446 XQDPPEMEUXIYKV-PKTZIBPZSA-N 459.522 1.469 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](n3cc(C)cn3)C2)nnc1[C@]1(OCC)CCOC1 1508149028 NMXZVSAAJKIVPY-UGKGYDQZSA-N 478.619 1.877 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1539206468 PLYMBVYRHZXDSP-DNVCBOLYSA-N 498.403 1.468 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1539230269 FPCZGZIUIARFDH-WHZJULEDSA-N 480.631 1.690 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCN1CCCO 1539257625 MVUACSAXIXHXAY-IBGZPJMESA-N 469.615 1.158 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)no1 1539391214 BGFRVGPETGESMD-FQEVSTJZSA-N 488.545 1.735 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1539428636 VFGSRZSNIVZMPC-UHFFFAOYSA-N 477.491 1.654 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NC(=O)COC)CC1 1539499137 FKKDHTHEYSXKND-UHFFFAOYSA-N 491.639 1.446 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1539689009 ZHPTVLWSSIGJGU-UHFFFAOYSA-N 474.631 1.915 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1539848015 KSGDTUUTOCYHFC-ZCNNSNEGSA-N 466.652 1.888 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2c(F)cc(F)cc2C1 1540902531 LLWBPXLGRMEBAF-QGZVFWFLSA-N 451.499 1.671 30 10 JDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(N(CC)CC)nc2)CCOC1 1547918860 HSCLXAGIXAIZRU-CVDCTZTESA-N 455.563 1.948 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2c[nH]cc(I)c2=O)c1 1558394364 HYQXTFNWXCEGIU-UHFFFAOYSA-N 459.265 1.696 30 10 JDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1583897382 ADBDNXMHHNVYCT-GOSISDBHSA-N 451.545 1.152 30 10 JDEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1587878615 CCTJHGADNMROGH-JOCHJYFZSA-N 470.643 1.680 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(COCC)cc1)[C@@H]1CCS(=O)(=O)C1 1588049668 KQWZWTXDUNXNDA-OAQYLSRUSA-N 468.583 1.890 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC[C@H]1CCCO1 1588124171 DHVDWSDMZXSIJF-LJQANCHMSA-N 460.538 1.851 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1588384759 ATJYLXIGPSPJFA-DLBZAZTESA-N 484.623 1.326 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)O 1588550607 VRWLVJCIZDHUBO-GOSISDBHSA-N 465.551 1.161 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCn2nc(C)cc2C)CC1 1588885754 YRQDVODMUFAXNU-UHFFFAOYSA-N 466.590 1.384 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCCNC(=O)OC(C)(C)C)CC1 1588885823 ZMMAHRUISDOZON-UHFFFAOYSA-N 489.621 1.687 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(OC)n2)CC1 1593885949 OUUBPXFPOIJYPB-AWEZNQCLSA-N 453.956 1.058 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2cnccn2)CC1 1595466187 GCHHOFBHZYARFK-UHFFFAOYSA-N 475.557 1.566 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1595501173 NFPAPTJLKQLAQE-QFIPXVFZSA-N 462.602 1.724 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC(C)(C)C)CC1 1595798666 RYMFNLOAIOJGBV-MRXNPFEDSA-N 474.649 1.565 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1595811789 APPZGHKAQJMPIX-UHFFFAOYSA-N 498.584 1.966 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1595830424 BNSALPUCBLRIFS-PKTZIBPZSA-N 497.662 1.221 30 10 JDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN([C@@H](C)C(=O)NCCCOC)CC3)n[nH]2)c1C 1616471665 NUAODOOJKSEEIO-SFHVURJKSA-N 457.579 1.375 30 10 JDEE CO[C@]1(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@](F)(C#N)C2)CCOC1 1619049614 BTAKKSJLJCOVEK-SFTDATJTSA-N 478.550 1.443 30 10 JDEE COC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)Cc2ccon2)C1 1619708432 DPOVBUUFJJBRFE-QGZVFWFLSA-N 471.543 1.397 30 10 JDEE COCCN(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1619880894 HQACSMPDABOWGA-SFTDATJTSA-N 488.614 1.208 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1Cc1ccc(NC(C)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1689984410 OUVLVQPGKNABAZ-HXUWFJFHSA-N 464.551 1.974 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCNC(=O)Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1689986932 ZULMGISVEZUMOA-NRFANRHFSA-N 496.568 1.465 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1690030216 QNFISCGUQZVULH-AABGKKOBSA-N 484.601 1.904 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2nc(C)cc2C)nc1 1690033440 XJFBYEXWVDASQR-LJQANCHMSA-N 480.598 1.597 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2csc([C@H](C)OC)n2)CC1 1690123994 BYRXKQBBVQCKHE-JKSUJKDBSA-N 464.617 1.148 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccccc2)N(C)C)CC1 1690143967 HXBMDEUHDDTGBR-NHCUHLMSSA-N 463.586 1.498 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)c2cccc(OC)c2)CC1 1690146623 SGFLRMMIQFLZQH-JOCHJYFZSA-N 494.596 1.924 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCNC(=O)C(C)C)CC1 1690148671 OTVXDLFIQFWQBL-UHFFFAOYSA-N 454.550 1.746 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H](C)N2CCOCC2)CC1 1690150443 HTPUVJDXJVYBOM-OAQYLSRUSA-N 480.613 1.586 30 10 JDEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690292812 VCTQKUDAVWAUBR-JOCHJYFZSA-N 487.674 1.737 30 10 JDEE C=CCCOCCn1c(C2CC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1690507286 JGGPBVVJGXDZTB-FGTMMUONSA-N 481.619 1.875 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cccs1 1690596855 CADSPRMVQFKYGX-OXJNMPFZSA-N 467.617 1.759 30 10 JDEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1CCS(=O)(=O)CC1 1691496563 DMOPSWRDEGGRKN-UHFFFAOYSA-N 458.588 1.850 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1705544931 IWXCGTJFODPLKA-OALUTQOASA-N 485.589 1.764 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2cc(C)ccc12 1705551024 FDBGNBYYXZVSLQ-HXUWFJFHSA-N 456.572 1.713 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1705560810 KNKWGHSIPBZHPO-WMZOPIPTSA-N 490.582 1.634 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1705565602 IBSAIULGZDQGMT-HXUWFJFHSA-N 481.582 1.055 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCCN2CCOCC2)CC1 1705641282 YQSGTRDRJCGZFL-UHFFFAOYSA-N 452.603 1.745 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CC(=O)NCCC)CC1 1705642490 VTILDVFBXRUYJM-UHFFFAOYSA-N 475.391 1.901 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N1CCN(c2ccccc2)CC1 1705717066 BQTXFIGNZPKJGE-HXUWFJFHSA-N 486.642 1.931 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2N(C)C)C1 1705737675 XPFZOHFDLJGHKX-GOSISDBHSA-N 460.604 1.797 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)CN2CCCC2)CC1 1705768827 BBNBJGIWQNYZQQ-OALUTQOASA-N 452.625 1.499 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1705890696 CQGUQRDAAKGJOP-HUUCEWRRSA-N 454.578 1.140 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1705898320 HVTFOHUHJBVBQR-OAHLLOKOSA-N 490.494 1.296 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(c2ncccc2C#N)CC1 1705908552 SBWYRHGERQHYIR-UHFFFAOYSA-N 488.552 1.761 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1705931110 GELQRHGYVDXOQP-GOSISDBHSA-N 483.392 1.353 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1705932065 JYPWXCCGTOTDEK-SFHVURJKSA-N 458.588 1.684 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1705932483 UVALMUSGCUUJBG-UHFFFAOYSA-N 451.512 1.476 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1705937883 HSSDSSJMKKELHM-INIZCTEOSA-N 463.560 1.133 30 10 JDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1712875775 HNHCNQZOUPOVPH-HTAPYJJXSA-N 455.494 1.225 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCN(C(=O)OC(C)(C)C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722365100 CQBKLUNMPKBFNC-PKOBYXMFSA-N 493.630 1.808 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 1722367541 NSXUSGXVKYWSGD-LEWJYISDSA-N 458.584 1.994 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(Cl)cccc1OC)[C@H]1CCS(=O)(=O)C1 1722367649 NLGAGPODHKDFET-YOEHRIQHSA-N 477.974 1.566 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1722429384 LIISNVABYVDXTG-UHFFFAOYSA-N 465.602 1.702 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2cccs2)N(C)C)CC1 1722431197 HBIRITXLUUKYED-SJORKVTESA-N 465.649 1.008 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](F)COC)CC1 1722445712 ASJKMDXPIYWMAJ-QGZVFWFLSA-N 491.593 1.189 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2cccc3c2[C@@H](CCC3)C1 1722690039 DELQGUDPEFIIKA-QAPCUYQASA-N 458.588 1.631 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1722693172 FQHPXOHOZMOOOM-UHFFFAOYSA-N 466.995 1.809 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1722726799 IKDQLHOMPQZHFY-KRWDZBQOSA-N 493.659 1.171 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1722751188 QWXBOGCFGHGESM-GOSISDBHSA-N 459.572 1.756 30 10 JDEE Cc1nn(C)c(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1725817229 BUXYQBLWOWMZKQ-UHFFFAOYSA-N 498.613 1.599 30 10 JDEE Cc1nsc(N2CCCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)N(C)C)CC2)n1 1726443951 AIXTZTHWWVTPEC-UHFFFAOYSA-N 451.560 1.782 30 10 JDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C(=O)NCC#C)CC1 1740566262 QTFBIBBKXOQGHH-UHFFFAOYSA-N 496.637 1.965 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(COC)c1)[C@H]1CCS(=O)(=O)C1 1740628642 ZIRIRMIZTHMOAX-PMACEKPBSA-N 492.623 1.002 30 10 JDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCN(CC)CC2)nc1 1740641394 IRSADPOGDHCTLR-UHFFFAOYSA-N 471.613 1.798 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1CCNS(=O)(=O)Cc1ccon1 1740652282 WVRWOVPHXQDEAY-UHFFFAOYSA-N 452.540 1.824 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC(=O)NCCC)CC1 1740703772 DRRHSMGMKQRWSO-UHFFFAOYSA-N 459.554 1.985 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1740750204 OAXQDNHNBXEZIB-CGXNFDGLSA-N 460.623 1.945 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740988518 HKZMOWACOVVDSE-SFHVURJKSA-N 467.979 1.541 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]1c1cnn(C)c1 1740995467 NBJBJJBJIBIGAU-UHOSZYNNSA-N 464.592 1.678 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCC1 1741801513 BIPUAPYFKNGEBV-ROUUACIJSA-N 453.613 1.225 30 10 JDEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC1(CS(C)(=O)=O)CC1 1747187282 GWFZIZVHQVBWBU-UHFFFAOYSA-N 476.578 1.977 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1747602972 BOOZZQFENHOQRD-UHFFFAOYSA-N 483.554 1.264 30 10 JDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1748697454 IRPIEEPQWFBJHY-FPOVZHCZSA-N 457.623 1.599 30 10 JDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1748715187 OAABJHBGSSWSEK-OAQYLSRUSA-N 470.618 1.916 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1748803160 VOPLUXAZVIACEP-IBGZPJMESA-N 482.541 1.934 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCNC(=O)c1occc1C)[C@H]1CCS(=O)(=O)C1 1748819652 RARQYZXMOZSYJY-FQEVSTJZSA-N 496.593 1.612 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCNC(=O)OC(C)(C)C)CC1 1749009350 PEYQWOOMMDXTPO-UHFFFAOYSA-N 468.562 1.616 30 10 JDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1749022574 KNJSCXHHEVVJRS-MRXNPFEDSA-N 465.649 1.711 30 10 JDEE C#CCSCCn1c(-c2cnccn2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1749032858 RYEFCUFYSYWQOR-UHFFFAOYSA-N 451.604 1.899 30 10 JDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1749168905 ACAIWGAVQPZUKJ-OWCLPIDISA-N 482.607 1.119 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1749590661 CSQILHMITZBWAI-LAUBAEHRSA-N 450.561 1.550 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1749664062 VXQSMZJHLOADAX-UHFFFAOYSA-N 490.612 1.909 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CC(F)(F)C2)C1 1749713610 VQESRVZNDWTKOP-CVEARBPZSA-N 461.535 1.438 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(c2nccs2)CC1 1749721749 SNZPIVVURRRUPX-UHFFFAOYSA-N 452.606 1.858 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C)[C@H](OC)C1 1749730938 WKJVMCLUIRTFQZ-RHSMWYFYSA-N 451.549 1.468 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(O)c1 1749735750 VXBMHQYVHCTLHN-MRXNPFEDSA-N 484.600 1.132 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1749739554 GBLCPFKBTUGVCY-UHFFFAOYSA-N 477.562 1.704 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CCc2ccccc2F)C1 1750209130 AJAVANUQOWDSSH-LJQANCHMSA-N 462.551 1.733 30 10 JDEE CC(C)(C)OC(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1750506817 BMDUJBJNJOIFPM-INIZCTEOSA-N 452.581 1.835 30 10 JDEE C#CCN(c1nnc([C@@H](C)CC)n1CCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1760184768 YULGZEFIHPLWNM-FUHWJXTLSA-N 479.628 1.308 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760187827 XZDSVOXUCVQAMT-ZWKOTPCHSA-N 493.580 1.495 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760191510 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458.510 1.759 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1748824189 KUWWWUYKRYSBDR-OALUTQOASA-N 491.589 1.344 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCNS(C)(=O)=O 1748828749 KSYDJCRLGZOKRC-UHFFFAOYSA-N 454.581 1.999 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(=O)NCC(F)F)CC1 1749003629 PZXQGXUEOFQPJE-UHFFFAOYSA-N 496.522 1.682 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)CC1 1749037279 CVKIOMHFADNVAI-AWEZNQCLSA-N 451.540 1.231 30 10 JDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1749606451 YPBUWYAKJMOQMU-LSDHHAIUSA-N 452.585 1.464 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCn2cc(Br)cn2)C1 1749710343 WGFIOILPWXYOCX-HUUCEWRRSA-N 450.341 1.670 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)C1 1749713525 UJGDSGWWYNIDLB-ZGXWSNOMSA-N 481.663 1.849 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCN(Cc2ccccc2)CC1 1760116888 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C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C#N)C1 1760554273 XTLYRSLTDGYHFC-IBGZPJMESA-N 453.528 1.460 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1760555196 ZRUKZOATPJTZGD-DLBZAZTESA-N 450.492 1.723 30 10 JDEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)CC1 1765551865 AFRUUVYEQSVLQS-QFIPXVFZSA-N 480.661 1.859 30 10 JDEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C1 1769215788 FODYWPIIISWTOQ-JPYJTQIMSA-N 454.531 1.497 30 10 JDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccco2)cn1CCN1CCOCC1 1870537848 RWGGYVNTMHZRON-UHFFFAOYSA-N 470.570 1.643 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 2255752829 MMSMYQIRGPMDHE-CYBMUJFWSA-N 456.374 1.007 30 10 JDEE COCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256621959 ARKDRIKKCGKIFU-LBPRGKRZSA-N 456.374 1.518 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267375051 AVEBYMZMKFPQIG-HNNXBMFYSA-N 488.437 1.962 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C 2267537607 IWZVPNREJUZCEC-AWEZNQCLSA-N 452.361 1.160 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]21 2267716493 NWPBLNSUQZBCCM-ZIAGYGMSSA-N 468.385 1.102 30 10 JDEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)nn1 2268648404 YPMHEDKJNJJBIC-CYBMUJFWSA-N 464.357 1.775 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)OC(C)(C)C1 2268676737 NKMYZEZYDOBXDH-GFCCVEGCSA-N 468.385 1.612 30 10 JDEE CC(C)(C)OC(=O)N1O[C@@H]2CCC[C@H]2[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268709579 LEWHHVUKZSLRJO-UPJWGTAASA-N 466.369 1.917 30 10 JDEE CC(C)(C)OC(=O)N1CCO[C@H]2CCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2281984127 APOJHPOSLDUGNW-CVEARBPZSA-N 462.356 1.559 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](C(=O)O)C1 2282181021 AFLXXALTWIYEKK-INIZCTEOSA-N 461.324 1.527 30 10 JDEE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282350288 KRRPAINWXCIQAC-GJZGRUSLSA-N 484.428 1.643 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)n1 2282613075 XUOQEDMSADLYGM-HNNXBMFYSA-N 463.388 1.881 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)n1 2282613952 OKJPJQIJRUJCIA-CQSZACIVSA-N 461.372 1.776 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 2282695841 UOAOKOWROOEETB-SHTZXODSSA-N 463.388 1.928 30 10 JDEE COCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283067101 DHFITIMUJZPLIT-UHFFFAOYSA-N 462.356 1.578 30 10 JDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)OC(C)(C)C 2284049029 RAOIYUBUOSIZJB-SQNIBIBYSA-N 462.352 1.574 30 10 JDEE C[C@H](OCc1ccccc1)[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)O 2284412495 VPOTUKPCHPAGBC-WMLDXEAASA-N 479.364 1.056 30 10 JDEE Cc1ccc(C(=O)NCC(CO)(CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2286171984 IRUGYYLQSMZAOD-UHFFFAOYSA-N 464.368 1.272 30 10 JDEE Cc1ccc(OC[C@H](O)Cn2c(NN=Cc3cccc(O)c3)nc3c2c(O)nc(=O)n3C)cc1 2327754054 BZTMUSKBMFEPNU-QGZVFWFLSA-N 464.482 1.736 30 10 JDEE CCCCCCCCCC=CCCC=C[C@@H](O)[C@H](N)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2333271018 HWRVJNPAUIAOKZ-CRJLIHAFSA-N 459.624 1.524 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=c2[nH][nH]cc2CNC(=O)OC(C)(C)C)n1C 2380487155 GOBKCJWECNCYBK-UHFFFAOYSA-N 460.344 1.450 30 10 JDEE Cc1ccc(S(=O)(=O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H]3OC(C)(C)O[C@H]23)cc1 39474152 CQZZVOYVIBCNRU-NVQRDWNXSA-N 461.500 1.540 30 10 JDEE CN(C/C=C/C#CC(C)(C)CO[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)Cc1cccc2ccccc12 44020931 XWKOYVRIRYSRSH-DSRSGAICSA-N 483.561 1.766 30 10 JDEE in-vitro COCCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)cn1 59914000 ZVXSECHXWJZYPE-QPSGOUHRSA-N 451.463 1.290 30 10 JDEE N#Cc1cc(S(=O)(=O)NC[C@@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)C2CC2)ccc1F 488700197 VGXFUGXUTQBVSI-LJQANCHMSA-N 466.491 1.744 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(CC(=O)NC4CCC(C)CC4)CC3)cc2C1=O 514336245 BWAVAMAOPUUWOE-UHFFFAOYSA-N 452.555 1.921 30 10 JDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1[C@@H](C)c1cccs1 729672478 QANHCTQOMKZWLP-HOTGVXAUSA-N 493.614 1.882 30 10 JDEE O=C(O)c1ccc2[nH]c3c(c2c1)CN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)CC3 914497783 DCMBTEFVISULCF-UHFFFAOYSA-N 452.492 1.880 30 10 JDEE COc1ccc(C(C)=NNc2nc(Sc3nc4c(=O)n(C)c(=O)n(C)c4[nH]3)n[nH]2)cc1OC 1083962271 YNSVOHAIEZKMMB-UHFFFAOYSA-N 471.503 1.083 30 10 JDEE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=NNc1nc(SCC(=O)NCCO)n[nH]1 1084114527 IQGUHIFPIFXBRV-UHFFFAOYSA-N 483.602 1.936 30 10 JDEE CC(C)n1cc(C=NNc2nc(SCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n[nH]2)cn1 1084638225 VRPIXGIHRLBNJJ-UHFFFAOYSA-N 453.488 1.643 30 10 JDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)C[C@]3(O)CCN(Cc4ccccc4)C3)CC2)o1 1175014047 CVAMINVACYIHMP-XMMPIXPASA-N 452.559 1.072 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CC[C@H](O)C1 1286271850 WEINHZVIZQFCGO-RXVVDRJESA-N 459.554 1.998 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N2CCSCC2)CCCC1 1286296026 LWDQVHWEHBQGKK-MOPGFXCFSA-N 496.703 1.431 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)N2CCOCC2)c1 1286309647 TWHLIFDDQTUJFD-RXFWQSSRSA-N 496.612 1.707 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CC2)C(=O)C1 1286340194 VMECYLXVBSPFTQ-UHFFFAOYSA-N 456.572 1.420 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OCCOC 1286376602 MFCGXGDHWYOSBW-HXUWFJFHSA-N 477.587 1.062 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1286399091 YGTITZVIGBYQQD-KZNAEPCWSA-N 486.660 1.258 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCC(C)CC1 1286432012 VSCWNVUKLMXEQU-KQVJYAISSA-N 477.631 1.669 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(OCC(N)=O)c2)CC1 1286488176 VEXKWHMZLAHDQM-UHFFFAOYSA-N 476.537 1.725 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2csc(COC)n2)CC1 1286494135 ZWJMLLSMBADELM-UHFFFAOYSA-N 482.614 1.757 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1286496345 QXAHFZIZLHBHEE-KRWDZBQOSA-N 493.597 1.689 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC2CCOCC2)CC1 1286514548 KIPRFFKXWJKGRU-SFTDATJTSA-N 463.648 1.917 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(C)cc1 1286523258 SHVSDZJFKBMAPD-NFBKMPQASA-N 473.599 1.991 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCOCC2)C1 1286546365 IUDOCACFJCEVEX-KSZLIROESA-N 453.609 1.876 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-n2cccn2)cc1 1286727082 MCQHQVIYUZAJII-IBGZPJMESA-N 457.560 1.467 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1286776322 SCLXFJDSCBTVTM-MJGOQNOKSA-N 474.587 1.286 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286793117 SGRJLBCTTCEBDW-UHFFFAOYSA-N 499.641 1.354 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC(=O)N2CCOCC2)cc1 1286797109 QXALNGLDIBMBSJ-LJQANCHMSA-N 454.531 1.137 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CC(N)=O)C1 1286820836 SRLBYHGNGOJFPP-LPHOPBHVSA-N 475.571 1.483 30 10 JDEE CC1CCN([C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)CC1 1286967527 FFXBEBFOHQSXGQ-GUDVDZBRSA-N 467.640 1.327 30 10 JDEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)N1CCOCC1 1288945047 HVAPULLWSOOELM-QAPCUYQASA-N 460.922 1.659 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2nccs2)CC1 1292890258 VTQGFZODPYLDQF-FGZHOGPDSA-N 465.623 1.642 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccccc1OCCOC)[C@H]1CCS(=O)(=O)C1 1300487247 IKGGGJYVLQVRPB-IBGZPJMESA-N 469.567 1.973 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300497657 BSCLLDPENTWMBB-WIYYLYMNSA-N 492.045 1.870 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2CC2CCN(C(=O)OC)CC2)n1 1300681699 ZAYRPJAFTRIRJT-FQEVSTJZSA-N 498.588 1.190 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCN2CCc3sccc3C2)CC1 1300682050 DTKIWZYKBDKMFT-LJQANCHMSA-N 458.632 1.877 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1300695877 NTBQGQKTGDDRIQ-UHFFFAOYSA-N 453.572 1.049 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)[C@H](C)CCC)CC1 1300710715 JGHAVPNJOPXFJT-GOSISDBHSA-N 471.606 1.032 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC(=O)N2)CC1 1300716802 RNPBUEJSKVLDCU-OAHLLOKOSA-N 474.363 1.280 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1300727323 WNGBCHOJPCBWAD-OAQYLSRUSA-N 485.610 1.363 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(COC)CC1 1300885874 SSXBSTUGHGMFTP-ZCNNSNEGSA-N 497.662 1.845 30 10 JDEE COC[C@@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@](F)(C#N)C1)OC 1301028725 AIOUVRXEJOEIJB-ZJSXRUAMSA-N 471.581 1.746 30 10 JDEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1301313218 ZNSMQKJVDIBAGH-UHFFFAOYSA-N 494.017 1.956 30 10 JDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1301434046 DDJWTUGUCYKTNM-UHFFFAOYSA-N 474.635 1.379 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1301458310 RDLABFPFEUFLHD-IBGZPJMESA-N 489.621 1.517 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(-n3cccn3)cc2)C1 1301538448 IDVIVHNEKHUEJA-PXNSSMCTSA-N 471.587 1.904 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNC(=O)OC(C)(C)C)C1 1301557481 PHQZVESGFOGOEL-SJORKVTESA-N 469.608 1.876 30 10 JDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1301606956 ZPUDEHVJXSNCQO-UHFFFAOYSA-N 453.576 1.418 30 10 JDEE CC[C@@H](C)[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1305332336 GDJQEPOGDBWRHY-KOSHJBKYSA-N 466.590 1.791 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccccc1F 1358948828 MMMDIVLQSHCTHG-GOSISDBHSA-N 467.592 1.753 30 10 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30 10 JDEE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)COC1 2282831671 CJIZUFWMXBATOR-UHFFFAOYSA-N 486.371 1.697 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C1CC1 2282840303 MMZLJIJWJRNJSU-HXUWFJFHSA-N 485.416 1.086 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@]12CCN(C(=O)OC(C)(C)C)C[C@H]1C2 2282853752 IJZVYBMCPMPCBS-SZNDQCEHSA-N 482.412 1.397 30 10 JDEE CO[C@H]1C[C@@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2283069560 RZPGACGZYFIQJC-GJZGRUSLSA-N 462.356 1.530 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H](O)C1 2285191487 GHOJAQSMLAQLDM-QGZVFWFLSA-N 461.368 1.743 30 10 JDEE Cn1nc(I)cc1[C@@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 2314310484 CWXHRNVVMIBSMO-DGCLKSJQSA-N 460.320 1.469 30 10 JDEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3N=Cc3ccc(O)cc3)CC2=O)cc1 2325880716 USEYFCMXTWCWGA-OAHLLOKOSA-N 466.523 1.972 30 10 JDEE Cc1cccc(OC[C@@H](O)Cn2c(NN=Cc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)c1 2327753938 ORNOUEKHFDBZEE-SFHVURJKSA-N 462.510 1.628 30 10 JDEE CC(=CC(=O)N[C@H](CO)C(=O)Nc1ccc(C#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 2331926206 SWGIIAWJAGKVRD-HXUWFJFHSA-N 456.524 1.328 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1COCCN(C(=O)OC(C)(C)C)C1 2337204829 QDAGINWLQDSCPU-AWEZNQCLSA-N 450.345 1.085 30 10 JDEE C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 31295107 GXESPCLKUXPNIX-FQEVSTJZSA-N 467.595 1.602 30 10 JDEE Cc1ccc(S(=O)(=O)/N=C(/CN2CCOCC2)N2CCN(S(=O)(=O)c3ccccc3)C2)cc1 59074416 QQSJVOIFCZQZDA-FCQUAONHSA-N 492.623 1.378 30 10 JDEE CCOC(=O)[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccccc2[N+](=O)[O-])[C@@H](C#N)C(=O)N3)C1 72445691 SOEKZXPVLVXNAN-XPKDYRNWSA-N 466.454 1.681 30 10 JDEE COc1cccc([C@@H]2/C(=C(/O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCN2CCOCC2)c1 102759673 VRSBRULCZJSSCN-SADKCHQCSA-N 454.527 1.799 30 10 JDEE N#CC1=c2oc(=O)c(=Cc3ccc([N+](=O)[O-])cc3)n2-c2oc(N)nc2[C@@H]1c1ccc([N+](=O)[O-])cc1 1084158667 ZIFNNYSDLIVEDF-QGZVFWFLSA-N 472.373 1.466 30 10 JDEE COc1ccccc1NC(=O)CSc1nnc(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N 1084509564 VZRCEQQKAULDNK-UHFFFAOYSA-N 487.458 1.994 30 10 JDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCCC(=O)NCc2ccc(F)cc2)n[nH]1 1084637612 ZZDLXWPABXNMQA-UHFFFAOYSA-N 460.539 1.994 30 10 JDEE C#CCN(CC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1)C(=O)OC(C)(C)C 1136567261 VAINSHZYNPPRFG-UHFFFAOYSA-N 450.561 1.114 30 10 JDEE C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1cc(F)ccc1N1CCN(C)CC1 1143321611 BOSUBYIWSSJOIJ-MRXNPFEDSA-N 459.547 1.605 30 10 JDEE COc1nc(N2CCN(S(=O)(=O)c3ccc(C#N)c(C)c3)CC2)ncc1Br 1210442054 GNJVODSKVAYSFT-UHFFFAOYSA-N 452.334 1.939 30 10 JDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1230269114 QAWUAJRBMRNRNN-WMZOPIPTSA-N 451.545 1.455 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNS(=O)(=O)CC 1286289401 LEGYYZPMNMPUNQ-INIZCTEOSA-N 471.587 1.633 30 10 JDEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)NCCOC)CC1 1286359211 XWGUVOYOZDRLCN-TZIWHRDSSA-N 460.623 1.495 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286387452 FJAMEBXVTWLVBX-NRFANRHFSA-N 485.610 1.383 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1286388597 RZEUATWCGIRDES-LJQANCHMSA-N 498.609 1.955 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1Cc1cccnc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1286388993 DNOWLQREQAZZNZ-LJQANCHMSA-N 459.572 1.641 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1COCCO1 1286428626 UOVODSRYDYVKDH-RBUKOAKNSA-N 459.547 1.465 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2CN(C)C(C)C)CC1 1286478762 CAUBCZNYVNQGIL-HSZRJFAPSA-N 484.670 1.824 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCOC)CC1 1286492956 LCNWQLZNCJUOJA-LJQANCHMSA-N 490.605 1.589 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1286494543 VGBQVMKXGMJMCV-PMACEKPBSA-N 482.560 1.231 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)C(C)(C)C 1286768318 YNYWZDWGAYWOCO-UHFFFAOYSA-N 467.574 1.993 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1286820724 PXERKLAIHGFGTR-RTBURBONSA-N 467.636 1.462 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1288274157 GDGDECDWEKVCEE-KRWDZBQOSA-N 489.650 1.571 30 10 JDEE CCn1cc([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCS(C)(=O)=O)CCO2)cn1 1295900970 IBEPRGHQRWBEAJ-IBGZPJMESA-N 455.544 1.656 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CCCCC2)CC1 1300712807 WPNMKRDHYPKVDH-UHFFFAOYSA-N 465.558 1.586 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1300883487 BLEPHHHVXRGRHR-WTGUMLROSA-N 468.620 1.793 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)NC(C)(C)C)CC1 1301086534 KWYWXLXGIYYFGR-MRXNPFEDSA-N 454.597 1.072 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1301500601 NVEGMADTSWPKPD-SFHVURJKSA-N 486.598 1.338 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)CN2CCCC2)C1 1301558584 WZZXPZXEOFRWHR-PMACEKPBSA-N 496.678 1.514 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1301585260 JPEJSVXRQQGHDE-HZPDHXFCSA-N 482.607 1.324 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](C(=O)OC)C1 1301585439 AULXXQAEVNNNBX-OAHLLOKOSA-N 453.590 1.624 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1301586794 JNIDLPPGQCFEIB-UHFFFAOYSA-N 471.580 1.091 30 10 JDEE CC(C)Oc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1303511005 FRDIJGKEPUXIRR-DYESRHJHSA-N 493.565 1.283 30 10 JDEE CO[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1315149270 DJDRPJAAASNXBR-SJORKVTESA-N 461.592 1.512 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1358922869 UXTAVTLYFHEPJI-XMMPIXPASA-N 486.642 1.910 30 10 JDEE C#CCCCn1c(N2CCN(S(=O)(=O)Cc3ccon3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1358936459 NYBAWLVFNQGXCN-JOCHJYFZSA-N 492.602 1.372 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1358967439 KMEPDUUFBQLRBR-HTAPYJJXSA-N 478.546 1.428 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1358992807 XMQJMFNMUUFXPJ-UHFFFAOYSA-N 472.553 1.221 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1359089433 IXOCRSFLUDKCCR-GGPKGHCWSA-N 473.622 1.187 30 10 JDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359132068 MCLCEMDQHBRDBQ-OAHLLOKOSA-N 451.549 1.612 30 10 JDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncc(F)cn2)CC1 1359198419 QGEXHWKPPQWFPD-HNNXBMFYSA-N 452.560 1.500 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1359305261 XTKDINFAKVTEKO-INIZCTEOSA-N 451.524 1.312 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1359315095 NXTOWDWWRVQWQZ-LJQANCHMSA-N 462.572 1.675 30 10 JDEE COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)N1CCN(c2cnccc2C#N)CC1 1475848057 ICKHBUOEDMKMBQ-UHFFFAOYSA-N 456.528 1.757 30 10 JDEE 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497.629 1.316 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCOC2)C1 1508162323 QFDRVCSISVHBNM-VQIMIIECSA-N 457.622 1.147 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCc1ccn(C)n1 1509682477 DZXSANCVQJGFKP-UHFFFAOYSA-N 465.537 1.730 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1539221932 SQHHXMMAMQYDLH-HOTGVXAUSA-N 497.668 1.069 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)cc1C 1539326228 SNTYBGNWBGZSIB-QFIPXVFZSA-N 484.626 1.497 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1539430071 GEUWGCQSFJUMKM-OALUTQOASA-N 490.605 1.594 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1539430074 GEUWGCQSFJUMKM-RBUKOAKNSA-N 490.605 1.594 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCSC2(C)C)CC1 1539481951 QDHWBSVANBXJJQ-ZWKOTPCHSA-N 479.672 1.678 30 10 JDEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1539599870 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1.766 30 10 JDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCN2CCOC2=O)CC1 1722442008 VROJVXHZCHQOAZ-UHFFFAOYSA-N 452.559 1.669 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(C)CN(C)C2=O)CC1 1722442920 IIZSNIBIOCEUER-VWLOTQADSA-N 480.569 1.406 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC[C@@H]2COCCO2)CC1 1722448366 AUEHHVBMEXRBQK-JOCHJYFZSA-N 451.571 1.949 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CN2CCOCC2)CC1 1722453248 QLVOOVCAKMXYIC-UHFFFAOYSA-N 469.615 1.840 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1722494738 SICDIVWNHVETPT-GGPKGHCWSA-N 484.605 1.795 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1722685404 GWPGGAPEIOJWIT-MRXNPFEDSA-N 470.596 1.291 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1722698294 YBIVRVOZXRFRRQ-UHFFFAOYSA-N 453.532 1.349 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCCCCC2)C1 1722718876 ODXKCPVNKIXNLX-OALUTQOASA-N 483.635 1.478 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(C(F)(F)F)CC1 1722724289 SKJKPKYANHGHGE-GFCCVEGCSA-N 471.527 1.188 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1722751154 PWWZTDXNEUJYBQ-OAQYLSRUSA-N 498.609 1.796 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOc2ncccc2F)CCO1 1722848371 IFINDOMYBXAEFB-HXUWFJFHSA-N 495.515 1.683 30 10 JDEE CC(C)COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CC1 1723478868 GFYBKEOIQMZGCA-DEOSSOPVSA-N 467.574 1.798 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1740580501 ACFRRSOYZWFVNG-SFHVURJKSA-N 473.603 1.062 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1740619086 MGLKURUTCAYMMT-QGZVFWFLSA-N 463.991 1.997 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740620010 SMQMOZUWNZJNNF-ZDUSSCGKSA-N 459.450 1.152 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740628941 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C=C(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCOC)CC1)c1ccccc1 1749244416 MXBANUXHCYDPGU-HXUWFJFHSA-N 452.559 1.922 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCC(OC)CC2)C1 1749713546 UPDGJGQIHCCVJA-NTFDOXNWSA-N 483.635 1.598 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(C(F)(F)F)n1 1751217820 HKDHTBINCSEZDY-BDJLRTHQSA-N 461.445 1.792 30 10 JDEE Cc1cccnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1751707893 IBZNUDQGURJTPN-UHFFFAOYSA-N 481.582 1.952 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1760129884 BNCXMRXOESNYBR-DOTOQJQBSA-N 477.587 1.763 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1760144887 DOCUIXNAJSGILS-QZTJIDSGSA-N 458.588 1.791 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760191411 GWAALWJMSKRFJI-HXUWFJFHSA-N 459.620 1.251 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1760210229 ORWNGYCZSDSGGN-RBUKOAKNSA-N 468.583 1.404 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(C(N)=O)CCOCC1 1760213114 PWQLUFOVGJBPJT-UHFFFAOYSA-N 451.527 1.707 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2sccc2C)CC1 1760266277 URDSVEULQXQNAO-INIZCTEOSA-N 478.644 1.467 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)N[C@H](C)CC)CC1 1760389651 QGFRMTZLDSAYGA-IAGOWNOFSA-N 454.597 1.072 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)CCC(C)C)CC1 1760389682 QUMCBQZNNNBFNM-GHTZIAJQSA-N 455.625 1.955 30 10 JDEE C=CCCOCCn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@@]1(OCC)CCOC1 1760452443 CRVYQGVUFJTZPT-JOCHJYFZSA-N 462.551 1.044 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(CC)CCS(C)(=O)=O 1760514990 ITKNJMGOZRMSQX-UHFFFAOYSA-N 456.572 1.975 30 10 JDEE CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(=O)NC(C)C)CC2)CCOC1 1769781926 DAFSIYAHQOLZBI-VWLOTQADSA-N 497.600 1.181 30 10 JDEE CS(=O)(=O)NCCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1770360354 CGUKVSRHPDDTGG-UHFFFAOYSA-N 470.534 1.227 30 10 JDEE C=C1[C@@H](O)[C@]23C[C@@]1(OC(C)=O)CC[C@H]2[C@@]12C=C[C@H](OC(C)=O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)OC 1848432687 NQHGDPLZFPAQPE-MPCWWMEFSA-N 460.479 1.228 30 10 JDEE NC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccc(O)c(O)c1 1874210409 SWHWUPNTXUCFOD-ACAPYZNFSA-N 466.523 1.665 30 10 JDEE O=C(C#CBr)Nc1c(I)ncnc1I 1884891606 LJQLSUOSVRSBJD-UHFFFAOYSA-N 477.825 1.980 30 10 JDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)CNC(=O)c3ccccc3F)CC2)CC1 1891114195 WXVHOUDOGMUXGL-UHFFFAOYSA-N 458.578 1.593 30 10 JDEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCCC4)C1 1891414500 MUHSCYCZTNYMRK-GJZGRUSLSA-N 452.540 1.891 30 10 JDEE CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](N)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2042456309 HHJTWTPUPVQKNA-VVKWOOSGSA-N 461.640 1.748 30 10 JDEE C#CCNC(=O)CNC(=O)c1cc(I)cc(I)c1O 2132063367 GXHPWPGVYGDKCW-UHFFFAOYSA-N 484.031 1.081 30 10 JDEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)C1 2256618061 NYIQJHAZNBOAOV-UHFFFAOYSA-N 452.382 1.893 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NC(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2266991897 MGRPDJAFUZXCNT-YPENRWOSSA-N 465.381 1.997 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1C(F)F 2267089555 FVEULYAIURWHIJ-OLZOCXBDSA-N 456.299 1.939 30 10 JDEE Cc1nn(C)c(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1B1OC(C)(C)C(C)(C)O1 2281977216 MEPJMBGSWFQPOV-OAHLLOKOSA-N 464.372 1.393 30 10 JDEE CC(C)(C)OC(=O)N1CCO[C@H]2CCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2281984128 APOJHPOSLDUGNW-HOTGVXAUSA-N 462.356 1.559 30 10 JDEE C[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2282330332 YDRCHADFRANCCK-CABCVRRESA-N 484.428 1.643 30 10 JDEE C[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C1(O)CN(C(=O)OC(C)(C)C)C1 2282345819 JSKUEWNGDSCYCS-HNNXBMFYSA-N 482.408 1.634 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2282491898 MOCULKNQSSEHGX-ZWKOTPCHSA-N 482.408 1.697 30 10 JDEE 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CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)C[C@H]2[C@@H]1CO 2362568352 RBHNWVKQLBSJDM-IMJJTQAJSA-N 479.408 1.742 30 10 JDEE C=C[C@H](O)C#CC#CC[C@@H]1O[C@@H]1CCCCC[C@@H](O)[C@H](O)CNC(=O)/C=C/c1ccc(O)c(O)c1 257371704 XTBIGWUJSMQMKL-DNZGBCJZSA-N 483.561 1.611 30 10 JDEE biogenic C=CCNC(=O)c1ccccc1NCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC)c1=O 515025679 ALONNYZDHNMSLH-UHFFFAOYSA-N 461.522 1.871 30 10 JDEE CCOC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#CC(=O)O 757472695 ZPKOGILLGQCPIR-OAQYLSRUSA-N 450.447 1.661 30 10 JDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)N(C)C2(C#N)CCCCC2)[C@@H](C)O)cc1C 777310976 VQYKWWBJZJMQPW-YLJYHZDGSA-N 465.572 1.559 30 10 JDEE CCc1nnc(CN(CC)C(=O)CSc2n[nH]c(NN=Cc3cnn(CCOC)c3)n2)o1 1084099590 AAPXHCSMSZDFFZ-UHFFFAOYSA-N 462.540 1.180 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(OC)c(I)c2)CC1 1136632987 VXOGPLYWTKUNOC-UHFFFAOYSA-N 455.296 1.197 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(N3CCCS3(=O)=O)CC2)cc1 1214687641 SKZMKFYRQOCACD-UHFFFAOYSA-N 456.590 1.525 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1SC 1286296794 ROFAOBXVGFMHMA-RHSMWYFYSA-N 467.592 1.978 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CC[C@H](CO)O2)c1 1286310597 ZVJOXNDCCUZHHP-BPYKYCOYSA-N 483.569 1.526 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1286385686 YXAWQEURHLASQZ-FQEVSTJZSA-N 466.567 1.502 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286389948 TYYDLYRUBGYGSW-FQEVSTJZSA-N 465.583 1.888 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCC[C@H](C)C1 1286467858 VHVYSZCXOKRGRS-VQTJNVASSA-N 496.678 1.208 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCS(=O)(=O)CC)CC1 1286480249 TUQHOGOKSIKRMW-UHFFFAOYSA-N 497.625 1.426 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@](C)(O)CCOC)CC1 1286480601 NUMGQJIHUUMSOW-YADARESESA-N 492.621 1.129 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2CCNS(C)(=O)=O)CC1 1286489543 WVGHNCSQHCZHIS-UHFFFAOYSA-N 481.582 1.008 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1286490880 VXMAVAHCFNFKCL-HXUWFJFHSA-N 492.628 1.915 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1286508671 KGSCKIYQSNUMOF-IBGZPJMESA-N 474.612 1.485 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)NC)CC1 1286563026 IGRFPMPEKDFLTC-LPHOPBHVSA-N 473.603 1.712 30 10 JDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286592970 FKXMHWWTEYOCTJ-SXLOBPIMSA-N 464.636 1.135 30 10 JDEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286633552 XXFJMFUCRJEOHI-UHFFFAOYSA-N 451.984 1.961 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCS(=O)(=O)C1 1286749011 ICSQMIPLCXFGOF-HZPDHXFCSA-N 470.642 1.869 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)OC(C)(C)C1 1286779612 JPGGXHHLEXDPMU-HNNXBMFYSA-N 475.619 1.853 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1286813876 DZHUFPLYLIAGMS-ZWKOTPCHSA-N 489.554 1.862 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2csc(C)n2)CC1 1296297258 HBPWHUXHQCTHBD-UHFFFAOYSA-N 494.625 1.995 30 10 JDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@H](C)CN2CCN(CC)CC2)CCOC1 1296583856 HBVGLIRHSYQQKW-RDPSFJRHSA-N 459.639 1.944 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCN(C)C2)c1 1300331534 MKEDYYUPMZJTFX-VWLOTQADSA-N 488.552 1.048 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1300478832 CQILEKWGNMIIFJ-QGZVFWFLSA-N 492.001 1.873 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1300497345 YISSWFNHCHIPQS-GPMSIDNRSA-N 472.658 1.093 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1300504846 UNULRRHTBOVCQP-IBGZPJMESA-N 472.546 1.713 30 10 JDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)N1CCSCC1 1300602449 FDGPLTWNILMGTQ-HXUWFJFHSA-N 471.649 1.157 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCN2CCCS2(=O)=O)CC1 1300681799 BCOWQRXHMTZMRG-GOSISDBHSA-N 493.033 1.862 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cscc2C(F)(F)F)CC1 1300683169 MFUSGQKWRXWATJ-CYBMUJFWSA-N 476.550 1.772 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)Sc2ccccc2)CC1 1300684065 WTSFADVZTTYXDE-QZTJIDSGSA-N 462.645 1.824 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CC(=O)N2CCOCC2)CC1 1300688108 AQOZWJGEQUSFPT-UHFFFAOYSA-N 479.404 1.383 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2cccc(C)n2)CC1 1300712345 PNZMSINDIHHNGY-GOSISDBHSA-N 487.630 1.190 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OC 1300806457 VUVNDYPDEXBIOH-LAUBAEHRSA-N 460.560 1.055 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1300872046 DSZAOCJBJVWSFI-XCLNPWKQSA-N 492.650 1.919 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCC2=O)CC1 1300877541 YKODBLOEASHXMT-UWVAXJGDSA-N 480.635 1.461 30 10 JDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1300925855 HJHNJOKQKXKSME-PMACEKPBSA-N 457.623 1.907 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccn2)CC1 1301151743 QENPZQKNKGCCOI-IBGZPJMESA-N 489.646 1.935 30 10 JDEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301220901 GGMOSBQCPZOASS-SFHVURJKSA-N 487.605 1.506 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1301534475 BJFVSBOEPXYQGD-SJORKVTESA-N 495.506 1.970 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C(N)=O)C1 1301592626 AWSXTIWMOGPHMP-AWEZNQCLSA-N 498.403 1.532 30 10 JDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1)S(C)(=O)=O 1301986238 DCRSVOXOOKHDCR-RYRKJORJSA-N 494.643 1.356 30 10 JDEE CC(C)C(=O)NCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1302458579 FIXKTYVTYKFMQF-UHFFFAOYSA-N 456.547 1.479 30 10 JDEE C[C@H]1OCC[C@@]1(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1 1305242483 AYCBMUBHGHSYTQ-OPAMFIHVSA-N 474.587 1.475 30 10 JDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1313585210 COVUZNSSPQDPKA-RXVVDRJESA-N 472.615 1.798 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1358959985 UFGFROZEENEPHM-WMZOPIPTSA-N 476.555 1.004 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1358962036 JCKCCDJSKWMXBT-AEFFLSMTSA-N 461.975 1.752 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1Cc1ccccc1 1359010125 HFBQXQLWWOAIKJ-FCHUYYIVSA-N 486.642 1.735 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1c(F)cccc1F)N(C)C 1359010220 KHKDEDXUTCHKJK-RTBURBONSA-N 496.584 1.652 30 10 JDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCN(CC(F)(F)F)C1 1359023595 PDLVDLFBLWOWAW-HNNXBMFYSA-N 468.480 1.976 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCN(C)C(C)(C)C2)CC1 1359028078 GSEMSXDYCLZKNT-UHFFFAOYSA-N 492.672 1.928 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1359052639 LMURLZZIVUJREF-UHFFFAOYSA-N 466.567 1.985 30 10 JDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)COC)CC1 1359075819 HJOOOVPAORTRFK-UHFFFAOYSA-N 455.357 1.154 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CC1 1359281830 KGIAQJGOXAJMGH-KRWDZBQOSA-N 499.634 1.803 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1359303416 NFSYROQCTWJYFB-KOSHJBKYSA-N 455.559 1.758 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1359303905 FIXFKIPXLKIPNH-UHFFFAOYSA-N 460.546 1.035 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CCN(C(C)=O)CC2)C1 1359317802 QMJXKDZYFNWCFG-NRFANRHFSA-N 484.601 1.908 30 10 JDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1464328587 GQRBTMUTXFQVNR-MRXNPFEDSA-N 450.536 1.056 30 10 JDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1503748018 HVCMXCJVZFCWSB-RTBURBONSA-N 471.587 1.203 30 10 JDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1504883991 HCBQLOOHPWILLJ-RTBURBONSA-N 461.611 1.768 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCC1(COC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1507630598 CXWWCUOPSMYGDM-GOSISDBHSA-N 458.588 1.959 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1507638527 RTHVZOICIFACMW-ZVDOUQERSA-N 474.583 1.686 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1507666733 FWSWZVRHQXOZCA-NRFANRHFSA-N 460.586 1.277 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507824706 GGSLRFVPSQMVCE-GOSISDBHSA-N 472.571 1.691 30 10 JDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC)CC1)c1ccccc1 1507853279 CDPVUPVWAYTNHT-KRWDZBQOSA-N 462.576 1.880 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)(F)F)CC1 1507917238 ZLKFBXNWJPTAAJ-MRXNPFEDSA-N 494.584 1.898 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1507944225 PWKMEAIDIGVHHL-LJQANCHMSA-N 481.667 1.379 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1508074321 RVXZVWLCJFPKJO-UHFFFAOYSA-N 462.576 1.116 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1508097688 JWCAFZKSUXWNKE-IRXDYDNUSA-N 491.593 1.929 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1508105899 QMKYUHCXIZJDKY-UHOSZYNNSA-N 488.614 1.749 30 10 JDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1508107804 GOIOSGQFDGFOEK-GOSISDBHSA-N 459.572 1.637 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1508140767 JUNMRWKSQHLRHA-QZTJIDSGSA-N 467.636 1.762 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1508163690 XBIOVWIWVJYUIQ-FUHWJXTLSA-N 498.675 1.025 30 10 JDEE CCN1CCN([C@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@](F)(C#N)C2)CC1 1515891881 HLXAPFHIVGXIEY-JPYJTQIMSA-N 489.621 1.817 30 10 JDEE CCS(=O)(=O)NCCn1c(C(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1516839016 GVVZUAKZSDDTJU-UHFFFAOYSA-N 459.620 1.925 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2cnn(CC)c2)c1 1539046566 WQYGMYXARZJXPE-UHFFFAOYSA-N 460.542 1.721 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539200565 KUWGHIWKZYWSFV-LSDHHAIUSA-N 477.509 1.108 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1 1539203232 OJRSHAXGOLMASP-MRBHHPDMSA-N 491.658 1.764 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1539230352 MFQBHFXDUMMUHL-LJQANCHMSA-N 494.639 1.535 30 10 JDEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1539231815 XBMFQJUYDYDFKN-IAGOWNOFSA-N 489.623 1.484 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1Cl 1539325395 IAAAONHMNMWWBM-FQEVSTJZSA-N 492.001 1.806 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1cc(C)oc1C 1539326110 RXLSAJQQTPPCME-OFNKIYASSA-N 489.598 1.191 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(SC)CC2)CC1 1539482543 UTIMZJWGOGURHT-INIZCTEOSA-N 451.618 1.042 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(C(=O)NC)c1 1539538333 GAPMZSAJDZDDRU-OPAMFIHVSA-N 458.588 1.483 30 10 JDEE C=CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC=C)C1CC1 1540103713 FHXIAYRAKGUOGM-UHFFFAOYSA-N 454.556 1.948 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccc(F)cc1)C1CC1 1540108973 NBCGYRWDNJPDCU-KNQAVFIVSA-N 479.578 1.813 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1540867228 OXNLBSDOMKSZJR-INIZCTEOSA-N 461.544 1.032 30 10 JDEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CCOC1 1547863881 BRPXZINAGQNCIA-DENIHFKCSA-N 459.572 1.873 30 10 JDEE CN(C)[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CCSC1 1552807640 FDVAXTBPRHJSPL-QFIPXVFZSA-N 455.588 1.492 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 1565589302 CVQZDZSMVLHPND-UHFFFAOYSA-N 458.518 1.380 30 10 JDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc2c(s1)C[C@@H](C)CC2 1588574565 MCDVJDLQGQVMKT-GJZGRUSLSA-N 466.633 1.604 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCc2cnn(C)n2)CC1 1588899042 LBWYPHVUWZEFLD-UHFFFAOYSA-N 477.529 1.580 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)c1cc[nH]n1 1589171773 SCLKYJZGYUJRRU-HSZRJFAPSA-N 496.597 1.341 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1595501209 NMJMMBLTSMRQGT-OAQYLSRUSA-N 465.602 1.553 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](C(N)=O)C1 1595776769 FHSSURKGWAVOOB-CQSZACIVSA-N 498.403 1.629 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1595785377 YPNIZZVEZSZIBV-UHFFFAOYSA-N 487.674 1.936 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1Cc2ccccc2O[C@@H](C)C1 1595824153 XHHWNLVSPZOGDF-KRWDZBQOSA-N 459.572 1.789 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)COC2 1611307638 FCAVHNAJTMOBEC-BEFAXECRSA-N 460.560 1.428 30 10 JDEE Cc1nccn1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1612451646 BOGLPEIALKVWKZ-HXUWFJFHSA-N 469.571 1.947 30 10 JDEE CC[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1613700811 CWLNVRDFAMPCFU-VXKWHMMOSA-N 459.572 1.905 30 10 JDEE CCOC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1616026830 GAKHJJPBVZVRPL-ICSRJNTNSA-N 470.530 1.859 30 10 JDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(C)C[C@H](O)CN2CCOCC2)cc1 1652668643 CXSYBJDYWLYBCV-FQEVSTJZSA-N 455.559 1.538 30 10 JDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1668498278 DSBXPRBBSWTAQE-CABCVRRESA-N 459.569 1.133 30 10 JDEE C#CCOc1ccc(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc1 1668560311 SKURVDNIFXNEHO-HXUWFJFHSA-N 450.543 1.793 30 10 JDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1)C1CCOCC1 1682886854 AOZZIRJCVRZVJS-FQEVSTJZSA-N 456.568 1.988 30 10 JDEE COCCc1ccc(OC[C@@H](O)CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1 1683843193 IEJDPKFBMXUONZ-NRFANRHFSA-N 453.543 1.850 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1689977811 DEQTZYZSKYUVIK-RBUKOAKNSA-N 477.562 1.570 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1689984957 ZBQBFNQZCXLSHX-WQIZZMQYSA-N 455.993 1.389 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(OCCOC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1689986863 YOVFCFUGRARGGP-SFHVURJKSA-N 477.587 1.112 30 10 JDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1690164065 ZUVOIJCYWHXJHI-SFHVURJKSA-N 479.614 1.980 30 10 JDEE C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1690644332 FBKBZRLEAHVBNX-XLIONFOSSA-N 477.587 1.853 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690665358 AQPGTMHOXBBZQT-WBVHZDCISA-N 454.531 1.227 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1690686821 UPXARLXZDDIDDO-RDJZCZTQSA-N 483.616 1.121 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCc2n[nH]c(C)n2)C1 1690687974 LVTPICUYQNLJJP-SFHVURJKSA-N 486.602 1.646 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N(CC)CC)CC1 1705509336 DXLIIZVMMVXGHU-KRWDZBQOSA-N 453.613 1.276 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1705525099 YQOMNBOVQAFJRH-CVEARBPZSA-N 470.596 1.032 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1705558734 GTGPYPPSGSPWLS-ROUUACIJSA-N 464.636 1.163 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1705564865 RHICBWLMZLGQRL-FQEVSTJZSA-N 469.567 1.375 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1705566953 SELBLRIXQBLDOB-LEWJYISDSA-N 468.583 1.563 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1705596890 PQGZZJBLPOMFLQ-HNNXBMFYSA-N 450.490 1.852 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C(C)C)n1 1705597440 FVFITKHHTDYEEL-IBGZPJMESA-N 490.655 1.897 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=C)c2ccccc2)CC1 1705645093 KVAQFEOYFWKETG-SFHVURJKSA-N 470.599 1.568 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCCN2CCN(CC)CC2)CC1 1705649144 LWTXHDYJSCBSPU-UHFFFAOYSA-N 478.645 1.724 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[C@H]1CCCCO1 1705674770 QNVKLKIUPITMPH-WOIUINJBSA-N 465.620 1.952 30 10 JDEE C=C(C)COCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705730517 KRGUXCRLVYZGKM-INIZCTEOSA-N 476.484 1.286 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1705899367 QFIMBAJGMGLQKF-FXAWDEMLSA-N 465.558 1.486 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1705900025 NMQCDWIAJDWNLT-WOJBJXKFSA-N 452.607 1.637 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2CC1 1705929906 AIJAWZDNHQJWHF-MRXNPFEDSA-N 467.617 1.094 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCNC(=O)[C@H]1CC 1705936422 QNORNCRCGCSKIO-CRAIPNDOSA-N 461.544 1.106 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1705937643 ZUDOTRRYAFSASF-HXUWFJFHSA-N 460.604 1.023 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCCCC1 1722296627 STCNNRKXAXQQHB-ZWKOTPCHSA-N 452.625 1.333 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCOc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1722359926 XNSUZSBNHBIVJX-SFHVURJKSA-N 477.562 1.651 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCNS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1722361208 FQQXVLIWOWGSFP-OAHLLOKOSA-N 486.019 1.165 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1722365197 LTYHSAXZQMNCGE-YLJYHZDGSA-N 475.590 1.940 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722367782 XSWSDAXTLHJUMQ-MRXNPFEDSA-N 457.478 1.817 30 10 JDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)NCC)CC1 1722462474 MZVZQMDYNHFBGT-UHFFFAOYSA-N 452.588 1.735 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)N(C)C)c1)C1CC1 1722651131 QCVLGLXIKFHZLA-FQEVSTJZSA-N 488.614 1.516 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](CNC(C)=O)C1 1722694658 DBBQNJCOSWOAHZ-KRWDZBQOSA-N 454.531 1.371 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](COC)C1 1722695250 XVJWHURHCGHREC-OAHLLOKOSA-N 480.363 1.870 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722703957 MHZGZWCLUVAVOP-DEOSSOPVSA-N 480.573 1.214 30 10 JDEE CO[C@]1(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@H](C#N)C2)CCOC1 1729947400 AQBRDMBLGYHZHK-IXFSTUDKSA-N 476.578 1.927 30 10 JDEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC 1729969763 GNOWHWPVYPYFSO-SPLOXXLWSA-N 479.534 1.848 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1740576163 YLABVJVOSHWQPP-ROUUACIJSA-N 477.591 1.490 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCN1CCOCC1 1740592034 SJOWTZHGSSDESI-IBGZPJMESA-N 462.595 1.768 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1740622408 COQAIMRHPCCMGH-WMZOPIPTSA-N 475.546 1.246 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740625826 QMQNUKQEDZUTLW-HXUWFJFHSA-N 475.590 1.357 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2sc(C)nc2C)CC1 1740706120 RHZYQJRNAOHBHO-QGZVFWFLSA-N 476.628 1.268 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C(=O)OC)CC1 1740960479 SKWGZEQMEMHKAF-UHFFFAOYSA-N 491.593 1.583 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nc(CC)ns2)CC1 1740990014 GBWGLQWZGFIJBH-UHFFFAOYSA-N 462.605 1.615 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccnc1OCC(F)(F)F 1741924634 BTSZIDSYQMZODS-SJKOYZFVSA-N 491.471 1.715 30 10 JDEE CCCN(C)C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C1 1745586388 BZHSWOPCDNUNMU-BWKNWUBXSA-N 467.618 1.963 30 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C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCNS(C)(=O)=O)CC1 1300716318 KUHHEUNYUIRGGG-MRXNPFEDSA-N 492.577 1.072 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CC[C@H](OC)C(F)(F)F)CC1 1300722811 LQGITIGZXMDSNK-KRWDZBQOSA-N 496.490 1.939 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1301041364 KSJKZPQDFXONFN-ZWKOTPCHSA-N 455.003 1.935 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1301151408 MTZUIHMFUYIWLK-SFHVURJKSA-N 480.635 1.357 30 10 JDEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)N1CCOCC1 1301289346 BJBAFUUBFISSOH-UHFFFAOYSA-N 465.558 1.936 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCNC(=O)CC1 1301493108 URIXYMJRHMFPIF-UHFFFAOYSA-N 451.300 1.475 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1301587717 XRSOHLDRIOYAJD-KRWDZBQOSA-N 471.587 1.174 30 10 JDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1301606606 UNDNWHFEMUSOBH-SFHVURJKSA-N 456.620 1.787 30 10 JDEE COc1cccc(Cl)c1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1315586779 BVHGNQLVDRXEPS-KGLIPLIRSA-N 451.936 1.619 30 10 JDEE CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 1355277506 DXOOOXPPXSJMJO-FQEVSTJZSA-N 455.536 1.903 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCCN2CCOCC2)c1 1358903548 AXEAPGMVBRUSAE-OAQYLSRUSA-N 452.559 1.908 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358962174 LXKQLUFZHRDDAP-PCCBWWKXSA-N 486.642 1.775 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@H](c1cccs1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358967920 VNHINBNZWVMHIM-RTBURBONSA-N 493.655 1.576 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC(F)(F)CO2)CC1 1359047251 XTVYECVJXOSVMN-MRXNPFEDSA-N 492.552 1.660 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1359064488 UHXQMKNHQZNTTP-IUKKYPGJSA-N 470.599 1.934 30 10 JDEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1359214270 XGMCWHXCEAVELK-UHFFFAOYSA-N 453.547 1.122 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCc2ccccc2C1 1359271708 BMZOHVGDOKYNLC-QFIPXVFZSA-N 486.642 1.848 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1359287743 SRXDBKPCJFNKKM-LJQANCHMSA-N 480.635 1.462 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](OCC)C1 1359299131 WCXDKCYYEIZBHM-MRXNPFEDSA-N 461.592 1.546 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1359327041 QHKCSAITAQKHEN-OAQYLSRUSA-N 453.609 1.756 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccccc2)C1 1359334781 QTNYSXFVEFXYRE-IBGZPJMESA-N 459.572 1.579 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1507627621 SUEATOMLKGABIP-WMZHIEFXSA-N 488.614 1.287 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 1507631446 DNHYTRFJQXFYMA-YOEHRIQHSA-N 484.550 1.133 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1507641075 YVRBDQZNTCISBM-FQEVSTJZSA-N 453.572 1.518 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCCC2=O)c1 1507651713 BHAYTNPBEFLDFJ-IBGZPJMESA-N 451.552 1.428 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@](C)=O)CCC1 1507653274 MFSURKILARYDKO-GDTDKIKOSA-N 475.615 1.961 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCOC1=O 1507670693 AITIVHFQRFGRHR-IBGZPJMESA-N 486.573 1.892 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1507690204 QTLXMCYYDRFVFH-RTWAWAEBSA-N 457.600 1.541 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCOC[C@H]2OC)CC1 1507717991 KFEVKEPYUQLCEB-VQIMIIECSA-N 477.407 1.853 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCO[C@H]2C)CC1 1507732420 GZSDLKITHBSBGR-YBJWPOLQSA-N 474.606 1.344 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1507868286 HJNJETHVHDWATQ-GJZGRUSLSA-N 491.014 1.467 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC#N)CC1 1508141365 VKUGVMWLURWRKA-UHFFFAOYSA-N 481.582 1.923 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1508416119 DOEMUILSCMYSOE-CVEARBPZSA-N 469.571 1.755 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C[S@@](C)=O)cc1 1508423605 IEGJODIECIMWIY-MXBQLADBSA-N 494.643 1.134 30 10 JDEE CNS(=O)(=O)c1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@](F)(C#N)C2)c1 1517620011 DYIWIMPWJZEXBD-OAQYLSRUSA-N 472.550 1.538 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539201275 ZTEYHFOLGPKMGN-GOSISDBHSA-N 459.572 1.408 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1ccc(NC(C)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1539211271 KJYWWNBDLOQPGD-LJQANCHMSA-N 494.577 1.982 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1539557349 REJIADNFWCMJGP-PMAPCBKXSA-N 473.574 1.656 30 10 JDEE C=C(Cl)Cn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539819779 IUYFIYSSMSHQNZ-GCJKJVERSA-N 467.014 1.814 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)(F)F)C1 1540037509 MTZCGXNEBZLKPC-JKSUJKDBSA-N 481.541 1.982 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1540873587 CYTWVLLEJZYRPY-IRXDYDNUSA-N 475.594 1.442 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCN(CC)CC2)C1 1540891942 CHJOYWJULAESOT-NJDAHSKKSA-N 480.679 1.235 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1540894647 BYJWSYMBTTYSRK-OAQYLSRUSA-N 490.626 1.793 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C2CCOCC2)C1 1540917145 OOQBJVAMQFAILU-RTBURBONSA-N 485.676 1.783 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(N2CCOC2=O)cc1 1541920931 HOUVQHCUQILRSE-HNNXBMFYSA-N 473.559 1.633 30 10 JDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CCS(=O)(=O)C1 1545545942 HMQPXBKMFASNNG-BBWFWOEESA-N 458.592 1.603 30 10 JDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1547239129 BBEJSHQAOCYORP-SFHVURJKSA-N 473.603 1.499 30 10 JDEE CCN1CCN(CCCn2c(-c3nn(C)c(=O)c4ccccc34)nnc2N(C)[C@@H](C)CC#N)CC1 1547734453 FQDMJAJQFJYGFL-IBGZPJMESA-N 477.617 1.958 30 10 JDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCN1CCCS1(=O)=O 1548172838 FUFCKIYJQIJHOI-UHFFFAOYSA-N 459.576 1.048 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)c1 1565698946 VWGMPLGNKKRPGC-CTNGQTDRSA-N 459.612 1.936 30 10 JDEE C=CCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1587111071 DAGJIWBUHXZZOZ-UHFFFAOYSA-N 450.380 1.426 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCCNC(=O)C2CCC2)c1 1587683418 JMWLCIRJAZPINF-UHFFFAOYSA-N 491.596 1.877 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1CCCN1CCCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588030505 WOZVBOPZLVMXNF-HSALFYBXSA-N 451.637 1.919 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588045023 FQEZLPOMFWLABB-GOSISDBHSA-N 474.583 1.512 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1588054322 NKADMFARXJMOPA-WOJBJXKFSA-N 471.583 1.140 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1588068992 DOZQAXSPWHTUMJ-MRXNPFEDSA-N 478.529 1.406 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccccn2)CC1 1588891547 QRJOKTIUROOXJD-XMMPIXPASA-N 452.559 1.534 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1589481822 CPJDESSTKZSPGR-IRLDBZIGSA-N 489.665 1.778 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NCC)CC1 1589570408 UVDUEFCMYMFYTK-NZQKXSOJSA-N 470.622 1.379 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1595522775 JZWZNJCVGSPIBQ-UHFFFAOYSA-N 490.612 1.963 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1595556478 UWEVHHPSDPMFFH-UHFFFAOYSA-N 455.460 1.589 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCC(=O)NC)C1 1595715311 VFRFIEDZAPWBOL-QGZVFWFLSA-N 465.558 1.982 30 10 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30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC)cc2F)CC1 1690144386 XIBJJULIXJTVTN-LJQANCHMSA-N 454.506 1.391 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OCC)c(OC)c2)CC1 1690150783 VKQGTXMIRACMTP-UHFFFAOYSA-N 494.596 1.822 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1690154014 HEBBQZWAYWUOIH-UHFFFAOYSA-N 458.588 1.955 30 10 JDEE C=CCN(CC=C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1690593095 SHXBBVJWNZVLPB-DEOSSOPVSA-N 498.609 1.793 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1690659503 VGMPFZLFHRWGLQ-XMMPIXPASA-N 461.526 1.980 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2)CC1 1690670718 HUJGHAVRCAMMBV-GOSISDBHSA-N 458.588 1.199 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1690672748 BSXMTIXRJUZIDN-FQEVSTJZSA-N 497.619 1.833 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1690676280 VIZVAZVNSCIXMF-TZIWHRDSSA-N 454.575 1.625 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)Nc2ccc(F)cc2)C1 1690699682 HZLSYRUJTSLZPQ-CRAIPNDOSA-N 463.535 1.739 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1690723527 UYLQVUMUUKWWNS-KNQAVFIVSA-N 492.690 1.915 30 10 JDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(CS(C)(=O)=O)CC1 1692742305 HXEBDSNLCZWSPN-HNNXBMFYSA-N 465.601 1.511 30 10 JDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@H]2OC)CC1 1694222707 BJYJGFSHULAMFN-WWPVKYPJSA-N 495.628 1.905 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705562752 JFMRPPXLTVOOHQ-NZQKXSOJSA-N 496.637 1.944 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1705564388 AZGYLGKHISOIKD-IEBWSBKVSA-N 457.556 1.107 30 10 JDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1705564639 BXYHAGWRDGIIIA-NRFANRHFSA-N 495.609 1.672 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1705569208 DQZVSAMUKNYONG-GCJKJVERSA-N 455.540 1.391 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1705604926 WUHXDXXXSQFMMK-VQIMIIECSA-N 474.587 1.514 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C1OCCO1 1705612471 HGMTXNODHBVROU-IBGZPJMESA-N 475.571 1.164 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCN(CCC(C)C)CC2)CC1 1705639146 HLLRYAVXVOGMFM-QFIPXVFZSA-N 476.691 1.694 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCNC(=O)c2cccc(O)c2)CC1 1705648305 QLUOEBWDNHCZPX-NRFANRHFSA-N 494.596 1.664 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1705811657 HTYLEELCTXQWPU-INIZCTEOSA-N 462.576 1.523 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1705935500 TTXHYKRQCBEEJU-SJLPKXTDSA-N 452.552 1.849 30 10 JDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1710856830 FWKNVBIVXIKZAO-WBVHZDCISA-N 465.601 1.511 30 10 JDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)C1 1712688849 FCLPSGGYGHNRIN-SFTDATJTSA-N 472.615 1.677 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c(c1)OCCO2 1722294497 HEMMWROOAGMGMN-OXQOHEQNSA-N 475.571 1.083 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(Cl)cc1OC)[C@H]1CCS(=O)(=O)C1 1722368805 SWYARAXPWDHFIQ-IRXDYDNUSA-N 477.974 1.566 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2ncccc2c1 1722382683 BUMAIYMCIPDAGT-OAQYLSRUSA-N 464.551 1.280 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCc2cccnc21 1722384032 MHIZRHXOUNUOJF-VQTJNVASSA-N 468.583 1.199 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1722448902 CFYCCOVEAWDREK-SANMLTNESA-N 478.597 1.516 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCNS(=O)(=O)CC)CC1 1722448973 JQHMXPXODVPZQK-UHFFFAOYSA-N 472.615 1.082 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCCC2)CCOCC1 1722500915 LEKSGAXIJANLAC-SFHVURJKSA-N 454.641 1.936 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1722532742 VHCBJNJMRQRXSL-FQEVSTJZSA-N 488.614 1.723 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCN(C)C1 1722664397 YQSZEIMUIRFXLD-OXQOHEQNSA-N 451.618 1.501 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1722727672 KIARBSWRPQTZLX-MSOLQXFVSA-N 453.609 1.072 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C2CCCC2)CC1 1722728937 UAXLEZPLLWLFIT-GOSISDBHSA-N 485.676 1.236 30 10 JDEE Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(c3ccc(C#N)cn3)CC2)c(F)c1 1724351758 BERBTJFUGWTBRN-KRWDZBQOSA-N 498.588 1.977 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1CCOc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1740617908 YUXWYVDGYGEURQ-MSOLQXFVSA-N 494.639 1.901 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)CC1CC1)[C@@H]1CCS(=O)(=O)C1 1740618253 FXFLYVNJTDEJGL-HXUWFJFHSA-N 487.607 1.268 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740623601 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C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1740889001 XRDKTUFXBFQWPQ-MSOLQXFVSA-N 454.593 1.547 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1740952168 WLBFZEOJJXXEKC-FQEVSTJZSA-N 478.557 1.551 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740969465 PDTICHYBSVEJKE-FXAWDEMLSA-N 473.599 1.850 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1740991754 CVSHKLJHRVJHIN-VQTJNVASSA-N 467.636 1.322 30 10 JDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1740997551 WSAMLFWSRQHEQG-FUHWJXTLSA-N 461.613 1.983 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCCN(C)C)cc1 1748670962 FNVSWUWPIOQNRF-WIYYLYMNSA-N 490.630 1.058 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccn2)CCC1 1748673057 YPQBJSWAVNWKHB-ROUUACIJSA-N 458.588 1.586 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1748731692 JGKOJHXQNPRHFV-OAHLLOKOSA-N 451.984 1.677 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOC[C@@H]1C 1748890112 JOKWJEGDYFBEOY-NRFANRHFSA-N 462.602 1.636 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1748891771 FUHLEEFLVPGPCN-IFMALSPDSA-N 495.605 1.809 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CCOCC1 1748928915 AZJLQDXYIIKHGZ-NRFANRHFSA-N 487.626 1.819 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)C1 1749104252 NZAYSKFQARKVJY-RUXDESIVSA-N 466.377 1.704 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1749136588 PKKSFMWKJJMYAG-AVRDEDQJSA-N 494.662 1.680 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1749590885 IHANBTHIMXXEEK-GOSISDBHSA-N 482.628 1.833 30 10 JDEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749613893 LALVQKNAMCYMDM-UHFFFAOYSA-N 465.377 1.882 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1749658939 ZCOGKSRYCVPTEA-PBHICJAKSA-N 458.950 1.872 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1749667229 UXTUOWRHZHHPFQ-UHFFFAOYSA-N 494.644 1.721 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1749830170 FQRORBLDILMXJX-CADBVGFASA-N 466.608 1.414 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1749830176 FQRORBLDILMXJX-VJANTYMQSA-N 466.608 1.414 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCCCO2 1760117394 OHQURFRVAPBWDB-UZLBHIALSA-N 475.571 1.279 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1760126110 YHGXMHKDJHLLOD-YWZLYKJASA-N 450.586 1.587 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC(C)C)CC1 1760137412 JPFMTDGVABQSOP-IBGZPJMESA-N 453.609 1.808 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1760190062 NXHMHTQECYLCHP-SFHVURJKSA-N 461.563 1.551 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1760219510 GOYQKGURWLVRHV-ZWKOTPCHSA-N 487.548 1.296 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C)c1 1760279911 BICUHMXRXLTBML-LJQANCHMSA-N 463.629 1.922 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C[S@](C)=O)cc1 1760464210 BXPBGDOGANXHRC-PBYQXAPXSA-N 467.617 1.160 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 1760514352 CFOGGEWPXXOAIF-UHFFFAOYSA-N 499.591 1.699 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)c2cccs2)CC1 1760515259 UJOKOYSPJYGIPQ-UHFFFAOYSA-N 456.572 1.977 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(CCOC)C(=O)C1 1760518823 IUGHHQUCPMZCKS-UHFFFAOYSA-N 483.392 1.366 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC(C(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1760557938 AZILUZDLYBYSNA-HSZRJFAPSA-N 495.646 1.370 30 10 JDEE CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)CC1 1766204600 FDOIDRQWTNUVGZ-UHFFFAOYSA-N 487.630 1.887 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1769368533 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C=CC1(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CN(C(=O)OC(C)(C)C)C1 2267367030 NVFTXENYAUCCRU-UHFFFAOYSA-N 468.385 1.173 30 10 JDEE Cn1nc(C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267502831 ULSLJQOZBCMFLJ-HXUWFJFHSA-N 472.779 1.378 30 10 JDEE C[C@@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2281926976 TZMPIQZAYXGQBL-CQSZACIVSA-N 464.372 1.589 30 10 JDEE CC1(C)OB(c2n[nH]cc2C(=O)N2CC[C@@](CNC(=O)C(F)(F)F)(C3CC3)C2)OC1(C)C 2281932322 ZXXAUIMLESSJKH-IBGZPJMESA-N 456.274 1.630 30 10 JDEE C[C@@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CCNC(=O)OC(C)(C)C 2281954754 CJHWPCCGVIDVTB-HUUCEWRRSA-N 463.388 1.737 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 2282005009 NGUFBGIKOKUMCS-OAHLLOKOSA-N 464.372 1.082 30 10 JDEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282023730 QYEORVXMEMUXOE-XHSDSOJGSA-N 462.356 1.576 30 10 JDEE 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472.409 1.998 30 10 JDEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCS(=O)(=O)NC)CC1 1594143295 MYQFZTLXLUWTJQ-IYBDPMFKSA-N 454.597 1.754 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cscn2)CC1 1595465862 AAVUAXBHFPBGJP-UHFFFAOYSA-N 467.559 1.006 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1595467366 SGJASEMMEUZHQM-HXUWFJFHSA-N 457.623 1.909 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1595476629 MBLUPJDTVFEEBM-IBGZPJMESA-N 460.604 1.640 30 10 JDEE CC(C)[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1612884916 IFYDOOOTLODUCN-VVBPWWLESA-N 453.551 1.013 30 10 JDEE C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](O)CC[C@]34/C=N/NC(N)=S)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 1614465188 GCCGBFMXLFQGFE-SXSIPTROSA-N 477.627 1.518 30 10 JDEE CCN(CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N)C(=O)OC(C)(C)C 1615627802 AFPVFTOJOJSIPT-CABCVRRESA-N 457.601 1.741 30 10 JDEE 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JDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1595823717 RWKQCCXGMGZENL-FQEVSTJZSA-N 475.615 1.194 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)NCC)CC1 1595831614 URUPXYKNOBNITD-UHFFFAOYSA-N 480.566 1.449 30 10 JDEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC)CC1 1615325283 GNRQPEPKGCIGFB-UHFFFAOYSA-N 466.590 1.333 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCCCCC2)CC1 1632965568 BBBVINGDVJWMBM-SFHVURJKSA-N 456.609 1.462 30 10 JDEE COC(=O)c1cn(C2CCN(S(=O)(=O)c3ccc(Br)c(C#N)c3)CC2)nn1 1663296204 HZWDLUSEJPZIJG-UHFFFAOYSA-N 454.306 1.725 30 10 JDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1689942861 FLMAPAZHLXTQTQ-BZSNNMDCSA-N 458.563 1.608 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C(=O)OC(C)(C)C)C1CC1 1690001863 UTIOWVUQMFLJRG-MRXNPFEDSA-N 464.592 1.361 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2nnn(C)n2)CC1 1690138317 YKHAMRUATXOYGR-HNNXBMFYSA-N 467.509 1.095 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1690182779 GOOUHEVVNYGVDH-KRWDZBQOSA-N 460.629 1.941 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690243525 LSOJDTJWLQWGEX-VQIMIIECSA-N 461.592 1.577 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(N2CCNC2=O)CC1 1690278590 GNXHDJHRFDJAJS-UHFFFAOYSA-N 473.603 1.766 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1690724246 KVOVMSDKCVYNLM-IAGOWNOFSA-N 455.581 1.835 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1705565564 VSYPCKRJEKQLFX-IAGOWNOFSA-N 480.587 1.536 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(F)(F)Br)[C@@H]1CCS(=O)(=O)C1 1705567583 XMTIFMDTRZPJNC-VXGBXAGGSA-N 453.309 1.396 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705570432 NINYRDNENHABEH-HXUWFJFHSA-N 473.599 1.334 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCN1CCOC[C@H]1C 1705622603 MZDURHRQHXLOIW-MRXNPFEDSA-N 465.396 1.853 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[C@H]2CCCCO2)CC1 1705645065 KHBDPWAWPWGRBZ-PKOBYXMFSA-N 480.635 1.203 30 10 JDEE C=C(Br)Cn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@@]1(OCC)CCOC1 1705692305 FTKPYBQVHXGOMJ-GOSISDBHSA-N 457.373 1.690 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OCC)CCOC1 1705709999 UJLIQHKJMXTLRC-IWQHBPENSA-N 468.620 1.925 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705791722 CMJIFENVJOFUNG-INIZCTEOSA-N 459.638 1.254 30 10 JDEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705826069 MMWVPHROUHBGCR-UHFFFAOYSA-N 487.992 1.857 30 10 JDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1705889262 DKOJKEVQTDPIHC-UHFFFAOYSA-N 474.635 1.415 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCOC2)C1 1705894760 KBZBHADLTDYFSF-QFIPXVFZSA-N 458.950 1.781 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1705907041 YIDOLBQLNSUSSB-UHFFFAOYSA-N 476.603 1.248 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@](C)(C(N)=O)C1 1705931117 GKSPVZMNVMUZJQ-JOCHJYFZSA-N 469.571 1.638 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722366895 STBKGQHREQYPNT-LJQANCHMSA-N 493.655 1.704 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Cl 1722396210 GSQGEDFHCDOVBZ-IBGZPJMESA-N 461.975 1.776 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1Cl 1722412641 CMXFILWGWLGPBM-SFHVURJKSA-N 467.979 1.803 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCNS(=O)(=O)CC 1722417484 JGKXKACVBXZDCQ-UHFFFAOYSA-N 462.551 1.232 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1722434526 UJFBUWGFBOYNBZ-WZONZLPQSA-N 459.616 1.901 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CNC(C)=O)CC1 1722457315 AUOVCUHIPTZIQX-UHFFFAOYSA-N 479.610 1.911 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(NC(=O)OC)c1)C1CC1 1722651617 WBEQPWOKJXMCRE-LJQANCHMSA-N 490.586 1.992 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1722701311 MJGAEOAPZZHMEK-LJQANCHMSA-N 471.569 1.742 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1722701677 ZRTACXRNKLRFIL-NRFANRHFSA-N 465.602 1.948 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@]3(CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722731378 JIINOILSYXPXIV-SFTDATJTSA-N 454.593 1.536 30 10 JDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C)C(C)(C)C1 1723882577 CMANCIWJNASSMZ-SFHVURJKSA-N 473.647 1.712 30 10 JDEE CCN1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(=O)OC)C2)CC1 1728604642 BSQNMMJBLJKZMQ-TZIWHRDSSA-N 481.601 1.754 30 10 JDEE COCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)CCOCC1 1730514588 FBQSEPXHUOYWKF-FXAWDEMLSA-N 451.593 1.753 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1740589695 AHOGRIFNUAYFDF-UXHICEINSA-N 476.647 1.117 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740616169 VIDOEIVORZXOCY-ICSRJNTNSA-N 478.663 1.555 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCC)[C@H]1CCS(=O)(=O)C1 1740618154 CYUQAZRAQNOEHJ-KRWDZBQOSA-N 450.586 1.775 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCS(=O)(=O)N1CCSCC1 1740636307 XLMPMKHGTNASCB-UHFFFAOYSA-N 489.623 1.414 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1740657805 YSBRUIAUNAWCIN-FQEVSTJZSA-N 485.585 1.667 30 10 JDEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@H](F)COC)CC1 1740693261 VXDUFGXEUWLLNK-QGZVFWFLSA-N 463.583 1.286 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(C#N)o2)CC1 1740700784 IEYJWUJOKSEXRW-UHFFFAOYSA-N 451.531 1.675 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2cn[nH]c2)CC1 1740700932 NUORLYUKVPIRGG-KDURUIRLSA-N 454.579 1.770 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1740709884 NINRFGYUIFQGAF-QGZVFWFLSA-N 478.619 1.610 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1740720371 WKUXIFZOKUGWLA-OAHLLOKOSA-N 467.642 1.649 30 10 JDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1740946263 FNLLAUBDSHOROC-UHFFFAOYSA-N 466.564 1.069 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1740951017 AIBBAYSUZNSINJ-CRAIPNDOSA-N 462.576 1.541 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740992239 CUPAWQXSVHJROH-RDTXWAMCSA-N 484.525 1.108 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1741002669 KIAVVAAGJZEHHM-OALUTQOASA-N 496.703 1.232 30 10 JDEE Cc1nccn1-c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)cn1 1742626208 ADTIZRHJKVIWBG-AOMKIAJQSA-N 483.602 1.956 30 10 JDEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1748758330 ZJZPBJXKGOGJFW-DEOSSOPVSA-N 479.629 1.398 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748815559 RCKIRZSGZMDPGZ-XQQXVUDOSA-N 476.647 1.366 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1748905430 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C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1760515608 PHAGEKBVBFTNIV-YJBOKZPZSA-N 492.422 1.505 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(CCOC)CC1 1760519946 VMOVDLBRUMWSMW-UHFFFAOYSA-N 463.380 1.778 30 10 JDEE CCO[C@@]1(c2nnc(N3CCN(Cc4ccc(C#N)cc4)CC3)n2CC(C)(C)O)CCOC1 1765917674 APQLKSQLWLUHPX-DEOSSOPVSA-N 454.575 1.895 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](F)(C#N)C1 1766944188 HPYLEAYJHBEOMA-HNNXBMFYSA-N 460.333 1.369 30 10 JDEE N#C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CCCS2(=O)=O)CCO1 1771537025 GLQIIGJJJJYPBI-QGZVFWFLSA-N 450.952 1.287 30 10 JDEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)c3cnc4[nH]ncn4c3=O)sc2c1 1866225134 WTSYWEZGZDUSKG-UHFFFAOYSA-N 471.524 1.642 30 10 JDEE COc1ccc(Cn2nnc(C#N)c2NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1F 1870106624 CGCAMVZPTREBFI-UHFFFAOYSA-N 498.471 1.740 30 10 JDEE CCN(CCO)Cc1cc(=O)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)cn1C[C@H](C)O 1870324476 MEUWUKQNZKFAND-HNNXBMFYSA-N 474.583 1.483 30 10 JDEE 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475.424 1.447 30 10 JDEE Cc1c(C(=O)N[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282548535 YWRIZNZQKWTYEM-AWEZNQCLSA-N 464.372 1.128 30 10 JDEE CCN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CC1 2282617751 MEQDZMWGPXJNEI-UHFFFAOYSA-N 463.388 1.976 30 10 JDEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C1 2282688059 OOFLUBJFGAJDNU-KRWDZBQOSA-N 462.400 1.605 30 10 JDEE Cc1nc(S(=O)(=O)N[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)c(B2OC(C)(C)C(C)(C)O2)n1C 2282844645 GXAKVOKZXQUMGN-WZONZLPQSA-N 472.420 1.581 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2282848617 PSTOWMLNVINBQS-OAHLLOKOSA-N 482.412 1.397 30 10 JDEE COC(=O)CN1C(=O)/C(=C/c2cccnc2C#N)N(C)C(=O)[C@]1(CC(=O)OC)Cc1ccccc1 2295064059 IWKHJOUWGQWTMA-OMWANQMDSA-N 476.489 1.312 30 10 JDEE CC1(C)OB(c2sncc2C(=O)NCCN2CCN(Cc3ccccc3)CC2)OC1(C)C 2337403099 JYHZJWJWFHNTKO-UHFFFAOYSA-N 456.421 1.990 30 10 JDEE 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461.567 1.552 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C(=O)NC)CC1 1286782142 LSSBZDIZNXQETP-UHFFFAOYSA-N 468.381 1.533 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CC)CCOCC2)C1 1286808758 DXFYLUILEIJMCK-MOPGFXCFSA-N 483.635 1.599 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C(C)(F)F)cc1 1288869223 GZBODVCHRDFFMC-XJKSGUPXSA-N 454.503 1.777 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1297776525 ABBZRZJMINLHSL-QGZVFWFLSA-N 474.587 1.530 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1300384796 VSCKRRLVZDBWMP-TZIWHRDSSA-N 499.641 1.229 30 10 JDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1300422192 ZDXVVRMTZJQKIC-UHFFFAOYSA-N 468.533 1.681 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)Sc2ccccc2)CC1 1300684064 WTSFADVZTTYXDE-MSOLQXFVSA-N 462.645 1.824 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCNC(=O)[C@H](C)CCC)CC1 1300722370 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458.519 1.543 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1760518588 BRSPYOCFNDYLKI-UHFFFAOYSA-N 456.510 1.476 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(N2CCCNC2=O)CC1 1760525137 VSGBWIZMLNUXNF-UHFFFAOYSA-N 451.575 1.864 30 10 JDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@H](C(F)(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760528603 HMNKZBKEBNTQTE-YZVOILCLSA-N 461.485 1.777 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1760545930 FDYNJBLFDCJBCK-FUHWJXTLSA-N 466.633 1.697 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1760557182 BYYRBRHZESMKGR-NVXWUHKLSA-N 479.628 1.874 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ccc(S(C)(=O)=O)cc1 1762300893 AHQYZISLOHDWDM-GOSISDBHSA-N 490.586 1.408 30 10 JDEE C[C@@H]1CN(C(C)(C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1763026606 HOWMINPCNYUXDV-KZNAEPCWSA-N 487.630 1.886 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C1 1765671297 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1.940 30 10 JDEE CCN(C[C@@H]1COc2ccccc2O1)C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 608920332 LOUQYXDOTRLWAA-HXUWFJFHSA-N 484.578 1.553 30 10 JDEE CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(Cc3ccccc3)c2=O)c1C 728557207 HTAIWUPPXLMOSS-UHFFFAOYSA-N 464.591 1.662 30 10 JDEE C#CCN(C(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1)[C@H]1CCS(=O)(=O)C1 729332475 ZFYBBOVXBJIRHS-SFHVURJKSA-N 490.559 1.521 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1-c1ccc2c(c1)CCC2 920396600 JMZAYMZGMKFKRR-UHFFFAOYSA-N 494.580 1.774 30 10 JDEE Cc1nn(CCO)c(C)c1C=NNc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1N 1084607594 HNSVLBWMYHJTRV-UHFFFAOYSA-N 497.507 1.993 30 10 JDEE Cc1ccc(NC(=O)C2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)nc1 1191635190 FODOESNQKLCTSK-UHFFFAOYSA-N 451.531 1.557 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)c1 1213988449 CNXLLJALXDXKKZ-NVXWUHKLSA-N 466.503 1.733 30 10 JDEE CC#CC[C@H](CO)NC(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1221961936 OVAOFIRAYWUNQX-QGZVFWFLSA-N 453.561 1.178 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cc(C)cc(C)c1 1286297922 ZAWAKQUTGABVCH-AZUAARDMSA-N 461.588 1.765 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1286385529 NQPNDDKTIJEYCC-WMZOPIPTSA-N 498.602 1.619 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1286395726 UGMPQPNUYIDTSM-KRWDZBQOSA-N 455.544 1.079 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@](C)(O)CCOC)CC1 1286470002 QBSQQBPNEZTVAK-HSZRJFAPSA-N 474.993 1.404 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(OC)c(OC)c2OC)CC1 1286470254 VSVBWNCZTGEUAJ-UHFFFAOYSA-N 470.574 1.440 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](Cc2ccccc2)OC)CC1 1286485480 NANVDUZLEMSBNE-NRFANRHFSA-N 466.586 1.640 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2COCCO2)CC1 1286491642 ZVMFCFWEUYBOAC-HXUWFJFHSA-N 453.543 1.259 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1286726501 FTKCCAZRIBHSKK-HZPDHXFCSA-N 472.612 1.537 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CC1(C(N)=O)CCOCC1 1286741855 RZMXJNDSGIBTSU-UHFFFAOYSA-N 477.569 1.747 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1286780173 QORILYKJBPMFMZ-QGZVFWFLSA-N 492.422 1.649 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(C)c2C1 1286781163 VFDFDWZZJMKJOX-CQSZACIVSA-N 450.540 1.201 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1286791007 ROYNZIUCBSFMIG-UHFFFAOYSA-N 467.574 1.852 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1286824556 FCQWGSKBOBZHOY-MRXNPFEDSA-N 450.565 1.980 30 10 JDEE CC(=O)N1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 1286857902 AYVXZFIVTIRDRH-QUCCMNQESA-N 456.572 1.699 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CN(Cc2ccccc2)CCO1 1286958538 AASLBZKYISZUBT-QWFCFKBJSA-N 475.619 1.385 30 10 JDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](C(=O)Nc2cn[nH]c2)C1 1298225827 DALDLDLZWUAYCH-YOEHRIQHSA-N 458.544 1.350 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(F)F)c(F)c1 1300307899 JVWHASQVEFWEAN-CXAGYDPISA-N 487.504 1.858 30 10 JDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1300421277 AZNORSHDEFNKRL-LJQANCHMSA-N 455.607 1.383 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CCS(=O)(=O)N(C)C 1300515899 CKYCYMKRMNNCNS-UHFFFAOYSA-N 456.391 1.733 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)OCCc2sccc21 1300537868 KQWYYMLGSSMGPP-AVRDEDQJSA-N 489.623 1.233 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccco1 1300915562 OKWKDOOAJTTYTA-OXQOHEQNSA-N 453.565 1.514 30 10 JDEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1300999808 GWEHIVOSBXSCBZ-UHFFFAOYSA-N 479.541 1.842 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1301189617 YIHBDXSWOJJOQH-WDSOQIARSA-N 453.609 1.971 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1301258029 JOPKKIIJZDUKIA-FHWLQOOXSA-N 469.608 1.209 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CN(C)C1=O 1301340230 XNGLLXJDZJZGQV-CVDCTZTESA-N 468.583 1.723 30 10 JDEE C=CCN(CC=C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)N1CCOCC1 1301372558 ZZVJUWLETMXOCP-UHFFFAOYSA-N 458.950 1.899 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCOCC2)CCO1 1301902326 HEKJCROYQRXFND-NRFANRHFSA-N 467.574 1.269 30 10 JDEE Cc1cnn([C@@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCNS(C)(=O)=O)C2)c1 1304599240 CPLQGFKSPMWQLS-LJQANCHMSA-N 454.560 1.712 30 10 JDEE CCCNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1313480484 DCGUSQCJFAZFDX-IBGZPJMESA-N 464.574 1.734 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nccs2)C1 1314558053 HVTRPYHKOBFXNA-KRWDZBQOSA-N 473.584 1.790 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCOC2)c1 1358902158 GMDFLGKWNLZBSI-OALUTQOASA-N 471.583 1.663 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCN2CC=CCC2)c1 1358903241 PKDDMKCHYLUKIU-UHFFFAOYSA-N 461.570 1.719 30 10 JDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1358928122 SYDFYWKKSQGOLZ-HXUWFJFHSA-N 455.607 1.413 30 10 JDEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1358958798 WDYSIYAIWZUNSH-GOSISDBHSA-N 455.540 1.844 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358960243 ZZXXVMSNAAGZLW-MRXNPFEDSA-N 476.990 1.666 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1358967767 RKJVBFVIOXMWDZ-TVTNDZMWSA-N 478.546 1.163 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cc(C)nc(N2CCCC2)c1 1359018035 AUNHSNZHYBWYKP-UHFFFAOYSA-N 451.575 1.952 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)cc1 1359057026 QENRLZXVGMUKNP-IBGZPJMESA-N 479.628 1.622 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1359121675 CHUINSDYRLIMKV-OALUTQOASA-N 478.623 1.312 30 10 JDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1359287420 CARQSMKOIJQCJV-LJQANCHMSA-N 467.622 1.675 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1359302357 DQHDZLFDKNYJQD-UHFFFAOYSA-N 473.581 1.766 30 10 JDEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCN(S(C)(=O)=O)CC2)cc1 1359308353 MFGTVMVFDVKYBY-UHFFFAOYSA-N 468.583 1.959 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1359311374 YWMZYACBTMVWAE-UYAOXDASSA-N 470.549 1.779 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1359326866 LOYYXUHKSHZYIJ-UHFFFAOYSA-N 489.577 1.354 30 10 JDEE Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](c3cccc(C#N)c3)C2)c(=O)n1C 1361263550 DWXPBSKGGZPWOO-NRFANRHFSA-N 475.553 1.921 30 10 JDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)CC1 1503272445 HCLJYVAHIBVVPF-UHFFFAOYSA-N 487.630 1.447 30 10 JDEE C#CCCCCn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507573932 KGNKAJORDFUZIS-XMMPIXPASA-N 472.590 1.049 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1507624507 ATBONNXRITZKCU-QGZVFWFLSA-N 466.585 1.015 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC[C@@H](C(F)F)N1CCOCC1 1507638351 ZWPMQIXLCGQHJN-KRWDZBQOSA-N 457.485 1.354 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(O)CCCC2)CC1 1507716220 OOLALFSCWJEUIP-UHFFFAOYSA-N 456.978 1.922 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCCCCO)CC1 1507723369 FYUSIOBSGYLXJE-UHFFFAOYSA-N 463.586 1.983 30 10 JDEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)NC)CC1 1507789295 AWTNIRQSVVDFEB-UHFFFAOYSA-N 468.381 1.640 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCCC)CC1 1507805308 MOVUARRHUXOREV-UHOSZYNNSA-N 482.651 1.612 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(NC(N)=O)cc2)CC1 1507883886 BHQJQFALVHVYCX-GOSISDBHSA-N 475.575 1.306 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1508071278 AKJCHXANRDILLQ-LBPRGKRZSA-N 450.341 1.015 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1508071294 CQJKAMKJCDKQNQ-UHFFFAOYSA-N 452.968 1.419 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C(=O)NC)C2)cc1 1508096168 CKEIEWBBSSXEIC-SJLPKXTDSA-N 476.603 1.464 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC(N2CCNC2=O)CC1 1508142906 CELVRBFCSGJWDY-UHFFFAOYSA-N 472.615 1.772 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCC2)CC1 1508163962 XHXIQQRNVGFLMX-LJQANCHMSA-N 484.692 1.595 30 10 JDEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1515491139 BACLCMGEURJKFX-UHFFFAOYSA-N 452.563 1.879 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CC[C@H](C(F)F)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539211647 MYWMTIUDCMYDLV-IEBWSBKVSA-N 494.568 1.323 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1539221325 ZRTGCIPPQQRPQY-JKSUJKDBSA-N 466.510 1.189 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1539229409 CFLFQBJDPNSTEG-SFTDATJTSA-N 487.630 1.025 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCSC1 1539325037 ADXVVQSTOWLFEG-QZTJIDSGSA-N 451.618 1.217 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c[nH]nc2c1 1539370698 YXLBPICKFDQIBE-LJQANCHMSA-N 457.560 1.190 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2nncn2CC)CC1 1539481618 BZOQFMXBCREHJG-UHFFFAOYSA-N 450.522 1.634 30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccc(C(N)=O)nc2)CC1 1539836038 MCLLQZPNUZSWBV-UHFFFAOYSA-N 481.582 1.894 30 10 JDEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCS(=O)(=O)C1 1540154213 RMIKTUYJFCSCGG-KRWDZBQOSA-N 456.366 1.764 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](COC(C)C)C1 1540865257 ZKYDLAUQJAZFRT-SFHVURJKSA-N 477.587 1.281 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC(=O)N(C)C[C@@H]1C 1540870112 FGDDZZIPVRLZED-INIZCTEOSA-N 475.594 1.362 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1540902429 JBPPXXDYWQGGEF-AQNXPRMDSA-N 467.636 1.668 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(C3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540908995 UKZIIHNARYWFNF-HSZRJFAPSA-N 481.663 1.984 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(CC(=O)N[C@@H](C)CC)CC2)nnc1C(C)(C)C 1540909070 WPNRRWFQGOIHAI-KRWDZBQOSA-N 454.641 1.213 30 10 JDEE CC(C)COc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1541578071 IDXPZAVGVUICRN-OALUTQOASA-N 459.572 1.992 30 10 JDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 1543203529 XCOGWIHHFWGGTQ-INIZCTEOSA-N 454.549 1.431 30 10 JDEE C#CC[C@H](COC)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1543469336 MEMHZGLUKYAQGX-LLVKDONJSA-N 450.298 1.310 30 10 JDEE CCCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@](F)(C#N)C1 1547257898 DXAYDNWBDXYPHB-DEOSSOPVSA-N 468.581 1.611 30 10 JDEE CN(C)CC(=O)N1CCC([C@@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(N)=O)CC1 1548397148 YMPBIDZOPRVSPB-ZWKOTPCHSA-N 451.493 1.915 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)ccc1F 1583307612 XVHHOCVLITYQMG-OAHLLOKOSA-N 457.524 1.656 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCS(=O)(=O)C1 1587581286 ZHXZSVCRXAAOKS-HZPDHXFCSA-N 465.601 1.088 30 10 JDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1ccc(S(N)(=O)=O)cc1 1587970438 XWVVGDIUGZUBGJ-UHFFFAOYSA-N 487.611 1.198 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(CC)CCC1)[C@@H]1CCS(=O)(=O)C1 1588029193 FAPCTDSTGLDUCO-HZPDHXFCSA-N 457.622 1.095 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1588040786 QNFYKSXDBWEXGR-UZUQRXQVSA-N 490.582 1.395 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1588049338 FFUBSCBJBPZQPN-KRWDZBQOSA-N 460.510 1.826 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1588070394 ZULKJMOBGOUBDE-MRXNPFEDSA-N 495.527 1.687 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1ccnc1 1588647480 VRUJWLYKVUPWRT-IBGZPJMESA-N 454.556 1.500 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1588732823 HANZAYZEAIZCDA-SLFFLAALSA-N 485.633 1.675 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)COc2ccccc2OC)CC1 1588732882 ISXPVXKPFKOWAR-HXUWFJFHSA-N 466.586 1.993 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1588749873 ANCJGVSIEHKENL-HYBUGGRVSA-N 496.603 1.430 30 10 JDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@]2(O)CCN(C)C2)CC1 1588876844 LCDOEVOOHSQMLP-HSZRJFAPSA-N 456.616 1.401 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H](C)N2CCCCC2)CC1 1588923811 MOVKGZSCOIHSFM-LJQANCHMSA-N 452.607 1.909 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1593746387 CXIUCQNQAVBPIE-MOPGFXCFSA-N 464.592 1.183 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1594812585 HSETVAFBYNZCSQ-FCGDIQPGSA-N 469.608 1.065 30 10 JDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](N1CCOCC1)C(F)(F)F)C1CC1 1595054214 DKBNBWUQEBINEV-ZBFHGGJFSA-N 463.526 1.598 30 10 JDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1595267249 QWYUAAWXPXFOAP-MRXNPFEDSA-N 460.501 1.416 30 10 JDEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1595314470 XXSIRGKRISYEFH-UHFFFAOYSA-N 467.574 1.314 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(N2CCNC2=O)CC1 1595489069 CLPSKMMOUKKPOV-UHFFFAOYSA-N 477.367 1.332 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2cnccn2)CC1 1595576874 ACPPNHTUPBFFLJ-UHFFFAOYSA-N 462.558 1.893 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1595772662 GDZZJJZVEWZTDQ-LJQANCHMSA-N 490.630 1.580 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)N(CC)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1595831821 WWDNKRQFXYXVIQ-IPJJNNNSSA-N 469.652 1.838 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1595871078 FEFDFWXTADTJQU-SFHVURJKSA-N 472.619 1.528 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1c[nH]c2cc(F)ccc12 1611710925 HLLSGMIPKUTIKE-BBRMVZONSA-N 461.523 1.480 30 10 JDEE CC1(C)CN(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)CCO1 1611796932 FHHALTHTRYFRKV-GOSISDBHSA-N 474.587 1.188 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC3CCC(C(=O)NC)CC3)nnc12 1638563660 ZCHNPIVRIFNWOS-UHFFFAOYSA-N 454.556 1.743 30 10 JDEE C=CCN1CC[C@@H](N(C)CC(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OCC)C1=O 1645434981 OBHMVQZAHRSSHF-CQSZACIVSA-N 450.561 1.592 30 10 JDEE N#Cc1ccc(CN2CCN(C(=O)NCC3CCN(S(=O)(=O)C(F)F)CC3)CC2)cc1 1669083766 BNUBNCDVMYLYHY-UHFFFAOYSA-N 455.531 1.650 30 10 JDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1685598370 UALUXVSMMDHKLY-ZGOJQLDESA-N 454.545 1.759 30 10 JDEE CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 1686341042 BROVWWMBWSCWEU-GCNKWRCBSA-N 454.556 1.391 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](F)COC)c1 1689868286 BPQPIHMFOZZMPR-QGZVFWFLSA-N 465.489 1.966 30 10 JDEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1689876554 DCEHNNQQYITVKQ-IRXDYDNUSA-N 454.506 1.508 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1689983711 FWGURVJKGJJISF-RTWAWAEBSA-N 452.584 1.928 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1OCC=C)[C@H]1CCS(=O)(=O)C1 1689987693 ARNOUDRKXCBFET-FQEVSTJZSA-N 466.567 1.918 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1689987801 CMLAHVSKQZDTNK-BQFCYCMXSA-N 475.546 1.463 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1689996825 PGDQYLUCAIKMEP-GOSISDBHSA-N 471.587 1.674 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@H]2NC(=O)CC2(C)C)n1 1690109333 NVHXMJGVIZOTLT-HXUWFJFHSA-N 462.558 1.738 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CCN(CCN(C)C)CC2)CC1 1690115020 OQIVWPHSTGMJQD-UHFFFAOYSA-N 480.617 1.882 30 10 JDEE C#CCSCCn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OCC)CCOC1 1690186411 PKJGDRSBKKOXDU-JTSKRJEESA-N 476.603 1.063 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690239107 RGHBJBHDFMYJNK-ZCNNSNEGSA-N 492.621 1.157 30 10 JDEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1690479054 SWOMVVGYSPUDHC-UHFFFAOYSA-N 456.522 1.558 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H](COC)OC)C1 1690696774 ISBBSSDDVTUITN-SJORKVTESA-N 454.531 1.635 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](OC)[C@H](OC)C1 1690717376 DLGWVCWASHZPJC-IYBDPMFKSA-N 488.408 1.497 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(C2CCOCC2)CC1 1690725683 YRCMRNWOXOGUGU-UHFFFAOYSA-N 477.606 1.910 30 10 JDEE CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)NC2CC2)CC1 1698310912 DYMIYEWSKYSJAE-UHFFFAOYSA-N 471.587 1.347 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC2(CCOCC2)C1 1705495742 UTCOXIHJZIYFED-AEFFLSMTSA-N 451.593 1.276 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1705522844 GLCOEMKZRVAQAG-IBGZPJMESA-N 478.601 1.908 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1705560667 JDPYHSNOHVFCMF-PKOBYXMFSA-N 471.583 1.495 30 10 JDEE C#CCN(c1nnc(-c2ccc(COc3ccccc3)o2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1705562750 JEKMQSFXDUCVRT-SFHVURJKSA-N 497.577 1.880 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1705564385 AZGYLGKHISOIKD-HKUYNNGSSA-N 457.556 1.107 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1705596891 PQGZZJBLPOMFLQ-OAHLLOKOSA-N 450.490 1.852 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(O)CCSC2)CC1 1705646373 XVOWYGSLZIXJTP-XMMPIXPASA-N 485.610 1.796 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1705735813 WUALXDVLQNJWIX-HKBOAZHASA-N 487.649 1.639 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](OC)[C@H](OC)C1 1705898209 DZDGHYVOFBYKJE-IYBDPMFKSA-N 468.327 1.999 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](NC(C)=O)C1 1705901544 OQEQSVHAVLZRJN-OAHLLOKOSA-N 450.503 1.001 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C[C@H]2CCCO2)CC1 1705904960 DSPWLWGUHOQBPM-HXUWFJFHSA-N 454.575 1.481 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](CC)C1 1705907622 SDKMMXDDVWQDEB-QFIPXVFZSA-N 467.618 1.560 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCOCC2(C)C)C1 1705916117 ZDWBAIOYLRCIER-SFHVURJKSA-N 455.563 1.818 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1705924527 DZKXDVQGVAYCOZ-IRXDYDNUSA-N 467.617 1.912 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCS(=O)(=O)c2ccccc2)C1 1705925363 OOMMCPTTZHOHSO-RBUKOAKNSA-N 494.639 1.826 30 10 JDEE CCOCc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)cc1 1710633468 GSCMSKYYHREKKX-FXAWDEMLSA-N 476.603 1.934 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1711019348 CQJXKXFLBUCSBU-INIZCTEOSA-N 499.519 1.213 30 10 JDEE COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)c(F)c1 1711852909 ABFYICKNDQIWDL-YLJYHZDGSA-N 482.513 1.249 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@]2(C)CN(C)C2=O)c1 1722308656 COUKKXHUYDGUNN-MHECFPHRSA-N 450.543 1.707 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 1722361038 XIBAGQIPGJDXFT-LJQANCHMSA-N 478.534 1.353 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)COCC)[C@H]1CCS(=O)(=O)C1 1722370221 AQGRJKYQQUUPAL-KRWDZBQOSA-N 451.593 1.090 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1722436664 JXFWQXYWMMNBAG-QYZOEREBSA-N 471.606 1.630 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1722454462 LJSMPQYTBQBLLT-MRXNPFEDSA-N 476.628 1.229 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CCOC)C1 1722510256 SHYMFWSFWTYPLC-NMLBUPMWSA-N 483.635 1.455 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](NC(=O)C(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1722704401 SHYJSXJXXWTFFM-MBSDFSHPSA-N 462.595 1.362 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(=O)NC(C)C)C1 1722710116 DLONHQXDBRXWQW-QGZVFWFLSA-N 475.619 1.853 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(c3ccccn3)CC2)nnc1[C@]1(OCC)CCOC1 1722731010 ATNZEVSFTSREGQ-QFIPXVFZSA-N 476.603 1.253 30 10 JDEE CN(C)c1cccnc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1729330692 HIWKXNLXHFZQJL-SFHVURJKSA-N 451.556 1.949 30 10 JDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1729745804 GVYFZWFBBICZAO-IBGZPJMESA-N 484.586 1.624 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)c2ccco2)c1 1740563389 UIVHWCQLWLASFP-MHECFPHRSA-N 462.510 1.786 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc([C@@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1740621918 QFGZJCSINMYATQ-UZLBHIALSA-N 454.556 1.407 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1740627806 SOCSRYPYEXLHJB-NHCUHLMSSA-N 485.610 1.549 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCOC[C@H]1OC 1740684733 AFSKXJLCPHCKLX-NHCUHLMSSA-N 469.590 1.590 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1740705030 AZSZTABQKBYRHR-FCHUYYIVSA-N 493.612 1.507 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[C@H]2CCCCO2)CC1 1740705484 HLKJRFLNGUGBIA-WOJBJXKFSA-N 477.631 1.495 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2nc(C)c(C)s2)C1 1740982890 YEZGSJSMKZWBGD-ROUUACIJSA-N 496.659 1.708 30 10 JDEE CC(C)NC(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C#N)C1 1741690402 IBNKIYWZCGIGOG-QFIPXVFZSA-N 480.617 1.286 30 10 JDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1748751790 MGQDSQVXVPTAJH-HXOBKFHXSA-N 458.563 1.859 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1748808779 NJJGBSHNZRYTHR-IBGZPJMESA-N 457.600 1.906 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CC(F)(F)C2)n1 1748971117 DEKNLYJVHRIIQY-QGZVFWFLSA-N 482.557 1.708 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCN2CCCS2(=O)=O)CC1 1748977358 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30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOc1ncccc1F 1300664008 MUFCNVXZPPUNTJ-UHFFFAOYSA-N 477.500 1.891 30 10 JDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CC(F)(F)Br)CC1 1300698733 ZOAXLDFQDPLIHC-UHFFFAOYSA-N 457.279 1.749 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCS(=O)(=O)CC 1300756894 VSKGRWRAKJIACJ-UHFFFAOYSA-N 474.612 1.429 30 10 JDEE CO[C@H]1COCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1300852270 DEBDBMVLDUKGIX-UTKZUKDTSA-N 485.564 1.805 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1301189340 VBQQOBKYFBLAHB-QZTJIDSGSA-N 489.664 1.371 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCS(=O)(=O)C1 1301354680 GPJQSFNVXIGYTD-QFIPXVFZSA-N 477.562 1.282 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NC(C)(C)C 1301405649 VDJDEHOEYGSUON-INIZCTEOSA-N 454.597 1.094 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)N(CC)CC)CC1 1301505987 DQGKIOHUBSQWBJ-UHFFFAOYSA-N 469.590 1.764 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)OCC)CC1 1301578178 TVCAGMCFQFIQBJ-UHFFFAOYSA-N 451.524 1.964 30 10 JDEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2C[C@H](N2CCOCC2)C(F)(F)F)CCO1 1303009117 FMXWXDIMXKYTEF-YJBOKZPZSA-N 484.454 1.988 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(-c4cccc(OC(F)F)c4)n3CC(=O)N(C)C)CC2)c1C#N 1304730293 BVXWJQMSNUQFCB-UHFFFAOYSA-N 499.526 1.875 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1358955481 MSULWDVGKICHPI-INIZCTEOSA-N 464.617 1.305 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1358956726 JYBSSEBDKWMWTO-HFXUHXBXSA-N 491.614 1.965 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1358960339 CCXWEMUKCDXKMT-UYAOXDASSA-N 459.620 1.426 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCc1nccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1358961359 XFWASCOJSOZFPO-OAHLLOKOSA-N 493.515 1.962 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1358965393 UJIFGLUCKDLVNE-LJQANCHMSA-N 456.597 1.898 30 10 JDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1359001740 BTEMNYIPZUDSEN-KRWDZBQOSA-N 456.366 1.055 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCOCC2)c1 1359024878 XSUPXPGNHPKFNN-HXUWFJFHSA-N 473.599 1.151 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2cnn(C)c2C)CC1 1359030936 KSIIILXHWDWRSY-UHFFFAOYSA-N 465.558 1.816 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](Cc1ccccc1)OC 1359069867 AETZNDRHDBASQH-PQNGQFLHSA-N 487.626 1.861 30 10 JDEE C=C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCOCCS(C)(=O)=O)CC1 1359164200 IFZZTMZBOKAFNV-UHFFFAOYSA-N 486.598 1.893 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359301954 RBWGYNIGMSBXHX-HXUWFJFHSA-N 486.020 1.567 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccsc2)C1 1359321485 HAKNXSLZLVNPOU-SJORKVTESA-N 453.590 1.502 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCCCC1 1359473651 FZSYLMJMXDVLLA-QZTJIDSGSA-N 467.640 1.471 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(COC(C)(C)C)c1 1360713052 FDDHHKNPUJPVQX-QFBILLFUSA-N 476.603 1.980 30 10 JDEE COc1ccc(CN2CC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2=O)cc1 1444048247 AKKXRFNRPVLEAO-QRWLVFNGSA-N 456.524 1.151 30 10 JDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CCS1 1494477373 GLNQVKDVGMQXMB-OAHLLOKOSA-N 452.544 1.824 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507522051 ALCNZKWIVIUJPY-ZHRRBRCNSA-N 462.572 1.750 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507632571 NKOZFQAPFWTZFE-SCTDSRPQSA-N 457.556 1.323 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1507639328 XKNXBNMMSUBXLQ-AFDCHOCNSA-N 478.615 1.610 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOCC1(C)C 1507709704 XXMDOQKCQNPVSO-UHFFFAOYSA-N 455.559 1.913 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](CC)Oc2ccccc2F)CC1 1507722373 VLXXVWVZCCVXTN-ZWKOTPCHSA-N 478.594 1.640 30 10 JDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507747471 KJJJBJUFNAVJCU-UHFFFAOYSA-N 498.609 1.256 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1507802827 DUAVXSZZOLIIJH-MTNOOBJLSA-N 480.635 1.365 30 10 JDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1508062068 JHESDJSPXUNJTN-UHFFFAOYSA-N 452.606 1.706 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1508083044 ZYPAGCKQJCPJPR-SFHVURJKSA-N 457.542 1.933 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H]2CCOC2)cc1 1508101189 VUXOFSGBIMVPHW-TZIWHRDSSA-N 491.614 1.697 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO1 1508105889 UBLNSWJFHGTNLY-CTNGQTDRSA-N 491.614 1.839 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2cc(F)cc(F)c2C1 1508132086 USARODVUWQKKQG-UHFFFAOYSA-N 465.526 1.956 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1508144407 DLACFJMQCNQUPG-HRAATJIYSA-N 498.602 1.018 30 10 JDEE CC1(C)CCCN(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)C1 1510311642 CPNCOTBNQICMQD-UTKZUKDTSA-N 483.614 1.175 30 10 JDEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CCC1 1515975168 GNPXTIMYLWNROG-KRWDZBQOSA-N 485.614 1.593 30 10 JDEE CN(C)[C@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)CCSC1 1516995716 AMVBBOHNXYQZMS-AHRSYUTCSA-N 452.650 1.748 30 10 JDEE Cn1cnc(Cn2c(COc3ccc(Br)cc3)nnc2N2CCO[C@@H](C#N)C2)n1 1517401112 BQSRZURARZWESS-HNNXBMFYSA-N 459.308 1.525 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC(=O)NCC(F)(F)F)c1 1539040367 RQGFHGMYSOLPEU-UHFFFAOYSA-N 474.447 1.413 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC(=O)NCC(F)(F)F)c1 1539046051 LQDBLUOBFGCUAE-UHFFFAOYSA-N 452.437 1.549 30 10 JDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539139529 KLVGGJZKONFKAA-UHFFFAOYSA-N 480.569 1.550 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1539223989 AYUKUTIEEFIYHO-PZJWPPBQSA-N 458.584 1.878 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCOCCS(C)(=O)=O 1539241628 GLKBSTCLCVKCSV-UHFFFAOYSA-N 454.350 1.170 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)NC(C)C 1539242015 MSRFANXGJCRZER-UHFFFAOYSA-N 467.393 1.447 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2c[nH]c3ccccc23)CC1 1539432007 XBUYHFKGAWWXMU-QGZVFWFLSA-N 455.588 1.368 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2nnn(C)n2)CC1 1539469291 QYPGZFCOAIOVCD-UHFFFAOYSA-N 484.362 1.245 30 10 JDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539519415 GKHLOGDAVPMKTO-UHFFFAOYSA-N 468.674 1.860 30 10 JDEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC(=O)N(C)C[C@H]1C 1539525126 UIVBYGGUXHIBBW-OAQYLSRUSA-N 481.670 1.676 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1539631735 NCIQBSUSLQQXLM-XSLAGTTESA-N 467.592 1.438 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCC)C1 1539751615 QNDXKRJLGSMXPG-MSOLQXFVSA-N 457.597 1.209 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(OCCOC)CCOCC2)CC1 1539889977 FXRGTEGSZOEAJM-IBGZPJMESA-N 468.620 1.795 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(OCCOC)CCOCC2)CC1 1539889978 FXRGTEGSZOEAJM-LJQANCHMSA-N 468.620 1.795 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1540866460 NXDHKKAVWYAGTR-UHFFFAOYSA-N 492.588 1.306 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCc2cnccn2)CC1 1541002359 CFYOYEGTISAFAS-UHFFFAOYSA-N 459.558 1.450 30 10 JDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CCN1CC(F)(F)F 1544754089 CFMDWSMOKKYZPY-CQSZACIVSA-N 471.509 1.439 30 10 JDEE CCN(CCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1)S(C)(=O)=O 1547575128 DTEPCYJJDNRLCY-GOSISDBHSA-N 450.540 1.408 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2ccsc2)CCO1 1554442413 AOEPHJCLRLFRSW-GCJKJVERSA-N 452.540 1.737 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(OC)CCOC2)c1 1587693350 RNOPOZVQVXGQRX-WZONZLPQSA-N 452.515 1.091 30 10 JDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1587879234 PQJOGFCZEJALKX-GCJKJVERSA-N 452.607 1.542 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1588041648 YZZIDFHBPNKXOE-HXUWFJFHSA-N 474.631 1.501 30 10 JDEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1588074271 LROQOVDFIMHRFQ-MSOLQXFVSA-N 492.623 1.621 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc(Br)cn1 1588574981 XDGDLHABTJGIAE-UHFFFAOYSA-N 473.335 1.671 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCO2)CC1 1588961508 BHQRMEHWIWVSNV-KRWDZBQOSA-N 456.572 1.414 30 10 JDEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C(N)=O)C1 1589096920 ICKOIQDAPFJNLM-HXUWFJFHSA-N 467.643 1.321 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1593695338 DBUIAAPJVVBPQP-FUHIMQAGSA-N 457.597 1.255 30 10 JDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1593736290 ZMPQYEJNCAAOCJ-FQEVSTJZSA-N 468.606 1.851 30 10 JDEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCNS(C)(=O)=O)CC1 1594201851 ANWFDUBBMBFMDR-UHFFFAOYSA-N 482.632 1.147 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(C(C)=O)CC1 1595250631 ITIGBXISQRIVNO-HXUWFJFHSA-N 455.563 1.221 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1595561949 INTMALBSPKUNPH-QGZVFWFLSA-N 468.587 1.630 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1595699855 IGMUKSSJWOGLQH-MRXNPFEDSA-N 467.979 1.715 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1595777456 MZJGDNDLDVFMON-OALUTQOASA-N 454.556 1.665 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1595788781 JMULUEBXEPEZJB-OAQYLSRUSA-N 458.519 1.573 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1595805576 QSMKPLWIOWMDLT-HXUWFJFHSA-N 472.615 1.818 30 10 JDEE Cc1nn(C)c(N2CCN(S(=O)(=O)c3cccc(NC(=O)C(F)(F)F)c3)CC2)c1C#N 1622033264 GOQFTQOBDQQCRB-UHFFFAOYSA-N 456.450 1.612 30 10 JDEE C#CCN(C(=O)N[C@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCOc2ccc(Br)cc21 1683565331 MGEOANQYHGVLLL-HOCLYGCPSA-N 456.362 1.951 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1F)[C@H]1CCS(=O)(=O)C1 1689978322 SFHOQLOEDOJJHL-SFHVURJKSA-N 459.547 1.637 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1689993326 AXVRVUCEQWESCE-HXUWFJFHSA-N 468.583 1.731 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(O)CCO[C@H]2C)CC1 1690154534 QOMJRYDRFMFYJG-LOJFUVEFSA-N 473.618 1.702 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)cc1 1690206088 GZODCZRPLQFAPP-NFBKMPQASA-N 473.599 1.854 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(COC)CC1 1690246147 RHCHUVMOYNXTJH-ZCNNSNEGSA-N 481.619 1.375 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2c1OCO2 1690265074 JNJAVTYKXVUMQD-GOSISDBHSA-N 463.560 1.790 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1690676291 VRFHTKBBODOIBG-KRWDZBQOSA-N 473.965 1.853 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1690678091 KRJBYWVIRHIGMD-QGZVFWFLSA-N 456.551 1.256 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ccc(C)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1690678425 WAGNMXZLZVKGDX-DEOSSOPVSA-N 454.575 1.867 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1690729016 DFFHHRDYKGPGHY-HSZRJFAPSA-N 473.599 1.408 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CCC(=O)NCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1705560618 LXGHSVRSKRKLEJ-IBGZPJMESA-N 457.600 1.909 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705563768 DYZMZJBETMNPBU-MRXNPFEDSA-N 454.560 1.362 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C)N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1705565073 FTCLLGHZYWCVMJ-NHCUHLMSSA-N 485.658 1.301 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1705567172 VGFQNGCDJJYQNJ-QGZVFWFLSA-N 476.509 1.955 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705571149 WHCUQMSVCSFCIK-QZTJIDSGSA-N 493.580 1.495 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCCCC1=O 1705576720 PXHKABUEMZPYOJ-UHFFFAOYSA-N 453.568 1.824 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2cccc(C(N)=O)c2)CC1 1705634627 DTBRGNZORZVULI-DEOSSOPVSA-N 452.559 1.027 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1705652752 LYQNQSYOLFJGRW-HXUWFJFHSA-N 487.674 1.404 30 10 JDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1705758570 ZNXRSUWIBVUXDB-QGZVFWFLSA-N 457.000 1.922 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCN(C(C)=O)CC2)CC1 1705782230 RDAGRZHDYTYFKF-HXUWFJFHSA-N 480.635 1.272 30 10 JDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1705818466 KXNCRAWMAAPWGW-YYIAUSFCSA-N 494.618 1.322 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@](=O)C(C)(C)C 1705875600 AAXZEWUWPRKHSJ-BCOMRZATSA-N 459.638 1.337 30 10 JDEE C=CCn1c(N2CC[C@@H](S(=O)(=O)NCC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705893534 MHKPBPFTNYBPOL-OWCLPIDISA-N 454.597 1.753 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(N(C)C)CCSC2)C1 1705914649 CZYAZUYEOXIKDU-MDZRGWNJSA-N 458.654 1.107 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(NC(C)=O)CC1 1705934978 CRRZUOPXUBBEGJ-UHFFFAOYSA-N 467.542 1.853 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1705936701 WUYWDWNKXMDGHM-MRXNPFEDSA-N 455.581 1.440 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCc1nc2ccccc2[nH]1 1706870685 GZASQEMKLDQUIK-VBKZILBWSA-N 460.539 1.839 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1722326758 VYCSCRZZCWWYHL-RTWAWAEBSA-N 473.599 1.993 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1722358823 LZPUEMVYNSBCSR-NTKDMRAZSA-N 498.609 1.252 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722362317 SUDBKAHAGBPPBA-OFNKIYASSA-N 451.552 1.875 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722362856 WQASVTFIFQXMHT-SLFFLAALSA-N 474.631 1.410 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(COC)c1)[C@H]1CCS(=O)(=O)C1 1722369652 DENOOALGERRMNR-FKBYEOEOSA-N 488.610 1.824 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1722370575 CNYPUNWIFITXFB-CTNGQTDRSA-N 456.568 1.871 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 1722371711 XQHSJLINJPNUTP-OAQYLSRUSA-N 473.599 1.326 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1722629517 LBHFZRZHHUQCOG-WOJBJXKFSA-N 467.636 1.322 30 10 JDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1728207078 BSUNXHWGPLEMHP-VQTJNVASSA-N 454.531 1.639 30 10 JDEE CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1729209025 GVOHPWMSEFDSPK-UHFFFAOYSA-N 456.572 1.876 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740617470 RLRJTOJGDKKQQH-SJLPKXTDSA-N 469.633 1.406 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(CC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1740617926 ZAXMAGHSDFGOHN-WMZHIEFXSA-N 480.631 1.764 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1740619954 RQOKGMMZGPMXDU-RBUKOAKNSA-N 459.572 1.732 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)NC(C)(C)C 1740647612 RJMIJQSCLDVGNT-UHFFFAOYSA-N 484.626 1.963 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1740697271 YBVJNAWVVSDNBZ-UHFFFAOYSA-N 470.021 1.442 30 10 JDEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O 1740715840 GLJCTGZZQULCKI-MRXNPFEDSA-N 488.639 1.911 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)N1CCOCC1 1740942274 JEQHCNSLIJGCOU-HDICACEKSA-N 478.594 1.546 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1740953913 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C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCSC 1749129273 BYDDALAVEQJUHN-KURKYZTESA-N 473.665 1.782 30 10 JDEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1749358573 MMHHZNYLMQLYHQ-UHFFFAOYSA-N 472.575 1.977 30 10 JDEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1749553470 QNXLFXFVHLRGFG-OAQYLSRUSA-N 476.628 1.943 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1749680542 MFZNEQMWNHSCCI-QGZVFWFLSA-N 477.587 1.571 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1749683132 JWQWPZHCNGADOC-SOAGJPPSSA-N 473.622 1.249 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1749738723 VXEFIGMXOMYHRI-IBGZPJMESA-N 465.645 1.832 30 10 JDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1760135429 VTTWBBPKBVNBPY-GOSISDBHSA-N 488.639 1.668 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1760180446 FQQZXBRCBZSVNX-GHDARCQNSA-N 466.604 1.230 30 10 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1286800266 IWLQJPPHZALVQN-WBVHZDCISA-N 470.596 1.148 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccc2)CC1 1286821938 AQHOHEWHUDSYDO-KRWDZBQOSA-N 478.644 1.770 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1286824565 FGSGALLRFGOMTG-QGZVFWFLSA-N 455.581 1.788 30 10 JDEE C=CC[C@@]1(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 1293902269 BTBWJPJNVDWNQE-JPYJTQIMSA-N 450.580 1.382 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(OC)c1OC 1300269995 ABQKCPAFEGMFPN-KGLIPLIRSA-N 451.549 1.420 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Cc1ccc(OC)cc1 1300306899 AAWLMAQLVRVDFU-BBTUJRGHSA-N 475.615 1.956 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OC(F)F 1300312210 YCIDPNSBIQMFHZ-CRAIPNDOSA-N 483.541 1.913 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1300440977 CTWMUYSTJDSRRF-LJQANCHMSA-N 482.614 1.667 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(OC)cc1F)[C@@H]1CCS(=O)(=O)C1 1300485378 ZOPQMZJWHCFUCI-JPYJTQIMSA-N 492.573 1.753 30 10 JDEE C#CCN(c1nnc(CC)n1C[C@H](C(CC)CC)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300497777 DGISSZUTKZJQDK-VQTJNVASSA-N 451.637 1.604 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccnc(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1300501287 IQHOUWYKADTICZ-SFHVURJKSA-N 488.520 1.935 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(OC)CCC(C)CC2)CC1 1300682037 DLXLVAJGHXSFQP-IDYZSHNDSA-N 452.625 1.239 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCNC(=O)c2cccs2)CC1 1300719494 CYODLOCYHAQZCO-UHFFFAOYSA-N 451.556 1.731 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCC(F)(F)F 1300789518 OLBDUCNUZSDTBK-HXUWFJFHSA-N 498.531 1.866 30 10 JDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCSC2)C1 1300850145 WZNFHUFSTZJYIX-PBHICJAKSA-N 492.465 1.853 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC)C1 1300886647 ZWALHQJKLSRQDC-TVFCKZIOSA-N 451.593 1.124 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300895072 LYBAXXTWTFDLNE-BCCAQXGJSA-N 478.590 1.660 30 10 JDEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NC)CC1 1300971835 BITMJQSHQJMTDC-UHFFFAOYSA-N 475.981 1.916 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1301479099 SSRAPURQJWQBSX-HNNXBMFYSA-N 473.965 1.221 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301489796 CEBBDNYYIVTOJW-NVXWUHKLSA-N 492.374 1.678 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1301568803 KIUMIAYQAFKWRS-UHFFFAOYSA-N 452.669 1.997 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1301589400 RIFQCCBFJURZMY-KRWDZBQOSA-N 495.627 1.164 30 10 JDEE CC(C)N(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1303856751 FNLVSBOFAQOEGA-LJQANCHMSA-N 488.662 1.817 30 10 JDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1303940528 AZZZFEMWLOZWET-FTIBCMOBSA-N 465.620 1.876 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(C(N)=O)nc1 1358874691 ATTOPIHOTBMOCK-CQSZACIVSA-N 466.571 1.547 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2([S@@](C)=O)CC2)c1 1358900926 WDWTVEHZTCMQLG-MGBGTMOVSA-N 468.583 1.481 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1359029153 QDMITQPNYBZOPG-UHFFFAOYSA-N 490.543 1.558 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1359032392 MYCNEHBTZKKPNG-SFHVURJKSA-N 487.004 1.857 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1359039202 ZMDFNGSIPPYGMR-KNQAVFIVSA-N 455.559 1.672 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC2CCOCC2)CC1 1359090115 VEKORCDZVLLVPS-SFTDATJTSA-N 460.623 1.946 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1359100525 CPZAFPRHQLVAFQ-GBXCKJPGSA-N 467.618 1.892 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2ncccc2c1 1359281561 DIQQOBLEMZEIGT-NRFANRHFSA-N 486.598 1.846 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)[C@@H]2C)cc1 1359306855 SGWRIFXVNDTOFQ-CVEARBPZSA-N 462.576 1.168 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359335539 NYPSSQNZRKJPLL-LJQANCHMSA-N 493.611 1.343 30 10 JDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN[C@H](C)c3cccc(C#N)c3)CC2)cc1 1460746144 BKTSBPOJISSYSW-QGZVFWFLSA-N 454.552 1.945 30 10 JDEE CCC[C@](C)(O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C#N)C1 1499969482 DXJKOXZFJKFGCT-DHLKQENFSA-N 467.618 1.923 30 10 JDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CCOC1 1502728399 HRPHTTSNQFCXRY-ZFGGDYGUSA-N 470.574 1.970 30 10 JDEE CS(=O)(=O)CCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1505129710 CHKSHPYFJVIVSH-QGZVFWFLSA-N 462.551 1.554 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1cccc(OC)c1 1507535037 WYDCCXPLZHYHSS-OAHLLOKOSA-N 450.499 1.902 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCC(C)CC1 1507539971 YCTDIOAHXVOYHV-KQNFGGRRSA-N 453.609 1.664 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507623209 POPWEEWCJYXPMF-STQMWFEESA-N 485.554 1.104 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CCN1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1507628496 HUAMAWQNTJLIPI-OAQYLSRUSA-N 484.626 1.044 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1507630149 UJFAKOAKCMEXIH-SJORKVTESA-N 480.587 1.678 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1507633765 GXWHOCSQMMLYHD-WOJBJXKFSA-N 492.671 1.107 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)Nc1ccc(F)cc1 1507702725 NFOCVPVJGCKTOQ-UHFFFAOYSA-N 451.462 1.789 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@](C)(O)CCC)CC1 1507731884 RIZMCUYBCZPBQV-XMMPIXPASA-N 452.607 1.758 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(OC)CCOC2)CC1 1507733035 NDEBBPRNDSVNCJ-YADARESESA-N 474.606 1.911 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1507738753 XLOBYCICATYOGC-UHFFFAOYSA-N 484.626 1.810 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cn[nH]c2)CC1 1507740962 REXQVVCZENCOSF-UHFFFAOYSA-N 458.526 1.660 30 10 JDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1508042434 JVPBELQGLVPAHD-IXDOHACOSA-N 496.634 1.509 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1508058699 DCNWREFKSUILGO-JKSUJKDBSA-N 465.580 1.687 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1508071481 JVCKAUIAXCYLMK-SJLPKXTDSA-N 451.531 1.164 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCC(C)(C)C)CC1 1508131522 NMRLVTJZYXZPOH-UHFFFAOYSA-N 466.652 1.673 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCc1ccn(C)n1 1510213219 IDBVDQYLOIXZIT-SFHVURJKSA-N 497.629 1.058 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(C(=O)OC)CC2)CCO1 1517534162 CLHYVPKIQRYRQW-LJQANCHMSA-N 467.530 1.246 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C2CC2)N(C)C)CCO1 1517543445 FPAVEXWBWXLFSV-WOJBJXKFSA-N 453.547 1.020 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCO[C@@H]1C 1519129603 ATGZEEQOBJKGDB-IQGLISFBSA-N 491.552 1.990 30 10 JDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1539116278 LJCPDUDYYXFTLZ-IBGZPJMESA-N 490.612 1.642 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(-n2cncn2)nc1)[C@H]1CCS(=O)(=O)C1 1539203752 UNNLZTCTDHDMGS-KRWDZBQOSA-N 454.560 1.226 30 10 JDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1539705184 QVKBEHFOHFTDOD-SLFFLAALSA-N 450.653 1.751 30 10 JDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1)c1ccccc1 1539765947 LHHDMHYPVKPHDT-IBGZPJMESA-N 465.558 1.896 30 10 JDEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1539766979 HHFOZPZBVRZQDK-RTBURBONSA-N 464.613 1.907 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1539915841 DYBXFAOBMDZVQA-IBGZPJMESA-N 490.630 1.949 30 10 JDEE C=CCCCn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1540013726 DBDGKVGYOILPFF-KRWDZBQOSA-N 454.531 1.369 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1540873107 NCOHVIKONZFQEM-UHFFFAOYSA-N 457.604 1.959 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(F)ccc2F)CC1 1540873847 LYIYLEHLVMQXOK-UHFFFAOYSA-N 459.501 1.308 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1540904583 OAAAYHRVJFDZRG-GOSISDBHSA-N 462.576 1.580 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@H](C)C1 1540907259 QDLONKOQOYOIBQ-GASCZTMLSA-N 453.590 1.484 30 10 JDEE COc1cc(/C=C2/CCCc3ccccc3C2=O)ccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 1565537793 HEZAMMZGYSAMMH-VJWSKANJSA-N 456.491 1.477 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1588039954 GQGRLFOFDHAISB-HXUWFJFHSA-N 463.567 1.842 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)CN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1588050812 VIUHTOZWKCJDTN-PMACEKPBSA-N 473.647 1.174 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOc2ccccc21 1588233830 RXCZHUHDPNBQFU-DENIHFKCSA-N 483.594 1.640 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccc(F)cc1 1588646049 GMEOQQVOTMTOFJ-IIBYNOLFSA-N 450.536 1.313 30 10 JDEE C#CCN(CCOC)c1nnc(COc2ccc(Br)cc2)n1Cc1cnnn1C 1588694707 BYUZHBLIAPYCOH-UHFFFAOYSA-N 460.336 1.882 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1588752391 RLJJTAVXYCNBGC-DHLKQENFSA-N 474.650 1.431 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2([S@@](C)=O)CCC2)CC1 1588885069 SAONITZVXVWBSS-MGBGTMOVSA-N 476.647 1.464 30 10 JDEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1593711887 LGJZHVFJWJNACP-UHFFFAOYSA-N 458.563 1.420 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(COC)cc1)C1CC1 1595058576 PVUOARGJWFYESI-FQEVSTJZSA-N 461.588 1.961 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(Cn3cncn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1595602210 GPIBHBBIHWBUIP-QFIPXVFZSA-N 458.567 1.129 30 10 JDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(OC)CCOC2)CC1 1615328584 GIKUQRGDELCSEQ-VWLOTQADSA-N 481.601 1.613 30 10 JDEE CCOC(=O)CNC(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 1621945834 ABZAGRDEGPLLKI-UHFFFAOYSA-N 458.334 1.401 30 10 JDEE C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)CC1 1658100534 PHEXNOBENDQLNP-JOCHJYFZSA-N 458.609 1.307 30 10 JDEE C#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1 1659319353 PBHKKZFMSQVWGA-UHFFFAOYSA-N 450.538 1.380 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)CCC)CC1 1681036944 PDBRYYMXTAWLIS-IBGZPJMESA-N 456.012 1.518 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1690032750 IJMUROVAGAKHPE-MSOLQXFVSA-N 478.619 1.751 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1690100031 VCMMIAWULFBRBX-IHPCNDPISA-N 485.589 1.789 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CCS(=O)(=O)N1CCSCC1 1690193898 VMVFHWLKTIHMTE-YLJYHZDGSA-N 471.649 1.373 30 10 JDEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690287828 WCELPCHASMZWBF-UHFFFAOYSA-N 460.608 1.500 30 10 JDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(S(N)(=O)=O)cc1)C1CC1 1690536197 QCOFILZSHYMXCS-UHFFFAOYSA-N 467.555 1.970 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@H]1C)C(C)C 1690580904 IBPUUGHKGWEMNA-VAMGGRTRSA-N 478.663 1.546 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2([S@](C)=O)CC2)C1 1690688025 MUGHNSGCMUHJAS-UPTQXZAWSA-N 493.655 1.888 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OCC)cc2)C1 1690700888 ZFNAAOHDRDMOSL-LEWJYISDSA-N 491.614 1.839 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1690727154 VRWCWDMFKSTWIS-GOSISDBHSA-N 451.618 1.884 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c2c(c1)OCCO2 1705476440 AFURIQQKOGNSNU-OLZOCXBDSA-N 453.952 1.819 30 10 JDEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705520875 JLBRSBWQSWFAGH-UHFFFAOYSA-N 494.596 1.940 30 10 JDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCN(C(C)C)CC1 1705550169 CWAHLGXVBOAVEH-UHFFFAOYSA-N 459.620 1.543 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1705566183 LRQXOOYQLIRUFJ-MOPGFXCFSA-N 462.597 1.164 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC=C)cc1 1705613188 XAPMTJKLZMQQAY-HXUWFJFHSA-N 459.572 1.684 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1705655256 JFRYNEAWBGTTBB-KRWDZBQOSA-N 490.655 1.619 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1705725561 IJYYFKBOOOPDSC-LJQANCHMSA-N 480.635 1.416 30 10 JDEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705801460 FVWAKILNLTVAPX-OAHLLOKOSA-N 476.379 1.549 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1705830565 SGJNFDOBVHMSHI-RBUKOAKNSA-N 464.592 1.183 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1705891034 VRSGRGYYZTXPOK-HZPDHXFCSA-N 470.596 1.148 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1705936257 MOQAPJCUTWSVFF-RBUKOAKNSA-N 465.620 1.863 30 10 JDEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(=O)OC)C2)c1=O 1710192269 CXYNKYAWSPPEMI-LJQANCHMSA-N 462.510 1.958 30 10 JDEE CCOC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1710384308 BQHUWZSYKFBWAA-QGZVFWFLSA-N 467.578 1.706 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722359656 VLPYKPLGWHBSQR-MOPGFXCFSA-N 499.641 1.673 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1722360461 IAUAQKLRRLQDMW-IERDGZPVSA-N 457.581 1.936 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1722368597 TYHIEEXBEZCKMR-RBUKOAKNSA-N 459.572 1.029 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1722432117 SVETYQNLSATYJN-QZTJIDSGSA-N 476.603 1.120 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ncccc2F)CC1 1722440229 BADULUFSMKDIEQ-UHFFFAOYSA-N 469.521 1.093 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[C@@H]2COCCO2)CC1 1722443042 AMMSRMBCFRSAFO-HYBUGGRVSA-N 475.590 1.090 30 10 JDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1722549464 OSNULIDOHHBHEN-KBMXLJTQSA-N 495.993 1.614 30 10 JDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1722624607 FUBREJDEPZJCRG-UHFFFAOYSA-N 487.561 1.978 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722696210 FJXRTDRZSVKRCZ-CQSZACIVSA-N 469.937 1.433 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1722719527 VQCCYPVJPTVDQD-KZNAEPCWSA-N 489.589 1.318 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1722751748 TZCAORYTZLNXBH-NRFANRHFSA-N 470.599 1.719 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOCCN(C)C)C[C@@H]2C)CC1 1722800186 YWGJLZOOCVNRKK-GBXCKJPGSA-N 494.644 1.384 30 10 JDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1723645811 GLZKJMGKXGFMJE-QHCPKHFHSA-N 494.644 1.573 30 10 JDEE COC[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1730452948 FVSSZBVEFSUUGM-APWZRJJASA-N 462.576 1.402 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC[C@H]1C[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1740616076 RQUFXUVNIXNNOT-BRWVUGGUSA-N 460.535 1.690 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1740621381 WNHPXXIBHVAPLA-HOTGVXAUSA-N 450.492 1.285 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1740625023 LXUKFBZLGRGYKU-LEWJYISDSA-N 470.599 1.149 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)c(F)c1F 1740657835 ZLRAUSWQTXQATJ-SFHVURJKSA-N 495.527 1.734 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCOCC2)cc1 1740678333 JTHBLFQRZIPASY-UHFFFAOYSA-N 475.553 1.896 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nc3cccc(Cl)c3n2C)CC1 1740700590 DENLGIPUMJYEBW-UHFFFAOYSA-N 497.003 1.971 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2Cl)CC1 1740702213 JQTUKLFCSCTQRM-OAHLLOKOSA-N 479.006 1.556 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1740705174 CGRBMHOBZVQNRK-GOSISDBHSA-N 488.589 1.042 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2nc(C)no2)CC1 1740794615 DZFQHLRXMRQLMU-QGZVFWFLSA-N 450.565 1.848 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1740951018 AIBBAYSUZNSINJ-MAUKXSAKSA-N 462.576 1.541 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1740987913 OBQVDUGFROGDAJ-IAGOWNOFSA-N 497.643 1.410 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(F)cc1C(F)(F)F 1741943649 HLULQYQVFWPIRK-SMDDNHRTSA-N 476.456 1.823 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2F)CC1 1747441102 BKZHBBHGXUTYNK-UHFFFAOYSA-N 484.561 1.617 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1748805767 VSOJXIUXVGGVRG-CABCVRRESA-N 488.383 1.657 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(CC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1748821619 RVORIXDQVILHDH-SFHVURJKSA-N 463.604 1.234 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1748962447 HYDUHLNKZSOZKS-WOJBJXKFSA-N 487.626 1.801 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N2CCc3ccccc32)CC1 1749001358 QORACDGVKBEROK-LJQANCHMSA-N 477.613 1.833 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(C(F)(F)F)CC1 1749022557 KIKCQIQILXWZPN-GFCCVEGCSA-N 455.528 1.148 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1749252576 SKVCAJYBDOTGNH-JKSUJKDBSA-N 488.058 1.210 30 10 JDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1749303285 HCUNYAYUDMQKCP-JKSUJKDBSA-N 463.526 1.600 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1749732306 VGFHGVSACZZBET-ZWKOTPCHSA-N 488.614 1.554 30 10 JDEE C#CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1760182773 IVAOBTBGGJPRAL-KRWDZBQOSA-N 496.680 1.947 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1760189065 GJHCQVBUCHRBKZ-FQEVSTJZSA-N 470.599 1.293 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1760191735 MMMMEKFJSYUEEO-HXUWFJFHSA-N 468.583 1.882 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2COC)CC1 1760266097 PSCNZSGWRBFZBK-QGZVFWFLSA-N 488.614 1.049 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccoc2)CC1 1760266877 PTQLFPSWLKYCKD-UHFFFAOYSA-N 467.551 1.956 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2F)C1 1760274038 FSECELMVYRMUEN-CRAIPNDOSA-N 467.592 1.972 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc2c(c1)OCO2 1760338114 YAPLYGWLYCIGRU-FQEVSTJZSA-N 493.586 1.821 30 10 JDEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1760345297 RUDRBILXTFNFJC-SFHVURJKSA-N 451.531 1.592 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1760517118 CZRAWPTYDRMZON-INIZCTEOSA-N 468.558 1.760 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1760549752 LVZGPKRCBKREIF-UGKGYDQZSA-N 462.572 1.496 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(C)=O)CC1 1760553880 KRZTYODVIWYELN-UHFFFAOYSA-N 469.571 1.400 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCCC2)C1 1761544283 AFIXLBUVPMFHPV-GHTZIAJQSA-N 465.624 1.227 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOc2ccc(Cl)cn2)CCO1 1767725971 AUIHYFGWLNUHSO-LJQANCHMSA-N 497.943 1.807 30 10 JDEE COc1ccc2c(c1)nc(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)n2C 1768757445 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CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267182405 GFCUKBULAQKPRV-DZGCQCFKSA-N 450.345 1.083 30 10 JDEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267217270 FHEJBRMFWXYLCK-QWHCGFSZSA-N 467.401 1.195 30 10 JDEE C=C(CS(=O)(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O)B1OC(C)(C)C(C)(C)O1 2267469852 BGNOGVPSUGRGQD-GJZGRUSLSA-N 474.385 1.946 30 10 JDEE Cn1nc(C(=O)NC[C@@H]2COCCN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267550492 ZZCBMNOYJKVTFV-CQSZACIVSA-N 450.345 1.085 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267812559 CRPWUMGPJYOVMS-LBPRGKRZSA-N 452.313 1.012 30 10 JDEE Cc1nn(C)c(C(=O)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281985021 IYOVVPJGCCUIAF-JOCHJYFZSA-N 464.372 1.129 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282340273 DCIKPXRZJHGGQT-QAPCUYQASA-N 482.408 1.804 30 10 JDEE 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1.803 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1 1286799577 XHBWIKPTIYODMX-FQEVSTJZSA-N 473.599 1.852 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C(C)(F)F)cc1 1288869219 GZBODVCHRDFFMC-CZUORRHYSA-N 454.503 1.777 30 10 JDEE CC[C@@H](C)N(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1291773591 IBDSBQSZQMARHC-SJLPKXTDSA-N 453.613 1.081 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)[C@H]2c2c(C)nc3ccccn23)c1 1296512296 JPMWFAJPRZAYEN-OAQYLSRUSA-N 450.520 1.753 30 10 JDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@H](C)CN2CCN(CC)CC2)CCOC1 1296583842 HBVGLIRHSYQQKW-GBXCKJPGSA-N 459.639 1.944 30 10 JDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1299273497 CUAQEUHCHIUSCD-OAQYLSRUSA-N 466.590 1.635 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(N2CCOCC2)CC(OCC)C1 1300320248 FIXMHSATDKCFKV-BHWOZTKKSA-N 486.642 1.997 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1300482414 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C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1301515015 OSGOTTDQJRFNQO-TZIWHRDSSA-N 468.602 1.879 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1301588417 YURNVTXIPYCHCX-CQSZACIVSA-N 474.555 1.371 30 10 JDEE CCCNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1313480493 DCGUSQCJFAZFDX-LJQANCHMSA-N 464.574 1.734 30 10 JDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)CC1 1315753793 CLYTWPTWPVMABI-QFIPXVFZSA-N 456.572 1.416 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1353759660 IFQQCYGWFBXBQN-GOEBONIOSA-N 450.561 1.925 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCNS(=O)(=O)Cc1ccon1 1358896125 XOYDVJMKJJMUOA-QGZVFWFLSA-N 467.555 1.847 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(Br)cs1)[C@H]1CCS(=O)(=O)C1 1358961968 HQJFBTXRWNPCBR-DZGCQCFKSA-N 498.428 1.728 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358964821 HYAJCPUCOMSITR-TZIWHRDSSA-N 487.626 1.225 30 10 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475.351 1.970 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNC(=O)c2cccc(O)c2)C1 1359321370 FKQYHKPMFYFZIT-QUCCMNQESA-N 489.598 1.487 30 10 JDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC(=O)N[C@H](C)CC 1503108407 GBBAYSBJUJYXFD-SJORKVTESA-N 455.567 1.496 30 10 JDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)C1 1503872095 DQUTYOCZEJVCCB-PKOBYXMFSA-N 454.531 1.449 30 10 JDEE COc1ccc(CCc2nnc(N(C)[C@@H](C)CC#N)n2CC2(O)CCS(=O)(=O)CC2)cc1 1504217195 ABSHYVFSGRZKNE-KRWDZBQOSA-N 461.588 1.750 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCC(CCCO)CC3)n2CC2(C(N)=O)CCOCC2)cc1 1505318433 HYTICQWWHRYDAY-UHFFFAOYSA-N 482.585 2.000 30 10 JDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 1507625144 HFHZEAYMGXNUJW-QAPCUYQASA-N 468.526 1.955 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1507637350 AOCHLKVRIGRKOS-HXUWFJFHSA-N 470.599 1.363 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1507638157 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492.605 1.776 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(O)c1 1589070668 VYXXRSULHATYRX-IBGZPJMESA-N 495.627 1.328 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(N2CCOCC2)CCSC1 1589151464 ZRSHKXALYPMDNP-DUXKGJEZSA-N 482.676 1.088 30 10 JDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1589295407 GFACORYSBZPGMG-NWDGAFQWSA-N 489.362 1.870 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1589544917 KRFXKRBVECUXJX-JBPLPALLSA-N 460.623 1.800 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCN(CC)CC2)CC1 1594236781 ISACAXBZOPZNBC-HXUWFJFHSA-N 450.653 1.610 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(OC)CCOC1 1595162163 XYXYMWLZLLDTDY-RXVVDRJESA-N 497.643 1.671 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1595577051 HQJJIECIAHNXNW-UHFFFAOYSA-N 467.574 1.852 30 10 JDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)CC1 1595851144 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C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1690726707 JLBHIUHYAATGHW-GOSISDBHSA-N 478.644 1.826 30 10 JDEE N#C[C@]1(F)CCN(c2nnc(COc3ccccc3F)n2CCN2CCCS2(=O)=O)C1 1698486064 GIVBRLNXOUUQCN-LJQANCHMSA-N 452.487 1.474 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705568324 LCAIPQXFYZDQEA-HXUWFJFHSA-N 487.626 1.873 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1705570287 NXYJMJSIUBMJAY-NRFANRHFSA-N 450.568 1.837 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)NC(C)C 1705575505 MKTMPSSCOGQCOB-UHFFFAOYSA-N 453.366 1.436 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN(C)CC(F)(F)F 1705576893 SPCIHFAONRNZRA-UHFFFAOYSA-N 453.490 1.916 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@H]1C 1705597989 XSAJIMZIAMBXGK-AXHZCLLHSA-N 473.574 1.589 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC1 1705620574 XUANXFSTQBCYNV-UYAOXDASSA-N 477.562 1.426 30 10 JDEE 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Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2COCCN(C(=O)OC(C)(C)C)C2)n1 2282553473 RGNBKGYPRNKDHI-OAHLLOKOSA-N 464.372 1.333 30 10 JDEE CC(C)(C)OC(=O)NC1CCN(CCNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2282575839 IWYZPAWNLSUDEH-UHFFFAOYSA-N 463.388 1.428 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2282578968 YNQBTGJOMRSABK-JSGCOSHPSA-N 464.328 1.291 30 10 JDEE Cn1cc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1 2282588812 XDUFRODLYFTWPW-VQTJNVASSA-N 452.364 1.445 30 10 JDEE C[C@H]1C[C@H](CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN(C(=O)OC(C)(C)C)C1 2282684591 SVLBXRFYPZYTMC-LSDHHAIUSA-N 463.388 1.737 30 10 JDEE C[C@H]1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1NC(=O)C(F)(F)F 2282835268 RNIXBNRFJSGUSR-SWLSCSKDSA-N 477.314 1.458 30 10 JDEE Cc1nc(NC(=O)[C@@H]2CCOC[C@H]2NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2283935559 GKJBZQWMSFTUHQ-GDBMZVCRSA-N 462.356 1.953 30 10 JDEE CN1C[C@H](C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)CC1=O 2283961657 HQUYFKDGAGWWMX-OAHLLOKOSA-N 479.408 1.741 30 10 JDEE Cc1nc(NC(=O)C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2284019254 VNOBSTVSQJHVAC-QFIPXVFZSA-N 462.356 1.785 30 10 JDEE COCCSc1nnc(NC(=O)CSc2nnc(N/N=C/c3cnn(C(C)C)c3)n2N)s1 20921030 QSDKQRBUHLLENZ-NGYBGAFCSA-N 497.636 1.536 30 10 JDEE CCOC(=O)[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccc(OC)cc2OC)[C@@H](C#N)C(=O)N3)C1 72445681 DVYXPJLTKWUYTH-QBIMZIAESA-N 481.509 1.790 30 10 JDEE C[C@@H]1CN(C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)/C(=N\c2cccc(S(=O)(=O)N(C)C)c2)S1 102334662 LPQQBLVDMGYUBA-AKEOFWKYSA-N 490.607 1.840 30 10 JDEE C#CCN1C(=O)[C@@H]2[C@H](c3ccc(C(=O)OC)cc3)N[C@@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@@H]2C1=O 247849812 QWKBIEZDDKZUEA-AJGMTHFWSA-N 491.456 1.326 30 10 JDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)Nc3ccc4c(c3)OCO4)cc21 586362404 VMAMZTVOHFNGPF-YTTGMZPUSA-N 456.476 1.897 30 10 JDEE COCCn1cc(C=NNc2nnc(SCC(=O)Nc3ccc(OC)cc3OC)n2N)cn1 1083983336 GLRUJCSJNGTRLL-UHFFFAOYSA-N 475.535 1.029 30 10 JDEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 1140964563 OHQUDWNQFVVGER-VUCTXSBTSA-N 459.362 1.980 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CCCO2)CC1 1286350182 WVPQIGGEOZWKFP-RTBURBONSA-N 451.593 1.420 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1286388907 CQFMSIOKBQSONG-AABGKKOBSA-N 471.583 1.114 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc2c(c1)OCO2 1286397214 MVPSKJMFZIFBGO-MRXNPFEDSA-N 457.556 1.668 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1286471452 MVVXYMYGITUWTQ-HXUWFJFHSA-N 471.556 1.850 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCS(=O)(=O)Cc2ccccc2)CC1 1286486248 JTTAQACSLMRSPW-UHFFFAOYSA-N 457.600 1.982 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccn(CC)c2=O)CC1 1286492098 HAPPCELQAHBSCM-UHFFFAOYSA-N 476.585 1.335 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2Cc2cnnn2C)CC1 1286492371 JGAVXIYUMYZLOJ-UHFFFAOYSA-N 464.530 1.008 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@@H](C)OC)CC1 1286494401 NRSOPSLCBYRAJY-JOCHJYFZSA-N 493.656 1.644 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1286788128 QMNWPTAIHOXSBZ-LJQANCHMSA-N 481.605 1.249 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccccc1N1CCOCC1 1286790190 JTWJRYLNQWGHMS-UHFFFAOYSA-N 478.601 1.915 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286790560 UOAVSNSRBIHLAS-UHFFFAOYSA-N 452.606 1.141 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCNS(C)(=O)=O)C1 1286802349 AOYNYDKMBRWUHM-CQSZACIVSA-N 473.397 1.377 30 10 JDEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1300483941 PNUOQOGZZZPBJH-RDJZCZTQSA-N 475.640 1.894 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC1CCCC1)[C@H]1CCS(=O)(=O)C1 1300495468 HZGUMTDDTGXGLR-OALUTQOASA-N 468.645 1.777 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1300499755 WNKMWUMARXQRFR-FPOVZHCZSA-N 456.616 1.623 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1300499933 ZQWCYHLQIUXOIN-HGCBZUSOSA-N 476.574 1.565 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccnc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1300500726 CNIYNKCWBZBENH-INIZCTEOSA-N 496.515 1.489 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1300502863 YSXMUPZQJBWAAC-MRXNPFEDSA-N 476.628 1.289 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1300531893 ITUGTQRALCLGGT-KRWDZBQOSA-N 459.510 1.162 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1300590808 FUEUCFSLENLBRU-UHFFFAOYSA-N 460.531 1.399 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(CSC)c2)CC1 1300684241 YNNYKASYRROPQW-QGZVFWFLSA-N 462.645 1.555 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCCO2 1301425686 XJABSGOFOWHZSW-HXUWFJFHSA-N 493.586 1.069 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1301499586 CJMBURLQAQNNGK-SFHVURJKSA-N 484.582 1.402 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1301585242 IZPKOZVGIMUSAG-OWCLPIDISA-N 482.607 1.179 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCN(CC)C(=O)C1 1301595794 AEDSGSWQNJCUJN-IEBWSBKVSA-N 467.636 1.856 30 10 JDEE CC(C)OC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CCO1 1303533442 HBUSDLCCDIHUAB-NHCUHLMSSA-N 488.614 1.871 30 10 JDEE CO[C@]1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC=C(c3ccc(C#N)cc3)CC2)CCOC1 1315267438 AMDLTUJDGDICID-HXOBKFHXSA-N 486.598 1.859 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(CCC(C)C)CC1 1358889952 JKEHLKYOHDRHQY-CTNGQTDRSA-N 480.679 1.827 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1358958177 JCMXAQRTGJGBJD-JPYJTQIMSA-N 490.582 1.395 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1358966169 JCNPRUZKOVCZQH-HYBUGGRVSA-N 488.610 1.906 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCNC(=O)C(C)(C)C)CC1 1359031104 PZVWVXGWQBPSCR-UHFFFAOYSA-N 462.396 1.953 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1359047310 AOHNTADVSTZRCS-HXUWFJFHSA-N 496.612 1.552 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1359060080 JQNXGSACTDCNRZ-UHFFFAOYSA-N 450.572 1.360 30 10 JDEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359310235 QXBRONYWRZVQCZ-SFHVURJKSA-N 452.559 1.627 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC(=O)N(c3ccccc3)C2)C1 1359313789 RICOWJYVTAMHIA-NLWGTHIKSA-N 488.614 1.723 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1359334346 BSFQIVKOAVVLEC-OAQYLSRUSA-N 492.690 1.950 30 10 JDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](O)c1ccccc1Br 1451407227 ATRBAEYQCKLJOL-YVEFUNNKSA-N 452.330 1.837 30 10 JDEE CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1F 1463072250 BBRARKDRXUCUDO-MRXNPFEDSA-N 452.533 1.596 30 10 JDEE C#CCN(C(=O)Nc1cc(S(=O)(=O)N(CC)CC)cc(C)c1C)[C@@H]1CCS(=O)(=O)C1 1464963081 BMUKAORXSZIGCI-QGZVFWFLSA-N 455.602 1.988 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCCO2)n1CC(=O)NCC(F)F 1494135779 HIRPLYYFVGZNRC-GDBMZVCRSA-N 475.504 1.278 30 10 JDEE CCN(CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@](C)(C#N)C1)S(C)(=O)=O 1502179414 GSOFAOJZWUICEN-OAQYLSRUSA-N 474.591 1.727 30 10 JDEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 1502339791 BZEVCZBSHNXXMG-KNQAVFIVSA-N 480.617 1.042 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1502372096 BHBBAMDVWVZQJT-KRWDZBQOSA-N 489.602 1.086 30 10 JDEE CN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)C(=O)OC(C)(C)C 1503610308 FPJQTEORPORPBR-INIZCTEOSA-N 452.581 1.787 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1507562931 BIYKQVFLQLQVJF-QUCCMNQESA-N 475.619 1.662 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507631501 QDCQZJWYERIUOI-GOSISDBHSA-N 491.618 1.562 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCCSC)[C@@H]1CCS(=O)(=O)C1 1507640555 SXPBOXQBHSDXPT-GOSISDBHSA-N 450.634 1.910 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)C(C)(C)C 1507645199 XLLBZTMAANEHLN-UHFFFAOYSA-N 452.544 1.207 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1507679850 RWHPPFVSZMWQPW-QUCCMNQESA-N 460.604 1.249 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1F 1507690069 PFWBSALKQODITN-GOSISDBHSA-N 451.524 1.267 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)N2CCN(CC)CC2)CC1 1507722736 GVIWBLZTDCMCFH-NRFANRHFSA-N 481.645 1.744 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1508080006 HDHHPCLNESNUEV-UHFFFAOYSA-N 483.598 1.837 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1508080888 FOVHJEJMKJDTCH-IBGZPJMESA-N 453.591 1.592 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1508081265 IQCJIMKKGYRXRN-UHFFFAOYSA-N 480.548 1.766 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1508089462 FMXNMJJJEFKGEL-HZPDHXFCSA-N 464.617 1.631 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[C@@H]2N2CCCS2(=O)=O)C1 1508110261 SINNJNIRWJWQJH-OTWHNJEPSA-N 480.635 1.402 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1508144199 RQYOGTRAMPDHSR-GOSISDBHSA-N 450.609 1.414 30 10 JDEE CC(C)CN1CCO[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)C1 1509432382 HEVLPERXOKTVJM-OAQYLSRUSA-N 451.575 1.875 30 10 JDEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539133106 DYDALWPGZFASPG-IBGZPJMESA-N 464.570 1.849 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1539210486 CDAONSZGYZBWTN-OAHLLOKOSA-N 495.399 1.868 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](OC)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1539222681 XCHITVGPPMRAJI-RLLQIKCJSA-N 462.547 1.936 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC1(O)CCS(=O)(=O)CC1 1539384747 NRIKMDZLWOVIIF-UHFFFAOYSA-N 477.562 1.135 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CC[C@]3(CCOC3)O2)CC1 1539468930 KCFBSZBQOKYRRU-MFSJNOQSSA-N 475.590 1.306 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1539606510 HDXFTRWPRXHYKN-HNNXBMFYSA-N 480.411 1.098 30 10 JDEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(=O)(=O)CC)CC1)c1ccccc1 1539766560 AHNOFOVDBLLHFB-LJQANCHMSA-N 493.655 1.802 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1540872192 GLXUITGNYXYUBI-UHFFFAOYSA-N 464.567 1.170 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1540873171 PMHQAPJERNXKEF-UHFFFAOYSA-N 461.574 1.806 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](NC(=O)CC)C1 1540899934 FNJMOMIDPPKIPM-QGZVFWFLSA-N 475.571 1.770 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1540906887 FVTMVKOUFXEIED-QFIPXVFZSA-N 475.571 1.797 30 10 JDEE C=CCSCCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540922293 JYSCFFJLNKBZLP-QHCPKHFHSA-N 494.662 1.812 30 10 JDEE C=CC[C@H](CO)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1546310864 SPBJLKNTUUZBJG-INIZCTEOSA-N 457.980 1.254 30 10 JDEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1547417688 FOLWTRPOLVOUDK-HXUWFJFHSA-N 453.547 1.816 30 10 JDEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CCOC1 1547863886 BRPXZINAGQNCIA-KNQAVFIVSA-N 459.572 1.873 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCOc2cccc(Cl)c2)C1 1555812305 CVCBSEXBUHQALS-MSOLQXFVSA-N 496.977 1.072 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1587683326 HQOJZJFPTYPPTQ-GOSISDBHSA-N 472.615 1.913 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1587765005 AFTXMFPOHYRYFF-MOPGFXCFSA-N 481.619 1.189 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1OC)[C@@H]1CCS(=O)(=O)C1 1588024620 HZRGANCWFNRULS-LJQANCHMSA-N 471.583 1.506 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(CC)CC)cc1 1588233109 AYEMLQOQJXIDIV-QHCPKHFHSA-N 498.653 1.968 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NC(C)C 1588233484 JFMIFYZAWIAVIZ-GOSISDBHSA-N 458.563 1.574 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(Br)n2)CC1 1588733110 NPFCFOBXZBBGQL-UHFFFAOYSA-N 481.358 1.886 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CCOC[C@H]2C)CC1 1588872186 YESAMMITCCZXOB-JOCHJYFZSA-N 452.603 1.950 30 10 JDEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1)c1ccccc1 1594535527 SAJKPCQYJMKMJB-FQEVSTJZSA-N 492.588 1.112 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1595497042 OIOGTCDXZZQHIC-MLGOLLRUSA-N 496.337 1.509 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1595594583 NAHDHGJNUKLESW-HXUWFJFHSA-N 471.581 1.515 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1595812445 UJAXZJGAFZJEIV-UHFFFAOYSA-N 494.621 1.756 30 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461.535 1.132 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)cc2C)CC1 1690124367 KBRQZCRSTYFVTL-NRFANRHFSA-N 472.615 1.031 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(OCC(N)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690255963 ZEVHGEDRNDTCPI-NSXLHWASSA-N 477.606 1.771 30 10 JDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1690463170 XEBHMSRLKIZVQK-QZTJIDSGSA-N 466.608 1.216 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCc2ccccc21 1691003231 DYPGWHXHYWVSES-POAQFYNOSA-N 458.588 1.937 30 10 JDEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1 1693874580 FQCNUPMXVKUTSD-GZRFBZBPSA-N 478.347 1.888 30 10 JDEE CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1694303267 DJGIYVKUQAAYRQ-UHFFFAOYSA-N 480.617 1.869 30 10 JDEE COC1(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1697221500 HYBWNNTWUASTIG-PXNSSMCTSA-N 466.608 1.700 30 10 JDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705519977 DMLMFXZKEJFOHC-UHFFFAOYSA-N 499.645 1.496 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1705562863 LUJTYKLXSATCDV-MJGOQNOKSA-N 472.567 1.934 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1705570218 LSSOJRWPKPRIKB-ICSRJNTNSA-N 458.584 1.931 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2CCN(C(=O)OC)CC2)CC1 1705648178 PSMFUWASDDCPMO-LJQANCHMSA-N 458.563 1.226 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CCOC2)CC1 1705651189 NBPVLVKMORYWCD-QHCPKHFHSA-N 473.961 1.628 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)N(C)C 1705716546 OAXKTZZVSLUHHH-KRWDZBQOSA-N 486.639 1.880 30 10 JDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1705725502 FATCNEMNCIQBGS-OAHLLOKOSA-N 465.526 1.997 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(=O)C2CC2)CC1 1705792747 ZEVYYRYWHSPXDW-IBGZPJMESA-N 494.662 1.662 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1cccc(OC)c1 1705843878 PZNWOQPNIBQGQR-LPHOPBHVSA-N 465.576 1.709 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705909172 PLVGOUOBWWBTPU-ZIFCJYIRSA-N 484.605 1.528 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)C)CC1 1705938245 RYJFNNDMGLZSFA-UHFFFAOYSA-N 466.633 1.401 30 10 JDEE C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)N(C)C 1706808372 GDZYHRSRNGTCSH-FQEVSTJZSA-N 464.618 1.935 30 10 JDEE CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1709969810 HBRSIEGTPMHHNQ-RADWXHQJSA-N 475.571 1.282 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OC)nc2OC)CC1 1710329858 HDUIZXUEEQZAQR-UHFFFAOYSA-N 490.568 1.535 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCOC2)c1 1722308717 DYHMJPDBYRDCKK-MSOLQXFVSA-N 457.556 1.273 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2ccnn2C)C1 1722332548 MLYBDYOGBXBJGH-PKOBYXMFSA-N 461.592 1.142 30 10 JDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1722344679 RRXHPFQBYRELEQ-DEOSSOPVSA-N 452.559 1.348 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1722363999 DJJIOTHQOBMUAG-LJQANCHMSA-N 487.626 1.667 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)Nc1c(C)cccc1C 1722397565 RUDMYFPKXMFLNH-FQEVSTJZSA-N 498.609 1.329 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCSc2ccc(C)cc2)CC1 1722431551 QTWOEHFMUJBRKA-SFHVURJKSA-N 462.645 1.744 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCCN2CCC(O)CC2)CC1 1722440480 ADBVXXZLXMBDLM-UHFFFAOYSA-N 456.566 1.598 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(C)n2)C1 1722719459 UNDIFVFESILIEN-PMACEKPBSA-N 476.603 1.338 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CCc2ccn(C)n2)c1 1740561303 ALPNWCUIVOMHTK-VWLOTQADSA-N 477.569 1.963 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2c(C)nn(C)c2C)c1 1740562746 NTJKEVAWOLRVHO-UHFFFAOYSA-N 462.558 1.871 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1740615473 FJZVYPCXDBIOND-SFHVURJKSA-N 475.546 1.359 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1740620621 FQEGXQQSXGDVQM-YWZLYKJASA-N 450.561 1.579 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740622339 XKPWFJDLFZOHRZ-ROUUACIJSA-N 478.018 1.946 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)C(=O)NC 1740633149 XFUMSEZFECOAKM-UHFFFAOYSA-N 455.588 1.392 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1Cc1nncn1C 1740680497 DSAQIWKYMIXWHP-UHFFFAOYSA-N 460.336 1.979 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740757611 WOXDFSWLCYSMDH-UIFIKXQLSA-N 471.558 1.895 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-c2nc[nH]n2)cc1 1740773929 HQFWSAMFYKBZSO-IBGZPJMESA-N 486.602 1.847 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1740782631 JRDLFRZKWLDMPD-SFHVURJKSA-N 497.568 1.953 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OCCOC)cc2)CC1 1740825968 VQVGGPWAQCACLJ-OAQYLSRUSA-N 491.614 1.841 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(Cl)ccc1OC 1740960257 ODAMINJCHIFAJZ-AWEZNQCLSA-N 467.979 1.781 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1740983193 DBKGNDUTAZNKIW-HXUWFJFHSA-N 476.599 1.887 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C1 1741030864 GMPJWIWUGQFXOE-NRFANRHFSA-N 482.585 1.965 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CCS(=O)(=O)CC1 1741123791 AZGXUGNYCWOZMA-LBPRGKRZSA-N 471.381 1.571 30 10 JDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1741698729 DULQAYWEATTYBS-KRWDZBQOSA-N 464.574 1.130 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCNC(=O)c2cc[nH]n2)c1 1748692245 FCHLGOJGKCBHAP-FQEVSTJZSA-N 476.541 1.729 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1CCCCN1CCC[C@H]1CO)[C@H]1CCS(=O)(=O)C1 1748814652 IGRJZAXTNMKRCT-SFTDATJTSA-N 463.648 1.799 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](OC)C(F)(F)F 1748929087 CNHNGTQEQOEPPE-KBPBESRZSA-N 453.487 1.038 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1748960578 LMAVVYLJALAUPQ-BVZFJXPGSA-N 480.569 1.862 30 10 JDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749032504 JRKCCTNNCVHTHP-UHFFFAOYSA-N 455.588 1.188 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCO[C@@H](C)C1 1749067103 POQVKRRLGGLSSY-MIZPHKNDSA-N 494.662 1.104 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1749130263 KAMHDDNELQJNRB-MKXGPGLRSA-N 481.619 1.876 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1749193761 PIPIPWYLFVLOJT-ROUUACIJSA-N 468.624 1.320 30 10 JDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1749199592 UZXCMBPARICIFP-PMACEKPBSA-N 457.623 1.794 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)OC)CC1 1749669524 INWSAYIAJOJBRP-KRWDZBQOSA-N 491.593 1.583 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749680830 SFAQHMRLJROIMH-SFHVURJKSA-N 458.588 1.522 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1749734256 HEZJHCHEDHEPJC-GOSISDBHSA-N 494.662 1.984 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1760178801 AXFZUWUWQRYQBK-GOSISDBHSA-N 492.001 1.873 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1760181513 WOAJNFPJIXFWEC-GJZGRUSLSA-N 486.392 1.324 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1760223450 FVXDOLYERWSFKX-UHFFFAOYSA-N 467.551 1.131 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCCCS2(=O)=O)CC1 1760263769 OBZCIHPXDGDJAR-XUVXKRRUSA-N 463.648 1.919 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCN(C)[C@H](C)CC)CC1 1760267164 HZKLCRDGCIEGOX-LJQANCHMSA-N 490.616 1.617 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2nccc(C(F)F)n2)CC1 1760268405 JHDXEYHYCFQHRN-UHFFFAOYSA-N 453.457 1.477 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N1CCOCC1 1760295629 UDEZAODHUBDJKG-MHECFPHRSA-N 488.589 1.437 30 10 JDEE C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1760506416 QUIAWSGDTRBXAD-FQEVSTJZSA-N 452.559 1.513 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1760522391 RYFITOFIDAMDJF-JKSUJKDBSA-N 492.568 1.193 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760524983 PSVGTKHGXZVOBS-UHFFFAOYSA-N 478.532 1.131 30 10 JDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@H](C(F)(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1760528600 HMNKZBKEBNTQTE-DOXZYTNZSA-N 461.485 1.777 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCS(=O)(=O)NC(C)C)C1 1760538258 WMCPNURMAVIAKD-SFHVURJKSA-N 477.587 1.825 30 10 JDEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)N1CCOCC1 1760871983 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Cc1nn(C)c(C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)c1B1OC(C)(C)C(C)(C)O1 2281977700 SUYMBUADHRPFCY-ZDUSSCGKSA-N 458.290 1.701 30 10 JDEE CC(C)(C)OC(=O)N1CCN([S@@](C)(=O)=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2281988763 QLNKCHVKLAQMKN-XIFFEERXSA-N 483.400 1.415 30 10 JDEE Cc1c(C(=O)NCCOCCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281990777 REXPVBOHWXRJSN-UHFFFAOYSA-N 466.388 1.689 30 10 JDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCO1 2282016193 UWOWHAIJMHQHBA-GDBMZVCRSA-N 462.356 1.530 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)[C@@H]2COC[C@@H]21 2282092819 UMDIGWITIKVBBO-BQFCYCMXSA-N 461.368 1.688 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H]2COC[C@H]12 2282190338 PRFHTLSCILLOIG-KZNAEPCWSA-N 459.352 1.745 30 10 JDEE CC[C@H](CN(CC)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2282307368 AXDBRMYTONRCNY-CQSZACIVSA-N 487.432 1.428 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 2282316085 XNKDJTCNBRMXKN-JOCHJYFZSA-N 475.424 1.447 30 10 JDEE COCCN(CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C)C(=O)OC(C)(C)C 2282586232 WHXRNXRZMAZBPO-UHFFFAOYSA-N 466.388 1.641 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(NC(=O)OC(C)(C)C)CCOC1 2282589129 YQNYXTJOOPMKHX-JOCHJYFZSA-N 464.372 1.441 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@@H](O)C1 2282864218 CPWLJCQPWKJIDL-ROUUACIJSA-N 482.408 1.634 30 10 JDEE C=C(CS(=O)(=O)N1CC(CN2CCN(C(=O)OC(C)(C)C)CC2)C1)B1OC(C)(C)C(C)(C)O1 2282876749 IFPFZXNFMDPXQW-UHFFFAOYSA-N 485.456 1.988 30 10 JDEE Cc1nc(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)ncc1B1OC(C)(C)C(C)(C)O1 2284011743 PMPPBLBKSMIEHD-ZBFHGGJFSA-N 462.356 1.641 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2313849075 JOGCXKLDUPMDQU-LXTVHRRPSA-N 458.386 1.475 30 10 JDEE COc1ccc(OC[C@H](O)Cn2c(NN=Cc3cccc(O)c3)nc3c2c(O)nc(=O)n3C)cc1 2327751559 BONVBQYQIUOEBR-MRXNPFEDSA-N 480.481 1.436 30 10 JDEE COc1ccc(C=NNc2nc3c(c(O)nc(=O)n3C)n2C[C@H](O)COc2ccccc2)cc1OC 2328613645 KYGRKIOZFRQQBB-INIZCTEOSA-N 494.508 1.739 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2359392316 ICRSUCAMIOIGCE-BRWVUGGUSA-N 482.770 1.919 30 10 JDEE COc1ccc([C@@H]2/C(=C(/O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCN2CCOCC2)cc1 102740803 QQHMAGCMWOMHHV-SADKCHQCSA-N 454.527 1.799 30 10 JDEE COc1ccc([C@H]2/C(=C(/O)c3cnc(C)nc3C)C(=O)C(=O)N2CCN2CCOCC2)cc1 102754421 IZKKFNFKGMBWGK-AGGMBTAESA-N 452.511 1.856 30 10 JDEE N#Cc1cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)ccc1F 488938691 GIYFQUBONCHYOS-UHFFFAOYSA-N 466.491 1.793 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccccc2-c2ccc(Cn3cncn3)cc2)C1=O 517079998 IFRUFWNWNQLJHX-UHFFFAOYSA-N 458.478 1.586 30 10 JDEE C#CCN(C(=O)CSc1nnc(-c2ccccc2)n1[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 729335296 LLGFRZQTIYEGKD-WMZOPIPTSA-N 462.597 1.894 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccc(Cl)cc3)c2)c(=O)n1C[C@@H]1CCCO1 917768014 IQMOITBTLPHTMC-IBGZPJMESA-N 495.992 1.733 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)c1 1149249051 DOSOKUBADXJMTG-FQEVSTJZSA-N 457.508 1.151 30 10 JDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN(CCN2CCOCC2)Cc2ccco2)CC1 1171168159 AIOSBDMNJVRFDQ-NRFANRHFSA-N 457.600 1.884 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)cc1OC 1286296757 RENITIVZNMZHLQ-OXJNMPFZSA-N 477.587 1.329 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2Cc2nncn2CC)c1 1286311261 FXFCZFVCRVNQQI-AVRDEDQJSA-N 478.557 1.718 30 10 JDEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCOCCN(C)C)[C@H]1CCS(=O)(=O)C1 1286384529 RGOXNHAIZQQYCR-IBGZPJMESA-N 471.583 1.896 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1286391391 DCXTWNIWLHQBJY-HNNXBMFYSA-N 465.526 1.252 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286393090 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NPVQEIINXUQSAK-UHFFFAOYSA-N 499.659 1.053 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N1CCNC(=O)CC1 1286815671 YQFTWTZRCOPJIC-UHFFFAOYSA-N 474.406 1.696 30 10 JDEE CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCS(C)(=O)=O)C2)CC1 1296178683 BYNZCLWWKWBFHJ-OAQYLSRUSA-N 471.631 1.468 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1296287528 AXJIADYIHBRDNW-HSZRJFAPSA-N 494.644 1.432 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)c2cc(C)n(Cc3ccc(S(N)(=O)=O)cc3)c2C)CC1 1296946106 CCFQTBJLADQLNE-UHFFFAOYSA-N 456.568 1.402 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H](C)N2CCOCC2)c1 1300334424 LVTYPKJLZLFKAO-AZUAARDMSA-N 452.559 1.559 30 10 JDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1300338868 IOYIHITVOOEGHZ-FQEVSTJZSA-N 450.591 1.945 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1300411915 OZZKUTMQGNVCJR-KRWDZBQOSA-N 482.607 1.082 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnc2n1CCCCC2 1300441754 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CSEQVDVMLMJMMJ-LJQANCHMSA-N 483.635 1.743 30 10 JDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1301421508 XVALKEMQAIHIJS-QGZVFWFLSA-N 477.587 1.637 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@]3(CCOC3)C2)cc1 1301517630 BUQVHKMIVMUGHC-HTAPYJJXSA-N 477.587 1.497 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)NCC)CC2)cc1 1301527140 VLCNTOMIGQHSDM-IBGZPJMESA-N 488.614 1.645 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1301609620 MFCZDZAXQTYCIV-ROUUACIJSA-N 461.636 1.281 30 10 JDEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)N(C)C)C[C@@H]2C)CC1 1301708244 KDPWBLCMCFBMNX-PGRDOPGGSA-N 478.601 1.284 30 10 JDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1302495129 FFNNCKVLDHJPGR-UHFFFAOYSA-N 457.482 1.050 30 10 JDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1314635983 BOKPVGAFVUCIDQ-FQEVSTJZSA-N 464.530 1.309 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1nccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1358954933 AVDZOWHYSOTDTN-CQSZACIVSA-N 499.519 1.095 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ccc(C)n(C)c2=O)CC1 1359032988 LPMKMNFKZJTLJE-UHFFFAOYSA-N 462.554 1.773 30 10 JDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@](C)(O)CCOC)CC1 1359034601 XFCGMYFVOAAANM-HSZRJFAPSA-N 451.531 1.137 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC(F)(F)CO2)CC1 1359040199 LKGPHQAJZXUSLK-INIZCTEOSA-N 473.484 1.315 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1359044113 VWEJACLJASEJMF-HSZRJFAPSA-N 479.629 1.971 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H](OCC)C(C)C)CC1 1359045923 YGTNICUSGJRRME-UXHICEINSA-N 479.647 1.597 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(COC)CC1 1359132968 ITEZDTLPEXQZFT-GOSISDBHSA-N 457.597 1.067 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(-n2cccn2)c1 1359281498 CBUAXZNORHJOLQ-SFHVURJKSA-N 457.560 1.448 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCOC(C)C)CC1 1359298685 IUUFZYCSUXRYGY-UHFFFAOYSA-N 480.573 1.443 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1359299565 IGQIHULUWQUWSJ-SFHVURJKSA-N 455.563 1.942 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2OCC)CC1 1359303889 DOSQSJIFPJSSKI-UHFFFAOYSA-N 467.574 1.428 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(NC(C)=O)c2)C1 1359322501 WYBYEZOZKCWQPD-ICSRJNTNSA-N 459.572 1.968 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1359326796 JYMWRVWBVDFDOC-LNLFQRSKSA-N 497.643 1.456 30 10 JDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1359338382 UJAICLHAWHPYAG-IEBWSBKVSA-N 490.655 1.829 30 10 JDEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1359340691 VVTAVTFSPDZJIK-KRWDZBQOSA-N 466.633 1.823 30 10 JDEE Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)c(=O)n1C 1361272099 CMXMWDKFLVBVNI-IBGZPJMESA-N 495.609 1.638 30 10 JDEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C)S(C)(=O)=O 1502179400 GCXNQGKOWOQGCB-INIZCTEOSA-N 459.576 1.155 30 10 JDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOCC1(C)C 1503244524 GBKSZENTNQDGHN-UHFFFAOYSA-N 460.604 1.798 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1503281796 GEUDVQMTCTUYRJ-GOSISDBHSA-N 468.587 1.559 30 10 JDEE CNC(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1503810126 CIDQADBROBVJDN-UHFFFAOYSA-N 463.546 1.330 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1507572475 KTRVYRWKAGVJAM-UHFFFAOYSA-N 463.586 1.961 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1507625321 ICABLCRMNGMUHB-GBXCKJPGSA-N 493.674 1.820 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)[C@@H](C)[C@@H](C)O2 1507653074 LHQJWFJWUMRTDO-SVMVAKDDSA-N 483.594 1.617 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCS(=O)(=O)NC)CC1 1507718666 GBDJSPXEORGYRZ-UHFFFAOYSA-N 481.626 1.657 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)NCc2ccco2)CC1 1507732093 BWOOYAYPBQUADN-TZIWHRDSSA-N 454.575 1.861 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C[C@H]1CCOC1)C1CC1 1507783799 DYSFSBAGAHRSIK-ZBFHGGJFSA-N 490.424 1.525 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCOCC1 1507998257 DKMGTIZSUFLDBO-OAQYLSRUSA-N 498.609 1.493 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1n[nH]c(C)n1 1508008521 PDVLCOYADRXUCT-QGZVFWFLSA-N 492.631 1.534 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COCCO1 1508040515 XXHQXUAIKGYJOC-QZTJIDSGSA-N 467.567 1.641 30 10 JDEE CN(C)CCN1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1517013998 DEDJXCVOBFINHB-NZQKXSOJSA-N 477.679 1.584 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)cc(F)cc2C1 1539124428 GKGLJZVSWJARQE-LJQANCHMSA-N 465.526 1.865 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539221060 NHBDISSUAIQDCM-OTWHNJEPSA-N 492.623 1.274 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(O)CCN(C)C2)CC1 1539474731 XPTZLUDQCAKDTH-HSZRJFAPSA-N 474.968 1.770 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1539484216 HNIQKQHGLKNDDD-OYRHEFFESA-N 479.629 1.729 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1539706196 BNHNUUNZWKCDMK-MOPGFXCFSA-N 465.551 1.904 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1540867068 JPMAGTUGAITWAM-GOSISDBHSA-N 478.557 1.654 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1540880849 RQNBOFMBJFKIDC-PXNSSMCTSA-N 474.587 1.962 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1540897551 MAZCZZJZCOQWPH-SJORKVTESA-N 461.592 1.445 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1540907129 MCBJOKGFCKRBRJ-AZUAARDMSA-N 473.599 1.557 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(COC)c1)[C@H]1CCS(=O)(=O)C1 1588034823 MDAZVIKIMNSKGR-URXFXBBRSA-N 488.610 1.752 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1588064604 LIKMANRRUZGVKK-SFTDATJTSA-N 471.627 1.989 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588070287 YADMURIPSOGODZ-GOSISDBHSA-N 491.589 1.928 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C)cc(C)c1 1588233691 OOADJNBXVBJRJH-JOCHJYFZSA-N 469.611 1.933 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(=O)(=O)NC 1589600192 XZLTZIMSKHPKBS-UHFFFAOYSA-N 469.637 1.498 30 10 JDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 1593799672 AHKSSYZFEJKWRJ-OAHLLOKOSA-N 466.974 1.972 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1594454070 BJHRPOPMPJYWPR-IIBYNOLFSA-N 465.624 1.976 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1595497166 RWEADXBSULSDOP-CVDCTZTESA-N 495.628 1.635 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1595545612 ZLYPSTOGSSEJGG-AEFFLSMTSA-N 456.551 1.220 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1595577505 VELDVUMNIPHNSY-UHFFFAOYSA-N 482.566 1.979 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1595823964 UNFSBSKYDNRUON-PKOBYXMFSA-N 459.572 1.481 30 10 JDEE COCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3ccc(C#N)cn3)CC2)CC1 1619782491 AVRIVAQVFVZATP-QGZVFWFLSA-N 488.618 1.298 30 10 JDEE C=CCn1c(S)nc2cc(C(=O)N3CCc4ccc(S(=O)(=O)NC)cc43)ccc2c1=O 1620838227 JBHHXLYNKHWESG-UHFFFAOYSA-N 456.549 1.982 30 10 JDEE C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1631124321 CBSQFKJUCDBBJW-WMZOPIPTSA-N 457.962 1.720 30 10 JDEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N[C@@H](CO)C(N)=O)ccc1Cl 1635217479 RKQUCGAHWAXXEA-INIZCTEOSA-N 455.895 1.436 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCCO2)cc1 1640580897 KMCFAXNRZOOASS-QGZVFWFLSA-N 451.545 1.354 30 10 JDEE C#CCNS(=O)(=O)N1CCN(CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)CC1 1653161042 UZVWETPVISRTRH-QHCPKHFHSA-N 452.580 1.246 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)c1ccccc1 1689852438 FHJCTWHTWBARLY-IAGOWNOFSA-N 450.586 1.502 30 10 JDEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)CCNS(C)(=O)=O 1689878856 XHHUMQMJLBRDNP-UHFFFAOYSA-N 457.398 1.835 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1689983542 CVANMOOTJMEFJC-IBGZPJMESA-N 471.583 1.639 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1689993367 BMXULSKUYDOLRD-INIZCTEOSA-N 461.498 1.531 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1([S@](C)=O)CCC1 1690088288 HNPCTCRNEMUSSM-MKTHODDLSA-N 481.619 1.968 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(O)CCN(C)C1 1690097588 JSSUZWLUGRDXGK-NRFANRHFSA-N 478.391 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C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCn2nc(C)nc2C1 1760518363 RYEAGNJCPGBIFP-UHFFFAOYSA-N 487.362 1.939 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1760521217 MWLOUQHQFNEAND-QGZVFWFLSA-N 499.597 1.668 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1760555952 RAKUIZRWJRSSRJ-SFHVURJKSA-N 473.599 1.406 30 10 JDEE CCN1CCN(C[C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)CC1 1765550411 DWXZQHGZNXWJKJ-MOPGFXCFSA-N 480.683 1.292 30 10 JDEE COCCN(CCOC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCN1CCOCC1 1870348032 GAGSBOUQBKTVQN-UHFFFAOYSA-N 484.597 1.726 30 10 JDEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CNc2ccc3c(c2)OCO3)cc1=O 1871007960 AFFIXIPVNBFAIN-UHFFFAOYSA-N 467.503 1.897 30 10 JDEE NC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccccc1C(=O)O 1874209666 FVORTCSFTWPCBL-XMQIJXBMSA-N 478.534 1.952 30 10 JDEE N#CC1(CS(=O)(=O)Nc2c(I)ncnc2I)CC1 2057375181 QATBWZCMKVRNCB-UHFFFAOYSA-N 490.064 1.731 30 10 JDEE Cc1nc(I)c(NC(=O)[C@H](N)CCCC#N)c(I)n1 2121870200 XQUUOOLUKVAAJP-SSDOTTSWSA-N 485.067 1.954 30 10 JDEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)C1CS(=O)(=O)C1 2206612334 QIEKZNAHGPXDLJ-INIZCTEOSA-N 481.380 1.257 30 10 JDEE Cn1nc(C(=O)NOC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255648683 DPAJJWAGROUUKE-UHFFFAOYSA-N 456.736 1.653 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)n1 2267155744 YCTPWZVAJFRPFC-NRFANRHFSA-N 452.361 1.208 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 2267372475 PDDCKYNBHDBGOI-UHFFFAOYSA-N 470.401 1.397 30 10 JDEE CC(C)(C)OC(=O)NC[C@H](CO)NS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2267464424 HVRIOCMOKBSSDV-CQSZACIVSA-N 474.360 1.289 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 2267717612 GTHKSLZEALJUAW-UHFFFAOYSA-N 470.401 1.397 30 10 JDEE CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]1CCO2 2281981289 YHKGRMFZBTWIAW-RCDICMHDSA-N 462.356 1.465 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)n1 2282049862 GJJDXMRRFADLRV-HZPDHXFCSA-N 462.356 1.180 30 10 JDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(O)(CNC(=O)OC(C)(C)C)C2)c1 2282545862 XZMSUXOGBUXANL-UHFFFAOYSA-N 462.352 1.706 30 10 JDEE Cn1ncc(C(=O)N=[S@@](C)(=O)CC2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282557286 SQVUTLRWEJUHHQ-XIFFEERXSA-N 482.412 1.824 30 10 JDEE Cc1nc(S(=O)(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282842158 UJEIAIINGPVAHS-HNNXBMFYSA-N 484.428 1.563 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1[C@H]2C[C@@H]2CN1C(=O)OC(C)(C)C 2282851180 YRIVBGXOYWFQFZ-QLFBSQMISA-N 482.412 1.253 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2282860267 XVBXPFMQTURBRG-HUUCEWRRSA-N 482.412 1.111 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H](NC(=O)OC(C)(C)C)C2(CC2)C1 2282863912 ANOQPPRCRJOVRX-HNNXBMFYSA-N 482.412 1.397 30 10 JDEE C[C@H](NC(=O)[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)OC(C)(C)C)c1cscc1B1OC(C)(C)C(C)(C)O1 2284130663 QCEXCXPJROHWPT-IEAZIUSSSA-N 482.408 1.566 30 10 JDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)C=Cc3ccc4c(c3)OCCO4)cc2C1=O 2332188399 KCVZXNWMVVCGPJ-UHFFFAOYSA-N 456.418 1.788 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)CO[C@@H]1C2 2334389765 BBBVTOIKTPWKDQ-HTGLOVNISA-N 466.369 1.270 30 10 JDEE C[C@H](NC(=O)[C@H]1[C@@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2359392568 OTALLWFMNZMAKM-SDNTUTLCSA-N 482.408 1.566 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCOC1CN(C(=O)OC(C)(C)C)C1 2362357463 ZRGHFEZOCKXMQR-UHFFFAOYSA-N 464.372 1.475 30 10 JDEE N#C[C@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 72444358 HCHUAQMFIPAKQE-CABCVRRESA-N 452.427 1.245 30 10 JDEE COc1ccc(C(=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)C(=O)O)cc1 606351492 LZAWIOSHNVZELA-UHFFFAOYSA-N 490.520 1.976 30 10 JDEE Cc1ccc([C@@H](NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)[C@H](C)S(C)(=O)=O)cc1 1169809638 AWVCKQSEFIOHDG-KKSFZXQISA-N 459.572 1.576 30 10 JDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1251555484 QKTMFPXGQIFQAH-GOSISDBHSA-N 467.551 1.168 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)n1 1286377616 ZNJBOIOTFFTSDV-AWEZNQCLSA-N 458.466 1.143 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(OCCN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1286387589 SQDKYHYKUUGOMX-OAQYLSRUSA-N 494.621 1.956 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCS(=O)(=O)CC1CC1)[C@H]1CCS(=O)(=O)C1 1286388506 QIRNMLWBGZUNAD-KRWDZBQOSA-N 466.585 1.298 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)COCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1286389565 MKUQOEAQSGXSKJ-JBACZVJFSA-N 485.610 1.709 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(N2CCOCC2)CCSC1 1286398424 WZMJZADSZIOFAZ-HSZRJFAPSA-N 465.583 1.206 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccccc1 1286432096 XFZVXBALZFLPIL-RTWAWAEBSA-N 471.583 1.462 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1286489759 BEHNBWVPTOWYGK-UHFFFAOYSA-N 485.610 1.994 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1286503583 CEYTZHIAMLGXBR-LJQANCHMSA-N 452.584 1.487 30 10 JDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1286592381 BPQTZMXYFGUEAA-VAMGGRTRSA-N 478.663 1.383 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1286608268 PABLBRZZEOYTQY-LJQANCHMSA-N 471.587 1.366 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccn2)CC1 1286795359 IVNJBJQGAHEIJZ-GOSISDBHSA-N 498.613 1.618 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC1CC1 1288861756 DCXFHZWYKBPUNU-GJZGRUSLSA-N 459.580 1.065 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1(O)CCCCC1 1288862011 GPZNHFNHZICCAJ-GOSISDBHSA-N 487.630 1.782 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCCC2)CC1 1296297035 DMLPATHBMHUPCM-UHFFFAOYSA-N 480.617 1.473 30 10 JDEE CN(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)c1c(F)cccc1F 1298018933 AGFVNZUXOXFHSF-YJBOKZPZSA-N 459.501 1.824 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(CC)(CC)OC)[C@H]1CCS(=O)(=O)C1 1300479997 WOMALUVCLLOKHX-KRWDZBQOSA-N 451.593 1.346 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCOCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1300493505 VSZKHUVRRFKLIU-LJQANCHMSA-N 482.566 1.587 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1CC(=O)N(CCOC)C1)[C@@H]1CCS(=O)(=O)C1 1300502040 PQQNVNVMDDJJKR-RBUKOAKNSA-N 491.639 1.052 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1300503046 ZRRVCNMXUKVLKU-SFHVURJKSA-N 460.560 1.843 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN(C)C(=O)OC(C)(C)C 1300557237 REVHCUKJJGJBCQ-QGZVFWFLSA-N 466.608 1.608 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@H](N1CCOCC1)C(F)(F)F 1300579846 XVZLHJRKFLHZEF-SFHVURJKSA-N 478.475 1.732 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCNC(=O)c2ccccc2F)CC1 1300719484 COZCAGJVUCLWGN-UHFFFAOYSA-N 475.528 1.875 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccnc(C(F)(F)F)c2)CC1 1300728618 BPFHKLGOEJPACS-UHFFFAOYSA-N 489.502 1.828 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300869372 LRYXPFVNVCDKIZ-ACRUOGEOSA-N 492.621 1.558 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1300928733 MXUVOQOBMYLWIZ-HNNXBMFYSA-N 450.540 1.452 30 10 JDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1301130298 VTSWBXTWGUOBQH-UHFFFAOYSA-N 465.558 1.066 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1301223493 WTHPLZAYXJDHLH-KBWCOIMZSA-N 492.690 1.963 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1301508941 XDYBNCGPDMSJOZ-KRWDZBQOSA-N 456.572 1.666 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1301568134 OVMIWBZVHXWTAP-GOSISDBHSA-N 484.586 1.873 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCNC(=O)c2cccs2)c1 1302989102 HXKTYBQHFHXFSK-UHFFFAOYSA-N 456.553 1.543 30 10 JDEE CCCN1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C(C)(C)C1=O 1307704091 HPNZSZAKJMOINJ-UHFFFAOYSA-N 454.531 1.788 30 10 JDEE C#C[C@H](NC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(Br)cc1 1312009512 UMEJZRSHVMOOOH-IRXDYDNUSA-N 458.378 1.911 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1358912486 RYLGYVLOZZPXPP-RTBURBONSA-N 457.604 1.879 30 10 JDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc2c(c1)C(=O)NCC2)[C@@H]1CCS(=O)(=O)C1 1358957614 XDKZOIIDNLUAHB-QFBILLFUSA-N 455.584 1.753 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(C(OC)OC)c1)[C@@H]1CCS(=O)(=O)C1 1358964260 WKXGULWDKOXNDJ-VQTJNVASSA-N 474.583 1.748 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(COC)c1 1358994133 GCMQVQDCBIZZNG-OAQYLSRUSA-N 471.583 1.269 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CC(F)(F)CO2)CC1 1359041836 KDFGNOGGGCIVNY-GCJKJVERSA-N 481.544 1.709 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1359047853 VYSCBDADFCOLAK-KRWDZBQOSA-N 472.512 1.044 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(CC)n1 1359070496 NUZOGSAXPDVSRF-DYESRHJHSA-N 478.644 1.865 30 10 JDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1359226812 NEYSTNXFMPCSLL-MOPGFXCFSA-N 469.608 1.006 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359309378 PXQZVKQZYNAJJL-GOSISDBHSA-N 459.572 1.751 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC(F)(F)C2)C1 1359321798 LVCJHMPJMKZFLP-GVDBMIGSSA-N 475.562 1.828 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1359327136 SXLGFRLECYROGQ-KGLIPLIRSA-N 451.515 1.897 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC(C(N)=O)CC1 1359335631 QGSXQRYDTXLMDD-UHFFFAOYSA-N 451.524 1.299 30 10 JDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)c1ccc(Cl)cc1F 1478900018 JMXVYQJJBTXQEO-QGZVFWFLSA-N 453.927 1.911 30 10 JDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)CC1 1503827622 DNVXHXPEYLOKOJ-XIFFEERXSA-N 473.603 1.737 30 10 JDEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(N2CCOCC2)n1)[C@H]1CCS(=O)(=O)C1 1507622030 FGSHROKQASQDFU-IBGZPJMESA-N 458.588 1.308 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1507623206 POPWEEWCJYXPMF-CHWSQXEVSA-N 485.554 1.104 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCCS(C)(=O)=O 1507653799 VBFFTXGSNWJOGY-UHFFFAOYSA-N 452.540 1.882 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCO1 1507701551 KCOGZKXAAJIKPR-NHCUHLMSSA-N 489.573 1.735 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)NCC(F)F)CC1 1507734406 LWPFLLQSAZRBQL-UHFFFAOYSA-N 496.465 1.894 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1507744339 RJSYGWPPQWTUCA-SFHVURJKSA-N 456.572 1.465 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1507824452 CRWVBTCCTCHZEJ-QGZVFWFLSA-N 467.640 1.035 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@]2(CCCOC2)C1 1508072468 KCJQQJGYBWTGEM-HSZRJFAPSA-N 488.614 1.505 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1508133310 HBBMJUWCWXEYKP-KRWDZBQOSA-N 492.989 1.672 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(c2cnccn2)CC1 1508137665 PKTRVHLXYHUFRZ-UHFFFAOYSA-N 469.571 1.671 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)c1 1534302804 DQPMWHYQCMMZOH-UHFFFAOYSA-N 455.474 1.908 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(OCCOC)CCOCC1 1539005364 YYOBLHPDZOTUDH-SFHVURJKSA-N 480.569 1.862 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1539202022 FBVJBHJSOABUTR-LJQANCHMSA-N 464.551 1.909 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)n1 1539424441 PVDUJVWYMXMDAY-GOSISDBHSA-N 477.635 1.340 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2C[C@]2(O)CCO[C@H]2C)n1 1539424542 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C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1760281941 SJPZTVTUORXZMF-LJQANCHMSA-N 487.651 1.945 30 10 JDEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1760356529 PVLCEDSMCWOJEY-UHFFFAOYSA-N 460.579 1.036 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1760464478 IGXUBGUZHCROKU-JKSUJKDBSA-N 472.612 1.394 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1760465159 YCBVQDKVHXKXQB-LJQANCHMSA-N 486.602 1.479 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(CN2CCOCC2)CC1 1760525451 GRYHCYHVVOSWFH-UHFFFAOYSA-N 459.620 1.485 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(S(C)(=O)=O)CC1 1760693265 HVXFXLONJGZHAU-INIZCTEOSA-N 458.592 1.625 30 10 JDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1763922889 ACBHKWHDJBKFAS-INIZCTEOSA-N 453.547 1.592 30 10 JDEE CN(Cc1ccccc1)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1767097835 GUIBLVJSQZESGH-XXBNENTESA-N 470.599 1.969 30 10 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1.779 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2255802730 CVSKJEUBQFPUAQ-QWHCGFSZSA-N 473.426 1.917 30 10 JDEE CC(C)(C)OC(=O)N1[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)COC1(C)C 2267139977 MZELMSSXNJYFBU-ZDUSSCGKSA-N 450.345 1.811 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2[C@H]3CC[C@@H](C3)N2C(=O)OC(C)(C)C)n1 2267705089 DZHXYPAPZSFUPF-KBPBESRZSA-N 468.385 1.797 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2267711944 ALTOVVDHKBLLMG-ZFWWWQNUSA-N 488.437 1.553 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](CO)(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2267720015 HNBUVNWBLFDDTJ-FQEVSTJZSA-N 488.437 1.698 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(OC)CN(C(=O)OC(C)(C)C)C2)n1 2281996680 RQPFHOCRZIZEJA-UHFFFAOYSA-N 464.372 1.568 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](O)(CCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282187621 LDFIJTNKJGQRGA-HSZRJFAPSA-N 461.368 1.873 30 10 JDEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCCN1C(=O)OC(C)(C)C 2282335609 RRGCSADBQWJWTG-HNNXBMFYSA-N 484.428 1.739 30 10 JDEE CCn1cc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)nc1B1OC(C)(C)C(C)(C)O1 2282533925 PVRXBLBYSSZHJN-LJQANCHMSA-N 454.380 1.833 30 10 JDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C2)n1 2282551118 BEXLLBXHLONGQA-JKSUJKDBSA-N 461.368 1.789 30 10 JDEE CCCN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2282619846 WYKKYIUHXVUBHH-HNNXBMFYSA-N 463.388 1.976 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1CO 2282672713 MBQWJLYVNPOGTC-RDJZCZTQSA-N 461.368 1.729 30 10 JDEE C[C@@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2282836249 HOJZJONGTSELHP-CABCVRRESA-N 484.428 1.643 30 10 JDEE C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282856431 SAQCXKYFDAONTD-CABCVRRESA-N 484.428 1.786 30 10 JDEE 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C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NC(C)C 1286774036 XTLVPLYKTVZUSR-QGZVFWFLSA-N 466.583 1.750 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1286779961 LPEUKWLEVGXTPE-XLIONFOSSA-N 469.521 1.961 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)CC(=O)N1CCOCC1 1286781370 XLHYBRXZTDCUCW-IBGZPJMESA-N 470.574 1.632 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1286815396 UBKZUACRSGUYGZ-OAHLLOKOSA-N 469.514 1.849 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(O)cc2)CC1 1286821758 AEORRQGSIKPZPV-UHFFFAOYSA-N 468.583 1.897 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC(=O)N(C)[C@@H](C)C1 1286823617 WRQRABAYEJHTHS-INIZCTEOSA-N 456.572 1.618 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](CC)C1 1286824189 WSHQPTQLZNGSKF-HNNXBMFYSA-N 453.590 1.486 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](c1cccs1)N1CCOCC1 1288167955 HHEDAJQTZANZEZ-IAGOWNOFSA-N 459.576 1.280 30 10 JDEE 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30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C)CC1 1705653682 NAJSOQNVURFXOI-GOSISDBHSA-N 462.645 1.890 30 10 JDEE C=CCCOCCn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705832709 FZYGDVUWJDCVIW-FGZHOGPDSA-N 468.620 1.926 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)NC)c1)C1CC1 1705855169 WWKMQZJWZCEMST-LJQANCHMSA-N 474.587 1.174 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1705898537 OSVDRZMAUUKAPU-QGZVFWFLSA-N 456.547 1.617 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCOC[C@H]1C 1705900963 VYBWAEOJZRNNFC-MRXNPFEDSA-N 451.531 1.763 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1705933698 POUBBHURLVGDOF-IBGZPJMESA-N 454.574 1.462 30 10 JDEE C[C@H]1CN(CCN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)C[C@@H](C)O1 1708275464 DFTPRXCDGBANBW-YDLHNXBPSA-N 454.575 1.902 30 10 JDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1712478685 FFMOBCIZGHAHID-HXUWFJFHSA-N 458.588 1.552 30 10 JDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCS(=O)(=O)c2ccccc2)CCO1 1712882291 ADQGCCUDNMVKJU-QGZVFWFLSA-N 458.544 1.107 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCCOC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1722361703 OKZKUGHVKKARTA-OALUTQOASA-N 459.572 1.553 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(C)cc1OC)[C@@H]1CCS(=O)(=O)C1 1722362994 YCVPRTOXXHIEOC-GOSISDBHSA-N 452.540 1.727 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1722367279 VHSKWRJYIIYRDN-IBGZPJMESA-N 469.592 1.704 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1722370242 AWRLIXFBLGEAGL-LJQANCHMSA-N 494.639 1.535 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCS1 1722398080 WTEAPYMBQXYBHS-QZTJIDSGSA-N 451.618 1.360 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCOC1=O 1722400111 IBDCKSXCWUZJQJ-UHFFFAOYSA-N 462.558 1.757 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NCC(F)F)CC1 1722443058 AXUPEWIVRKTZPK-UHFFFAOYSA-N 475.456 1.200 30 10 JDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1722543523 QOHKKAJEOPZLKF-DLBZAZTESA-N 478.015 1.385 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOCC)[C@H](CC)C1 1722556088 NSTYJOVJOMPIHK-QZTJIDSGSA-N 491.058 1.301 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)[C@H](C)C1 1722685574 BSCXXULVIVUUEH-MSOLQXFVSA-N 450.584 1.929 30 10 JDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722698203 WFVTWQYLKFKVIY-KRWDZBQOSA-N 451.531 1.080 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(=O)NCC)c2)C1 1722718585 LSQKMJCHPOFJFS-PMACEKPBSA-N 473.599 1.760 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1740619430 ONWZMZYSZYSVPD-CTNGQTDRSA-N 474.583 1.776 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1740684614 WQYPPDPHRZQDJJ-NHCUHLMSSA-N 452.559 1.216 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCN(C)C1 1740685592 OQUDWQDDHMFNRQ-DEOSSOPVSA-N 476.622 1.545 30 10 JDEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(O)CCS(=O)(=O)CC1 1740928644 POVIOCAAPZHVAF-UHFFFAOYSA-N 460.556 1.834 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1740947183 QULNINPNFPRHML-KRWDZBQOSA-N 462.576 1.489 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1740953538 JGGSPXDUNBEGOR-HNNXBMFYSA-N 478.395 1.496 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CCOC)[C@@H](C)C1 1740962614 JLUVPPZRADGBDG-SFHVURJKSA-N 451.575 1.809 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740988500 GUJCYOOCBMILCT-OAHLLOKOSA-N 480.978 1.422 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1740994073 MBDYCVXSBKOMEY-GOSISDBHSA-N 461.588 1.823 30 10 JDEE CC(C)(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCCS1(=O)=O 1741195781 CRTXOHKOWTVHOC-UHFFFAOYSA-N 472.619 1.495 30 10 JDEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)CC1 1747385733 HUTKDMWORAFGNN-UHFFFAOYSA-N 468.587 1.982 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccco2)CC1 1747544465 BIIGERJADKRWAG-XMMPIXPASA-N 463.542 1.528 30 10 JDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccc(OCC)n2)CC1 1748765476 ISTHVRDIJPYBRY-ICSRJNTNSA-N 455.563 1.931 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1748808668 FTFZIKHNWIDFET-OAHLLOKOSA-N 450.952 1.145 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1748808863 HFZBIPOKTGXEAJ-GOSISDBHSA-N 474.583 1.894 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1748821330 PISJVZNWXQXMKT-GOSISDBHSA-N 463.604 1.113 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1748821745 USQWIJNZSXVALK-HXUWFJFHSA-N 473.574 1.799 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2nnc(C)s2)CC1 1748994825 SWSYWRUBIIIJHZ-UHFFFAOYSA-N 456.601 1.427 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[S@@](=O)CC)CC1 1749003289 DPERZQATIGJFDS-KCEHZKJRSA-N 465.620 1.053 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCN2CCCO)CC1 1749016370 CGPZHRFQYVHWFP-NRFANRHFSA-N 485.658 1.446 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1Cc1cccc(S(=O)(=O)NC)c1 1749056302 XNIVUNUZQMRFCU-HTAPYJJXSA-N 461.588 1.951 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCO[C@H](C)C1 1749067107 POQVKRRLGGLSSY-TXTKFYIRSA-N 494.662 1.104 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H](C)CC(N)=O 1749124017 KRFLRXKITJBSGC-KNBMTAEXSA-N 451.535 1.602 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1749680642 NIDRPYPQHDKZML-IAGOWNOFSA-N 454.531 1.415 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(C(=O)C(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749682550 VEUJLZRZILWYNN-FQEVSTJZSA-N 473.496 1.969 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CC(N)=O)CC1 1749726696 AVMSGBXHQZBICX-UHFFFAOYSA-N 475.571 1.409 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCC(C)CC2)CC1 1749732559 YXNYLMDGGIMTLL-ACBHZAAOSA-N 464.636 1.531 30 10 JDEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(CC)C(=O)C1 1749749374 KMKGXMSQDHGKCM-UHFFFAOYSA-N 453.576 1.899 30 10 JDEE C[C@H]1CN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)C[C@@H](C)O1 1752394788 CCHPDQKVFKJACN-IXDOHACOSA-N 453.613 1.128 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(-n2cncn2)nc1)[C@H]1CCS(=O)(=O)C1 1760186528 OEAADQGLGAXDQD-SFHVURJKSA-N 468.587 1.517 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCNC(=O)c1occc1C)[C@H]1CCS(=O)(=O)C1 1760188239 NYIUABULDMIFMC-OALUTQOASA-N 489.598 1.520 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCc1ccnc(C(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 1760189173 RZAHHSMACXHTDU-OALUTQOASA-N 499.641 1.576 30 10 JDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760226406 SCKMCAUJYIARKT-AWEZNQCLSA-N 469.409 1.787 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@H](N1CCOCC1)C(F)(F)F 1760247589 HNYPZLKBMJHHLV-SFHVURJKSA-N 452.481 1.998 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2ccc(OC)cc2)CC1 1760265144 PEFJKXJJMKNTOM-UHFFFAOYSA-N 468.558 1.470 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(O)CC(OCC)C2)CC1 1760267695 WSFFSUAXMKFOFG-UHFFFAOYSA-N 467.570 1.850 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(CN3CCC(O)CC3)cc2)CC1 1760269919 GWWZYQVIJAQFQF-UHFFFAOYSA-N 464.614 1.811 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760306181 DBSDQSIOXNXFTK-CQSZACIVSA-N 489.440 1.719 30 10 JDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1)c1ccccc1 1760362416 JVEVLCRJIPDJSQ-WMZOPIPTSA-N 487.586 1.074 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1760440356 HUHFPGMOTNJEAZ-QGZVFWFLSA-N 458.592 1.387 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1760522644 YCYRHEPZKMVDAT-UHFFFAOYSA-N 467.618 1.607 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1760530469 QDSUDZUQXAESMN-VAMGGRTRSA-N 473.622 1.249 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)C(=O)OC(C)(C)C)C1 1760543849 STGYJOXJNUVFET-DLBZAZTESA-N 469.608 1.828 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1760553956 NEVCUABLEVZAJB-UHFFFAOYSA-N 482.545 1.673 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2)C1 1760554370 BCSNTNLWFBMYPZ-RTBURBONSA-N 480.612 1.359 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760554768 METHTQSBZSLGJA-QGZVFWFLSA-N 473.020 1.746 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](N4CCCC4=O)C3)n2CC(=O)NCC(F)F)c1 1770745953 HMNLZZHAHDZKAK-QGZVFWFLSA-N 457.485 1.789 30 10 JDEE Cc1ccc(C(=O)N2CC[C@H](NS(=O)(=O)c3ccccc3C#N)C2)cc1S(=O)(=O)N(C)C 1858304200 OSKFCNICWLADPT-SFHVURJKSA-N 476.580 1.310 30 10 JDEE COc1cc(C(=O)NCC(=O)Nc2c(C#N)nnn2-c2ccc(NC(C)=O)cc2)cc(OC)c1OC 1870140311 KGTIVEPBWQLZTB-UHFFFAOYSA-N 493.480 1.492 30 10 JDEE C=CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN2CCN(c3ccccn3)CC2)cc1=O 1870385013 CTHSVWSPQYNTCT-UHFFFAOYSA-N 495.605 1.826 30 10 JDEE CCCCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CN1CCN(CCO)CC1 1870668134 RWRMCTAGLJBNDY-UHFFFAOYSA-N 450.624 1.963 30 10 JDEE COc1cc(S(N)(=O)=O)cc(C(=O)N2CCC(COc3cc(C#N)ccn3)CC2)c1OC 1891435081 ZSKMFHKVQRPDFW-UHFFFAOYSA-N 460.512 1.549 30 10 JDEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CCC(COc2nccnc2C#N)CC1 1891531716 GBBZVEDZJQEOGI-LJQANCHMSA-N 486.598 1.771 30 10 JDEE C=CCNC(=O)NC(=O)C[S@@](=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2074684071 PHTJBCQVRKDSET-GOKJBEJGSA-N 499.545 1.739 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)OCC12CC2 2183980129 PTLPYQYTUTVLCJ-OAHLLOKOSA-N 460.340 1.883 30 10 JDEE C=CC1(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CN(C(=O)OC(C)(C)C)C1 2249438585 DLJPWGQXSMZNJA-QGZVFWFLSA-N 497.570 1.549 30 10 JDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)(C(N)=O)C1 2267136057 CVEUFWPENIKMAT-UHFFFAOYSA-N 485.799 1.905 30 10 JDEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267377731 GVPVJWJVQMVUSY-ZFWWWQNUSA-N 470.401 1.396 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCCCCNC(=O)OC(C)(C)C)n1 2267706786 FORWBHUFUAJYGR-UHFFFAOYSA-N 472.417 1.693 30 10 JDEE C[C@H]1[C@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1C(=O)OC(C)(C)C 2267714402 JSGUQXBAXCXZIN-DZGCQCFKSA-N 470.401 1.396 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268642164 QXOYYLKUYVDORE-OLZOCXBDSA-N 468.385 1.518 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](Cc1nccs1)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268712730 VLMDJBDDDYBHCB-NSHDSACASA-N 481.409 1.790 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 2282003387 BCTMVFCCSUFULG-LJQANCHMSA-N 498.389 1.795 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CN(Cc2ccccc2)CC1(C)C 2282329535 NWMXXMDDVULYNM-SFHVURJKSA-N 474.436 1.908 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2282351893 HFSBEGFRELDCPR-UONOGXRCSA-N 484.428 1.689 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282659544 MQNGETKMSSVPSP-AWEZNQCLSA-N 463.388 1.974 30 10 JDEE CC(C)(C)OC(=O)NCCn1cc(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)cn1 2282684639 UENLFGUMCOGJES-UHFFFAOYSA-N 458.328 1.749 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 2282850999 WBMRPNOEQRFCBD-GDBMZVCRSA-N 482.412 1.349 30 10 JDEE COCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(O)cc1 2297743337 HKRONLNGAMUMMI-IBGZPJMESA-N 460.508 1.711 30 10 JDEE C=CCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 2314413646 CZJSQTBKOZFGIW-ZDUSSCGKSA-N 476.605 1.989 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315682861 BMVQHSJFPKPKQJ-ZIAGYGMSSA-N 453.370 1.854 30 10 JDEE 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WHWZWUHMOVELOO-IBGZPJMESA-N 452.598 1.902 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N(CCCC)[C@@H]3CCS(=O)(=O)C3)cc2C1=O 757741302 ZGYGTPSGPCLUHN-MRXNPFEDSA-N 462.524 1.441 30 10 JDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1278477567 MCUFHSGINYOPQC-KRWDZBQOSA-N 451.501 1.551 30 10 JDEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286356120 AXQZMWKBWYKQFA-UHFFFAOYSA-N 450.543 1.506 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1286383640 MUKYRBKJSDXPTJ-UGKGYDQZSA-N 465.620 1.043 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](N1CCOCC1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286386564 CUZBYBSPTBXVOK-MSOLQXFVSA-N 498.531 1.230 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286392277 BGFSEPWXIRCTPU-MOPGFXCFSA-N 491.589 1.344 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1286397810 UXVUWVGQJHKJIW-JTSKRJEESA-N 475.546 1.101 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1286442591 FZJBAYUBJNFBNE-UHFFFAOYSA-N 476.585 1.299 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCC(=O)N2)CC1 1286489556 XFRCXAITFFLXKV-QGZVFWFLSA-N 470.961 1.852 30 10 JDEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCNS(=O)(=O)CC)CC1 1286647090 YZMBKOHCIMCEPY-KRWDZBQOSA-N 484.623 1.682 30 10 JDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1286768925 CXVSSSJHYPSOQD-QGZVFWFLSA-N 460.604 1.916 30 10 JDEE C[C@H]1CCCCN1CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1291099087 BEORQEPTYNKCRW-ICSRJNTNSA-N 479.651 1.615 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1300310016 JYEKLTSKXZIHBT-WOZUAGRISA-N 480.679 1.827 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1300410244 MHOQLYKFEIQLOJ-AZUAARDMSA-N 492.671 1.969 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1300484884 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JJMFZCKSSDRRKO-HXUWFJFHSA-N 479.585 1.731 30 10 JDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(NC(=O)COC)CC1 1358910296 KIAZAFDBDCHOIR-UHFFFAOYSA-N 477.569 1.727 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1358958348 MLEUDPDQWJJGJZ-HNNXBMFYSA-N 465.963 1.322 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358959286 FXGJUVRTGKNUPN-GOSISDBHSA-N 475.615 1.929 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1358967176 FQLIQHYTKVIYBA-RTBURBONSA-N 474.583 1.919 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2COCCO2)CC1 1359047949 ZKCXWFFBPBOWRA-IBGZPJMESA-N 469.542 1.247 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1359060234 OFMJKGCMQCVCKF-HXUWFJFHSA-N 460.585 1.667 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1359086719 GUUUGZNXVQXASD-UHFFFAOYSA-N 494.438 1.444 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCOC)C(=O)C1 1359106523 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1507548826 WLCIEYXYMJRFRM-UHFFFAOYSA-N 481.601 1.583 30 10 JDEE C#CCCCCn1c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1[C@]1(OC(C)C)CCOC1 1507573951 KLRXHBIMUHYGNJ-JPYJTQIMSA-N 470.578 1.654 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(S(=O)(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1507631688 GDDXHBJVKWSASM-SFHVURJKSA-N 477.612 1.129 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(C(=O)NCC)c1)[C@H]1CCS(=O)(=O)C1 1507633217 DKQQLFCMTYKQHT-FQEVSTJZSA-N 457.600 1.901 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)c1ccco1 1507710480 PHFRVQGYWYGMNR-DEOSSOPVSA-N 462.510 1.779 30 10 JDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCOCCC=C)CC1 1507723649 POTJUJQZRAOJBK-UHFFFAOYSA-N 457.604 1.586 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1507723908 YXRVWYSICGMGOJ-GOSISDBHSA-N 457.579 1.384 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C)CN2CCOCC2)CC1 1507736660 PAZZCHXOMWHYIV-FQEVSTJZSA-N 480.613 1.888 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)nc1 1507820590 ICKDNDFHEVCSPZ-QGZVFWFLSA-N 450.565 1.465 30 10 JDEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1507978792 SVNCVPBVWLCUAS-JOCHJYFZSA-N 472.571 1.408 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1508080928 UBBCGLWKPNZNGK-UHFFFAOYSA-N 481.582 1.294 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1508082757 XBPAWGDOIVEWJQ-UHFFFAOYSA-N 463.517 1.673 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1508135750 ALACWAYPXSIAEC-HNNXBMFYSA-N 464.979 1.755 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1508139716 DBMGKFCPMOXINP-LJQANCHMSA-N 465.620 1.612 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1508146587 ZKJDRZNCICOFCS-KRWDZBQOSA-N 480.660 1.724 30 10 JDEE COCCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1519186458 GZHMZYUXRJQEPQ-UHFFFAOYSA-N 454.510 1.883 30 10 JDEE C#CCN(c1nnc(CC)n1CCc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1539220936 XEKAYVDWZRPIQC-QGZVFWFLSA-N 450.586 1.113 30 10 JDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1539237697 IYEKMFVPCGGMOA-HSZRJFAPSA-N 456.568 1.596 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCOC[C@H]1OC 1539322952 BBNWVGSEHKVNBA-FCHUYYIVSA-N 463.586 1.967 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(C(N)=O)CCCC2)CC1 1539434907 XNRYEJBLJSLOBB-UHFFFAOYSA-N 452.559 1.763 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C)N2CCOCC2)CC1 1539483294 VYYQLZGEIZGJFV-HXUWFJFHSA-N 480.613 1.564 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1539499117 DSFVCSVDMWXICJ-QGZVFWFLSA-N 490.611 1.203 30 10 JDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1539597175 TZCREUAPALIZME-CABCVRRESA-N 462.414 1.846 30 10 JDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1540033191 AIFMRKLWXPAJQX-UHFFFAOYSA-N 489.577 1.921 30 10 JDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)(F)F 1540074378 YEDHMKFHAYBTBK-ZDUSSCGKSA-N 462.473 1.887 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1Cc2ccccc2O1 1540201167 PFOMIWWIUZQHKM-ICSRJNTNSA-N 477.587 1.254 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1540858182 LINXXIWVNHDWNC-GOSISDBHSA-N 468.530 1.402 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1540866564 RQSAACOJYVLCDO-UHFFFAOYSA-N 485.589 1.895 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(OC)CCOC2)C1 1540885685 NNZNNCCDBVBSSX-CVDCTZTESA-N 491.614 1.782 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCCS1(=O)=O 1554149248 GDRWULWBITTWPD-IBGZPJMESA-N 456.572 1.989 30 10 JDEE C#CCC1(C(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)CCCCC1 1583658002 PGPRGJWPHRXHCO-UHFFFAOYSA-N 456.586 1.881 30 10 JDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1587922027 QCTPWPHJJVJHAO-LQWHRVPQSA-N 451.593 1.204 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1588034816 MCKJASNWXYXOKT-BBWFWOEESA-N 475.546 1.463 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588035617 WCPCSRGZIRGCMD-KNQAVFIVSA-N 466.604 1.372 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588044971 DQBSXNWXSLRPDM-PZJWPPBQSA-N 471.627 1.849 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588069069 GPYSNUABDGNTHV-RBUKOAKNSA-N 462.620 1.828 30 10 JDEE C#CCN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1588293204 QWLBMZWMUPYZGX-JOCHJYFZSA-N 462.572 1.750 30 10 JDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1588856837 CCSUNEVHSBKISV-UHFFFAOYSA-N 456.616 1.722 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NCC)CC1 1589570410 UVDUEFCMYMFYTK-REWPJTCUSA-N 470.622 1.379 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1589658240 WIZHUEMJDQHJOA-JKSUJKDBSA-N 465.542 1.846 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOCC2CCOCC2)CC1 1594240789 AAWRWHVFLBWRIW-OAQYLSRUSA-N 497.662 1.847 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(C(=O)OC)CC1 1595218491 LQEXLFXOLLMPLT-GOSISDBHSA-N 482.607 1.268 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1595537235 OEUATBKNBPHYIC-DLBZAZTESA-N 462.913 1.902 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1595552003 ZFKFFWREAKDPHA-CQSZACIVSA-N 455.943 1.911 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCNS(C)(=O)=O)C1 1595680297 INCRTTQVRBIDCD-HNNXBMFYSA-N 487.424 1.767 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1595788796 JTBQMIIBCGEFLJ-LJQANCHMSA-N 486.598 1.183 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(O)CCCC1(C)C 1608563067 HFSVQYQYMZMJFU-DEOSSOPVSA-N 466.590 1.951 30 10 JDEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)c1=O 1615731961 FDIGYIPGKAXYAB-QGZVFWFLSA-N 461.526 1.626 30 10 JDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C 1615871547 CAYJQANJFGBSRG-MJGOQNOKSA-N 458.588 1.694 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOc3ccccc3[C@@H]2C(=O)OC)s1 1648217399 SNRJOWLVHNNPJH-LJQANCHMSA-N 450.538 1.890 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Br)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1689986168 KEQKVFBVZLLSTQ-AWEZNQCLSA-N 480.388 1.470 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(=O)(=O)c1ccccc1 1690013494 QRBUPUWAXGVHHQ-UHFFFAOYSA-N 496.618 1.785 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(C)c1 1690103935 JMZRCQVSYVVUNU-KRWDZBQOSA-N 453.590 1.115 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1 1690104230 QFQBKCCFBRHZMY-FQEVSTJZSA-N 461.588 1.248 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(N(C)C)CCCCC2)CC1 1690136766 JIAFYUZDCSCBRJ-GOSISDBHSA-N 493.678 1.119 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1690146450 NZRSWSHNMSLHCS-RBUKOAKNSA-N 498.550 1.401 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2ccccc2C)CC1 1690146732 VCTLGTBETVOHEC-TZIWHRDSSA-N 499.637 1.922 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2cccc(C(=O)NC)c2)CC1 1690154509 PWGOUURDQABIGU-OAQYLSRUSA-N 464.570 1.698 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690663849 GFINJHIRWAINNE-UHFFFAOYSA-N 467.574 1.384 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1690725060 DMKHNBOIUVKEFZ-FDDCHVKYSA-N 476.599 1.863 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(C#N)CC2)CC1 1690865895 BNNMQEONMCFHKA-UHFFFAOYSA-N 485.614 1.253 30 10 JDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1705564641 BXYHAGWRDGIIIA-OAQYLSRUSA-N 495.609 1.672 30 10 JDEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=C)C)[C@@H]1CCS(=O)(=O)C1 1705566430 OFJWXFBTWZTAQV-QGZVFWFLSA-N 466.567 1.878 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705568448 NQHBJNFDASXGEK-HXUWFJFHSA-N 487.630 1.169 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1705571165 XJPRSNFXVBCRIM-FUHWJXTLSA-N 460.535 1.128 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCS(=O)(=O)C(C)(C)C)CC1 1705632627 WUMLMBCEKINXQA-UHFFFAOYSA-N 452.625 1.165 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1705651209 NRXZOPQVAMDSER-NZQKXSOJSA-N 497.596 1.883 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1 1705862111 YWMUARUCNNCBBP-FQEVSTJZSA-N 471.587 1.585 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1705895305 BEOKMVOFISZIMP-YOEHRIQHSA-N 478.395 1.495 30 10 JDEE C=CCNC(=O)Cn1c(N(C)[C@@H]2CCCN(c3cccnn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705908280 MNKDPHOBILFNAQ-DVECYGJZSA-N 484.605 1.516 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](C)C1 1705934297 IEGZBOCZBNQNRY-GJZGRUSLSA-N 458.544 1.808 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCCc2cnn(C)n2)c1 1722305980 NKCVMMQLXAIVFO-UHFFFAOYSA-N 498.551 1.743 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1CCN(CCN(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1722368933 XFTBANSZBLZRFY-VXKWHMMOSA-N 492.690 1.072 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1722370949 GASQFMQEECCFAF-NRFANRHFSA-N 495.609 1.174 30 10 JDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCS(=O)(=O)C1 1722409555 CKVVPSNGGVGDRF-HNNXBMFYSA-N 450.590 1.132 30 10 JDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CNC(C)=O)CC1 1722454177 JUQGYENNNQBBFL-UHFFFAOYSA-N 465.587 1.640 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC(C)C)N(C)C 1722475346 TVZIXPVFZXTQAK-NNMXDRDESA-N 466.652 1.579 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1722532060 AUWPCXKCMCAVII-QHAWAJNXSA-N 487.649 1.448 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)N(C)C 1722655037 BZJDZICUAANPJK-UHFFFAOYSA-N 454.560 1.634 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCOCC1 1722656620 FYEBDOWLTRFIQD-HXUWFJFHSA-N 471.583 1.786 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cc[nH]n1 1722659266 RABWMRFZYISUGE-UHFFFAOYSA-N 466.521 1.999 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)OC)C1 1722730875 GDKSGEWZYIBIQJ-SJLPKXTDSA-N 477.587 1.891 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1722731456 LKLMPJFODARXGF-OAQYLSRUSA-N 479.990 1.828 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ncnn1-c1ccccc1 1723940089 AQPMHBYRQACXKU-IERDGZPVSA-N 469.575 1.647 30 10 JDEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)C1 1731014244 GFGSRAYUDDOHOZ-UWJYYQICSA-N 476.628 1.450 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(F)cc1 1740553728 UGPKVNLKAZWDJU-FRQCXROJSA-N 465.551 1.676 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@]2(O)CCO[C@H]2C)c1 1740561850 DBIGMLLAVFITOB-RGZWJVDOSA-N 453.543 1.768 30 10 JDEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740566017 NFXOCRRCJLVTGY-UHFFFAOYSA-N 465.514 1.584 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740583097 UXEFSHAWGUTKKV-IBGZPJMESA-N 479.628 1.622 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1cccs1)[C@H]1CCS(=O)(=O)C1 1740619130 MMOUKNQQRIQTEW-UWJYYQICSA-N 464.613 1.861 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1740620730 RAGSUXGHQXPCFR-IBGZPJMESA-N 473.599 1.683 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccnc(-n2cccn2)c1)[C@H]1CCS(=O)(=O)C1 1740625943 JGISOMBLIMPWMA-IBGZPJMESA-N 453.572 1.732 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCOC(C)(C)C1 1740687114 ZWEDDLUSUHDZFT-NRFANRHFSA-N 455.559 1.987 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1740702516 RBJWPSLIROXZSL-CJAUYULYSA-N 484.576 1.590 30 10 JDEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1740738850 QNIPAHNVKIMEFQ-ZBFHGGJFSA-N 480.388 1.972 30 10 JDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1740742110 COSIRBPBHUIBDI-UHFFFAOYSA-N 470.397 1.942 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1740750391 PSGDRCKOGXNSOF-UFYCRDLUSA-N 473.622 1.980 30 10 JDEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)=O)CC1 1740791478 IIRRMFPELRIEDP-UHFFFAOYSA-N 461.592 1.499 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNS(=O)(=O)c2ccccc2)CC1 1740832750 HQDQDBPSQFIUTH-INIZCTEOSA-N 482.632 1.269 30 10 JDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)CC(=O)N1CCOCC1 1740948239 DDERFIPQVMUUQD-UHFFFAOYSA-N 453.591 1.124 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCO[C@@H](C)C2)C1 1740981584 PPTNRXRFWJPIQO-SLFFLAALSA-N 467.636 1.462 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCO[C@H]1C 1741916600 AJDRYMVXJWZHEI-HKARXFIJSA-N 486.598 1.594 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@H](C)N1CCOCC1 1741916881 FHRRRLUMKNPRMS-RTBURBONSA-N 499.641 1.774 30 10 JDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1748760759 FFWSOBCUOPQSHJ-UHFFFAOYSA-N 452.515 1.800 30 10 JDEE C#CCCCn1c(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1748764388 NAUYZTFTDNNWIC-DENIHFKCSA-N 467.636 1.840 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1748811907 NVQUTWGZZMIATR-OAQYLSRUSA-N 495.609 1.250 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1748824136 JPQJVEHZTKUBMW-CMOCDZPBSA-N 493.674 1.893 30 10 JDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1748829447 CITANVGSKSMMCB-HSZRJFAPSA-N 459.547 1.297 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749026210 HXIDKYRBFRQXBD-HNNXBMFYSA-N 450.586 1.952 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1C[C@@H](C)O[C@H](C)C1 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1.299 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccn(C)n1 1760499173 QNALLNFNIAUURF-OAQYLSRUSA-N 485.614 1.628 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1760521097 JJVFSQOVMFEWII-FUHWJXTLSA-N 457.579 1.006 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1O 1760554911 QNCXNHWQXANSID-MRXNPFEDSA-N 454.574 1.123 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1765635160 GGIXUJPIGDHZCB-MHECFPHRSA-N 451.575 1.626 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1769368388 AIPFMRFGALLSFG-OAQYLSRUSA-N 488.614 1.920 30 10 JDEE CC(=O)Oc1ccc(C[C@H](NC(=O)CCS(C)(=O)=O)C(=O)Nc2ccc(C#N)cc2)cc1 1867028369 GZIRADYRNPUSKY-FQEVSTJZSA-N 457.508 1.584 30 10 JDEE C=CCN(CC=C)c1nc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)n([C@H]2CCS(=O)(=O)C2)n1 1870002682 UXMNSIPWEMJXHO-CVEARBPZSA-N 498.565 1.439 30 10 JDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccccc2)cn1CCNC(C)=O 1870396848 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CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C(N)=O)cc1 729672534 SNRBQQPYIUGLOG-HNNXBMFYSA-N 471.542 1.764 30 10 JDEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1C(=O)NC[C@H]1C(=O)O 757548562 WPWZUAAFNPUCKW-GIVPXCGWSA-N 461.474 1.232 30 10 JDEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)NCCc3ccc(OC)cc3)n2N)cc1 1083980088 VEQVTOPCHPGJGT-UHFFFAOYSA-N 483.554 1.684 30 10 JDEE Cn1c(=O)c2nc(Sc3n[nH]c(NN=Cc4ccc(Cl)cc4Cl)n3)[nH]c2n(C)c1=O 1084165605 KXWZSZSMRZTURK-UHFFFAOYSA-N 466.314 1.982 30 10 JDEE COc1ccc(C=NNc2nc(SCC(=O)Nc3nnc(SCC(N)=O)s3)n[nH]2)cc1O 1084369787 GMTZEPBQXQUVNG-UHFFFAOYSA-N 495.572 1.125 30 10 JDEE C#CCN(CC(=O)NCCCC(=O)NC1CCN(C(=O)OCC)CC1)C(=O)OC(C)(C)C 1136231053 DTKUWSBUPSZSQP-UHFFFAOYSA-N 452.552 1.490 30 10 JDEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1286388544 REFANHPPLOSSDD-IBGZPJMESA-N 480.594 1.988 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1286393282 QMTMZIJVIUQWDD-INIZCTEOSA-N 460.585 1.745 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1286499136 DOWQYNNVHBFWDP-OAHLLOKOSA-N 470.642 1.584 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C1CCCCC1 1286773694 QJHZWQAXCRUPCW-QGZVFWFLSA-N 453.609 1.610 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(SC)CCN(C)CC2)C1 1286800835 ROZUDDWUGDIAQZ-IRXDYDNUSA-N 472.681 1.497 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(O)cc2)CC1 1286824557 YBNIUSKUESJCSH-MRXNPFEDSA-N 466.633 1.840 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1288268132 BWXJSGFEEHCORM-LJQANCHMSA-N 471.587 1.346 30 10 JDEE C[C@H]1CCCN(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)C1 1291125911 DDHHHUMETUBPRF-PKOBYXMFSA-N 458.588 1.809 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1c2ccccc2C[C@H]1C 1300312131 XOAJPKOMTKAAIS-WAOWUJCRSA-N 472.615 1.520 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCOC1CCOCC1 1300441395 NCQPJWZRWUQUPO-UHFFFAOYSA-N 461.588 1.851 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccnc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1300491268 FWXKDRNBLCFSLC-HNNXBMFYSA-N 477.472 1.824 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CC=CCC2)CC1 1300712869 WZFPIOQDUWFSOQ-UHFFFAOYSA-N 462.558 1.153 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1300848209 BSNHODDDEQESRB-HUUCEWRRSA-N 460.398 1.393 30 10 JDEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1300992334 WHYRRBRPUFRDQJ-QGZVFWFLSA-N 465.558 1.935 30 10 JDEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1NC(=O)CC1(C)C 1301422541 OBHUYOVCGRAOFX-KRWDZBQOSA-N 475.619 1.792 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1301509147 ATVDSXPWDDUASZ-HXUWFJFHSA-N 469.512 1.972 30 10 JDEE CC[C@@H]1CCCCN1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1306321297 DHGLTGCCVPEBKR-OTWHNJEPSA-N 467.640 1.471 30 10 JDEE N#Cc1c(F)cccc1N1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 1309031868 HVYJSCRWSUJFPQ-UHFFFAOYSA-N 452.533 1.128 30 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C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1539101957 OBHQNCVTZAYJKB-UHFFFAOYSA-N 498.588 1.865 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1539200428 IJYBRKCJFXNJAW-PMACEKPBSA-N 473.599 1.301 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539221445 OLLJPPGBXUNWIU-PWRODBHTSA-N 463.648 1.921 30 10 JDEE C#CCSCCn1c(CC)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1539520419 RSYRTXFIJZLWNV-OWCLPIDISA-N 469.633 1.333 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(C)cc2)CC1 1539803218 HGZDWJOATSHNLL-LJQANCHMSA-N 481.022 1.999 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1539829361 XGDYRGSGHOUPQP-INIZCTEOSA-N 467.617 1.691 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1540867603 AWFXIOLIYSDYHC-UHFFFAOYSA-N 486.024 1.857 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCCC2=O)CC1 1540897896 VDMRFERIZOUTQJ-UHFFFAOYSA-N 487.586 1.117 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC(=O)N1CCOCC1 1540899088 CMRCWLJJJRHDEO-UHFFFAOYSA-N 498.005 1.503 30 10 JDEE CC(=O)N1CCN(CCn2c(N3CCN(c4ccc(C#N)cn4)CC3)nnc2C(C)(C)C)CC1 1541006774 DKFWTJMWXDHYEV-UHFFFAOYSA-N 465.606 1.333 30 10 JDEE Cc1ccc(SCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1542515732 DPLYEYGRKRCRFI-HKUYNNGSSA-N 492.627 1.441 30 10 JDEE COCCOCC(=O)N1C[C@H](C(N)=O)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548375511 OZFCEVFMAXHMPW-GOSISDBHSA-N 468.476 1.770 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2Cc2c(F)cccc2Cl)C1 1555812549 GMECEJZQVTWUBE-CXAGYDPISA-N 484.941 1.181 30 10 JDEE C#CCC1(O)CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)CC1 1558102444 JVTUFMCPYCTRGL-UHFFFAOYSA-N 456.520 1.884 30 10 JDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 1567596129 HYURUBHLWHRWRF-RXVVDRJESA-N 456.568 1.632 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCN2C(=O)c2ccc(OC)cc2OC)n1 1568521606 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C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1689930762 YZQCAMVWTHHDRV-HZPDHXFCSA-N 479.525 1.572 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1689995850 BBPFFGCPIMCOCB-NTKDMRAZSA-N 485.610 1.579 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Cl)c2c(c1)OCCO2 1690077527 QNPHEPMVGBEACQ-GOSISDBHSA-N 495.989 1.543 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(-n2cccn2)cc1 1690103620 FBMQOKVJHHQDBA-HXUWFJFHSA-N 468.583 1.695 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCNC(=O)C(C)C)CC1 1690124591 OQKUSQDIDBRBKR-OAQYLSRUSA-N 452.559 1.708 30 10 JDEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C)CC1)c1ccccc1 1690445403 XAGCFSOMNNOACU-NHCUHLMSSA-N 465.602 1.799 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCSC1 1690671869 ATGQGIMRZQHHFE-HZPDHXFCSA-N 466.608 1.830 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1690677290 TWWOHPMSJSITDU-MHECFPHRSA-N 471.558 1.942 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2cccs2)C1 1690700022 MSLQEGOZGYSFOH-JXXFODFXSA-N 452.602 1.931 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1690722244 BRUBFRSOEJOUMZ-UHFFFAOYSA-N 472.575 1.389 30 10 JDEE CC(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CC1 1692494142 CRSHZTLQBZTJQY-HXUWFJFHSA-N 453.591 1.980 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CCN1CCN(C(C)=O)CC1 1705574329 AXEFZWSBRZPJPS-UHFFFAOYSA-N 469.387 1.945 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1705651381 VEKRIZZADGYDOT-DHUJRADRSA-N 496.637 1.293 30 10 JDEE C#CCSCCn1c(N2CCN(c3nccnc3C)CC2)nnc1[C@@]1(OCC)CCOC1 1705665407 STMZBOOBVHXDGP-JOCHJYFZSA-N 457.604 1.722 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1705720880 GISDTNOSNLWSMM-GOSISDBHSA-N 453.657 1.459 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1705900381 AUZNRYLOQHUMKQ-KRWDZBQOSA-N 458.567 1.817 30 10 JDEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1705943481 CAOZSVGPOHPHHW-UHFFFAOYSA-N 469.571 1.808 30 10 JDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1705943563 DUHWXIBRJRJXDT-ZWKOTPCHSA-N 482.676 1.979 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCC[C@H](C)C2)CCO1 1711362621 CBSYHBPBUQYBKN-WFXMLNOXSA-N 451.575 1.888 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 1722363401 SHWJMYDMTNQQHK-GOSISDBHSA-N 493.033 1.467 30 10 JDEE C#CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1722368237 PWZNKSZOSLXFKI-MLHJIOFPSA-N 479.603 1.794 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1 1722397887 WJXBXYSPXZPNDZ-FQEVSTJZSA-N 457.556 1.153 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1722509100 NKKHPJHPEYKFSH-UEDWAMCQSA-N 483.635 1.453 30 10 JDEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(=O)N(C)[C@H](C)C1 1722622787 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C=CCS(=O)(=O)CCn1c(N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)nnc1C(C)(C)C 1749739878 LYBDUKBKHCRXAO-PMACEKPBSA-N 494.706 1.803 30 10 JDEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CC1(O)CCS(=O)(=O)CC1 1760167267 HYBJNTQGNPVALX-UHFFFAOYSA-N 453.362 1.717 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCc1cnn(C)c1 1760200813 UKTVMSFUUDVGSM-UHFFFAOYSA-N 450.572 1.677 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCc2cc(OC)ccc21 1760205718 ICNSCIHQAMMZHO-NFBKMPQASA-N 497.621 1.813 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NCCC 1760241525 CDZKMPJHSMYGMS-SFHVURJKSA-N 461.563 1.875 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1760262205 JJPNKSGFGNHQHB-NRFANRHFSA-N 450.587 1.427 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccccc2)N(C)C)CC1 1760264803 GEPJZMDLQCNYLL-NRFANRHFSA-N 465.602 1.685 30 10 JDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOc2cccc(OC)c2)CC1 1760346132 JFJOELNVDVYULA-IBGZPJMESA-N 475.615 1.966 30 10 JDEE 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1539296602 ROSCLXXDGJDULB-OALUTQOASA-N 454.600 1.802 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1539513012 KFEDOYKMXDGDBI-NRFANRHFSA-N 451.600 1.901 30 10 JDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539750796 CMHUKPZTOPFAHZ-HXUWFJFHSA-N 462.595 1.093 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sccc1C 1540201503 WFWMIEUDFJGRPW-MRXNPFEDSA-N 455.606 1.668 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 1540864865 NMZSCMJMYULCOO-IBGZPJMESA-N 469.571 1.726 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1540866373 LHNRGIOEDTVVDR-NQIIRXRSSA-N 454.575 1.803 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1540873793 KCHKRYLMHOBFQR-LJQANCHMSA-N 455.559 1.976 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1540874767 RKGZJTLJKJCBKC-UHFFFAOYSA-N 481.601 1.212 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1540875317 HUAZCDAEVYZJIG-ROUUACIJSA-N 457.487 1.672 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1540876049 GCZLBGGILJTPEH-HXOBKFHXSA-N 478.594 1.724 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540876439 REKRJLWNZBINFX-NCOADZHNSA-N 489.577 1.286 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1540902129 BDXHTDNGIHHGMO-FQEVSTJZSA-N 466.567 1.995 30 10 JDEE CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1547027894 BUVMPCCOBBYVOG-FQEVSTJZSA-N 491.593 1.748 30 10 JDEE CCN(CC)[C@@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1547429691 ATDVVLOFBGPCHC-RXVVDRJESA-N 489.646 1.849 30 10 JDEE CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCO[C@H]1C 1548162595 AMJIBCFKVXXNRT-YADARESESA-N 454.575 1.938 30 10 JDEE CCS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1548333453 HWURBAWKDNTQRE-HXUWFJFHSA-N 490.586 1.052 30 10 JDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1555077986 HXDUOCSAFDPSIG-SFTDATJTSA-N 481.601 1.549 30 10 JDEE C#CCCN(CCOC)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 1562117758 LMEQDQSBKDPJFB-QGZVFWFLSA-N 451.545 1.764 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC2(CCCCC2)O1 1587988888 DFALYAPFFOLHEK-QZTJIDSGSA-N 451.593 1.562 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588029819 MHTFVOBIXGYVJU-IBGZPJMESA-N 458.588 1.179 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1588180798 KUWLNOZJGKSOTD-GHTZIAJQSA-N 498.609 1.517 30 10 JDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1589405320 QLZOUWCMOXPLDD-BARDWOONSA-N 460.398 1.754 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](C)C1 1589544596 IYWOPEWONAPFDE-APAFKAMOSA-N 469.608 1.206 30 10 JDEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1593752609 NIZBVRKKYXWJDN-UHFFFAOYSA-N 462.545 1.950 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2CCN(CC)CC2)CC1 1594194576 XCXISCPKADEQEE-SFHVURJKSA-N 453.657 1.318 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1595496791 HRCWELCEKXHOCT-GOSISDBHSA-N 473.484 1.951 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1595497295 WUSQHGMINCVHLZ-UHFFFAOYSA-N 475.557 1.496 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1595523341 URULLFHGQZYOTR-GOSISDBHSA-N 452.559 1.999 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](C(N)=O)C1 1595772725 HAABPINVCDDUMC-AWEZNQCLSA-N 467.979 1.910 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1595805817 VFVXBGDSHAMICJ-KRWDZBQOSA-N 456.565 1.232 30 10 JDEE CC(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCS1 1603089958 CWZPLCSUSDFXNW-NQIIRXRSSA-N 461.613 1.944 30 10 JDEE CCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1617021970 BVTZWCUREOAHRX-SFHVURJKSA-N 459.572 1.619 30 10 JDEE CCNS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 1632918469 GUTLMQWZQMEEAL-HXUWFJFHSA-N 455.540 1.851 30 10 JDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(NS(=O)(=O)CCC)c(F)c2)c1 1653697744 CWNMGHIBFYDVSI-UHFFFAOYSA-N 453.517 1.876 30 10 JDEE C#C[C@@H]1COCCN1CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1653851832 FJVFWJVQNSIYGA-YQYFLZKSSA-N 459.549 1.067 30 10 JDEE N#Cc1c(Cl)cccc1S(=O)(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1666492074 HYRFJEBYBFQRMD-UHFFFAOYSA-N 450.929 1.667 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC2CCN(C(C)=O)CC2)c1 1689870710 XOZIJULCIHRXRV-UHFFFAOYSA-N 474.569 1.993 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1689980327 PRQWTYSQJPLKTI-IEBWSBKVSA-N 479.628 1.066 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(C)cc(C)cc2C)CC1 1690125007 YOPQTBUAAGELKK-JOCHJYFZSA-N 486.642 1.340 30 10 JDEE C=C(Br)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C(N)=O)C1 1690220945 GNVITAUQEARZHU-CQSZACIVSA-N 483.392 1.416 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1690243373 JZTKZPNZZNVQKY-IEBWSBKVSA-N 463.608 1.425 30 10 JDEE C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1690275204 YUBOLGRQBSNETG-SFHVURJKSA-N 486.548 1.641 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1690345743 CDRZEZNWXOWYLX-QGZVFWFLSA-N 482.950 1.834 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCNC(=O)OC(C)(C)C)C1CC1 1690545147 KOYWXDBBRIZMMV-KRWDZBQOSA-N 484.623 1.681 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1690673322 SXMNBUGMMGYBAK-UHFFFAOYSA-N 453.522 1.929 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1690792515 OXHVXWUIOHLAJS-ANEHGGCBSA-N 495.559 1.839 30 10 JDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOCC1 1691015626 DOTZRKRFLKHLOA-QZTJIDSGSA-N 460.604 1.797 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CCC2)C1 1695954229 COXSQTRVVVQHHG-FZEVHQGJSA-N 476.628 1.636 30 10 JDEE COc1cccc([C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)N(C)C)c1 1697502291 BJQWWEZYFRBIAC-VQTJNVASSA-N 453.547 1.441 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCN(c2ccncc2)CC1 1705480268 SIQPBNXCCRPUMG-OFVILXPXSA-N 467.618 1.995 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccc(OC)c(OC)c1 1705494664 DFKKBXHOYMYLOJ-DYESRHJHSA-N 491.614 1.719 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCNC(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1705563845 GWFGUUVDZYMDRD-KRWDZBQOSA-N 470.580 1.458 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1C 1705628693 MZDQSKWQLQXOIK-LJQANCHMSA-N 473.578 1.763 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](OC)C2CC2)CC1 1705634142 LDEKTWFXONMMRA-NRFANRHFSA-N 472.615 1.376 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(C)CCO[C@H]2C2CC2)CC1 1705644523 SWHOGTQKKLCHTM-CYFREDJKSA-N 456.591 1.587 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[C@@](C)(O)c2ccccc2)CC1 1705648495 XRGGXTUUKDFNSO-RUZDIDTESA-N 459.554 1.999 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1705649086 JWGGOJOBQQXMSZ-UUWRZZSWSA-N 479.610 1.571 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)OCC)CC1 1705654690 QIYDIJRJFUOTRW-UHFFFAOYSA-N 477.612 1.994 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1c[nH]nc1C 1705674911 UWGXCMXOGVXEAV-GHTZIAJQSA-N 461.592 1.267 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1705693419 GKWMZNAEBYMXMO-SJBKTWHCSA-N 487.649 1.532 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705706452 VDGHCSDYSQTMRP-QPPBQGQZSA-N 467.618 1.892 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1705894604 DVHMOXGUWVPREK-UHFFFAOYSA-N 485.564 1.600 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](n3cncn3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705908797 HQPVRDBIEJLWNH-KSZLIROESA-N 485.593 1.784 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@H](C)C1 1705931033 CGQNYDIUEDMZIZ-OAHLLOKOSA-N 470.642 1.891 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1705932508 VISWGEXIGVVOQJ-UHFFFAOYSA-N 484.630 1.613 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)CN2CCCC2)CCO1 1706048862 FHGCBPINFQSKJT-AVRDEDQJSA-N 451.575 1.890 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1722294763 HTLQBIRDXIFEAL-NQIIRXRSSA-N 471.627 1.643 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(N(C)C)cc1 1722295155 JIKXZNXYOGXNOA-YLJYHZDGSA-N 460.604 1.378 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC(F)(F)F)c1 1722351082 GJARWWOORQFBRO-QGZVFWFLSA-N 487.504 1.670 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1c(C)nc2ccccc21 1722397041 MEGVOAMXMBLUBB-QFIPXVFZSA-N 495.609 1.432 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2([S@](C)=O)CC2)CC1 1722437657 OQKRMTVDJDPUBB-JTYJAPAGSA-N 492.646 1.253 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(C)CCS(=O)(=O)CC 1722689022 PCSJQCIJTYDJFD-UHFFFAOYSA-N 470.393 1.881 30 10 JDEE C=CCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1722691488 XBGZTLRFKAZCAW-QGZVFWFLSA-N 465.551 1.813 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1722730344 PHIHUEVOGNWUND-SFTDATJTSA-N 487.626 1.920 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740624630 JCMBWWYNAGUJMB-RXVVDRJESA-N 475.590 1.355 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1740629449 NTCIIUOXVOJFSE-ZCNNSNEGSA-N 476.603 1.224 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@]2(O)CCOC2)CC1 1740691753 CHUTXBNTRVHUER-XMMPIXPASA-N 455.559 1.648 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(=O)COC)CC1 1740765448 XJNYTVBAJCQFOJ-OSZJIOELSA-N 477.606 1.715 30 10 JDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1740783846 WYTZSJZYTOYVKU-SFHVURJKSA-N 471.631 1.979 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1740795150 OTXACXHVXBDYDY-SFTDATJTSA-N 480.679 1.378 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1740992395 OYIPZHNWAMSGKK-HXUWFJFHSA-N 491.662 1.445 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCC2)c1 1748693027 VTFNJTOPNRSYTO-QGZVFWFLSA-N 457.556 1.151 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1748752133 SHMVMVRPALRBKQ-NRSPTQNISA-N 473.599 1.991 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748809400 MLYIUXZPASMWTB-SFHVURJKSA-N 493.033 1.731 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1748820057 YEKDRNKXTIDLRX-ZWKOTPCHSA-N 463.654 1.739 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1748821744 USQWIJNZSXVALK-FQEVSTJZSA-N 473.574 1.799 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCO[C@@H]1C 1748863678 CQRJAUJZGFKAIG-UZUQRXQVSA-N 455.946 1.864 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2CC2(O)CCOCC2)n1 1748970946 XZMBULRJASAEJK-UHFFFAOYSA-N 451.531 1.364 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2Cc2cnn(C)c2)CC1 1749018642 BRSBKPJBLFYFDH-UHFFFAOYSA-N 451.506 1.744 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCN(C)C2=O)CC1 1749229596 MDFOYRSVAUGXGR-KRWDZBQOSA-N 451.593 1.222 30 10 JDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(OCC(N)=O)c1 1749482401 GZJZCKVPLBKIOL-UHFFFAOYSA-N 469.571 1.773 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1749658052 KTNSCOAJERDIIR-SJLPKXTDSA-N 459.982 1.843 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1749731408 CTZCCQBFLBQXAH-INIZCTEOSA-N 482.513 1.183 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCn2cc(Br)cn2)cc1 1750382065 AUWHFMNPKYQHTD-UHFFFAOYSA-N 476.360 1.711 30 10 JDEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(OCC(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1760187712 DTUVRSYDICHALU-LJQANCHMSA-N 471.583 1.298 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C(N)=O)nc1 1760250003 WPEQXYUAVZVNJE-UHFFFAOYSA-N 475.557 1.080 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(OC)c(F)c2)CC1 1760254319 UIIMVILGHBFPNW-INIZCTEOSA-N 464.567 1.034 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CC(OCC)C2)CC1 1760254684 GEZXTUBVTMFYRN-UHFFFAOYSA-N 463.380 1.721 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2(CS(C)(=O)=O)CC2)CC1 1760268457 ROISZTOSKDZASE-UHFFFAOYSA-N 458.588 1.074 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1760281466 NDTVWGKFSDSGEQ-HNNXBMFYSA-N 472.596 1.832 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCCN1CCCC1 1760295151 OJVARMSHXXNGQC-NFBKMPQASA-N 478.663 1.869 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1760312664 BZBMLRBLXPMDOA-HKUYNNGSSA-N 482.651 1.696 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1760497577 LBCSJTWJPNDONE-HSZRJFAPSA-N 473.599 1.299 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1760510066 FELQSNVWNXQULN-PMPSAXMXSA-N 470.596 1.146 30 10 JDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760512226 PDDKOQSISCIMAS-UHFFFAOYSA-N 487.674 1.594 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1760524298 USAVMSGTRBKHTD-SFTDATJTSA-N 454.575 1.678 30 10 JDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760853987 BMQXOOJWIFAUQJ-HXUWFJFHSA-N 465.558 1.417 30 10 JDEE COc1ccc(OC(F)F)c(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)c1 1768710405 FYQWQWVFCCCZHH-HNNXBMFYSA-N 450.446 1.803 30 10 JDEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1772543495 IRUHXYRVVFSWOX-UHFFFAOYSA-N 470.574 1.423 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)N(C)CC(=O)O)nc1C 1858816396 SSXPECKNNQQDQY-UHFFFAOYSA-N 463.472 1.755 30 10 JDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862744975 YSNIYHBROLDUTG-SFHVURJKSA-N 470.394 1.923 30 10 JDEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCNC=O)=C(N)Oc2c1c(CCC)nn2C 1864319799 DAYOLAXFCSHDHL-LJQANCHMSA-N 453.543 1.884 30 10 JDEE Cc1ccc([C@@H](C#N)NC(=O)[C@@H](CO)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 1867783741 KLQNXOQKADJSSR-RTBURBONSA-N 451.483 1.975 30 10 JDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4cnccn4)nn3C)CC2)CC1 1889528279 QPRSDYGXYQUPML-UHFFFAOYSA-N 465.602 1.528 30 10 JDEE C=CCC1(C(=O)NC[C@@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2218601513 YVPUGYGOHLWMIR-OWCLPIDISA-N 455.552 1.257 30 10 JDEE C[C@H](CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)NC(=O)OC(C)(C)C 2255754230 WNIKWKYCXFQOCL-CYBMUJFWSA-N 458.390 1.301 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255808140 FLXSXJNJZKRJNG-ZDUSSCGKSA-N 453.370 1.808 30 10 JDEE 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CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267556892 ZTWRALUOLPPLBB-LSDHHAIUSA-N 450.341 1.927 30 10 JDEE C[C@H]1[C@@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1Cc1ccccc1 2267704653 RLHRGJMMTJUSHZ-RDJZCZTQSA-N 461.397 1.056 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2267717318 BBSBCJUJJPUIPK-JKSUJKDBSA-N 468.381 1.244 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCOC[C@H]1NC(=O)OCc1ccccc1 2282006182 UDFKULNTPFGNSH-RBUKOAKNSA-N 498.389 1.841 30 10 JDEE CC(C)(C)OC(=O)N1[C@@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)COC1(C)C 2282014344 PPOMWRGLECGHMH-HNNXBMFYSA-N 462.356 1.878 30 10 JDEE COC1(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CN(C(=O)OC(C)(C)C)C1 2282040781 NLBYRNVRLKOVPD-UHFFFAOYSA-N 465.331 1.886 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)C(F)(F)F)C2 2282042299 GNFXTUFOBXZYRE-YUTCNCBUSA-N 456.274 1.391 30 10 JDEE 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COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCOCC2)c1 1519163512 BCRQNRHASUDOTK-HXUWFJFHSA-N 488.614 1.432 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1539052336 CZLKDVUZWJHUIY-CVEARBPZSA-N 465.580 1.776 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1539203883 VQLPRQRCSBSOJY-VGSWGCGISA-N 477.587 1.324 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCCN1CCCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539210678 FRQLRHMQNIPZDW-PMACEKPBSA-N 472.615 1.468 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCc2sccc2C1 1539325300 GEUAOQWNEWDMHQ-IBGZPJMESA-N 457.625 1.763 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCOCC2(C)C)CC1 1539434646 RKDSYQAKDBAXCZ-UHFFFAOYSA-N 476.423 1.902 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1539441926 ZZKOTECBWRJUOB-JOCHJYFZSA-N 467.593 1.782 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCC(C)CC2)CC1 1539466528 APLUOHBZQCLACE-UHFFFAOYSA-N 455.607 1.212 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCc2nnc(C)s2)CC1 1539476722 DHNNTDWEKLGCEU-UHFFFAOYSA-N 451.560 1.494 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2OC)CC1 1539512298 BLCJUACMBQIAEN-LJQANCHMSA-N 454.600 1.926 30 10 JDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539525131 URRFCAWCMSFNGE-UHFFFAOYSA-N 460.629 1.470 30 10 JDEE C=C(Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NCCOC)CC1)c1ccccc1 1539765809 OMIDQMBBJQXKAE-UHFFFAOYSA-N 464.574 1.277 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(C(N)=O)CCOCC2)C1 1540886287 ZHYAGLWKURYURE-SFHVURJKSA-N 456.503 1.917 30 10 JDEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(C(N)=O)CCOCC1 1541968582 DPFPAAYXKUGHEA-YJBOKZPZSA-N 458.494 1.568 30 10 JDEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)CC1 1547474816 GKCVJDCUWIXLPQ-UHFFFAOYSA-N 476.589 1.489 30 10 JDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccnc2)CCN1S(C)(=O)=O 1555958865 DIFVGFUJPMOFCW-SFHVURJKSA-N 481.582 1.837 30 10 JDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1587783253 MWOKNHNEHRONPJ-UHFFFAOYSA-N 450.609 1.454 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1588035403 UADMMEZACBGCGR-UZLBHIALSA-N 465.601 1.370 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1588040890 RGLXZSSMCJVILU-MSOLQXFVSA-N 460.556 1.768 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC1(C(N)=O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1588045213 HIDLSFDXVVMMIZ-INIZCTEOSA-N 492.001 1.507 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCOCC1 1588399258 NYNDGCUXXHHHMJ-SFHVURJKSA-N 463.579 1.978 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2C1 1589069118 ISRHGLMYWMMOQR-IBGZPJMESA-N 461.613 1.540 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC)C1 1589069569 LTHDBUUYGJHTHC-MSOLQXFVSA-N 492.646 1.915 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1589110439 VQLUJWLIVVLCHD-SFHVURJKSA-N 459.620 1.349 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)COCCO1 1595084833 MZKZOGYIMZKCBS-JTSKRJEESA-N 474.587 1.758 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(OC)c2)CC1 1595405296 HVDFIOIGLHPMAO-LJQANCHMSA-N 462.576 1.132 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1595561756 ATBJJTQEVYUDRW-UHFFFAOYSA-N 460.517 1.903 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCNS(=O)(=O)c2ccccc2)C1 1595720823 BXEGZHHLFQLRMN-OALUTQOASA-N 461.588 1.932 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccnn2C)CC1 1595884941 XFTADOMDTQRQON-IBGZPJMESA-N 495.675 1.648 30 10 JDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(N(C)C)CCSC2)CC1=O 1619938757 DPOQZTWSTLMAGX-HSZRJFAPSA-N 469.615 1.549 30 10 JDEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)ccc1OC 1684381124 FZKQWNDOPQDPMS-IBGZPJMESA-N 459.547 1.062 30 10 JDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1689943140 MGSPPJSYWPAVJO-OTWHNJEPSA-N 451.593 1.420 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689978046 KNKHSMOVTMNZBG-GOSISDBHSA-N 465.620 1.518 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc([C@@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1689993640 IVLLAZYUAFQCTJ-YLJYHZDGSA-N 471.583 1.129 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(CN2CCOCC2)CCCCC1 1690059304 NRPHMUBRHNCGSL-LJQANCHMSA-N 466.652 1.631 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSc2ccccc21 1690104135 NOQMPYROONCILN-HKUYNNGSSA-N 491.639 1.587 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2COCCO2)n1 1690109515 URVADHYFHUEADW-IBGZPJMESA-N 471.949 1.892 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1690146586 RGEQQZGZLWCQQI-LEWJYISDSA-N 458.607 1.105 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)CN(C)C)CC1 1690152351 ILMSIMDKCSABON-UHFFFAOYSA-N 485.658 1.823 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690182530 BGAGXDYHRSGIPB-KRWDZBQOSA-N 488.639 1.464 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1 1690237436 YXMNTIBFLWUTRF-NSHGMRRFSA-N 466.652 1.934 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)C1 1690245237 GBLWVOKUXFRJGP-NSHGMRRFSA-N 465.620 1.466 30 10 JDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690284471 AYCUAXSBTNWFNG-MRXNPFEDSA-N 471.587 1.534 30 10 JDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1690497669 VTHXQLZRZAXRBV-IAGOWNOFSA-N 486.639 1.927 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1705516389 AAXXYZYGTYAWQR-FGZHOGPDSA-N 487.626 1.862 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1CCn1cc([C@@H]2CCOC2)cn1)[C@H]1CCS(=O)(=O)C1 1705559623 DKDOLRYWICJFFF-GGPKGHCWSA-N 460.604 1.819 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@@](C)=O)CC1 1705582396 AFJLIMNVGJUOFO-HYJWCJBQSA-N 461.588 1.570 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[C@@](C)(O)c2ccccc2)CC1 1705635413 YHNOQIFZVWTHFE-RPBOFIJWSA-N 453.587 1.983 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCN2CCCO)CC1 1705646352 XAVJDNCIYVEPLT-JOCHJYFZSA-N 480.613 1.766 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCOCCN(C)C)CC1 1705647212 CNVIMQMJEDRBDU-UHFFFAOYSA-N 492.584 1.138 30 10 JDEE C=C(C)COCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705730527 KRGUXCRLVYZGKM-MRXNPFEDSA-N 476.484 1.286 30 10 JDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1705799956 KYIKQAVVYLADRH-SFHVURJKSA-N 462.624 1.978 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705905250 OZFFGBZBKKHDFU-KRWDZBQOSA-N 478.594 1.418 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1705909315 SWSMHZJZCGUING-UWJYYQICSA-N 485.545 1.539 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1705927453 YSKWPKJYKGYXAN-FQEVSTJZSA-N 468.583 1.935 30 10 JDEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCN1CCOC[C@H]1C 1710739767 BHXOSKHPXGWGSN-HXUWFJFHSA-N 453.591 1.729 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)Oc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1722359700 VSRUJPBWUUQZMN-OALUTQOASA-N 473.599 1.819 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1722366515 RFIHRDPGANTEOK-HXUWFJFHSA-N 481.578 1.956 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1722367096 UYZMPRWDCNLQHA-YLJYHZDGSA-N 450.586 1.667 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722368397 RAJWTDYDUCIFQB-KURKYZTESA-N 481.619 1.712 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1722391141 XVMXQFINWRQZPN-ZWKOTPCHSA-N 480.635 1.854 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1(C)C 1722427466 VNYGDGNPEPRYNL-IRXDYDNUSA-N 471.649 1.229 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccnc(OC3CCCC3)c2)CC1 1722431719 NIEISZLNCRMSSP-GOSISDBHSA-N 487.630 1.408 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1722436662 JXFWQXYWMMNBAG-FHWLQOOXSA-N 471.606 1.630 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(=O)NC(C)C)CC1 1722443955 QZVXTVMKPJKCIQ-UHFFFAOYSA-N 468.558 1.453 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ncn(C)n2)CC1 1722444310 WMACBIKFTUYBHX-UHFFFAOYSA-N 486.378 1.189 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCOC)CC1 1722486189 VTGFNXZCYVZFTI-HNNXBMFYSA-N 490.424 1.068 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722506893 DNVLPRODVHJYLC-NQIIRXRSSA-N 460.604 1.763 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1722587863 CMXHVROTQZCIOT-BBWFWOEESA-N 491.680 1.471 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2nccs2)C1 1722616816 CXROHPCCJKTAKG-HOTGVXAUSA-N 468.605 1.612 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CCN(C)CC1 1722672479 RLWFQJHRQPWSTB-SFHVURJKSA-N 484.692 1.617 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 1722691934 CKGZCJDLJZJRBT-QGZVFWFLSA-N 454.531 1.831 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1722693679 XDNUYKFHBNMDFD-UHFFFAOYSA-N 467.574 1.984 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1722726309 BNOANSGDEAUJHB-WOJBJXKFSA-N 492.690 1.773 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC=C(Br)C1 1722726630 AKRCXNHNVSFCJB-CYBMUJFWSA-N 479.422 1.270 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1729212714 ARITXFZHAITEDD-QGZVFWFLSA-N 475.623 1.450 30 10 JDEE C#CCCCn1c(N2CCC(N(C)S(=O)(=O)CC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740596933 NHJWLJAGNIABAF-JOCHJYFZSA-N 467.636 1.982 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)CN1CCN(CC)CC1 1740644620 NJFOAYSJZBGQFN-NRFANRHFSA-N 462.602 1.662 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)N1CCOCC1 1740656842 NKXGXENTTVXFJT-NRFANRHFSA-N 462.602 1.636 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1740825487 OYQVGTWEHXPNJB-UGKGYDQZSA-N 479.603 1.885 30 10 JDEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1740863565 ATRSVTGFLBEKNS-QGZVFWFLSA-N 458.567 1.343 30 10 JDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCNS(=O)(=O)c1ccc(C)s1)C1CC1 1740910811 JIYPLJDNEMPLKB-HNNXBMFYSA-N 450.590 1.732 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(-n2cccn2)c1 1740932512 PVYFGRVMLCEFOG-IBGZPJMESA-N 484.586 1.418 30 10 JDEE CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOC(C)(C)C2)C1 1748050739 HYVZYFGOKFSCTI-DEOSSOPVSA-N 453.591 1.430 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748814226 BGQNITVFRZFDGA-AQNXPRMDSA-N 451.637 1.775 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1748815423 QHYYNILYVJIXNT-PMACEKPBSA-N 484.582 1.057 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748820794 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C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1749228917 FLYYRFKWNHRYTL-HKUYNNGSSA-N 464.592 1.567 30 10 JDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1749932032 APVXZULGNHNCCI-AZUAARDMSA-N 456.572 1.746 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccnc1OCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1760188953 RQKFSHIGDMXUTO-SJORKVTESA-N 499.515 1.793 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1760190326 VWCFWCGODCSWQN-GOSISDBHSA-N 455.544 1.147 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1760193199 WLFQMSNKPKCZPD-SCTDSRPQSA-N 479.628 1.750 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCc1ccc(OC)cc1 1760219513 GQDONIWWYAHLRD-FQEVSTJZSA-N 456.568 1.869 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC2(O)CCN(C(C)C)CC2)CC1 1760271760 KTEKYIYUFIXJFT-UHFFFAOYSA-N 499.685 1.835 30 10 JDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1760449570 NYQXKDNXCGOMIE-KDURUIRLSA-N 454.531 1.635 30 10 JDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)N1CCOCC1 1760464335 FRHNUEUTZBGBJR-DLBZAZTESA-N 451.618 1.937 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)cc1 1760529853 HNBCXOFJBCFSEW-QFBILLFUSA-N 497.643 1.515 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(COC)cc2)C1 1760543219 NRMZEZJARNFXQF-LEWJYISDSA-N 491.614 1.587 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1760554283 XZLSHVXERALHFW-OAQYLSRUSA-N 499.597 1.073 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1 1766698785 CMJSLRPQJFNHIH-UHFFFAOYSA-N 459.576 1.190 30 10 JDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCN1C1CC1 1767389354 GYTDDIHEKBMQKV-HXUWFJFHSA-N 457.604 1.819 30 10 JDEE C=CCN=c1nc(N(CCO)Cc2ccccc2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871707243 SMVQCKCWJKJSEF-UHFFFAOYSA-N 451.487 1.973 30 10 JDEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C1CS(=O)(=O)C1 2197502166 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CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2268605408 GJBPICDQGPXMAI-HNNXBMFYSA-N 451.304 1.832 30 10 JDEE COC1(CNC(=O)c2nn(C)c(B3OC(C)(C)C(C)(C)O3)c2C)CN(C(=O)OC(C)(C)C)C1 2281794416 GEQXYEGSVBAFGZ-UHFFFAOYSA-N 464.372 1.393 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@]12C[C@@H](CO1)N(C(=O)OC(C)(C)C)C2 2282186736 YRVUOHSFOSQZAS-QMHKHESXSA-N 461.368 1.833 30 10 JDEE CC1(C)OB(c2cncnc2C(=O)N2C[C@H]3CC[C@H]2[C@@H](NC(=O)C(F)(F)F)C3)OC1(C)C 2282187304 HLTVLBLBGOGSAR-UBHSHLNASA-N 454.258 1.447 30 10 JDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282330164 VXSLHKFXQYGGCA-CABCVRRESA-N 484.428 1.643 30 10 JDEE CN(C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCO1)C(=O)OC(C)(C)C 2282535395 NQDHVSVIJRSFQD-OAHLLOKOSA-N 464.372 1.427 30 10 JDEE CCn1cc(C(=O)N2CC[C@H](NC(=O)C(F)(F)F)[C@H](C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282539606 WZZGRPFQUQRCBA-OLZOCXBDSA-N 458.290 1.731 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282856903 ABAKJYUYWXDTEE-DOTOQJQBSA-N 482.408 1.492 30 10 JDEE CN(CC1(O)CCN(Cc2ccccc2)CC1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2286396544 RCSGOTUBGXGMEW-UHFFFAOYSA-N 454.380 1.808 30 10 JDEE C=CCOC[C@@H](O)Cn1c(NN=C(C)c2ccc([N+](=O)[O-])cc2)nc2c1c(O)nc(=O)n2C 2328610570 PZYLHSGVSWCYBO-HNNXBMFYSA-N 457.447 1.143 30 10 JDEE NS(=O)(=O)c1ccc(NC(=O)CCSc2nnc(N/N=C/c3ccc([N+](=O)[O-])cc3)[nH]2)cc1 20831944 HUQPFYGYLUBWBP-RGVLZGJSSA-N 490.527 1.927 30 10 JDEE COCC(=O)O[C@H](c1ncccc1S(=O)(=O)/N=C(\O)Nc1nc(OC)cc(OC)n1)[C@@H](C)F 31490226 FICWGWVVIRLNRB-HWPZZCPQSA-N 487.466 1.192 30 10 JDEE in-vitro CCCn1c(N2CCN(C)CC2)c(/C=C2/SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O 35520319 CZTIOCHGGYPUNI-SFQUDFHCSA-N 489.623 1.866 30 10 JDEE Cn1c(=O)c2[nH]c(Sc3nnc(N/N=C/c4cc(Br)ccc4O)[nH]3)nc2n(C)c1=O 105379330 GQWJPLWBLUYSLU-NGYBGAFCSA-N 492.319 1.144 30 10 JDEE CCCN1C(=O)C(=NOCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc21 254752476 VFGBTZVNDACBSY-UHFFFAOYSA-N 486.550 1.824 30 10 JDEE CC(=NNc1nc2c(c(O)nc(=O)n2C)n1C[C@@H](O)COc1ccccc1)c1ccc(O)cc1 254873242 HVZBGMGPYXHJOE-QGZVFWFLSA-N 464.482 1.817 30 10 JDEE C=C(CO[C@H]1[C@@H](NC(C)=O)[C@@H](OCc2ccccc2)O[C@H](CO)[C@@H]1O)C(=O)OCc1ccccc1 1084293263 ZYOBKAWAUGVIPQ-XRKIENNPSA-N 485.533 1.471 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CC[C@H]2COCCO2)c1 1286309152 OUASHIHKPWCFTK-OFVILXPXSA-N 483.569 1.792 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Br)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1286386602 DSFDAOZNXQADAL-AWEZNQCLSA-N 490.387 1.511 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286394754 PHJOGLBXTOORJV-AQNXPRMDSA-N 463.648 1.919 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCOCC1 1286446451 GDFCSYWHIUVGTR-OAQYLSRUSA-N 457.600 1.520 30 10 JDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CC[C@H](CO)O2)CC1 1286485071 BYNDZUPOWXBWKP-RBUKOAKNSA-N 457.600 1.874 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1286496570 ULJGVIDGTWBGMF-INIZCTEOSA-N 494.618 1.243 30 10 JDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286621363 CGJHFYHWWZBRBZ-MRXNPFEDSA-N 454.959 1.026 30 10 JDEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nn(C)c(=O)cc2C1)c1ccccc1 1286677833 KUNOKFKYMXUDCB-HKUYNNGSSA-N 497.625 1.905 30 10 JDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286770180 YNMRGSLHWWEPDS-UHFFFAOYSA-N 495.675 1.983 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](C(N)=O)C1 1286818178 CTTVGAQHKMWIDG-MRXNPFEDSA-N 455.544 1.043 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1286820067 DEFHGGUIJBTHOX-SJORKVTESA-N 465.551 1.965 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1286822351 IXJPOXZTMSPGLB-KRWDZBQOSA-N 480.660 1.976 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300488143 OXUXRGVHKKHNDN-CTNGQTDRSA-N 472.615 1.324 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300494096 YPYYUKNSFAZALN-QUCCMNQESA-N 457.604 1.482 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1300504387 MXDZYJHMDDIYAV-HZPDHXFCSA-N 463.585 1.075 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOC[C@H]1C 1300579004 LQTMZRFVQPWIGV-LJQANCHMSA-N 459.554 1.376 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c(F)cccc2Cl)CC1 1300699285 AVWNIGSXVONWLP-HNNXBMFYSA-N 451.955 1.776 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1300708261 PVNFIVCQVQPAOL-NRFANRHFSA-N 498.701 1.298 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCCN2CCOCC2)CC1 1300719004 KXOCWGMSBBKSKA-UHFFFAOYSA-N 466.586 1.642 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)c2ccccc2)CC1 1300719780 PTRZDUUEXGOBKQ-UHFFFAOYSA-N 466.567 1.713 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1300992143 UYBNVTPIMJHIJA-IBGZPJMESA-N 456.547 1.994 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1301223114 NAQQRNFTIRCURM-LJQANCHMSA-N 486.602 1.170 30 10 JDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1301421507 XVALKEMQAIHIJS-KRWDZBQOSA-N 477.587 1.637 30 10 JDEE C=CCn1c(N2CCN(CC(=O)NCc3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301473444 CGBHKEYANRLGQQ-VWLOTQADSA-N 468.602 1.943 30 10 JDEE C=CCn1c(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301473988 PWAVUAATPLKELR-URXFXBBRSA-N 462.639 1.736 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1301491891 QABFFUCFIHASRZ-UHFFFAOYSA-N 464.505 1.207 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1301492634 LSNURXBTUWUZPF-SFHVURJKSA-N 474.587 1.260 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1301501256 UJEJYFBWGDUBCA-MRXNPFEDSA-N 494.017 1.624 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1301508415 KNEKRAHATTYLAQ-UHFFFAOYSA-N 460.604 1.226 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1301530955 BPIQHBYFIUOXLO-NRFANRHFSA-N 468.602 1.995 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1301575812 KUBYPIJUJPQZEG-XUVXKRRUSA-N 494.639 1.668 30 10 JDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCN(C)C(C)(C)C1 1314388758 DMBJTVFHNWYOSL-UHFFFAOYSA-N 467.622 1.434 30 10 JDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1359037152 XOFXMYFATAXMID-QGZVFWFLSA-N 463.554 1.727 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cnnn2C)CC1 1359041585 BMHMKMMDKRJYFB-UHFFFAOYSA-N 486.378 1.189 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CCOCC)CC2)CC1 1359045974 ZDPPLBPVKPXBNW-LJQANCHMSA-N 477.631 1.353 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCO)CCOCC(F)(F)F 1359082593 NIGXTAOQRWYXCO-NSHDSACASA-N 456.263 1.515 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCNC(=O)OC(C)(C)C)CC1 1359179348 SJZKYNGKZYBOMH-SFHVURJKSA-N 498.650 1.928 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccccc1Cl 1359240382 MYWGSAYXJHQRCI-FXAWDEMLSA-N 469.995 1.794 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@]2(CCOC2)C1 1359329633 PGHBSUBVLOZDSR-JOCHJYFZSA-N 478.571 1.559 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC2CCCCC2)CC1 1359331891 KAGCNTWAYJDPCL-LJQANCHMSA-N 464.636 1.532 30 10 JDEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CC1 1359429914 AEOXXUPJPUWVTR-JOCHJYFZSA-N 481.601 1.680 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1503266235 GJAQNBHQWGLYRL-NHCUHLMSSA-N 488.614 1.903 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCN1CCCO 1507516369 BXGQQNGPFBXGRE-PKOBYXMFSA-N 473.647 1.851 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCSC1 1507537421 IDQTWGIIASLJEO-MRUHUIDDSA-N 451.593 1.912 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1507573237 FTZMAJPDICXPFD-KRWDZBQOSA-N 450.609 1.531 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCC[C@@]2(CCOC2)O1)[C@@H]1CCS(=O)(=O)C1 1507622436 JGKJPASIAOWWDJ-FGSXEWAUSA-N 450.605 1.931 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1507627986 LZSDMLAPSDYDIP-KNQAVFIVSA-N 457.556 1.231 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1507629478 UKGGJYHMHWEPDO-SFHVURJKSA-N 489.598 1.457 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507636085 YMJICDGZLBZZAV-SFHVURJKSA-N 484.548 1.775 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCOCC1 1507654111 VXJDRCZZHFCZJG-QFIPXVFZSA-N 467.595 1.134 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N(C)C)c1 1507711117 ODFFMUDVIHRWBA-LJQANCHMSA-N 459.572 1.016 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2csc(C(C)(C)C)n2)CC1 1507720061 CAUFAELLECOYAT-INIZCTEOSA-N 479.676 1.640 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCOCCS(C)(=O)=O)CC1 1507736397 KVRFCDMUUYKQOG-UHFFFAOYSA-N 477.562 1.111 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1507738960 JKZZZAZFUSRNNS-FQEVSTJZSA-N 482.560 1.625 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(F)(F)F)CC1 1507750618 APALOHMNALLQEC-OAHLLOKOSA-N 481.566 1.756 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC(=O)N(CCOC)C1 1507761233 HXFBNDNIZPTZKI-GAJHUEQPSA-N 451.531 1.412 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1507915569 CYQIIMWOKRFNOF-IAGOWNOFSA-N 466.608 1.024 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1507959079 MANGHYWSBCPAAP-MJGOQNOKSA-N 475.571 1.876 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOC2(CCOCC2)C1 1508072258 CTBSTQICPMOSAB-UHFFFAOYSA-N 457.531 1.650 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(C(=O)OC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508097616 JDJGBUAVDAQJMS-CALCHBBNSA-N 476.578 1.740 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1508139769 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1539306950 OBRPOWKYMNRWDA-FQEVSTJZSA-N 459.558 1.352 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC(=O)N(C)C)CC1 1539435830 CJDXBTGBHRPICT-UHFFFAOYSA-N 461.364 1.560 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)CC1 1539470755 YBVMHWOICNWLCZ-UHFFFAOYSA-N 452.584 1.898 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1539917075 QZHNJPIIVYHYJI-MOPGFXCFSA-N 496.678 1.954 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@@](=O)C(C)(C)C)C1CC1 1540110072 YUDRLNKNZJXPIY-HYDGNGQDSA-N 459.638 1.313 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1540871210 GTBYTEPSHPJFSO-VGSWGCGISA-N 459.572 1.234 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C1 1540892034 DOLXUSHHRPAPTP-BRWVUGGUSA-N 469.608 1.875 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N(C)CCN1CCOCC1 1540900310 RFIKZOUHARYMKU-UHFFFAOYSA-N 470.599 1.863 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1540902657 NUNAMWMOGDIBMA-IBGZPJMESA-N 491.589 1.761 30 10 JDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@H]2C)CC1 1548329751 AHBWQCTVVSPGGL-GOSISDBHSA-N 487.630 1.446 30 10 JDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1)OC 1555248621 GURJEBZUILAXGE-REWPJTCUSA-N 451.531 1.964 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc2c1OCCCO2 1555557818 DLANZKIXXWCOCM-SFHVURJKSA-N 475.571 1.756 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1587823197 LZYSMEHWKZHXFG-SFHVURJKSA-N 458.588 1.571 30 10 JDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(-n2cncn2)nc1)[C@H]1CCS(=O)(=O)C1 1588030682 ZOLVAFFKQSROBC-WMZOPIPTSA-N 454.560 1.442 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(C[S@@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1588045067 GOGUSICBIWHSBG-QTYPKTMWSA-N 485.635 1.837 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Cl)ccc1OC 1588139607 QBSXJKBKXKWQTI-IBGZPJMESA-N 477.974 1.394 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c(c1)OCCO2 1588384860 CQNURJRPYNRXCW-FQEVSTJZSA-N 475.571 1.084 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1588581487 TVLROQWSQVSUME-MRXNPFEDSA-N 451.980 1.966 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1588645691 BBIFCHCAJGBFJY-ROUUACIJSA-N 483.635 1.816 30 10 JDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@H](C)CN2CCOCC2)CC1 1588858184 YVLDJAXVGNMACB-JOCHJYFZSA-N 452.603 1.623 30 10 JDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1593660732 UIBXUTHPRZGPMR-UHFFFAOYSA-N 452.559 1.877 30 10 JDEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCN(CC)S(C)(=O)=O)CC1 1594218789 STQQVTOEQIQLQN-UHFFFAOYSA-N 485.618 1.995 30 10 JDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1595428288 MALMLMIIAZYWNM-NRFANRHFSA-N 458.632 1.842 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@@H](C)O[C@H](C)C2)cc1 1595614475 VIJBFLKGDZCXMG-OPYAIIAOSA-N 491.614 1.838 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC2CCOCC2)C1 1595728521 CIAAYWFSYHGSRS-VQTJNVASSA-N 483.635 1.599 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1595830782 GXDWTJJWHQMGBJ-NHCUHLMSSA-N 475.615 1.586 30 10 JDEE CC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H](c1ccc(C)cc1)n1cncn1 1623255701 FCAQAOHQCSEPHN-IRLDBZIGSA-N 452.540 1.921 30 10 JDEE C=CCOC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F)C(=O)OC 1655132737 ZLVXEIQPZQOFPI-GFCCVEGCSA-N 454.270 1.397 30 10 JDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2CC(=O)OC)CC1 1661608527 DQQQMDKLDBVIFB-UHFFFAOYSA-N 457.346 1.315 30 10 JDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCN(C)C(C)(C)C1 1689943766 BUJGULOCSDBNPW-UHFFFAOYSA-N 458.010 1.957 30 10 JDEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1CCN1CCN(C(C)=O)CC1 1690053086 XFFRLINQXFLAIO-UHFFFAOYSA-N 462.598 1.699 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)COc2ccccc2OC)CC1 1690109402 QCBMENCONMQLLJ-LJQANCHMSA-N 454.575 1.895 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(=O)NC2CCCCC2)CC1 1690115187 WFVMZFNSHCVEID-UHFFFAOYSA-N 498.653 1.943 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H](C)N2CCCCC2)CC1 1690146385 MJGMWRBPXHSNNP-FPOVZHCZSA-N 490.674 1.411 30 10 JDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COCC)C1 1690228786 FXRQXDWTJYDLSS-JKSUJKDBSA-N 492.440 1.773 30 10 JDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)N(C)C)CC1 1690305442 AGPIIDCFXHFJNK-UHFFFAOYSA-N 470.574 1.519 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690672667 ZJBKGOOGHSGYRW-FQEVSTJZSA-N 485.976 1.591 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2nccc(C(F)(F)F)n2)C1 1690686062 IUDPXQNDBLIWCX-ZIAGYGMSSA-N 489.524 1.721 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](CC)N2CCCC2)C1 1690699151 ABXLRLSHVDQZTO-ZCNNSNEGSA-N 482.651 1.267 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC2CCCCC2)CC1 1696592150 DMNVUKSMWAKDQZ-UHFFFAOYSA-N 492.628 1.866 30 10 JDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705509363 HZNDOKZIUNZXTK-IBGZPJMESA-N 479.628 1.622 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CC23CCOCC3)CC1 1705645534 WUUYSZFHHSBKSG-QUCCMNQESA-N 459.591 1.785 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCC(=O)N2)CC1 1705645930 KFZVMZVAKHHGPU-MRXNPFEDSA-N 458.925 1.982 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2ccc(OC)cc2)CC1 1705648724 XGBXFVQCZYNCAV-NRFANRHFSA-N 499.637 1.787 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705826741 IHPHKXKPXKDFIR-GOSISDBHSA-N 468.601 1.565 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Oc2ccccc2)C1 1705896837 ABLQRRHOYLFJOE-WMZOPIPTSA-N 462.576 1.238 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1705899784 HBARZFNPBMPIGI-IBGZPJMESA-N 468.606 1.109 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1705938712 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C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@](C)(O)CC)CC1 1740692855 PVDUZWXBKMBOAC-QFIPXVFZSA-N 459.620 1.463 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1740717535 VFYQVAZGJMWOSD-UWVAXJGDSA-N 453.634 1.746 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1740833958 ZVYYVBWHQOPMSP-IEBWSBKVSA-N 481.667 1.233 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCN1CCN(C(C)=O)CC1 1740914968 PIUAVTWVVMQUQI-UHFFFAOYSA-N 473.585 1.907 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1740941009 ZLXWMOWWDRLXAX-OKZBNKHCSA-N 466.608 1.072 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1740950627 BGPWKYNKNCTWKK-IRXDYDNUSA-N 476.603 1.707 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1740950963 NWSKDZFPAZPAIW-QGZVFWFLSA-N 472.525 1.258 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1740988244 YCQSHVSPPPPAPU-UHFFFAOYSA-N 490.630 1.582 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740989300 IHOSBRLDGKNEPY-OAHLLOKOSA-N 488.035 1.717 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(N2CCCNC2=O)CC1 1740989700 VQFMAYUTQKZNOP-UHFFFAOYSA-N 459.576 1.325 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1741798659 DBMUSZYPOILVHB-HOTGVXAUSA-N 484.586 1.212 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCOC2)C1 1741983000 DEXSTYCDTPWIQZ-ABSDTBQOSA-N 452.581 1.168 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCN(C(C)=O)C2)c1 1748692979 UMFUVXZPRCNCBK-TZIWHRDSSA-N 477.569 1.544 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCOc2ccccc2C)CC1 1748978988 VKMMXWAQNFLXAH-IBGZPJMESA-N 460.604 1.421 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCN(CCC)C2)CC1 1749001010 DUOWQYDHANCSHG-LJQANCHMSA-N 478.601 1.623 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCC2(O)CCOCC2)CC1 1749015559 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C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCN2CCCO[C@@H](C)C2)CC1 1760268299 HOHTUPHJWXXSIQ-IBGZPJMESA-N 453.591 1.740 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760323813 GUSKKLNDCYJCQU-DYESRHJHSA-N 480.635 1.242 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(c2ccccc2)CC1 1760346367 VMRJKEJCPANJPU-FQEVSTJZSA-N 460.604 1.904 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCNC(=O)C2CC2)C1 1770726178 BZURGHPGKWVEAE-NRFANRHFSA-N 459.913 1.830 30 10 JDEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCCCC2)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865729567 ICXBSFCGFOJDGO-QGZVFWFLSA-N 452.511 1.356 30 10 JDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1c(F)cccc1Cl 1865729665 SCSCNMJRVOZPLA-OAHLLOKOSA-N 460.893 1.772 30 10 JDEE C=CCn1cc(OCCN2C(=O)c3ccccc3C2=O)c(=O)cc1CN1CCC(CO)CC1 1870378452 YFCVGXLTGORIKC-UHFFFAOYSA-N 451.523 1.914 30 10 JDEE C=CCNC(=O)c1nc(C(=O)N(C)C2CN(c3ccc4nnc(C5CCC5)n4n3)C2)cs1 1890110509 RALKCOKERVBQMR-UHFFFAOYSA-N 452.544 1.725 30 10 JDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1 1892044083 SJTRHWZGKCDNQD-WBVHZDCISA-N 460.516 1.176 30 10 JDEE CO[C@H](CCNC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256622322 FZQBMOKPNYLIDJ-CYBMUJFWSA-N 455.386 1.988 30 10 JDEE CO[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256669662 SNRYCNJCLSQLNO-SWLSCSKDSA-N 455.386 1.987 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(CCC(C)(C)O)Cc1ccccc1 2267363929 QNDLUVQYGFALET-UHFFFAOYSA-N 464.397 1.466 30 10 JDEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCN1C(=O)OC(C)(C)C 2267374348 QBCLIKRTVJXRCA-AWEZNQCLSA-N 470.401 1.349 30 10 JDEE CC(C)(C)OC(=O)N1CC(CO)(NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2267470883 CCVRFUQNPFEGAX-UHFFFAOYSA-N 488.437 1.449 30 10 JDEE Cn1nc(C(=O)N2CCOCCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267500122 DKHOJTYZHAGSCL-UHFFFAOYSA-N 470.763 1.997 30 10 JDEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267517698 XCFGGAMMVOZGRA-NRFANRHFSA-N 450.345 1.201 30 10 JDEE Cc1c(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)C[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281804471 LZJHNDVBAYEIOF-DGCLKSJQSA-N 458.290 1.699 30 10 JDEE COC(=O)C1(NC(=O)OC(C)(C)C)CC(NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2281808245 UYAVAFKJBZMFBM-UHFFFAOYSA-N 481.380 1.771 30 10 JDEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(Cl)c2)C1 2282412853 VYSIRZLNGAUYAG-UHFFFAOYSA-N 479.770 1.844 30 10 JDEE Cc1nc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282508544 XTUNVCLBPMQYKJ-HIFRSBDPSA-N 484.428 1.561 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1 2282540413 JMNOEJAXFYXZFO-OAHLLOKOSA-N 464.372 1.475 30 10 JDEE Cn1cc(C(=O)NC[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282546412 LYTAIEGDGNCYLN-QFIPXVFZSA-N 464.372 1.211 30 10 JDEE Cc1ccnc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c1B1OC(C)(C)C(C)(C)O1 2282572903 RMWORNKWSONRBK-MRXNPFEDSA-N 461.368 1.743 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)Nc2cnn(CCNC(=O)OC(C)(C)C)c2)n1 2282643623 DABCQLMGPJRVNC-UHFFFAOYSA-N 461.332 1.088 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CCOC[C@@H]1OCc1ccccc1 2282854712 VGIBUHQOCMQKGW-OALUTQOASA-N 477.392 1.372 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](F)C1CN(C(=O)OC(C)(C)C)C1 2337193452 VLYBRDQZDPJKML-AWEZNQCLSA-N 452.336 1.654 30 10 JDEE Cc1cc(CNC(CO)(CO)CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2343581693 XJEHRAWOIYQDRC-UHFFFAOYSA-N 450.385 1.632 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)N1CC[C@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2357337369 SJYKAOQQKBIVBL-GUGCWIDBSA-N 466.384 1.802 30 10 JDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@H]1c1c(O)ccc2ccccc12 72443749 QMDNKHWSFTWNOD-MAUKXSAKSA-N 458.478 1.554 30 10 JDEE C=CCN1C(=O)/C(=C/C(=O)OC)SC1=Nc1ncn(CC(=O)OCC)c1C(=O)OCC 254625775 YCXKXKJSOXWQDP-SXSQRZHDSA-N 450.473 1.429 30 10 JDEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)o1 1084312753 NUAOGAVPXZITCU-UHFFFAOYSA-N 476.435 1.421 30 10 JDEE CN(C)S(=O)(=O)c1cc(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1F 1205077218 FWMFFMLUCDJXNM-GOSISDBHSA-N 459.503 1.870 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1286349044 CZXMRQAAYWZPOX-QFIPXVFZSA-N 497.625 1.906 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1286388353 NSXCHWVWKFCHFF-SFHVURJKSA-N 484.969 1.767 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286391393 DCXTWNIWLHQBJY-OAHLLOKOSA-N 465.526 1.252 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCS(=O)(=O)C1 1286420787 KJLYCPHPBZMNCY-QGZVFWFLSA-N 460.581 1.246 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCC(O)CC1 1286420796 KWXSXVORTZPXNY-UHFFFAOYSA-N 469.611 1.658 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1286431445 VTMBXIQGRZMRHQ-FYQPLNBISA-N 482.585 1.717 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(NC(C)=O)nc2)CC1 1286473743 WBSRPDUZQPBDRF-HSZRJFAPSA-N 453.547 1.087 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2cccc(C(F)(F)F)n2)CC1 1286480386 NBDBVKYERGSXOJ-INIZCTEOSA-N 498.531 1.428 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC(=O)NC)CC1 1286488918 YEFPNQQTLXSGLI-UHFFFAOYSA-N 460.485 1.648 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2COCCO2)CC1 1286495169 XEWBFOGNNZVXJI-JOCHJYFZSA-N 467.570 1.453 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)Cc1ccc(F)cc1 1286726900 KKDXMPLKZVAMPT-IBGZPJMESA-N 466.583 1.504 30 10 JDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCCS1(=O)=O 1286767011 CBJYSBUPAJLJPA-UHFFFAOYSA-N 463.560 1.391 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1286767795 GNBYYZWNSJTUSE-QMHKHESXSA-N 454.531 1.371 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](Cn2cccn2)C1 1286781138 VAFLXRTWJJKMBC-ROUUACIJSA-N 469.521 1.961 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286784759 SKZLPSGFPDVVSH-UHFFFAOYSA-N 476.603 1.506 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)OC(C)(C)C1 1286789256 BJYBRTUMQSWSLE-NRFANRHFSA-N 481.645 1.949 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1286821645 RDFMWFCJANCHMV-UHFFFAOYSA-N 460.604 1.748 30 10 JDEE CC(=O)N1CCN(CCn2c(CC(C)(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CC1 1286891376 YUQRMPIPYVHIFP-UHFFFAOYSA-N 466.590 1.566 30 10 JDEE C[C@@H]1CCCN(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)C1 1291125910 DDHHHUMETUBPRF-MJGOQNOKSA-N 458.588 1.809 30 10 JDEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1298104642 FHNQGIKREMKKLU-UHFFFAOYSA-N 498.613 1.738 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)C(=O)NCC2 1300650985 XUWNPILZNHMQDV-UHFFFAOYSA-N 459.510 1.346 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCN2CCCC2)CC1 1300710509 DKKGWUFYIQGLDZ-BGYRXZFFSA-N 457.623 1.900 30 10 JDEE CO[C@@H]1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1300746636 GNZMXEQQXMWVJZ-NJYVYQBISA-N 488.614 1.934 30 10 JDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1300766866 MMYCQKGGBSJCAB-QHCPKHFHSA-N 483.686 1.862 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nccc(C(F)F)n2)CC1 1301087242 YSOGQXBBPWDKAC-HNNXBMFYSA-N 469.518 1.543 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1301509289 FSGGAZWQEZWCKB-IBGZPJMESA-N 487.568 1.579 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1301596497 QJGGUMLBEHCOPS-VAMGGRTRSA-N 492.646 1.899 30 10 JDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCc3ccc(S(=O)(=O)N4CCCC4)cc32)CC1 1307533101 BOGYJHKEEBYZKB-QFIPXVFZSA-N 459.616 1.526 30 10 JDEE C#CCN(C)CCCNC(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 1312789953 UOISZWFJIADOJF-UHFFFAOYSA-N 455.481 1.806 30 10 JDEE CCN1CCCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1313908627 AARQCOVOKGNDPV-WOIUINJBSA-N 479.651 1.615 30 10 JDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1cccs1 1314873447 DLZWZTVNMNAKBY-FQEVSTJZSA-N 460.585 1.771 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(-n2cccn2)cc1)[C@@H]1CCS(=O)(=O)C1 1358956077 ZSIWFOPTLPNYOO-HXUWFJFHSA-N 481.582 1.277 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC[C@@H](C(F)F)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358958660 TWKYNFUDTFFRLN-ROUUACIJSA-N 497.568 1.829 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358965385 UIIRGTAWGQJNBE-SFHVURJKSA-N 458.588 1.053 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCO[C@@H]1CCCC[C@@H]1C 1358994712 UXUIVADZGNPQGS-HBMCJLEFSA-N 477.631 1.669 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(Cl)c1 1359009941 CENMESSUNHJKLO-GOSISDBHSA-N 467.979 1.781 30 10 JDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC[C@@H]1C 1359022824 NXASREVWTCKHHA-SFHVURJKSA-N 459.620 1.809 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[S@@](=O)CC)CC1 1359036072 LZTAFQYGZOMIPD-XHVUARLKSA-N 480.635 1.110 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(OC)c2OC)CC1 1359042009 OHSHSCPGKJFRLP-SANMLTNESA-N 497.596 1.962 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCn2nc(C)nc2C1 1359127871 CLPFDURXSCMKDF-UHFFFAOYSA-N 486.602 1.708 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)C1CCCCC1)C1CC1 1359251834 WYBLZFALAQDTJH-IBGZPJMESA-N 480.635 1.557 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(N2CCNC2=O)CC1 1359294297 PSTORQSKTAPLRJ-UHFFFAOYSA-N 469.546 1.259 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@]3(CCC(=O)N3)C2)cc1 1359306701 OFIXESRKLULRBP-KSFYIVLOSA-N 474.587 1.360 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)COC)CC2)cc1 1359308041 BMROVIUDTDLHOA-IBGZPJMESA-N 489.598 1.088 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1359311844 JJOHLTJSJAJAST-AUSIDOKSSA-N 489.598 1.478 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359330573 WUJVBIDMDHKIBR-UHFFFAOYSA-N 474.587 1.016 30 10 JDEE CC(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1)N1CCOCC1 1359665477 APIFLCXNNUQIAU-UNMCSNQZSA-N 481.601 1.787 30 10 JDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 1435716981 CYBKCUOVGMTBSO-DZGCQCFKSA-N 454.321 1.850 30 10 JDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1 1449538810 GSTJQSULHHKUTD-PXAZEXFGSA-N 457.430 1.973 30 10 JDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1503371199 HQAROCJVCTYMDH-UHFFFAOYSA-N 475.557 1.285 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507527068 GBDLIXBJGXODKV-QZTJIDSGSA-N 453.572 1.870 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCNC(=O)C2CC2)c1 1507548715 VIFJXISQEIGZSV-UHFFFAOYSA-N 463.542 1.097 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCOC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1507623089 QTZYHRAYXHLLJL-GOSISDBHSA-N 463.604 1.490 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)N1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1507631150 MNNDPYITKHNMGD-LJQANCHMSA-N 489.646 1.195 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1507640591 UEPLSMALBWPNEE-GOSISDBHSA-N 484.582 1.980 30 10 JDEE C#CCN(CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1507685969 ZBTGCHUASYKFPG-JOCHJYFZSA-N 462.572 1.752 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)c(OC)c1 1507689610 LHEYATYIEZOYIX-GOSISDBHSA-N 467.979 1.781 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1 1507796023 GHVPUPUREFQYPO-GGPKGHCWSA-N 490.605 1.894 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1508148013 PDEHNWYBXPLRNZ-GOSISDBHSA-N 484.630 1.587 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1508149235 RHFFTKPDGBRQSC-QFIPXVFZSA-N 499.634 1.588 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cnccn2)CC1 1508149276 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YIZFPFUXDHYLNA-UHFFFAOYSA-N 464.595 1.025 30 10 JDEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C#N)c(Cl)c1 729672203 BQWYYLURJBSHIF-UHFFFAOYSA-N 460.906 1.321 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1286381796 HFEMQXBOXGDGBH-PGRDOPGGSA-N 450.605 1.993 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1286385295 MIMZIULUPLIOHG-WBVHZDCISA-N 489.989 1.875 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1286395836 OLAADJOZEBHCTD-HXUWFJFHSA-N 470.603 1.431 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1286398019 VVSDGWBZPIVDFT-INIZCTEOSA-N 499.515 1.471 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCS(C)(=O)=O 1286426067 IMENNNWQKNLATC-UHFFFAOYSA-N 452.540 1.090 30 10 JDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCNC(=O)C2CC2)CC1 1286485728 WCUTXHDONVSXRN-UHFFFAOYSA-N 454.600 1.860 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC[C@@H]2COCCO2)CC1 1286494410 OBJVLPWWBUJZFA-JOCHJYFZSA-N 451.571 1.835 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(CC)n1 1286521745 CALGWHSTPZNFIE-OXQOHEQNSA-N 464.617 1.670 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1286592574 LPCDWIZZASRRDE-PKOBYXMFSA-N 469.608 1.209 30 10 JDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1286712254 UWADBVGYAQGBPU-SFTDATJTSA-N 460.623 1.898 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1286786321 BOWYEZKZWFCNKI-PXNSSMCTSA-N 451.531 1.673 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnc(C)s1 1286820381 KMUIHGQENVTCFD-CQSZACIVSA-N 459.619 1.182 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1286823352 VANCZKZSSZXSDK-MRXNPFEDSA-N 478.644 1.730 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)C2CC2)CC1 1286832500 UKEDSQANGPQJFG-SFHVURJKSA-N 498.675 1.025 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCNS(=O)(=O)CC)c1 1300334268 JOBOIGURZFLLNA-SFHVURJKSA-N 474.587 1.168 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCN2CCCC2)cc1 1300459503 SYYFTECFXDDBAH-HXUWFJFHSA-N 457.600 1.773 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCCN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1300497425 BGDORWXVKPHFAN-FQEVSTJZSA-N 450.653 1.131 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1300575234 UNVBZNYVDSITEY-UYAOXDASSA-N 455.588 1.346 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(OCC)c2)CC1 1300711400 ZNWVXVGNEJRISJ-UHFFFAOYSA-N 452.559 1.829 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2cnn(C)c2)CC1 1300712111 MLWJVTDOYNHKOL-UHFFFAOYSA-N 494.987 1.609 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2CCN(CC)CC2)CC1 1300718843 YGTPXGWZKCDVHD-UHFFFAOYSA-N 499.063 1.987 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccnc2OCC)CC1 1300723662 YVBVSSAEZBPWJJ-SFHVURJKSA-N 451.531 1.037 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(NC(C)=O)cc2)CC1 1300728589 ANVLGULLVRAYQU-UHFFFAOYSA-N 491.596 1.567 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1300732297 MCZXVHKLWYEGGT-UHFFFAOYSA-N 455.588 1.208 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1300951957 BTFOVUNZQSIEGY-FHWLQOOXSA-N 482.651 1.708 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1301491011 BYXPUULQQWGZHB-UHFFFAOYSA-N 471.587 1.417 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(NS(=O)(=O)CC)CC1 1301508112 DTLAOEUDEFUKBM-UHFFFAOYSA-N 485.614 1.561 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301520374 XDWMIVWOHUMTER-VBURHUQHSA-N 475.594 1.313 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CCCC2(C)C)C1 1301557617 QHQQFKNKLJOLDF-KGVIQGDOSA-N 483.635 1.334 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCC1CCOCC1 1301588543 GVUPLRZGHXFTHQ-QGZVFWFLSA-N 460.622 1.034 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)CC1 1301761141 YBJONZRMOKRFNE-UHFFFAOYSA-N 463.498 1.307 30 10 JDEE CC(C)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1303262282 DMCGKVGHBKVQPE-UHFFFAOYSA-N 494.644 1.528 30 10 JDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)C1 1316342959 FNNDODBTKKGAFM-QGZVFWFLSA-N 470.580 1.932 30 10 JDEE C=CC[C@]1(C(=O)N(CC)CC(=O)N[C@@H]2CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 1348580398 CWATXRWOEABUJE-IIBYNOLFSA-N 457.593 1.484 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1358871482 GDKKJKBXRAEIGD-OWCLPIDISA-N 456.613 1.849 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1358962039 JCKCCDJSKWMXBT-WMZOPIPTSA-N 461.975 1.752 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCN(C(C)=O)CC1 1358994901 YRBBAQOTXZPCPF-HSZRJFAPSA-N 462.554 1.418 30 10 JDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC(=O)N1CCN(c2ccccc2)CC1 1358997555 XFKDNQGRNNLRML-UHFFFAOYSA-N 473.581 1.212 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCn2cncn2)CC1 1359040055 GIUNVYSFLGGWAI-UHFFFAOYSA-N 495.975 1.119 30 10 JDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1359057263 WBBYUKJWUTUMTM-FCHUYYIVSA-N 476.691 1.770 30 10 JDEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C(N)=O)CC1 1359060221 NZKHWUBCWFOTDO-UHFFFAOYSA-N 481.670 1.711 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1359092299 ZGKGODDALUXKRX-ATOXUGOLSA-N 469.608 1.254 30 10 JDEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)(=O)CC1 1359132569 AKDVENMGLVDPPU-QGZVFWFLSA-N 485.607 1.414 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1359132971 IUCPIJUHOFZKNN-VAMGGRTRSA-N 467.636 1.320 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1359133115 LVAYEYQSXLBVPB-DLBZAZTESA-N 455.581 1.488 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1359227762 LCIVSTPHOZAYDA-NRFANRHFSA-N 494.706 1.768 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1359270744 AKCIVKSDKUOLJM-FQEVSTJZSA-N 450.591 1.993 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(N(C)c2ccccc2)CC1 1359303813 BOUHSIUYGCJPGB-UHFFFAOYSA-N 451.575 1.808 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(NS(=O)(=O)CC)CC2)nnc1C1(c2ccccc2)CCC1 1359305552 GNLIIOQAHIATLF-UHFFFAOYSA-N 486.642 1.958 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1359330488 SZCKSOKFHSOECR-UHFFFAOYSA-N 484.557 1.929 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC1(N2CCCC2)CCOCC1 1360644884 FDEAFYRNWPOOSG-SJORKVTESA-N 453.613 1.272 30 10 JDEE CN(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)c1c(F)cccc1F 1503380481 HQUOLZXWWMXOGA-IIDMSEBBSA-N 480.541 1.490 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1507575979 VDWJWPGQAFGXHI-QGZVFWFLSA-N 478.594 1.772 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1507622159 GNQJRMOEEMOGKQ-RBUKOAKNSA-N 486.598 1.901 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1507628187 GTGBFWXMFNPDMC-IBGZPJMESA-N 464.551 1.375 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1507709139 SGQHTABSYVEBLI-AZUAARDMSA-N 458.588 1.630 30 10 JDEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@H](C)COC)CC1 1507718172 CJWWCTJNRDETLZ-QGZVFWFLSA-N 459.620 1.584 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1507731916 DXHMDQMTMRJBNC-QFIPXVFZSA-N 452.603 1.768 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCS(C)(=O)=O)CC1 1507734599 PWTUMWDDFVDQKW-UHFFFAOYSA-N 495.609 1.736 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1507739409 BFWGFTUPIVNGCM-FQEVSTJZSA-N 499.637 1.874 30 10 JDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507848190 HLTKLRZELDZFDS-UFYCRDLUSA-N 463.579 1.422 30 10 JDEE C=C(C)COCCn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OCC)CCOC1 1507848935 QJENGQHQCHKNHX-JPYJTQIMSA-N 476.578 1.290 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2Cc3ccccc3C2)CC1 1507852942 FGUNZOLQOXWGJW-INIZCTEOSA-N 465.023 1.930 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(N2CCNC2=O)CC1 1508087558 TVPFSXGSRAGXHV-UHFFFAOYSA-N 453.547 1.174 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cc1 1508097492 QMCQEAJYRBQEOJ-MAUKXSAKSA-N 483.616 1.125 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CC2(O)CCS(=O)(=O)CC2)C1 1508112257 NMSLODWYJWAFIP-MRXNPFEDSA-N 450.536 1.805 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1508144167 RBUZCNQTKSQURR-SFHVURJKSA-N 484.630 1.988 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCC(=O)NCc1ccccc1 1510186355 HDHYKJIONRIMHS-KRWDZBQOSA-N 473.603 1.725 30 10 JDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1515056183 CEERLFADLPODPK-UHFFFAOYSA-N 459.576 1.251 30 10 JDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1539132659 QBNRNCIPYODQLX-TZIWHRDSSA-N 455.607 1.193 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1539212566 QQAIMWVIJHCUTJ-KRWDZBQOSA-N 481.047 1.669 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1539216678 VPROWSPPXDPJTD-KRWDZBQOSA-N 456.503 1.580 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1539230512 NJVXLFLELKTUDV-HXUWFJFHSA-N 468.583 1.791 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1539231629 WJAICFQQVKRRMC-IEBWSBKVSA-N 457.556 1.638 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1539344072 WUXBJVSTKAOGFY-HZPDHXFCSA-N 454.597 1.747 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(N(C)C)c2)CC1 1539467110 MYDATBTYOBSNLB-UHFFFAOYSA-N 463.586 1.594 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1539477723 WTIDUQBXJWABEX-XMMPIXPASA-N 465.533 1.691 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)COC)CC1 1539642625 IUUHFTWKQGGGLH-HTAPYJJXSA-N 460.579 1.113 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1539750622 BKSWQUYUUGLXNC-MRXNPFEDSA-N 493.552 1.668 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1540908049 OYIWQLULWWQTOU-ULQDDVLXSA-N 495.568 1.676 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2COC)c1 1558753817 YUMPNPHIHGHJSE-QGZVFWFLSA-N 451.545 1.306 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1587621416 UDEPTUXZKHDBSQ-WAIKUNEKSA-N 484.582 1.243 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccnc2)c1 1587693977 YWLKDNVXDXVPDF-FQEVSTJZSA-N 478.578 1.874 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@@H]2CC[C@H](CO)O2)c1 1587697340 OCCSEPNCPKVKGU-FCHUYYIVSA-N 460.538 1.860 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588034691 KMOZDPSKYWWZGN-KVSKMBFKSA-N 477.612 1.403 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1588070265 XQAJLDBFVAPJKQ-NRFANRHFSA-N 483.638 1.996 30 10 JDEE CN1C(=O)C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@H]1c1cccc(F)c1 1588157689 FYFGXVDMXUERGE-RBBKRZOGSA-N 470.526 1.750 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCN(C)CCOC)CC1 1588806137 HTWLLJSOKMLLLI-UHFFFAOYSA-N 478.601 1.008 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(NC(C)=O)nc2)CC1 1588865309 SPRQRKQXWUNCDU-UHFFFAOYSA-N 470.537 1.886 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(N(C)C)cc2C)CC1 1588961510 BJANQLGDMWKVPI-UHFFFAOYSA-N 477.613 1.789 30 10 JDEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1588984238 GSQXWKMNRPWFEI-HNNXBMFYSA-N 475.644 1.580 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1588985920 XHPSUQRCFXJKSA-OKZBNKHCSA-N 455.650 1.898 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)COC)CC1 1589036806 OUDHQYCGHBLOJU-UHFFFAOYSA-N 459.572 1.624 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1589483727 QCSHABDHUIKFBW-UYAOXDASSA-N 467.574 1.755 30 10 JDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCNS(C)(=O)=O 1593636467 MGKCFOFVSKGZAJ-HNNXBMFYSA-N 458.585 1.148 30 10 JDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1593777397 ZFKOAYLKQXJVHE-RTBURBONSA-N 469.608 1.353 30 10 JDEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1593887210 XWZCNSJJYIAPKK-HUUCEWRRSA-N 467.958 1.553 30 10 JDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(S(=O)(=O)NC)c1)C1CC1 1595054828 RWYOHTVRRUFQIA-MRXNPFEDSA-N 465.601 1.291 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@H](CO)O1 1595262046 YYGWDYDBLAUDGJ-YTQUADARSA-N 450.561 1.548 30 10 JDEE CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1618844313 ACMSYZGOKJKWBW-QGZVFWFLSA-N 460.560 1.251 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C2CCCCC2)CC1 1684853670 OUHYFSZSTNHBQS-HXUWFJFHSA-N 458.588 1.979 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1689983492 CHTLJKINCSCQMY-IBGZPJMESA-N 487.607 1.411 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)COCCO1 1690019947 VNDWHVDLOJXXGG-JPYJTQIMSA-N 459.547 1.465 30 10 JDEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1CC1(O)CCS(=O)(=O)CC1 1690052970 VPRUFWLPWCRLOL-UHFFFAOYSA-N 465.579 1.684 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)CCOC 1690202746 CYEVMJQZVZXCRJ-DNQXCXABSA-N 450.543 1.972 30 10 JDEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCN(C)C2)CC1 1690375821 VFYASGGMXCYPQG-FDDCHVKYSA-N 462.595 1.810 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(c2ccnn2C)CC1 1690662634 BUOKSLBUIMYCLH-UHFFFAOYSA-N 483.598 1.768 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN(C)C(=O)OC(C)(C)C)C1 1690685892 FONZDUWQSDAITK-JKSUJKDBSA-N 472.612 1.537 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(S(=O)(=O)CC)CC1 1690720309 FMQZAGIXJKGOOH-UHFFFAOYSA-N 482.628 1.958 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(F)cc(F)cc2C1 1690724356 MZOGAKXCVMHURY-CQSZACIVSA-N 486.566 1.622 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1705480303 TUMLRCNEOFHIHF-BSRJHKFKSA-N 454.579 1.889 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1705569585 IKJMYZHRUIWPBN-QAPCUYQASA-N 478.644 1.565 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCC[C@H](O)C1 1705626840 KSYAHEZKCWQFNH-ROUUACIJSA-N 450.543 1.829 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCN(C(=O)OC)CC2)CC1 1705641992 BVSAWMHEQCJTIS-UHFFFAOYSA-N 477.569 1.962 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@]2(N(C)C)CCSC2)CC1 1705647492 FOIIMGCBTDAURH-XXBNENTESA-N 460.648 1.923 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1705650951 DTGCHEMLCVGDPO-UHFFFAOYSA-N 493.612 1.987 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccco2)C1 1705737493 SJIKMHMNISCYCK-PKOBYXMFSA-N 465.576 1.791 30 10 JDEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705848384 ITLZHFVVAHCYQY-SFHVURJKSA-N 471.377 1.791 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1705901220 FJEYYIWFBYUYHQ-QGZVFWFLSA-N 475.594 1.757 30 10 JDEE CC(C)Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCNS(C)(=O)=O 1706419680 GIVDRJDXRBJVHP-UHFFFAOYSA-N 459.620 1.610 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1 1711073594 AIPUJBAESAMGFL-UGKGYDQZSA-N 474.587 1.280 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2Cc2ccc(C(N)=O)nc2)c1 1722309529 OUVCJPHCOQEJRC-IBGZPJMESA-N 473.537 1.771 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1722358824 LZPUEMVYNSBCSR-YADARESESA-N 498.609 1.252 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1722364202 FDPBVKKQBTWFQF-GOSISDBHSA-N 471.612 1.683 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1722364649 IUPMYKWABBAVGQ-IRXDYDNUSA-N 480.537 1.579 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1722368047 YNBBAAWTQYWPOL-AUSIDOKSSA-N 474.583 1.310 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722369698 DTRGZMYPJKYGGP-LJQANCHMSA-N 473.599 1.579 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722372039 OHLKNSOSZHAUBW-FZEVHQGJSA-N 480.660 1.314 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCn1cc(CO)nn1 1722394993 MEDWNTVEBADQRU-UHFFFAOYSA-N 455.526 1.972 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC[C@@H]2COCCO2)CC1 1722435578 KYHYUDXGVLBUMJ-HXUWFJFHSA-N 455.559 1.913 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCCC2(C)C)CC1 1722440373 IGXSZJMRGQBTOH-HSZRJFAPSA-N 456.616 1.966 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(NC(C)=O)nc2)CC1 1722441488 RJEHSIAHLOREMX-FPOVZHCZSA-N 453.547 1.159 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CCCO2)CC1 1722462951 ZLLNMWGKKUHAOP-RBUKOAKNSA-N 483.660 1.373 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722519693 OTFKAXDTDBMFKZ-UHFFFAOYSA-N 467.617 1.785 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1ccccc1CC 1722523431 TWSGYMQIWCRBTL-IBGZPJMESA-N 476.603 1.824 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@]2(CCOC2)C1 1722530454 FQHMQVXZJLGWIM-JOCHJYFZSA-N 462.572 1.937 30 10 JDEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCN(C(C)=O)CC1 1722533919 FJUAEJOVZHZQTO-UHFFFAOYSA-N 475.619 1.890 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1722692663 ULJOKBJYDHOHSE-UHFFFAOYSA-N 459.526 1.193 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1722693930 FXWLAWCWQJPTIF-OAHLLOKOSA-N 461.364 1.972 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCC(C(=O)NC)CC1 1722703828 JCSRMBWHGNYPFW-UHFFFAOYSA-N 458.588 1.844 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC(S(C)(=O)=O)CC1 1722729878 ZUUSHMQBXACGMO-UHFFFAOYSA-N 482.628 1.492 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1740620574 QLWLWXXRYAAMFC-IBGZPJMESA-N 454.556 1.671 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCOC1 1740678925 LGJJHCWKJCPCMN-FPOVZHCZSA-N 491.589 1.817 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1740710913 DLSYWEJWCPMSMQ-GOSISDBHSA-N 477.612 1.056 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CC)C1 1740762927 XCVYESJMWXBUGL-YRXWBPOGSA-N 469.608 1.207 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@H]1C 1740887169 DOMJGRMVHXUNPP-IAGOWNOFSA-N 457.597 1.207 30 10 JDEE C=CCS(=O)(=O)CCn1c(N(C)C2CCN(CCn3cccn3)CC2)nnc1C(C)(C)C 1740994178 NUBKXFJPKJNIKM-UHFFFAOYSA-N 463.652 1.974 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1741002112 GDAIYKCRSZIDHS-CVEARBPZSA-N 462.663 1.503 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1748819714 SCNNKWMLIGHVJU-FQEVSTJZSA-N 468.583 1.791 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCOCCN(C)C)CC1 1749009533 SEFQARLCDCEHMY-UHFFFAOYSA-N 463.586 1.970 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cccc(OCC)c2)CC1 1749010189 OWCQYBMIEJVMPQ-NRFANRHFSA-N 464.570 1.836 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](CC)N2CCCC2)CC1 1749020152 MZQYUJHZIIQSQU-FKBYEOEOSA-N 472.634 1.842 30 10 JDEE C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749027023 VIOAZUFWMPNZBV-GOSISDBHSA-N 498.609 1.256 30 10 JDEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1749199375 NPIHJJQUXGBVFE-LJQANCHMSA-N 463.608 1.347 30 10 JDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1749199593 UZXCMBPARICIFP-UXHICEINSA-N 457.623 1.794 30 10 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C#CCN(c1nnc(C2CCCC2)n1C[C@H](C)N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1705564091 AAAQFHICDYDOBL-PZJWPPBQSA-N 462.664 1.588 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1705568076 GSHBMBCLMDAJTJ-SFHVURJKSA-N 469.571 1.277 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1705570302 OGPKHUYIEOMQRP-OALUTQOASA-N 496.559 1.775 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC(F)(F)F)c1 1705582877 LMDYHHUEMCQQTQ-INIZCTEOSA-N 467.473 1.637 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCc1nc(C)cs1 1705597417 FEMAYDHNPXKBRB-IBGZPJMESA-N 490.655 1.862 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@](C)(O)C(C)C)CC1 1705645152 MIUXKHVLTFPKAV-BJKOFHAPSA-N 461.607 1.692 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705693998 MYOQDHOWBVSLGO-AEFFLSMTSA-N 466.608 1.013 30 10 JDEE C=C(C)COCCn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705740089 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C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1722371591 XCHUGUHTZSVCGI-TUFLPTIASA-N 493.674 1.749 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC 1722400508 RMKZDLGZUSTMEN-GOSISDBHSA-N 478.619 1.405 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(CS(C)(=O)=O)CC1 1722405440 CILAHXQXJBYASG-UHFFFAOYSA-N 479.628 1.480 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)CN2CCOCC2)CC1 1722434517 UHHMRPYNQGIHOX-FQEVSTJZSA-N 468.602 1.686 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[S@@](=O)C(C)(C)C)CC1 1722441426 PZVOFUZBVJTOBX-JGCGQSQUSA-N 462.620 1.027 30 10 JDEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(OCC(N)=O)CC1 1722486583 AIXDFSSACHEWOI-UHFFFAOYSA-N 452.357 1.519 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1722702577 QAKKOVYNLFETFH-UHFFFAOYSA-N 466.542 1.508 30 10 JDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)cc1 1722705900 JQOZJAVOBQCNFV-UHFFFAOYSA-N 471.587 1.763 30 10 JDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCCC(=O)NC1CC1 1726447149 AFWMPNRYKUSSPJ-INIZCTEOSA-N 451.531 1.454 30 10 JDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1729304201 ALPGKGRKPWQLDM-UHFFFAOYSA-N 464.574 1.039 30 10 JDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC(C)(C)C2)cc1OC 1730095303 GZRDFZTXYMZXCP-SFHVURJKSA-N 456.547 1.802 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(=O)N(C)C)cc1 1740551983 MPCWYNWTQCAQEI-LPHOPBHVSA-N 489.602 1.211 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1740580834 JMIBHXJXVBHDCF-NRFANRHFSA-N 480.617 1.570 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1740622964 LQZYVOLYQWHJMQ-ICSRJNTNSA-N 470.530 1.889 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCCN1CCC[C@@H]1CO)[C@@H]1CCS(=O)(=O)C1 1740626247 KLRSZNHNEMORCD-WOJBJXKFSA-N 465.664 1.730 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 1740626330 WTPJTZORIPZKHA-KRWDZBQOSA-N 479.965 1.868 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1740626989 DMLJFNNUWBYNIZ-RBUKOAKNSA-N 457.556 1.780 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1740684038 IVHGBUVXFDQJOT-QGZVFWFLSA-N 484.582 1.103 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2CC(=C)Br)CC1 1740702642 USHRGQQFGHGXIZ-HNNXBMFYSA-N 454.369 1.877 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCN2CCOCC2(C)C)CC1 1740704367 MJASBTKDDHTYBV-UHFFFAOYSA-N 453.591 1.360 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC2(S(C)(=O)=O)CCC2)CC1 1740707375 ZRCDCGXJXHHOPV-UHFFFAOYSA-N 490.655 1.567 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCS(=O)(=O)CC)CC1 1740707832 RSKWDYVZJFOWPP-UHFFFAOYSA-N 473.599 1.566 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(=O)COC)CC1 1740709664 KFSWVZBHOFZXNB-UHFFFAOYSA-N 457.560 1.023 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCCOC 1740726139 YJCDTDWZQOMQHU-VGOFRKELSA-N 461.588 1.954 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccn(CC)c1=O 1740774080 LGKGYZPJLHROGZ-SFHVURJKSA-N 464.592 1.243 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1740899603 FCBSPHFFWVCVAZ-MSOLQXFVSA-N 498.650 1.880 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1740950904 MLSBAMOQFOUXRA-MRXNPFEDSA-N 473.582 1.108 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](COC)O[C@H](C)C1 1740953134 WRZAJTHNHNFVGB-HIFRSBDPSA-N 467.368 1.588 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1740961121 MMRMWYWZJNLMJY-FQEVSTJZSA-N 469.565 1.892 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1 1740986904 KKPXGSFQFVAAIY-OAHLLOKOSA-N 472.564 1.393 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1740989166 CIMDKYSVLUAHSB-NRFANRHFSA-N 457.560 1.426 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1740993254 VFGFOPWHFKTKFS-UHFFFAOYSA-N 481.582 1.222 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1 1741045359 GTWZGCORSBFVAP-WDWGUKLMSA-N 484.948 1.577 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(F)c(F)c1 1741801518 BJCSSJZHJCRQOS-KSSFIOAISA-N 484.529 1.707 30 10 JDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(OCC(=O)N(C)C)c2)CCOC1 1746733470 HTXNSMOIRPMYSS-YKSBVNFPSA-N 484.557 1.174 30 10 JDEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@H]1CC(=O)N(CCOC)C1 1747248578 HDKCUXUSATXZOH-CTNGQTDRSA-N 468.558 1.759 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCCN1CCOCC1 1748651265 KMFMMPFXZCFZRR-IBGZPJMESA-N 474.631 1.766 30 10 JDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1748770523 AMJIQJLXROBVQP-VWLOTQADSA-N 466.586 1.737 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCSC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748815614 RZYDGICSRAPFJT-VXGBXAGGSA-N 451.496 1.109 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CN(CC(C)C)CCO1 1748828864 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C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1539210746 DLOWSFNSINGSEA-LJQANCHMSA-N 468.539 1.286 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](N1CCOCC1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539211457 MCQXBDKYWHLPIW-OALUTQOASA-N 497.543 1.835 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1539216812 XLYGWWGCIPNKRR-MZNJEOGPSA-N 498.609 1.370 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(SC)c1 1539370738 ZIMHEPUENRIJBC-MRXNPFEDSA-N 450.590 1.236 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(F)cn2)CC1 1539489241 JMCMBLAZLJFNPX-PXNSSMCTSA-N 456.522 1.550 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1539517196 JSBCIPWZNXUPCL-JKSUJKDBSA-N 451.618 1.042 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ncccc1Cl 1539556507 DSBSAENMGQMFLM-LAUBAEHRSA-N 495.005 1.731 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1conc1COC 1539669939 VZQQMUREZRXLCV-KRWDZBQOSA-N 454.553 1.196 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCN2CC)CC1 1539890988 XIWKQUNRNSNKAE-OALUTQOASA-N 452.625 1.498 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1COCCO1 1540134247 PRASIWSCPMWNMO-NVXWUHKLSA-N 453.540 1.635 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1540865086 VAMXVJVPJPYODS-CALCHBBNSA-N 460.604 1.980 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CNC(C)=O)C1 1540880434 GTWARRQDFSMCSL-VQTJNVASSA-N 489.598 1.135 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1540902437 JEDPYJXFBGTKQI-QZTJIDSGSA-N 453.609 1.466 30 10 JDEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CC(=O)N(CCOC)C2)cc1OC 1547956750 CPTFPPXGQXARIU-PKOBYXMFSA-N 484.557 1.576 30 10 JDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1cccc(CO)c1 1548169044 BBZIMMZANRZJPU-UHFFFAOYSA-N 450.547 1.595 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCN2C(=O)c2ccc(OC)cc2OC)n1 1568521605 FNJVRNBAQVUAES-NRFANRHFSA-N 454.527 1.813 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCNS(C)(=O)=O)c1 1587689914 SOZZDJBTZVMKIL-UHFFFAOYSA-N 467.555 1.254 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588050665 UJKRXJAGOKMJDM-ICSRJNTNSA-N 459.620 1.427 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1588628060 DJSCEOQBIPWKEO-DEOSSOPVSA-N 463.542 1.239 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCn2ccnc2C)CC1 1588762849 NQEOCGKXJCTJMJ-UHFFFAOYSA-N 467.599 1.699 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](CC)OC)CC1 1588961898 PYAJKLWHGRGMAN-KRWDZBQOSA-N 458.588 1.660 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(-n3cncn3)nc2)CC1 1594194590 XFXNMOHQVIRXHY-OAHLLOKOSA-N 457.564 1.315 30 10 JDEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1595243970 MLLGCHPVZAXANX-GOSISDBHSA-N 476.603 1.624 30 10 JDEE C=CCNC(=O)Cn1c(N2CCCN(C(=O)c3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1595601938 BAKUHTGOHWORKG-AREMUKBSSA-N 496.612 1.973 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2CCOC[C@@H]2C1 1595761259 YVTLOERZBFVKFP-FQEVSTJZSA-N 488.614 1.269 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1595765893 JHFJMSOYZYYJJF-ZIAGYGMSSA-N 486.348 1.751 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)C1=O 1625411758 POBWFXADHDYLNL-AWEZNQCLSA-N 454.252 1.465 30 10 JDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1668498281 DSBXPRBBSWTAQE-LSDHHAIUSA-N 459.569 1.133 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nnc(SCc3ccccc3)s2)CC1 1672715710 LGWCZPQUSVMGQA-UHFFFAOYSA-N 452.587 1.448 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1689981903 DHEZTVSGZYJXLK-NFBKMPQASA-N 479.647 1.289 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689986270 MDTYFLSZMPKRDL-KRWDZBQOSA-N 454.560 1.362 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(SC)CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 1689998288 IDJYOXNYYDCUOC-ZWKOTPCHSA-N 467.661 1.584 30 10 JDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1690025141 GHZJPCNBFJHYOW-OAQYLSRUSA-N 450.591 1.155 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1([S@@](C)=O)CCC1 1690088287 HNPCTCRNEMUSSM-AZYRPFHASA-N 481.619 1.968 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2cccc(F)c2)CC1 1690137204 QCLCWLMAICXRIR-KRWDZBQOSA-N 490.605 1.626 30 10 JDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)C(=O)C1 1690218291 BLDAFXUDCOOXIL-UHFFFAOYSA-N 464.324 1.129 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1690659470 UGVVHPRLJQYTLI-INIZCTEOSA-N 480.504 1.810 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)cc2F)C1 1690699592 HAINMZIMNPFBKT-AZUAARDMSA-N 479.578 1.888 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690720426 IUEUWGONNQOZTO-JOCHJYFZSA-N 475.571 1.280 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCCN(CC(F)(F)F)CC1 1690725095 FMMRBARJIFGHMW-UHFFFAOYSA-N 472.537 1.939 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H]([C@@H]3CCCO3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690731908 SRGOKJJTIBWPEU-IPJJNNNSSA-N 484.619 1.304 30 10 JDEE C=CCSCCn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@]1(OCC)CCOC1 1690751305 YZABMIAHNSJWRX-NRFANRHFSA-N 464.592 1.370 30 10 JDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 1696198834 DBAVIIVINMHFGL-GSVIPDFHSA-N 459.572 1.760 30 10 JDEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)C1 1696205799 FOVSVQQHJFYWRG-IMHYJWESSA-N 454.531 1.360 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(F)(F)F)c1 1705504436 WLKAPXHMEVIHBW-GFCCVEGCSA-N 458.466 1.507 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CCn2cncn2)c1 1705504513 YEYFPCQINFAPAG-XMMPIXPASA-N 478.557 1.667 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCN2c2cnn(C)c2)CC1 1705632452 QPFGKBQDZZTJNK-HXUWFJFHSA-N 467.622 1.354 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCc3ccccc32)CC1 1705644547 UKILUJDAZMFRNP-UHFFFAOYSA-N 477.613 1.835 30 10 JDEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C#N)C1 1705663462 IRDMMXJHEPIRPQ-JOCHJYFZSA-N 465.627 1.738 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705805704 MKPPULDMNONCSI-NHCUHLMSSA-N 495.694 1.184 30 10 JDEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705808275 GOBZJPGLGIMZDF-UHFFFAOYSA-N 457.604 1.917 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)C(C)C 1705868759 AOTGTASUGLXYRN-VAMGGRTRSA-N 462.620 1.608 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](Cn2cccn2)C1 1705890939 QNKCHPLPEKCWMK-ZWKOTPCHSA-N 459.551 1.874 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1705895997 ZMZLUOIEXUJBIF-PGRDOPGGSA-N 484.601 1.812 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)O[C@@H](COC)C1 1705935499 TTXHYKRQCBEEJU-FUHWJXTLSA-N 452.552 1.849 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1705937854 GTBMQJIFOWUJQY-LJQANCHMSA-N 478.619 1.515 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCS(=O)(=O)c1ccccc1 1706863885 CIVGYVVSCAYLNR-MRXNPFEDSA-N 480.616 1.492 30 10 JDEE C[C@H]1N(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CCOC1(C)C 1708272580 FIKWZHBCIAMNMC-QGZVFWFLSA-N 454.531 1.591 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1722358273 FPWJXVAQSHGXMI-OAHLLOKOSA-N 464.498 1.597 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1722364312 KQTUEGIOPGBPBH-WMZHIEFXSA-N 473.599 1.697 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cccc(OCC(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1722367859 YCJQTXMSDCGLKJ-LJQANCHMSA-N 499.618 1.470 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCSCC)[C@@H]1CCS(=O)(=O)C1 1722372288 TUNARIVFUIDWRG-GOSISDBHSA-N 450.634 1.910 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(C)CC2)nc1 1722374149 UUBYTMLWASVZET-IBGZPJMESA-N 469.615 1.641 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COC[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1555231127 HACAEQICBSJLIJ-IBGZPJMESA-N 451.575 1.844 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1587620806 KQIUWDXNPCPJDO-GHTZIAJQSA-N 490.612 1.593 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1587807894 KKVBGQXTXXREAM-QGZVFWFLSA-N 450.609 1.531 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1588024453 DFHYVEAIJHTCSI-GOSISDBHSA-N 457.556 1.198 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1588034794 LXZFULDMAXLMDQ-MBSDFSHPSA-N 476.599 1.996 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCCCCC2)CC1 1588968858 RUIILUNHUXIMKO-VXKWHMMOSA-N 472.634 1.844 30 10 JDEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1589109477 BMVYJRJCVHMEAO-UHFFFAOYSA-N 484.626 1.705 30 10 JDEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1593763989 SZPRODWUMHBTEC-UHFFFAOYSA-N 460.560 1.403 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1595501377 RNLHRIYPTREHOJ-UHFFFAOYSA-N 479.585 1.081 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C 1595759232 DFKUPXZENHVNNP-JENIJYKNSA-N 481.644 1.872 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2CCOC[C@@H]2C1 1595760219 LJKYITCJXBOKRN-ROUUACIJSA-N 479.578 1.679 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)C(=O)C1 1595766046 KZKXUPLIYVYNJA-UHFFFAOYSA-N 460.516 1.265 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H]2OCO[C@@H]2C1 1595766432 QFRYPNRXOBMVIH-CALCHBBNSA-N 499.387 1.879 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)OCC)CC1 1595811967 ITEPCFJMZMBGRX-UHFFFAOYSA-N 487.586 1.396 30 10 JDEE C=CCC[C@@H](NC(=O)c1cc(I)ccc1-n1cnnn1)C(=O)OCC 1627752031 KTUIDORBKSPNHP-CYBMUJFWSA-N 455.256 1.895 30 10 JDEE CO[C@@]1(C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)CCS(=O)(=O)C1 1628596621 DDEWCHBILVDIOI-WMZOPIPTSA-N 456.362 1.362 30 10 JDEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)NCc3nc(C#N)cs3)cc2)CC1 1630971251 VZZUQQVJWKLCNE-UHFFFAOYSA-N 456.572 1.600 30 10 JDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1 1653726426 WYCWXJFNCVUNOT-RTBURBONSA-N 456.586 1.650 30 10 JDEE C#CCN(C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1673068036 HISQZGPPKYBITC-OAHLLOKOSA-N 457.574 1.380 30 10 JDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 1682698230 VMGCXAOFYYRCJP-CVEARBPZSA-N 455.533 1.433 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1689982162 IYIQVHRWQCRGLA-QGZVFWFLSA-N 467.580 1.906 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1689988200 KUUZAVDWGZFMLY-CMKODMSKSA-N 459.572 1.327 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1690077289 MCXKQBQWIGAOEZ-YRXWBPOGSA-N 493.630 1.664 30 10 JDEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCNS(=O)(=O)CC)CC1 1690411075 DOVWOLAIBXWDHI-GOSISDBHSA-N 498.650 1.928 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(OC)CCC2)CC1 1690411303 JMMIHIOVIYUJKX-SFHVURJKSA-N 453.609 1.973 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1C[C@H](C)O[C@H](C)C1)C1CC1 1690545498 SKQJPLIFLAMESC-NSHGMRRFSA-N 482.651 1.265 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1690669359 BIXQCWCMHILBDR-SJORKVTESA-N 473.603 1.103 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCCS(C)(=O)=O)c1 1705506938 MKWZZMRNKFRRST-UHFFFAOYSA-N 466.567 1.755 30 10 JDEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1705517318 SXOMEDIGMXFAJV-SFHVURJKSA-N 496.634 1.472 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1705517347 UGCJEOUNQBSGLU-UXHICEINSA-N 490.634 1.464 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1705525101 YQOMNBOVQAFJRH-HZPDHXFCSA-N 470.596 1.032 30 10 JDEE C#CCN(c1nnc(-c2ccc(COc3ccccc3)o2)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1705562749 JEKMQSFXDUCVRT-GOSISDBHSA-N 497.577 1.880 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1705563039 PMRUWOXUDWJHQB-KRWDZBQOSA-N 454.556 1.983 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)COCCO1 1705623328 NWZIIWLECFRWGL-JOCHJYFZSA-N 477.587 1.087 30 10 JDEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1705691200 BICQCPAPHPYJGW-CHWSQXEVSA-N 465.377 1.893 30 10 JDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705724529 VZXPSIMJGRWWSP-HNNXBMFYSA-N 467.621 1.284 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1705725921 YPVSEYGBCSVZKF-MOPGFXCFSA-N 465.576 1.966 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1705819114 DNAMEILETJOYSV-CVEARBPZSA-N 480.557 1.650 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCN1CCN(C(C)=O)CC1 1705860905 QOHKYRDKMKLAQL-UHFFFAOYSA-N 465.602 1.871 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1705894656 GWGJYLNGWFMYHV-UHFFFAOYSA-N 459.595 1.338 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705896516 OZHBMCQRXHZZFW-SFHVURJKSA-N 472.615 1.919 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1705897805 UOFAERDRMLGEOW-MGPUTAFESA-N 494.593 1.280 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2cscn2)CC1 1705907181 CUSUSPCJJXNLJJ-UHFFFAOYSA-N 455.592 1.221 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccn2)CC1 1705939248 BGNGHWQTIZHXTF-UHFFFAOYSA-N 451.560 1.961 30 10 JDEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)C1 1706040297 APSGCUWPXWSXCC-KNQAVFIVSA-N 481.601 1.802 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1706068047 DACAMPLFCHPEFH-IRXDYDNUSA-N 494.643 1.616 30 10 JDEE CC(C)(C)OC(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1706172033 IBCWBLOMEAMYMI-KRWDZBQOSA-N 453.503 1.982 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@@H]2C)CC1 1710329678 DXPSSIVPOYCEGP-GHTZIAJQSA-N 451.575 1.747 30 10 JDEE CN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)CC(F)(F)F 1711209754 AJFPIBPUQLVSSC-INIZCTEOSA-N 477.495 1.317 30 10 JDEE CO[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1)C(C)C 1711543036 GEJMIDFRMOTFAV-XLIONFOSSA-N 475.619 1.758 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)N2CCN(CC)CC2)c1 1722308446 ACNWZOUMQMNDBW-DENIHFKCSA-N 492.628 1.311 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722326540 VFNQPAVSMHXFRS-QGZVFWFLSA-N 465.601 1.232 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCNC(=O)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1722361522 NVBMMPKJRHCKLP-KRWDZBQOSA-N 484.557 1.479 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1722364798 MOOTYIFAXWIKCU-KBPBESRZSA-N 474.356 1.647 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1722365164 LFBDYLJQYPVOMI-HDJSMCDHSA-N 488.610 1.434 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCNC(=O)Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1722367530 NSHWWDLGRIPXFL-HXUWFJFHSA-N 475.590 1.601 30 10 JDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCCNS(=O)(=O)CC 1722405849 QUTUDGOPRXKOSI-UHFFFAOYSA-N 457.398 1.835 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(NC(=O)OC)c2)CC1 1722447662 LKCMWYVYBPOMFK-LJQANCHMSA-N 479.541 1.422 30 10 JDEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722523783 PBHHKCHCTTYPOU-UHFFFAOYSA-N 494.688 1.866 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCN(C(C)=O)CC1 1722690148 GLBXHUFJJRHWQD-UHFFFAOYSA-N 473.965 1.222 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1722698263 XDUOSHLWPZIBOR-UHFFFAOYSA-N 460.542 1.745 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)Cc1nc(O)c2sccc2n1 1722700420 IYWBJTISJREUOL-UHFFFAOYSA-N 450.528 1.913 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@](F)(C#N)C1 1723660432 FPSIALBFYCHASZ-FQEVSTJZSA-N 464.523 1.486 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCCSC1 1723951515 CDJYSGYRZYASRI-WMZOPIPTSA-N 490.659 1.625 30 10 JDEE CN(C)C(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1729311336 CMWBXDIFUDVUBJ-UHFFFAOYSA-N 496.572 1.695 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCn2cc(C)nc21 1740548575 BDRHKUODNLVYCX-RCCFBDPRSA-N 461.592 1.151 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCNC(=O)c1cc[nH]n1)[C@H]1CCS(=O)(=O)C1 1740618955 LSYIBXXPUQEHPX-KRWDZBQOSA-N 487.973 1.378 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CC1CCN(CCN(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1740620924 IFYHXAXDGDTRIY-NRFANRHFSA-N 487.674 1.184 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740622984 MGUKGYIVEZONHL-OAQYLSRUSA-N 479.610 1.884 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740624583 JUNWTPNFUOSVJV-LJQANCHMSA-N 487.626 1.831 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)c(OC)c1 1740640683 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C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)c1ccc(OC)cc1 1748790857 NSJLIKNTGOBDAM-XLIONFOSSA-N 461.588 1.883 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748805414 RKCVUEQJUUTLCO-XMSQKQJNSA-N 498.671 1.469 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748811811 LUJFRDMLDRWDIF-SFHVURJKSA-N 458.588 1.078 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1748816107 WZUCGUBRWAVSCN-ROUUACIJSA-N 457.556 1.107 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1748817038 COXULAGYWGWEPU-VQTJNVASSA-N 451.637 1.460 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCN2CCOC[C@@H]2C)CC1 1749015800 NWPGADQVKGWFGW-NRFANRHFSA-N 494.640 1.758 30 10 JDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1749038979 NIRITVXYGRYITG-VQTJNVASSA-N 454.600 1.497 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)CC(F)(F)F 1749067028 OVBCAJSPSCQUMV-CRAIPNDOSA-N 478.541 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485.610 1.692 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(=O)NCC(F)(F)F)CC1 1760254797 LEVBPLZHZHHESG-UHFFFAOYSA-N 472.475 1.769 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(O)CCN(C(C)C)CC2)CC1 1760256558 IGKMRZPMXFSYAZ-RUZDIDTESA-N 474.650 1.309 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCC(C)C)CC1 1760269222 BRSBWCMZRIMFOX-SFHVURJKSA-N 467.661 1.535 30 10 JDEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2CCOC[C@H]2C1 1760275022 YHXCCKBNSFOIIS-MRXNPFEDSA-N 465.421 1.933 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760338197 ZONKLVXCPSLMBU-QRVBRYPASA-N 485.676 1.787 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1760517323 JTQFUIJLDMTZRU-MRXNPFEDSA-N 451.531 1.992 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCS(=O)(=O)N(C)C)C1 1760534672 DKZKRWBXIHKRSX-LJQANCHMSA-N 476.603 1.820 30 10 JDEE CCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1766203562 HYJTUYAPGBWZPR-UHFFFAOYSA-N 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O=C(O)C[C@H](NC(=O)COc1ccc2c(c1)O/C(=C/c1ccc3c(c1)OCO3)C2=O)C(=O)O 33577516 OELZZCWSNJTJFJ-BTWRWUKRSA-N 455.375 1.454 30 10 JDEE C=CCC[C@@H](O)CN1CCN(Cc2nc(C(=O)N3CCC[C@H](C(=O)N(CC)CC)C3)co2)CC1 34677689 PQSKJMKNTZWTNP-LEWJYISDSA-N 475.634 1.840 30 10 JDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nnc(SCC(=O)Nc2cccc(Cl)c2)n1N 59914378 SVBZFTAXCMYMER-ZVBGSRNCSA-N 463.955 1.628 30 10 JDEE COc1ccc(OC[C@H](O)Cn2c(N/N=C/c3cccc(O)c3)nc3c2c(=O)n(C)c(=O)n3C)cc1 107351162 XKEWRPGTROYQOX-YTIGJDNKSA-N 494.508 1.034 30 10 JDEE CCc1cccc(OC[C@@H](O)Cn2c(NN=Cc3ccncc3)nc3c2c(=O)n(C)c(=O)n3C)c1 254559875 LPXSZUKPVWQHQV-SFHVURJKSA-N 477.525 1.277 30 10 JDEE C[C@H]1CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C(=Nc2cccc(S(=O)(=O)N(C)C)c2)S1 254734056 AANHFGGLRXXWAX-AWEZNQCLSA-N 493.611 1.753 30 10 JDEE C#CC[C@@H](O)CNC(=O)c1cc(I)cc(I)c1O 717851144 LDLJUUALTOGRJJ-MRVPVSSYSA-N 471.032 1.715 30 10 JDEE COc1ccc(Cn2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnn4ccccc34)c2=O)cc1 729671578 MLWLHVDXCIYXHH-UHFFFAOYSA-N 471.542 1.396 30 10 JDEE C#CCNC(=O)C1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC1 1169699345 ZFFLFKSYPAHSSV-UHFFFAOYSA-N 452.477 1.942 30 10 JDEE C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CC(=O)Nc4ccc(C#N)cc43)cc2)C[C@@H](C)O1 1274999400 CEQPRAXMWMLIMK-HUUCEWRRSA-N 454.508 1.955 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nccs2)c1 1286312396 XKSUKWJUCAALHG-MRXNPFEDSA-N 470.580 1.741 30 10 JDEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286351432 REBZPAMMRKPIJE-UHFFFAOYSA-N 452.534 1.692 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1286384839 UBIKAGBKAFQMJJ-KRWDZBQOSA-N 480.612 1.136 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1286385662 YGALSPYLHOIDNC-KRWDZBQOSA-N 498.030 1.575 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC)c(OC)c2OC)CC1 1286470159 UCGUGTJJVMYQOA-UHFFFAOYSA-N 456.547 1.246 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCOCC2)C1 1286541375 IFEUMQSCLYCTLF-HNNXBMFYSA-N 490.424 1.527 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1286781977 GNSCVJZFKRYFNG-SFHVURJKSA-N 471.587 1.227 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)C(C)C)CC2)cc1 1286795084 WDBICVYKGAKYME-GOSISDBHSA-N 490.630 1.806 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1286819357 HSWKPCPIFNDLAP-YTQUADARSA-N 459.572 1.796 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCOC1 1286831563 IJTSIFSBTFEPDG-DLBZAZTESA-N 459.638 1.393 30 10 JDEE CC(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1287724204 BQGBWZGYIOIOQX-HXUWFJFHSA-N 491.593 1.604 30 10 JDEE CCCC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N1CCN(c2cnccc2C#N)CC1 1298659970 FMFGJWMDXAFSAA-PKOBYXMFSA-N 456.591 1.828 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)Cc1ccc(F)cc1 1300309527 HSHYDIGPPMYKOD-FXAWDEMLSA-N 478.594 1.340 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C(=O)NCC)cc2)CC1 1300706303 KDJNXJAGOYHHON-UHFFFAOYSA-N 460.586 1.693 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC(=O)NCC(F)(F)F)CC1 1300709776 FRVOEZYDCDCSDO-UHFFFAOYSA-N 454.428 1.430 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2csc(COC)n2)CC1 1300725496 HNPZQBIUFQYYCA-KRWDZBQOSA-N 458.588 1.789 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1300856371 CDTZPFKUXKXGMO-SFHVURJKSA-N 480.455 1.914 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)NCC)CC1 1301151895 SFXMXMISDVKVAB-QGZVFWFLSA-N 483.639 1.065 30 10 JDEE N#C[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CCN2CCCS2(=O)=O)CCO1 1303001508 BRLRPDSSOJWSFX-CQSZACIVSA-N 499.366 1.611 30 10 JDEE Cc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)s1 1304781984 AEEQCGYAAJOSHG-ZDUSSCGKSA-N 458.573 1.495 30 10 JDEE CC#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1306870517 KSPCZJCMPFAVJL-LLVKDONJSA-N 450.298 1.046 30 10 JDEE C=C(C)C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1310076312 WBGJCZLGWBXNAH-QGZVFWFLSA-N 452.577 1.756 30 10 JDEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 1313948648 FFORUUFGEXSIMI-KNQAVFIVSA-N 464.618 1.792 30 10 JDEE C=CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)[C@@H]1CCS(=O)(=O)C1 1352905637 SWJLAOILFYZDDB-AUSIDOKSSA-N 455.536 1.809 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[C@@H](O)C2)c1 1358902026 CPOMJSGQMXLAKP-RLLQIKCJSA-N 450.543 1.837 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1358919123 SBKHWULKTNHTGJ-QGZVFWFLSA-N 459.576 1.447 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccccc1C 1358930656 ZRXXIWXUVNXDGO-FQEVSTJZSA-N 461.588 1.848 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358955936 XDYBSBUHIPZMHC-MOPGFXCFSA-N 464.636 1.308 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1358964879 JDAYLWYUGSHKOQ-RTBURBONSA-N 450.536 1.296 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C 1359057713 GUYVPZJZHXTRHQ-DLBZAZTESA-N 478.619 1.620 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCS(=O)(=O)CC1 1359108949 JKZVKDADUOYUNI-UHFFFAOYSA-N 482.628 1.691 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1359113360 GWVCXJVZYRDBKF-AQNXPRMDSA-N 484.667 1.513 30 10 JDEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359206189 XJXJYRAFLDEOMA-UHFFFAOYSA-N 487.630 1.799 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1359298874 OFTMCIJDKGPJPW-LJQANCHMSA-N 452.559 1.353 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1359301063 QTYAGBRIFIOJOY-PXNSSMCTSA-N 454.531 1.397 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@H](COC)C1 1359306140 XQRCGEAZIDPEQK-BZSNNMDCSA-N 478.594 1.892 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)cc1 1359308173 GPNZPUIORHCGNS-FXAWDEMLSA-N 474.587 1.962 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCNC(=O)[C@@H]1CC 1359334962 VXZXRGVPTNIXGX-SFHVURJKSA-N 461.588 1.790 30 10 JDEE CC(=O)N1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)CC1 1359363879 BUFMWEONNGPJLU-OAHLLOKOSA-N 451.597 1.277 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(n3cnc(C(=O)OCC)c3N)CC2)c1 1447681233 RZWHZJSVDDRZHH-UHFFFAOYSA-N 458.540 1.916 30 10 JDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](O)c1ccccc1Br 1451407219 ATRBAEYQCKLJOL-PXAZEXFGSA-N 452.330 1.837 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccn2C(F)F)CC1 1503376384 ANEGFFHDFQZLHK-UHFFFAOYSA-N 469.500 1.667 30 10 JDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C[C@H](C)O1 1504734254 GLARETLEZKAXIK-LAUBAEHRSA-N 489.598 1.794 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CN(CC(C)C)CCO2)c1 1507545672 ABUGNIRMADESMF-QFIPXVFZSA-N 495.628 1.829 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(CCOC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1507621989 AAVLWAIHQVCJBO-GOSISDBHSA-N 465.620 1.640 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1507634410 KGRLQYMDBCLIHQ-LJQANCHMSA-N 483.598 1.358 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1507635498 SROWRLUEJOQMPY-WMZHIEFXSA-N 490.651 1.567 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507635644 YGZGRUQKHVZGCV-IBGZPJMESA-N 451.637 1.606 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1CCCO 1507662221 FYFASRNDAGKGNA-OAQYLSRUSA-N 469.611 1.658 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)N(C)C 1507662761 WTDWPOYDSRPVTG-UHFFFAOYSA-N 451.556 1.690 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1507670134 YANLCODOAAMJCJ-DNQXCXABSA-N 495.649 1.648 30 10 JDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1508098016 MXYJFLCIWMAXTE-RBHHUKDOSA-N 463.579 1.394 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1508132501 YZGWDOIUUYZZAJ-KRWDZBQOSA-N 490.586 1.301 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1508137338 ZRPDJNLZIKQNPF-UHFFFAOYSA-N 489.989 1.786 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508149492 WDNXSFFQAMLKGW-SIKLNZKXSA-N 478.619 1.096 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC[S@](=O)C(C)(C)C)CC2)c1C#N 1511661077 CCAULLPLDYBVET-WGLOFEKDSA-N 487.634 1.017 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCCC2)CC1=O 1519221632 ATHGSJFAWGCGGI-UHFFFAOYSA-N 468.558 1.719 30 10 JDEE C[C@@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1521476993 SGFYJQFECHVHTG-ICSRJNTNSA-N 455.559 1.691 30 10 JDEE COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1cccc(COc2ccccc2C#N)c1 1538425384 GJWRIMBCSHOPHH-UHFFFAOYSA-N 450.539 2.000 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cccn(CC)c1=O 1539350609 RNNPKXGBWNNJNC-UHFFFAOYSA-N 468.583 1.885 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)N2CCOCC2)CC1 1539427388 DCUUPVFWQJKTNX-NRFANRHFSA-N 465.602 1.623 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@](C)(O)CC)CC1 1539481851 OUAIGKMWIIAPRV-VWLOTQADSA-N 480.617 1.579 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C(=O)OC(C)(C)C 1539556856 IQQLQCMXFHUSAT-VGOFRKELSA-N 496.634 1.470 30 10 JDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1539874612 HZQYFMRLUCVVNC-NQIIRXRSSA-N 453.609 1.614 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1540858254 OISWPNGZSWAZHX-FHWLQOOXSA-N 462.595 1.929 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1540863390 VPKNWKSDFUUVLX-DOTOQJQBSA-N 492.577 1.429 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1540902311 GQNKLYRLYBKXOI-IAGOWNOFSA-N 475.571 1.496 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 1545776453 FENYSBIQHAKQCO-CYBMUJFWSA-N 450.471 1.032 30 10 JDEE C#CCC1(NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CCOCC1 1560154595 OAVLZYLIWARPRZ-UHFFFAOYSA-N 459.612 1.560 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC1 1584999970 HOLWJDLOBUHZMK-KRWDZBQOSA-N 458.563 1.031 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccnc2OCC(F)(F)F)CC1 1588733618 WPXRRJDQDPKWQQ-UHFFFAOYSA-N 465.480 1.556 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCNC(=O)[C@@H](C)CCC)CC1 1588806540 UUNKSSKZGZAVIW-IBGZPJMESA-N 490.612 1.500 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2csc([C@H](C)OC)n2)CC1 1588885360 VZXYNCXYRUVTBA-INIZCTEOSA-N 485.614 1.692 30 10 JDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(CC(=O)N(C)C)CC1 1589306449 ZRVUKIKANIKMGL-OAHLLOKOSA-N 459.389 1.121 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC)C1 1595659437 YJCYOYWRMISMGE-RBUKOAKNSA-N 462.572 1.645 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](COC)C1 1595766548 SEPDFSRDEHDXGC-OAHLLOKOSA-N 488.408 1.499 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1595789610 XVMUOIPWHUCHRG-UHFFFAOYSA-N 499.597 1.115 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CC1 1595804719 FUTCTUKHTMMXKN-INIZCTEOSA-N 455.581 1.786 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)NCc3c(I)cnn3C)cc2C1=O 1596061011 ROWRURJQUMJPDV-UHFFFAOYSA-N 450.236 1.737 30 10 JDEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCS(C)(=O)=O)C[C@@H]2C)CC1 1596266825 DCIZYRNVGIPNNJ-AVRDEDQJSA-N 499.641 1.240 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)CCO1 1596632473 BWSXBANIVYAVBD-LJQANCHMSA-N 451.531 1.204 30 10 JDEE CC(C)[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1612884915 IFYDOOOTLODUCN-MCFFVMPBSA-N 453.551 1.013 30 10 JDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCCN(c3ccccc3C#N)CC2)[C@@H](C)O)cc1 1626840829 AKIIPELDZJESEA-GCJKJVERSA-N 456.568 1.633 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@H]2CNC(=O)OC(C)(C)C)cc1 1630978817 JVHRMKNLUZSPNZ-QGZVFWFLSA-N 452.577 1.432 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)OCCN(C(=O)OC(C)(C)C)C3)CC1 1640201473 HRNLITMVEAVXAD-UHFFFAOYSA-N 456.543 1.323 30 10 JDEE C#CCN(C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 1677528005 PNPXLHLMHHMIIQ-RDJZCZTQSA-N 455.483 1.615 30 10 JDEE C#C[C@H]1CC[C@H](NC(=O)N2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 1685065659 HYYBAGNKZJTSRW-QAQDUYKDSA-N 454.593 1.455 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1689977915 HEHFLXTVZWPMDJ-GOSISDBHSA-N 464.636 1.308 30 10 JDEE C#CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689997040 UTVKFMAMFVBFKT-LJQANCHMSA-N 487.626 1.870 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)nn(-c2ccccc2)c1C 1690077824 XRAIABYOEVGHSP-JOCHJYFZSA-N 497.625 1.921 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccccc2)CC1 1690144228 QDAZPSLEHRNUSI-YLJYHZDGSA-N 450.543 1.663 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[C@@H]2COCCO2)CC1 1690148905 ZOEZWFWJHITASJ-GOSISDBHSA-N 473.524 1.918 30 10 JDEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690437877 RQKUGJNQRPLNMC-OAHLLOKOSA-N 471.587 1.019 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1690526736 CYDDEIMELNPTDL-BBTUJRGHSA-N 454.641 1.744 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1690663399 VOZOVEOQXSCRPH-UHFFFAOYSA-N 453.503 1.604 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)cc1 1690680442 SCGQDLDVTHOXGE-WMZOPIPTSA-N 482.628 1.663 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[C@H]2CCCCO2)C1 1690700741 WXCKEWKHNNQUGE-VAMGGRTRSA-N 483.635 1.742 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(O)c2)CC1 1690714649 QSRXBMMVUKJUQN-UHFFFAOYSA-N 462.576 1.049 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1695907584 HJIZDUUTFYNYFW-GOSISDBHSA-N 487.630 1.745 30 10 JDEE CN(C)S(=O)(=O)c1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1696621343 IEEXFYQPPTXEPV-NRFANRHFSA-N 475.550 1.255 30 10 JDEE CN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1696710671 DHUXTVMHXJIGQM-SFHVURJKSA-N 484.586 1.380 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)N1CCN(CC)CC1 1705481866 NYCZKXOJRJKTAL-OALUTQOASA-N 458.632 1.833 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1705561256 OLQKMXHGLNILMK-VIZSFHNOSA-N 479.647 1.431 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1705563494 YSOFHHMZMUOIGU-OAQYLSRUSA-N 482.610 1.554 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccc(F)c1)N(C)C 1705582659 GRHAJIQELPEBDR-SFTDATJTSA-N 488.589 1.126 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)s1 1705583477 ZBDHYIAQZSMXFH-HNNXBMFYSA-N 453.977 1.447 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCc2cccnc21 1705612799 PEEBSDPZXKDTLA-RTBURBONSA-N 458.588 1.586 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(N(C)C)CCOCC1 1705629133 YBSORSHSIODDBI-UHFFFAOYSA-N 482.633 1.649 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCN2CCSCC2)CC1 1705642613 ANSUFYDRNUIDFP-UHFFFAOYSA-N 456.616 1.670 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCCNS(C)(=O)=O)CC1 1705649422 XENHTCPXDZIOHO-UHFFFAOYSA-N 497.625 1.342 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cncn2)CC1 1705698294 RVZVKWTWMQZYCR-UHOSZYNNSA-N 478.623 1.378 30 10 JDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705725676 MWOAVVWOPZZNNO-DLBZAZTESA-N 484.623 1.681 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC2(CC1)COC(=O)N2 1705932725 JAOCAGJBIMCLPV-UHFFFAOYSA-N 491.570 1.642 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1705934290 IBZKRYNTQZNXNA-UHFFFAOYSA-N 492.627 1.545 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1705937719 CKLCAYUVXGDEDM-RTBURBONSA-N 461.563 1.943 30 10 JDEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C[C@@H]1C 1710218556 GNKSLCZCSLBXGK-OALUTQOASA-N 481.601 1.930 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@H]2C)CC1 1710329685 DXPSSIVPOYCEGP-WIYYLYMNSA-N 451.575 1.747 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1722363238 DVSPIKJVOXKRKS-HLIPFELVSA-N 472.558 1.992 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1722364281 FLTUXJSIJWLTPI-LJQANCHMSA-N 486.623 1.490 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(CC)(CC)SC)[C@@H]1CCS(=O)(=O)C1 1722369354 YEHXJXPNMIZBPI-HZPDHXFCSA-N 453.634 1.778 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC1(C(N)=O)CCOCC1 1722421638 JJDBTBODFOZDIP-UHFFFAOYSA-N 468.533 1.462 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(Cl)c1 1722429394 QCZKKUUMZZJLJP-MRXNPFEDSA-N 452.964 1.977 30 10 JDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1722542928 BIEWPSUEWRXUFE-MRXNPFEDSA-N 452.003 1.738 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccccc2OC)CC1 1722692145 FPGZZBUSJNGLII-UHFFFAOYSA-N 467.574 1.147 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1722696111 BHULUDHSOSEBBB-KRWDZBQOSA-N 457.554 1.423 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722703227 XJXDLZXVLCKQNC-IFMALSPDSA-N 484.649 1.945 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1722727812 OPKCBVQRIZNMIY-UHFFFAOYSA-N 496.597 1.097 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CC[C@@H](C)C1 1726503652 GVGWRNQSVTWCBW-ZIFCJYIRSA-N 472.619 1.918 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(OC)nc2)CC1 1728664413 GODNDJDKOSVMPF-UHFFFAOYSA-N 460.542 1.527 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2cc(C)oc2C)CCO1 1729679736 BQCLZSVEFZMDIA-YKSBVNFPSA-N 464.526 1.886 30 10 JDEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740582157 KLNVMFRSDRGRSA-UHFFFAOYSA-N 498.584 1.558 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cc(OC)ccc1OC 1740610933 OYYBLTGFULJHSE-HXUWFJFHSA-N 477.587 1.330 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1740620048 STRPHWOVQVMCGK-KRWDZBQOSA-N 468.601 1.688 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1740624031 CWHXBIBKOQZTBZ-AUSIDOKSSA-N 474.631 1.708 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1740657806 YSBRUIAUNAWCIN-HXUWFJFHSA-N 485.585 1.667 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCOCC2)nc1 1740660919 JCJSEQJRZVJEMN-GMAHTHKFSA-N 464.570 1.745 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1740688606 HAVRTAYIJHHFFP-NRFANRHFSA-N 453.591 1.483 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CCS(C)(=O)=O)CC1 1740691736 BUDMDFBDBODGCF-UHFFFAOYSA-N 461.588 1.542 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOCCOC)CC1 1740691927 CPDGMBNPUHREIU-UHFFFAOYSA-N 451.369 1.844 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1740968691 DHPPARRUJJRKIV-QZTJIDSGSA-N 480.612 1.417 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@]2(CCOC2)C1 1740993400 ZXQYPWFYIHVTOR-OAQYLSRUSA-N 450.536 1.605 30 10 JDEE CC[C@H](C)[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1743471996 AJXCDGLOSHPGGT-BXKMTCNYSA-N 483.621 1.551 30 10 JDEE CNC(=O)c1cccc(CCn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)c1 1748156660 DXTHIYDGMXQJRJ-HSZRJFAPSA-N 462.489 1.970 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1748664444 GWQHHSOZVVRYGU-HOTGVXAUSA-N 454.556 1.475 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1748717858 KJWREBBZRCAZII-LJQANCHMSA-N 487.630 1.807 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1748801804 HAGCFZAWXSQLHG-HXUWFJFHSA-N 478.663 1.555 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1748823780 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1760188025 ZCHYYDODOGPXEP-QLCIJSRNSA-N 482.578 1.685 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)c1ccccc1 1760205995 OTAACOWGJDKWBD-TZIWHRDSSA-N 470.599 1.209 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCC(=O)NC(C)(C)C)CC1 1760261150 HQKKGRCHJJRAMG-HXUWFJFHSA-N 452.559 1.851 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1760315428 FJVCDOLSLFACGI-ZCNNSNEGSA-N 474.606 1.280 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccsc1 1760336825 JVIYYGYYXMEOBE-YLJYHZDGSA-N 469.633 1.983 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCSCC2)CC1 1760402660 QHRZLFPCKIHMSW-SFHVURJKSA-N 470.665 1.062 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O 1760501366 NZRYTELOPRWXCG-PKOBYXMFSA-N 482.628 1.976 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1760526315 KPXUOQIGPPYQMH-UHFFFAOYSA-N 478.601 1.914 30 10 JDEE 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PCPASNHYYYRUHV-KXBFYZLASA-N 488.614 1.555 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC2(S(C)(=O)=O)CCC2)CC1 1690150370 FDIYOVSINSVODQ-UHFFFAOYSA-N 461.632 1.944 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690255384 QNTCOXWAAPQBKB-QRQLOZEOSA-N 453.609 1.971 30 10 JDEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690346378 RXVFGCVGRDKEMG-JKSUJKDBSA-N 481.985 1.895 30 10 JDEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1690636303 REJYIZVRFRFDNZ-UHFFFAOYSA-N 484.557 1.046 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(=O)NC)CC1 1690664511 VVVGGRRAOATEFM-UHFFFAOYSA-N 476.379 1.780 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1690669045 RWDZATNJDBQVKZ-SFHVURJKSA-N 468.587 1.609 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1690671209 QWKYZFNIORANAS-IAGOWNOFSA-N 458.567 1.651 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCO[C@H]2C(C)C)C1 1690699739 IODPZQJMYNJOIY-WOZUAGRISA-N 497.662 1.844 30 10 JDEE CC(=O)N1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 1690806562 FTAZUJIGAFVCTJ-HXUWFJFHSA-N 485.614 1.547 30 10 JDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1696628345 BJHPKABVNUCLKU-SJLPKXTDSA-N 463.585 1.265 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCN(c2ccncc2)CC1 1705480270 SIQPBNXCCRPUMG-SQJMNOBHSA-N 467.618 1.995 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCSC2)C1 1705516586 FIRMZEPRWWQESV-PXNSSMCTSA-N 453.634 1.748 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1705559479 BDEFKLIRNMSZQM-QFBILLFUSA-N 450.536 1.816 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCN(CC)CC1 1705611110 PVFZREDIUWIBOT-UHFFFAOYSA-N 462.602 1.679 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1705648026 PDZIRLNXEIOMNC-RBUKOAKNSA-N 455.607 1.315 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC[S@](=O)CC)CC1 1705648363 RZJHJLOGWUTZGL-OGPYBGEISA-N 471.583 1.525 30 10 JDEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705656793 JKGWWBRDPSQHCD-UHFFFAOYSA-N 454.600 1.292 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(NC(=O)COC)CC2)nnc1[C@]1(OCC)CCOC1 1705708026 WNQIAUFQJGPZAQ-ZHRMCQFGSA-N 477.606 1.643 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705786490 PFDHJVXOIOLVBT-QGZVFWFLSA-N 483.639 1.065 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1705830172 KOOUIQPTRKVGPC-FQEVSTJZSA-N 473.599 1.735 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OCC(C)C)CC1 1705909142 ORWXFEPKFDGEBW-HKUYNNGSSA-N 464.567 1.219 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1705929768 XEIZCYDCOIRLTG-WIYYLYMNSA-N 482.990 1.841 30 10 JDEE C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)CC1 1706080604 HESFWQLZHXDIMI-QGZVFWFLSA-N 464.574 1.084 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1722324157 LXYQHNJDFYLZGV-SFHVURJKSA-N 455.588 1.496 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1C1CCCCC1 1722352352 OGMXRLTYMUYLEZ-WOJBJXKFSA-N 464.636 1.478 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1722360127 ZEPIIDDPZNPVOD-PMACEKPBSA-N 478.663 1.698 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1722393147 SZBDXTDKGPWPGH-XMMPIXPASA-N 486.594 1.753 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1722433357 SLNVCEQKRVTVAY-RUZDIDTESA-N 474.650 1.575 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCC[C@H]2OC)CC1 1722434255 OEZUSCNQCFDEOH-PZJWPPBQSA-N 457.600 1.919 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCOCCOC)CC1 1722436768 FGNKCQYDIAWUJO-UHFFFAOYSA-N 476.622 1.811 30 10 JDEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722486401 YNUNFDBYXAVPGV-LBPRGKRZSA-N 481.301 1.203 30 10 JDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722607225 PSMPLWQBSFCCCD-GOSISDBHSA-N 473.603 1.718 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1722618855 VZNKQXLAIQDWAM-ROUUACIJSA-N 453.609 1.709 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1722692567 RJCRGSMJBXNQLY-HDICACEKSA-N 461.611 1.044 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C(=O)NC)CC2)cc1 1722704933 PRLGFIOSAYSMOI-LJQANCHMSA-N 473.599 1.756 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)CC1 1722739280 UKQPZKQQQIVOCY-AWEZNQCLSA-N 451.565 1.766 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O 1729409184 CEURRDYMDJUQOL-RTBURBONSA-N 477.612 1.656 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCNC(=O)c1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1740618043 BCCJVSFKERCCIF-LJQANCHMSA-N 497.577 1.999 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1740622407 COQAIMRHPCCMGH-SJLPKXTDSA-N 475.546 1.246 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1740628656 SEGRTYNFYHNVBH-SFHVURJKSA-N 455.544 1.084 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCS(=O)(=O)c2ccccc2)CC1 1740698381 TUPRIAHLMFWMJF-UHFFFAOYSA-N 464.595 1.883 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCCCCC2)CC1 1740705701 LDVCBMZQHWSDFK-FQEVSTJZSA-N 476.647 1.022 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOCCOC 1740727105 ZTMBXWPXLGHVQG-JOCHJYFZSA-N 461.588 1.851 30 10 JDEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1740742019 ZQMABSVPVZWXPG-KRWDZBQOSA-N 492.422 1.912 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1740974738 PDPYIIGQFLILPC-HTAPYJJXSA-N 459.572 1.608 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2F)C1 1740983030 ZSCXEGAGMWUBBF-MJGOQNOKSA-N 465.551 1.580 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1740988189 WLRJYAWEQUPGQI-UHFFFAOYSA-N 456.572 1.722 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1741123670 ABCMJTBUFSBGKF-SIFCLUCFSA-N 451.524 1.703 30 10 JDEE CC(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1741630680 DFSPJVSKZGWPFZ-IBGZPJMESA-N 458.588 1.694 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1748752524 YQFATYDGBKHQID-AZUAARDMSA-N 464.636 1.335 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1748810490 XAIFQHNDYUPOTJ-QZTJIDSGSA-N 461.494 1.868 30 10 JDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1748812738 ZNVSJLGOQABSDE-LJQANCHMSA-N 454.556 1.528 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748815701 SWZBSEBVRWGSGF-WOZUAGRISA-N 490.674 1.614 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1748818727 FBMBRALOTUSGEK-SFHVURJKSA-N 459.963 1.441 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNS(=O)(=O)Cc1ccon1 1748859732 ZTPMHXTVHRKLQM-RTBURBONSA-N 474.587 1.377 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OC)c1OC 1748930111 XSRXBMIBDUJOPF-GOSISDBHSA-N 463.560 1.136 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)c(OCC)c2)CC1 1749015453 DVBARYKDXNWGDD-UHFFFAOYSA-N 494.596 1.822 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCC[C@H](C)C2)CC1 1749015792 NTZQLVOSXBZEBT-NRFANRHFSA-N 483.661 1.878 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1749020210 OPRQFAWUFCLEAQ-HDICACEKSA-N 457.604 1.837 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1749193728 NPXXJEDZQPSLCR-HZPDHXFCSA-N 468.605 1.530 30 10 JDEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)C(=O)C1 1749430722 SNZOCJANFOXHTM-SFHVURJKSA-N 478.594 1.848 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@H](CC)C1 1749652360 MFJDEYIZMOFSLZ-MRXNPFEDSA-N 461.592 1.464 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1749652639 QLAMJNDXVDFICE-UHFFFAOYSA-N 463.542 1.399 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCCOCC1 1749723698 BXCABJUOCAPERI-UHFFFAOYSA-N 458.382 1.874 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN2CCOC[C@H]2C1 1749724576 KHWGIJXGCXXZTP-NHCUHLMSSA-N 459.616 1.942 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCNC(=O)CC1 1749725711 WVPZMMUVSOYKEB-UHFFFAOYSA-N 482.404 1.943 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1749732455 WWLSFDWEIUIECZ-UHFFFAOYSA-N 458.588 1.572 30 10 JDEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1750387793 BJUFQAOCRPCAQP-IAGOWNOFSA-N 451.453 1.256 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1760181237 RGJMAJGWEWABBJ-DNVCBOLYSA-N 451.574 1.062 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1760190930 WWJJZAXWTSCRCO-IBGZPJMESA-N 468.583 1.594 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCc2cc(OC)ccc21 1760205720 ICNSCIHQAMMZHO-OFNKIYASSA-N 497.621 1.813 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccn(C)n1 1760213173 SHEGITCXIXJLCR-UHFFFAOYSA-N 451.556 1.440 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)OC)c1 1760249773 SRZJQGLRPOSZCR-KRWDZBQOSA-N 461.544 1.493 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCC(=O)NC)CC1 1760267517 OYKCSGAVTOHAOT-UHFFFAOYSA-N 491.365 1.949 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC(C)C)cc2)CC1 1760270393 WIWHKXNQTCNSLK-NRFANRHFSA-N 499.637 1.982 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1760274653 LYGNZPRALCPXNY-YJBOKZPZSA-N 467.592 1.972 30 10 JDEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760348083 QKUPZRTZBDGVTB-UHFFFAOYSA-N 454.531 1.369 30 10 JDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(OCC(N)=O)CC1 1760353351 OZTFJEZQLPMPLF-UHFFFAOYSA-N 457.531 1.780 30 10 JDEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)COC)CC1 1760408196 FKKLQRVOGHYDHS-UHFFFAOYSA-N 465.562 1.818 30 10 JDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1761251783 GLWOJENXOOUQAP-OAQYLSRUSA-N 480.617 1.720 30 10 JDEE Cc1nc(CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCC[C@@](C)(C#N)C2)n[nH]1 1762306495 DNKCIOCYRAEFEB-QFIPXVFZSA-N 483.602 1.995 30 10 JDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1771080418 FQRWWJMUSYDVDT-DEOSSOPVSA-N 464.574 1.880 30 10 JDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)NC2CCCCC2)C1 1771529056 HSUQBNFAECXJBE-FOIQADDNSA-N 452.556 1.461 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(=O)N(C)C)cc1 1772564679 QDBFLYFOVOAJHU-SFHVURJKSA-N 477.591 1.375 30 10 JDEE CCN1CCN(Cc2cc(=O)c(OCC(=O)Nc3sc4c(c3C#N)CCC4)cn2C[C@H](C)O)CC1 1870324491 MSKZWNIIPOCARW-KRWDZBQOSA-N 499.637 1.806 30 10 JDEE C=CCN(CC=C)c1nc(=NCCOCCO)nc(Nc2ccc(N3CCN(C)CC3)cc2)[nH]1 1871657052 MLMYTEZMSXWCPW-UHFFFAOYSA-N 468.606 1.388 30 10 JDEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(NCc3ccc(OC)cc3)ncnc21 1875231309 ISSMKCXMMCQBDI-UHFFFAOYSA-N 450.543 1.988 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2206631253 WAGFSOQBECUBCF-BHYGNILZSA-N 463.340 1.051 30 10 JDEE Cc1cnc(O[C@@H]2CS(=O)(=O)C[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2232311596 KZQHKMJAFVYNAW-HZPDHXFCSA-N 468.381 1.758 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255753074 NVDCKZSKCJICGM-CJNGLKHVSA-N 453.370 1.572 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)=C[C@@H]1O 2256674771 MOEWBWGDECPLRY-OLZOCXBDSA-N 451.354 1.965 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCC(CO)(CO)NC(=O)OC(C)(C)C 2258274167 GQBCBNJFSCFTFT-OAHLLOKOSA-N 458.556 1.328 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](Oc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)(C(N)=O)C1 2265990921 XPEZZJINWGMLOB-OAQYLSRUSA-N 451.304 1.764 30 10 JDEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267113287 RMOOGENHHTZWTQ-AWEZNQCLSA-N 451.377 1.784 30 10 JDEE Cn1[nH]c(CNC(=O)OC(C)(C)C)nc1=NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2267149072 HVRCXMDYSRWPBG-UHFFFAOYSA-N 464.357 1.270 30 10 JDEE Cn1ncc(C(=O)NC[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267513840 ROBWXKCCWUUARS-OAHLLOKOSA-N 452.336 1.654 30 10 JDEE CON(C(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267517659 WNWRIWYKEQBZDN-UHFFFAOYSA-N 450.345 1.651 30 10 JDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H](O)C1 2267529157 XNWNDLAFCNCDIX-AWEZNQCLSA-N 467.397 1.805 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268649643 DWKQDFZPGYCPLG-LRTDBIEQSA-N 467.397 1.988 30 10 JDEE C[C@@H]1OC2(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)CC1(NC(=O)OC(C)(C)C)C2 2280792171 YVSWMUUHGSLRGI-MFBUALDNSA-N 460.340 1.929 30 10 JDEE CN(C)CCCN(CCNC(=O)OC(C)(C)C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2281932014 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C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)NCCc1ccccc1 1286516984 OKPIRGATGYVCHD-VGOFRKELSA-N 458.588 1.239 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](COC(C)C)C1 1286546228 HQSFEPZHBAONBW-MANSERQUSA-N 471.624 1.500 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)CC1 1286557848 XZWJFDRQKNWRJB-UFYCRDLUSA-N 467.636 1.320 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286789164 PWYGGAPLJBYSHC-QGZVFWFLSA-N 481.022 1.590 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1286790277 MJCYFCYGBDXZCP-UHFFFAOYSA-N 493.656 1.890 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCNS(=O)(=O)CC)C1 1286809915 WIWGPQVFPNVQNC-HNNXBMFYSA-N 473.559 1.315 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1286816515 MAWARACZTJNIPK-FQEVSTJZSA-N 472.571 1.866 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1286818033 AXDCNHWWXMMULP-LJQANCHMSA-N 476.603 1.890 30 10 JDEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1297328015 GRIYNEZVRZVTTD-UXHICEINSA-N 474.587 1.688 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C(=O)OC)Oc3cc(F)ccc32)s1 1300196087 ZCLWIZMRMABTKH-MRXNPFEDSA-N 454.501 1.861 30 10 JDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1300403305 JZEJCVACJZRKNF-VQIMIIECSA-N 464.526 1.449 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1300478891 FUJFWPHIMFPTPC-WMZOPIPTSA-N 451.593 1.250 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300488198 BMYBAEIBKRJKAY-QGZVFWFLSA-N 473.555 1.169 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc([C@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1300500732 CPKSHMAOHMHNQC-AVRDEDQJSA-N 465.579 1.992 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1300504669 PYWRYRIALKDJAD-CVDCTZTESA-N 469.567 1.516 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)N1CCOCC1 1300619373 WSVWBCUJOYFMKZ-UHFFFAOYSA-N 477.569 1.773 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCCC2=O)cc1 1300631402 QJHQMGQMEHOQES-HXUWFJFHSA-N 455.584 1.810 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2Cc2nnn(C)n2)CC1 1300689377 UXZPYGIIKVMZQG-UHFFFAOYSA-N 476.770 1.688 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1300764556 XWOLCHKGPQKXTH-GOSISDBHSA-N 494.599 1.522 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1300882487 VBQKHFDCOVUBKF-FXAWDEMLSA-N 477.635 1.958 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCOCC1 1300915595 OUQITGPFIAGZQG-SFHVURJKSA-N 471.624 1.457 30 10 JDEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)COC)CC1)c1ccccc1 1301165607 ICTSYIQVHDUBRW-UXHICEINSA-N 452.559 1.884 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(CC)n1 1301404626 PIVWEWLOOFCMGA-MRXNPFEDSA-N 452.606 1.857 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1301589200 PCNGIWPWXFPEFM-UTKZUKDTSA-N 464.592 1.258 30 10 JDEE CC[C@H](C)[C@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1305323008 BGLDUFWJHQFMGB-NXHTTZLHSA-N 451.531 1.718 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2cc(C)oc2C)CCO1 1315015499 ICUZGIUZQKPHJA-OFVILXPXSA-N 494.552 1.798 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OCCC 1358890596 RVPUIOXYGFDSAL-AEFFLSMTSA-N 462.576 1.301 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358964631 CNBZPISIJVNZGL-MJGOQNOKSA-N 488.614 1.804 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1Cc1ccccc1 1358969814 XLIXEGWNIXWIHT-FPOVZHCZSA-N 454.600 1.626 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCCC)nc1 1358994954 ZULHVXBETDHSQF-HXUWFJFHSA-N 486.598 1.306 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NC(C)(C)C 1359024829 WRUCWTRTMHYQPL-UHFFFAOYSA-N 468.606 1.843 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCS(=O)(=O)C2)n1 1359028117 HVWBTHMUMSGSDO-UXHICEINSA-N 490.630 1.480 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCSCC2)CC1 1359028696 AZGDQZZDLNRFFC-UHFFFAOYSA-N 488.061 1.666 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCNS(C)(=O)=O)CC1 1359032652 XCPVCWOBUJAAAK-UHFFFAOYSA-N 457.387 1.556 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2ccco2)CC1 1359042321 BAFUZJCPRBOMPU-UHFFFAOYSA-N 481.944 1.982 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1359298664 IJBZHRKVYJVAAU-INIZCTEOSA-N 478.557 1.205 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1359299276 ASHFNKGPMVIINZ-IRXDYDNUSA-N 498.650 1.564 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359305174 VFGNHNFEPITYLC-OAQYLSRUSA-N 481.557 1.234 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1359327578 FPQZYWPMIALWCT-OAHLLOKOSA-N 499.435 1.941 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cccc(CN2CCOCC2)c1 1360670998 ARRPLWZYFYRHNF-SFHVURJKSA-N 487.630 1.509 30 10 JDEE CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1469154984 CELLCUQNIPARGT-BPFYBUMWSA-N 452.602 1.654 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(NC(C)=O)c1)[C@@H]1CCS(=O)(=O)C1 1507632099 WTRXZLYIVIFHLW-LJQANCHMSA-N 465.539 1.369 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1c(CC)nn(C)c1CC)[C@H]1CCS(=O)(=O)C1 1507632783 PRBSMSMNJWUPLW-MSOLQXFVSA-N 474.631 1.705 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCOCC1 1507691501 IUBUBAZRTWJXLJ-MOPGFXCFSA-N 462.595 1.767 30 10 JDEE C#CCSCCn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1507757907 DGVBWTJBVYHICH-QFIPXVFZSA-N 464.636 1.927 30 10 JDEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1507789615 FYHWCBFMVRLMNL-GFCCVEGCSA-N 466.365 1.392 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCS(=O)(=O)C1 1508007813 GQPOKZGJSDSQKH-AEFFLSMTSA-N 482.603 1.947 30 10 JDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCS(=O)(=O)N1CCSCC1 1508998629 FCXIYTWRXNKADY-UHFFFAOYSA-N 490.659 1.373 30 10 JDEE CCC[C@@H](C)C(=O)NCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1514271654 FMOQERSVXILNNF-GOSISDBHSA-N 481.605 1.562 30 10 JDEE CO[C@]1(Cn2c(C(=O)NC(C)C)nnc2N2CCCN(Cc3ccc(C#N)cc3)CC2)CCOC1 1517924328 GBKLOJMNKJLYRI-VWLOTQADSA-N 481.601 1.806 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1539202892 LWGFNSVMPPMIHF-CQSZACIVSA-N 452.487 1.597 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(C(N)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1539210963 FKOFYPFSJNAOQE-GOSISDBHSA-N 484.969 1.767 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1539215644 HVFVJYFOENGSFT-FQEVSTJZSA-N 459.620 1.427 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(C)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539219988 GJQVIKQRTJRLKD-MJGOQNOKSA-N 457.556 1.221 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539221057 NHBDISSUAIQDCM-IPMKNSEASA-N 492.623 1.274 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCSc2ccccc2)CC1 1539468960 KRPRVPFZUPPLAD-KRWDZBQOSA-N 490.655 1.646 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCn2cc(CO)nn2)CC1 1539473838 DLZQRAYFNUPNSU-UHFFFAOYSA-N 478.557 1.094 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(S(=O)(=O)NC)c1 1539556367 BRYBZHWRIFRTMO-LAUBAEHRSA-N 477.612 1.129 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C)c(C)s1 1539557356 RLYIJMZUTQBQAM-OXJNMPFZSA-N 464.617 1.725 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1540866599 SUYKTVVSERUWMV-OAHLLOKOSA-N 489.983 1.829 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1540868129 SPFLKBBFHAPSIN-INIZCTEOSA-N 459.551 1.316 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1540873863 MKLMBXHKGIWQKD-UHFFFAOYSA-N 452.559 1.481 30 10 JDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1552733767 HXKDFZAVSSHKOS-SFHVURJKSA-N 460.560 1.220 30 10 JDEE CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 1561476120 DWDMJZIMAZQSCL-UHFFFAOYSA-N 451.574 1.295 30 10 JDEE C=CCN(C(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC)[C@H]1CCS(=O)(=O)C1 1562645778 AIMGWWMHXAFDIN-INIZCTEOSA-N 457.574 1.137 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588035934 ZPJYECIEPAHWEJ-WEMPKCCASA-N 466.604 1.372 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(C[S@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1588045065 GOGUSICBIWHSBG-CGKQSPDFSA-N 485.635 1.837 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1588069683 SKAPVBOWJWPXHB-NFBKMPQASA-N 458.584 1.496 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN(C)CC(F)(F)F 1588110194 ZFHQTROSDNEGNG-UHFFFAOYSA-N 457.464 1.878 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1588923763 LNMLHMDGDMLEIK-UHFFFAOYSA-N 493.593 1.316 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOCCCC 1589215859 GKQNZLUHOCTWBO-WIYYLYMNSA-N 453.609 1.810 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CNC(C)=O)CC1 1589494176 KPAIHKMRUSMCMZ-IPELMVKDSA-N 468.624 1.222 30 10 JDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 1595416619 HPKVGEHOFKDYLY-INIZCTEOSA-N 456.524 1.865 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1595496994 NDQXQIXSPGSRNN-DMPWYTOCSA-N 456.503 1.928 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1595766652 VIKZGHPVOPXTGD-QGZVFWFLSA-N 496.611 1.339 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1595777832 REBSSIIZSCLVLV-INIZCTEOSA-N 477.587 1.620 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1595798192 NHBSMFRRRBRTIV-GJZGRUSLSA-N 451.515 1.456 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1595811907 GSVRHOCKWSHIME-UHFFFAOYSA-N 472.550 1.120 30 10 JDEE COc1ccccc1N1CCN([C@@H]2[C@H]3OC[C@@H](O3)[C@H](NC(=O)Nc3cccc(C#N)c3)[C@H]2O)CC1 1616152861 KONIYMJNZOQGRF-BAHGYDIPSA-N 479.537 1.364 30 10 JDEE CCO[C@]1(c2nnc(N3CCN(c4ccccc4C#N)CC3)n2C[C@@H](COC)OC)CCOC1 1616252392 CUCSLXGSGQKFLG-GBXCKJPGSA-N 470.574 1.790 30 10 JDEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1 1617714120 AIBBNUOBGCJMFR-UHFFFAOYSA-N 490.586 1.006 30 10 JDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)CC1 1619553880 GZUSBFUNCHXUSG-UHFFFAOYSA-N 463.546 1.309 30 10 JDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 1627156686 GZNLDQXEHWNKOG-UTKZUKDTSA-N 454.552 1.575 30 10 JDEE C[C@H](CC(=O)NCC(C)(C)[C@H]1COCC12OCCO2)/N=C1/NS(=O)(=O)c2ccccc21 1629674596 CXKNHZRSRZCYNW-RHSMWYFYSA-N 451.545 1.036 30 10 JDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CSCCN1Cc1ccccc1 1638503784 HJRPDELXVDCMPI-SFHVURJKSA-N 458.609 1.849 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@H]2CCC[C@@H]2N2CCCS2(=O)=O)c1 1689868428 GPPJOOLPODNHDS-CTNGQTDRSA-N 470.599 1.847 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1689977703 AXMJGJXHMRUZND-IBGZPJMESA-N 488.614 1.053 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCCN(CC)S(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1689986017 GZCWWULJGXIBCB-QGZVFWFLSA-N 497.618 1.383 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCOCC2)CC(OCC)C1 1690000218 WCYDJKYNWFEODG-UHFFFAOYSA-N 477.569 1.268 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1690001733 RAEZDUUYQZDSMJ-FGTMMUONSA-N 478.619 1.607 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1690001734 RAEZDUUYQZDSMJ-OKZBNKHCSA-N 478.619 1.607 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)CNC(=O)OC(C)(C)C 1690032741 IBOQJHZYEFIZDP-IAGOWNOFSA-N 466.608 1.512 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1690111395 AVVVLHZQFPKZBT-ICSRJNTNSA-N 465.668 1.154 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCCCS2(=O)=O)CC1 1690114855 JFJKVQSFJPETTB-OAQYLSRUSA-N 473.599 1.685 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCN(C)C1 1690206654 WSJRKYWQYZWHNT-DQMJNTIXSA-N 474.606 1.645 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1690346585 XPALWKIGKSBHSQ-CQSZACIVSA-N 463.947 1.665 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1690672914 HOROFTUYBQPHPO-UHFFFAOYSA-N 454.966 1.885 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[C@]3(CCOC3)O2)C1 1690685802 DLCNEIRSOWYIIH-XKGFGPFHSA-N 469.608 1.398 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCOC[C@H](C3CCC3)C2)nnc1[C@]1(OCC)CCOC1 1690731576 MLZXYAKYIJBGQH-KNQAVFIVSA-N 468.620 1.784 30 10 JDEE CC(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1691591825 HKOUXBLFNWCTQC-ZACQAIPSSA-N 482.607 1.458 30 10 JDEE 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CN(C[C@@H](O)CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O)C(=O)OC(C)(C)C 2282984268 QLUVQKIQNCDKSX-INIZCTEOSA-N 464.368 1.991 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCCO1 2283068650 KPBWMXFDRKKILJ-HNNXBMFYSA-N 462.356 1.532 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2283975948 WPNDAVSXDSCARQ-AWEZNQCLSA-N 483.396 1.647 30 10 JDEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccn2)cc1OC 2296549678 GGJDVPMZSQEAGU-OAQYLSRUSA-N 453.495 1.853 30 10 JDEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3N=Cc3ccc(O)c(OC)c3)CC2=O)cc1 2325880864 ZSFFRHCCHZJSCH-OAHLLOKOSA-N 496.549 1.981 30 10 JDEE Cn1nc(Br)c(Br)c1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2364434605 GREFCLYVULQPIL-UHFFFAOYSA-N 488.977 1.897 30 10 JDEE Cc1ccc(S(=O)(=O)N/N=C2\CCCc3oc(C(=O)NN4CCN(C)CC4)c(C)c32)cc1 40815134 GVXAAQNNQGTRAA-PTGBLXJZSA-N 459.572 1.808 30 10 JDEE COC(=O)[C@@H]1CC[C@@H](CC=O)N1C(=O)[C@@H](CNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 301054651 DYWKOBKAKXHVRP-OTWHNJEPSA-N 491.541 1.928 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)(F)F)c2)c(=O)n1C[C@@H]1CCCO1 609074713 NPWZJVWFLJPFHH-INIZCTEOSA-N 479.480 1.793 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCO[C@](COC)(C(=O)OC(C)(C)C)C2)c1 1169076860 ZLYPCWXGBIBZAU-JOCHJYFZSA-N 451.541 1.683 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1286398927 TZTJYAZVDWZHBZ-YQVWRLOYSA-N 475.619 1.483 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(F)cc1 1286432139 YTKNNWUGTAYEJF-NQIIRXRSSA-N 489.573 1.681 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CCN1CCCS1(=O)=O 1286434764 WRQMCBQCUAUUIA-UHFFFAOYSA-N 457.556 1.364 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1286456561 SHYHDUFKTPKYPF-NKWDDMGQSA-N 477.500 1.535 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(OCCN(C)C)c2)CC1 1286483192 AXLCUQVABNLXDZ-UHFFFAOYSA-N 465.602 1.144 30 10 JDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1286638978 SOFPCXLBTMSJJB-NQIIRXRSSA-N 453.609 1.899 30 10 JDEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1286670012 ALYNWIASLFWSKY-UHFFFAOYSA-N 481.601 1.758 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1286793820 MSVWYLXFOUXXCJ-HXUWFJFHSA-N 468.558 1.332 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286822591 GQXIRRSMGLDFML-LJQANCHMSA-N 488.614 1.576 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCC(C)(C)O)C[C@@H]2C)CC1 1286886129 AVZKHNDWNZLWCU-WMZHIEFXSA-N 495.628 1.879 30 10 JDEE CC1(C)CN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CCO1 1289042862 GJHRCSHIFNDFPY-FQEVSTJZSA-N 472.615 1.941 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc[nH]2)n1CCNC(=O)C(C)(C)C 1291194806 DYHARTPXYKQERS-INIZCTEOSA-N 462.562 1.812 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1300364060 HNPNIEWBBOZWAJ-RTBURBONSA-N 462.620 1.566 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1300409343 HUCSCIDQVPRVNF-LEWJYISDSA-N 489.598 1.611 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300483467 LRWIKYHXSOOFIE-WIYYLYMNSA-N 468.583 1.164 30 10 JDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1300622410 XTKREQGVPJTRNE-MRXNPFEDSA-N 452.490 1.949 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC(C)(C)C(=O)NCC)CC1 1300688532 HPUDTLPFTQCLCW-UHFFFAOYSA-N 484.601 1.888 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1300710851 NWRYTLPXALTPQV-HXUWFJFHSA-N 469.634 1.600 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCNC(=O)[C@H](C)CCC)CC1 1301086322 HTFMMOKPWRXBES-MSOLQXFVSA-N 468.624 1.320 30 10 JDEE C=CCCOCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1301240934 IJDGTMLIETUMOH-HXUWFJFHSA-N 451.531 1.879 30 10 JDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)CCO1 1301404373 DQKHBHXUOMYCOS-HXUWFJFHSA-N 475.571 1.405 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(OC)CCCCC2)C1 1301555545 CMESPUKUBBPIAQ-RTBURBONSA-N 483.635 1.742 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1301577169 FPNYAFVGQKZQFY-KRWDZBQOSA-N 496.611 1.678 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](NC(C)=O)C1 1301586272 JPZNYOPOKHFPAD-GOSISDBHSA-N 471.587 1.222 30 10 JDEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CC1 1313653972 GHWPFJBCRRVPSN-UHFFFAOYSA-N 474.516 1.782 30 10 JDEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)C1 1316354171 AQZSYAULKRKGEE-GOSISDBHSA-N 487.586 1.425 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCC(F)(F)F)cc1 1316533857 GNRLILGPPAIWSV-SFHVURJKSA-N 451.384 1.849 30 10 JDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1358952339 HEAMWUZIYVZUSN-MRXNPFEDSA-N 454.531 1.822 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCCS1(=O)=O 1359007448 KJPBIWUXANTHLK-UHFFFAOYSA-N 469.571 1.170 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCOC[C@@H]1C 1359015153 KAROYIBAKSBUAL-ROUUACIJSA-N 478.594 1.388 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCOCCCO)CC1 1359045867 WJTMQXXQFBTARR-OAQYLSRUSA-N 469.542 1.155 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1359202950 FZGJHSSWNIBFIW-PMACEKPBSA-N 482.651 1.126 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1359291168 HCZTWTSJJAVIIU-UHFFFAOYSA-N 494.600 1.703 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1359293673 WWUYKPQFSFSTQY-LEWJYISDSA-N 466.586 1.950 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1359294562 XPSLQMSLICMCPV-CALCHBBNSA-N 457.535 1.701 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1359299378 DCSWPDHHTGNARH-GOSISDBHSA-N 485.976 1.537 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](CCC)C1 1359300715 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474.583 1.512 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1539220895 WENKDKBKWXKRPH-KRWDZBQOSA-N 480.587 1.212 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1539221016 XXCJEQRIGSMAFU-SFHVURJKSA-N 457.535 1.304 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539232055 ZAVJTMGQPVLRKB-FYQPLNBISA-N 465.620 1.113 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCn1cnnn1 1539265702 JOTSXUMYTJRRKZ-UHFFFAOYSA-N 453.551 1.542 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCc2ccccc21 1539417181 YKPYSUOHHIJNOO-AZUAARDMSA-N 457.600 1.717 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1539615807 MEOZPONVBIFHLA-MANSERQUSA-N 482.651 1.563 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1539706218 CDMHOAMHSINUGH-GOSISDBHSA-N 478.550 1.179 30 10 JDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 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C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H](C)C#N 1595766576 UGVKRUHSDAFHMN-HNNXBMFYSA-N 451.574 1.545 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1595884293 JLUJTHRVUJWTRW-FXAWDEMLSA-N 455.650 1.400 30 10 JDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1595901064 OGKGOJYARPGREB-OAHLLOKOSA-N 489.627 1.662 30 10 JDEE CC(=O)N1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1596158220 QEEMOIQPBAKJEY-YFUCQSNDSA-N 497.531 1.752 30 10 JDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1596428896 BGRAWHVUQJCGPL-ICSRJNTNSA-N 471.587 1.203 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)c1ccccc1 1611307612 DNNUVELFTVOYAQ-DLBZAZTESA-N 465.601 1.783 30 10 JDEE COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)/C(=C\NCCOCCO)C(=O)C[C@@H]1C)C2=O 1615242956 QFWPDMARIIBIED-VPIAWFGTSA-N 453.875 1.332 30 10 JDEE CNS(=O)(=O)c1cc(NC(=O)CN2CCN([C@H](C#N)c3ccc(F)cc3)CC2)ccc1C 1617146433 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C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1690238639 LWJUVNFDZCFRKQ-KSCVBYKOSA-N 453.609 1.731 30 10 JDEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1690279524 NLAGJLHOLWIABQ-UHFFFAOYSA-N 456.938 1.641 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1690432517 FXSKUVNETRCWJZ-WZONZLPQSA-N 497.662 1.988 30 10 JDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690438071 YUXCNMFDZGXGON-UHFFFAOYSA-N 457.623 1.747 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1690655293 NSPLUCZISJDUHK-UXHICEINSA-N 457.623 1.907 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1690670651 GNMAKEMKZLYIOK-XDHUDOTRSA-N 487.605 1.554 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1690673195 RGIUXBFKGJDXRQ-GOSISDBHSA-N 471.562 1.296 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1690676292 VRFHTKBBODOIBG-QGZVFWFLSA-N 473.965 1.853 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)Nc2ccc(F)cc2)C1 1690699685 HZLSYRUJTSLZPQ-YJBOKZPZSA-N 463.535 1.739 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccsc1 1690715586 ONDPWRVZBUWXFJ-GOEBONIOSA-N 473.646 1.892 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1690724218 KKLKLSHEXCETPE-WBVHZDCISA-N 483.616 1.228 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1690724333 MQWFCXCIXKWUPX-NRFANRHFSA-N 494.706 1.768 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@](C)(N2CCOCC2)C1 1690725605 WAWCRLVDNUMCAD-DEOSSOPVSA-N 489.642 1.779 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N2CCOCC2)nc1 1694352477 CCLXTUVXNWSFHB-IBGZPJMESA-N 468.562 1.205 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)N1CCSCC1 1705480060 QTFWVFURBXMWFP-PXNSSMCTSA-N 471.649 1.155 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)N(C)C)c1 1705504532 ZGYLDBZIZFWQNX-HSZRJFAPSA-N 454.531 1.075 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1705558590 CEAYNADNLRWDOU-GBESFXJTSA-N 461.588 1.122 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1cc(C)ccc1OC)[C@H]1CCS(=O)(=O)C1 1705559211 UMVKANIITVMQCP-FQEVSTJZSA-N 485.610 1.701 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1705559798 BMTQVQJFPQFBJK-MRXNPFEDSA-N 491.524 1.833 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CCCN1c1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1705560517 LEXQQXYKCUTQEA-QRVBRYPASA-N 459.620 1.821 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1705563388 WPBMISOUIBCJNE-OXJNMPFZSA-N 467.979 1.408 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1705563484 YOELWYAHNJOHHZ-LJQANCHMSA-N 454.556 1.360 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCN(C)C(C)(C)C1 1705572423 ASLFLPJMWLPOGJ-UHFFFAOYSA-N 482.032 1.960 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(C)CCO[C@@H]2C2CC2)CC1 1705644524 SWHOGTQKKLCHTM-DVECYGJZSA-N 456.591 1.587 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[C@@H]2CCCCO2)CC1 1705645064 KHBDPWAWPWGRBZ-MJGOQNOKSA-N 480.635 1.203 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ncnn2C(C)(C)C)CC1 1705645241 OSNVQHVVFIDNNT-XMMPIXPASA-N 484.605 1.291 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CC1 1705646604 JREAUSBYFJOSOY-UHFFFAOYSA-N 462.554 1.714 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1705648662 VTNVUQHQBKZXCI-FGZHOGPDSA-N 499.660 1.081 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)CC1 1705708437 CJERGLKBPJGGJQ-PXNSSMCTSA-N 458.588 1.919 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1705736918 GIKLGUFWWOEATP-OALUTQOASA-N 485.651 1.988 30 10 JDEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705804603 HBSPFOYTHQNSAP-UHFFFAOYSA-N 467.574 1.512 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1705819719 SKYWVSZOWYIHOS-FQEVSTJZSA-N 478.663 1.671 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(NC(C)=O)c1)C1CC1 1705854686 MVLRHAJIDWJMMH-FQEVSTJZSA-N 474.587 1.773 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC(=O)NC(C)C)C1 1705922476 NKUYZKJDAHJUQP-QGZVFWFLSA-N 475.619 1.934 30 10 JDEE Cc1cc(C)n(Cc2nnc(N3CCCN(Cc4ccc(C#N)cc4)CC3)n2CCS(C)(=O)=O)n1 1707830875 AXYVMXRBVCDUMC-UHFFFAOYSA-N 496.641 1.768 30 10 JDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722333652 NJMRFGWKBCRXMP-IBGZPJMESA-N 457.604 1.879 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccc(OC)c(OC)c1 1722352779 PSKGNWHVPRDWMD-HXUWFJFHSA-N 477.587 1.330 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1722366077 OVSRIHVHTMSKAO-IBGZPJMESA-N 484.607 1.408 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)c(F)c1 1722390773 UPGMTRJUGUWDHG-SFHVURJKSA-N 488.589 1.375 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2ccccc2OC)CC1 1722437693 PDIVHHMPPLRFBV-RBUKOAKNSA-N 473.599 1.412 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(F)ccc1N1CCOCC1 1722449984 XDVQIJSOANFXBG-IBGZPJMESA-N 456.522 1.339 30 10 JDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722453691 BZURUPROGRQGKP-MRXNPFEDSA-N 450.586 1.952 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CCCO2)CC1 1722462948 ZLLNMWGKKUHAOP-OALUTQOASA-N 483.660 1.373 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1722532380 KMCDBHMXOZKDIZ-XVAXZDLZSA-N 487.649 1.639 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1ccc(F)cc1 1722681598 NTKPCVWOZNXDRP-OAHLLOKOSA-N 451.524 1.597 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1722688612 HFVKJLPJQWWLRA-OAHLLOKOSA-N 461.364 1.972 30 10 JDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722702860 SLSRWTVEKZCVCJ-UHFFFAOYSA-N 478.601 1.230 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)C1 1722749690 IUVXGIYBNMDETF-MRXNPFEDSA-N 467.617 1.642 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(CC)n1 1740549345 FLTLWFVIZTZZLC-GDBMZVCRSA-N 452.606 1.331 30 10 JDEE C#CCN(c1nnc(CC)n1CCCN1CCN(c2ccncc2)CC1)[C@@H]1CCS(=O)(=O)C1 1740624612 ILPPANXKKXQXFE-OAQYLSRUSA-N 471.631 1.075 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1740624680 KTMNFTLREUQJCB-LJQANCHMSA-N 454.556 1.520 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740626256 WCHPDOFLWCIQJD-LJQANCHMSA-N 476.647 1.292 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(CN2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 1740628164 VXOBJASRGULSES-HSZRJFAPSA-N 485.654 1.984 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740628857 VLNNZOREGRFAJO-IBGZPJMESA-N 487.626 1.955 30 10 JDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1740696740 DTRULOPTGPFZKL-QHCPKHFHSA-N 499.610 1.845 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CSCCS2)CC1 1740700470 AOPJBCQNSPHQCM-QGZVFWFLSA-N 485.639 1.740 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCNS(=O)(=O)c1ccc(C)s1 1740733684 KDSGKCXNSIZJLS-OAQYLSRUSA-N 476.628 1.741 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1740751240 ZUDRTRMBVFNOBA-ICSRJNTNSA-N 494.662 1.746 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1740958258 MHSDDNSDJJLPHP-MOPGFXCFSA-N 452.559 1.964 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1740960507 UBLSSBHOKGALKI-UXHICEINSA-N 478.663 1.431 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ncccn2)CC1 1740988836 QWLNTKOMMOURDM-UHFFFAOYSA-N 474.978 1.711 30 10 JDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1745953372 HIFXFJGZZRGSSC-HXUWFJFHSA-N 472.615 1.941 30 10 JDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1748752248 SZVUCMLAMBZVIS-LJQANCHMSA-N 498.588 1.587 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCc2ccccc2C1 1748791342 SKSXLPUYPDNCFA-OAQYLSRUSA-N 472.615 1.129 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1748802074 KSUWOBQKEVKENR-HOTGVXAUSA-N 460.585 1.305 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1748818755 FTCGYJPETFIIAJ-SFHVURJKSA-N 458.588 1.053 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccsc1)N(C)C 1748860630 YPHNQOTZUGIAFC-RBUKOAKNSA-N 476.628 1.048 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1749004849 OGWNPKQTRIWXOJ-DFQSSKMNSA-N 494.662 1.305 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2([S@@](C)=O)CC2)CC1 1749006028 GHLRJILSSLDBFY-JGCGQSQUSA-N 455.584 1.831 30 10 JDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749039835 CPRHIJUNDDNERA-LJQANCHMSA-N 453.572 1.397 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C2CCOCC2)CC1 1749653225 ZAUUMQZOKUGSTM-UHFFFAOYSA-N 492.422 1.649 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1749669616 IZEXAAZUEWJRJA-GOSISDBHSA-N 457.579 1.006 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nc(CC)ns2)CC1 1749676190 HYNKKPQZYUEXIQ-UHFFFAOYSA-N 453.576 1.307 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1749677057 MEXJBFZQLDPIJR-FYYLOGMGSA-N 481.645 1.806 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)S[C@@H](C)C1 1749730813 RNVCWIFUEIPGKM-KBPBESRZSA-N 453.590 1.937 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1749732556 YWMIUZPUOYJDPQ-MRXNPFEDSA-N 492.627 1.162 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCN(c2ccncc2)CC1 1760096546 NLADHWQXIWKPRW-HXUWFJFHSA-N 473.585 1.991 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1760181436 VPCSKWGDMHWYRZ-PGRDOPGGSA-N 468.620 1.618 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1760181796 BQLQHTDHCFKODD-SXLOBPIMSA-N 479.647 1.884 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1c(C)nn(C)c1C 1760195960 CBCMLORMIFKTBO-UHFFFAOYSA-N 465.583 1.667 30 10 JDEE C#CCSCCn1c(C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1760274867 OFHXNQCYXBXHTC-OAGGEKHMSA-N 455.606 1.079 30 10 JDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(CC)CCS(C)(=O)=O 1760307319 PMPNIJOQNAZXIM-UHFFFAOYSA-N 460.354 1.785 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(N)=O)CC1 1760321295 DXAUJFIXZVWROG-AOIWGVFYSA-N 451.593 1.253 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1760521554 WVYMKOHOBGQOAS-INIZCTEOSA-N 485.589 1.687 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1760553203 OBVZMHNNSACCAN-LJQANCHMSA-N 494.065 1.811 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)CCO1 1760673533 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1874292460 DWEYQNWECWVNIS-ZVBGSRNCSA-N 458.456 1.939 30 10 JDEE COc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1Cl 1889657833 XEYZUODPBSVGGW-UHFFFAOYSA-N 456.008 1.769 30 10 JDEE COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4ncccc4C#N)CC3)OCC(=O)N2C(C)C)cc1 1892130309 WVYNOOKHVGZCTC-XZOQPEGZSA-N 463.538 1.988 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2255642695 KERGZBPNAHWEOW-ZDUSSCGKSA-N 453.370 1.496 30 10 JDEE Cn1cc(C(=O)N2CCOC[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267522682 YGOQMCOHDHSCLO-AWEZNQCLSA-N 450.345 1.085 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@](O)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2267540270 WJALNGAMSGYIRO-NRFANRHFSA-N 467.397 1.934 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CO1 2267710212 PTYCNMXQLBZPLP-KRWDZBQOSA-N 468.381 1.956 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CO)CNS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2267710611 YINJDCOBUFNDSL-CYBMUJFWSA-N 474.360 1.289 30 10 JDEE COCC1(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CN(C(=O)OC(C)(C)C)C1 2267711394 KNMBRFHVWZYYNO-UHFFFAOYSA-N 488.437 1.962 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268609933 OONRACBLZRMBLX-LSDHHAIUSA-N 467.397 1.988 30 10 JDEE Cc1nn(C)c(C(=O)NC[C@H]2CNCCN2Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2281985417 JQWRTDGWCVCRLZ-LJQANCHMSA-N 453.396 1.232 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@H](CCNC(=O)OC(C)(C)C)C1 2282329716 QLAAPMFNNWGKBG-HNNXBMFYSA-N 484.428 1.645 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]2[C@@H]1CO 2282577829 KGIUXQZKRGGZBW-DZKIICNBSA-N 462.356 1.009 30 10 JDEE CO[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nn(C)c2C)C[C@@H]1NC(=O)OC(C)(C)C 2282599174 NXIAHRCMPYOJHF-LSDHHAIUSA-N 464.372 1.392 30 10 JDEE Cn1nc(C(=O)N=[S@]2(=O)CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282619884 XKSHYLSKIAZFOX-UUBFPDNSSA-N 482.412 1.872 30 10 JDEE 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COc1ccc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@H](O)COc2ccccc2C)cc1 254735608 NLBSMPGUMUHSFY-SFHVURJKSA-N 492.536 1.637 30 10 JDEE COc1cc([C@@H](C)OC(=O)[C@H]2CSC(=c3nc4c(s3)=CC(=O)C=C4)N2)c([N+](=O)[O-])cc1OC 255983805 KQVRVPOUBLPROI-QMTHXVAHSA-N 489.531 1.520 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1 512718183 JUKWNVJMGUQMCI-UHFFFAOYSA-N 474.558 1.615 30 10 JDEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 518714179 FHDMSJMVWGNSRL-UHFFFAOYSA-N 497.479 1.582 30 10 JDEE O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)NCC(=O)ON1C(=O)CCC1=O 642881779 YWPGJWLLWYHMEN-UHFFFAOYSA-N 451.435 1.249 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 1230746830 QKPLAFQRKVOUTG-UHFFFAOYSA-N 457.618 1.537 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCN(C)C 1286296477 PGVKOVNBWRWRRC-ZWKOTPCHSA-N 450.584 1.623 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC(=O)NCc2ccco2)c1 1286308577 KGFUUDPPOXTLEC-UHFFFAOYSA-N 477.525 1.382 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@@]2(C)CN(C)C2=O)c1 1286310007 AJHUBHWZILKOIL-RUZDIDTESA-N 457.538 1.798 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(F)c(COC)c1)[C@@H]1CCS(=O)(=O)C1 1286382079 QJJJZJWLVDBTCQ-GOSISDBHSA-N 477.562 1.377 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1286384521 REKCBCKEOISAAS-OFNKIYASSA-N 473.599 1.503 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCS(=O)(=O)C1 1286454550 KDPGYZCGOOMVAL-DOTOQJQBSA-N 483.591 1.102 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1286599603 BNOUCHGPQPEAOB-LJCCNALRSA-N 457.597 1.254 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ncc(C)s2)CC1 1286780990 UEFWQSXUERHLPB-CQSZACIVSA-N 467.621 1.339 30 10 JDEE Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CC2(O)CCS(=O)(=O)CC2)cc1 1289796454 BNDSFGPCFLDSIX-UHFFFAOYSA-N 459.572 1.845 30 10 JDEE C=CC[C@H](CO)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1295808959 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C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](C)OC)CC1 1300712295 OFOHQWVLWPXQOY-MRXNPFEDSA-N 472.977 1.862 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300913671 YXIAGIWHCAUFBX-SQNIBIBYSA-N 450.609 1.836 30 10 JDEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1301357240 LFSLEJLZYSSMJW-OAQYLSRUSA-N 488.595 1.729 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301519907 SFVSDSQHGBTPAI-HDICACEKSA-N 499.620 1.411 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCO[C@]4(CCSC4)C3)CC2)cc1 1312255133 AYMQHEFREXHCAG-YLJYHZDGSA-N 450.586 1.629 30 10 JDEE CN(Cc1ncc(Cl)n1C)c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1314772751 DJJGMXIDZADUDS-UHFFFAOYSA-N 478.966 1.301 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](N1CCOCC1)C(F)(F)F 1358897199 VGHUTGCJUANOPE-ZBFHGGJFSA-N 470.521 1.991 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(OC)c(O)c1)[C@@H]1CCS(=O)(=O)C1 1358957135 QFBJGOVQWFCUAC-WZONZLPQSA-N 490.582 1.319 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2C[C@@H]2COCCO2)n1 1359027573 OEGNNABIEAMVOZ-HXUWFJFHSA-N 451.531 1.547 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCSC2)n1 1359028265 MJXZMXQHRMLJIG-RBUKOAKNSA-N 492.671 1.806 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1359049213 KOVKROBQJVDIBU-DZGCQCFKSA-N 453.594 1.330 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCCC1(C)C 1359070066 DOBBRKDUVSNYLZ-YHYVQYDKSA-N 465.620 1.544 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC)C1 1359084316 DLKDPSYSAZTHSD-KGLIPLIRSA-N 464.386 1.135 30 10 JDEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CCOC)CC1 1359148801 CLNYXBMLMHNCKS-UHFFFAOYSA-N 454.000 1.759 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1359304101 LKLBXQVZQPGPCB-UHFFFAOYSA-N 468.606 1.671 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1359330718 AQDHXJBGILBFIP-MRXNPFEDSA-N 461.592 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C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1540864849 MYCHYLRNTVUWFT-IBGZPJMESA-N 484.601 1.813 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN1CCOCC1 1540879813 OWTRWMZDXNDXOV-UHFFFAOYSA-N 454.575 1.896 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1540881378 HOSRBVGTGUKVDB-IBGZPJMESA-N 488.614 1.594 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ncnn2-c2ccccc2)C1 1540884975 ZBHWPMSQYLNMKG-WMZOPIPTSA-N 472.575 1.299 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2cccc(C(=O)NC)c2)C1 1540894591 AWRUHLRCQXYVJQ-HXUWFJFHSA-N 452.559 1.784 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(=O)N(C)C)CC1 1540899294 JJNIAVAWVHTVIF-UHFFFAOYSA-N 486.598 1.502 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C2CCOCC2)C1 1540917142 OOQBJVAMQFAILU-MOPGFXCFSA-N 485.676 1.783 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)Cc1ccc(F)cc1 1541115922 HBAQUELYDXHYCE-XLIONFOSSA-N 493.609 1.478 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCCCO4)n3CCCC(=O)N(C)C)CC2)c1C#N 1543001817 DJIZMJRTECDWGI-LJQANCHMSA-N 469.594 1.628 30 10 JDEE COc1ccc(CN2CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2=O)cc1 1565746141 FJBOCSPSRXXTFY-YWZLYKJASA-N 456.524 1.151 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC1 1584999971 HOLWJDLOBUHZMK-QGZVFWFLSA-N 458.563 1.031 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1587861619 OJAGJFYBEDAAFC-ROUUACIJSA-N 496.634 1.375 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1588040574 OPSZWBQOJGMDFW-ZVDOUQERSA-N 474.583 1.632 30 10 JDEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1588045060 GLBIJMKKDWAEDR-WTPASJBYSA-N 471.608 1.889 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 1588885423 WQWABLOMXGDIII-JOCHJYFZSA-N 479.629 1.993 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1589134777 PIIUYNSZKWERKI-ROUUACIJSA-N 464.636 1.999 30 10 JDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1594521432 NBLXPNHWLFZFTE-IBGZPJMESA-N 457.579 1.769 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCO[C@H]1C1CC1 1595219588 XKZNUAIHBNYQQT-IPJJNNNSSA-N 465.620 1.995 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1595551122 MHGZPXXMELBFRZ-JKSUJKDBSA-N 477.591 1.373 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC)C1 1595659435 YJCYOYWRMISMGE-MOPGFXCFSA-N 462.572 1.645 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1595797475 HJIOXOYKHHBQEO-LJQANCHMSA-N 471.587 1.366 30 10 JDEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCC(=O)N(C)C)C[C@@H]2C)CC1 1596267194 GJBWLSBUENHGAO-CVDCTZTESA-N 492.628 1.674 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](C#N)C1 1617345668 ARKLAQOQAAHJMP-OAHLLOKOSA-N 452.968 1.999 30 10 JDEE N#Cc1cccc(-n2ccc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)n2)c1 1618745975 AYIIVYCBSHZJMI-UHFFFAOYSA-N 451.508 1.695 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cccnc2OC)CC1 1619951285 BUNBUROREOFOET-UHFFFAOYSA-N 463.542 1.949 30 10 JDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H](c2cnn(C)c2)C2(CCOCC2)C1 1627978178 BSTGDEVUTQTVJI-UZLBHIALSA-N 457.556 1.381 30 10 JDEE CN(C)CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1638428369 ALKUNYUGGFKKIU-HXUWFJFHSA-N 454.552 1.819 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)NC[C@H](c2ccc(OC)c(OC)c2)N2CCOCC2)CC1 1681350483 RQHNVZCGWFYNOA-HXUWFJFHSA-N 458.559 1.248 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1689931941 MKLCDHMOPFNUFH-FGZHOGPDSA-N 487.626 1.862 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1nncn1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689992688 NTTUPPKUHGITSR-LJQANCHMSA-N 453.572 1.732 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@@H](c1ccc(C)o1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689996920 RFKFREBVJYHPKK-UXHICEINSA-N 491.614 1.416 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1690110439 MMMONFOPMBMAOH-QHCPKHFHSA-N 469.977 1.095 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cl)=C(Cl)C1 1690174623 GBXUVDOHEYQUNQ-HNNXBMFYSA-N 480.443 1.877 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1690622776 XWTPPMAVCCEXNV-OKYOBFRVSA-N 453.609 1.686 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2cnn(CC)c2)CC1 1690723461 SFLDPPWFUIFUTP-SFHVURJKSA-N 461.592 1.430 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1705476332 XMMRLEYSBKUXJM-QAGGRKNESA-N 452.559 1.462 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1705564330 AUFVNCOJLCFYPA-IAGOWNOFSA-N 470.530 1.968 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705565201 HATLSUPHPYXBCJ-ZWKOTPCHSA-N 484.644 1.156 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1705571714 GPGBHJKUDNBTKR-ZVDOUQERSA-N 474.583 1.686 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705890882 OGUSUZBYOXDXGY-CVEARBPZSA-N 475.550 1.245 30 10 JDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1705892211 MGBZBMBSDCLNMJ-HNNXBMFYSA-N 454.560 1.853 30 10 JDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1705907331 ISGMLSFAYUEUOY-UHFFFAOYSA-N 451.575 1.739 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1705937793 FGBSTLYDBCLKIR-JTSKRJEESA-N 480.562 1.981 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1cccc(CN2CCOCC2)c1 1706848708 HDLHTGWMIUJHRW-QZTJIDSGSA-N 475.619 1.507 30 10 JDEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722317923 VYEVGUPJVILRAK-UHFFFAOYSA-N 467.965 1.661 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC(F)(F)F 1722351600 KJIQQXZUAKFHOJ-QGZVFWFLSA-N 487.504 1.670 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722359961 BREXFNNNJMDQHY-IBGZPJMESA-N 473.603 1.096 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722361130 LJRHVECYWPFVRJ-ZVDOUQERSA-N 473.647 1.673 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1722366173 HCQDQJJSBYJGOT-UXHICEINSA-N 476.624 1.358 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1722401024 IQWCOTCRALNNGM-QHCPKHFHSA-N 456.568 1.486 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](OC)C2CC2)CC1 1722443987 RTKMHOIEEYAUHD-YKSBVNFPSA-N 459.591 1.710 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1722505819 ASLVEXCSBKMRPZ-UZKOGDIHSA-N 455.559 1.810 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1722523533 YBWQOBMGJBJAMU-OAHLLOKOSA-N 493.615 1.924 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCNC(=O)c2occc2C)CC1 1722566040 ICOZMPLXEAOADT-SFHVURJKSA-N 492.602 1.489 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722697812 QITHUYRCKDDDLI-QGZVFWFLSA-N 485.570 1.420 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCc3c(ccnc3O)C2)nnc1[C@]1(OCC)CCOC1 1722731994 SOLRJOAIGFYWHJ-NRFANRHFSA-N 463.560 1.194 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCSC2)c1 1740561320 BAWPEJACOQRCFP-DOTOQJQBSA-N 476.628 1.698 30 10 JDEE C#CCCCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1740572846 YWVANYCEIAILNC-UHFFFAOYSA-N 450.543 1.256 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740624609 KDVQVZJSIHLFDU-QZTJIDSGSA-N 490.655 1.237 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC=C 1740639696 DYOMJWGPYNZAJB-NRFANRHFSA-N 469.567 1.297 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1740645951 NOBSKYANWPNSHC-RBUKOAKNSA-N 492.646 1.998 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(Cl)cc2)CC1 1740691317 ZESSSKDLAKBJKK-INIZCTEOSA-N 450.996 1.540 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCN(CC)CCC(F)(F)F)CC1 1740698261 CFVZBSTVZBPCPU-UHFFFAOYSA-N 455.529 1.430 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCCCS2(=O)=O)CC1 1740707028 LXLGNVSASKRISF-HXUWFJFHSA-N 487.601 1.941 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCS(=O)(=O)CC)CC1 1740707308 XPIOEVITSXYPLY-UHFFFAOYSA-N 461.563 1.409 30 10 JDEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740711410 NJQKTDGMNNOGFJ-INIZCTEOSA-N 481.420 1.754 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1740823106 XNZLKZQPPCOEGR-GFCCVEGCSA-N 495.915 1.599 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1740824898 FAVHFAVHNLEGPC-QGZVFWFLSA-N 450.586 1.788 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1740971470 XIFKPERRAVTQMM-QGZVFWFLSA-N 462.576 1.088 30 10 JDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1)N(C)C 1741862331 GKDLJVSHAHEOKG-TZIWHRDSSA-N 453.591 1.837 30 10 JDEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(O)CCOCC2)cc(OC)c1OC 1748520461 ABSPTUIBZCDILJ-NRFANRHFSA-N 461.494 1.954 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1748719189 WFALMWXSFVRIFP-QZTJIDSGSA-N 494.643 1.757 30 10 JDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1748801952 KKWKJSRENXKNCP-VQIMIIECSA-N 494.017 1.771 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1748824586 RAJQIGOZHUYRKP-FQEVSTJZSA-N 468.583 1.828 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCS(=O)(=O)C(C)(C)C)CC1 1748986580 CJAUACJEZFGBKQ-UHFFFAOYSA-N 497.625 1.161 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCS(=O)(=O)CC)CC1 1749014177 FZSPVAIWGYEOIH-FQEVSTJZSA-N 487.582 1.191 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1749015507 XRDVRIDJIFKUPG-AQNXPRMDSA-N 477.631 1.207 30 10 JDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ncccc2F)CC1 1749251665 HVELHXHDQWXFGU-CQSZACIVSA-N 457.963 1.892 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1749457724 PAWLDQGOEJUNDL-OALUTQOASA-N 463.608 1.823 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1749575386 QMELLADNFWNBDN-VGOFRKELSA-N 497.618 1.315 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1749680538 MFZNEQMWNHSCCI-KRWDZBQOSA-N 477.587 1.571 30 10 JDEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](COC)O[C@H](C)C2)cn1 1749851525 FTXKIYUDPOVOJZ-UTKZUKDTSA-N 451.531 1.948 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1750967718 HJUDJZSYQIKURO-HXUWFJFHSA-N 485.614 1.045 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1760117371 OCMRJUCQCOUGCL-ZVVDCOBXSA-N 466.652 1.579 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(C(=O)NCC)cc1)[C@@H]1CCS(=O)(=O)C1 1760183593 BYQHVHOVPJRALM-HXUWFJFHSA-N 478.578 1.765 30 10 JDEE C#CCN(c1nnc(-c2ccc(Br)s2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1760184955 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1.848 30 10 JDEE COCc1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1315855621 GRGRNQGMFMLZBY-REWPJTCUSA-N 488.614 1.936 30 10 JDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)N1CCSCC1 1358936936 BZQNMFAEZCSEAE-UHFFFAOYSA-N 476.628 1.595 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1358959645 NACOQDJCGMKJFM-QKNQBKEWSA-N 458.584 1.932 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1358966383 NTJMFUNMYPVMGW-MRXNPFEDSA-N 463.510 1.354 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1358966596 RWXYGWVKRNKMEY-RBUKOAKNSA-N 468.645 1.605 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1358968079 YUNPLEAUYJOHAB-HXUWFJFHSA-N 483.598 1.554 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)NCCOC)CC1 1359098666 DKCDMMIQZDVJHP-UNMCSNQZSA-N 460.623 1.802 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1359295794 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C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3[nH]c(C)c(C)c3c2)CC1 1507722302 UDPHGCUUVIOKFK-GOSISDBHSA-N 469.615 1.790 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1507794651 AALYSOPNVLPTSU-MKXGPGLRSA-N 486.660 1.565 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1507845242 YHEVNLSBSVHLCB-FPOVZHCZSA-N 496.678 1.514 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1508002361 GBZVBJIABHYSTC-KFGJJWJMSA-N 496.593 1.899 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1508047359 GDNRLMFLGRVBSL-KRWDZBQOSA-N 459.532 1.651 30 10 JDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1508070913 GHCKWYSRPGCDKO-RZFLPCETSA-N 497.618 1.315 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1508093904 KYXWPJZRQXKEQC-LJQANCHMSA-N 499.591 1.431 30 10 JDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCCS2(=O)=O)c1 1519505909 DRCNHGWFBFAYFW-XLIONFOSSA-N 481.575 1.758 30 10 JDEE C=C(Cl)C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O)C(=O)OCC 1531941045 YCJVZMXVSUECSF-BTYIYWSLSA-N 451.907 1.961 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1539071498 AKQURGNBKOICCS-IBGZPJMESA-N 499.597 1.700 30 10 JDEE C#CCCCn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1539139364 DHNDBKHIJSLXBB-UGKGYDQZSA-N 465.620 1.736 30 10 JDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1539201678 BTAKMISNUCCNEW-QZTJIDSGSA-N 497.980 1.473 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](N1CCOCC1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1539211459 MCQXBDKYWHLPIW-RTBURBONSA-N 497.543 1.835 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1539229624 FMQSAEDOZOOMPQ-INIZCTEOSA-N 475.962 1.314 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1539259521 DYRZTCAWSUCSLD-SFHVURJKSA-N 478.578 1.573 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1539271505 DQSCYLOCBBOSFH-NHCUHLMSSA-N 452.584 1.541 30 10 JDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(-n2cncn2)nc1 1539278519 FKVWAHAROZJLLQ-UHFFFAOYSA-N 454.494 1.963 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCOCC1 1539326008 QMDKRRBAKWRHPW-NRFANRHFSA-N 486.617 1.772 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCS(=O)(=O)C1 1539391771 ISUVWSFKSSJYOQ-ROUUACIJSA-N 480.587 1.394 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1539452470 UBQKTBBPVUBEBF-GOSISDBHSA-N 480.635 1.192 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCNC(=O)OC(C)(C)C)CC1 1539459866 QMNORURIYJSKAO-UHFFFAOYSA-N 456.595 1.810 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@](C)(O)C2CC2)CC1 1539489296 KPSHZJQETPLJET-VWLOTQADSA-N 467.570 1.993 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1539704461 CXXZHTUPWZPPJW-HXUWFJFHSA-N 494.662 1.852 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1540074261 XFTFRMYFXAEFDL-HUUCEWRRSA-N 466.530 1.117 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@H](CO)O1 1540179878 CDJNUNYUFDVFHO-PCCBWWKXSA-N 460.600 1.955 30 10 JDEE C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1540853635 GBWYQEUXYSFXNC-KRWDZBQOSA-N 468.558 1.930 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1540864347 XIZPWLQFYLWAOF-RBUKOAKNSA-N 465.558 1.595 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1540898942 ZDLJQHWMZNZDPG-FQEVSTJZSA-N 472.571 1.866 30 10 JDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 1543756833 NEVCVYGSCNMGJN-CABCVRRESA-N 453.989 1.627 30 10 JDEE CCn1cnnc1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1547626744 ASBNHBQEIXBACC-UHFFFAOYSA-N 476.589 1.660 30 10 JDEE CNS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1554506871 HVGFSWTXAGPVQY-UHFFFAOYSA-N 461.567 1.822 30 10 JDEE CC(=O)N1CCN(c2ccc(C(=O)N(C)C[C@@H](O)c3cccc(C#N)c3)cc2[N+](=O)[O-])CC1 1557384281 LVIBUJQMUNJLQN-JOCHJYFZSA-N 451.483 1.941 30 10 JDEE CC[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@@H](c1ccc(C)cc1)n1cncn1 1558953990 GDIIRUPCJVDXSW-RBBKRZOGSA-N 452.540 1.921 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCc3c2ccc(F)c3Br)CC1 1564753443 UKLPGZHKESBQPJ-HNNXBMFYSA-N 459.341 1.370 30 10 JDEE COc1ccc(CN2CC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2=O)cc1 1565746139 FJBOCSPSRXXTFY-MGPUTAFESA-N 456.524 1.151 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC2(C(N)=O)CCOCC2)c1 1587689759 QAIJOTPSWFGQCK-UHFFFAOYSA-N 476.541 1.017 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1588025349 XEWPVDYVDFQXBK-IBGZPJMESA-N 473.599 1.684 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1588029563 IYVOKMYDFUUGKT-HKUYNNGSSA-N 464.636 1.165 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCCOCC)[C@H]1CCS(=O)(=O)C1 1588049954 OIQDILLZPJTSSL-INIZCTEOSA-N 463.560 1.449 30 10 JDEE C#CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1588059231 KBJRGBFMYMVSGZ-ZWKOTPCHSA-N 497.618 1.250 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CCN1CCN(C)C(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1588065420 YHFABKKRXKRHPF-HXUWFJFHSA-N 490.699 1.583 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1588069100 HHWZCVJCLNYNHD-IRLDBZIGSA-N 498.653 1.548 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(C)CN(C)C1=O 1588133607 IZUTZVHEYQOZJW-XMMPIXPASA-N 454.575 1.944 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(S(C)(=O)=O)CC1 1588574747 RECXWIOKOAZJPY-UHFFFAOYSA-N 459.572 1.810 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCN(C)C(C)(C)C1 1588613348 XULSKMFIKQUFJA-UHFFFAOYSA-N 454.575 1.786 30 10 JDEE C=C(C)Cn1c(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1593684632 ZFWSQDVDDUBKOZ-XUZZJYLKSA-N 462.639 1.738 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1594455416 QIRDSNIXRLZGGM-RBUKOAKNSA-N 495.694 1.624 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)nc1 1595161750 KPSYTDKKOUNMPD-MRXNPFEDSA-N 472.596 1.977 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCN(C)C1 1595219098 PUVPIVLBXLGMFZ-WZONZLPQSA-N 462.595 1.832 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)NC[C@H]2C1 1595517125 QDVLEHYMEDLZEM-ZDUSSCGKSA-N 460.336 1.224 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(C)(C)C)C1 1595538106 ZVDORNBETMMPHA-SFHVURJKSA-N 465.558 1.746 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1595822382 GRJNYWDEEHOMLP-UHFFFAOYSA-N 480.635 1.186 30 10 JDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1595850131 JIZUUEHKUWTXDT-QGZVFWFLSA-N 465.601 1.219 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCS(C)(=O)=O 1609508551 BHNOCDCPVPQIAY-GOSISDBHSA-N 460.560 1.301 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCSC1 1611706864 HALMUZHEQKVWPJ-WBVHZDCISA-N 476.632 1.235 30 10 JDEE COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(NCc3cc(=O)n(C)c(=O)n3C)C[C@@H]1C)C2=O 1615243672 IJIUUMAOVJYNRX-RULNZOCKSA-N 489.912 1.351 30 10 JDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1 1618660361 AKQGAPLTUQHPHV-UHFFFAOYSA-N 451.531 1.028 30 10 JDEE CO[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)(C)C 1618994082 DCBKAXJQNVHHFW-MOPGFXCFSA-N 487.630 1.835 30 10 JDEE C=CCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1)C(=O)OCC 1627752287 OHAIDUVIDLIUKU-IBGZPJMESA-N 451.545 1.167 30 10 JDEE C#CCn1cc(CNC(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C)cn1 1640013046 WSGHTUVWCOBQLM-UHFFFAOYSA-N 456.572 1.683 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)c1 1644357340 SIOHEKUEKUXVGD-UHFFFAOYSA-N 458.540 1.436 30 10 JDEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)n1 1645480127 NAWSFYVPIPPQML-HSZRJFAPSA-N 452.534 1.513 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)n1 1669053532 JXKIPEXUYQTEPG-UHFFFAOYSA-N 458.607 1.399 30 10 JDEE C#CC1(F)CN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)C1 1673018663 QTROCGXQKSBJHT-UHFFFAOYSA-N 450.536 1.887 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1689874761 ARGYKYVKIYDQOS-MRXNPFEDSA-N 464.592 1.693 30 10 JDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1689933170 CMVXPMDGDQEKGL-HSZRJFAPSA-N 451.619 1.909 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1689977833 DXAZUHJKBHGBIU-UWJYYQICSA-N 477.612 1.110 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1689988306 MJPUHEBGYWGQHZ-WBVHZDCISA-N 461.519 1.052 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 1689988350 NGPZCGKUKRSDBI-LJQANCHMSA-N 460.510 1.826 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc([C@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1689992939 RHAVRQFUKXZSHK-PGRDOPGGSA-N 465.579 1.992 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCSC1 1690101164 QPTJNNNAFZSVMA-QHCPKHFHSA-N 468.583 1.629 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCS(=O)(=O)CC)CC1 1690133951 ZQUVMDPWIPOWJF-UHFFFAOYSA-N 451.980 1.700 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@](C)(O)CCOC)CC1 1690145913 ARQXUPVTVSYTRO-BWKNWUBXSA-N 483.569 1.544 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2c(C)noc2C)CC1 1690146493 PCPASNHYYYRUHV-HNAYVOBHSA-N 488.614 1.555 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1690155945 QHHVGOAVBAKGEP-OAHLLOKOSA-N 484.051 1.630 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccnc(OC(F)F)c2)CC1 1690375750 SMIPKEUDKMKBOZ-MRXNPFEDSA-N 484.529 1.812 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1690667175 SLEMZZOAFXQBJB-LAUBAEHRSA-N 486.020 1.890 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](NC(=O)CC)C1 1690672454 RZPLJZDENRPJAX-LPHOPBHVSA-N 454.531 1.588 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1690717425 FRIKABOCYCFINU-WOJBJXKFSA-N 457.556 1.802 30 10 JDEE Cc1cccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)c1 1693210113 AFYIKJSVRLSSFA-FQEVSTJZSA-N 458.588 1.902 30 10 JDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(C(N)=O)CCCC2)c1 1698293479 FOBWCLBRQHIBOO-NRFANRHFSA-N 460.535 1.836 30 10 JDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1705531749 UZNIEHHYPOHQGM-LJQANCHMSA-N 458.588 1.693 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1705533394 XDJONNDUNQZVFS-ROUUACIJSA-N 475.619 1.983 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccc(F)cc1 1705551831 RWJMYEDAAXVMIL-GOSISDBHSA-N 451.524 1.289 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCCOC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1705563609 AVFBALIIIVQDGK-MOPGFXCFSA-N 459.572 1.410 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCN2CCOC[C@H]2C)CC1 1705643674 ONSXWZAMJHEVOH-NJYVYQBISA-N 487.649 1.525 30 10 JDEE C=C(Br)Cn1c(N2CCNC(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705692785 SSPDRWRPSIJHAH-BETUJISGSA-N 455.357 1.894 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCC1 1705700635 WOIAMUWIDSZFCD-OTWHNJEPSA-N 453.609 1.829 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1705866218 KERJNRCKVILFHC-OXQOHEQNSA-N 452.602 1.976 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1705900146 RLURSNAZWSMOIP-MOPGFXCFSA-N 468.606 1.392 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1705900629 KMOPJFYEFWKXLV-UHFFFAOYSA-N 454.560 1.313 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCO[C@@H]2C(=C)C)C1 1705926086 YEYOTOVAGSQAPA-YSTOQKLRSA-N 481.619 1.374 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1705930761 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C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCCC=C)CC1 1722436999 IKQPBOHXBCUNON-UHFFFAOYSA-N 450.591 1.800 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCCS2(=O)=O)CC1 1722448790 HYOXLKFRAVEWDF-HXUWFJFHSA-N 470.599 1.197 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1722732634 QYZDRJKYLNGTIY-JQHSSLGASA-N 490.586 1.436 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(Cn2cccn2)cc1 1723932196 AEHWVXHPYYATKZ-KKSFZXQISA-N 472.550 1.623 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(I)cc1 1740532338 DPFDRJPBCAPCDC-CHWSQXEVSA-N 487.367 1.999 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(C(F)(F)F)c1 1740550529 IXABFZIAXUAHRR-DZGCQCFKSA-N 472.493 1.531 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2Cc3ccccc3C2)CC1 1740580753 HMOGCBHEEQRMJC-GOSISDBHSA-N 456.616 1.591 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1740583418 YCIAYAFQNIXAKD-QGZVFWFLSA-N 458.588 1.701 30 10 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30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1740990635 YAMPASPPSUPZCB-UHFFFAOYSA-N 480.598 1.473 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H](C)C1 1741055946 VDEZQSOXCHESFI-PXFSWQRTSA-N 497.531 1.580 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1748719479 ZFYWECASXYYLRT-UXHICEINSA-N 460.604 1.702 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1748803958 BLRHIKIKYWPBBN-JQVVWYNYSA-N 466.604 1.372 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1748815429 QHYYNILYVJIXNT-WOJBJXKFSA-N 484.582 1.057 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1748906939 ZOUIJJBIOQIANW-XWTMOSNGSA-N 496.634 1.372 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2OCCC2(C)C)CC1 1749020396 RJEHKMJXSUZOIL-UFYCRDLUSA-N 459.591 1.783 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CCOC)[C@H](C)C1 1749119069 MYJSVHZUTUNVFW-MKXGPGLRSA-N 470.640 1.026 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749135944 JTJUTVKZXBQYNN-SQJMNOBHSA-N 493.612 1.920 30 10 JDEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1749187689 XRAFNVVUGKANKB-UHFFFAOYSA-N 459.576 1.797 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1749225171 BMFPLZZHDMUCDY-INIZCTEOSA-N 460.608 1.953 30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1749293315 IUCCFXPTAOJSBX-GOSISDBHSA-N 473.599 2.000 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1c(C)nn(C)c1C 1749402807 SOIZQPHWGFVMGW-IBGZPJMESA-N 465.624 1.954 30 10 JDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749459826 SHSVTTHSVYMWFA-FQEVSTJZSA-N 453.547 1.623 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1749660448 PKLADWWGHVCVDM-MWTRTKDXSA-N 457.531 1.649 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCC(C)CC2)CC1 1749732560 YXNYLMDGGIMTLL-CTWPCTMYSA-N 464.636 1.531 30 10 JDEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)C1 1749949969 HAZZSEAQNSHTQQ-ZDWFVDTJSA-N 454.531 1.374 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCN(Cc2ccccc2)CC1 1760116887 KTPMEQONIBKHFX-RBBKRZOGSA-N 470.643 1.456 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1760185664 AQALKAJNHCZUJD-FQEVSTJZSA-N 457.600 1.720 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1760188679 LMOBDFQOIOEPQD-NRFANRHFSA-N 467.599 1.614 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1760191458 HRUXQUQZCAPWBL-QUCCMNQESA-N 475.590 1.965 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1760270799 ALBXNDUWXJFZDJ-IBVKSMDESA-N 481.597 1.980 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCOC2)CC1 1760273077 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1358978672 RRKBUSNCPBODKJ-OAHLLOKOSA-N 471.530 1.413 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@H]2CCCCS2(=O)=O)n1 1359027387 HOVUXIGGNPHTNX-HXUWFJFHSA-N 483.598 1.790 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1359037797 XRAJMRDENSKLGR-UHFFFAOYSA-N 451.619 1.909 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2cccs2)CC1 1359045345 CXYJXUBVQJVTEX-VGOFRKELSA-N 491.639 1.115 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CCOCC)CC2)CC1 1359045973 ZDPPLBPVKPXBNW-IBGZPJMESA-N 477.631 1.353 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](c2ccco2)N(C)C)CC1 1359048442 QUQQSOBDJAQMNL-ONTIZHBOSA-N 484.601 1.864 30 10 JDEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1359128893 IYCQGRFVSFVHGY-UHFFFAOYSA-N 494.600 1.567 30 10 JDEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)NCCOC)CC1 1359146995 PVXHPAGYXSEERX-UHFFFAOYSA-N 462.938 1.311 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1359173380 DRBPEVXQOUCJQX-PKOBYXMFSA-N 454.641 1.648 30 10 JDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1359280300 LVHWICSWDJNOFP-HKUYNNGSSA-N 461.592 1.578 30 10 JDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1359280303 LVHWICSWDJNOFP-PKOBYXMFSA-N 461.592 1.578 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359284254 BWUNZZNWCBNCKN-QGZVFWFLSA-N 453.590 1.395 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1359300479 CPBZDSKRKCEOSW-FGTMMUONSA-N 480.635 1.004 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1359336616 WIGCUZPWETWCMC-QGZVFWFLSA-N 454.560 1.947 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1359342649 BVSGZMFZWMJBAK-IAGOWNOFSA-N 455.650 1.840 30 10 JDEE Cc1nn(C)c(N2CCN(C(=O)CCNS(=O)(=O)c3ccccc3Cl)CC2)c1C#N 1466919130 HCTMKORLSJIOSQ-UHFFFAOYSA-N 450.952 1.271 30 10 JDEE CO[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)(C)C 1503982164 HWKOEOIASWYGGO-QZTJIDSGSA-N 452.563 1.884 30 10 JDEE COCC[C@@](C)(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1 1504748335 DJYSRNAPAWTIDJ-RTWAWAEBSA-N 480.566 1.425 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507623707 VZUNJISLHYDUCD-KURKYZTESA-N 451.593 1.248 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1507627468 JLRSFORFMHNVTK-QHCPKHFHSA-N 495.653 1.471 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1C[C@]1(O)CCS(=O)(=O)C1 1507663096 SGUFIODACHCBJY-GOSISDBHSA-N 483.413 1.782 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCN(C)C1 1507669689 PNUFNSSORWAKQT-CPJSRVTESA-N 470.618 1.922 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ncc(CC)s2)CC1 1507733596 FIHMXGSRMAGWHB-UHFFFAOYSA-N 478.582 1.958 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1507799086 VDDAWZCNJOAWOY-MDKPJZGXSA-N 473.599 1.997 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1507801958 ZLVKNDZBNXLATF-KNQAVFIVSA-N 470.622 1.650 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@H](S(=O)(=O)NCC)C2)nnc1[C@]1(OCC)CCOC1 1507811657 SSZSVZUXHTXDGN-GHDARCQNSA-N 483.635 1.429 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1508074581 SEOFPNBPKXTQGQ-HNNXBMFYSA-N 473.530 1.663 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C[S@](C)=O)cc1 1508423607 IEGJODIECIMWIY-OIESYPEGSA-N 494.643 1.134 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(C)(C)CN1CCOCC1 1517624965 FDDNHYUQODLKKY-UHFFFAOYSA-N 475.619 1.161 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C(F)(F)F)C1=O 1536835460 MQEQCSRMXDZATG-HNNXBMFYSA-N 459.377 1.409 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCCC)cc1)[C@@H]1CCS(=O)(=O)C1 1539200540 KGAAJVAFDMPYJL-HXUWFJFHSA-N 485.610 1.978 30 10 JDEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1539216177 OQEBWBCIMVXEOQ-MRXNPFEDSA-N 475.596 1.488 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1539216721 WKHJRKKBQAWMBS-JKSUJKDBSA-N 463.560 1.448 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)cc(OC)c1 1539265483 GNPIOAHVAUQPHY-FQEVSTJZSA-N 457.556 1.049 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCN(CCC(C)C)CC2)CC1 1539431325 RAUIKHRUBXANLY-HXUWFJFHSA-N 479.695 1.402 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1539728947 MNLGNPVKEMCDPC-IBGZPJMESA-N 488.614 1.982 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1540865440 GWNUTLUDSDGMJC-UHFFFAOYSA-N 460.604 1.718 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2ccc(O)cc2)CC1 1540903040 XLOLJPRWYYPFAA-IBGZPJMESA-N 459.572 1.920 30 10 JDEE C#CCN1CCN(C(=O)CN(C)Cc2cccc(Br)c2OCC(C)(C)O)CC1 1559757333 ZBZLYAQAQZXTAF-UHFFFAOYSA-N 452.393 1.808 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 1588024565 GZNIGZQEJDPRIH-INIZCTEOSA-N 462.601 1.148 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1588030323 SKMCNYKJLJYLNK-MJGOQNOKSA-N 479.628 1.066 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCC2)nc1 1588228793 MIGGTMOIXSCNLO-HXUWFJFHSA-N 452.584 1.687 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)COC1 1588550208 KRBYZTBTFNIZGS-LJQANCHMSA-N 477.562 1.426 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCS(C)(=O)=O)CC1 1588908406 QJXYYSVLXDIFHB-UHFFFAOYSA-N 473.555 1.074 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1589484973 WTWKYWLUGKSUEY-KSZLIROESA-N 473.578 1.164 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC)CC1 1589543672 AJFKFEVDFPSOBE-KURKYZTESA-N 467.592 1.440 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NC1CCCCC1 1589663563 OLPKRKOAWFCZAL-LJQANCHMSA-N 482.651 1.852 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1595477725 YEDZODSKWVACMV-HNNXBMFYSA-N 485.520 1.380 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCN(C(=O)OC)CC2)C1 1595722137 JDHIDGFJAFJMOJ-ZWKOTPCHSA-N 467.592 1.440 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccncc2)C1 1595730695 YBLYJNKJZHABFL-OALUTQOASA-N 462.576 1.030 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1595823997 VAPZNAVYDVNXND-SFHVURJKSA-N 477.587 1.777 30 10 JDEE CCCc1c(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cnn1-c1cccc(C#N)c1 1625514549 GPWIKHNLCRVEDC-FUHWJXTLSA-N 455.540 1.671 30 10 JDEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@]12COCCN1C(=O)COC2 1637744087 UFRKGMGZNXUKHG-IBGZPJMESA-N 456.312 1.914 30 10 JDEE C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 1642589379 IHHXCKMUVIQGAG-SFHVURJKSA-N 454.552 1.330 30 10 JDEE C#CCN(C(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC)[C@H]1CCS(=O)(=O)C1 1674032781 LQXMSUZPYFUGQY-NSHDSACASA-N 454.448 1.643 30 10 JDEE CSC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCN(C)CC1 1683038696 FSDSECLYPCLFDF-UHFFFAOYSA-N 451.618 1.402 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689998787 WQCQSGLXNJOPLI-YULQKLFDSA-N 480.631 1.363 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)C(=O)NCC)CC1 1690110180 AVXPPBIOZBEVHD-UHFFFAOYSA-N 486.020 1.779 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CCOCC2(C)C)CC1 1690137325 VAJIJLSVPZNZNB-UHFFFAOYSA-N 487.649 1.273 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1690175403 WTXYYWXZLQEQNI-DLBZAZTESA-N 464.617 1.697 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCCOC)cc1 1690190590 ZVUIEIKTAROXCL-HTAPYJJXSA-N 461.588 1.954 30 10 JDEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690343908 GYNVTUOBGOOFDA-INIZCTEOSA-N 481.026 1.675 30 10 JDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(S(C)(=O)=O)CCC1 1690518273 CDFMHUYCHDVQPG-UHFFFAOYSA-N 467.617 1.785 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690723848 BZJNXYYHAONTFL-KRWDZBQOSA-N 466.608 1.234 30 10 JDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1690729495 OCEVVHJAEJBVKW-HOTGVXAUSA-N 457.597 1.765 30 10 JDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690738607 SHSLJZAXGBNSIH-UHFFFAOYSA-N 457.604 1.474 30 10 JDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)N1CCOCC1 1693744937 DTDOTRNLWUICGD-GOSISDBHSA-N 467.574 1.506 30 10 JDEE CS(=O)(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C#N)CC1 1698308644 AOQVHOZPEFRMEJ-UHFFFAOYSA-N 471.631 1.427 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1705565691 JGHJZMJBGKQBNG-FPOVZHCZSA-N 485.610 1.939 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1705569941 LNQNVXRIEUTASH-QGZVFWFLSA-N 476.628 1.306 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705597353 CJJQUWDPKLUUQR-RXVVDRJESA-N 469.567 1.535 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC2(COC)CCCC2)CC1 1705633225 MDBQRQNVCCCIMJ-SFHVURJKSA-N 452.625 1.240 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccnc2OCCCC)CC1 1705642411 SQYBWZPQGLIXEN-UHFFFAOYSA-N 451.575 1.778 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCS(C)(=O)=O)CC1 1705650992 FWJMHXFDIYZMMA-UHFFFAOYSA-N 487.626 1.874 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1705662180 RWQUYDMFTHCRQG-QRVBRYPASA-N 467.661 1.094 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705695644 JFZZIPQNJIEHHU-UHOSZYNNSA-N 456.503 1.786 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(CCC)C(=O)C1 1705698154 QEGFIPRHHDWTDR-LNLFQRSKSA-N 468.624 1.318 30 10 JDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nccc(OC)n2)CC1 1705747234 IQNRVRUOBAPSHK-UHFFFAOYSA-N 455.910 1.803 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)cc1 1705910227 VUIBXAPYZSYBMA-GOSISDBHSA-N 494.600 1.871 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705910983 UOPRFAIYCUFGIY-LJQANCHMSA-N 477.525 1.490 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1705936897 ANMZPXGXERYPIE-UHFFFAOYSA-N 475.619 1.495 30 10 JDEE Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)c(C)c1 1707499654 BKLRWGGUYPESEV-OALUTQOASA-N 460.560 1.005 30 10 JDEE CS(=O)(=O)N1CC[C@@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@](F)(C#N)C2)C1 1712703457 CCSYOBMLRBLSIF-UZLBHIALSA-N 450.515 1.731 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)OC)c1 1722390358 QFCRYYCINLFYLO-MRXNPFEDSA-N 458.544 1.578 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1722436661 JXFWQXYWMMNBAG-CEXWTWQISA-N 471.606 1.630 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2csc(CC)n2)CC1 1722440748 IDNCYEMMKFRSCR-UHFFFAOYSA-N 469.615 1.742 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)c2ccccc2)CC1 1722441783 URIAZCXZNGTXMR-AREMUKBSSA-N 487.564 1.799 30 10 JDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722455333 SMBSZLZVBLGOKA-OAHLLOKOSA-N 459.963 1.833 30 10 JDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722479264 HFLBBYOQSRHXGQ-BFUOFWGJSA-N 485.383 1.725 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1722618193 PVUOMNVKLMZBKT-CQSZACIVSA-N 489.524 1.813 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(SC)c1 1722672160 LJPONMDKMDVATM-QGZVFWFLSA-N 464.617 1.955 30 10 JDEE C=CCNC(=O)Cn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1C1(c2ccccc2)CCC1 1722704471 UKDATUNYIPEMDP-IEBWSBKVSA-N 453.543 1.411 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1722725256 MXQUIQBXHAAGPQ-IRXDYDNUSA-N 453.609 1.755 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 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468.583 1.451 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(=O)NCC2CC2)CC1 1740704504 RATGEHSGAXQGDS-UHFFFAOYSA-N 480.569 1.454 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCc2ccn(C)n2)CC1 1740706714 AFNQGSZDCSMECF-UHFFFAOYSA-N 452.588 1.576 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1740710496 ZMEWTMMYFSHCAW-RWMBFGLXSA-N 455.528 1.411 30 10 JDEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1740715676 LUBLQYTWDNRNRL-GHTZIAJQSA-N 468.631 1.480 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1740721664 PPRKMGFCFDEOMT-KRWDZBQOSA-N 455.613 1.813 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1740747291 DBFXXPWNBTVNFZ-MAUKXSAKSA-N 494.438 1.298 30 10 JDEE C=CC[C@@H](Cn1c(CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccccc1 1740853989 BYTWZQQNCLXJRF-NRFANRHFSA-N 466.586 1.708 30 10 JDEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1740863564 ATRSVTGFLBEKNS-KRWDZBQOSA-N 458.567 1.343 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740959275 PWUXTDVTSPRUTQ-APWZRJJASA-N 465.558 1.745 30 10 JDEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1746577476 BOYKJOXDVSENQZ-MRXNPFEDSA-N 461.473 1.913 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1748752526 YQFATYDGBKHQID-QUCCMNQESA-N 464.636 1.335 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(F)c1 1748892162 JZJPZDNXYKNUFQ-NQIIRXRSSA-N 489.573 1.681 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCCS1(=O)=O 1748944119 LVFLRPCOULWEAO-HSZRJFAPSA-N 491.589 1.745 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2cccc(F)c2)CC1 1748989998 SLXZAVNQTQSFBU-NRFANRHFSA-N 490.605 1.138 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1749193772 PORKMSZNSCNCIW-OTWHNJEPSA-N 482.651 1.708 30 10 JDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1749606448 YPBUWYAKJMOQMU-CABCVRRESA-N 452.585 1.464 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)[C@H](C)C1 1749689470 GHUXIEFWGHRSCA-SJLPKXTDSA-N 459.572 1.460 30 10 JDEE C#CCN(c1nnc(CC)n1Cc1ccccc1CN1CCCC1=O)[C@H]1CCS(=O)(=O)C1 1760185788 DNKSBDLRXIAMCQ-FQEVSTJZSA-N 455.584 1.638 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1760187626 XGJXWHWEGCOYDW-KZNAEPCWSA-N 452.602 1.163 30 10 JDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1760197112 WZYBIOLOUDVVLP-BVAGGSTKSA-N 463.582 1.618 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC2CC2)nc1 1760464433 HLUPFBJBRCOQRQ-GOSISDBHSA-N 462.576 1.465 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1760464884 RACIYOXFRYCHFC-HXUWFJFHSA-N 491.614 1.982 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccn(C)n1 1760499172 QNALLNFNIAUURF-NRFANRHFSA-N 485.614 1.628 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(CC(=O)NCC)CC1 1760519295 YSEPJHSPXILRAG-UHFFFAOYSA-N 496.435 1.329 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1760549177 YAJZUSVMGZRAHJ-CRAIPNDOSA-N 483.616 1.536 30 10 JDEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1760848511 CTMOSMHYZQFDMQ-LJQANCHMSA-N 473.603 1.449 30 10 JDEE C[C@H](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)N1CCCCC1 1761379275 BZCYPQVUZNMHRQ-LVCYWYKZSA-N 483.614 1.317 30 10 JDEE CN(C)C(=O)CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1766853314 DNIKTLFSQOXHKT-UHFFFAOYSA-N 478.601 1.576 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1766882805 DMQQIJQQZVQJMR-LEWJYISDSA-N 481.601 1.490 30 10 JDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1766993736 CPJYTOGBHVDLLH-QGZVFWFLSA-N 490.586 1.877 30 10 JDEE CO[C@@](C)(Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C1CC1 1767986202 ARFCUTWKUOJXHN-QHCPKHFHSA-N 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C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1286818313 GMWSORDOMIHULL-UHFFFAOYSA-N 466.571 1.478 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1Cc1ncn(C)n1 1288790815 BARUZUWBQARSAN-AWEZNQCLSA-N 455.548 1.106 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1CC(=O)NCC1CC1 1291194822 FMHXIQCLVPUQAG-INIZCTEOSA-N 451.579 1.770 30 10 JDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1)[C@@H]1CCS(=O)(=O)C1 1298126031 GPMOYVLPTQERJA-GOSISDBHSA-N 463.585 1.265 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1300483480 KEUPACLATQLZIE-MJGOQNOKSA-N 479.628 1.180 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300487065 FNQXWEJFAISDNA-SJLPKXTDSA-N 474.587 1.880 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1300487262 ILZRMFZIIFVWMZ-LJQANCHMSA-N 455.584 1.842 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1CCc1ccc(S(N)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1300495287 GCZYAAMAXRHWRG-IBGZPJMESA-N 491.639 1.453 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1300498127 HFANBLUABAYHJN-GOSISDBHSA-N 456.528 1.073 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 1300499076 PEHDOOFRBFEQOR-XMMPIXPASA-N 498.697 1.921 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1300504014 IDAIREIIBVPETF-WJFTUGDTSA-N 468.620 1.485 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CC(=O)N(CCOC)C1 1300569143 CYBSAKOSJKBYRU-IBGZPJMESA-N 463.538 1.674 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1300699499 DONJJYXVGVZTAG-NRFANRHFSA-N 484.626 1.124 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C2CC(C(C)(C)C)C2)CC1 1300711425 BONJAMGHERPQFT-FAEJEUNOSA-N 464.636 1.851 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccnc(C)n2)CC1 1300871779 CVOQTANRQHDECQ-ICSRJNTNSA-N 454.579 1.823 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](N2CCCC2)C1 1300989954 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1507754327 WFLVDOGUESEPNP-UHFFFAOYSA-N 469.615 1.887 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507807405 DBLSEGLNPVHWRY-NXWNEQKCSA-N 468.620 1.923 30 10 JDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1507833191 AVKAEJUCICWZDB-UHFFFAOYSA-N 457.604 1.590 30 10 JDEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507953885 NBUMYBZTMICTSS-MRXNPFEDSA-N 456.572 1.692 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1507954809 PTKLMBKMDDTMOO-LJQANCHMSA-N 476.603 1.573 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C[C@@H]1CCOC1)C1CC1 1508072302 IWCVPJPIJAVSPH-INIZCTEOSA-N 459.572 1.656 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(N2CCCC2=O)CC1 1508140253 LKHADWRAOBHSPM-UHFFFAOYSA-N 458.588 1.841 30 10 JDEE C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(C)O)CC1 1508430764 CUZWRFHIVGFJGU-QGZVFWFLSA-N 451.575 1.767 30 10 JDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1cccc(OCC(N)=O)c1 1509214518 BPBDVZTWBYMFRF-GOSISDBHSA-N 489.584 1.766 30 10 JDEE Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1510711661 HRSZKSLTAZLWPO-FDDCHVKYSA-N 489.598 1.567 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)COCc1ccccc1 1539177850 BXDBGFPONKZPIP-QUCCMNQESA-N 461.588 1.533 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2cc(C)cc(C)c2)CC1 1539481964 QHBSULWQLSWUHW-OAQYLSRUSA-N 499.637 1.842 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](CC(C)C)N(C)C)CC1 1539890687 SBBAREZOWINKPH-UXHICEINSA-N 468.668 1.990 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1540874053 UEONHEBSDAHPJQ-LJQANCHMSA-N 450.547 1.807 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1540907904 MAFOIDHEGACSGJ-HZPDHXFCSA-N 455.581 1.834 30 10 JDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1540912981 GTNCFDQUYGUNAC-UHFFFAOYSA-N 451.560 1.475 30 10 JDEE C=CCOC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC)C(=O)OC 1556376026 ZLVGMPRKULXYEW-GOSISDBHSA-N 454.545 1.734 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)C1=O 1584466045 BOIHBZDCJRPVIU-QGZVFWFLSA-N 456.499 1.784 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1587860836 CCMRQXXAFGSHMG-SFHVURJKSA-N 485.570 1.310 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1588024924 QGMRTFIWDBMGTF-GOSISDBHSA-N 451.593 1.346 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1588035288 QXFFYUNNAZEKFZ-IBGZPJMESA-N 493.655 1.868 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1588619703 BXMOUYKUJBKMBE-HXUWFJFHSA-N 453.547 1.740 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nncn2C)CC1 1588898846 FGRBWQKRYBFCSW-UHFFFAOYSA-N 472.351 1.178 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1593635911 CLNQQFDWBOSLIQ-IEBWSBKVSA-N 452.625 1.498 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC(NC(C)=O)CC1 1593636706 QJBPAFSZBAXOHS-DAWZGUTISA-N 454.597 1.071 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(C(C)=O)CC1 1593710943 BBWZDKCJOXQWQZ-UHFFFAOYSA-N 490.630 1.847 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1593884143 CXZXTYNENRUZKG-GFCCVEGCSA-N 459.897 1.955 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC(C)C 1595133664 KIALGZOHHWQJPB-LJQANCHMSA-N 494.593 1.467 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1595562094 NNYRYXBNRMXVKO-FQEVSTJZSA-N 487.630 1.397 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CCOCC2)C1 1595822737 JTNRQSGAKKNOSB-UHFFFAOYSA-N 479.628 1.877 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@](C)(C(N)=O)C1 1595823192 LJTBBYJLEOCRLV-JOCHJYFZSA-N 461.588 1.776 30 10 JDEE N#Cc1cccc(NC(=O)O[C@@H]2CO[C@@H]3[C@H]2OC[C@H]3n2nnnc2-c2ccc3c(c2)OCCO3)c1 1614399458 PFIDXAQZQKHDTB-DBOLQNLKSA-N 476.449 1.939 30 10 JDEE C#CC[C@@H](COC)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1622819573 JJOALFPXPISCRY-KRWDZBQOSA-N 452.577 1.714 30 10 JDEE C=CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@@H](C)COC 1632749736 PFXDJRXNLGDPRF-IBGZPJMESA-N 451.589 1.658 30 10 JDEE C=CCN(C)C(=O)CSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 1639047980 UTPSREUJVYLBOZ-UHFFFAOYSA-N 457.574 1.032 30 10 JDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1664904399 ZWZZSCMDASGCFD-UHFFFAOYSA-N 459.322 1.466 30 10 JDEE C=CCNC(=O)c1ccc(NC(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2F)cc1 1667589908 RZPLBVBQMBTBRB-UHFFFAOYSA-N 450.492 1.932 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1670092344 DIODAISWCCQKHG-JXFKEZNVSA-N 452.577 1.876 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cccn(CC)c1=O 1689951453 XXYIGHSHBZUEEZ-UHFFFAOYSA-N 454.556 1.495 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(OCCOC)CCOCC1 1689966178 MHJKHTGCPBOWAS-IBGZPJMESA-N 493.605 1.868 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1689977720 BIBKKAHIJZTHGS-KRWDZBQOSA-N 475.571 1.131 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1689996789 OGIMFEUSCCTDJV-ROUUACIJSA-N 491.639 1.856 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OC1CCCC1 1690019576 MKOGPMCRXXZXTL-OAQYLSRUSA-N 498.609 1.449 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCNS(=O)(=O)CC)CC1 1690110600 SKAQEQHCVAALMK-UHFFFAOYSA-N 487.630 1.232 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1690133593 MONDFTKNVGKGQN-FQEVSTJZSA-N 452.559 1.536 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCC[C@H]2C)CC1 1690137670 GIFREJNFZNNDON-WVQWTBLQSA-N 473.618 1.836 30 10 JDEE C#CCSCCn1c(N(C)CCC(=O)NC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690186205 MUHDYRDQSZNJBT-IYBDPMFKSA-N 450.609 1.988 30 10 JDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1690489979 KNNOHAALLILXKQ-QFIPXVFZSA-N 451.575 1.715 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690644395 INFVFMVGFRUPOW-JKSUJKDBSA-N 455.581 1.786 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1690658832 BARRNIIANNWJQU-KOSHJBKYSA-N 468.558 1.834 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC)CC1 1690683542 NJNFVWHYZYWBBQ-SFHVURJKSA-N 474.587 1.255 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1690686820 UPXARLXZDDIDDO-NVXWUHKLSA-N 483.616 1.121 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H]3CC[C@@H](OC)[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1690731382 JPQGGTFYNGPGJA-MOXWOTFGSA-N 468.620 1.781 30 10 JDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)C[C@H]1C 1698085064 FJYUKNKLKVHYKF-QGZVFWFLSA-N 463.546 1.127 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1705534357 GJMSKPLGYCSPSA-KKIUXKEOSA-N 479.628 1.398 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCCN2CCN(CC)CC2)CC1 1705643002 PGTVYCNXDOIFBU-UHFFFAOYSA-N 465.646 1.948 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC2CCN(CCN(C)C)CC2)CC1 1705647893 KUCKNWBOGGQACJ-QHCPKHFHSA-N 485.677 1.759 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCCCN2CCCC2)CC1 1705648236 SUBVBEQVLSULHU-UHFFFAOYSA-N 450.591 1.967 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1705660021 LHKLQOOBEOANKH-OAQYLSRUSA-N 495.653 1.973 30 10 JDEE C=CCN(C)c1nnc(Cc2ccccc2OC)n1CCS(=O)(=O)N1CCSCC1 1705846165 URLUESJDEJTPKD-UHFFFAOYSA-N 451.618 1.878 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705904865 AREIAOYAGPMICI-UHFFFAOYSA-N 480.573 1.583 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1705905069 IMWHZSFCTLCLPX-SJLPKXTDSA-N 455.563 1.916 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1705916291 OJCPYPWHXSDVFW-HRCADAONSA-N 480.557 1.554 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1705932325 BFJSFDSEIJGXSD-FPOVZHCZSA-N 492.598 1.947 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)(F)F 1722429650 URIQOBMQPPEWIB-INIZCTEOSA-N 487.504 1.651 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(Cn3cccn3)cc2)CC1 1722441250 OXFVSTISGTWOJC-UHFFFAOYSA-N 488.596 1.675 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](CC)C1 1722536935 IPCMJEWSYFPGDT-KSZLIROESA-N 457.597 1.207 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1722542759 HJTYYKZYWSBHKN-AWEZNQCLSA-N 460.004 1.367 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(c2ccncc2)CC1 1722639631 CEIKNQGXJKFAFE-HXUWFJFHSA-N 475.619 1.545 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)NC(=O)OC(C)(C)C)C1CC1 1722651476 VCYLRJMKIHGTBY-WBVHZDCISA-N 484.623 1.679 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1722695234 XLZHQVKSCCIQKP-SJORKVTESA-N 454.531 1.512 30 10 JDEE C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722734267 XWTCESURLHNOAW-MRXNPFEDSA-N 491.415 1.774 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@]1(O)CCN(C)C1 1727230063 HHGBCVMKKGGUHS-SQJMNOBHSA-N 481.601 1.713 30 10 JDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1730758795 DFPPTPVKKPEWAP-MRXNPFEDSA-N 473.500 1.144 30 10 JDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740601664 HVDSVLHJUSQISO-CYBMUJFWSA-N 455.382 1.397 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740627685 IYKNYQKYGLSTIC-INIZCTEOSA-N 499.515 1.471 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1N1CCCCC1 1740631618 SOIBEUJKOOSKFF-IBGZPJMESA-N 454.600 2.000 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1C 1740657640 UWEUWJNGPDJHGL-RBBKRZOGSA-N 485.610 1.850 30 10 JDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1740867184 AHPIADUUJNQXFF-QGZVFWFLSA-N 461.592 1.999 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1740956968 XBABLJPKQRYUOW-OAQYLSRUSA-N 456.938 1.781 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1740963872 ZRKUDJIPNZPKRQ-NRFANRHFSA-N 467.618 1.684 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1740992110 AVZFPDPCNIQGLM-SPEDKVCISA-N 461.588 1.637 30 10 JDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1748755720 BIIODSRCAJGQGY-HXUWFJFHSA-N 458.588 1.308 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(Cc2ccccc2)c1C 1748826748 ZZQQUKDGHCEIQL-LJQANCHMSA-N 479.610 1.871 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1748831846 ZXDIKEVGLMCMEQ-HSZRJFAPSA-N 451.552 1.432 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1 1748945712 YFQDDSOAISUDQW-NHCUHLMSSA-N 491.589 1.959 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCC(=O)N(C)C)CC1 1749000846 BKJCMDPZJAUSEX-UHFFFAOYSA-N 493.612 1.981 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2nccs2)CC1 1749001530 VOTOBIUOMLAJSB-UHFFFAOYSA-N 464.555 1.590 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCc2ccco2)CC1 1749013972 ADYOLHDKQUYPLL-UHFFFAOYSA-N 478.528 1.883 30 10 JDEE C#CCSCCn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749047674 CEFNZRWNJFOYEB-MIZPHKNDSA-N 463.648 1.842 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1Cc1cccc(S(=O)(=O)NC)c1 1749056303 XNIVUNUZQMRFCU-VGOFRKELSA-N 461.588 1.951 30 10 JDEE C=C(Br)Cn1c(COCC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749112597 MKFQZXVTWIYFKP-PBHICJAKSA-N 455.401 1.712 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC1COC(C)(C)OC1 1749669758 NMIBOGAEDBKTNE-LJQANCHMSA-N 457.531 1.928 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749682185 PGFZSWZMFNBCSA-HJPURHCSSA-N 473.578 1.511 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 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C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCN2CCCCC2)CC1 1760262009 XXQDDASRPCRSCB-UHFFFAOYSA-N 455.632 1.901 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCn2cc(CO)nn2)CC1 1760263838 QSSVHZHBJGMGFZ-WOJBJXKFSA-N 456.595 1.126 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCN2CCC(O)CC2)CC1 1760267003 QSZNDEBZUMXGDG-UHFFFAOYSA-N 480.613 1.766 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)OC(C)(C)C)CC1 1760268996 UXAPMTWZGVDHCU-UHFFFAOYSA-N 456.551 1.169 30 10 JDEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cncc3ncnn23)CC1 1760431636 XFQQHAJEGYTWTP-UHFFFAOYSA-N 452.567 1.927 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1760450858 UOBRPGJFBAWKRT-QGZVFWFLSA-N 469.608 1.830 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(N)=O)nc1 1760478175 YGMDEQOERNIPGB-HXUWFJFHSA-N 461.526 1.973 30 10 JDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760561210 TXUZHSAMSDKYOM-KRWDZBQOSA-N 470.642 1.891 30 10 JDEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 1767099567 CPSQDHHBQGENIA-CVDCTZTESA-N 480.617 1.184 30 10 JDEE CC(=O)N[C@]1(C(=O)COC(C)=O)[C@H](O)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C 1848433123 XMRBBOGDOJNFJR-XUUPVOSESA-N 459.539 1.243 30 10 JDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(OC)c(OC)c2)cc1 1858975052 LJIPTSAPBMBCAN-UHFFFAOYSA-N 461.540 1.779 30 10 JDEE Cc1ccc([C@@H](C#N)NC(=O)[C@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 1867791482 FRGBLVRYLBUHIF-MOPGFXCFSA-N 467.482 1.212 30 10 JDEE COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(=O)Nc3cccc(C#N)c3)C2)cc1 1873867402 VXRYNFRHWGSVNT-QGZVFWFLSA-N 456.524 1.722 30 10 JDEE CO[C@@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2180980076 FAFIITJMCPIGCQ-GOEBONIOSA-N 462.356 1.986 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2255643383 TURMRQKADCKUDI-OLZOCXBDSA-N 453.370 1.542 30 10 JDEE 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NQIRTVSOTXABMP-XMMPIXPASA-N 465.558 1.969 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](COC)C2)cc1 1301524753 DFELWLAZCFDNBZ-UYAOXDASSA-N 462.572 1.645 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1358948779 LDROXEMJJGCASM-MSOLQXFVSA-N 496.634 1.328 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1358967677 PTHVLOMMFVXNIH-XSLAGTTESA-N 454.618 1.524 30 10 JDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1358982295 QUGUMMUYQHQOBE-GOSISDBHSA-N 494.543 1.996 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C1OCCO1 1359023900 AHBQAHZYMMDPPK-GOSISDBHSA-N 460.556 1.360 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)Cc2cccs2)CC1 1359035778 DJNLZNQWJNLIED-AZUAARDMSA-N 492.671 1.307 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@](C)(O)C2CC2)CC1 1359042074 QNUMWFGDORXARS-DEOSSOPVSA-N 485.610 1.475 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1359100621 DOQROKNRXYKKGE-FXAWDEMLSA-N 463.608 1.375 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@]2(CCC(=O)N2)C1)C(C)C 1359265734 KYSXMZXAZLWAOE-KHCICDEESA-N 455.607 1.787 30 10 JDEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359285886 WRXLULYAGDPLJV-UHFFFAOYSA-N 454.531 1.466 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1359298544 DCAAPLPINOTBOP-IBGZPJMESA-N 452.559 1.414 30 10 JDEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1359310964 MPTBUQKYPYNRRI-UHFFFAOYSA-N 485.614 1.834 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1359333888 NEYGEBVYKFQZSK-QFIPXVFZSA-N 487.674 1.469 30 10 JDEE CCN(CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1501805510 AGSGZMPSTUMYGI-GOSISDBHSA-N 475.619 1.541 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1507626047 MNSPZKJKSCRZAQ-DYESRHJHSA-N 479.990 1.654 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1507630157 ZNUCQFYZGVSRQC-ZGGTZUKQSA-N 479.990 1.550 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1507640389 RGFCRAZMCLNKMC-FQEVSTJZSA-N 480.525 1.938 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1507716167 NLASNVFWWHXKPM-FQEVSTJZSA-N 485.633 1.916 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1507737730 DVSWPVDKJBBOES-PZJWPPBQSA-N 452.559 1.666 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCNC(=O)C2CC2)CC1 1507741723 ZNJMSCYRACTVGJ-UHFFFAOYSA-N 468.533 1.488 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncn(-c2ccccc2)n1 1507763529 CKNKDPCDQYDIAU-IIBYNOLFSA-N 454.560 1.509 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)n1 1507812249 KULQEHROLRYRGD-KRWDZBQOSA-N 463.608 1.571 30 10 JDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507846099 CEQKZELZWIPKLE-UHFFFAOYSA-N 467.574 1.128 30 10 JDEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1507921331 TVOLZRCBBAOMJT-PMACEKPBSA-N 452.559 1.825 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCc2nn(C)c(=O)cc2C1 1508072340 FNYBMISZVNDRTR-SFHVURJKSA-N 477.569 1.994 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1508078563 DJMVEBIKMNRKRZ-KRWDZBQOSA-N 475.571 1.422 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(NC(=O)C(C)C)CC1 1508092524 QJGWRPDBVWHRQA-FQEVSTJZSA-N 468.558 1.834 30 10 JDEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 1538614542 HDVIMYRNHWWDIL-UHFFFAOYSA-N 451.512 1.632 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1539229209 AFXFWPAGLMNNBB-SFHVURJKSA-N 457.556 1.094 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539230791 KGLXUEPBMTVIMH-UXHICEINSA-N 487.626 1.977 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnc2n1CCC2 1539304604 BWOVASCZDOQHCD-UHFFFAOYSA-N 478.582 1.244 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(C(=O)NCC)c2)CC1 1539477594 RUSCCURUPVIYMY-UHFFFAOYSA-N 472.553 1.499 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC[S@](=O)CC)CC1 1539489852 POJLRRQMQWJPEU-JGCGQSQUSA-N 461.563 1.731 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1540865049 TWKADVOUWRYYEC-INIZCTEOSA-N 469.514 1.862 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(Cl)ccn1 1540904054 JVCYATMJECDRFC-AWEZNQCLSA-N 474.008 1.466 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1540907108 LQWGPSCRBHXKPS-IBGZPJMESA-N 482.628 1.780 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(CC(C)C)C1 1587638778 HIELFSOIZZIYEU-SLFFLAALSA-N 466.652 1.437 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Cl)c(OC)c(OC)c1 1587640188 PVBNRJGUEKAAPH-KBXCAEBGSA-N 498.005 1.788 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1588039656 BTKDYTHOPGJJJL-CABCVRRESA-N 465.938 1.643 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)CN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1588050814 VIUHTOZWKCJDTN-VQTJNVASSA-N 473.647 1.174 30 10 JDEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1588058916 FLTJHTHEIBKTFM-QFBILLFUSA-N 487.582 1.190 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1N1CCOCC1 1588646863 NVBZEPCUHBPKOX-GOSISDBHSA-N 491.589 1.290 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)C2CCCCC2)CC1 1588962073 SSWOANOQWCZMTG-VWLOTQADSA-N 470.618 1.698 30 10 JDEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1589037003 TXDGFPWSZUSXEL-UHFFFAOYSA-N 450.586 1.954 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N(C)C)Cc2ccccc2C1 1589151145 SEFWGOWPTWIKRK-WZONZLPQSA-N 470.643 1.980 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1595561942 IHNYAABBBXYTKV-SFHVURJKSA-N 464.526 1.637 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(CN2CCCCCC2)CC1 1595569681 NBUDQNJHIFUTIM-UHFFFAOYSA-N 457.623 1.795 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1595789041 MZPPJXWMPUSPCM-AZUAARDMSA-N 472.615 1.541 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1595812014 KPIQKFYZNMDSKU-RTWAWAEBSA-N 474.631 1.412 30 10 JDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1617606035 DDLCCZUQJRFVMA-NRFANRHFSA-N 467.574 1.508 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)cc1 1636640607 ZQWMFSNDCCILLS-KRWDZBQOSA-N 455.305 1.963 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccccc1 1690019712 PYFRNDKGTVIMQZ-FQEVSTJZSA-N 457.556 1.153 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Cc2ccc(F)cc2)CC1 1690019853 SRORGHUMOJQPLL-NRFANRHFSA-N 485.585 1.846 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCO1 1690091255 NBVXHSBISCQLQM-OFNKIYASSA-N 491.589 1.959 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ncccc2N(C)C)CC1 1690137818 JPHPDUQELKYVRW-AREMUKBSSA-N 495.628 1.794 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCS(=O)(=O)NC(C)C)CC1 1690144383 XGINQRWZDKKSPR-UHFFFAOYSA-N 497.625 1.720 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1690206360 OPOODTKLBZPPDZ-ISHFTEKXSA-N 478.663 1.724 30 10 JDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690220103 RPKVSRHCTCBMIG-ZIAGYGMSSA-N 451.387 1.924 30 10 JDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1690361283 NESNEXFCZHPCHT-KSZLIROESA-N 452.987 1.497 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(F)ccc2OC)CC1 1690375478 MGNMPFPLPREMJA-IBGZPJMESA-N 465.551 1.963 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)F)C1 1690509156 YKSGBRLCODZUKR-HOTGVXAUSA-N 463.551 1.685 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2CCOC[C@@H]2C1 1690660721 NPVWFNNVCXFOPQ-PMACEKPBSA-N 454.575 1.858 30 10 JDEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C1 1690916609 BKKXDVQQAVJPHW-MRXNPFEDSA-N 479.463 1.512 30 10 JDEE Cc1nc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)sc1C 1692949011 CJIARAVWENTDFR-QGZVFWFLSA-N 479.632 1.863 30 10 JDEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCCCS1(=O)=O 1694115220 CCBWOMVOJHNPAF-FUHWJXTLSA-N 474.635 1.999 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCOC[C@H]1OC 1694347446 GUVBYOBIASCSON-TZIWHRDSSA-N 496.616 1.841 30 10 JDEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C(=O)NC)CC1 1695588047 CBGYDAOALOKWSU-UHFFFAOYSA-N 494.644 1.969 30 10 JDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705509366 HZNDOKZIUNZXTK-LJQANCHMSA-N 479.628 1.622 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1705567097 UCRZMLLMOBQRRK-MRXNPFEDSA-N 479.488 1.767 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1705645109 LFHWUISADRFJFR-DFBJGRDBSA-N 486.617 1.199 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCS(C)(=O)=O)CC1 1705645947 LAIIVIJSRQBYQG-UHFFFAOYSA-N 467.954 1.748 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2nc(C)no2)CC1 1705725540 HEQUXXBVVFVENV-MRXNPFEDSA-N 451.553 1.263 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(=O)NCC)cc1 1705843414 DWTLQHHPQRBUQS-GOSISDBHSA-N 462.576 1.031 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1705900408 BTXIEEMCPMYEOT-GOSISDBHSA-N 467.509 1.520 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1705901050 YSOHLVMACOMINP-MRXNPFEDSA-N 457.560 1.302 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1705929698 VZQWPPIMDJFVIG-JTSKRJEESA-N 478.571 1.197 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2cc(C)no2)CC1 1705936263 MSMWWFXRNPEVHK-GOSISDBHSA-N 464.592 1.392 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1705937637 ZSVAEJSANOPVTR-MSOLQXFVSA-N 452.602 1.915 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[S@](=O)C(C)(C)C)c1 1722308494 BJWTVMPQIDKQSA-GDTDKIKOSA-N 470.599 1.833 30 10 JDEE C#CCN(c1nnc(C(C)C)n1Cc1ccccc1S(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722359598 UXZBNQSGXZZMCY-GOSISDBHSA-N 479.628 1.327 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1722370320 BINNMNGCPVOCCK-XXBNENTESA-N 474.583 1.332 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 1722431925 QIXJTDWDEOSCSX-HRCADAONSA-N 462.542 1.937 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC(=O)NC)CC1 1722436890 MYLGEJKYRZXLTJ-GOSISDBHSA-N 459.595 1.284 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1722442900 HHUSWWWHEVHGPZ-JOCHJYFZSA-N 492.001 1.114 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCS1(=O)=O 1722676708 JFDOQYRHUNAAKD-QGZVFWFLSA-N 483.616 1.044 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1722728396 VMYIHBTULGRFLQ-WOJBJXKFSA-N 466.652 1.337 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(c3ccccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1722731009 ATNZEVSFTSREGQ-JOCHJYFZSA-N 476.603 1.253 30 10 JDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)C[C@H]1C 1728620905 DACODELAAVSCKI-QGZVFWFLSA-N 460.542 1.801 30 10 JDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)OC 1730466527 CJAAELQWZIWSAB-LJQANCHMSA-N 462.576 1.338 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)NC(C)(C)C 1740540258 URBCDNNSGOODQK-INIZCTEOSA-N 460.604 1.958 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1740623537 WILBIGNWIITTOS-AEFFLSMTSA-N 474.562 1.109 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CC 1740677580 XIVNFUKJCAWBHN-DENIHFKCSA-N 479.578 1.551 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)c2ccccc2F)CC1 1740705978 PLLWJGAPRSQLOF-IBGZPJMESA-N 482.560 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1705659407 VFWUFKFFKOYNRU-UHFFFAOYSA-N 472.596 1.974 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705791840 FVTFLXDRTRDXDZ-HXUWFJFHSA-N 460.623 1.755 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1705792056 LKYFKYBMPKQGER-OALUTQOASA-N 493.634 1.525 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705896753 XCKMAFWYGMSSPW-UHFFFAOYSA-N 462.576 1.022 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1705946587 LMDRYKVDGNFKMO-KSZLIROESA-N 470.665 1.203 30 10 JDEE CC1(C)CCC[C@]1(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1706943853 BXRSXAOPRFTWDJ-AVRDEDQJSA-N 480.635 1.682 30 10 JDEE CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N)N1CCCC1 1708796809 CGHGGVNIITWMMN-KURKYZTESA-N 453.613 1.081 30 10 JDEE CN1CC[C@](O)(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@](F)(C#N)C2)C1 1711273524 AYSAGCHUYLDBHU-LEWJYISDSA-N 461.929 1.370 30 10 JDEE 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C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCN(CC(=O)NCC)CC1 1740988408 DFRJCEAIZCIGFE-UHFFFAOYSA-N 497.625 1.352 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(C(F)(F)F)c1 1741131888 HUFZLFRFGXTIJF-HIFRSBDPSA-N 487.508 1.669 30 10 JDEE CO[C@]1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cc3F)CC2)CCOC1 1748491618 HGOIODPWLNWCAS-QHCPKHFHSA-N 471.537 1.559 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1748809796 WGFNPQBNLREMMD-YJBOKZPZSA-N 483.015 1.660 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccnc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1748824775 SUONYAVMUQCKEW-OAHLLOKOSA-N 457.478 1.903 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCNC(=O)C2CCC2)CC1 1748977912 DYCYIOLIWKLIJH-DEOSSOPVSA-N 458.607 1.380 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCNC(=O)c2cccc(OC)c2)CC1 1749004912 QASHWINTTWKWLZ-UHFFFAOYSA-N 466.586 1.980 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC(=O)N(C)CC)CC1 1749016094 ZMJIPRFCFITZIU-UHFFFAOYSA-N 452.559 1.344 30 10 JDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(Cc1ccnn1C)C1CC1 1749084114 PDZOYMDDDRKRDM-GFCCVEGCSA-N 458.386 1.699 30 10 JDEE C=C(Br)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)C1 1749104399 SADXTTKDEZXRRR-CQSZACIVSA-N 485.383 1.774 30 10 JDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749236037 ZHONEXVJWVSZLU-OAHLLOKOSA-N 453.590 1.486 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1749666515 MNZGGIGPBGMYKD-MGBGTMOVSA-N 470.555 1.682 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CC(F)(F)C2)C1 1749713611 VQESRVZNDWTKOP-HOTGVXAUSA-N 461.535 1.438 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1760114507 NYIRNRSMHOJOCH-FXAWDEMLSA-N 476.585 1.995 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1760145759 UXGRXBWYNNZMKE-MRXNPFEDSA-N 476.578 1.840 30 10 JDEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1760157580 UJVCISNTSCTOFW-XMMPIXPASA-N 494.665 1.683 30 10 JDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCCS1(=O)=O 1760165547 WDZPGWYPORKQLE-MRXNPFEDSA-N 464.617 1.583 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1760175677 OZMOWCISMMVIPT-GOSISDBHSA-N 494.618 1.248 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1760190158 YQNMZGZHHVJRSW-PKOBYXMFSA-N 474.583 1.864 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C(F)(F)F)ccn1 1760205799 KBLWYPKVKBBDID-GOSISDBHSA-N 496.515 1.340 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)c2cccs2)CC1 1760261089 KFWGVCSIUYNCDB-QFIPXVFZSA-N 470.624 1.994 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1760267422 LIVMMZWYEQADES-SFHVURJKSA-N 455.584 1.736 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760312728 CUXPPSHADVSWGI-RBUKOAKNSA-N 480.635 1.261 30 10 JDEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1760345296 RUDRBILXTFNFJC-GOSISDBHSA-N 451.531 1.592 30 10 JDEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760369330 XAEAKKQATHFXQW-UHFFFAOYSA-N 476.965 1.888 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1760510064 FELQSNVWNXQULN-JYJNAYRXSA-N 470.596 1.146 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1760523169 OHNLZRLMUAJWCS-UHFFFAOYSA-N 468.468 1.278 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](COC)C1 1760557126 ATIXUWXMJYQMFT-IBGZPJMESA-N 459.572 1.734 30 10 JDEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760566878 IBQNFBFUOGGUSU-UHFFFAOYSA-N 472.590 1.854 30 10 JDEE CCN1CCN(C[C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)CC1 1765550414 DWXZQHGZNXWJKJ-RTBURBONSA-N 480.683 1.292 30 10 JDEE COCCN1C[C@H](Cn2c(CSc3ccccc3OC)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1769884444 FUTDSQAFRNLQML-MSOLQXFVSA-N 486.598 1.803 30 10 JDEE Cn1nnnc1SCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCN1C(=O)CSC1=O 1870233923 OELHPUYQPHHJGZ-UHFFFAOYSA-N 497.562 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CN(Cc1ccccc1)[C@@]1(CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCOC1 2282044674 QWDWTJSHSXNLNW-XMMPIXPASA-N 454.380 1.740 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](CO)C1 2282173521 KALYKANMAJKKSI-AEFFLSMTSA-N 461.368 1.729 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CO)C1 2282527494 DHBJUXGNXZHXPB-HOCLYGCPSA-N 464.372 1.067 30 10 JDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 2282550910 GDIFUHNXWPQOCW-UHFFFAOYSA-N 462.352 1.706 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](CCOC)NC(=O)OC(C)(C)C)n1 2282600178 WAYWPQJLSFAEMX-OAHLLOKOSA-N 466.388 1.862 30 10 JDEE Cn1nc(C(=O)NC[C@@H]2CO[C@@H](CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282625068 QGQRUYCNNDHECR-HUUCEWRRSA-N 464.372 1.379 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2282669610 WFYHVYVHGATFAO-PAYONLEZSA-N 459.352 1.791 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 2282682976 WZLOTLXJAJOVCI-LSDHHAIUSA-N 463.388 1.928 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CO1 2282686965 ZAQMKLSIRDKFTN-HUUCEWRRSA-N 462.356 1.435 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 2282838723 TYZQPXYOPQYKJL-CQSZACIVSA-N 485.416 1.040 30 10 JDEE COCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccccc1 2297740128 LTLZMIJIXFKWNL-OAQYLSRUSA-N 486.546 1.776 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)OC(C)(C)C)C2 2334273873 KDLSWMGJXFOXAV-HEHGZKQESA-N 468.385 1.005 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1C 2362331992 KQAQCRYVWAUFRQ-HNNXBMFYSA-N 464.372 1.393 30 10 JDEE COc1[nH]c(=N[C@@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)ccc1B1OC(C)(C)C(C)(C)O1 2365345146 XYNHRJGYPDTYNU-DJIMGWMZSA-N 461.368 1.858 30 10 JDEE COc1cc(/C=N/Nc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)cc([N+](=O)[O-])c1O 21326939 ZLHCZXWBOOYHTR-NUGSKGIGSA-N 490.477 1.608 30 10 JDEE CCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 33467685 YEDCAZYSPVVLOS-ATVHPVEESA-N 461.613 1.648 30 10 JDEE C=CCn1c(=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)sc(=Cc2ccccc2)c1=O 480183851 HXXDRHYPPDKWQY-UHFFFAOYSA-N 456.571 1.948 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)CCc2nc(-c3cc(Cl)c(OC)c(OC)c3)no2)CC1 516694973 FTYTUNBJXAZQRI-UHFFFAOYSA-N 477.949 1.786 30 10 JDEE CC(=O)N(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)Cc1ccccc1 522361388 SBQQVFUOFFRDPJ-UHFFFAOYSA-N 454.552 1.830 30 10 JDEE CS(=O)(=O)CC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCc1ccc(C#N)cc1F 729846324 XMGIOBPHGARWBG-RGFVMQALSA-N 479.555 1.707 30 10 JDEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1129156147 BTZGCFFQHDCSQL-UHFFFAOYSA-N 452.496 1.721 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1286383848 ONMJRLFNSVKPDX-IEBWSBKVSA-N 492.623 1.402 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1CCCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCS(=O)(=O)C1 1286385884 QOGGVXSICCYPQJ-MSOLQXFVSA-N 490.630 1.673 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1CC1(OCCOC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286389737 POHWRQRXMADWFK-LJQANCHMSA-N 466.604 1.385 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCc2n[nH]c(C)n2)CC1 1286474056 YPMJQOKFAVANNU-UHFFFAOYSA-N 466.546 1.395 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1286483463 LOMWQSQJKONHDB-PMACEKPBSA-N 485.633 1.801 30 10 JDEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1286771696 IEMWJHMBFPPPNA-UHFFFAOYSA-N 460.901 1.390 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](Cn2cccn2)C1 1286781134 VAFLXRTWJJKMBC-MSOLQXFVSA-N 469.521 1.961 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286783123 LAKJCZPHODBQSL-HNNXBMFYSA-N 482.404 1.942 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cccc(C)c2)C1 1286788592 ZFOWVVWRVSJANJ-VQTJNVASSA-N 488.614 1.216 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ncc(Cl)n1C 1286813733 AMUMUEQKEFDDKN-UHFFFAOYSA-N 478.966 1.550 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccn2)n1CCCC(=O)N(C)C 1291194818 FKOZCHVHFPVROX-KRWDZBQOSA-N 460.546 1.585 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCn3ncc(C(=O)NC(C)C)c3C2)c1 1297663767 QIMWSSJAXZGHRU-MRXNPFEDSA-N 459.572 1.478 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300316814 FAPOCPWEHNUAIX-VXKWHMMOSA-N 499.685 1.382 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C2CC2)c1 1300333869 DMHMAIRJOJWXTP-SFHVURJKSA-N 458.544 1.002 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1300365117 PQLGQPUSEVFTAR-UXHICEINSA-N 475.619 1.761 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300495994 MLHSJGKYKMKEKV-UXHICEINSA-N 465.620 1.259 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccnc(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1300501286 IQHOUWYKADTICZ-GOSISDBHSA-N 488.520 1.935 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2cccnc2N2CCOCC2)n1 1300676087 LPODJHQWYDYCRH-UHFFFAOYSA-N 450.547 1.349 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCOC2)CC1 1300731820 WLBWKGXEKKAUKC-SFHVURJKSA-N 453.543 1.868 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(OC)nc2OC)CC1 1300733542 WVEOXZRSBUCPQO-FPOVZHCZSA-N 498.584 1.428 30 10 JDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1300823350 DHJQEGGYXYYIDH-KRWDZBQOSA-N 466.428 1.639 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1301481219 JLWMFETXJFBVGV-MRXNPFEDSA-N 462.551 1.306 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1301491775 YKINAPUVTLULLZ-HNNXBMFYSA-N 454.501 1.691 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1301515025 PETRWCNYNRDBLU-MJGOQNOKSA-N 458.538 1.455 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1301569354 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C=CC[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1)c1ccccc1 1286679480 PWKSTUCJKICWGB-PMACEKPBSA-N 493.655 1.540 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1286766747 VPMTZWBNDSREQI-HXUWFJFHSA-N 479.603 1.866 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1286780111 BZAPLXVHQWEWDC-QWHCGFSZSA-N 453.425 1.384 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1286814785 GYDIHHZTHXKBTE-QGZVFWFLSA-N 468.601 1.568 30 10 JDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCN1CC(F)(F)F 1291223208 CGDKKFJTTHITLO-QRWLVFNGSA-N 498.531 1.439 30 10 JDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CCN1CCOC 1293540474 DRNBRFKGXPQCDY-HXUWFJFHSA-N 460.604 1.798 30 10 JDEE CN(C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)C1)S(C)(=O)=O 1298547716 HCHJKXNUUPIPRL-KRWDZBQOSA-N 469.575 1.101 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCOCC1 1300310939 QCZCLXUXQZEZAD-ROUUACIJSA-N 463.579 1.976 30 10 JDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCS(=O)(=O)CC=C 1300455422 IUUIDMWEQVVVGI-UHFFFAOYSA-N 454.556 1.735 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1300479588 PUUWFAHQVPXHJQ-ROUUACIJSA-N 489.598 1.519 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1300492949 PSNBWSWAULADMS-GOSISDBHSA-N 452.540 1.727 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(CSC)c2)CC1 1300684240 YNNYKASYRROPQW-KRWDZBQOSA-N 462.645 1.555 30 10 JDEE COc1ccncc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1300686041 BHVWYIUTJZQTSM-KRWDZBQOSA-N 496.597 1.538 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(O)CCC[C@@H]2C)CC1 1300728659 DDOTXMNLGMRGGM-BXKMTCNYSA-N 453.591 1.657 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1300761950 FFJIDRKNHKWOON-LSDHHAIUSA-N 465.567 1.619 30 10 JDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1300766794 KHVXUJWWJXROFC-UHFFFAOYSA-N 473.672 1.745 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1301222606 ARPJIZRAKJHQFD-LJQANCHMSA-N 493.655 1.966 30 10 JDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)c1)C1CC1 1301314467 WZBXWTNUURFCJX-KRWDZBQOSA-N 460.604 1.928 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1301485584 YPUJBPBHQLROHY-YLJYHZDGSA-N 469.546 1.703 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](CCC)C1 1301503208 VYJGSRHPICGQBO-QZTJIDSGSA-N 478.594 1.894 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCc2ccccc21 1303835919 GMGUVRUIPKTIMI-HRAATJIYSA-N 461.567 1.783 30 10 JDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CCN1CC(F)(F)F 1305141395 BCCKYVMSRBNQCB-KKSFZXQISA-N 463.508 1.956 30 10 JDEE CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1307023857 HZNDCFDGOSNEDX-RBUKOAKNSA-N 460.560 1.471 30 10 JDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 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C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1358966524 QZRWWBUPBNUMOI-XUVXKRRUSA-N 460.604 1.582 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccccc1OCCN(C)C)[C@H]1CCS(=O)(=O)C1 1358968109 ZNNTYMMVKOXMDD-RBBKRZOGSA-N 487.626 1.745 30 10 JDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1358986375 VOMGNOYCWHHAQJ-DEOSSOPVSA-N 485.610 1.738 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCS(=O)(=O)C2)n1 1359028118 HVWBTHMUMSGSDO-VQTJNVASSA-N 490.630 1.480 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cccc(NC(=O)[C@H]3CCCO3)c2)CC1 1359040957 KKKNGDKYBUUBAE-OAQYLSRUSA-N 450.543 1.718 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(F)c1 1359121707 FGLQKCZEOKBHSD-SFHVURJKSA-N 453.540 1.971 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(OC2CCCC2)c1 1359239962 BSHKXAULEDGVOV-IBGZPJMESA-N 476.603 1.998 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCC(=O)NC(C)C)C1 1359315921 DTSULKZNFWABOJ-LJQANCHMSA-N 451.535 1.617 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1359332415 WZTHUJPJRDRQEI-NSHGMRRFSA-N 494.662 1.156 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N2CCOCC2)CC1 1360469471 CNQUWCXXDBFIEE-KRWDZBQOSA-N 458.588 1.952 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)NN2C(=O)N[C@@](C)(c3cccc(OC)c3)C2=O)c1 1463799563 GMGBEYPSZWVNQE-NRFANRHFSA-N 458.496 1.272 30 10 JDEE CCc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)cs1 1498365472 HBJOIZFDJWEDOZ-IBGZPJMESA-N 481.582 1.942 30 10 JDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1502208082 FECIOPLGSDWPKR-GOSISDBHSA-N 480.616 1.112 30 10 JDEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1503731514 CMMJDRZXULNHHA-NLFFAJNJSA-N 479.585 1.950 30 10 JDEE COc1ccncc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1504455564 CSSQIKJYBSAVAI-IBGZPJMESA-N 468.539 1.804 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@]2(N(C)C)CCSC2)c1 1507545817 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464.618 1.804 30 10 JDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(C(=O)NCC)CCC1 1748771648 MMWUOPHCTLRVAO-UHFFFAOYSA-N 457.604 1.922 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCSc1nccs1 1748789756 BWZUUIMSEVQLMT-CQSZACIVSA-N 456.619 1.319 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC(C)(C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748819634 QTBOQLFAQHPHPI-JOCHJYFZSA-N 485.654 1.915 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC1 1748945019 KSSMMTYLCVEUFR-NRFANRHFSA-N 490.605 1.486 30 10 JDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1cccnc1 1748958637 DEVLWTSAONZREI-UHFFFAOYSA-N 453.572 1.962 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1748994167 BRJWEIGUNXYAAX-UHFFFAOYSA-N 490.612 1.410 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)CN2CCCC2)CC1 1749001542 VZZFPESZLHQBJR-IBGZPJMESA-N 478.601 1.623 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCn2nc(C)nc2C1 1749368546 LUTUYMAQIKTDSQ-INIZCTEOSA-N 464.596 1.133 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749457732 PFYKNRMIBBLZNO-LJQANCHMSA-N 471.587 1.366 30 10 JDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)C[C@@H](C)O1 1749545584 ABCWZABWGYCRGC-VQIMIIECSA-N 462.576 1.385 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1749609304 MRQIOEICVSMFRO-XMSQKQJNSA-N 486.642 1.914 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1749650140 LERBBCYSEUWDRX-QGZVFWFLSA-N 475.594 1.510 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1749658579 MNTUFPTYHAZQTG-UHFFFAOYSA-N 452.563 1.946 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1749664431 NMWIUEHOTCCFAC-UHFFFAOYSA-N 452.538 1.832 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1749731465 DWNKVEJVBOKMAA-SQNIBIBYSA-N 451.593 1.473 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN(CC)S(C)(=O)=O 1760114974 WLBWRCAHBHSMJN-OAHLLOKOSA-N 457.560 1.723 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC)nc2OC)c1 1760128198 BKNJVNUISLRUGQ-LJQANCHMSA-N 489.536 1.746 30 10 JDEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1760148373 XSSVLRKKBCEHTG-UHFFFAOYSA-N 462.396 1.670 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1C(F)(F)C12CCC2)[C@H]1CCS(=O)(=O)C1 1760182173 HPLJLUFVXFTSDJ-GJZGRUSLSA-N 455.531 1.478 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1760185691 BHJUKNXOFJUJKW-NHCUHLMSSA-N 458.584 1.610 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760188285 JHNSFZLVQBSUOD-IBGZPJMESA-N 459.572 1.553 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCO[C@H]1CCOC1 1760216643 VVQHUNKBRTXSCL-IBGZPJMESA-N 460.538 1.851 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCCS1(=O)=O 1760241128 POMBAYLVIVOXFU-RBUKOAKNSA-N 459.547 1.975 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccnc2OCC(F)F)CC1 1760260727 DELULEXJAPMYKH-UHFFFAOYSA-N 459.501 1.243 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H]1CCN(Cc2ccccc2)C1 1760521126 KCBIDURAVZIXBW-UXHICEINSA-N 451.575 1.490 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1760548576 KMMWJKLFGWXVHV-FCEWJHQRSA-N 477.562 1.873 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1760556595 JJXGBMXSPVYJFL-GOSISDBHSA-N 467.617 1.268 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCC=CO2)C1 1771360746 GEIIQCXCNAYVRL-ZWKOTPCHSA-N 450.565 1.434 30 10 JDEE N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCCCS2(=O)=O)CCO1 1771535848 AVUADWWZDIJMAB-ROUUACIJSA-N 492.989 1.558 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1772564331 HCOYFTAVDMQJPI-BZSNNMDCSA-N 470.640 1.121 30 10 JDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(OCCC)cc1 1865729661 SBQLQZXHBPFJRV-SFHVURJKSA-N 466.538 1.768 30 10 JDEE NS(=O)(=O)c1ccc(CCNC(=O)[C@@H](N=C2NS(=O)(=O)c3ccccc32)c2ccccc2)cc1 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Cc1c(C(=O)NCC2(NC(=O)OC(C)(C)C)COC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266999245 LSJLRMXIVNEXRD-UHFFFAOYSA-N 450.345 1.051 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@H]1CO 2267141143 HWSXUJSKBIBQNY-UONOGXRCSA-N 450.345 1.057 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2267150665 FUBPNIMIWPLSSM-UKRRQHHQSA-N 467.397 1.790 30 10 JDEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267170517 WSULFLIGWNHNJK-AWEZNQCLSA-N 466.413 1.723 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CO 2267179404 PNBYZWQIMSQGDV-GDBMZVCRSA-N 450.341 1.927 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H](CO)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2267361868 JKGCNVMYVNUVQQ-AWEZNQCLSA-N 474.360 1.289 30 10 JDEE C[C@H]1CN(Cc2ccccc2)C[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267718016 MWHPHLIICWTKRG-FUHWJXTLSA-N 460.409 1.518 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267719492 CQOFITZDKRSYQJ-HNNXBMFYSA-N 467.397 1.916 30 10 JDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)(C(N)=O)C1 2281786446 FUFAXVZRAPBIMX-UHFFFAOYSA-N 479.770 1.844 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)n1 2281951201 GXPABUFZCMOYEK-FPTDNZKUSA-N 461.372 1.776 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2281980085 RYBZXMMPTFDMMU-PEBXRYMYSA-N 462.356 1.465 30 10 JDEE CC1(C)OB(c2cc(C(=O)N[C@H]3CN(Cc4ccccc4)[C@]4(CCOC4)C3)[nH]n2)OC1(C)C 2281992551 PEFRYYZPAJUYGP-HOYKHHGWSA-N 452.364 1.872 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2282177183 YIORSXAMPSNGQS-GJZGRUSLSA-N 463.388 1.928 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCO1 2282345840 JUWXCCDIWRNRKI-KRWDZBQOSA-N 482.408 1.900 30 10 JDEE Cn1nc(C(=O)N2CCO[C@@H](CCNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282617398 JOGMXVICDAEGSO-HNNXBMFYSA-N 464.372 1.475 30 10 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O=C(O)c1cccc(-c2ccc(C=NNc3nc(N4CCOCC4)nc(N4CCOCC4)n3)o2)c1 252621346 MWEFVOVTAZZKIH-UHFFFAOYSA-N 479.497 1.949 30 10 JDEE O=C(CSc1n[nH]c(NN=Cc2cccc([N+](=O)[O-])c2)n1)Nc1ccc2c(c1)C(=O)NC2=O 1084343182 RDDFMZNNMNOBBV-UHFFFAOYSA-N 466.439 1.773 30 10 JDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286346920 DQRVBLIRVBDPCU-UHFFFAOYSA-N 493.659 1.560 30 10 JDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCNc1ccc(C(F)(F)F)cn1 1286360592 HKDRMNIOZDDXGX-CYBMUJFWSA-N 459.498 1.874 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1286379754 BUGFOKGQBMRBOO-IBGZPJMESA-N 494.577 1.917 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1286381624 NTSHVUROSXLPTQ-IBGZPJMESA-N 494.577 1.803 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(OC)c(O)c1)[C@@H]1CCS(=O)(=O)C1 1286390621 COBFNIBTQBIJSL-LJQANCHMSA-N 467.551 1.653 30 10 JDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1286440534 CMUIXLFHDIJDFC-NRFANRHFSA-N 476.589 1.323 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2cccc(C)c2)CC1 1286478575 BOEKJXGMOOKSBB-PMACEKPBSA-N 457.600 1.711 30 10 JDEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1286530799 DRJRAVWRMPZIDL-AWEZNQCLSA-N 452.334 1.986 30 10 JDEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286595863 KFFLPPUTFFCZDF-OAQYLSRUSA-N 453.591 1.170 30 10 JDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)c1ccccc1)C1CC1 1286736845 IXZCJOUASWSZOE-INIZCTEOSA-N 450.586 1.809 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1286780600 GKDVNYGHSCNCMY-QHCPKHFHSA-N 454.531 1.445 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN2C(=O)NC[C@H]2C1 1286782084 JWROUJMQKXSYTM-ZDUSSCGKSA-N 494.781 1.877 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286784550 LKKJZRLOMVHUDS-UHFFFAOYSA-N 455.538 1.131 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NCCC)CC1 1286819541 NLETVTRQAWWRDD-UHFFFAOYSA-N 492.602 1.349 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1286823011 QQUBPWUMADKBKJ-IFMALSPDSA-N 473.643 1.821 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1286876249 MGPLCURVNXSKCX-VZCXRCSSSA-N 487.923 1.933 30 10 JDEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)[C@H](C)C1=O 1287775830 FIKJDVMYTXEJIH-HHJKRLRDSA-N 482.585 1.962 30 10 JDEE CC(C)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1287993000 DZTPPGCMQFTISW-UHFFFAOYSA-N 475.619 1.541 30 10 JDEE C#CCSCCNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1293737856 UXTCPFVDPUUATN-UHFFFAOYSA-N 450.586 1.009 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1300339944 SKFRQVCLZOTHSX-HOTGVXAUSA-N 454.597 1.795 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1300498947 OHGWQFXNPDRHSG-KRWDZBQOSA-N 459.963 1.326 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1300538215 OOBHACUESWXFPN-FCHUYYIVSA-N 467.595 1.154 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)F 1300577899 DZFVJGRVDQQSFX-INIZCTEOSA-N 480.516 1.431 30 10 JDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)COC)CC1 1300743094 HMWISHGAEQMZAE-UHFFFAOYSA-N 459.572 1.624 30 10 JDEE CO[C@H]1COCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1300853633 GYLKGWDBHVTAKH-MOPGFXCFSA-N 468.562 1.061 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1300972762 PSIBPFYNDPSMMD-UHFFFAOYSA-N 456.551 1.232 30 10 JDEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1300996951 KLIJJBKNSJXIAL-UHFFFAOYSA-N 458.607 1.875 30 10 JDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1301160699 VMQSCSKRBAFSHQ-LJQANCHMSA-N 494.662 1.634 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1301490155 LKGGZNLRYWPJPL-AWEZNQCLSA-N 482.994 1.379 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1301508868 WMLLQKQSLZPLNW-UHFFFAOYSA-N 461.592 1.851 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1301578864 JOFGKTHMKHIKFV-SFHVURJKSA-N 460.604 1.930 30 10 JDEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNS(C)(=O)=O)ccc1OC(C)C 1315304429 CXSUWSJACKGKFD-INIZCTEOSA-N 464.548 1.019 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCc1ccco1 1358875629 TUPMCPFVFXCCJN-OAHLLOKOSA-N 469.571 1.914 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCc2cn[nH]c2)c1 1358900979 WZKKZYAYJKAXDN-UHFFFAOYSA-N 469.509 1.947 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1358930203 PVDKSQHZDWHPCI-QGZVFWFLSA-N 461.613 1.926 30 10 JDEE C#CCN(c1nnc(C2CC2)n1Cc1cccnc1OCC(F)F)[C@H]1CCS(=O)(=O)C1 1358962430 PPLLOIRWJCRVBT-INIZCTEOSA-N 451.499 1.869 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CCc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1358965753 AOLCCYAQMOECJS-OAQYLSRUSA-N 469.611 1.802 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1359098275 ZKZKXVXZLXBJFM-JTAQYXEDSA-N 487.649 1.591 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1359132274 RZCPAWQWHFPPMH-IBGZPJMESA-N 454.531 1.490 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCS(=O)(=O)C1 1359275461 UWBXOYAQZZPXKQ-WOJBJXKFSA-N 478.640 1.850 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1359296846 WOPYQZMNXZJJCP-CJNGLKHVSA-N 459.348 1.725 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1359306212 ZDFHVBXLWLVAEY-OPAMFIHVSA-N 464.567 1.336 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1359335606 PWEPKTKWVODJMA-PMACEKPBSA-N 480.562 1.981 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1359336398 OJOHKVDZTUSHRH-GOSISDBHSA-N 457.560 1.324 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H](C)N(C)C 1360713098 FWEQMEXRWZBEKY-BXWFABGCSA-N 461.592 1.288 30 10 JDEE C#CCOc1ccc(CNC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc1 1478686278 VMLRGMNWLHGBFA-UHFFFAOYSA-N 457.508 1.342 30 10 JDEE CC[C@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1496187708 IFFOTHBCZCPZKZ-FXAWDEMLSA-N 455.563 1.410 30 10 JDEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCC2CCN(CC(F)(F)F)CC2)CCO1 1505321717 DRANABTXQQBJKA-JKSUJKDBSA-N 455.485 1.622 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CC(=O)N(CCOC)C1 1507528951 PREOOHPAHHVOQV-DLBZAZTESA-N 473.603 1.191 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507631993 WHVYVYXXHATEIT-BBFFTDKLSA-N 495.627 1.180 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1cnc2ccccc21 1507710955 MQUMQDFQGFIHLW-GOSISDBHSA-N 456.572 1.706 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)nc1 1507711505 VWICKBGRRYGBJZ-IBGZPJMESA-N 499.572 1.215 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CSCCS2)CC1 1507717760 ILCNQGQUUKCKAQ-SFHVURJKSA-N 477.681 1.952 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(Cc3ccc(F)cc3)CC2)CC1 1507722208 REYXCDMSXJCUGJ-SFHVURJKSA-N 474.606 1.806 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(OCC(N)=O)c2)CC1 1507740695 WVCPNOJKWAQTNY-UHFFFAOYSA-N 487.564 1.142 30 10 JDEE C=C(Br)Cn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OCC)CCOC1 1507792615 IYOKKOITQWDWDD-QZTJIDSGSA-N 475.409 1.854 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1507840289 YXUKTXWMWQLFLD-HKUYNNGSSA-N 459.572 1.656 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCNC(=O)OC(C)(C)C)CC1 1507884102 DSMCJOXTBXRCER-KRWDZBQOSA-N 484.623 1.682 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1507902773 NXIVFQTYMJJBPY-FHWLQOOXSA-N 453.609 1.829 30 10 JDEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507957631 IRDYATZVXOVVEW-QGZVFWFLSA-N 489.374 1.447 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1508059208 QWHGFYGLIRJAOB-AZUAARDMSA-N 460.604 1.508 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1508109483 SJGZSFFPQQWYEK-UXHICEINSA-N 473.622 1.238 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(F)ccc2F)C1 1508123708 JMWSNVLHBKIDJO-IEBWSBKVSA-N 483.541 1.719 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)NC(C)C)cc1 1538972551 KKPFYXKUAJAZPN-HZPDHXFCSA-N 461.592 1.924 30 10 JDEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539086601 JNHLOIPJUYTJTC-SFHVURJKSA-N 452.584 1.829 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539226079 UGFVXLARMDQJNL-NVXWUHKLSA-N 451.593 1.771 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1539265365 FMKVFDKBDHBVGD-PKTZIBPZSA-N 481.622 1.635 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCCC1 1539266043 LLTVTGPICJZELE-SFHVURJKSA-N 470.574 1.705 30 10 JDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(N2CCOCC2)CCSC1 1539334206 WOVBUXIKSURSCF-XMMPIXPASA-N 498.678 1.940 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1539446453 ZTVBRAZEDJSZBH-MOPGFXCFSA-N 457.529 1.566 30 10 JDEE C=C(C)COCCn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1539758855 BCQCMOIBQGDQKQ-DEOSSOPVSA-N 477.606 1.598 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(CCO)Cc1ccc(Br)s1 1540869838 YMOXGJIMVJAEFX-CYBMUJFWSA-N 483.392 1.354 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(F)(F)F)CC1 1540874766 RJLWCFTVCOKLAO-UHFFFAOYSA-N 471.509 1.256 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@H](S(=O)(=O)NCC)C2)cc1 1540877902 IYDIAQKBIBQNKW-RBUKOAKNSA-N 474.587 1.360 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCS(=O)CC1 1540899830 BLVSUZQASBIUER-UHFFFAOYSA-N 454.574 1.132 30 10 JDEE C=CCSCCn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1540922597 SLNVSNJZSHANIN-QHCPKHFHSA-N 492.646 1.120 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN1CCCC1 1545917960 AHLUOCNUEYCAOA-UHFFFAOYSA-N 465.606 1.886 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CC23CCC3)CC1 1565142984 YQKUXPFYSUHELS-NRFANRHFSA-N 459.616 1.084 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1588035591 VSSYHNZOPWUUSZ-YJBOKZPZSA-N 483.015 1.660 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1588059695 SMMUPOJDOQGLSF-KNQAVFIVSA-N 462.547 1.440 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCS(=O)(=O)Cc1ccccc1 1588170624 KRKPAGAYQPYSJC-UHFFFAOYSA-N 467.595 1.982 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1588647296 UCYWAQZEFXMXJJ-JKSUJKDBSA-N 463.629 1.896 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC1 1588806640 XWGOYNOPZUVVGY-FQEVSTJZSA-N 464.574 1.563 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(CN(C)C)c2)CC1 1588924185 WTELWZXFYOFGAC-UHFFFAOYSA-N 460.586 1.754 30 10 JDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)C1CC1 1595020535 ICGIOJADCVDRON-IXDOHACOSA-N 454.641 1.931 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1595773178 SRYSMSLHNMKBAO-IAGOWNOFSA-N 474.539 1.652 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccco1)C(C)C 1595799417 ZZUBXJMPLNTTJX-MRXNPFEDSA-N 456.590 1.789 30 10 JDEE CC[C@H](C)[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1613098554 DSEGORJPKOMQAS-QMHKHESXSA-N 471.610 1.454 30 10 JDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C(N)=O)cc2)CCO1 1620356608 DFMLIWQXCYXGFT-MRXNPFEDSA-N 451.512 1.146 30 10 JDEE C#CCN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@H]2CCCO2)C1)[C@@H]1CCS(=O)(=O)C1 1630831000 XJBXPRWMAIYLBH-AKHDSKFASA-N 454.589 1.830 30 10 JDEE C#CC[C@@H](CCOC)NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 1641836365 BRHAYAIIDLVROO-AWEZNQCLSA-N 450.451 1.588 30 10 JDEE C=CCC1(O)CCN(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)CC1 1670097154 SNTHLFZKFZHIPL-UHFFFAOYSA-N 452.577 1.708 30 10 JDEE C#CC[C@H](CCOC)NC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 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1690418999 DOVNMHDIWDPMCQ-UHFFFAOYSA-N 473.622 1.097 30 10 JDEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)CC1)c1ccccc1 1690442274 PUSKRGAQGVRULS-FXAWDEMLSA-N 460.604 1.917 30 10 JDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690583600 QPTAWQRBIIWWNN-OALUTQOASA-N 462.620 1.897 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(N2CCCNC2=O)CC1 1690672598 XIKPRADJWDSCOO-UHFFFAOYSA-N 473.528 1.833 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1690717829 RUQGRKIMQPOXHN-OAQYLSRUSA-N 497.625 1.160 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C[S@](C)=O)cc1 1694352466 BPMURHNBKZFFOZ-WHUARKNTSA-N 458.588 1.852 30 10 JDEE CS(=O)(=O)CCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1698303162 FUIBMIIQVDQIGW-UHFFFAOYSA-N 499.641 1.533 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1705480798 YETQNMKUPMIUQS-MZNJEOGPSA-N 468.558 1.040 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CC(=O)N(C)C)c1 1705504533 ZGYLDBZIZFWQNX-QHCPKHFHSA-N 454.531 1.075 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC(=O)NCC(F)F)c1 1705505935 WKSZOMFAGDQFEU-UHFFFAOYSA-N 453.453 1.778 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1705559681 APVASLRUXOSAGN-INIZCTEOSA-N 479.509 1.475 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@@](=O)C(C)(C)C 1705580821 RECVATZOBLZROW-JGCGQSQUSA-N 450.568 1.812 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)c1ccc(OC)cc1 1705582808 KAXCPQLIXQMWSM-UGKGYDQZSA-N 485.610 1.886 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCCn1cc(CO)nn1 1705591590 FYAIUIZDFDZCOM-UHFFFAOYSA-N 471.363 1.683 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCCS2(=O)=O)n1 1705631328 AJPVMBFKWSSMEO-SFTDATJTSA-N 490.630 1.970 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[S@@](=O)CC)CC1 1705639283 KXCLFGBHUHQRCS-FPYOTAMTSA-N 478.663 1.916 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)C[C@@H]2C(=O)NCC1CC1 1705721095 LIBYNOXQBPSNRW-NVXWUHKLSA-N 450.609 1.597 30 10 JDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1cc(OC)ccc1OC 1705725607 KUEOACSCNKDIGU-MRXNPFEDSA-N 450.561 1.772 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1705725691 NOSJBONYFDBLQP-ICSRJNTNSA-N 488.614 1.676 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCCC2=O)c1 1705884506 QDMMPLFZSOWPDH-IBGZPJMESA-N 473.599 1.994 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1705928128 LSHUXSNDPVHPBF-QGZVFWFLSA-N 480.660 1.962 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc2C1 1706069768 HHWVRXHJILBHAG-ZWKOTPCHSA-N 459.620 1.933 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(O)CCOCC1 1722302478 SHJNJBRRSPFMLI-NRFANRHFSA-N 452.603 1.642 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCOCC1 1722305208 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C=CCSCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1722737411 FJYUVTIFMGSIAO-UHFFFAOYSA-N 484.630 1.595 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CC1CCN(C(=O)OC)CC1)[C@H]1CCS(=O)(=O)C1 1740620575 FDNYUNOIRZGKGT-IBGZPJMESA-N 472.571 1.445 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCC(=O)N2)CC1 1740701225 YYDQIBJIPQNKAO-KURKYZTESA-N 457.579 1.083 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCC(=O)N[C@H](C)CC)CC1 1740704650 VSGBYQVBEKTVPJ-GOSISDBHSA-N 494.596 1.987 30 10 JDEE C=C(Br)Cn1c(N(CCS(C)(=O)=O)C2CC2)nnc1[C@]1(OCC)CCOC1 1740748372 FCVYYGYUSNLCCE-KRWDZBQOSA-N 463.398 1.852 30 10 JDEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2CCS(=O)(=O)NC)CC1 1740835306 DNPSXGVFKBXDIO-UHFFFAOYSA-N 457.398 1.998 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1740991753 CVSHKLJHRVJHIN-PMACEKPBSA-N 467.636 1.322 30 10 JDEE CC(C)N(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1741937442 BTBSBICSIUWMHG-GOSISDBHSA-N 474.635 1.427 30 10 JDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1748277422 HPBLMEPWTOBQTK-UHFFFAOYSA-N 464.574 1.087 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1748293991 FEVABGURXUKHEZ-UHFFFAOYSA-N 486.989 1.741 30 10 JDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1748730133 FHILLFTWZLHDNY-UHFFFAOYSA-N 452.534 1.958 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1748814212 AZRCZPQSQIUEQQ-WOJBJXKFSA-N 455.584 1.715 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C2OCCO2)c1 1748929487 KKXPSBXHYDNQBM-IBGZPJMESA-N 475.571 1.164 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1748929865 RHIRWLOETCFUIB-MSOLQXFVSA-N 498.650 1.620 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1748973105 XXONRXNMXHTAOF-BGYRXZFFSA-N 480.617 1.568 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCN(C)C(C)C)CC1 1748987308 SSSUGGVIZQUHOG-UHFFFAOYSA-N 462.602 1.678 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CC 1749067809 XSTNVMHUYASIQA-CNNODRBYSA-N 464.636 1.478 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749135943 JTJUTVKZXBQYNN-PXDATVDWSA-N 493.612 1.920 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1749450313 BUBAFZPPOUYCDQ-PZJWPPBQSA-N 473.622 1.096 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2CCOC[C@H]2C1 1749657812 GNKXPINHRILRFA-LJQANCHMSA-N 470.574 1.564 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1749658193 HVPHVOVRTKXLAO-PXNSSMCTSA-N 465.558 1.486 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](COCC)C1 1749669955 PZYVDVMZBYVBMU-QZTJIDSGSA-N 478.594 1.752 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(c2cnccn2)CC1 1749679846 BXVMUFJSRFEFEZ-UHFFFAOYSA-N 462.558 1.838 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1749726742 CRKYRAOPORJHIO-QGZVFWFLSA-N 483.978 1.159 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1csc(C)n1 1749731790 KMOQOQSHZVDHJI-GDBMZVCRSA-N 450.590 1.936 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1750969661 BQONSTRFZZNPIZ-TZIWHRDSSA-N 466.590 1.356 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1760186601 PBDLCOGDLRPSTC-PMACEKPBSA-N 476.624 1.358 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCNC(=O)[C@@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 1760188111 HUJKNCVKUMFLBV-PKOBYXMFSA-N 472.615 1.828 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[S@](=O)C(C)(C)C)CC1 1760266250 UDFAISCNQQZOFD-WYOOIXGGSA-N 479.647 1.443 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCNC(=O)C(C)C)CC1 1760271681 GVWBAPQHIIPNTE-UHFFFAOYSA-N 490.612 1.645 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(C(=O)N(C)C)CCCC1 1760288637 HTOKJWNUIUUSFI-OXJNMPFZSA-N 450.609 1.529 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 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1.643 30 10 JDEE CC(C)(C)OC(=O)N1CCC(CO)(NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CC1 2267491205 ZTOYBJSNNWEZDU-UHFFFAOYSA-N 467.397 1.934 30 10 JDEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C 2267498346 JPTYXAAYDGPPRI-OAHLLOKOSA-N 450.341 1.610 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)n1 2267708901 SIYVUEAPGARLOW-AWEZNQCLSA-N 470.401 1.397 30 10 JDEE CC(C)(C)OC(=O)N1CCCN(CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC1 2268638140 QZVSCUHMDJDKBS-UHFFFAOYSA-N 467.401 1.141 30 10 JDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CCS(=O)(=O)C1 2268711955 PXRIMIJLMWOEEU-IBGZPJMESA-N 487.409 1.463 30 10 JDEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1)C1CS(=O)(=O)C1 2268775345 JGRKUHRHAYFYBW-INIZCTEOSA-N 470.397 1.714 30 10 JDEE CC(C)(C)OC(=O)N1CCN([S@](C)(=O)=NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2281978038 XHYUUDSFFNFLOD-MGBGTMOVSA-N 483.400 1.415 30 10 JDEE 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C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1286415059 JLNMGTJOIJTXAV-HJOGWXRNSA-N 463.582 1.976 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC2(O)CCOCC2)CC1 1286469845 NGDPMWLLRMQQRM-UHFFFAOYSA-N 466.586 1.834 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCn2ccnn2)CC1 1286473372 RPSHKMNXUISYMD-UHFFFAOYSA-N 458.368 1.483 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(C)OCCc3sccc32)CC1 1286485386 JWQLSGPSVFCXJS-XMMPIXPASA-N 484.626 1.932 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](CC)N2CCCC2)CC1 1286488699 RHVCCFIVMDXKSJ-BWKNWUBXSA-N 472.634 1.770 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC[S@](=O)C(C)(C)C)CC1 1286491041 BZPDMQIDKRXJIW-YTTGMZPUSA-N 456.616 1.777 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCNC(=O)OC(C)(C)C 1286581743 NGDJXFPGPCGLGJ-KRWDZBQOSA-N 486.639 1.928 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1286601549 MEDTYZYONDJEEC-UHFFFAOYSA-N 487.649 1.678 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1286637811 NESOPMYKGOVPDK-OAHLLOKOSA-N 453.590 1.497 30 10 JDEE C=CCn1c([C@H](C)OCCOC)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1286770842 KXGSXYKUWQFODD-YLFCFFPRSA-N 485.607 1.315 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)N2CCSCC2)C1 1286805422 SOQCJOUGLIHOPH-QGZVFWFLSA-N 464.617 1.500 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286822456 KOJXNYZIIOEOQA-LJQANCHMSA-N 465.620 1.439 30 10 JDEE CCN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1295072355 FKZAGACACMHXDX-MOPGFXCFSA-N 472.571 1.108 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)C1 1296328859 DTKBTEZVXBYUFT-IBGZPJMESA-N 471.587 1.394 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300499937 ZTGJIHBLNGRNMQ-GOSISDBHSA-N 458.588 1.195 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)C(=O)NC 1300643480 QQFCDKHSBWJCRU-OAHLLOKOSA-N 464.567 1.439 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CCS(=O)(=O)CC1 1300665285 KNTXKZCHDVDPIH-UHFFFAOYSA-N 460.556 1.627 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCCCCC2=O)CC1 1300719603 IJVZYUOYOCVKFL-UHFFFAOYSA-N 466.590 1.437 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1ccco1 1301485053 QGOIGTCEFAQXDJ-UHFFFAOYSA-N 458.544 1.727 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 1301554928 PRSDAUIRLOEMKD-RTBURBONSA-N 459.572 1.603 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCS(C)(=O)=O 1301568714 JIVKAUDWBVIDGY-UHFFFAOYSA-N 477.612 1.883 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1301589224 PISQZQYOTYVTOX-UHFFFAOYSA-N 468.624 1.042 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1301594539 GNUJCEGMSROWBU-INIZCTEOSA-N 494.643 1.476 30 10 JDEE N#CC1CCN(c2nnc(COc3ccccc3F)n2CC2(O)CCS(=O)(=O)CC2)CC1 1316535043 BYSCTTIHJPLRNQ-UHFFFAOYSA-N 463.535 1.676 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)ccc1F 1325419228 NPBUGZIQMJHFJV-NRFANRHFSA-N 460.487 1.275 30 10 JDEE C=CCN(C(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OC)[C@H]1CCS(=O)(=O)C1 1352905977 XIZXVMVYORSMBS-ROUUACIJSA-N 452.529 1.436 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1358884977 AHCQEHPNFTVDJR-IAGOWNOFSA-N 468.583 1.958 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358964687 DURXZIVXTUREGP-NOVUIFNWSA-N 483.685 1.808 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1358968507 OBGNOPPTKUDECH-HSZRJFAPSA-N 460.582 1.878 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([S@@](C)=O)CCC1 1358987963 YIKFTWAZQDCNKM-JGCGQSQUSA-N 487.651 1.960 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(CCN(C)C)CC2)CC1 1359032805 DEEAESNFCNZRLH-UHFFFAOYSA-N 460.630 1.846 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc([C@H](C)O)cc2)CC1 1359045462 IDOOAXZZMHCAJL-UWJYYQICSA-N 485.610 1.248 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCn2cc(CO)nn2)CC1 1359045510 KDGSSIFPUZOFOG-UHFFFAOYSA-N 498.538 1.287 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1359132488 YOVIOMFTBOMNEB-MRXNPFEDSA-N 495.631 1.098 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)C2CCCC2)CC1 1359179046 KKYRHNAPVKYZAY-HXUWFJFHSA-N 466.652 1.888 30 10 JDEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359284280 DIYQVCJCTGLBBL-UHFFFAOYSA-N 453.503 1.744 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1359298269 TWTKJJTWLBNNCI-UHFFFAOYSA-N 469.571 1.476 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1359333159 PKZUQYGRACSISZ-RTWAWAEBSA-N 475.615 1.238 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC(=O)N(C)[C@H](C)C1 1359334370 CUBLOLUWZJIYQF-GOSISDBHSA-N 461.588 1.742 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](N2CCCC2=O)C1 1359334550 JQGJTYAQYYTSKZ-IBGZPJMESA-N 475.619 1.332 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cscn1 1359343580 WLEMORGJKNNBFO-HNNXBMFYSA-N 458.635 1.623 30 10 JDEE C#CCOc1ccc(F)cc1NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1445025581 CSAJUINSLUISJN-UHFFFAOYSA-N 459.499 1.943 30 10 JDEE CCS(=O)(=O)N1CCC(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1458798049 HRVZHHSURHBYBV-INIZCTEOSA-N 452.964 1.742 30 10 JDEE Cc1nc2c(c(O)nn2C)c(C)c1CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1465225700 HDIYJLZLURPLHG-LLVKDONJSA-N 456.528 1.424 30 10 JDEE C=CCN(CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 1473233317 JLKJJDIRLZDXQV-GOSISDBHSA-N 455.602 1.475 30 10 JDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N(C)C)CC1 1501780228 HRQONYFQGZEWTF-IBGZPJMESA-N 452.607 1.757 30 10 JDEE CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCN1CCN(C(C)=O)CC1 1503065332 DSHANEPWJJWIEP-UHFFFAOYSA-N 481.601 1.898 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1503264333 CHJIZGRAEJIIEV-WOJBJXKFSA-N 485.614 1.736 30 10 JDEE COC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1)OC 1504592807 BBBSMSBYSNPPME-SFHVURJKSA-N 487.992 1.914 30 10 JDEE N#Cc1ccc(-c2nnc(N3CC(=O)N[C@H]4CCCC[C@H]43)n2CC(=O)NCC(F)(F)F)cc1 1505316783 GXNAGTJNBVACNQ-JKSUJKDBSA-N 461.448 1.743 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCN1CCCO 1507522895 YSQRNAHHGFUREH-ICSRJNTNSA-N 474.631 1.500 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCN(C(C)C)CC1 1507534075 QSLIBHHIJJVSSJ-GOSISDBHSA-N 463.586 1.885 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Br)cs1 1507537136 GLIJZRYKZBYGOZ-IUODEOHRSA-N 488.433 1.941 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1507588560 NCVZMDBOIIKXNQ-LEWJYISDSA-N 484.582 1.474 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCN1CCN(CC)CC1 1507606497 OASOXYGKMLKTAV-UHFFFAOYSA-N 458.632 1.836 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1507628546 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C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1539201679 BTAKMISNUCCNEW-ROUUACIJSA-N 497.980 1.473 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(CS(C)(=O)=O)CC1 1539258159 RJVAIGRLXSVNHJ-UHFFFAOYSA-N 464.551 1.090 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C[S@@](C)=O)cc1 1539296641 SCBNQNJCZPPJPA-BJLXPSRBSA-N 461.613 1.278 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CSc3ccccc32)CC1 1539431270 QMFGSRHORALWOZ-SJORKVTESA-N 460.629 1.533 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnc(C)s1 1539517911 TXJATXFMHGGGNE-MRXNPFEDSA-N 470.646 1.379 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1539533317 OHENSWLNAFSQNR-ZDFPQIBNSA-N 490.674 1.357 30 10 JDEE COc1cccc(C(=O)N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1540766978 AVPKCALPMOABBP-INIZCTEOSA-N 456.524 1.218 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](COC)C1 1540869538 PKSFPIRVSFJQPY-DLBZAZTESA-N 481.557 1.217 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)s1 1556075248 RDZWUEABYICNSH-UHFFFAOYSA-N 454.662 1.772 30 10 JDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN1CCCO 1587990346 WANPPBGEOHDKDW-RBUKOAKNSA-N 462.595 1.503 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1588029375 HBLYCAPSUAZLOH-PZJWPPBQSA-N 492.690 1.944 30 10 JDEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1588039639 BBLIYFXIXPREIH-QGZVFWFLSA-N 494.415 1.859 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccnc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1588053326 CKHORTIZDOAFFI-WOJBJXKFSA-N 489.598 1.615 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC[C@H](CO)O1 1588193275 AFJVSUMVGQKWJV-VQTJNVASSA-N 471.583 1.198 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1588961782 LUHUZHBJKJHUFV-PZJWPPBQSA-N 470.618 1.962 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 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C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@](C)(O)CC)CC1 1690136398 DDDLLDKMAFWDKE-DEOSSOPVSA-N 487.004 1.988 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C(=O)NC)CC1 1690302987 QXFQOLYEBAXOPS-UHFFFAOYSA-N 490.630 1.751 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1690432515 FXSKUVNETRCWJZ-JPYJTQIMSA-N 497.662 1.988 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)Nc1ccc(F)cc1 1690526633 AODGWZISFGOFQE-INIZCTEOSA-N 452.512 1.011 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCN(C)C(=O)C1 1690660995 SGRSTQIRTRSPJS-UHFFFAOYSA-N 451.556 1.958 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1690722676 RKYOCMFJMMOUCR-UHFFFAOYSA-N 464.555 1.534 30 10 JDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1695503550 BLSUIXPHWPHYQT-LJQANCHMSA-N 474.587 1.611 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCOc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1705566280 MTWVNUQJPPJZLO-KRWDZBQOSA-N 456.503 1.580 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(OC)cc2)CCC1 1705583358 WQSGELNQKAPLQV-JOCHJYFZSA-N 497.621 1.814 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 1705628348 DNTOXEGKANXITM-KRWDZBQOSA-N 460.556 1.822 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2c[nH]c3cc(F)ccc23)CC1 1705632912 FDRWOJITVRZQGE-INIZCTEOSA-N 473.578 1.507 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCCc2cnn(C)n2)CC1 1705649631 CYCTYNPQXIIZRY-UHFFFAOYSA-N 460.586 1.904 30 10 JDEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1705826883 MFLYKSUGZVGMRO-UHFFFAOYSA-N 494.438 1.849 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCN(C(C)=O)CC1 1705879581 DNGYIMFPZNCPJI-HXUWFJFHSA-N 490.630 1.172 30 10 JDEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705886578 GNAZOAIYQDVLFZ-UHFFFAOYSA-N 472.546 1.330 30 10 JDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705943809 KYFRECREYBLONS-UHFFFAOYSA-N 489.602 1.098 30 10 JDEE C#CCCCCn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722322598 LOKXLTNJWCCYKB-VWLOTQADSA-N 472.634 1.867 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1722332466 LLVDJSZQYIDZFU-QGZVFWFLSA-N 458.544 1.828 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCN(C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1722360337 GIONZAGANHDJRV-HXUWFJFHSA-N 483.573 1.633 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1722367136 LZWHZDHYWITQNI-ROUUACIJSA-N 460.556 1.496 30 10 JDEE C#CCN(c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1722367212 KYFCRLMMVYYVKI-QZTJIDSGSA-N 498.609 1.898 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 1722367544 NSXUSGXVKYWSGD-NHCUHLMSSA-N 458.584 1.994 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cccc(OCC(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1722367858 YCJQTXMSDCGLKJ-IBGZPJMESA-N 499.618 1.470 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@](C)=O)cc1 1722398113 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JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1749725092 OOLVIVODWUQROK-VFNWGFHPSA-N 465.551 1.860 30 10 JDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1760170633 JZKNOBAPSXCLNG-UHFFFAOYSA-N 461.448 1.984 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760189649 KLOXHTMLHLWVOJ-HNAYVOBHSA-N 462.645 1.743 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)c1cc[nH]n1 1760193600 JSNPTYDHRKZEMJ-UHFFFAOYSA-N 464.917 1.087 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760193717 NTCBNRFCBYRJDC-SFHVURJKSA-N 489.001 1.216 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc21 1760209398 BNINFBFHWLCGBX-LJQANCHMSA-N 454.600 1.804 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1760247578 HCYHBYAMVATSMI-UHFFFAOYSA-N 498.609 1.728 30 10 JDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1760431597 WDKMGQBFWJDLEX-UHFFFAOYSA-N 479.632 1.756 30 10 JDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1760510413 WXZVHGNWIKNPSL-JLAWEPINSA-N 464.636 1.183 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1760528212 VZVLOUNUNOWARH-IBGZPJMESA-N 455.494 1.610 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2oc(CC)nc2C)C1 1760544352 YFCROTNUHMVDRT-FUHWJXTLSA-N 480.591 1.299 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760552726 YYXYSJGTILSRJK-MRXNPFEDSA-N 477.612 1.661 30 10 JDEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(S(C)(=O)=O)CC1 1760565688 CLYCDPHIDLWQPY-SFHVURJKSA-N 465.601 1.791 30 10 JDEE CCCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1 1765407236 FTZJDJFATJTDEU-UHFFFAOYSA-N 463.546 1.791 30 10 JDEE CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1Cc1nccs1 1768587769 BMMIORSEUFCFBE-UHFFFAOYSA-N 453.528 1.529 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOc2ncccc2Cl)CCO1 1769257916 CUMLIXIWTGCCCR-IBGZPJMESA-N 497.943 1.807 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCC[C@H](N4CCCC4=O)C3)n2CC(=O)NCC(F)F)c1 1770745952 HMNLZZHAHDZKAK-KRWDZBQOSA-N 457.485 1.789 30 10 JDEE CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)CC1 1771359639 HUGOXYZYBCDTCL-UHFFFAOYSA-N 474.978 1.839 30 10 JDEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)CC1 1771362685 HLLNBKMGMQQSQH-UHFFFAOYSA-N 473.603 1.057 30 10 JDEE C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@]43C)[C@@H]1CC[C@]2(O)C(=O)COS(C)(=O)=O 1848441367 JIVIIFWTEUUGLE-CWNVBEKCSA-N 458.548 1.858 30 10 JDEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(=O)OC)s2)c(=O)cc1CSCCO 1870308844 TXRMLRRRXAZYKG-UHFFFAOYSA-N 453.542 1.829 30 10 JDEE C=CCn1cc(OCC(=O)OCCOc2ccccc2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870329004 YHRQALRWCJJZKI-UHFFFAOYSA-N 469.538 1.733 30 10 JDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)CCCC)cn1CCN1CCOCC1 1870514594 AOYKCSWTLHWFCY-UHFFFAOYSA-N 460.619 1.992 30 10 JDEE C=CCn1cc(OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)cc1CN(CC)CCO 1870598507 IYZSVSFTXFSAHP-UHFFFAOYSA-N 495.580 1.664 30 10 JDEE 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C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(NC(=O)COC)CC1 1286348335 JKAHVPARMXPATM-UHFFFAOYSA-N 477.569 1.820 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1286386527 CEFMMARKSXOLQC-QZTJIDSGSA-N 462.597 1.315 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cc(OC)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1286387118 ODTPUYYJKBTVHC-SFHVURJKSA-N 499.593 1.984 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1286391360 HKUOJFMFMLZKAQ-NRFANRHFSA-N 467.599 1.794 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccn(CC)c1=O 1286426007 GNDXLMDAXGMAKU-UHFFFAOYSA-N 467.533 1.885 30 10 JDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCCS(C)(=O)=O 1286531372 YHVANLGURMDUNN-UHFFFAOYSA-N 457.354 1.705 30 10 JDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1286647699 KSYWSWKACJIRJE-UHFFFAOYSA-N 464.617 1.905 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@](C)(OC)C1 1286790810 PVZLAJDNPMJCEO-AREMUKBSSA-N 481.645 1.950 30 10 JDEE Cn1ccc(Nc2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N2CCSCC2)n1 1298841889 AZHFEZRINSJJKW-UHFFFAOYSA-N 458.573 1.672 30 10 JDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300344663 HFFWUERCUKPZKS-FQEVSTJZSA-N 488.614 1.340 30 10 JDEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1300347644 FTDZVUVDKZRWLL-UHFFFAOYSA-N 479.541 1.928 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](SC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300479106 IHZDWKGNADCYQI-JKSUJKDBSA-N 455.650 1.821 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1300482188 DNQCKEFMTDVMED-VGOFRKELSA-N 495.552 1.240 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 1300496402 QWDQNYHJUMFAJG-JKSUJKDBSA-N 498.577 1.328 30 10 JDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1300754890 XTWUTAZJZRZBJL-UHFFFAOYSA-N 481.626 1.647 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1300801160 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1314806717 APLPUULRKYAXDD-AVRDEDQJSA-N 475.571 1.141 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOCc1ccc(OC)cc1 1358890574 RMDVMCVYBOYBKD-FXAWDEMLSA-N 477.587 1.294 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1358957215 RGAHHEUMWZSUKD-CVDCTZTESA-N 489.598 1.397 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc(C)c(C)s1 1359025167 FQNGDGFVDUYCAO-QGZVFWFLSA-N 482.632 1.013 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2cnnn2C)CC1 1359041662 DUVPNLHMOUWYSU-UHFFFAOYSA-N 464.530 1.105 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359296824 VTULOWBEAOBJQZ-LJQANCHMSA-N 467.574 1.886 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1359299750 MTNBJWQOEYUQLU-DLBZAZTESA-N 458.567 1.303 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1359300660 HUFIQOGCZLKBCC-GOSISDBHSA-N 492.646 1.148 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359304291 UBPOUXDVWWQLOC-UHFFFAOYSA-N 490.630 1.636 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CCOCC2)C1 1359328574 ITCYJTLNKPNEDN-UHFFFAOYSA-N 494.639 1.956 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1359331497 AYGADKJSZPWRSP-SFHVURJKSA-N 469.571 1.028 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1359341591 BADHJDVAPIOGTK-CVEARBPZSA-N 460.608 1.977 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNS(=O)(=O)c2ccccc2)C1 1360784235 AYOMFFXTEWRTHU-LAUBAEHRSA-N 457.560 1.338 30 10 JDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C[C@@]2(CCCOC2)O1 1494235373 GDWPPLGCZJIZFY-VGOFRKELSA-N 474.587 1.482 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCO[C@H]1C 1504873311 DTFCVYCTQYSSMJ-BTCOZLQPSA-N 454.531 1.294 30 10 JDEE C#CCCCCn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OCC)CCOC1 1507574160 LUWSLWUSAWPTAJ-JPYJTQIMSA-N 458.563 1.500 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1507628547 PCTGTCXJCIROEB-LJQANCHMSA-N 498.996 1.962 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCSC(F)(F)F)CC1 1507735669 DSGMTPWSBWQLMZ-GFCCVEGCSA-N 482.554 1.107 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(O)c2)CC1 1507807229 RDMCNYBHAVQMOA-UEXGIBASSA-N 490.630 1.902 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2ncccn2)CC1 1507825244 UAWSTTRVAHFEAB-UHFFFAOYSA-N 468.587 1.888 30 10 JDEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507939761 RVLGCYODXHCYDT-UHFFFAOYSA-N 473.647 1.971 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1507944224 PWKMEAIDIGVHHL-IBGZPJMESA-N 481.667 1.379 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1507955413 YFJPKBQQSBXWPU-MOPGFXCFSA-N 496.678 1.956 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1508072385 HWYKCGQOXBWVAZ-UHFFFAOYSA-N 498.613 1.498 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1508143560 IFXXPONSBOVDGP-KRWDZBQOSA-N 494.687 1.924 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)(F)F 1508164216 ZUMKHAOSABLNQI-ZDUSSCGKSA-N 457.544 1.919 30 10 JDEE CC(C)OCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1509866872 BOJDCATVPLKHRC-UHFFFAOYSA-N 467.574 1.223 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)C1CCCCC1 1539013455 ISEOSYNIGSKPKT-ICSRJNTNSA-N 466.652 1.724 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1539206706 VFGYFWSBZRTDIE-WMZOPIPTSA-N 472.546 1.966 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCN1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 1539224344 FLAKJDZINXAXIG-LJQANCHMSA-N 492.671 1.107 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539224996 LCOOTEQRLQAUSG-KRWDZBQOSA-N 470.521 1.385 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CCN1CCOC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1539230732 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C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc([C@@H](C)OC)n1)C1CC1 1540109484 QSWPMJXAYGHWAC-PBHICJAKSA-N 482.632 1.978 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CC1 1540122320 ULIMZPBPNXXLKE-SFHVURJKSA-N 454.556 1.871 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1540872508 RLVXOVOCAKCMPN-ZIAGYGMSSA-N 455.531 1.707 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1540874701 OQCKHOQTJPYJGI-IBGZPJMESA-N 463.542 1.622 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1540901148 UMOJFKCTTQWXHV-MRXNPFEDSA-N 474.591 1.703 30 10 JDEE CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CC1 1541596558 DVJLRKBOXLUCNV-UHFFFAOYSA-N 487.630 1.791 30 10 JDEE C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1)Oc1ccccc1F 1541834811 FRSAUPGOZDKDRV-PJIJBLCYSA-N 454.503 1.937 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOC(C)(C)C)c1 1587683661 MAGYAQZXJJMZMN-MRXNPFEDSA-N 476.603 1.760 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](c1cccc(OC)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588049103 AEXNXHCQUDEMET-KNQAVFIVSA-N 495.609 1.673 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(SC)CCC1)[C@H]1CCS(=O)(=O)C1 1588054205 LJXUUMZNNNNUKO-CVEARBPZSA-N 472.658 1.093 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1588065117 UVGWUTKXRJRBGA-JOCHJYFZSA-N 478.578 1.897 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588068930 CFKGCBLWWFBPFY-UGKGYDQZSA-N 487.674 1.888 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H]1COCCO1 1588627939 BFTHLIZEUBEJKO-KRWDZBQOSA-N 452.515 1.084 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(COC(C)(C)C)on1 1588646855 NRJNJSYXQMBWBK-INIZCTEOSA-N 465.576 1.618 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccn(CC)c2=O)CC1 1588923659 HZPQBMVFWFCVQC-UHFFFAOYSA-N 459.554 1.844 30 10 JDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1593636914 UPFADAUXCQAAQH-LJQANCHMSA-N 489.621 1.563 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1595296993 KYPPNXPAHQTMFU-MRXNPFEDSA-N 487.586 1.657 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1595506664 IRFPHHRJRAVBMW-UHFFFAOYSA-N 454.575 1.805 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)OC)CC1 1595804972 JUBVEKZTDCDTMM-UHFFFAOYSA-N 451.524 1.497 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N1CCOCC1 1617868729 HUIGVDPUEHGDMQ-UHFFFAOYSA-N 451.531 1.271 30 10 JDEE Cc1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 1652044349 IAIXLNURXQMNKH-UHFFFAOYSA-N 450.520 1.715 30 10 JDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 1666567466 XXNFLGOFWMZYJP-OALUTQOASA-N 454.570 1.240 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1690174690 IEUPXCFEOPSOOR-IBGZPJMESA-N 479.672 1.776 30 10 JDEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N(C)C)CC1 1690232203 CEPGEUXAXLDRKZ-UHFFFAOYSA-N 496.435 1.388 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1690671438 WAXDGFUMNNTMLS-KDOFPFPSSA-N 497.980 1.853 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690718072 ZVSYMUZEZSCWOP-SFHVURJKSA-N 488.570 1.027 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690719002 DVKGYWSHTDXWNA-QGZVFWFLSA-N 490.586 1.119 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1690720467 KCQMFPMUUWFFQW-QGZVFWFLSA-N 489.598 1.968 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(NC(=O)N(C)C)cc1 1692779746 CWIPOYZYOUUUOL-VLIAUNLRSA-N 478.554 1.472 30 10 JDEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)C1 1692852789 HDENIFVWMBCHAU-YADARESESA-N 467.574 1.277 30 10 JDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1694783574 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1705639532 QKIPIRZOHFXPED-FQEVSTJZSA-N 456.616 1.462 30 10 JDEE C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705755542 DBDUPFFJMQNZGJ-UHFFFAOYSA-N 476.940 1.268 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2cccnn2)CC1 1705894469 AAFJNUYPDDQCSN-UHFFFAOYSA-N 495.975 1.280 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2cc(C)no2)CC1 1705936264 MSMWWFXRNPEVHK-SFHVURJKSA-N 464.592 1.392 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1705966592 LKADTDSTOFGDBO-IFMALSPDSA-N 468.558 1.839 30 10 JDEE CC(C)c1nc([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)N(C)C)CCO2)no1 1706269307 HGBGVTMOBNRLAW-KRWDZBQOSA-N 450.503 1.989 30 10 JDEE CCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)N(C)C)cc1OC 1710511132 AEXJWEYYXCIIGX-UHFFFAOYSA-N 462.576 1.984 30 10 JDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1712319935 AIXVNAQBKJMPCU-XMMPIXPASA-N 483.573 1.178 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1722275491 DWAKNERHXVHULZ-UUOWRZLLSA-N 455.559 1.903 30 10 JDEE C#CCCCn1c(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722341336 WJFOQXXFGMIFGS-JTSKRJEESA-N 456.551 1.264 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1722357899 ASXQFORHZQXZDY-CVDCTZTESA-N 473.599 1.935 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1722365155 KZSIENOPNPWABF-HOTGVXAUSA-N 456.540 1.981 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCN2CCC)CC1 1722443885 CYPYQLDLJIOGNO-AZUAARDMSA-N 493.678 1.119 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1722450373 GAQHVLQRXVTCQR-QGZVFWFLSA-N 489.573 1.397 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1722459267 HCPOCYXJVGKCMZ-DLBZAZTESA-N 451.618 1.138 30 10 JDEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(OCC(N)=O)CC1 1722538176 UYVRLVPEYWVFTG-FQEVSTJZSA-N 457.531 1.854 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722696092 ATJURFFIIWUEPW-RXVVDRJESA-N 466.590 1.021 30 10 JDEE Cc1cccc(C)c1OCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1724470306 FFPNITAPLAKJAZ-VQIMIIECSA-N 476.603 1.903 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(O)CCSC2)c1 1729341810 HILSDDPWVNKPMH-UXHICEINSA-N 480.591 1.505 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1740560162 CTAKUEBIJWRWMD-BKSPAHHJSA-N 452.603 1.641 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)Oc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1740622566 DSHCXTCOMWJZFM-QKLQHJQFSA-N 487.582 1.332 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1CC1(N(C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740625984 UQACAXRFVHZSKK-HXUWFJFHSA-N 463.648 1.748 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740626525 LLMYKKURCUEGQW-QZTJIDSGSA-N 481.619 1.666 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNc1nccc(C(F)(F)F)n1 1740655988 HKLIDCBPJHJEGN-HNNXBMFYSA-N 481.504 1.564 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1740656187 HXAMJIHXBQQHBG-PCCBWWKXSA-N 491.658 1.915 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2c(CC)nn(C)c2CC)CC1 1740692178 FQAWZTHNXNSHIB-RUZDIDTESA-N 469.634 1.981 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)OC)CC1 1740695667 AMZKMMZPHWIBDO-SFHVURJKSA-N 462.595 1.767 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCS(C)(=O)=O)C1CC1 1740761022 LUQKGFQJVYENIV-BQFCYCMXSA-N 472.633 1.175 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1740955324 QCIXMFOAIYVYNO-UHFFFAOYSA-N 478.513 1.886 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1740955606 ZWIHEDPLOHPYQB-GOSISDBHSA-N 471.587 1.227 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1740957520 QREPTEPKLJCNMN-UHFFFAOYSA-N 454.510 1.455 30 10 JDEE 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C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1507632444 LJXPWSUAGHYNQX-RBUKOAKNSA-N 492.623 1.055 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(C(=O)N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1507634224 XKHJXCZKQLFGJY-MOPGFXCFSA-N 477.631 1.447 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)n1 1507671336 JDCFSYPRJHMWHR-FQEVSTJZSA-N 456.572 1.020 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1507686759 GQZZQGZDDKJMHY-INIZCTEOSA-N 454.556 1.476 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCN2CCCO[C@H](C)C2)CC1 1507738011 FRUDHZRHZONHTK-IFMALSPDSA-N 472.634 1.986 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C(N)=O)nc2)CC1 1507741267 ONJTZSPSUQQBNQ-TZIWHRDSSA-N 493.612 1.705 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(OC(F)F)c1 1507773370 QUIISNAKTBPUIF-HRAATJIYSA-N 496.540 1.648 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1 1507796024 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477.612 1.806 30 10 JDEE C#CCSCCn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539531319 WCGNIIOUWDVPNL-GHTZIAJQSA-N 451.593 1.026 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)C(C)C 1539557686 XROVMGAYYGSRNR-GHTZIAJQSA-N 452.625 1.333 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(S(C)(=O)=O)CC1 1539616075 NXJSDHHKOTVDSC-FUHWJXTLSA-N 468.624 1.259 30 10 JDEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N(C)C)CC1)c1ccccc1 1539948917 TWBVQQBIVDCAGA-JOCHJYFZSA-N 479.629 1.971 30 10 JDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1540021572 VOTXSIUIVNICNI-IHRRRGAJSA-N 455.503 1.637 30 10 JDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(CS(C)(=O)=O)CC1 1540063794 COVPFIFNKGIYLK-UHFFFAOYSA-N 452.606 1.685 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nnc2n1CCCCC2 1540171234 XFKBIUQHWIMWBH-SFHVURJKSA-N 490.634 1.350 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1540898507 MMWRNBMYUAYVIX-MRXNPFEDSA-N 477.543 1.204 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1540901282 YSLSSZGAQDVOBS-ICSRJNTNSA-N 460.604 1.488 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1540905741 ZGDDQUYXIWGARV-CTNGQTDRSA-N 474.631 1.412 30 10 JDEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCS(C)(=O)=O 1555117511 FTGFEXRJVVBGQP-HNNXBMFYSA-N 451.574 1.742 30 10 JDEE C=CCN1CC[C@@H](N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)C1=O 1568184570 XMVNGQXTFXYTLT-DOTOQJQBSA-N 455.964 1.656 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1587689687 PKPZLZYQUHTNTI-DEOSSOPVSA-N 494.577 1.254 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(-c2nc[nH]n2)cc1)[C@H]1CCS(=O)(=O)C1 1588058754 BTUAPUOVBANWND-IBGZPJMESA-N 453.572 1.937 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1588069845 TZMNJCMXKWEAFT-GBFLJEJBSA-N 492.573 1.553 30 10 JDEE 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473.599 1.406 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H](C)N(C)C)C[C@H]2C)CC1 1760623884 WRTMMFIKQOCTBU-SELNLUPBSA-N 464.618 1.756 30 10 JDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCCN(CC)S(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1764764814 FNSTWBWCTKOWSZ-IBGZPJMESA-N 494.643 1.502 30 10 JDEE CCN1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(=O)OC)C2)CC1 1765569692 FLSPSPIXCNEPDY-OAQYLSRUSA-N 451.575 1.844 30 10 JDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(O)c(O)c1 1862607096 HAHCMNITFQZFRY-FQEVSTJZSA-N 454.435 1.583 30 10 JDEE COc1ccccc1OCC(=O)Nc1c(C#N)nnn1Cc1cc([N+](=O)[O-])cc2c1OCOC2 1870111104 YKWYWYXEAMOBQX-UHFFFAOYSA-N 466.410 1.999 30 10 JDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCC)cn1CCc1ccc(S(N)(=O)=O)cc1 1870695046 DPRGOJBXGJIMJX-UHFFFAOYSA-N 489.594 1.854 30 10 JDEE Cn1nnc(CNC(=O)OC(C)(C)C)c1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180981310 SMYGUZFJKUZQQB-UHFFFAOYSA-N 459.316 1.181 30 10 JDEE CC(C)(C)OC(=O)N1CC(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2247954428 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Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2282649662 CEKPYGBTFYOELO-FHWLQOOXSA-N 451.380 1.897 30 10 JDEE COCCN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2283072135 MPFABPFFASCNEW-UHFFFAOYSA-N 462.356 1.484 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284136178 YLDRXAIVDIWDAZ-USXIJHARSA-N 482.408 1.395 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2315694093 UYQDOEBQUNOSLV-OLZOCXBDSA-N 453.370 1.542 30 10 JDEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(O)cc1O 2329013013 BUYVVDVRQCCZDK-OAHLLOKOSA-N 460.560 1.914 30 10 JDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCc1sc(Cl)cc1C#CCO 2343815111 QUXVZGNVKDKQBX-UHFFFAOYSA-N 452.941 1.851 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2359281093 OVUJPHPJMCBKKF-QLFBSQMISA-N 461.372 1.632 30 10 JDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@H]1[C@@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C 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C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)Nc3ccccc3C(N)=O)cc21 586347128 ZEDGANHHSIRWBO-RPLXOIEJSA-N 469.519 1.656 30 10 JDEE CSCCc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 609049977 DNGRPSOAUCCYLB-UHFFFAOYSA-N 472.592 1.935 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(OC)c(Br)c2)CC1 1222547527 UVQNCCLAOJVBOK-ZDUSSCGKSA-N 459.366 1.314 30 10 JDEE CCOc1ccnc(N2CCCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2)n1 1233850786 DIEHQFBKOURKTE-IAGOWNOFSA-N 459.551 1.856 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cc(C)cc(C)c1 1286297923 ZAWAKQUTGABVCH-ICSRJNTNSA-N 461.588 1.765 30 10 JDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286313461 ADAVKDOKMFWQQW-UHFFFAOYSA-N 452.563 1.376 30 10 JDEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1286339774 PDZBUHMHKMTBRX-UHFFFAOYSA-N 463.560 1.466 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286393952 SIWZENJVCWJFCR-FCHUYYIVSA-N 486.642 1.247 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1OC 1286408263 BAPKFTMTVMQUSL-WIYYLYMNSA-N 487.582 1.160 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2OC)CCC1 1286409309 KAEAENQWFOYQCB-JOCHJYFZSA-N 497.621 1.814 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(CCOC)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1286564476 VQAKVCAMCKUVPA-GREBRCKQSA-N 463.579 1.206 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286604755 PBDOTWRPLZFTTA-QFIPXVFZSA-N 459.572 1.800 30 10 JDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(CC(F)(F)F)C1)C1CC1 1286732011 HVAXLZFKHAJFGE-KBPBESRZSA-N 450.531 1.927 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1286791062 SEIWJABDQBSOSE-UHFFFAOYSA-N 454.575 1.897 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnc(C)s1 1286820380 KMUIHGQENVTCFD-AWEZNQCLSA-N 459.619 1.182 30 10 JDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1299321325 BBYCJZYLNOANSR-BEFAXECRSA-N 460.560 1.282 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)CC)c1 1300331656 NYDPVCZMFTYSHZ-YCRPNKLZSA-N 462.576 1.106 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCCO)c1 1300333640 BDFDDZVUURFYJM-SFHVURJKSA-N 459.572 1.399 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2conc2COC)c1 1300337184 VCPRKTFUFIBSTE-UHFFFAOYSA-N 477.525 1.639 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCOc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1300480042 XCMSQIWSMMJOCF-GOSISDBHSA-N 459.572 1.430 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCC1(COC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1300491505 HWKITRQTPJNQGZ-QZTJIDSGSA-N 463.604 1.453 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1300504773 RUZUVLHIKLBILW-JTSKRJEESA-N 478.546 1.428 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)C(=O)NC 1300545519 RDDQWPZWPJYBGB-UHFFFAOYSA-N 461.614 1.488 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1300700004 KLMXWWHIAGEVAC-MRXNPFEDSA-N 454.522 1.697 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCN(C)C2CCCC2)CC1 1300728597 BAWKQCZIEUAATA-UHFFFAOYSA-N 455.607 1.241 30 10 JDEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1301164201 QIVJKRWMGJBAEL-HXUWFJFHSA-N 472.615 1.956 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1301579054 LZSFNHPFYMXGQF-UHFFFAOYSA-N 487.561 1.810 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1301593794 UOFNEWPYMUNPMZ-FXAWDEMLSA-N 489.598 1.524 30 10 JDEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCN1CCOC1=O 1305521272 HNBUCIWLBMKPSL-INIZCTEOSA-N 455.567 1.874 30 10 JDEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)C1 1314975956 APBLQYBWEADZDV-AREMUKBSSA-N 494.644 1.717 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2NC(=O)CC2(C)C)c1 1358901233 DRMXPERVPLMHKN-FQRUVTKNSA-N 494.596 1.901 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCc2ccco2)c1 1358902485 PQVCYTRJIFXZHC-LJQANCHMSA-N 475.509 1.195 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCOc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1358960632 IRNYVSWTMLWOBU-HNNXBMFYSA-N 474.493 1.719 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1358964180 VCGAYFGPOQMCMV-GVDBMIGSSA-N 475.537 1.293 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc([C@@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1358964647 CSCXFSIQJSEWAD-XMSQKQJNSA-N 465.579 1.992 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CC(=O)N(CCOC)C1 1358993301 JUZKQDBUWOQQNF-NRFANRHFSA-N 490.612 1.410 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1359023874 ZLJGDSRWTRLMDP-QGZVFWFLSA-N 484.582 1.196 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)CN2CCCC2)CC1 1359042233 XIVSTUCXMIGZEF-NBGIEHNGSA-N 472.634 1.628 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](CC(C)C)N(C)C)CC1 1359043873 MHJGRXKKZYSQCL-LJQANCHMSA-N 483.617 1.948 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCCOC)CC1 1359044211 ZONBZNTUZCUVIX-UHFFFAOYSA-N 463.542 1.986 30 10 JDEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359061116 RQQUZNRNVJPEBN-UHFFFAOYSA-N 496.637 1.768 30 10 JDEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(OCC(N)=O)CC1 1359151959 HWKFVZMYLVZOOG-INIZCTEOSA-N 484.985 1.810 30 10 JDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1359287415 BUACZIPXCJIZQF-DOTOQJQBSA-N 457.622 1.197 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1359301315 WPNZNOKDAPRJIM-VQTJNVASSA-N 472.615 1.193 30 10 JDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccccc1CN1CCC[C@@H]1CO 1447611856 ADDACPVXDKPJEL-LJQANCHMSA-N 456.568 1.388 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(n3cnc(C(=O)OCC)c3N)CC2)cc1 1447660024 JSVDZDIIPWIDMS-UHFFFAOYSA-N 459.528 1.031 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1507538646 OENYDPJKOXJBAH-PJVZLEMVSA-N 493.630 1.663 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCCCC2=O)c1 1507549840 ABNNFHLRTYPTHQ-HXUWFJFHSA-N 477.569 1.688 30 10 JDEE C#CCN(c1nnc(-c2cccc(Br)c2)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1507624832 FFSUGORVBMQPPY-INIZCTEOSA-N 490.387 1.511 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1507625821 BDBPOKJLFJBLQT-DLBZAZTESA-N 465.963 1.426 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ncccc1N(C)C 1507647102 AOLKGVZNHRTTFR-UHFFFAOYSA-N 452.522 1.774 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OCCC)nc2)CC1 1507738710 WFZQFOXAAJOXAQ-LJQANCHMSA-N 465.558 1.427 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1507750856 GMUKGGXYGHOIMW-KURKYZTESA-N 495.671 1.850 30 10 JDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1507965205 KLXJQVQCLQZIEI-UHFFFAOYSA-N 461.636 1.997 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1508089513 BXAHTASAWYGBBN-INIZCTEOSA-N 468.587 1.374 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ccccc3[N+](=O)[O-])CC2)nnc1[C@]1(OCC)CCOC1 1508098505 PROBRYFLZPRYPN-QHCPKHFHSA-N 485.545 1.467 30 10 JDEE C[C@H]1CCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1512120855 AYTMZQZGOIXBAQ-KKSFZXQISA-N 462.576 1.265 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539203598 SOGCMWMHROGBCM-WOJBJXKFSA-N 478.663 1.555 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539206061 MHYPRZXMRASDOE-YDHSSHFGSA-N 491.614 1.453 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539206628 SOEHLYYUCYWQDG-TZIWHRDSSA-N 457.600 1.921 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1539212731 XLLKHIBIASKSLE-RXVVDRJESA-N 452.584 1.928 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(CS(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1539220186 QGWJGDILYUWFAH-HXUWFJFHSA-N 478.640 1.696 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1539220409 RXXOGPRWMJDLFH-ZJOUEHCJSA-N 476.574 1.686 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1539229889 JHWIJPXROLPSGK-SFTDATJTSA-N 473.647 1.498 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1539230726 PRHDSGXGGCNHHD-SFHVURJKSA-N 471.539 1.837 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccc(OC)cc1 1539369575 MXHLTSYLWFDQCK-FQEVSTJZSA-N 461.588 1.712 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)CC1 1539473977 GFOOEXDURDIVTH-UHFFFAOYSA-N 457.542 1.544 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1539932163 XEZJULNYODGVJA-GOSISDBHSA-N 460.579 1.239 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(SC)CCN(C)CC1 1540200867 JIASRWZFZAEMIS-KRWDZBQOSA-N 457.666 1.646 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1540875043 ZWHOIRQJPGKPFN-SFHVURJKSA-N 453.547 1.332 30 10 JDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1541893986 HQBBYSSAELCORT-MRXNPFEDSA-N 463.560 1.140 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N(C)C2CC2)CC1 1547764078 FGICGRXETVDWFX-GOSISDBHSA-N 450.591 1.558 30 10 JDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(OCCN(C)C)c2)CCOC1 1547918423 FEOBMRQHSZTAMB-QPPBQGQZSA-N 470.574 1.648 30 10 JDEE COc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)c(F)c1 1554940112 GWJKTSNTFUPRKF-UGKGYDQZSA-N 492.577 1.937 30 10 JDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C[C@H](C)O1 1555404426 FVXHOFRJIVFWKS-OXJNMPFZSA-N 454.531 1.495 30 10 JDEE CSC1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1555868597 FLHXOGYHOJKNTP-OAHLLOKOSA-N 462.601 1.911 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)cc1 1586910145 BZPHWVXTKVJJTA-MRXNPFEDSA-N 452.558 1.576 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588070288 YADMURIPSOGODZ-SFHVURJKSA-N 491.589 1.928 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc2cc(OC)ccc2n1C 1588181665 ZMCUEPFORXMPNX-INIZCTEOSA-N 469.571 1.295 30 10 JDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1588385122 FJXAEXQFEAFAMV-SFHVURJKSA-N 457.604 1.736 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCCC2=O)c1 1588646086 GRKHVXRTJIHIOQ-IBGZPJMESA-N 471.583 1.441 30 10 JDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1595387113 QLPCFJVDIVRCGX-HNNXBMFYSA-N 466.564 1.069 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc3cc(C)ccc3o2)CC1 1595466430 IXFWAOZWOCHIPL-UHFFFAOYSA-N 466.546 1.495 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1595545026 PRUOGXKDIVOCEN-NRFANRHFSA-N 495.628 1.852 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1595844650 GEVBFIMDHQRLBB-LSDHHAIUSA-N 465.667 1.211 30 10 JDEE CN1CCN(CCn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)CC1(C)C 1618487569 BMVLKHMQEAYVMP-KRWDZBQOSA-N 472.619 1.024 30 10 JDEE COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1619881621 BGWXUNDSUXMSQQ-DVECYGJZSA-N 470.574 1.691 30 10 JDEE CC#CCCNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1631720034 HLACMMITBHUWSW-AWEZNQCLSA-N 453.870 1.801 30 10 JDEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1689901515 MGPSRNCVGZWZJV-UHFFFAOYSA-N 477.573 1.613 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1690031679 TYZWHFYVPOFUHU-SFHVURJKSA-N 481.944 1.313 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1690117283 BOUYWFHNXVHFPE-IBGZPJMESA-N 482.585 1.212 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(OC)OC)c2)CC1 1690124770 TYJPGKDGNWOBDX-HXUWFJFHSA-N 473.599 1.275 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1690659649 ZDNUTGOKTNFJTL-UHFFFAOYSA-N 468.562 1.277 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1690678357 UBYGGKJHJFAZMP-QKLQHJQFSA-N 474.537 1.886 30 10 JDEE Cc1nc(C)n(C[C@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CCNS(C)(=O)=O)C2)n1 1693432326 GJEGXUOQDMUEGA-IBGZPJMESA-N 483.602 1.491 30 10 JDEE CCC(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1694287075 CFOGUESXZRHBLX-DXIQSLLYSA-N 482.626 1.759 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1696622932 GPEXOZJVCBJFQU-UHFFFAOYSA-N 466.571 1.430 30 10 JDEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCS(C)(=O)=O)cc(OC)c1OC 1697252132 FZTALEXCVDSFON-IBGZPJMESA-N 453.496 1.457 30 10 JDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)CCN1S(C)(=O)=O 1698453623 GEXBVDSFFCXPJG-JGVYIQDASA-N 462.601 1.198 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1705493110 CHBRFILXSFMYNY-FLXSYLCISA-N 458.563 1.712 30 10 JDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1705531836 XZOAZFKTANPAEO-UHFFFAOYSA-N 497.625 1.856 30 10 JDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705532593 CJTJGSFFZJSCBK-HXUWFJFHSA-N 456.591 1.873 30 10 JDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1cccc(C(N)=O)c1 1705546520 KSZLAYJDTCWTOM-UHFFFAOYSA-N 465.583 1.958 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705563252 TZBGDKVFZIHLQK-SAHWJRBASA-N 490.582 1.129 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN2CCOCC2)c1 1705598396 IWFHMELLNBYJTR-HSZRJFAPSA-N 481.622 1.524 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)c1ccccc1F 1705612516 IJEHSZSUUZXOAB-FQEVSTJZSA-N 478.594 1.736 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCOCC1 1705620549 XBGDIAJXQAEIKE-UYAOXDASSA-N 475.590 1.680 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCS(=O)(=O)NC)CC1 1705632838 CNFCQAMZNMVDQK-MRXNPFEDSA-N 466.995 1.376 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(=O)N(C)C2CCCCC2)CC1 1705647481 HLOLOWBUBDSEHK-UHFFFAOYSA-N 464.574 1.492 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1705662181 SAJFCHHXYMGUND-GOSISDBHSA-N 471.612 1.140 30 10 JDEE C=C(Br)Cn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1705692410 JECRFTJKOKJSQH-FQEVSTJZSA-N 494.394 1.814 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1705825328 QNOSQLQYAOEPIQ-UHFFFAOYSA-N 450.547 1.700 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cncn1 1705864864 NYRSINWSSKZGJQ-LJQANCHMSA-N 490.565 1.234 30 10 JDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1705886274 HUVXSKAHJJRPAS-HUUCEWRRSA-N 454.622 1.990 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@](C)(C(N)=O)C1 1705896674 UQUIVMNDUDFURS-FQEVSTJZSA-N 477.363 1.720 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1705900651 LFCGWFCFMBBELZ-KRWDZBQOSA-N 450.547 1.637 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1705937962 JXANFBNFSHSPQL-SFHVURJKSA-N 458.588 1.860 30 10 JDEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H](C)C(=O)NC)c1=O 1710192339 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1722724545 ZOFBVYSEVWBRKK-UHFFFAOYSA-N 488.586 1.993 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCOCC2)nc1 1722861027 AFYNTPILXFTBBJ-QGZVFWFLSA-N 461.530 1.801 30 10 JDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCc1cnn(C)n1)S(C)(=O)=O 1722873868 FUGXBIMZUGZRSF-CVEARBPZSA-N 456.576 1.836 30 10 JDEE COc1cc2c(cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N)O[C@@H](C)C2 1730026175 CCAKHLGTQJKISP-KKUMJFAQSA-N 462.576 1.864 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(Br)n1 1740679716 HZLXRZZRQUCTRM-CYBMUJFWSA-N 471.381 1.180 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)c2ccc(C)cc2)CC1 1740695979 IKKJGGOPWKVKLJ-IRLDBZIGSA-N 486.642 1.478 30 10 JDEE C=C(Cl)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1740816643 JYSYPBXCAPCCCJ-CHWSQXEVSA-N 463.898 1.884 30 10 JDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CC(=O)N(CCOC)C1 1740899682 OOHDJEZWEMENCA-SFHVURJKSA-N 454.579 1.569 30 10 JDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1740942939 UFKCZWQUWGEALZ-CQSZACIVSA-N 452.968 1.690 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(F)(F)CC1 1740959006 IMPMXXCZRJXHLQ-UHFFFAOYSA-N 453.519 1.776 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740964077 GITLTDPBFWFBAG-UHFFFAOYSA-N 496.612 1.797 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(F)c2)C1 1740971911 AEDNPEBILKDWEQ-HOCLYGCPSA-N 453.540 1.866 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC(OC(C)(C)C)C1 1748791303 RNLNXCOPUKUHNC-DAWZGUTISA-N 453.609 1.664 30 10 JDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCNC(=O)c1cccc(O)c1 1748799095 OJGSMEXAVMTTKC-UHFFFAOYSA-N 452.540 1.865 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1748801848 HYYAMDHXYMVQKR-HZPDHXFCSA-N 478.525 1.988 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1748803957 BLRHIKIKYWPBBN-IPJJNNNSSA-N 466.604 1.372 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C2CC2)c1)[C@@H]1CCS(=O)(=O)C1 1748805497 SNMLPKHEFUWBGP-OXQOHEQNSA-N 491.639 1.441 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748808748 MRCAIHCRSQBSAL-XMSQKQJNSA-N 492.623 1.136 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1748814181 ALVMHKHCJMLZAX-AZUAARDMSA-N 485.610 1.842 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCOC[C@H]2C)CC1 1749003499 LMUMARXHKKIBIS-FPGHNAPASA-N 459.591 1.569 30 10 JDEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749187691 XUSJRCNLJWIFAS-SFHVURJKSA-N 465.558 1.982 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(Br)C1 1749228484 AHZHJHQWCDZKHD-MRXNPFEDSA-N 490.424 1.693 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](OC)C(C)(C)C1 1749228735 CERGOWIAQZBBHE-IRXDYDNUSA-N 457.597 1.065 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1749721390 IRWUDJCAEYTCLE-NXOAAHMSSA-N 459.638 1.504 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCc1cnccn1 1749727112 NCOLVIVXHPGMCD-UHFFFAOYSA-N 470.555 1.786 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749727508 WGBHZWHJWYIWKU-LJQANCHMSA-N 454.556 1.619 30 10 JDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1760146622 RAOGBZHSDTUTQT-GOSISDBHSA-N 473.603 1.301 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1760184636 XPNZKZABWDDMTI-UTKZUKDTSA-N 480.612 1.136 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCNC(=O)OC(C)(C)C)CC1 1760257220 REFZYVBGAZXZEY-QHCPKHFHSA-N 462.595 1.600 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1760257356 UROXIFNJDLIESO-URXFXBBRSA-N 458.607 1.332 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1760357202 GMTPOTXUPPPSIQ-HZPDHXFCSA-N 465.542 1.846 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1760440052 AYSOEOFRNUJOGX-NFBKMPQASA-N 475.615 1.984 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN2c2cnn(C)c2)C1 1760535858 YICNVWFZFFBKLG-ZHALLVOQSA-N 478.623 1.072 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CCCCC1)N(C)C 1761362522 CVDHWFLUMMXBKV-MISYRCLQSA-N 481.667 1.860 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1772660359 HLWOHRLSKXTIJS-IAGOWNOFSA-N 475.571 1.278 30 10 JDEE CN1CCN(Cc2cc(=O)c(OCC(=O)Nc3sc4c(c3C#N)CCC4)cn2CCO)CC1 1870324714 WUQJCNUUXNDNPG-UHFFFAOYSA-N 471.583 1.027 30 10 JDEE C=CCn1cc(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)c(=O)cc1CN1C[C@@H](C)O[C@H](C)C1 1870428313 BVLHMOIUCCKCEU-QZTJIDSGSA-N 481.557 1.137 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)NCCCn2ccnc2)nc1C 1872649335 UXHUJKPQUIFXMU-UHFFFAOYSA-N 489.514 1.140 30 10 JDEE C=CCn1c(C(=O)N2CCN(CC)CC2)cc2c(NCc3ccc(S(N)(=O)=O)cc3)ncnc21 1875230144 QJCSZVLWGIYRHZ-UHFFFAOYSA-N 483.598 1.655 30 10 JDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cccnc3O[C@@H]3CCOC3)CC2)CC1 1890214005 VYHRQHSMMFSLSB-HSZRJFAPSA-N 470.614 1.900 30 10 JDEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2124734202 WSSCMXXMPHUTKE-MOPGFXCFSA-N 451.531 1.634 30 10 JDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F 2267208106 VYHOGBSQHORJRY-GFCCVEGCSA-N 456.295 1.879 30 10 JDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267376422 VNWINHOMVHKHER-INIZCTEOSA-N 470.397 1.492 30 10 JDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C 2281806851 HGCCRDAIAYAEKB-MRXNPFEDSA-N 464.368 1.952 30 10 JDEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CNC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)O2)C1 2281930884 QABSPUAHZXZPHU-CQSZACIVSA-N 462.356 1.607 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C(F)F)C1 2282037122 RHXNAWJKKSSNKY-GXTWGEPZSA-N 470.326 1.950 30 10 JDEE COCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2282044219 RUHAOECCMGOZOS-UHFFFAOYSA-N 464.372 1.521 30 10 JDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282336352 BSKZFESMNIGDIU-OAHLLOKOSA-N 484.428 1.739 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2282337835 JPHOKVGQXJCXDR-QKKBWIMNSA-N 482.412 1.255 30 10 JDEE Cc1nc(S(=O)(=O)NC[C@H]2CCCN2Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282507928 OBCIKBLIODZEHK-LJQANCHMSA-N 474.436 1.971 30 10 JDEE CC1(C)OB(c2ccsc2C(=O)N2C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)OC1(C)C 2282687028 ZOKZZZUOWMNLSB-GHMZBOCLSA-N 475.298 1.042 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@]23CCN(C(=O)OC(C)(C)C)C[C@H]2C3)n1 2282832965 DSFJTGIGZJEQNF-SZNDQCEHSA-N 482.412 1.397 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@@H]2[C@@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)s1 2284128304 CVLMYJNOSVLWCJ-PVAVHDDUSA-N 482.408 1.313 30 10 JDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C[C@H]2OCCC[C@@H]21 2288406512 PMFPBMMYSWLWAE-OSRJUQGESA-N 480.396 1.660 30 10 JDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NCCC(=O)NCCC(=O)O)C(=O)[C@@]12C 2297591164 QDQKPMVKDKYAQJ-DEOSSOPVSA-N 486.477 1.139 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]2(NC(=O)OC(C)(C)C)CCOC2)n1C 2362340941 QFRJBHFYKFUGCU-QFIPXVFZSA-N 464.372 1.441 30 10 JDEE O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCC3)NCC#Cc1ccc(N2CCOC2=O)cc1 96349637 VAPOYYYDJLPOAI-KRWDZBQOSA-N 450.520 1.893 30 10 JDEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](N(C)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204863784 DZCYKKVZKJAGBC-WBVHZDCISA-N 475.399 1.726 30 10 JDEE Nn1c(NN=Cc2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 1084567404 BPYAMWQLPPNXNI-UHFFFAOYSA-N 457.432 1.985 30 10 JDEE C=CCN1CC[C@H](N(C)C(=O)c2ccc(I)cc2-n2cnnn2)C1=O 1139239095 GSHYPOYUXQWTRD-ZDUSSCGKSA-N 452.256 1.126 30 10 JDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 1157854116 AKQQYMSLVKFYGP-NVXWUHKLSA-N 450.561 1.988 30 10 JDEE Cc1ccc(NC(=O)N2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)cc1 1168457465 BPXWNPFCXJDMLO-UHFFFAOYSA-N 451.531 1.661 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCn2ccnc2C)c1 1286309354 RGLZRHXTOWZBIM-UHFFFAOYSA-N 460.542 1.775 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1286350110 VHCURAKQOFSCCJ-ICSRJNTNSA-N 494.662 1.402 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1286383080 LADUDZYBICNESW-IPJJNNNSSA-N 464.588 1.638 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1286387961 JFJXGNWEEJTBDK-GOSISDBHSA-N 453.524 1.620 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OCCOC)cc1)[C@@H]1CCS(=O)(=O)C1 1286395173 RAXZSLLUCOXKRE-WOJBJXKFSA-N 474.583 1.482 30 10 JDEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1286395914 OYHAEYMGMMVIES-PGRDOPGGSA-N 476.624 1.657 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cn2cccn2)cc1 1286448466 VIKQPFVVRWFOLS-OAQYLSRUSA-N 483.598 1.364 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccc(OC)cc2OC)CC1 1286472781 KUFBRTVJHQFJIU-VWLOTQADSA-N 469.586 1.945 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1286485052 BODRRYHVIKFPLW-LJQANCHMSA-N 494.596 1.956 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1286489620 ZKSUGZNPZNLCBT-GOSISDBHSA-N 491.017 1.927 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC1CCCC1 1286553387 DLINUJMTBRQODT-QRQLOZEOSA-N 469.608 1.903 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 1286627477 GIUOIFMIHZHJFG-CABCVRRESA-N 464.958 1.784 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCS1(=O)=O 1286744718 KWTNNNSGXSSQHF-SFHVURJKSA-N 497.618 1.547 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(N2CCNC2=O)CC1 1286781069 NZZKTNQOSGDHIV-UHFFFAOYSA-N 480.573 1.443 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(C)=O)CC1 1286815760 DQPKUZQMZVHYDT-UHFFFAOYSA-N 467.979 1.876 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1286817825 YLQGKCBIYLTVNV-UHFFFAOYSA-N 466.571 1.478 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCN(CC)C(=O)C1 1286819190 CUTDXRVJNWBQMF-UHFFFAOYSA-N 485.570 1.253 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1286821453 LLOIEBZNWDQKCT-NRFANRHFSA-N 482.603 1.624 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCC(F)F 1288517031 HMJCVXINJYLWDP-LBPRGKRZSA-N 454.507 1.358 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)Cc1ccc(F)cc1 1300309532 HSHYDIGPPMYKOD-PXNSSMCTSA-N 478.594 1.340 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCN1CCCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1300479866 TZNKROSIPLFQFM-VQTJNVASSA-N 499.641 1.817 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(=O)C1CCC1 1300538466 QRYPOTIAMQYEGI-FQEVSTJZSA-N 484.601 1.966 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOC)CC1 1300725790 KCAKBJLWFVELJB-UHFFFAOYSA-N 452.563 1.064 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCN(CC)CC2)nc1 1300778763 HTFFWXNGSLGPEA-RUZDIDTESA-N 464.618 1.994 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2nccs2)CC1 1301086251 GUCZMXOCXKSPKO-MRXNPFEDSA-N 452.606 1.857 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1301475247 NRZMMBKVSQJHRT-UHFFFAOYSA-N 495.584 1.521 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1301490190 MTKPEJCOMFUEQM-UHFFFAOYSA-N 466.995 1.666 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1301500516 MYSFYFWVWTUJSA-LJQANCHMSA-N 471.583 1.582 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1301514271 IANQYARWJTZWHW-IBGZPJMESA-N 472.565 1.847 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1301579364 QGAYQWDAZBKHML-UHFFFAOYSA-N 475.663 1.869 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCCN(C(C)=O)CC1 1301593447 NRWLKCFXDDGKHX-UHFFFAOYSA-N 477.587 1.525 30 10 JDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 1301609635 MMXFMXWCERBXOT-UHFFFAOYSA-N 496.641 1.369 30 10 JDEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)CC1)S(C)(=O)=O 1313798797 GHDUXEFPPACWFE-UHFFFAOYSA-N 475.575 1.377 30 10 JDEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CCOC)CC2)CC1 1313924159 CJGCJCOMTZZSLB-NRFANRHFSA-N 466.634 1.611 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1358955992 YEFIGMDPHXDLTB-DOTOQJQBSA-N 476.628 1.709 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1358964448 ZFGZBAXKYNUWLR-QUCCMNQESA-N 491.639 1.143 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[C@H]1COCCO1 1359023664 RFAQTVMALLSZDY-SFHVURJKSA-N 466.542 1.566 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)N2CCC(OC)CC2)CC1 1359040165 KIAYOQCMCJTRPP-UHFFFAOYSA-N 487.649 1.272 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1359042147 UGXCLWZMQCXLIR-NWVWQQAFSA-N 459.591 1.447 30 10 JDEE C=CC[C@]1(C(=O)N[C@@H]2CC(=O)N(CCN(C)CCOC)C2)CCCN1C(=O)OC(C)(C)C 1468667789 BMELPDLRJPMATM-WZONZLPQSA-N 452.596 1.628 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cnn(Cc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 1507623537 YRRIXVFVISDEPI-NRFANRHFSA-N 495.609 1.336 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1507628173 VJSZPLDDFUBLRA-REHUZNOOSA-N 469.611 1.925 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1507628916 QPSVGHCXQDPLIC-NRFANRHFSA-N 467.599 1.896 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1507635588 XQHRSYIBNKTYKS-OAHLLOKOSA-N 452.527 1.935 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)CN1CCOCC1 1507645165 VMIDGDJOABHITD-IBGZPJMESA-N 455.584 1.390 30 10 JDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN(C(C)=O)C1 1507673121 PRIPRZQRAJZOJW-IBGZPJMESA-N 452.584 1.991 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)N2CCOCC2)CC1 1507740076 NVGQDDKDNWBWTL-UHFFFAOYSA-N 465.602 1.341 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1507741315 ZALHBBLYBPGHRY-UGKGYDQZSA-N 454.575 1.348 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1507756495 ZOZDWHFTEQNHPD-HXUWFJFHSA-N 495.653 1.973 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1507806601 PLGODRZMJQRDCG-NPGRCNIMSA-N 469.608 1.254 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)nnc1C(C)(C)C 1508099480 YXELODOVFVWWQX-OALUTQOASA-N 459.639 1.695 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1508130939 JLOGHWGBUZEKAB-GOSISDBHSA-N 461.592 1.461 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1508131163 LAVKASKTFXDWEY-HXUWFJFHSA-N 487.582 1.450 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1508136888 WOTUZVLHPKRNFO-HXOBKFHXSA-N 492.598 1.947 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](n3cc(C)cn3)C2)nnc1[C@@]1(OCC)CCOC1 1508149027 NMXZVSAAJKIVPY-SIKLNZKXSA-N 478.619 1.877 30 10 JDEE CNC(=O)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1517441946 GQUXSWPFSYQNIZ-UHFFFAOYSA-N 482.564 1.510 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)COCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539201265 ZRJLJMQWXSGXOW-IFMALSPDSA-N 499.637 1.994 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCC1CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1539202204 GQMKEEKJWNFFER-XBMUEBEBSA-N 486.598 1.757 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1539224932 KMQRUJXZOAQKPH-XMSQKQJNSA-N 455.540 1.391 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1539226453 YKYVEECHLGCTLB-IBGZPJMESA-N 470.599 1.197 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1539642939 SSAWDXQYSGMNQU-PGRDOPGGSA-N 473.578 1.853 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(CCC)C1 1539669372 PHVRKWXVRQGMFM-RBUKOAKNSA-N 454.641 1.745 30 10 JDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1539702058 ZFVZOKAPCDJKQL-CQSZACIVSA-N 451.578 1.081 30 10 JDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1539742580 GMTARPJCTBPVRY-UHFFFAOYSA-N 469.590 1.806 30 10 JDEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCS(=O)(=O)NC(C)C)CC1 1539839876 FYBGYIZWCBMOGN-UHFFFAOYSA-N 457.564 1.405 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1540904933 PKEOPUVLPGLQBN-UHFFFAOYSA-N 493.634 1.525 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)NCC)CC1 1540905600 XREZVQORTXCHJG-UHFFFAOYSA-N 464.567 1.460 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 1540909655 MMWRMBKHWZWITO-MRXNPFEDSA-N 471.653 1.145 30 10 JDEE C[C@@H](C(=O)N1CCCC1)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)O)CC1 1541121061 BMMUEIPQOJKCTH-SFHVURJKSA-N 451.575 1.721 30 10 JDEE CC(C)(O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1541244488 FTAKRASEDSCQDV-UHFFFAOYSA-N 460.542 1.798 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCN(C)CC(F)(F)F 1541920632 BCZJSLLNGVLXRB-ZDUSSCGKSA-N 451.519 1.512 30 10 JDEE COc1cc(OC)cc(N2CC[C@H](NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)c1 1587365450 BAKUHKMRSFWOLZ-HNNXBMFYSA-N 458.540 1.528 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1588041538 XOFPHVJUCZTWMQ-INIZCTEOSA-N 458.569 1.789 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccc(C[S@@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1588073921 FWARQJHDQXNDKR-WWOZWPLTSA-N 464.613 1.368 30 10 JDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ncn(-c2ccccc2)n1 1588158788 JXTNLNQDYJCWGV-UHFFFAOYSA-N 456.535 1.971 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(Cl)c1 1588233704 OYHSJDHHCGSFIU-FQEVSTJZSA-N 492.001 1.806 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(N(C)C)nc2)CC1 1588749937 AZUCMUQYSJSQNK-XMMPIXPASA-N 453.591 1.583 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC2(CC1)OCCO2 1589496135 WOWYVUOQWBYBFE-LMMKCTJWSA-N 483.635 1.991 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C(N)=O)CCCC2)CC1 1594241158 HTNDMDPZKAZZMO-QGZVFWFLSA-N 466.608 1.059 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1595466448 JDRBVWZBQLBNIF-UHFFFAOYSA-N 459.595 1.338 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 1595722802 NHNAQPYSXFKSLF-PMACEKPBSA-N 494.639 1.554 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](c3ccco3)C2)nnc1[C@@]1(OCC)CCOC1 1595831646 VGJLCPIYMIFKKM-WIYYLYMNSA-N 466.560 1.702 30 10 JDEE CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1596575936 CLEIBJGBGPBSJT-TZIWHRDSSA-N 454.531 1.497 30 10 JDEE CCOC1CC(CCn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)C1 1616511582 DLMLFOPRLXDLOF-LMDPOFIKSA-N 481.605 1.998 30 10 JDEE COc1cc(OC)cc(-c2nnc(N3CCC(C#N)CC3)n2CCC(=O)N2CCOCC2)c1 1619128521 CIVXWPKNCVARAA-UHFFFAOYSA-N 454.531 1.951 30 10 JDEE C=CCN1CC[C@H](N(C)C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)C1=O 1635209300 AUTFKJKQPBJPKA-SJORKVTESA-N 455.964 1.118 30 10 JDEE C#CCN(C(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1649385124 MIFAYBIXFCTMEW-IBGZPJMESA-N 454.527 1.989 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)nc1 1690104226 QDHJZUWNYKKROH-INIZCTEOSA-N 487.504 1.651 30 10 JDEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1690105938 FHAASLFAKJMKDZ-QFIPXVFZSA-N 462.572 1.110 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCNS(=O)(=O)c2ccccc2)CC1 1690139155 BNEFIUDRTAOANA-UHFFFAOYSA-N 496.593 1.791 30 10 JDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCCN(C(C)=O)CC1 1690226487 AEEYRZYFLBANEJ-UHFFFAOYSA-N 451.325 1.973 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)CC1 1690244970 BEZWHOYEUNTOPU-QRVBRYPASA-N 453.609 1.829 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC2(CC1)OCCO2 1690313222 NYDMMBPNHHTUJX-KRWDZBQOSA-N 454.593 1.895 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690421240 ZMNVUELXPAXRIO-IRXDYDNUSA-N 468.624 1.318 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)CC1)C(C)C 1690581559 ULQIEHRZYRVUCI-ROUUACIJSA-N 450.609 1.163 30 10 JDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1690729494 OCEVVHJAEJBVKW-CVEARBPZSA-N 457.597 1.765 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1690744364 NMOMIOHDHMVABY-GDBMZVCRSA-N 454.622 1.140 30 10 JDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCS(=O)(=O)CC1 1691334632 BWUQIHDNATZYRQ-KZNAEPCWSA-N 451.593 1.750 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1705490080 BRBFEJDDFSCMQH-INIZCTEOSA-N 473.541 1.676 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1705567435 WHJKMRYFSUWZHI-HZPDHXFCSA-N 450.590 1.201 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1705569010 YHZJTUYYIQSRHL-INIZCTEOSA-N 487.003 1.182 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1Cc2ccccc2C1 1705628284 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C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2C)nc1 1705883992 BRWLMOBKKSMCSG-LJQANCHMSA-N 471.587 1.756 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1705907279 GUNYKZMZGBERDT-UHFFFAOYSA-N 466.586 1.965 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@@H](C)C1 1705931032 CGQNYDIUEDMZIZ-HNNXBMFYSA-N 470.642 1.891 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1705937705 BXYQAVFAWKRMCD-GOSISDBHSA-N 461.592 1.348 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](c1ccccc1Cl)N(C)C 1706888798 AMJVSFDRESMJKG-HDMKZQKVSA-N 482.010 1.573 30 10 JDEE CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCCC2)C1 1712694902 COBFOVSHMIYYDY-FQEVSTJZSA-N 458.588 1.838 30 10 JDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1722330021 OFFJCAHFKFEMFO-UHFFFAOYSA-N 469.571 1.123 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722359226 JUCURSPRVVEVTR-RTBURBONSA-N 466.567 1.358 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(OC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722360111 ZACMITDTGZNNJP-GOSISDBHSA-N 463.604 1.490 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC(F)(F)C1(OC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1722360759 JLGVRBYYVFHWEE-INIZCTEOSA-N 496.540 1.193 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1722363960 VZYFWAFCQCMVPN-OALUTQOASA-N 476.624 1.705 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1722366065 OPPPQTLYIVCKNE-KRWDZBQOSA-N 464.617 1.175 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCOCCC=C)[C@H]1CCS(=O)(=O)C1 1722366262 HARHRKQPDCEMJM-INIZCTEOSA-N 461.544 1.225 30 10 JDEE C#CCN(c1nnc(COCC)n1CC(=O)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722370644 PRCNLWBWIJAVNG-LJQANCHMSA-N 459.572 1.100 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1722370914 FTYKWFDDLKXBJJ-GOSISDBHSA-N 499.618 1.953 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccccc2OC)CC1 1722440225 AXKJFVXAGMUKBP-UHFFFAOYSA-N 452.559 1.633 30 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481.594 1.765 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1722693023 BKPYGLZQUPBTCL-UHFFFAOYSA-N 488.552 1.858 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1722698637 JDMWUEAYJMLCKS-VGOFRKELSA-N 494.017 1.320 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1722698927 PHYLQUPCPBHTFR-QUCCMNQESA-N 472.615 1.193 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722702245 MHTCYWMYLFPKAM-SFHVURJKSA-N 476.603 1.246 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1722727445 OMXXFTNLMXJMIY-FUHWJXTLSA-N 451.593 1.616 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCc3c(ccnc3O)C2)nnc1[C@@]1(OCC)CCOC1 1722731996 SOLRJOAIGFYWHJ-OAQYLSRUSA-N 463.560 1.194 30 10 JDEE CC(C)(C)OCc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)no1 1723010698 CEWGVTJQXFJHOV-JLTOFOAXSA-N 466.539 1.974 30 10 JDEE C[C@@H]1C[C@H](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)CCO1 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497.415 1.652 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1539615809 MEOZPONVBIFHLA-OKYOBFRVSA-N 482.651 1.563 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1540901116 SVENCNFOLNATDN-UHFFFAOYSA-N 475.619 1.009 30 10 JDEE C=C[C@H](COC)NC(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 1556293476 XCUQZPFYNJLQBO-GFCCVEGCSA-N 451.314 1.540 30 10 JDEE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1 1567482598 CDGHXKLBTCVZGP-HNNXBMFYSA-N 453.524 1.951 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CCSC2)c1 1587683472 KDKFIIUSISGFFH-QFIPXVFZSA-N 456.572 1.341 30 10 JDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1587765477 HBBGOJGLVQYIKS-FQEVSTJZSA-N 486.646 1.774 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1588029630 JQJVBGLJCVMAFJ-QZTJIDSGSA-N 454.556 1.908 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1588034987 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487.611 1.915 30 10 JDEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](OC)[C@H](OC)C2)CC1 1710298385 BNDSJLCLAOTCMC-SZPZYZBQSA-N 453.591 1.694 30 10 JDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCN(C(C)=O)C2)c1 1711702989 CSSQBQFQDRZOPE-LAUBAEHRSA-N 454.531 1.950 30 10 JDEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCOCCOC)[C@H]1CCS(=O)(=O)C1 1722360900 CRUNLMXITCULCO-IBGZPJMESA-N 469.567 1.783 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722370648 DFSLVBUWBKBEJH-IBGZPJMESA-N 463.629 1.279 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1722372093 OYSMALVNUNMILP-IAGOWNOFSA-N 468.530 1.191 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1722440611 KOLGKFTYMIFWJV-UHFFFAOYSA-N 474.613 1.839 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1722463055 WBIRMTSXEMUEJG-UHFFFAOYSA-N 468.583 1.435 30 10 JDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1722535133 ZUTGZGKKMIASAP-IBGZPJMESA-N 454.579 1.461 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722655764 KLQKADCMKYOGAN-HXUWFJFHSA-N 472.615 1.988 30 10 JDEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722683268 JKGKTYGDCSRHBL-UHFFFAOYSA-N 470.574 1.901 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1722724073 MECIRIHMPVBEFL-LJQANCHMSA-N 481.644 1.502 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1722732186 VZLGXGDMIMAASS-INIZCTEOSA-N 463.560 1.133 30 10 JDEE Cc1cccnc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1724799121 DRBDCNKMAMSVCZ-GOSISDBHSA-N 480.598 1.838 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCOC1 1729396299 CDXRFTWDNRSIOC-VQTJNVASSA-N 474.587 1.546 30 10 JDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCOC)[C@H](C)C1 1729616520 GJZWKHJINTZYQM-GOSISDBHSA-N 469.590 1.658 30 10 JDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1740576575 ABBQIWREMCVKCA-UHFFFAOYSA-N 452.563 1.638 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1740623353 RWFJWPDZMMAJEM-RBUKOAKNSA-N 464.636 1.365 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740626182 KBYWUHYDBSWTDO-IAGOWNOFSA-N 477.553 1.683 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1740626396 UJKJFAUIOQSKPP-LJQANCHMSA-N 454.556 1.470 30 10 JDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1740627647 RQRQVHJTDSNRSK-XLIONFOSSA-N 474.583 1.968 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)COC)CC2)nnc1[C@]1(OCC)CCOC1 1740766321 HASWXKBGFPVXJY-RFWXGWTQSA-N 463.579 1.206 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1740955535 XCKVOLBAIHFQIT-HSZRJFAPSA-N 497.644 1.487 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1740960780 ANNKOGMCVQFIBX-MRXNPFEDSA-N 468.537 1.885 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1740985258 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454.597 1.072 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cnc(C)s2)CC1 1760402816 VRGFHVJQDMYFSF-QGZVFWFLSA-N 452.606 1.827 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760526076 CWYQBHBUSFYNLH-UHFFFAOYSA-N 490.568 1.288 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(S(C)(=O)=O)CC2)C1 1760536959 KMSHBENCSIIYJW-DYESRHJHSA-N 454.593 1.677 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccn1 1760566233 PAXQKCSEWTXVGH-KRWDZBQOSA-N 452.606 1.562 30 10 JDEE Cc1nnc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)s1 1762488367 GLKZQNLJCYKUFL-UHFFFAOYSA-N 472.600 1.691 30 10 JDEE CCc1nc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)cs1 1762756242 DUGUNMUIZKGPCU-KRWDZBQOSA-N 479.632 1.613 30 10 JDEE CCCN(CC)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1764310417 FACKFNGMZYVDAU-WIYYLYMNSA-N 467.640 1.473 30 10 JDEE CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1766509917 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10 JDEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507788551 QEAKVEUGEFMCBM-UHFFFAOYSA-N 460.336 1.693 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1507844391 JCQSCGYZUAMIPJ-ZWKOTPCHSA-N 453.609 1.514 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1508070965 GZWJBIGTIMLKRD-QGZVFWFLSA-N 465.518 1.022 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H]1CCCCO1 1508073838 PKSQIVAUWXSGCN-SFHVURJKSA-N 476.603 1.503 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1508073866 MUSBUVKHMZBQQB-UHFFFAOYSA-N 463.945 1.250 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)C2CCCCC2)C1 1508127662 WCLOWAZOAPBYFW-LEWJYISDSA-N 496.678 1.657 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnc(C)s1 1508161746 MVWFJCZCSCBCGZ-MRXNPFEDSA-N 472.662 1.932 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCCCC2)CCO1 1508381688 HNDWIRWVFSPJOZ-QHCPKHFHSA-N 481.601 1.946 30 10 JDEE CC(C)CN1CCC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)C1 1509406003 GGSPKQADQZDXTM-UFYCRDLUSA-N 481.667 1.717 30 10 JDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1539067875 LFJATAPNQJEETD-UHFFFAOYSA-N 469.590 1.800 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1c(O)nc2ccccc21 1539326039 QSQRTWCAZHWEJQ-KRWDZBQOSA-N 452.540 1.399 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OCC 1539326305 USNNLEVONZKMOC-QFIPXVFZSA-N 485.610 1.829 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1539477475 NYFXSHYCFQZGMC-UHFFFAOYSA-N 493.568 1.719 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC(=O)NCC(F)F)CC1 1539484195 GRYYQXHPVDQMKN-UHFFFAOYSA-N 483.523 1.697 30 10 JDEE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4n(c3C#N)CCOC4)CC2)cc1 1539553712 PKXFXLQTMMGQGY-UHFFFAOYSA-N 457.512 1.527 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCCC1 1539668868 GXXRCKMPQMLDSG-LJQANCHMSA-N 454.641 1.889 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1539704864 JWKMZZOGQMKXGS-FQEVSTJZSA-N 494.662 1.662 30 10 JDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(OCC(N)=O)CC1 1540873699 GSHPEGMIAPNBRS-UHFFFAOYSA-N 451.531 1.054 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1540905743 ZGDDQUYXIWGARV-PZJWPPBQSA-N 474.631 1.412 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ncc(Cl)n1C 1540907268 QGZBGZAMVXYTPH-UHFFFAOYSA-N 466.999 1.764 30 10 JDEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCOC2)CC1 1541007018 IKVQBTMSCQEKJY-HXUWFJFHSA-N 453.547 1.118 30 10 JDEE Cc1noc(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1543412410 COFDYTMZIAJPFO-UHFFFAOYSA-N 459.532 1.367 30 10 JDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)n1 1561532010 YREBUTKCJRRUHH-UHFFFAOYSA-N 458.462 1.646 30 10 JDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1587719283 YLZMQWNWZPBELL-UYAOXDASSA-N 489.598 1.359 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1c(C)noc1C 1587765472 GYXMVPIDRFILSD-SFHVURJKSA-N 450.565 1.656 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588041189 VUPHPOIOBVDXOM-IBGZPJMESA-N 468.583 1.606 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCNC(=O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1588055291 VBTGDSGCFODNIF-IAGOWNOFSA-N 461.544 1.169 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588069144 IDFLUIKOOPDZKF-HXUWFJFHSA-N 491.589 1.345 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588069506 PLNODGXRAXGRQY-XXBNENTESA-N 477.631 1.359 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1588139230 NUHWMHCIMCUSFO-QZTJIDSGSA-N 461.588 1.653 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(C)C 1588233445 JEKVQOVRSRXCNA-JOCHJYFZSA-N 485.610 1.909 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1589047607 BZYDRCNMSMCCMA-UHFFFAOYSA-N 454.560 1.740 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1589047726 GZYWWPIGEIHUGG-LJQANCHMSA-N 470.647 1.568 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1589493719 INJLFLKLMNTAQH-WOZUAGRISA-N 477.606 1.811 30 10 JDEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 1593782856 WYZCPLIDIYYCSQ-LJQANCHMSA-N 482.585 1.643 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)C(C)C 1595171649 XOTUKSBFKWKXMO-RTBURBONSA-N 498.632 1.448 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1595544849 NDSLMCNGVUVLTP-LJQANCHMSA-N 456.522 1.923 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1595594798 PNVPSGLXWAANRD-UHFFFAOYSA-N 451.524 1.312 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(=O)NC 1595831819 WUPCZGPBJIBFFT-INIZCTEOSA-N 484.623 1.523 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccccc1CN1CC[C@@H](O)C1 1611658376 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1690095173 HBRKXHRZCGNQOM-UHFFFAOYSA-N 484.420 1.957 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccccc2)N(C)C)CC1 1690143966 HXBMDEUHDDTGBR-LEWJYISDSA-N 463.586 1.498 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@]2(O)CCOC2)CC1 1690152215 CDKGCXCPRWCSCY-DEOSSOPVSA-N 453.543 1.283 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2nccs2)CC1 1690156367 WHWQFXQNUCGOOV-JKSUJKDBSA-N 483.689 1.594 30 10 JDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690183059 LHMDLVQCPVLHQJ-UHFFFAOYSA-N 493.637 1.840 30 10 JDEE C#CCSCCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690186434 QEGHATZVDVOZLA-JOCHJYFZSA-N 473.603 1.272 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(C)(C)CN1CCOCC1 1690226576 DNTBOKXMOXJYHJ-HNNXBMFYSA-N 455.401 1.932 30 10 JDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1690539467 APKCBWKQCRPVIO-FQEVSTJZSA-N 466.585 1.053 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1690661672 CVBVXNGYWHWESU-FQEVSTJZSA-N 467.530 1.366 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@@H](C(=O)NC)C1 1690663050 KRZOORDOUJKBBC-OAHLLOKOSA-N 497.781 1.614 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC2(CC1)COC(=O)N2 1690677327 URQOHCLNTXYRGH-UHFFFAOYSA-N 456.503 1.247 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCN1CCOCC1 1690678239 PFUIXSLKGHSUFM-SFHVURJKSA-N 477.610 1.421 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1705565158 STRYCRUKCDQPGL-UWJYYQICSA-N 457.581 1.936 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705567943 DGBBUHRYHASXSH-MSOLQXFVSA-N 490.655 1.392 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccccc2c1C 1705583442 YJLXHVAZDPRFSR-OAQYLSRUSA-N 467.551 1.787 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccccc2C)CC1 1705645606 YIXUAGRPUJFABV-GOSISDBHSA-N 472.615 1.405 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705890936 QNKCHPLPEKCWMK-MSOLQXFVSA-N 459.551 1.874 30 10 JDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1705900565 IKEYHFAZZUSYCE-UHFFFAOYSA-N 485.614 1.979 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705906929 TXZSLBKGXMCYKD-OAQYLSRUSA-N 495.628 1.601 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1705935701 AQPLNTNEPFBMBX-IERDGZPVSA-N 498.602 1.018 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1705938605 DTMZQPGUCVFPNE-KNQAVFIVSA-N 468.620 1.784 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1722360587 AYRBHZFBCYMAPK-VGOFRKELSA-N 460.556 1.386 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1722372150 QJIXBLZFZLKLPD-IFMALSPDSA-N 488.610 1.504 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCS(=O)(=O)N(C)C 1722468619 RHISOAHDDILPQP-JOCHJYFZSA-N 477.587 1.854 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc(CC)nc1C 1722516523 ATHMUEXZRJSVDU-KRWDZBQOSA-N 452.581 1.921 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(C)=O)nc1 1722517622 MIQCXDHRLLOGGD-GOSISDBHSA-N 477.591 1.415 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(N(C)C)CCSC2)CC1 1722565812 BZZJWJVDJLPLIY-FXAWDEMLSA-N 470.665 1.205 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C(=O)NCCC)CC1 1722697866 SHULTQIPUCNQBD-UHFFFAOYSA-N 478.557 1.639 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(N3CCCC3=O)c2)C1 1722710657 MJOOSIXAXBGEGV-XLIONFOSSA-N 488.614 1.845 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1722730034 GFHCLVBQNCQFMW-JOCHJYFZSA-N 459.572 1.625 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1722731182 GAYYCHGJWFSSSC-NRFANRHFSA-N 466.535 1.593 30 10 JDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722737953 XCNDIKCFOUSWOH-INIZCTEOSA-N 451.622 1.762 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(Br)cn2)CCO1 1722841084 BMROZYHEUKUOOJ-LJQANCHMSA-N 499.373 1.817 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@@](C)=O)CC1 1740550601 QXALSNPFEWIHDO-ADKURLETSA-N 451.593 1.956 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1740619980 BGAWIWHNMDUMNX-GOSISDBHSA-N 470.555 1.371 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(NC(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1740621882 PSGQZFAPLNKPGT-SFHVURJKSA-N 465.539 1.506 30 10 JDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740643939 PRWDZSZJMIUFNW-LJQANCHMSA-N 452.540 1.083 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOCCS(C)(=O)=O 1740658479 AZIULSPXSPSGGK-RTBURBONSA-N 450.605 1.721 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3F)n2C[C@H]2COCCO2)n1 1740688109 QSTGKJFYJDRJLV-IBGZPJMESA-N 454.506 1.982 30 10 JDEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC[S@@](=O)CC)CC1 1740699222 YJHJWPCIBAKBIK-UMSFTDKQSA-N 483.686 1.167 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCCn2ccnc2C)CC1 1740700952 OOPFCYXIPICWKH-UHFFFAOYSA-N 454.579 1.367 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC(=O)N(C)CC)CC1 1740707297 XEOWANUJLNSICJ-UHFFFAOYSA-N 452.559 1.322 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1740708465 QOXMVJHLRNYHBL-OFNKIYASSA-N 470.618 1.818 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1c(C)nn(C)c1C 1740795446 VFDSDJMKFGLVSD-LJQANCHMSA-N 481.623 1.190 30 10 JDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCCS1(=O)=O 1740928678 QLLBGRYVNCIRTO-UHFFFAOYSA-N 455.548 1.135 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1740993290 WHBFDCYQMCFDJK-MAUKXSAKSA-N 450.634 1.908 30 10 JDEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(C#N)o3)C[C@H]2C)CC1 1741038298 QNUPEEJGIKWOSP-DYESRHJHSA-N 482.589 1.308 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1748656054 KMLSQQDIQHZZPA-QAPCUYQASA-N 475.479 1.642 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OC)c(O)c1)[C@H]1CCS(=O)(=O)C1 1748812650 YPTSKKOFWHSWRA-KRWDZBQOSA-N 453.524 1.729 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(C)ccc2OC(F)F)CC1 1748972451 JYIKWOPJTQNQMW-MRXNPFEDSA-N 482.557 1.602 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCOC)CC1 1749001241 NCOWYFUFRNIQOZ-UHFFFAOYSA-N 458.950 1.474 30 10 JDEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1749358127 FGIJAXRUCDQWSL-UHFFFAOYSA-N 467.574 1.450 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1749678180 YKRBSZJVUHOMKV-LEWJYISDSA-N 468.602 1.933 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1749731552 HFFJCXNDCNODDX-NHCUHLMSSA-N 480.679 1.725 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1749799181 KADXMWNRKCHOTR-XYBFOJCUSA-N 471.562 1.351 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)CCO1 1750012972 DLQBRWNCNJSKSW-LJQANCHMSA-N 454.922 1.708 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)CC)c1 1760128399 HCACSNJRWGCILG-GOSISDBHSA-N 459.572 1.663 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccco1)N(CC)CC 1760176110 ZBVGSQKTWMJCQG-MJGOQNOKSA-N 464.592 1.357 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1760187707 LMWSAKPBYCBUHG-ZWKOTPCHSA-N 462.547 1.799 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1760227140 WBBYYAVOWNPAAX-XUTLUUPISA-N 468.539 1.335 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1760281965 SSHJBHJLEAYZLP-SFHVURJKSA-N 480.660 1.275 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C(C)C)CC1 1760321634 IREKPUMYQWWORL-NSHGMRRFSA-N 479.647 1.902 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1Cc1cccs1 1760522078 LMBGYBQQYZURAS-WMZOPIPTSA-N 494.643 1.186 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1760527109 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482.412 1.253 30 10 JDEE CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282861035 JOUAIUYIUYWGRX-FQEVSTJZSA-N 487.432 1.332 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H](COCc2ccccc2)CC(=O)O)n1 2284410793 DTDPRPKCOOOVDA-MRXNPFEDSA-N 479.364 1.058 30 10 JDEE CC(C)(C)OC(=O)NC1([C@@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CCOCC1 2318898959 DRXUGIOLHSGSDF-IAGOWNOFSA-N 453.584 1.832 30 10 JDEE NC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1cccc(O)c1 2325918342 CZKMEAYTACGDHR-QGZVFWFLSA-N 450.524 1.959 30 10 JDEE CCOc1c(Br)cc(C=Nn2c(CNC(C)=O)nnc2SCC(N)=O)cc1OC 2330743620 DJUWPMDCURHGOF-UHFFFAOYSA-N 485.364 1.544 30 10 JDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cc(OC)c(OC)c(OC)c1 2330796625 QQYYKLVTTAKJCU-UHFFFAOYSA-N 465.532 1.868 30 10 JDEE C#CCNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1Cl 29380698 ROYOWNNACKDTDA-ZDUSSCGKSA-N 498.966 1.839 30 10 JDEE CC(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)cc1 59887832 YXSRJVXPGVWBLT-UFFVCSGVSA-N 456.532 1.990 30 10 JDEE O=C1C(=O)N(CCOCCO)[C@H](c2cccc([N+](=O)[O-])c2)/C1=C(/O)c1cccc([N+](=O)[O-])c1 103125126 BDEGIQXIQSNCKW-LYHOESIGSA-N 457.395 1.934 30 10 JDEE COC(=O)[C@@H]1C(=O)/C(=C\NC[C@H](C)N/C=C2\C(=O)CC(C)(C)[C@H](C(=O)OC)C2=O)C(=O)CC1(C)C 104036222 ALRYJPRJFPKDTE-LPJZFTMOSA-N 490.553 1.037 30 10 JDEE N#Cc1ccccc1[C@@H]1N[C@](CO)(C(=O)O)[C@@H]2C(=O)N(Cc3cccc4ccccc34)C(=O)[C@H]12 247640533 GXSIZPSHAADNFG-YGWSKSRPSA-N 455.470 1.973 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N[C@H]3CCCC[C@H]3C)c2)CC1 512718919 VSEUHJHQCACOTC-QUCCMNQESA-N 492.642 1.612 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1C[C@H]1CCCO1 590915615 NNIQEXTVGKPINC-OAHLLOKOSA-N 487.965 1.319 30 10 JDEE Cc1cc(C)cc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnn4ccccc34)c2=O)c1 729668270 FEDHDMIJYCXUSG-UHFFFAOYSA-N 485.569 1.525 30 10 JDEE COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 744990458 HYBIZCHKLHNDJL-OPAMFIHVSA-N 470.507 1.364 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)c1 1136750315 RPYUAGTYRFLGFT-UHFFFAOYSA-N 459.612 1.938 30 10 JDEE N#C[C@@H]1CN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)CCN1Cc1ccccc1 1146352864 HBECKIWUXITLHU-MQSCRBSSSA-N 450.514 1.567 30 10 JDEE C#CC1(O)CCN(C(=O)CS[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 1167530732 CZDIXGTWFLPAOE-KRWDZBQOSA-N 456.568 1.531 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C(=O)N(C)C)c1 1286294887 GIILBEVHFUBTMB-PXNSSMCTSA-N 488.614 1.013 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1286381252 FSTOLFQFWZUZNT-NHCUHLMSSA-N 452.584 1.928 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286393083 ONTYWSXNJIQSKD-FQEVSTJZSA-N 470.599 1.293 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286396870 WVCFYKRIYPFYIT-SJLPKXTDSA-N 496.586 1.003 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)N2CCOCC2)CC1 1286484547 MDWVJTTXSNZLFY-QFIPXVFZSA-N 452.603 1.950 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)c(OC)c2)CC1 1286485061 BWFRCPNJLRADHB-UHFFFAOYSA-N 480.569 1.545 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286668168 PXDFTLDUVYVTTI-MRXNPFEDSA-N 490.634 1.311 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@@]3(CCO[C@@H]3C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286793970 QZOOYWWTUCURLI-SXTKOZQMSA-N 490.605 1.735 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1286817673 XIKBKJPIEWBSSV-QGZVFWFLSA-N 481.022 1.753 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1286832508 LTONEMBWOHODMX-ZWKOTPCHSA-N 467.661 1.842 30 10 JDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1286865612 KDWVSWZAPQSJDZ-LSDHQDQOSA-N 464.530 1.234 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1300381139 OTWHJQIATDVTCO-SUMWQHHRSA-N 451.515 1.831 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1300384421 PASIHIKMIVFBMB-OAHLLOKOSA-N 453.638 1.305 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1300391242 KOMPLIRADJSCQH-AUSIDOKSSA-N 498.653 1.751 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1300481718 BSHQDLRAFNMTLJ-FPOVZHCZSA-N 485.610 1.839 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1300501668 MVSYTNMDBRRQMJ-IBGZPJMESA-N 464.636 1.146 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)N1CCN(CC)CC1 1300532377 UHSQJRAKPRDGRQ-IBGZPJMESA-N 458.570 1.693 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1300680402 AKPPMAVYWMTIMS-UHFFFAOYSA-N 468.558 1.343 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1301065631 HXFPYPGXRFVTHL-MRXNPFEDSA-N 467.617 1.638 30 10 JDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1301429293 SDKLGIAQZDLYHM-UHFFFAOYSA-N 460.542 1.550 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2Cl)CC1 1301481001 HOAIBQPTSLSJIR-OAHLLOKOSA-N 482.010 1.171 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CC(=O)N(C)C[C@@H]1C 1301577148 KOEYTTNDAGCBQB-INIZCTEOSA-N 454.556 1.761 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1301579161 OUQUWUVYFBAABB-HNNXBMFYSA-N 463.564 1.439 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1358889748 FZHXOGOWQWUMBT-AZUAARDMSA-N 471.631 1.223 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(COC)CC1 1358913510 PKFXWDXGRVMVHP-SFHVURJKSA-N 453.609 1.667 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358966400 OMUGOTMHXIEFJN-LEWJYISDSA-N 490.674 1.539 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1358966987 AYZUFJQHADSHAL-LJQANCHMSA-N 483.598 1.760 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NC 1358979832 YZDZPQMFTAHYPH-KRWDZBQOSA-N 458.563 1.432 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2snnc2C)CC1 1359040239 MVRVMBNQPDEISV-UHFFFAOYSA-N 458.592 1.371 30 10 JDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1359056479 GEPVSYYGMCWQCJ-ROUUACIJSA-N 453.634 1.543 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1359132487 YOVIOMFTBOMNEB-INIZCTEOSA-N 495.631 1.098 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2nccs2)C1 1359150664 DCVFREOMERTBAO-UONOGXRCSA-N 474.996 1.398 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1359215694 HLSCWEVQEFWXRS-LJQANCHMSA-N 486.602 1.170 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1359227687 IKTDZCDICZAKTD-AEFFLSMTSA-N 492.598 1.844 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1359329061 XPOAHJKLPVPFBB-JTSKRJEESA-N 457.556 1.802 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCN2CCOC[C@@H]2C1 1359334560 JTWRKRHFPYXJBE-IBGZPJMESA-N 461.588 1.021 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CC(=O)N(C)[C@H](C)C1 1359334949 VRYBNTGDKFVBGW-QGZVFWFLSA-N 456.572 1.549 30 10 JDEE Cc1cc2[nH]nc(NC(=O)[C@H](CC(C)C)/N=C3/NS(=O)(=O)c4ccccc43)c2c(=O)n1C 1452038440 BCUIXLIPVXKFMN-HNNXBMFYSA-N 456.528 1.662 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCO[C@H](CNC(=O)OC(C)(C)C)C2)c1 1475369357 ZIOPWLGIUYTFHV-QGZVFWFLSA-N 453.561 1.907 30 10 JDEE Cc1nccnc1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1492714095 CVCPKROAIZBLOV-KRWDZBQOSA-N 496.597 1.540 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1507587974 CGLUDCMFZNURNY-LJQANCHMSA-N 459.620 1.266 30 10 JDEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1507596007 YLSXNGNXIYUZKN-KRWDZBQOSA-N 462.348 1.984 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1507631529 FGPNUGXROKLYKC-MSOLQXFVSA-N 480.587 1.189 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507633215 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C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1539132339 IVDCIPVIEHEFOA-AZUAARDMSA-N 483.642 1.672 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539202338 GWSHPVBDADSJQU-FUHWJXTLSA-N 471.587 1.035 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1539220151 QCWZCAOXXJQUOP-ZWKOTPCHSA-N 494.564 1.969 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncccc2N(C)C)CC1 1539460071 VAAAQJPFZWDFCN-UHFFFAOYSA-N 456.554 1.993 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(C(N)=O)CCCC2)CC1 1539468625 GRDPQTGVYQRNAD-RUZDIDTESA-N 486.617 1.330 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@H](OC)C(F)(F)F)CC1 1539489826 OSOPRPDOQCNMGJ-BZSNNMDCSA-N 487.523 1.935 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1539642934 SSAWDXQYSGMNQU-AVRDEDQJSA-N 473.578 1.853 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1540870735 VOZILVVLXGPBKP-FQEVSTJZSA-N 456.595 1.619 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1540871833 VCCLMCIRUWTEGU-FQEVSTJZSA-N 481.601 1.462 30 10 JDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)OCC)CC1 1540874124 VZCCPDQXVUIDKE-UHFFFAOYSA-N 451.531 1.862 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1540874330 CFZOVXHMSPCMOC-UHFFFAOYSA-N 452.559 1.963 30 10 JDEE CCN(CC)C(=O)CCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1547410348 ABIUABHXOOTTDH-MOPGFXCFSA-N 481.605 1.807 30 10 JDEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)nn2)C1 1565718190 AZXWHRPZTUPZRL-GOSISDBHSA-N 451.531 1.920 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CCNC(=O)c1cc[nH]n1 1588104851 ATQGZMACEXQMBJ-UHFFFAOYSA-N 452.316 1.934 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1588174159 QZPYFHQEJTVHIA-QIJZPMMNSA-N 476.581 1.467 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1C 1588233973 XNHYPGUXDBKIAZ-JOCHJYFZSA-N 469.611 1.933 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1588309718 AZSAFOMUMPYASU-UHFFFAOYSA-N 477.569 1.978 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(F)c(Cl)c2)CC1 1588741590 FLYSZZDBAHJHEY-AWEZNQCLSA-N 454.959 1.484 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1588884446 ARBKWAMLGZKJCP-DFBJGRDBSA-N 471.650 1.893 30 10 JDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1589047951 OJLGDXAJMGWBJK-QGZVFWFLSA-N 464.617 1.270 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1589543914 CTASRDXOLXEBHF-AABGKKOBSA-N 478.619 1.722 30 10 JDEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C(N)=O)CC1 1594807434 OUALKOPUAKKYTR-UHFFFAOYSA-N 465.558 1.969 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](OC)C(C)(C)C1 1595537728 XEIFESMIIBSXMR-SFHVURJKSA-N 465.558 1.838 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](OC)C(C)(C)C1 1595550279 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C=C(C)Cn1c(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1690296804 OZRKJFVCYAIZPU-XMMPIXPASA-N 474.606 1.447 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)c2ccco2)CC1 1690375849 VTAHTMJLGLSZBF-UZLBHIALSA-N 451.549 1.268 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)c1cccc(C)c1)C1CC1 1690545812 ZDPQXULEVQAVQB-HXUWFJFHSA-N 488.614 1.504 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1690671043 NYQQSQFUERNRQD-LJQANCHMSA-N 482.585 1.835 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCNC(=O)C1 1690720052 YTZBWIKTFJVDOU-UHFFFAOYSA-N 471.539 1.654 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1705559625 AAAMYRFAIJVCIS-QUCCMNQESA-N 460.556 1.386 30 10 JDEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1705566169 LVGDPAGMPWOTHU-UZUQRXQVSA-N 471.583 1.841 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1705570181 KYXFZSFTYDSZPJ-FQEVSTJZSA-N 457.600 1.600 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)N(C)Cc1ccccc1 1705589353 PNDDHLHLDVGSKM-GOSISDBHSA-N 456.572 1.010 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)C1 1705659083 KXQFSXWTYRFMMT-UHFFFAOYSA-N 479.610 1.863 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705937300 PLKBCXSNIVJZPD-INIZCTEOSA-N 473.646 1.248 30 10 JDEE CCNC(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)c1 1710326767 FCTJGLDANZZKLE-DYESRHJHSA-N 460.535 1.420 30 10 JDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)C1 1712688846 FCLPSGGYGHNRIN-LEWJYISDSA-N 472.615 1.677 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC(=O)N(CCOC)C1 1722413391 MSZWKAPKNPZIFK-OALUTQOASA-N 490.605 1.541 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(OC)CCOC1 1722423370 ZVTDKDPBZHRMBM-GCJKJVERSA-N 462.547 1.765 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCCS2)CC1 1722434402 QPQXBLSKACZORW-IBGZPJMESA-N 474.656 1.846 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(N3CCOCC3)CCCCC2)CC1 1722441437 QEXSRWNCJIPPHS-UHFFFAOYSA-N 499.660 1.417 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCNS(C)(=O)=O 1722466255 NLZHRCDKEDQUEK-OAQYLSRUSA-N 479.006 1.793 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSC2(CCOCC2)C1 1722529647 YDHQJAPMFNKJIW-MRXNPFEDSA-N 459.638 1.583 30 10 JDEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722535077 YNICMKYIHKVYNO-KRWDZBQOSA-N 486.598 1.891 30 10 JDEE CCN(CCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(C#N)c1)S(C)(=O)=O 1728491940 CDUARFRXYHIPPS-UHFFFAOYSA-N 473.603 1.694 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)CC(F)(F)F)CC1 1728664411 GMSIAFDYAVJZDM-UHFFFAOYSA-N 492.550 1.959 30 10 JDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)CN(C)C)CC1 1729733495 HZRGSDDLMZUVPR-UHFFFAOYSA-N 454.579 1.778 30 10 JDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)C[C@@H]1C 1730788221 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C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1740690660 YWHVKAJXHQRXSI-XMMPIXPASA-N 463.517 1.727 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccccc2Cl)N(C)C)CC1 1740694605 OBTSVMICHCIHHU-WOJBJXKFSA-N 455.994 1.941 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1740705744 LOCGBEZZHYQOBC-AJYBTWMASA-N 477.631 1.350 30 10 JDEE C#CCSCCn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1740723103 PBAYZNADRSDMBD-FCHUYYIVSA-N 476.603 1.111 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1740833957 ZVYYVBWHQOPMSP-HKUYNNGSSA-N 481.667 1.233 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCN(C)C2=O)CC1 1740850229 DJVXRTOWEAQAHT-GOSISDBHSA-N 494.662 1.662 30 10 JDEE COc1ccc(C2(Cn3c([C@H](C)NS(C)(=O)=O)nnc3N3CCO[C@H](C#N)C3)CCC2)cc1 1748601021 GGXMXLNYAHMJQN-QFBILLFUSA-N 474.587 1.748 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1748734910 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1760128796 SOQQSPCWQRITBP-GOSISDBHSA-N 473.599 1.909 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC(C)C)CC1 1760137413 JPFMTDGVABQSOP-LJQANCHMSA-N 453.609 1.808 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCN1CCOCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760185720 BWUXORIEORKYNH-GOSISDBHSA-N 451.637 1.604 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1760186413 CLXOVROGJSIQTK-VXKWHMMOSA-N 471.627 1.931 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1760188473 AKJRYMYGPXUDLW-MRXNPFEDSA-N 473.509 1.667 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1760268936 RTYOVMAMJFCCFP-UHFFFAOYSA-N 456.572 1.011 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC2(O)CC(OCC)C2)CC1 1760271472 YXZQVLOCYLIDOB-UHFFFAOYSA-N 465.598 1.959 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](C)C1 1760321164 CERMTHOAQMYPRO-MKXGPGLRSA-N 469.608 1.207 30 10 JDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1760439149 XDCXRBNUIWZWSF-LJQANCHMSA-N 458.588 1.847 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1760445456 KIEHFRVBTNCPKI-UHFFFAOYSA-N 459.595 1.833 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(C3CCC3)C[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1760558324 MCSLMYVGFCQHHP-AUSIDOKSSA-N 481.663 1.842 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@H](C(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1760558664 WTYQJQNGXKLMBL-MPGHIAIKSA-N 482.525 1.687 30 10 JDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CO)CC1 1766848058 BMJPGHNMQAZQGO-QFIPXVFZSA-N 465.602 1.968 30 10 JDEE CNC(=O)C(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1767556969 BDSQQRWSKUTFGC-QGZVFWFLSA-N 474.573 1.413 30 10 JDEE NC(=O)C1CCN(C(=O)[C@H](Cc2ccc(F)cc2)N=C2NS(=O)(=O)c3ccccc32)CC1 1869929603 JQQHFSWRIDBJTM-SFHVURJKSA-N 458.515 1.199 30 10 JDEE CC(=O)NCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870349789 DIPCZIQCMTXJBL-UHFFFAOYSA-N 451.527 1.132 30 10 JDEE C/C(=C/CO)CCC1=C(CO)C[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@](C)(C=O)CCC[C@@]12C 2112807364 WJZSSEIUMCZCIA-FKXLZDDOSA-N 468.587 1.234 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2206613953 ZROZKSWDYRBZFL-OAHLLOKOSA-N 481.380 1.353 30 10 JDEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2255638804 PWFJOBKJIDTVDF-UHFFFAOYSA-N 453.370 1.590 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1CCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255931629 OBKRJKWHKDQMTE-OAHLLOKOSA-N 453.370 1.669 30 10 JDEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267128485 RMIVUVWANPPSFE-GJZGRUSLSA-N 466.413 1.800 30 10 JDEE Cc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)oc1B1OC(C)(C)C(C)(C)O1 2267130501 OVRYKQZHFJMAOP-HUUCEWRRSA-N 450.341 1.987 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H](F)CN(C(=O)OC(C)(C)C)C1 2267167311 DPVJYGQBDUBMSX-KBPBESRZSA-N 452.336 1.797 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2267565284 YPPDSAOZUTYGER-UHFFFAOYSA-N 469.369 1.337 30 10 JDEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)[C@@H]2[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)C1 2268782401 KYGQZNKVNPFKMK-IXDOHACOSA-N 452.357 1.508 30 10 JDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2281827919 CKOMFWVYKMNUHT-DLBZAZTESA-N 462.352 1.704 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@H]1CN(CCO)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2281925913 IPUYAQAIRGDCNG-HNNXBMFYSA-N 464.372 1.543 30 10 JDEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 2281951113 GCNHNQWVPIEBBA-HNNXBMFYSA-N 463.388 1.976 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCN(C[C@@H](C)O)C(=O)OC(C)(C)C 2281976249 YUNHNVYLPABGSK-OAHLLOKOSA-N 466.388 1.550 30 10 JDEE Cc1c(C(=O)NCCN(C[C@H](C)O)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281987883 FFPNCWHQCLCDJH-AWEZNQCLSA-N 466.388 1.375 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@H]1CN(CCO)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2281989988 HKFMGPYAIKIZFD-HNNXBMFYSA-N 464.372 1.543 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CC1 2281993575 DCNPVLWCGYGGGU-UHFFFAOYSA-N 480.396 1.251 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 2282006165 TYVVBESHQLLBHN-HNNXBMFYSA-N 464.372 1.393 30 10 JDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282329676 PXOAYRPMGBLQTN-OAHLLOKOSA-N 484.428 1.597 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 2282582787 ZIXNLQZZXLJGDZ-XMMPIXPASA-N 454.380 1.395 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H](O)C1 2282860580 CPWLJCQPWKJIDL-QZTJIDSGSA-N 482.408 1.634 30 10 JDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282867839 FDZNDDSOGFYQFQ-DLBZAZTESA-N 483.396 1.293 30 10 JDEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3nncs3)n2N)cc(OC)c1OC 20919591 CCPYQIXAHHZYJB-NGYBGAFCSA-N 465.521 1.046 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)NCCOc2ccc(Cl)cc2)CC1 31294881 LSJJWPASZYZRGM-UHFFFAOYSA-N 462.959 1.713 30 10 JDEE C=CCn1c(=O)c(=O)n(Cc2ccc(C(=O)NCCN3CCN(C)CC3)cc2)c2ccccc21 33272782 NUKIVKTZGPCZFM-UHFFFAOYSA-N 461.566 1.375 30 10 JDEE C#C[C@@]1(O)CC[C@@H]2[C@H]3CCc4cc(O[C@@H]5O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]5O)ccc4[C@@H]3CC[C@]21C 253590260 DYBBEZHAELJFKW-FDEYQFBWSA-N 472.534 1.178 30 10 JDEE C=C[C@H](O)C#CC#CC[C@@H]1O[C@@H]1CCCCC[C@H](O)[C@H](O)CNC(=O)/C=C/c1ccc(O)c(O)c1 257371707 XTBIGWUJSMQMKL-RENVFPLOSA-N 483.561 1.611 30 10 JDEE biogenic CCN1CCN(C(=O)C(/C=C2/C(=O)ONN2c2ccc(OC)cc2)=NC(=O)c2ccccc2)CC1 585673926 ZGQPIYAYEGEIBR-XRGXFIGPSA-N 477.521 1.807 30 10 JDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(Cl)cc1 729668249 DAYOXSUBIAYOMA-OAHLLOKOSA-N 493.976 1.854 30 10 JDEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1cccc(C(F)(F)F)c1 729672601 WVYPLAGIFPXUSS-UHFFFAOYSA-N 483.475 1.874 30 10 JDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)OCC)cc1Br 917925657 JPTHAVUBEMYPJT-CYBMUJFWSA-N 464.359 1.437 30 10 JDEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3ccc(C(=O)OC)cc3)n[nH]2)cn1 1084632467 ZESQROJRJYQTFK-UHFFFAOYSA-N 458.504 1.611 30 10 JDEE Nn1c(NN=Cc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 1084654742 HDYHFJDQYYNREP-UHFFFAOYSA-N 457.432 1.985 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H](C)N2CCN(CC)CC2)c1 1286310143 BRBKNDDYXBDLJU-RBBKRZOGSA-N 479.629 1.864 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(OC)CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1286389622 NOWFJFVBDMMWEQ-DKTYTTGXSA-N 458.588 1.957 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1286395167 LMBBEWPXJFPQBK-CYFREDJKSA-N 495.561 1.856 30 10 JDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(N2CCOCC2)CCSC1 1286415075 HKWOHZWGYADABF-HSZRJFAPSA-N 453.616 1.420 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@](C)(O)CCOC)CC1 1286470003 QBSQQBPNEZTVAK-QHCPKHFHSA-N 474.993 1.404 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)N1CCOCC1 1286470566 ZWYNBNWEHXCINF-SLFFLAALSA-N 476.622 1.856 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCCNS(C)(=O)=O)CC1 1286473550 PKFJMAYJKRVWLN-UHFFFAOYSA-N 476.672 1.970 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1286484802 OVKBKRVIJPLPQF-UHFFFAOYSA-N 495.653 1.900 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCCC[C@H]2C)CC1 1286490489 MAIOJCJRFJADEY-UYAOXDASSA-N 455.607 1.460 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1286510075 ZZNRSOLWGKEENO-HLIPFELVSA-N 454.618 1.321 30 10 JDEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286769705 MMMFEQFBTNMNCU-UHFFFAOYSA-N 456.503 1.678 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(CCOC)C(=O)C1 1286784871 WOUPZDSCEUOIEX-UHFFFAOYSA-N 477.363 1.305 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CCOCC2)CC1 1286820206 HAKUYJNGEUTVCQ-IBGZPJMESA-N 453.609 1.422 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286822508 DYPJQEGZWOLZQM-HNNXBMFYSA-N 450.590 1.858 30 10 JDEE COc1ccc(C)cc1CN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 1290264843 GNVDJPIMVFTDMK-SFHVURJKSA-N 456.568 1.887 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(OCCC)c1 1300464305 AIJPZIYHWNRGMI-FQEVSTJZSA-N 461.588 1.712 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccsc1Br)[C@H]1CCS(=O)(=O)C1 1300491889 JLUITGIIBWOPTL-UONOGXRCSA-N 498.428 1.728 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc2c(c1)OCO2 1300577925 FPMAKERQCKYLNZ-QGZVFWFLSA-N 456.524 1.451 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@]1(O)CCS(=O)(=O)C1 1300657637 ZIRNZQJETWNAKX-ZHRRBRCNSA-N 478.640 1.767 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)cc1)N(C)C 1300671255 GIWHWEKUVAXPBY-NHCUHLMSSA-N 459.616 1.878 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccnc(OC(F)F)c2)CC1 1300682601 PGMLHTRRQTVFRU-UHFFFAOYSA-N 461.517 1.996 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCN2CCN(CC)CC2)CC1 1300689466 VOXAXONIMBUMQG-UHFFFAOYSA-N 451.619 1.737 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1300890412 GMLVYRIOMZDCHH-TZIWHRDSSA-N 477.635 1.593 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1301085621 OJXXJBAULJMSAU-GOSISDBHSA-N 464.613 1.983 30 10 JDEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301185458 DNAPGRZXOYPDTH-VQIMIIECSA-N 466.542 1.909 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1301223013 LERIOXDKDKLRFQ-ROUUACIJSA-N 469.608 1.352 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCS(=O)(=O)C1 1301354679 GPJQSFNVXIGYTD-JOCHJYFZSA-N 477.562 1.282 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1301500253 KKYCQLPVWCTMJI-IBGZPJMESA-N 467.574 1.235 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2Cl)CC1 1301584789 DPTCBAIIDGSGNQ-KRWDZBQOSA-N 479.006 1.810 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(F)cn2)CC1 1301596062 GKTPEDKYPBRSHR-PXNSSMCTSA-N 494.593 1.464 30 10 JDEE CC(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1303311629 FVPWGFGJXQYBFY-UHFFFAOYSA-N 458.588 1.287 30 10 JDEE C#Cc1cccc(N(C)CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)c1 1307458815 VVEBVMKUFAPDIU-UHFFFAOYSA-N 457.552 1.654 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCN1CCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1358959002 ZTGTXBSMKYTEPC-GOSISDBHSA-N 498.030 1.261 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1358964388 YJYIVZRFXHFSGH-PMACEKPBSA-N 471.583 1.159 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1358967231 GIPWCOHJYXFRIH-QFIPXVFZSA-N 459.598 1.798 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1358995766 FCFFFCYEBLAPJJ-UHFFFAOYSA-N 475.578 1.360 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCOCC1 1359010376 NRRMHCWHZMLIJA-KRWDZBQOSA-N 476.578 1.328 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2)C1 1359057672 GAMMKPJVBULBCO-UXHICEINSA-N 491.639 1.555 30 10 JDEE C#CCSCCn1c(COCC)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1359062205 ZEIBQDDJOVJALL-UHFFFAOYSA-N 468.627 1.892 30 10 JDEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359123555 UXXYQMNPLFZXTJ-QHCPKHFHSA-N 467.618 1.560 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359293560 TYPORWZIIPGKIS-ICSRJNTNSA-N 499.591 1.602 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1359294532 WTEIBPKWLSBCLF-IBGZPJMESA-N 498.613 1.701 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1359304315 VANHDAWRVOAPAV-UHFFFAOYSA-N 483.548 1.241 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ccnc(C)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359305357 AZUWUBFASQDAOQ-HSZRJFAPSA-N 470.578 1.046 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1359329017 VOKKPUYYJTYLPD-LJQANCHMSA-N 456.572 1.913 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359333432 XNJNOFBONRGJDP-OAHLLOKOSA-N 488.582 1.761 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn(C)nc1-c1ccccc1 1360475511 BHYYDYYJSJCTBU-XLIONFOSSA-N 498.613 1.798 30 10 JDEE COC(=O)C1(C#N)CCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)CC1 1467990955 GTDAXGPUCHARLX-UHFFFAOYSA-N 450.336 1.094 30 10 JDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C[C@H]1OC 1505118665 IARKQOVXMZYGIN-KDURUIRLSA-N 454.531 1.624 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)c(OC)c1 1507617157 RKMJKMGMYGPNGF-KRWDZBQOSA-N 453.952 1.391 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C2CC2)CCC1)[C@H]1CCS(=O)(=O)C1 1507621775 CGNYEPRFEWKPAP-WBVHZDCISA-N 469.633 1.095 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1507629202 KQILPTHCAUJZHA-HNNXBMFYSA-N 471.004 1.660 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507633142 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C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)CN1CCOCC1 1539306951 OBRPOWKYMNRWDA-HXUWFJFHSA-N 459.558 1.352 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)CC 1539325136 CIIFUYDYSKIKON-GOSISDBHSA-N 458.563 1.528 30 10 JDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1(SC)CCN(C)CC1 1539408845 FOOGFOFAALNUSV-UHFFFAOYSA-N 460.604 1.919 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCNC(=O)C(C)C)CC1 1539470108 YDEVKDFHICRQQI-XMMPIXPASA-N 474.606 1.057 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1539491452 QUXLFRCGHHZQOQ-UHFFFAOYSA-N 458.563 1.771 30 10 JDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1540858132 IBEMTAZVPHRBQQ-OAHLLOKOSA-N 468.027 1.638 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1540897191 CRMYVGHMVPHOEQ-WBVHZDCISA-N 495.005 1.886 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCn2nc(C)nc2C1 1540907235 PIEVGILITPWPEG-UHFFFAOYSA-N 455.588 1.974 30 10 JDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCNS(=O)(=O)CC 1545545913 GYWCTMDBCIMXKX-JKSUJKDBSA-N 461.596 1.108 30 10 JDEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)CNC(C)=O)CC2 1548377229 FYBFZHOKRAWRCK-SFHVURJKSA-N 465.476 1.504 30 10 JDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCN2S(C)(=O)=O)cc1 1554978725 DQZKUSMXTYLOAI-VQIMIIECSA-N 476.559 1.018 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCCNS(C)(=O)=O)c1 1587690117 ZWEIPCKDTRUYJI-UHFFFAOYSA-N 481.582 1.644 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1588046205 ZRKIJTGHNQKLQA-FGZHOGPDSA-N 482.610 1.290 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1588075025 VQIMKUYWCQGZEF-WJFTUGDTSA-N 466.604 1.239 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588078559 INUQVUVGZPCTBD-ICSRJNTNSA-N 474.631 1.474 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1588084693 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SYBCBYMGHLCATE-UXHICEINSA-N 470.622 1.427 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCNC(=O)C(C)C)C1 1595688705 MXPKNYDZHCEMDQ-SFHVURJKSA-N 461.588 1.902 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1595884295 JLUJTHRVUJWTRW-XLIONFOSSA-N 455.650 1.400 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)C1 1595975987 AQTOEBWNEKEMKN-FQEVSTJZSA-N 470.599 1.946 30 10 JDEE C=C(C)Cn1c(SCC(=O)N2CCC(CNS(C)(=O)=O)CC2)nnc1-c1ccco1 1627287452 ODZFCEXBKCPGJI-UHFFFAOYSA-N 453.590 1.994 30 10 JDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 1635873732 MFRHWWPUJZKBQV-OAHLLOKOSA-N 453.989 1.533 30 10 JDEE C=CCC1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)CC1 1666432638 XIINRMCSXFBNDV-INIZCTEOSA-N 457.574 1.087 30 10 JDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1684425536 NHJSPQXORIAFGU-SFHVURJKSA-N 451.545 1.308 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 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C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1690510259 YHSOKYAXTGJOQH-NRFANRHFSA-N 453.591 1.599 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1690746875 LVJVINXTLDYFHN-LEWJYISDSA-N 491.683 1.955 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1705524574 OZEGNFZAVGOSPU-QGZVFWFLSA-N 476.607 1.207 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1705560775 NGUIOAQESADWJM-SFHVURJKSA-N 494.581 1.061 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1705564673 CEJIOVMCQIMYOD-KGVIQGDOSA-N 492.001 1.417 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705565585 HTPUYJIFESHEFK-ROUUACIJSA-N 462.620 1.120 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@@H]2CC(F)(F)CO2)n1 1705631337 AWAOILWYZHZYSQ-WMZOPIPTSA-N 450.490 1.689 30 10 JDEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@H](CC)OC)CC1 1705641830 VSFGTWZKEDDMHU-DEOSSOPVSA-N 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464.618 1.948 30 10 JDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccccc1OC(C)C 1865728359 FCJJZGSGMCMUNN-SFHVURJKSA-N 466.538 1.766 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CCO1 2255659440 SCQSHEDAKGPMRR-ZDUSSCGKSA-N 453.370 1.808 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2255947588 BIHGJUSYMHLBIQ-UONOGXRCSA-N 474.410 1.306 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCCCCNC(=O)OC(C)(C)C 2267369284 UVQOURVZPASOBQ-UHFFFAOYSA-N 472.417 1.693 30 10 JDEE CCON(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C1CN(C(=O)OC(C)(C)C)C1 2267496567 BPGQSMKWXKWHIL-UHFFFAOYSA-N 450.345 1.732 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@H]2CCCN2Cc2ccccc2)n1 2267710581 XWORFEKUSKIJJO-GOSISDBHSA-N 460.409 1.662 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H]2COC[C@@H](C1)N2C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2281923050 AUQXMLOHKPCKQM-LSDHHAIUSA-N 462.356 1.559 30 10 JDEE 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C#CCN(c1nnc(CC(C)(C)C)n1CC1(CS(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1588058763 BXMFSPIAGQZBOD-MRXNPFEDSA-N 456.634 1.318 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(C)CN(C)C1=O 1588133606 IZUTZVHEYQOZJW-DEOSSOPVSA-N 454.575 1.944 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccn(-c2ccc(F)cc2)n1 1588140091 SZGRZIOXGHCMHP-GOSISDBHSA-N 466.542 1.821 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C(N)=O)nc1 1588229640 ZYRXAWNHQWIUMI-UHFFFAOYSA-N 469.553 1.457 30 10 JDEE C#CCSCCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1589125884 RNXNBOSXWMGPKH-GBXCKJPGSA-N 490.674 1.428 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCCNC2=O)CC1 1589482771 LCOCIOLZNHFOKF-MJGOQNOKSA-N 459.595 1.782 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)C1=O 1594196451 VOQKUJUWKWSCNS-QGZVFWFLSA-N 456.499 1.441 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(NC(C)=O)cc1 1594962212 JKPMRZYIRMAPSN-IBGZPJMESA-N 462.576 1.434 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1595545023 PQAVZVSAEANXBU-ZDUSSCGKSA-N 451.453 1.846 30 10 JDEE C=CCNC(=O)Cn1c(N2C[C@@H](COC)O[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595595829 ZXRYLGYERUZHDZ-BDXSIMOUSA-N 478.594 1.591 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CCN(C)C2=O)CC1 1595837777 DFWMSXUELMWDTB-ROUUACIJSA-N 481.619 1.052 30 10 JDEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1607955575 GWHFZBNNZBBHIG-UHFFFAOYSA-N 496.616 1.643 30 10 JDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCCc4nc(C#N)ccc43)cc2)CC1 1611547654 FLBZWMCBYQFFPF-UHFFFAOYSA-N 453.524 1.399 30 10 JDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOCC1 1612657376 GINIQMNRXORPIZ-SFHVURJKSA-N 453.547 1.118 30 10 JDEE CN(C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)C1)S(C)(=O)=O 1618100857 AYHKFBHXKZPVAC-LJQANCHMSA-N 497.629 1.686 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 1628651226 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NVRZBSQBGQRHLM-UHFFFAOYSA-N 465.558 1.843 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(CC(=O)NC(C)C)CC2)cc1 1690678346 SWXXSCVAHTVMTR-UHFFFAOYSA-N 495.628 1.774 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1690714007 BSFJAWFUOCVGDM-INIZCTEOSA-N 493.586 1.088 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(C)=O)CC1 1690718977 CVNZGSJJVVXRLG-UHFFFAOYSA-N 477.587 1.622 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H]1CCCOC1 1690724230 KQZLXQLYUOPPMQ-LJQANCHMSA-N 489.646 1.916 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCOC3(CCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690731958 SRKPFBNLGAYSOI-NRFANRHFSA-N 454.593 1.679 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccnc(N2CCCCC2)c1 1692798995 DMMRXYWTOQNDBR-FUHWJXTLSA-N 474.591 1.051 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCC(F)(F)F 1705475758 VBSLHYLTOZRJON-LBPRGKRZSA-N 456.856 1.998 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)N2CCOCC2)c1 1705505671 RGCOZHZSDCWWLK-YLJYHZDGSA-N 465.558 1.006 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1705567012 SIOOVSLQEJFHAL-SJORKVTESA-N 450.511 1.930 30 10 JDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1705609793 QTIAMWRGFPZXTF-LSDHQDQOSA-N 450.499 1.948 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2nc3c(s2)CCCC3)CC1 1705633364 PLNMFZWZHLMODU-KRWDZBQOSA-N 491.687 1.612 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H](C)SC)CC1 1705647339 FPFIWNIOBURTSF-INIZCTEOSA-N 479.610 1.909 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1705647879 NZDZJNQZBDYOES-TZIWHRDSSA-N 469.634 1.563 30 10 JDEE C#CCSCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1705664962 GUPIHIDQUVUEIH-JTSKRJEESA-N 476.603 1.158 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1705699030 BIFSNIGGIVYMIC-TXVWBRJLSA-N 481.663 1.707 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc2n1CCCCC2 1705716303 GMQBFZPDJNJYRB-QGZVFWFLSA-N 478.623 1.380 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(OC)ccc2OC)CC1 1705768885 CLXBFYGOJBYXQV-FQEVSTJZSA-N 477.587 1.833 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1705893787 GIETZQIMOPFVQQ-GOSISDBHSA-N 489.621 1.900 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](NC(=O)CC)C1 1705895331 BXDFWJYJJUIOSB-AWEZNQCLSA-N 464.368 1.833 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1705898797 XYXWCFBMLWXYGZ-XJKSGUPXSA-N 477.451 1.379 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705899449 STWKAQMKFBPWBH-LJQANCHMSA-N 455.538 1.129 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1705906130 TZRXXTFEYRKHQV-GOSISDBHSA-N 455.592 1.986 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1705907246 FNFZQZXTHNNUJW-UHFFFAOYSA-N 461.588 1.388 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1705936811 YVNSHBCWIRHKPW-PMACEKPBSA-N 467.636 1.669 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](OC)C1 1705936844 ZKGBWKBFAJGVLQ-LJQANCHMSA-N 475.619 1.668 30 10 JDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705942766 CSFGTISLFPUGNE-GOSISDBHSA-N 458.636 1.731 30 10 JDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1706633328 BMQXGCKJLFKVFS-NRFANRHFSA-N 478.601 1.474 30 10 JDEE C[C@H]1CN(CCN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)C[C@@H](C)O1 1708275463 DFTPRXCDGBANBW-UAKAABGRSA-N 454.575 1.902 30 10 JDEE CN(C)C(=O)COc1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)c1 1710990536 HQVGMTAQOVQYBZ-XMMPIXPASA-N 492.515 1.883 30 10 JDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1722335929 QOWNTGXPRYPMSV-SFHVURJKSA-N 455.588 1.696 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cn(CCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1722359922 XNKJLBVMXBUDAJ-FQEVSTJZSA-N 487.630 1.494 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 1722364783 AJHPMBPAAVWEJV-PMACEKPBSA-N 470.599 1.279 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC(C)C)N(C)C 1722475349 TVZIXPVFZXTQAK-XQBPLPMBSA-N 466.652 1.579 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNC(C)=O)C1 1722493261 XNQXKZLYOBFIRJ-AITUJVMLSA-N 468.624 1.222 30 10 JDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722523929 BNBCQYGJGJUARZ-OALUTQOASA-N 490.605 1.990 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(OC)cc1 1722641084 WQWOEERVAFIYFA-GOSISDBHSA-N 451.549 1.321 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COCc2ccccc2)C1 1722686125 VDNVEDXTGZVHFC-PMACEKPBSA-N 461.588 1.840 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1722724856 ICYKPJDTDONACN-HXUWFJFHSA-N 495.646 1.669 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2sccc2C1 1722728648 SRARHGCVQPDYCP-OAHLLOKOSA-N 456.615 1.405 30 10 JDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnc(C)s2)CC1 1729216215 BFHRJLOULQAKFT-UHFFFAOYSA-N 472.600 1.933 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccc(C(F)(F)F)n1 1740552481 OEGHEZQECLSGFH-ZIAGYGMSSA-N 487.508 1.120 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn(C)nc1-c1ccccc1 1740553034 QLGUUNSIYCZFKA-YLJYHZDGSA-N 483.598 1.518 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ncccc2F)c1 1740562711 MZYWZWMLNCPURJ-IBGZPJMESA-N 477.500 1.899 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740616061 RKFDQLQLORCLEE-MSOLQXFVSA-N 497.581 1.448 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC(F)F)OCO2 1740640393 MHONIWVLSNSQRY-AWEZNQCLSA-N 478.477 1.631 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2cccc(OC)c2)CC1 1740700905 MVLUVVXGRGAGGA-UHFFFAOYSA-N 464.570 1.731 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1740717266 NRUYVVFSQDZLBU-KSZLIROESA-N 485.676 1.617 30 10 JDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)N1CCSCC1 1740891250 WKIKTNSXXGPYIB-UHFFFAOYSA-N 499.062 1.862 30 10 JDEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(C#N)o3)C[C@@H]2C)CC1 1741038299 QNUPEEJGIKWOSP-LAUBAEHRSA-N 482.589 1.308 30 10 JDEE CCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)o1 1744456357 DTTVKHILMZALHT-IBGZPJMESA-N 465.514 1.587 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cn3ccccc3n2)CC1 1748731987 PSTMIJQIDUSEDN-GOSISDBHSA-N 470.603 1.272 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cn3ccccc3n2)CC1 1748731988 PSTMIJQIDUSEDN-SFHVURJKSA-N 470.603 1.272 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748802685 QYISKWNPJGEZAN-ZCNNSNEGSA-N 478.663 1.411 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1748804425 HODCLQMPOCKZAY-DYESRHJHSA-N 479.628 1.646 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1748808769 NERKFLFRQIBMHA-FXAWDEMLSA-N 478.018 1.946 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1748821335 PIVBMGWZFCQHDN-WWOZWPLTSA-N 460.625 1.601 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)COc1ccccc1OC 1748846444 GUWIOGUEXZIVHB-RBUKOAKNSA-N 456.568 1.977 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCCC1 1748965949 XOIRHXDQEJQIEW-GOSISDBHSA-N 469.608 1.046 30 10 JDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCCS1(=O)=O 1749597880 OXHXYLJENBKJPI-HNNXBMFYSA-N 451.549 1.612 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1749655403 JYKVTMPXKPRISH-UHFFFAOYSA-N 455.519 1.850 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1749664119 GPMSMOOHUPGEBL-IBGZPJMESA-N 483.592 1.909 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](c3ccnn3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749682221 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C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(C)cc2C1 1760515057 AGSGYNXDXJNOEL-OAHLLOKOSA-N 462.576 1.070 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760552976 HYSRXQSJTJQAEI-OAQYLSRUSA-N 461.544 1.585 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1760556212 WZVFKIFBZGLPTO-ADKRDUOOSA-N 452.602 1.757 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCCN(Cc3noc(C)n3)CC2)nnc1C(C)(C)C 1760558340 MLWXSRISNUKAKX-UHFFFAOYSA-N 451.597 1.580 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1760565816 FODZJAWSSMYVKP-KURKYZTESA-N 471.649 1.678 30 10 JDEE C[C@@H](N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CC1)C(F)(F)F 1761452747 BKDCZNVAILYOAF-OAHLLOKOSA-N 485.536 1.781 30 10 JDEE CC[C@@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1763903895 AATAIOZJJYIBGQ-UYAOXDASSA-N 486.646 1.504 30 10 JDEE CCC(CC)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1)OC 1764038586 DBNBPCPHQFOJTJ-LJQANCHMSA-N 456.547 1.885 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AAXTVEHJEMJYTC-SFHVURJKSA-N 477.564 1.848 30 10 JDEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCNS(C)(=O)=O 1286348581 XUHJVIHCOAEMTE-QGZVFWFLSA-N 468.624 1.791 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1286380383 BXHVWQBMTFROJJ-SRYPRDQNSA-N 478.615 1.538 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CCNC(=O)Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1286382369 AJHJBRONYIAFKG-IBGZPJMESA-N 461.563 1.526 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286392909 HYUYTMSWSYPTBR-KRWDZBQOSA-N 453.609 1.970 30 10 JDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(N)=O)C1 1286710441 WWFUROILCTVLDI-INIZCTEOSA-N 451.531 1.486 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ncccn2)CC1 1286821753 UGMMMNUMYCDXKA-UHFFFAOYSA-N 471.562 1.725 30 10 JDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N[C@H](C)CC)CC2)C1 1296958482 GVTIBOFNUSVPFS-XMCZHJCFSA-N 495.628 1.783 30 10 JDEE 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C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1301480752 DPZZVVLMEVMSIZ-QFIPXVFZSA-N 491.596 1.996 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](Cn3cc(C)cn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1301520645 KOHGSZZEEOBREX-XXBNENTESA-N 473.578 1.031 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1301567654 KSWLXMIALMHWNI-HNNXBMFYSA-N 455.606 1.847 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1301587361 UOEPYELDVCYDKM-JOCHJYFZSA-N 487.674 1.469 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)C[C@H]1C 1301927508 HXIHMBINVXWNCC-LJQANCHMSA-N 470.574 1.427 30 10 JDEE C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1cc(F)ccc1N1CCN(C)CC1 1306489972 HDUTVIRAMPNHBT-INIZCTEOSA-N 459.547 1.605 30 10 JDEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 1313957118 CZWJYQUTAKWHIF-OAQYLSRUSA-N 471.631 1.468 30 10 JDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1313995804 FVDHMXUMZVOWGS-FQEVSTJZSA-N 479.633 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C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1508146038 UBGMHGXKJBBZHZ-GOSISDBHSA-N 470.592 1.622 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](OC)C(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1508149458 VMNQQRMPQLJIEE-UWJYYQICSA-N 456.609 1.781 30 10 JDEE CN(C)C(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1516963598 DEQCDUOLCIBYKF-HXUWFJFHSA-N 464.574 1.291 30 10 JDEE CN(C)[C@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)CCSC1 1516995720 AMVBBOHNXYQZMS-UXPWSPDFSA-N 452.650 1.748 30 10 JDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1539215503 DNSHUGVGFKTEFP-NZQKXSOJSA-N 468.583 1.919 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccc(F)cc1 1539369722 OKRHFEUTZDLNAN-RBUKOAKNSA-N 465.551 1.597 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 1539445667 BVARSLQZZYNGIV-AZUAARDMSA-N 466.586 1.880 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(C)(C)C2CC2)CC1 1539452543 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1543076054 FPRXBHYNJLIUGI-LJQANCHMSA-N 483.602 1.491 30 10 JDEE Cn1cnc(S(=O)(=O)N2CC3(CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C[C@@H]2C(N)=O)c1 1548379862 JWQPDHYRVBNWFT-QGZVFWFLSA-N 496.515 1.846 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)CC1CC1 1554150918 BGZQXATZGCLLMK-UHFFFAOYSA-N 456.572 1.733 30 10 JDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCN(C(C)=O)C2)cc1 1554978695 DAISFPDJRKNYHE-GHTZIAJQSA-N 454.531 1.853 30 10 JDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)CCCOC)CC1)c1ccc(Br)cc1 1565000338 WHKBUMHWUXOIEZ-QGZVFWFLSA-N 458.378 1.817 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1F 1587639131 KIUIKFYKHNYVPS-YOEHRIQHSA-N 453.515 1.590 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1588029631 JQJVBGLJCVMAFJ-ROUUACIJSA-N 454.556 1.908 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588053612 GGGNHFCNIVXIBJ-UGTOYMOASA-N 463.648 1.919 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1588065484 ZUWGQUIWOGMVLQ-LJQANCHMSA-N 487.582 1.347 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1588069333 LVMBSSWECQNOQB-VQTJNVASSA-N 469.611 1.605 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C2CC2)N(C)C)CC1 1588836132 GRKQRLBAVDCHNZ-NHCUHLMSSA-N 487.649 1.682 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCNC(=O)c2cccc(OC)c2)CC1 1588914178 ZFXKRALNBFBREJ-UHFFFAOYSA-N 487.564 1.745 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ncn(C)n2)CC1 1588968004 DQVKYDFDLYTNPT-HDICACEKSA-N 497.604 1.191 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1589069745 NKVMXVFKCHRZCZ-INIZCTEOSA-N 452.606 1.107 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1589406233 VQZNITLXOLXRLE-KBPBESRZSA-N 453.341 1.901 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1 1589493441 HMTPQRVHCIDDQT-SQNIBIBYSA-N 454.641 1.790 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC(NC(C)=O)CC1 1593636705 QJBPAFSZBAXOHS-ABHNRTSZSA-N 454.597 1.071 30 10 JDEE C=CCCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C(=O)NC)C1 1594812448 GAZPUXFTZZYSGB-MOPGFXCFSA-N 492.621 1.937 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCn2nc(C)nc2C1 1595545232 SCYPHXISXXPKHK-QGZVFWFLSA-N 485.593 1.615 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1595784086 CACYCNMHMAMKCI-UHFFFAOYSA-N 459.576 1.801 30 10 JDEE C=CCN(C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1622985307 UYXTXGSWOUBYRS-QGZVFWFLSA-N 450.561 1.290 30 10 JDEE COc1ccc(C2=NO[C@@H](CNC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)C2)cc1F 1681945000 GPZAGUXYXXQDQX-GDBMZVCRSA-N 453.478 1.909 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(C[S@@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1689993657 JCEDLRGOSAWPAX-WENCNXQZSA-N 460.625 1.784 30 10 JDEE C#CCN(c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=C)C)[C@@H]1CCS(=O)(=O)C1 1689993837 MJUQZOKXTZZFAG-HSZRJFAPSA-N 482.654 1.846 30 10 JDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690166131 VYPXWCNQNDXDII-SFHVURJKSA-N 457.556 1.424 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1COCCO1 1690560283 RSAJCKZQAHGPHF-UXHICEINSA-N 457.556 1.660 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1CCC(=O)N1CCOCC1 1690572030 QLDIMPQNWYJPJX-UHFFFAOYSA-N 470.549 1.981 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1690665828 QYIPVVBCSRKJBU-SFHVURJKSA-N 467.530 1.366 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1690669319 ANZDUAQBZFKVEA-CHWSQXEVSA-N 450.952 1.824 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cccc(F)c1 1690672652 ZBBDSTLOBRHMFY-OALUTQOASA-N 492.577 1.394 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690720598 NHJHDXMQVCEIGK-AEFFLSMTSA-N 459.572 1.517 30 10 JDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1697697718 BOKLJNQUYUISHB-PZJWPPBQSA-N 488.614 1.728 30 10 JDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC(F)F)OCO2 1705551621 POKGDBWRYWLGGD-LBPRGKRZSA-N 454.455 1.628 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1705559608 DETWHGNJPVQMEP-MRXNPFEDSA-N 485.595 1.674 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1705561833 WRLJIGCVFALYHI-LJQANCHMSA-N 471.583 1.810 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705566383 NJKMAEJAVUJLED-KSZLIROESA-N 481.619 1.570 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1705567115 UJJZIVYCPKXJMX-KRWDZBQOSA-N 459.963 1.825 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1705570415 MZLMQJSQXGOTHY-AZUAARDMSA-N 476.624 1.239 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@]2(O)CCOC2)CC1 1705636601 QPNSMGXFWLPFTR-HXUWFJFHSA-N 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C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCCN1C(=O)NC2(CCCC2)C1=O 1740658676 PBVDGRMYLGJOKD-UHFFFAOYSA-N 476.585 1.857 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740680765 NEFSKDURSCSQRZ-CQSZACIVSA-N 485.408 1.403 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Nc2cccnn2)CC1 1740717261 NQXWDTNXFYYGHY-INIZCTEOSA-N 461.617 1.418 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1740951033 ATZSKPDWTAWAKJ-RUZDIDTESA-N 492.584 1.935 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740952349 ARFMUHVTKPSLMI-OALUTQOASA-N 495.584 1.810 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN2C(=O)OC[C@@H]2C1 1740953632 MMUDZMLDKCQERP-ZDUSSCGKSA-N 479.310 1.790 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CO)CC2)cc1 1740967394 FUAAHFQBRAUANL-OAQYLSRUSA-N 491.614 1.433 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740990489 BAZCEWBBCZNWCV-PXNSSMCTSA-N 464.636 1.135 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1740993584 AJHQLNWQLFSXDV-FQEVSTJZSA-N 451.637 1.770 30 10 JDEE CC(C)C(=O)NCCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1741292739 CIIGQEXXHUXWKU-KRWDZBQOSA-N 462.562 1.433 30 10 JDEE C[C@H](CN1CCOCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1741876687 DTUSSEWVDOJKHH-IEBWSBKVSA-N 453.547 1.009 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCC=CO1 1741939965 FLZUUYWHIZOHOY-GHTZIAJQSA-N 485.614 1.775 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NC)CC1 1748752420 WSLMRLINPARHRP-KRWDZBQOSA-N 461.567 1.461 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1748801793 GUECBMQCEVBXND-GOSISDBHSA-N 459.547 1.637 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1748801866 IDOFDNFEBVOTJR-MBSDFSHPSA-N 488.614 1.739 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1748802073 KSUWOBQKEVKENR-CVEARBPZSA-N 460.585 1.305 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CC1(S(C)(=O)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1748811614 JCHKWPQZSNGYJR-GOSISDBHSA-N 477.612 1.324 30 10 JDEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1748824046 HSWWKEFWSMZERV-ZSYWTGECSA-N 493.630 1.855 30 10 JDEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749023408 UTWDVQYKTCNNKI-HNNXBMFYSA-N 492.403 1.875 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1749170924 WWBHBUNLRZNNCB-CYBMUJFWSA-N 455.972 1.956 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1749457643 NTAACWBQIQBKLG-DLBZAZTESA-N 460.622 1.176 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1749658876 XEAIIDKGADPRPT-OAHLLOKOSA-N 466.995 1.666 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1749663730 OSSDLJQXBKEULC-UHFFFAOYSA-N 467.578 1.638 30 10 JDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCn2cc(Br)cn2)n1 1751853145 AHZWBUILSKLIEL-KRWDZBQOSA-N 474.367 1.918 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c[nH]nc2c1 1760118225 ZTLVBZNLEJSLMM-HNAYVOBHSA-N 457.560 1.188 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCN1CCCO 1760216741 ZPWCMXDWTACECY-NRFANRHFSA-N 487.608 1.985 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C(C)C)N1CCCC1 1760220278 YMRFATSEZLAULY-RTWAWAEBSA-N 476.647 1.194 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCC(=O)NC2CC2)CC1 1760252492 QUZPYQAOJLKSRM-UHFFFAOYSA-N 463.586 1.961 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)N2CCOCC2)CC1 1760254769 KJFLJKKOIJQDAN-MRXNPFEDSA-N 462.396 1.512 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCNS(=O)(=O)CC)CC1 1760261249 MZBAOHJUPFHGGX-UHFFFAOYSA-N 460.604 1.168 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1760274061 FTXKMRAOQGSNRU-IRXDYDNUSA-N 484.692 1.633 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1760341444 BXOUJIBKMAXVLQ-MRXNPFEDSA-N 464.567 1.956 30 10 JDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(CN2CCOCC2)CCCCC1 1760456781 XFRSDVAGEZTIQF-SFHVURJKSA-N 454.641 1.793 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](OCCOC)C1 1760521237 NEAABZGLNLOFCB-OAHLLOKOSA-N 453.503 1.138 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2nccc(OC)n2)CC1 1760525098 UDEBJVUIEMTAJA-UHFFFAOYSA-N 484.511 1.575 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCS2)C1 1760542681 JHHLLLHSGFVNTN-KURKYZTESA-N 471.649 1.678 30 10 JDEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1767737043 HDVFYJMYRYOAOT-SFHVURJKSA-N 456.572 1.604 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCC(C)CC2)nc1 1772564660 NOUQCILYSURENM-HXUWFJFHSA-N 489.646 1.913 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C(=O)NC)C1 1772659984 PFXYKDIJZSIJDT-HNNXBMFYSA-N 452.968 1.557 30 10 JDEE CC(=O)NCCNC(=O)[C@@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869932295 ZLBHSULZJAKIMV-GOSISDBHSA-N 460.581 1.279 30 10 JDEE N#Cc1nnn(Cc2ccccc2F)c1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870111751 BLOVZBSVQOSHQC-UHFFFAOYSA-N 463.385 1.870 30 10 JDEE CCN(CCO)Cc1cc(=O)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)cn1C[C@@H](C)O 1870324477 MEUWUKQNZKFAND-OAHLLOKOSA-N 474.583 1.483 30 10 JDEE C=CCN=c1nc(N2CCN(C(=O)OCC)CC2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706918 NQIDJBFZKKRPCE-UHFFFAOYSA-N 458.479 1.252 30 10 JDEE C=CCOc1ccccc1OCC(=O)NCCNC(=O)[C@H]1CC(=O)N(c2cccc(OC)c2)C1 1873696005 PVBNLGQZGFVTJF-SFHVURJKSA-N 467.522 1.924 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@H]1C(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2127629942 MYUJPCWVXJMJHW-QZWWFDLISA-N 454.373 1.802 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC1CC(NC(=O)OC(C)(C)C)C1 2255751142 VSYMXXIDEAYXTO-UHFFFAOYSA-N 456.374 1.053 30 10 JDEE CCN(CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C(=O)OC(C)(C)C 2255753557 RDGABCYSWYHXRY-UHFFFAOYSA-N 458.390 1.255 30 10 JDEE CC(C)(C)OC(=O)NCCONS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255795471 VSYNXEIQDWXPAG-UHFFFAOYSA-N 456.370 1.862 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)n1 2255795714 XZAACQJAQWRIKE-CYBMUJFWSA-N 456.374 1.007 30 10 JDEE CC(C)(C)OC(=O)N[C@]1(CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CCOC1 2255841499 CTPYZNYCHACZCK-FQEVSTJZSA-N 453.370 1.856 30 10 JDEE C[C@@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)N(C)C(=O)OC(C)(C)C 2255942110 MBAWJBGKQGFDBM-ZDUSSCGKSA-N 458.390 1.253 30 10 JDEE CO[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267098026 VFQQNLJMMMXINB-KGLIPLIRSA-N 450.345 1.463 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)C1(O)CCC1 2268700033 IWBONDMJTMRHAA-AWEZNQCLSA-N 467.397 1.867 30 10 JDEE CC(C)(C)OC(=O)NCCOCCOCCNC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2281803610 ZRHVNNDVRPFOBA-UHFFFAOYSA-N 468.356 1.867 30 10 JDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2282012474 WRQWKPVXEKQPDI-NRFANRHFSA-N 483.396 1.171 30 10 JDEE CO[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@](C)(CNC(=O)OC(C)(C)C)C1 2282092665 RXWSPKWRUGELSF-JLCFBVMHSA-N 464.372 1.853 30 10 JDEE CCn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)nc1B1OC(C)(C)C(C)(C)O1 2282527414 CFSRYQNPXMTCEN-GOEBONIOSA-N 464.372 1.566 30 10 JDEE Cc1ccnc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2282574583 QOQCLQPHNIWNNC-HOTGVXAUSA-N 461.368 1.789 30 10 JDEE Cc1c(C(=O)NCC2(O)CC(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592199 ADFQOLFOABBJST-UHFFFAOYSA-N 464.372 1.176 30 10 JDEE CC(C)(C)OC(=O)NCc1cn(CC(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)nn1 2283962144 DEENJJOICBBPFM-UHFFFAOYSA-N 458.328 1.636 30 10 JDEE C[C@@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2286861808 OVBXYSVSBVTHOM-ZBFHGGJFSA-N 484.428 1.786 30 10 JDEE COc1cc(C=C2Oc3cc(OCC(=O)N[C@@H](CO)C(=O)O)ccc3C2=O)cc(OC)c1OC 2297473651 YXIMFFGOFWKLQE-HNNXBMFYSA-N 473.434 1.269 30 10 JDEE C=C1[C@H](O)[C@]23CC[C@H]4[C@@](C)(C(=O)O[C@H]5O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CCC[C@]4(C)[C@@H]2CC[C@@H]1C3 2333245402 RSQGPCRWQCUQBR-DPIIENGCSA-N 480.598 1.269 30 10 JDEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccccn3)n2N)cc([N+](=O)[O-])c1O 21326781 KIGFPLNEYRWQDW-DNTJNYDQSA-N 459.448 1.186 30 10 JDEE COc1cc(/C=C\C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)ccc1OCC#N 33783528 YVBAXPHLRGMBQY-ALCCZGGFSA-N 453.451 1.732 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OCC2CC2)c(=O)n1C[C@H]1CCCO1 518718384 PEPFPHUYFHRSEC-LJQANCHMSA-N 465.575 1.683 30 10 JDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCCN2CCCS2(=O)=O)cc1 726075332 KFOFGEOQOASQMA-NMWGTECJSA-N 485.632 1.827 30 10 JDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br 728581387 FUIGGZSGNKEWTF-SNVBAGLBSA-N 468.322 1.186 30 10 JDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1[C@@H](C)c1cccs1 729672477 QANHCTQOMKZWLP-CVEARBPZSA-N 493.614 1.882 30 10 JDEE C#CC[C@@]1(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CCCN1C(=O)OC(C)(C)C 1126179624 NKPZFTKFHSFXDB-UTKZUKDTSA-N 457.593 1.384 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)c1 1211739106 DWJHNWVFXVLIRU-QFIPXVFZSA-N 456.524 1.739 30 10 JDEE COC(=O)c1cn(C2CCN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)nn1 1227631204 FORDVVNSWUCRHV-SFHVURJKSA-N 451.487 1.084 30 10 JDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286314499 PHYNOHPTCZLLFE-IBGZPJMESA-N 464.574 1.472 30 10 JDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC=C 1286369574 SXCKFHOROFIJMC-UHFFFAOYSA-N 454.556 1.906 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCCSC)[C@H]1CCS(=O)(=O)C1 1286391229 DAYMXMCRDYQAEF-SJORKVTESA-N 474.674 1.340 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1286392982 IKQQTAWZEUBNTL-SFHVURJKSA-N 497.042 1.726 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccc(N2CCCCC2)nc1)[C@H]1CCS(=O)(=O)C1 1286394184 HOJRZCRAQWDHNO-FQEVSTJZSA-N 472.615 1.875 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1286394779 PLRJKHAGLZBERI-VLCRHTCISA-N 499.637 1.985 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OC)nc1OC)[C@H]1CCS(=O)(=O)C1 1286398790 PIURVOXFXXHCEO-DLBZAZTESA-N 461.544 1.217 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCCC[C@@H]1C 1286431694 QNWNEPYPYAJYLN-FCHUYYIVSA-N 490.674 1.729 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2c(C)cccc2C)CC1 1286480170 KPZIPZMZKCBTTA-QFIPXVFZSA-N 486.642 1.226 30 10 JDEE C=C(Br)Cn1c(CC)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1286539615 AWFVHZAGRPLNIC-HZSPNIEDSA-N 490.424 1.876 30 10 JDEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNS(C)(=O)=O)C1CC1 1286737104 JXNSMCVSPNOGQS-QGZVFWFLSA-N 484.623 1.681 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1286784466 IFQDMXARSZXEIL-NHCUHLMSSA-N 479.629 1.874 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCNC(=O)c2cc[nH]n2)C1 1286802006 LZLYRVZMTRGIAJ-QGZVFWFLSA-N 485.570 1.283 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1286809997 XMGZGUKGBWCIND-ZACQAIPSSA-N 454.522 1.367 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N(C)CCS(C)(=O)=O 1286814478 ARBYVYGGBMARSK-UHFFFAOYSA-N 452.558 1.773 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1286815240 PJUOKORACBKBII-NRFANRHFSA-N 463.560 1.265 30 10 JDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(S(=O)(=O)NCCN(C)C)c1 1296210835 UHGWAABBKRKRMJ-GOSISDBHSA-N 452.577 1.772 30 10 JDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1297716558 FVYIGUUYTZIBDL-AEFFLSMTSA-N 474.543 1.098 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1297729249 FGFSUNUWMWOCNP-MBSDFSHPSA-N 488.614 1.873 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2nsnc2c1 1300308427 OUFVZOLSZFVJLQ-GUYCJALGSA-N 461.573 1.122 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)nc1 1300310374 MKFXKSALNLQCEC-QAPCUYQASA-N 469.546 1.587 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1300409443 HUCSCIDQVPRVNF-SFTDATJTSA-N 489.598 1.611 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1300695914 PGVLDGKJBXXKQR-UHFFFAOYSA-N 453.547 1.389 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCNC(=O)C(C)(C)C)CC1 1300723679 ZGSVLENDKZIVTN-UHFFFAOYSA-N 451.575 1.777 30 10 JDEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C(N)=O)CC1 1300740975 JHBSCUPGBMHXRC-UHFFFAOYSA-N 475.644 1.615 30 10 JDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1301258389 RGCIDVLICUYLNR-GOSISDBHSA-N 455.563 1.585 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301481718 ODQPMIZXFPDKCQ-HDMKZQKVSA-N 477.949 1.734 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1301577843 OOVJSFKDTMPXMW-INIZCTEOSA-N 463.560 1.831 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C)C(=O)[C@H]1C 1301578113 YEFHUYZFGHYKGU-OAHLLOKOSA-N 463.560 1.230 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1301584780 DNEBCTFSHQJAFC-UXHICEINSA-N 472.615 1.541 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC1CC(F)C1 1301584902 FXVDSVSNIQHEPV-UHFFFAOYSA-N 474.562 1.977 30 10 JDEE CCOC(=O)c1c(NC(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)c(C#N)cn1CCOC 1310523862 CKLMPZIULPIJIZ-SFHVURJKSA-N 459.425 1.858 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@](F)(C#N)C1 1315063829 AMRBWLJPANSSRL-CQSZACIVSA-N 463.358 1.760 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(F)cccc1F 1358891062 ZATBEURKBAMECQ-KBXCAEBGSA-N 453.515 1.590 30 10 JDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1358941100 YDLXZOUDPSRPRY-VLGSPTGOSA-N 458.320 1.642 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358959833 QPEKHJPWYQMIAZ-UZUQRXQVSA-N 474.583 1.750 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1358960723 KLIYBQWBBIGLBY-SFHVURJKSA-N 470.599 1.582 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358964971 LIZJJGCJTKZCPZ-HXUWFJFHSA-N 470.599 1.340 30 10 JDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cc(F)ccc1N1CCOCC1 1358997317 NXFZRXVGJXDRAF-UHFFFAOYSA-N 464.545 1.887 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@H]2OCC[C@H]2C)n1 1359027587 OSTHBWXNCLHBLK-UYAOXDASSA-N 455.563 1.422 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCC2(O)CCOCC2)CC1 1359042281 ZMJKCQWOMYBEOZ-UHFFFAOYSA-N 467.570 1.851 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1359044921 RQCWTNZSZCYJGU-WMZOPIPTSA-N 487.605 1.356 30 10 JDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1359057265 WBBYUKJWUTUMTM-VXKWHMMOSA-N 476.691 1.770 30 10 JDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1359126116 GIHDSBWBBLSOEV-UHFFFAOYSA-N 459.551 1.704 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1359132927 IHTIKTCAJUNHBY-YPAWHYETSA-N 494.706 1.768 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359292025 GQNDQAMAYVPZSM-GOSISDBHSA-N 495.584 1.858 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359299773 NEFMHYMKYLKFFI-IRXDYDNUSA-N 496.634 1.318 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1359304202 PZPZNJSHTYEJQR-UHFFFAOYSA-N 474.512 1.469 30 10 JDEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1359492210 DZAGLACSYOFZNM-UHFFFAOYSA-N 458.588 1.992 30 10 JDEE N#Cc1ccnc(N2CCN(C(=O)c3ccc(S(N)(=O)=O)c(Br)c3)CC2)c1 1440872792 AELRHIRJIDRNNF-UHFFFAOYSA-N 450.318 1.326 30 10 JDEE CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1471226752 HMCKUPJSEKKKPD-UHFFFAOYSA-N 455.515 1.940 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C)N3CCOCC3)CC2)c1C#N 1492726967 COICDODBNRAURE-QGZVFWFLSA-N 455.611 1.537 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(OC)OC)c1 1507539449 VZVPYZQDIWIRBO-APWZRJJASA-N 477.587 1.409 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507627596 DYPDMKFSDLXXQL-GOTSBHOMSA-N 496.637 1.800 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1507752760 DXIFQFRAAZOITE-CQSZACIVSA-N 453.615 1.259 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1507754765 PLBKQEDBHPWBHV-KRWDZBQOSA-N 470.603 1.419 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507792224 XQVQDUVQDWBDBY-PMACEKPBSA-N 474.606 1.473 30 10 JDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1507844016 ALNNMFBPDKHNES-SFHVURJKSA-N 459.551 1.432 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1508073779 PDQSXZHSOBBRIG-UYAOXDASSA-N 488.614 1.503 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C)(C#N)CC1 1508074152 QTCHCMCHLDTDTI-UHFFFAOYSA-N 470.603 1.979 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CCCCC1 1509949399 CROAJMNMCZBROE-OALUTQOASA-N 464.636 1.954 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nnc(-c3cccc(Br)c3)s2)C1=O 1531455768 KDPBIEIXYMMDJG-UHFFFAOYSA-N 450.274 1.883 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539220869 MLJUOICQEQXDOV-ZCNNSNEGSA-N 497.687 1.071 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539242610 YLPNMCZLFAMUDW-AWEZNQCLSA-N 465.377 1.390 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)c(OC)c1 1539326129 SNDTWLMZLWSYDZ-JOCHJYFZSA-N 485.610 1.634 30 10 JDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1539400584 HXYKRVLCRAZLNM-DEOSSOPVSA-N 453.543 1.350 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)Cc2ccccc2C1 1539415482 DNGRHEYAUNNBOQ-OAQYLSRUSA-N 471.627 1.365 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(N3CCOCC3)cc2)CC1 1539428247 OEVFQAJOZDANID-UHFFFAOYSA-N 479.629 1.837 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCNC(=O)C(C)C)CC1 1539428793 WQPASGNQLQUVIG-UHFFFAOYSA-N 486.020 1.779 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1539483122 ZJDFPDRVPGQFFU-ZVDOUQERSA-N 472.634 1.636 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(C)c1 1539517904 TVMQXOPPIOUEAE-FQEVSTJZSA-N 493.655 1.931 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1540905276 SMCLQDORSPSMJQ-KEYYUXOJSA-N 497.470 1.801 30 10 JDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)C[C@@H](C)O1 1555404463 GJYBPEPEKSJAQK-UTKZUKDTSA-N 451.531 1.945 30 10 JDEE COCCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCS(=O)(=O)CC1 1555555561 DIGFRHUCOWCXPY-UHFFFAOYSA-N 495.627 1.540 30 10 JDEE N#Cc1cc(F)ccc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 1587519935 BWYVWDDYKCDFBB-UHFFFAOYSA-N 457.531 1.842 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCOCC1 1587639035 JDJXIYWHCQPOGH-WIYYLYMNSA-N 457.600 1.519 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 1588024385 AUFYCAZIPVBRQD-HNNXBMFYSA-N 450.590 1.051 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1588059256 KNVZQAKRGGFKES-NRFANRHFSA-N 487.601 1.893 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCC[C@@H]1NC(=O)NC1=O 1588560595 TVJXRRNKCKCOAP-SFHVURJKSA-N 467.505 1.168 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ccc(C(N)=O)nc2)CC1 1588790922 HBPDKZCLQCKDQK-UHFFFAOYSA-N 461.526 1.260 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1588968836 RAFIEDUSAGBONV-JGCGQSQUSA-N 457.600 1.707 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCS(=O)(=O)C1 1589599091 BDQGBVHQTBYSMO-GOSISDBHSA-N 472.409 1.998 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1593694829 ARNAOWFJNYRGHV-GOSISDBHSA-N 476.603 1.643 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCN(CCC)CC2)CC1 1594096532 CTKWNAFVQDBQFZ-FQEVSTJZSA-N 466.652 1.889 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(O)cc2)CC1 1594812743 JKNHGXNTBHAYIY-SFHVURJKSA-N 461.588 1.805 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCC[C@@H](C)C1 1594961611 CXAZPWOFRQOGFA-RTBURBONSA-N 454.641 1.745 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1595497244 UYUDDYHXKIFRAK-UHFFFAOYSA-N 486.598 1.146 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1595545538 YEGPYRZZWWYVCS-MRXNPFEDSA-N 474.512 1.715 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1c(F)cccc1F 1595551804 VQHWNQAUVZRLLL-SFHVURJKSA-N 498.556 1.218 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1595777457 MZJGDNDLDVFMON-RBUKOAKNSA-N 454.556 1.665 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(O)(C(F)(F)F)CC1 1595789157 OBCRLQAMQYNHAJ-UHFFFAOYSA-N 491.492 1.500 30 10 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470.540 1.570 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2COc3ccccc32)CC1 1690136679 ICWKCXSIUKPQKO-AEFFLSMTSA-N 486.598 1.030 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690250169 DFYSHMWPMIRGTO-ZJOUEHCJSA-N 477.635 1.639 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC2CCCCC2)CC1 1690288252 OWPQACBWGOKJIQ-FQEVSTJZSA-N 466.652 1.889 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(F)cc1 1690528014 WLAGWHGIKFVLME-CRAIPNDOSA-N 453.540 1.840 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(CC)s1)C1CC1 1690545520 SVOCZXVMIRZYFN-AWEZNQCLSA-N 453.594 1.228 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3cccc(F)c3)C2)nnc1[C@]1(OCC)CCOC1 1690677973 GPRPOIJRSYYIKK-XXBNENTESA-N 459.522 1.949 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1690717828 RUQGRKIMQPOXHN-NRFANRHFSA-N 497.625 1.160 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1690730102 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C=C(Cl)Cn1c(N2CCN(C(=O)CN3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722558739 WXFRGXWQVQOXCK-JOCHJYFZSA-N 483.013 1.052 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1722604073 TVUCVSKPRBUTAW-RBUKOAKNSA-N 482.651 1.708 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCN1CCCS1(=O)=O 1722655290 AUEHASKHNPCTFQ-UHFFFAOYSA-N 458.588 1.742 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1722689915 BUZURXVGPJRMQI-GDBMZVCRSA-N 450.540 1.324 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1722693198 GLOTWHXKHHHPEU-GOSISDBHSA-N 470.574 1.423 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)[C@H]1CC 1722724537 ZFXMUOJJTSPDQF-CQSZACIVSA-N 471.381 1.351 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1722730639 XZDJYVBHJITIGM-OAHLLOKOSA-N 478.541 1.074 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1722746014 HLXOMKQEAVMOHW-ZNTNEXAZSA-N 488.552 1.790 30 10 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480.660 1.860 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCS(=O)(=O)CC)C1 1286801861 JJCBIQFYRBKDJW-KRWDZBQOSA-N 468.601 1.565 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(N(C)C(C)=O)CC1 1286820734 QFCDISYIROLLFA-OAQYLSRUSA-N 489.598 1.839 30 10 JDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)[C@@H](C)C1=O 1287751229 DTDQCXDZZLCYMI-KRWDZBQOSA-N 473.603 1.401 30 10 JDEE Cn1cc([C@@]2(C)CN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NCC(F)(F)F)CCO2)cn1 1298803725 BDFKPKDCDNSRFN-OAQYLSRUSA-N 488.474 1.981 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCC1(COC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1300479882 UFAPYXDPTWCKDA-GOSISDBHSA-N 465.620 1.640 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1ccc(C(N)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1300500840 DXTMBBDZMRINQM-LJQANCHMSA-N 494.577 1.069 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1300731417 FLZVHXVGOATSKR-MLNNCEHLSA-N 471.602 1.949 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncn(C)n1 1300789368 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C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2F)CC1 1301509493 IHHOUWPHWQGZBT-UHFFFAOYSA-N 459.501 1.308 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1301569087 PIFLBPQHHZOVOR-VBKZILBWSA-N 452.581 1.207 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(O)cc2)CC1 1301587618 VZSSGBBHDFMOSU-UHFFFAOYSA-N 468.583 1.897 30 10 JDEE C=CCSCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1301623939 PTVVTTZWCRUZGC-KKSFZXQISA-N 464.592 1.322 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCc2ccccc21 1303835920 GMGUVRUIPKTIMI-IERDGZPVSA-N 461.567 1.783 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCS(C)(=O)=O)c1 1358902312 KJRHCCPODRRVIR-UHFFFAOYSA-N 455.544 1.170 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1358955232 ICZMSTYMRKOHHX-MRXNPFEDSA-N 462.601 1.262 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCCCN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1358960355 COXDUGXGCJJMHR-OAQYLSRUSA-N 485.658 1.385 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)C(=O)NCC)CC1 1359042201 WMJQVLPRXGEHPM-UHFFFAOYSA-N 481.557 1.981 30 10 JDEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359051863 LYGRLQHZCKYVGX-CQSZACIVSA-N 462.938 1.251 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1nncn1C 1359203960 ZIWJPUMBASLJMW-IAGOWNOFSA-N 464.596 1.437 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1359303165 GHDJORHWOYTVHE-UHFFFAOYSA-N 467.574 1.703 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNC(=O)c2cccc(O)c2)C1 1359321371 FKQYHKPMFYFZIT-UYAOXDASSA-N 489.598 1.487 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1359333111 OGXIKIQTUIEFMH-IAGOWNOFSA-N 499.684 1.930 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1359337733 ZAIOTPNFDZUQPC-QFBILLFUSA-N 458.654 1.109 30 10 JDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@@]3(C#N)CCC[C@@H](C)C3)ccc2F)CC1 1435562346 HTDCEUYXEZSAFE-VFNWGFHPSA-N 450.536 1.881 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1F 1467705764 DAWDBHLEBOLMLR-LJQANCHMSA-N 456.499 1.693 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1507557112 OHIDLCRHGNGMMU-GOSISDBHSA-N 462.624 1.138 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1507563853 JJXFFKAHLNJHMZ-MSOLQXFVSA-N 471.649 1.092 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 1507625145 HFHZEAYMGXNUJW-YJBOKZPZSA-N 468.526 1.955 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507628578 XJJZRRFKKCQENC-ZWKOTPCHSA-N 491.589 1.956 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CCCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507635302 ROINGZSMGQTHBC-FQEVSTJZSA-N 477.656 1.670 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1507709892 DKFMEARZYAYZQL-CJAUYULYSA-N 480.569 1.691 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccc(OC)cc2)CC1 1507729909 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1.905 30 10 JDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cn(CC(=O)OC(C)(C)C)nn2)c1 1528412609 QRSKZLOJQLKEFR-UHFFFAOYSA-N 453.499 1.107 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CN2CCCC2)cc1 1539266427 QMRJDFLXJVBHEL-HSZRJFAPSA-N 496.637 1.328 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(COC)cc2)CC1 1539469957 VVJBDYGIQPRHNA-KRWDZBQOSA-N 488.614 1.049 30 10 JDEE C#CCSCCn1c(N2CC[C@H](CN3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1539531560 XDKJGPAXERDAFO-OFNKIYASSA-N 463.648 1.844 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539638416 ZDNIZGKCOHFGNB-FBBABVLZSA-N 460.604 1.715 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1540862740 IFQRPSAEQYJOQT-QGZVFWFLSA-N 473.553 1.070 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1540874565 LEDHZGPDFBDYSR-OYRHEFFESA-N 484.649 1.768 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)O[C@H](COC)C1 1540900356 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C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCCN2CCC[C@@H]2CO)CC1 1588929993 KTLXCSDOFUBAFI-FCHUYYIVSA-N 472.634 1.375 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1589008427 VFUDDTVTHRGLNS-FUHWJXTLSA-N 459.597 1.430 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CCN(C)CC1 1589215854 GGSYWTFDNYCAMO-WIYYLYMNSA-N 496.703 1.431 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)[C@@H](C)CC 1589216721 VYQSXYNOAWPRLP-WAOWUJCRSA-N 452.625 1.333 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1589483726 QCSHABDHUIKFBW-QUCCMNQESA-N 467.574 1.755 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2ccccc2C)CC1 1593636537 MQVSICMAJHLUGG-NRFANRHFSA-N 474.631 1.818 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C2CC2)CC1 1594812845 LLCYLRZYJDIQKP-GOSISDBHSA-N 451.593 1.222 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1595467564 XJVZJJXWRRGOMJ-QZTJIDSGSA-N 459.595 1.338 30 10 JDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1595476634 MDCNIHSNRRNSNH-YADHBBJMSA-N 479.629 1.865 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1595820927 ACCRGGLKWNFYGD-RTBURBONSA-N 465.620 1.644 30 10 JDEE CS(=O)(=O)N1CC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)C1 1620168399 FBBDHUXLQNKSJS-QAPCUYQASA-N 464.523 1.006 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCO1 1682226101 CCNYNYWUCPQZGK-RBUKOAKNSA-N 457.531 1.594 30 10 JDEE COc1ccc(C[C@@H](CO)CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1O 1686341194 DWJVSKNBQFOQHE-WOJBJXKFSA-N 452.511 1.524 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C(C)C)n1 1689966694 ZFTJZJHCYQMOLV-INIZCTEOSA-N 452.606 1.503 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1689986872 YRTNISLVRASQEB-FQEVSTJZSA-N 466.567 1.917 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H](OCC)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 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C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H]1CCCO1 1722510661 WHHAETNXTFQCEV-WTGUMLROSA-N 483.635 1.598 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(CCS(C)(=O)=O)C1CC1 1722688939 ORIJHBMFXULYQS-UHFFFAOYSA-N 485.408 1.362 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(CCOC)[C@H](C)C2)cc1 1722705394 XWKCISZLLDDRAS-TZIWHRDSSA-N 489.642 1.950 30 10 JDEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722741430 LHBJOBVUCSZNKG-UHFFFAOYSA-N 467.603 1.432 30 10 JDEE CC(C)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1723518123 CLOGXSFRQQZUGG-UHFFFAOYSA-N 464.618 1.948 30 10 JDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)N1CCOCC1 1723855196 CAPPCCJKPKFBOX-YLJYHZDGSA-N 474.587 1.073 30 10 JDEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1728326723 DXKYXCJSEHUOOL-LJQANCHMSA-N 458.588 1.838 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1740616183 VKMDUEQCZFYQKQ-LJQANCHMSA-N 458.588 1.461 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCOC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1740622220 ASRHCUAXJYPYJB-UXHICEINSA-N 473.599 1.718 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740625954 JHDSYMSUJBIVRU-GOSISDBHSA-N 478.640 1.967 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1740626816 CRPJFEGMLOZWOA-GOSISDBHSA-N 469.571 1.461 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CN(C)CC)c1 1740640353 LIFSBFFQJZXZJZ-QFIPXVFZSA-N 484.626 1.184 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCC2=O)cc1 1740645901 NFAPXXNAOMVNKI-IBGZPJMESA-N 482.610 1.522 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCOC[C@@H]1C 1740678947 VYEGJEYFXFSLAL-FQEVSTJZSA-N 454.575 1.954 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3nnc(O)c4ccccc34)n2CC(C)(C)O)n1 1740689706 ZEJYFJJUHUHXOU-UHFFFAOYSA-N 476.541 1.848 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(CC)nn(C)c1CC 1740899816 PENFCSAABICHTG-SFHVURJKSA-N 451.597 1.140 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1740947193 RRATXQVSBMVKOY-DLBZAZTESA-N 484.623 1.633 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC(C(N)=O)CC1 1740963144 AQLJPKSQWDFXQH-UHFFFAOYSA-N 477.363 1.624 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)OC)CC1 1740985363 GEHBJCPRNXVOKR-UHFFFAOYSA-N 490.586 1.636 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC(=O)N(C)C[C@H]1C 1740986604 BYSKTJPREDYIEL-CVEARBPZSA-N 465.551 1.825 30 10 JDEE COc1ccc(Br)c(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCO[C@H]2C)c1 1748587640 ACNPVQGTRHCEPL-AGKSTNPPSA-N 478.347 1.985 30 10 JDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1748751792 MGQDSQVXVPTAJH-UZUQRXQVSA-N 458.563 1.859 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@]1(N2CCOCC2)CCSC1)[C@@H]1CCS(=O)(=O)C1 1748801756 FXGLGBQMHFNOGP-GCJKJVERSA-N 481.688 1.410 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748811485 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C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCOCC1 1749584337 KIZCSEATYRQHCO-NRFANRHFSA-N 487.626 1.664 30 10 JDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1749629814 GSLBEXFKXZYIDZ-MRXNPFEDSA-N 450.586 1.809 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 1749653162 XELAZHZMTTWYFK-DOTOQJQBSA-N 460.510 1.201 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1749669218 IJNCMZOYTWBAPC-IBGZPJMESA-N 497.604 1.469 30 10 JDEE C=CCNC(=O)Cn1c(N2C[C@H](OC)[C@H](OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749682734 ZFKMPEXMJZRJFY-WNKDZCFJSA-N 464.567 1.201 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1749723767 CJAVOAKVSWVVHL-YJBOKZPZSA-N 465.551 1.873 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749727506 WGAZWMQKNYFPQJ-QGZVFWFLSA-N 490.586 1.167 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](N3CCCCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749740378 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C=C(Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1760362644 QFGXYKZPCHFZPK-UHFFFAOYSA-N 462.558 1.565 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1760389745 SIUNLFOWMSXVSC-HSALFYBXSA-N 482.651 1.267 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@](C)(OC)C1 1760517610 RTZJTSFYTAOBHA-QFIPXVFZSA-N 476.603 1.503 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1760548226 BHMGOFYCKRMDKZ-GOSISDBHSA-N 464.636 1.426 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1760554060 QEDBFIUGZLISHX-UHFFFAOYSA-N 481.582 1.227 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1760558113 GPOXEJWHEMRARX-OALUTQOASA-N 473.599 1.735 30 10 JDEE CC(C)CN1CCO[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)C1 1761129605 HIAGMEHWDSUTJF-NRFANRHFSA-N 495.632 1.366 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCC(=O)NC1CC1 1761234012 ACNGOQPVECWZOA-UHFFFAOYSA-N 482.564 1.812 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC1CC1 1761493067 DFGAGTHUASVDGJ-KRWDZBQOSA-N 457.604 1.882 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CC1 1765632764 AECHRAGOSMRZEY-UHFFFAOYSA-N 467.574 1.006 30 10 JDEE CN(C)CCN1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)C2)CC1 1766925871 HMPQFWWFFIMJLW-UHFFFAOYSA-N 450.591 1.369 30 10 JDEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3/N=C/c3cccn3C)CC2=O)cc1 1874199723 VGHJNTXFUKPQPH-BMYBCIMUSA-N 453.528 1.605 30 10 JDEE N#CCCNC(=O)CS(=O)(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019011202 KDRHEMLKUPTMNY-FQEVSTJZSA-N 485.518 1.423 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@H]2C[C@@]21C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256617878 MUERRRVXCFYEIG-YUNKPMOVSA-N 450.370 1.987 30 10 JDEE CC(C)(C)OC(=O)N1CC(CCO)(CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2267166433 RXBIAXYNJODVDQ-UHFFFAOYSA-N 467.397 1.792 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@H](C(=O)O)C1 2267282856 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Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 2282009041 MJIRHEDXKWAWJQ-LJQANCHMSA-N 454.380 1.659 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@@H](C1)[C@H](NC(=O)OC(C)(C)C)C2 2282173255 GYBZNRZSYPLUFJ-SOUVJXGZSA-N 461.372 1.490 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCNC(=O)OC(C)(C)C)CC(F)(F)F 2282175878 OFZWMVVNENTRDL-UHFFFAOYSA-N 477.293 1.644 30 10 JDEE Cc1nc(S(=O)(=O)N[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282511027 IGWNIFXWGZBUED-ZDUSSCGKSA-N 484.428 1.561 30 10 JDEE Cc1c(C(=O)NC[C@H]2COCCN2C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282555638 WMMMUYDGCABCSV-HNNXBMFYSA-N 464.372 1.393 30 10 JDEE CCN(CCN(CC)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)OC(C)(C)C 2282856118 NWCLHVWPRHLTLI-UHFFFAOYSA-N 486.444 1.987 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@@]1(C)CCOCc1ccccc1 2282861998 XKUPATIQNSUVRG-QFIPXVFZSA-N 476.408 1.874 30 10 JDEE COC(=O)[C@H](CS(=O)(=O)N(CCC#N)CC(F)(F)F)NC(=O)OCc1ccccc1 2286036505 MOOIUBDDYBDKGY-AWEZNQCLSA-N 451.423 1.562 30 10 JDEE COc1cccc([C@H]2C(=C(O)c3cnc(C)nc3C)C(=O)C(=O)N2CCN2CCOCC2)c1 2296626415 AEPLDWMRARSHPZ-NRFANRHFSA-N 452.511 1.856 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2337399510 GCEROVLLGYMXGQ-MYPMTAMASA-N 465.381 1.853 30 10 JDEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C 2339940546 DDXCORYSJKKGLT-AWEZNQCLSA-N 452.361 1.297 30 10 JDEE C=C(CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CC(N)=O)B1OC(C)(C)C(C)(C)O1 2343256524 ABHVGGYZCNCYBV-OAHLLOKOSA-N 473.401 1.301 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)C(CO)(CO)NC(=O)OC(C)(C)C 2344193667 OCMZNOFSANMVEH-UHFFFAOYSA-N 470.397 1.220 30 10 JDEE CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2362355170 YRPDBIIVNUUIQG-LSDHHAIUSA-N 464.372 1.474 30 10 JDEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362461255 NRCDBQDBIIDXIJ-KFWWJZLASA-N 464.372 1.520 30 10 JDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCNC(=O)[C@H]2C2CN(C(=O)OC(C)(C)C)C2)C1 2379815116 DYGCICOZJOOXPX-JQOCKAFUSA-N 476.574 1.487 30 10 JDEE N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@@H]1c1c(O)ccc2ccccc12 72443748 QMDNKHWSFTWNOD-QAPCUYQASA-N 458.478 1.554 30 10 JDEE CC(C)[C@@]12O[C@@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@H]1C[C@@H]1O[C@@]13[C@@H]2OCOP(=O)(O)O 97978381 QROUIGQWVUTWFM-YKEHVLOXSA-N 470.411 1.194 30 10 JDEE C=CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)CCC(=O)NCC2)CC1 257182390 PBXJTONRVJGUCO-HXUWFJFHSA-N 462.616 1.314 30 10 JDEE COc1ccc(C=NNc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cc1O 1084099559 LENHKIUCGSXPIV-UHFFFAOYSA-N 477.528 1.343 30 10 JDEE N#Cc1ccc(OC2CCN(C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)CC2)c(F)c1 1215363883 HJZHJDCZGMCEEC-UHFFFAOYSA-N 456.478 1.828 30 10 JDEE Cc1ccc([C@H](CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)N2CCOCC2)o1 1220820292 FZXZYYSRUWOSAS-SFTDATJTSA-N 451.527 1.933 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H]2COCCO2)c1 1286310545 WBLLYFVDTCWVHG-OALUTQOASA-N 452.515 1.091 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cccnn2)CC1 1286339765 PCFUOTYYCQSGLB-UHFFFAOYSA-N 451.556 1.879 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1286386502 BNYCBPLXUQQKHN-IBGZPJMESA-N 485.591 1.419 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1286389537 LUDLGPNULVTOFA-LJQANCHMSA-N 479.566 1.112 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1286391363 CUXYIZMSHDKDEZ-CVDCTZTESA-N 455.584 1.282 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1286395301 ZKVPLILIXXDIRM-YLJYHZDGSA-N 452.602 1.345 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286398807 PVYSTIAWTTWVFD-ZJOUEHCJSA-N 493.630 1.031 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2cccc(Cl)c2n1C 1286457982 ZLWCBEYMMIMVDX-CQSZACIVSA-N 479.994 1.563 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C(C)C 1286458402 SWZHOZYUMOZCDN-NRFANRHFSA-N 492.621 1.730 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C)C1=O 1286468124 ZERYFNSVLCMHQQ-HXOBKFHXSA-N 476.578 1.151 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(S(C)(=O)=O)CC2)CC1 1286472239 FRZNVIOOWHREIS-UHFFFAOYSA-N 467.393 1.368 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)c2ccsc2)CC1 1286490087 GVWVCWBDDSPLDQ-VGOFRKELSA-N 456.572 1.164 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCN2CCC(O)CC2)CC1 1286491350 OASFTGKYVNCAAS-UHFFFAOYSA-N 465.602 1.077 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC(=O)NCC(F)(F)F)CC1 1286493367 GOZUVUPIDNDWDQ-UHFFFAOYSA-N 468.505 1.575 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(C)CCOCC2)CC1 1286493514 DFFWWZHLVCSRQK-PMACEKPBSA-N 459.591 1.785 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CN1CCCC1 1286521676 BSGQPFLQADLEMW-CNNODRBYSA-N 464.636 1.335 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC1CCCC1 1286553383 DLINUJMTBRQODT-NEWSRXKRSA-N 469.608 1.903 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 1286627479 GIUOIFMIHZHJFG-HUUCEWRRSA-N 464.958 1.784 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1286818460 JBFAKRBZFRELCY-KRWDZBQOSA-N 492.602 1.671 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC(C)C)NC(=O)OCC 1300309043 RZRCUVPRGUOPRH-KSZLIROESA-N 484.623 1.230 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1300410249 MHOQLYKFEIQLOJ-UYAOXDASSA-N 492.671 1.969 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCOCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1300493504 VSZKHUVRRFKLIU-IBGZPJMESA-N 482.566 1.587 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCN(C(C)=O)CC1 1300663851 HJEMRLBSHGMMPW-UHFFFAOYSA-N 476.585 1.381 30 10 JDEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1300975540 WMRJVWXEVBCELH-UHFFFAOYSA-N 499.572 1.427 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1301222113 SALOOPKGVGNFOE-OKZBNKHCSA-N 453.609 1.514 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1301493157 VGEKHVYPIDTFHW-DEOSSOPVSA-N 468.558 1.904 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1301500132 JNORDDABJIIVCF-XNJGSVPQSA-N 462.403 1.503 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)[C@@H](C)C1 1301758668 KMIKFECDCMRFPV-QMHKHESXSA-N 451.531 1.264 30 10 JDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1313491126 CUKVIYPLYFMCFD-MRXNPFEDSA-N 463.464 1.848 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1358875750 VGPXWWRXMIHDIR-HTAPYJJXSA-N 462.572 1.871 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1358958346 MJPBDZMLGCPDER-GOSISDBHSA-N 450.586 1.179 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CC(=O)NCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358961290 VYOUVVLBIMBZNX-FQEVSTJZSA-N 480.594 1.269 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCC[C@H](C)C1 1358994609 RYTOXCFWLLBGRC-VXKWHMMOSA-N 490.674 1.586 30 10 JDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)COC)CC1 1359053033 YWHZXIZTIYKWMV-UHFFFAOYSA-N 457.556 1.378 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1359075668 BQFYSYYEPJUFJY-LLVKDONJSA-N 467.290 1.830 30 10 JDEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(S(C)(=O)=O)CC1 1359086416 WIHFAKOPLDUKPJ-UHFFFAOYSA-N 461.411 1.624 30 10 JDEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359143815 OBFFNQFZEKSSJE-UHFFFAOYSA-N 498.813 1.972 30 10 JDEE C=CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1359200222 WPCOEQHIMNWGIW-UHFFFAOYSA-N 480.573 1.777 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](C(=O)NC3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359305952 RFMQELFGIMTJCJ-GAJHUEQPSA-N 460.579 1.116 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC)C1 1359310412 VNRIWROXUYTQBZ-RTBURBONSA-N 473.599 1.756 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1359326888 MCNHKPZIDWWTNJ-MRXNPFEDSA-N 484.623 1.368 30 10 JDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)C(=O)OC(C)(C)C 1463744045 OUUATUCLJHMQIP-UHFFFAOYSA-N 457.499 1.668 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)s1 1466736137 HGZJPDXFGVWTGW-UKRRQHHQSA-N 454.574 1.630 30 10 JDEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 1502310602 CKIWBIQETHSZFF-CVDCTZTESA-N 480.617 1.184 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1F 1507588726 PQYHYKSUJXSXJE-SFHVURJKSA-N 453.515 1.939 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CCOCC1 1507661368 SYZUZNKLEXWJGR-UHFFFAOYSA-N 470.599 1.551 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1507688653 CTKHEEYWFRRNMF-IAGOWNOFSA-N 484.623 1.231 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCCC[C@H]2CC)CC1 1507735771 GWYMACGSGFCMFQ-AZUAARDMSA-N 493.678 1.119 30 10 JDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1507754050 KJFKNENTHYTWSC-SFHVURJKSA-N 480.616 1.526 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCN(C(C)C)CC2)CC1 1507903236 RQOSUMKDKFXECA-IBGZPJMESA-N 451.637 1.818 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCc2ccccc21 1508131291 LBMBWPLBPGRSDB-MAUKXSAKSA-N 467.617 1.613 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCCN1CCCCC1=O 1510153351 DKVVTVOZILWGPT-KRWDZBQOSA-N 473.603 1.799 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cn2cccn2)cc1 1539239290 JMPNUWCYRHQDLL-SFHVURJKSA-N 451.556 1.254 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2c(F)cccc2F)CC1 1539469631 SLYZDXMCLPRJSP-OAHLLOKOSA-N 494.568 1.375 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOc2cccc(OC)c2)CC1 1539477592 RUECGORFUXXOEA-NRFANRHFSA-N 480.569 1.673 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1539730465 OWQYXMIZMZPUIR-YESZJQIVSA-N 486.639 1.830 30 10 JDEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC(=O)N1CCOCC1 1540191565 NSHJTFDMEIZTDP-UHFFFAOYSA-N 467.368 1.544 30 10 JDEE C=CCNC(=O)Cn1c(N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1540876052 GDKHSICKKIZGGD-RHGYRFJNSA-N 490.605 1.536 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1540901717 NASUYTTYDRSTJR-INIZCTEOSA-N 492.627 1.880 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)C1 1540937734 FQXRWIDYCHYXBO-IBGZPJMESA-N 451.531 1.964 30 10 JDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 1561922717 VNOHLGUZUSPXFW-UHFFFAOYSA-N 457.574 1.357 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1587823196 LZYSMEHWKZHXFG-GOSISDBHSA-N 458.588 1.571 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@]2(C)CN(C)C2=O)CC1 1588961645 HEGQOGUDLXTPBY-SANMLTNESA-N 478.597 1.864 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1594813765 YQZYAENPSIFWEF-ICSRJNTNSA-N 493.634 1.451 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1595820934 ADGMUGKSHMFOGZ-FDDCHVKYSA-N 492.598 1.851 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccccc1OC(F)F 1611710647 CGANMHYGZNMJDU-DZGCQCFKSA-N 470.502 1.461 30 10 JDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1614987653 FSNOHVUOKBLMBI-SFHVURJKSA-N 460.560 1.268 30 10 JDEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)C1 1616577818 BDMUIJZSFULWSV-QCVKPBSVSA-N 482.585 1.963 30 10 JDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](CO)c1cccc(Br)c1 1623780000 IALXYUBRRHYMSF-PXAZEXFGSA-N 452.330 1.837 30 10 JDEE C=CC1(CC(=O)N2CCN([C@H](C)C(=O)NCCCOC)CC2)CN(C(=O)OC(C)(C)C)C1 1627347779 RCPIKHUEKKSGAL-GOSISDBHSA-N 452.596 1.485 30 10 JDEE C#CCCNC(=O)Cn1cc(I)c(=O)c(I)c1 1627845018 CJUCZOLGTBQUHR-UHFFFAOYSA-N 456.021 1.197 30 10 JDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCCS(=O)(=O)N2CCSCC2)n1 1660157311 BGWYZXHIJGIEBI-UHFFFAOYSA-N 454.965 1.897 30 10 JDEE C=CCn1cc(CNC(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)nn1 1673802719 RAETZKHMTWMHKP-UHFFFAOYSA-N 454.922 1.695 30 10 JDEE C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)nn1 1683315281 MKHQWXQTLIFSLN-UHFFFAOYSA-N 459.359 1.987 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1CCN(C(=O)OC)CC1)[C@H]1CCS(=O)(=O)C1 1689989664 HTTONTBHWJAULO-OALUTQOASA-N 479.603 1.625 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1689993511 FSSHTXCNSVPNDU-IBGZPJMESA-N 453.572 1.257 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CC1(CS(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1689994425 XZQMGQFKPKLOET-FQEVSTJZSA-N 490.651 1.515 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(Cc2ccccc2)CC1 1690001647 OYZCAOYGIFIWAN-HXUWFJFHSA-N 468.627 1.873 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1690110438 MMMONFOPMBMAOH-HSZRJFAPSA-N 469.977 1.095 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCn2cncn2)CC1 1690135175 QFVQZKMPNYQXSE-SFHVURJKSA-N 455.567 1.397 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)NC2CCCCC2)CC1 1690143972 HZFTYFVVVKAZKG-IBGZPJMESA-N 469.590 1.034 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1690146754 VKYPUFNYPXWJAD-HXUWFJFHSA-N 472.634 1.637 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1690160031 USIFJBFJDBEWDA-KRWDZBQOSA-N 461.613 1.677 30 10 JDEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCNS(C)(=O)=O 1690346562 WXGMIZSLAWYGNU-AWEZNQCLSA-N 479.003 1.324 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCNC(=O)C1 1690715085 CGLUHNRJIJLHND-UHFFFAOYSA-N 468.583 1.890 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)C[C@H]1C 1690717363 DDWQMOJYIIQNQX-CYBMUJFWSA-N 485.408 1.314 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1690725311 LXAHDVCCRSKEFP-UHFFFAOYSA-N 478.582 1.458 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1690729860 UIQGHORBMWZNJI-KRWDZBQOSA-N 461.544 1.407 30 10 JDEE CC(C)(C)NC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1691208367 ANPCHAJLAREUKM-SFHVURJKSA-N 452.563 1.680 30 10 JDEE Cc1cccc(C(=O)NCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1693162671 BSQWIHFOELCKTB-FOIQADDNSA-N 463.539 1.069 30 10 JDEE CCN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1695501380 DTLJKINXUJHJDV-UHFFFAOYSA-N 464.574 1.186 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1705523678 VYMVRDVSEBKGDP-UHFFFAOYSA-N 452.563 1.329 30 10 JDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1705559480 BDEFKLIRNMSZQM-VQIMIIECSA-N 450.536 1.816 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705564191 MLMBHGBORCQYJE-FZYZMVIOSA-N 473.624 1.991 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1705565638 JAMZKYOGGQFNBE-MOPGFXCFSA-N 477.631 1.795 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1705611470 FJLRITVCQVEZRB-UHFFFAOYSA-N 468.583 1.959 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccc(C)cc1 1705628675 MSARLVLJOGRFHY-FPOVZHCZSA-N 475.615 1.809 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1705648661 VTNVUQHQBKZXCI-FCHUYYIVSA-N 499.660 1.081 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1705705922 NBCJHKOHZANEMT-SIKLNZKXSA-N 475.615 1.962 30 10 JDEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1705810332 VHTISBRKUMHGJG-UYAOXDASSA-N 471.610 1.888 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cncn1 1705864862 NYRSINWSSKZGJQ-IBGZPJMESA-N 490.565 1.234 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C(F)(F)F)C1 1705899084 HTTGEAZBYOVCQW-INIZCTEOSA-N 453.421 1.786 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705937301 PLKBCXSNIVJZPD-MRXNPFEDSA-N 473.646 1.248 30 10 JDEE COCC[C@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1712321425 CDJLTPQPLRZAKG-QHCPKHFHSA-N 450.547 1.664 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(C(=O)NCC)c1)[C@@H]1CCS(=O)(=O)C1 1722368032 OUMXOGXSLQHQJV-HXUWFJFHSA-N 455.584 1.970 30 10 JDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(CS(C)(=O)=O)cc1 1722401399 WHQAGJYRTORTPC-UHFFFAOYSA-N 453.568 1.456 30 10 JDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1722426653 FPRNXSPPCNQHLI-LEWJYISDSA-N 489.646 1.430 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 1722435647 LXVQEJQDRRGABL-MGBGTMOVSA-N 467.603 1.223 30 10 JDEE C=C(C)COCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722529624 XPJYHGCAUPNBIY-IRXDYDNUSA-N 472.521 1.297 30 10 JDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1722543524 QOHKKAJEOPZLKF-IAGOWNOFSA-N 478.015 1.385 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(CC)nn(C)c2OC)CC1 1722573957 DNLYIVMILVLSDI-AWEZNQCLSA-N 451.597 1.644 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C#N 1722729233 YVEKIBMBNBEIMZ-IAGOWNOFSA-N 482.607 1.783 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1722729757 WQDQJLZMVBXBPI-QFIPXVFZSA-N 475.571 1.509 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC1(N(C)C)Cc2ccccc2C1 1723910342 FIRIJEUTVDVXEM-IAGOWNOFSA-N 459.620 1.726 30 10 JDEE Cc1ccc(-c2nc(Cn3c([C@@H](C)NS(C)(=O)=O)nnc3N3CCO[C@@H](C#N)C3)co2)cc1 1724280826 DWPJFLVTXKXABI-QAPCUYQASA-N 471.543 1.629 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1740590669 HPPVXIHQQLVITA-QYZOEREBSA-N 472.590 1.962 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740622526 ZCVYUOHCBTXYMP-QZTJIDSGSA-N 461.563 1.432 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCO[C@H]1C 1740642953 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C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCOCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1748807740 CDHFAUCHIANIPU-LJQANCHMSA-N 466.007 1.803 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1748900676 KAFIYIQGYUFYCL-HSZRJFAPSA-N 456.568 1.486 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1748962445 HYDUHLNKZSOZKS-UXHICEINSA-N 487.626 1.801 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(CN(C)C)c2)CC1 1749009445 JAZUENBHBAYDPP-OAQYLSRUSA-N 463.586 1.305 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1749127093 JPKLRNXZFKRFOO-AOIWGVFYSA-N 459.595 1.841 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749130755 NLIMJZRZUCDMRS-HCXYKTFWSA-N 453.609 1.671 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1749229694 ODBPYTOVDXSLRQ-FQEVSTJZSA-N 474.587 1.712 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749660417 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C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1301491921 REQKOKRKTOOFRT-FQEVSTJZSA-N 490.612 1.642 30 10 JDEE CC(C)C(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1302468460 GKWHDIGEZZFBNP-IBGZPJMESA-N 485.614 1.151 30 10 JDEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1316535785 AKTWTCOONGHCHF-HXUWFJFHSA-N 491.639 1.925 30 10 JDEE C=CCOc1cccnc1C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1355871253 MSFLHSRFEMWSSB-OAHLLOKOSA-N 451.526 1.364 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1CCNS(=O)(=O)Cc1ccon1 1358973297 NGDGSZZERGJQFU-UHFFFAOYSA-N 476.921 1.918 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CCS(=O)(=O)N(C)C 1358974982 YIMXJJYCAPNUKA-UHFFFAOYSA-N 450.362 1.672 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1359043948 OTXLAIGWBRCPFC-HXUWFJFHSA-N 487.555 1.662 30 10 JDEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)N2CCSCC2)CC1 1359159702 BUJVTTMDIMZDOK-OAQYLSRUSA-N 485.676 1.854 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1359303883 DIPHOGJVELUHEO-AWEZNQCLSA-N 477.363 1.589 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CC2)C(=O)C1 1359326516 BVBRKTFLXPHCAL-UHFFFAOYSA-N 486.598 1.559 30 10 JDEE CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 1436791212 CUDZCJBGYHZTKM-UHFFFAOYSA-N 455.945 1.489 30 10 JDEE CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)c1 1444164250 GBSMKZFEYDZWPO-APWZRJJASA-N 451.932 1.977 30 10 JDEE C#CCN(C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 1465597115 IEVJDKLEOCGRID-NRFANRHFSA-N 454.552 1.833 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1507576885 XSFJUCRAVUCURX-HZPDHXFCSA-N 454.597 1.795 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1507622299 DHZMTKKRBGQNBT-FQEVSTJZSA-N 470.599 1.477 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1507640055 OIQPREOXMNVZRQ-PMACEKPBSA-N 459.620 1.108 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCS(=O)(=O)N(C)C)CC1 1507721945 VTWBVYIYFFWWCJ-UHFFFAOYSA-N 490.630 1.388 30 10 JDEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1507830017 OJTGHLALOOPYJF-UHFFFAOYSA-N 451.531 1.546 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1508094456 YAKHJUMLWREYIP-FQEVSTJZSA-N 487.626 1.304 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(CNC(=O)C(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1508098341 OKXVFFIILPOJNR-FQEVSTJZSA-N 488.511 1.127 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C(C)(C)C)C1 1508140857 QUBSXGFONDWGND-KRWDZBQOSA-N 465.576 1.858 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)C1 1508184765 CQDBKPZRQMWROF-GHTZIAJQSA-N 451.575 1.842 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1 1508246187 UKEGPKWLZCAVGW-OOHXQLJPSA-N 467.505 1.668 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CCc3ccc(O)cc3)CC2)c1C#N 1511663123 CVWTYSMBKUGEIQ-UHFFFAOYSA-N 477.573 1.605 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1 1538491938 AQDMXBKCLCWSKS-IBGZPJMESA-N 452.536 1.881 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1539224409 GLLQECWNEGCXRA-KRWDZBQOSA-N 451.618 1.812 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1539239572 MXMZLWGMNOVOCW-BZSNNMDCSA-N 478.619 1.635 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(CCOC)CC2)CC1 1539434297 HGENAOMCSJYOPY-UHFFFAOYSA-N 457.600 1.921 30 10 JDEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1539497007 JGULZXNPIRLVME-QGZVFWFLSA-N 452.625 1.999 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1539556936 KJCVPAGYWIQDEO-JTDSTZFVSA-N 475.537 1.435 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1539640880 BUOOEGUSMKAKJH-URFJDIBFSA-N 488.633 1.749 30 10 JDEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1540006818 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CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)[C@@H](O)C1 2231048337 KUYSYELRVYGILE-AOMKIAJQSA-N 454.373 1.804 30 10 JDEE Cn1nc(C(=O)NC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267502440 NPQUYARPHGHGEK-RYUDHWBXSA-N 466.775 1.968 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CO1 2268651417 BABLTTSMRVJPHU-KGLIPLIRSA-N 467.397 1.988 30 10 JDEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NC[C@@H]1[C@H](O)[C@H](O)CN1C(=O)OC(C)(C)C 2281938791 SLQMYTFCNGHEKG-OAGGEKHMSA-N 482.408 1.427 30 10 JDEE Cn1cc(C(=O)Nc2n[nH]c(CCNC(=O)OC(C)(C)C)n2)c(B2OC(C)(C)C(C)(C)O2)n1 2281972758 NTMDDISDHSCUBQ-UHFFFAOYSA-N 461.332 1.157 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](CCNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)O1 2281989088 VGANNKSLQXMKLP-GJZGRUSLSA-N 464.372 1.853 30 10 JDEE CCn1cc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)nc1B1OC(C)(C)C(C)(C)O1 2282035016 PJQNKTFATJVEKC-ZBFHGGJFSA-N 464.372 1.160 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@](C)(=O)CC1CN(C(=O)OC(C)(C)C)C1 2282038953 PBKGJHBFLJINIK-MGBGTMOVSA-N 482.412 1.824 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)OCC12CC2 2282093298 ARXAEMBKGVSDTG-AWEZNQCLSA-N 462.356 1.607 30 10 JDEE CC(C)(C)OC(=O)N1CC2(COCCN2C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282176634 ARBJCORURJMHCF-UHFFFAOYSA-N 459.352 1.843 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282336351 BSKZFESMNIGDIU-HNNXBMFYSA-N 484.428 1.739 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3(C2)CS(=O)(=NC(=O)OC(C)(C)C)C3)n1 2282532331 WIUSIINEFRVRCU-UHFFFAOYSA-N 480.396 1.578 30 10 JDEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282830764 ZPEPAYNJPHXWDM-LSDHHAIUSA-N 484.428 1.643 30 10 JDEE C[C@@H]1C[C@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1Cc1ccccc1 2282837833 XOOUPICUUGNLGU-SJLPKXTDSA-N 475.424 1.446 30 10 JDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NOC1CN(C(=O)OC(C)(C)C)C1 2282876247 AHRIYPUPCBHQFL-UHFFFAOYSA-N 484.380 1.824 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2282981891 ALGVSZQDQLIJBF-RDTXWAMCSA-N 462.352 1.649 30 10 JDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC(NC(=O)C(F)(F)F)CC3)cc2F)OC1(C)C 2286121549 SLRORXSWKMEFLO-UHFFFAOYSA-N 480.289 1.957 30 10 JDEE C[C@H](NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2315647595 ZZUFAGCULGYZIY-LBPRGKRZSA-N 453.370 1.542 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)CCOCCNC(=O)OC(C)(C)C)n1C 2362494931 YKRDYLKVKQNKSH-UHFFFAOYSA-N 466.388 1.641 30 10 JDEE COc1[nH]c(=N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)ccc1B1OC(C)(C)C(C)(C)O1 2365350827 SBMHKOYGBUZRSD-NVXWUHKLSA-N 463.384 1.841 30 10 JDEE N[C@@H](CC/C(O)=N/[C@@H](CS[C@H]1c2cccc([N+](=O)[O-])c2C=C[C@H]1O)/C(O)=N/CC(=O)O)C(=O)O 30728532 ASZHPHJDCUIIBF-OVAAFMSASA-N 496.498 1.315 30 10 JDEE in-man,metabolite C#C[C@]1(O[C@@H]2O[C@@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]2O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C 616587091 CQOHDQNOAACQBL-BXEVXPFMSA-N 474.550 1.409 30 10 JDEE CC(=NNc1ccc(S(C)(=O)=O)cc1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729815884 ABFFJSXLULDGHU-UHFFFAOYSA-N 459.571 1.652 30 10 JDEE N#Cc1ccc(NC(=O)CN2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 1167258871 IFDUDLHAECLZIO-UHFFFAOYSA-N 456.524 1.665 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccnc(C(C)(C)C)n1 1286297900 YTEXXWUWRHPIHH-MJGOQNOKSA-N 489.646 1.789 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2C[C@@](C)(O)CCOC)c1 1286309783 OERNAGVANWGKNI-VWLOTQADSA-N 494.552 1.850 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 1286388936 CZTAETDJRZPRSG-KDOFPFPSSA-N 463.510 1.377 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCCCS1(=O)=O 1286415557 LBZBAJLLXQBSKH-DEOSSOPVSA-N 494.665 1.683 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1CCS(=O)(=O)CC1 1286458921 FDMJVWXMRPLXMT-UHFFFAOYSA-N 462.572 1.873 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1cc(OC)cc(OC)c1 1286509742 XMJHHAZRADFSKE-LJQANCHMSA-N 495.627 1.763 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286599517 ALPSSKHFXYTHOO-CVEARBPZSA-N 472.612 1.584 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286668155 PXDFTLDUVYVTTI-INIZCTEOSA-N 490.634 1.311 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCCC[C@@H]2C1 1286672693 PWDVRHXKWTYINL-MOPGFXCFSA-N 466.652 1.888 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1286779983 ADYWBOFNEJXQHS-HNNXBMFYSA-N 486.882 1.931 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](C(N)=O)C1 1286781948 FVAUQWPABHUBGY-LLVKDONJSA-N 453.366 1.773 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCOCC2)cc1 1286796596 NUFYPIQDOJFSJI-HXUWFJFHSA-N 477.587 1.451 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3nsnc3c2)C1 1286800191 HQKSHFZHGOZELX-UKRRQHHQSA-N 463.589 1.723 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1286814677 VPLVVQXMZDPIMZ-UHFFFAOYSA-N 491.618 1.042 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCN(CCOC)C(=O)C1 1286817496 UMVPULNAIJMSET-UHFFFAOYSA-N 484.582 1.389 30 10 JDEE CCCCN(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)CC1 1294170058 CLYQRVWBKCCLJR-UHFFFAOYSA-N 462.562 1.863 30 10 JDEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1300357624 SEZZWCIRXHAFDA-LJQANCHMSA-N 477.569 1.820 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300480128 YBXTYFPYXHMHAT-DLBZAZTESA-N 465.645 1.673 30 10 JDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCN(CCN(C)C)CC1 1300609323 NIVKABHUWHBATD-UHFFFAOYSA-N 462.606 1.654 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2coc(-c3ccccc3)n2)CC1 1300682918 KZTNRLAWAWHPQC-QGZVFWFLSA-N 469.571 1.347 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCNC(=O)c2cc[nH]n2)CC1 1300683547 PNOMPXQMLGMNLH-HXUWFJFHSA-N 476.585 1.943 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCN(C)C(=O)OC(C)(C)C)CC1 1300683943 UMULKWAPTLGQPN-SFHVURJKSA-N 450.584 1.624 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccco2)N(C)C)CC1 1300725074 FVRCVGWVGHJNOW-OALUTQOASA-N 488.614 1.042 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)CCS(C)(=O)=O 1300885376 PCAFMSXGEFBOLX-IKGGRYGDSA-N 460.622 1.032 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1301574992 ABVHYBAXAYXGCW-KXBFYZLASA-N 475.571 1.278 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1301595267 RCISPVLEEVQJQK-KGLIPLIRSA-N 470.587 1.880 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1301596783 YRDLOKPPLNSYAQ-DYESRHJHSA-N 464.592 1.258 30 10 JDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1301725364 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485.585 1.667 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCN(C(C)=O)CC1 1507707283 VLHKHKAYWXLDPO-UHFFFAOYSA-N 455.519 1.103 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCNS(=O)(=O)CC)CC1 1507720918 JZHRTMADHWRXAT-UHFFFAOYSA-N 451.984 1.078 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2C[C@H](F)COC)CC1 1507723263 BEXYWIXLHSVIRW-SFHVURJKSA-N 467.549 1.805 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)CN2CCOCC2)CC1 1507741115 UZKYGDQAMUUJAM-IBGZPJMESA-N 482.633 1.074 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1508084994 RYMRLFVZJHJHEA-UHFFFAOYSA-N 495.609 1.467 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cncn2)C1 1508106455 UJESLZMYRWVVHF-MJGOQNOKSA-N 486.602 1.934 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1508140883 QUJSYFYZWJPJBJ-QUCCMNQESA-N 478.663 1.573 30 10 JDEE CC(=O)N1CCCN(c2nnc(COc3ccc(F)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1508231924 JNKQVTCRKYKTRB-FCQUAONHSA-N 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C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(NC(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1748818687 DNAYLJVBKBHOAF-HXUWFJFHSA-N 479.566 1.430 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@@H]1C 1748965794 WKOYUHYHCUCMAP-IEGUWTFLSA-N 479.578 1.212 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1748988967 DDRZXIHBKFQSHV-SFTDATJTSA-N 462.664 1.303 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCOCCN(C)C)CC1 1749010531 MNSYXRNZMBMFED-UHFFFAOYSA-N 468.558 1.218 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)C(=O)NC)CC1 1749010873 RKYMLRONUVJYRI-UHFFFAOYSA-N 452.559 1.692 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1749609133 BMKFYFOITPGWFH-XLIONFOSSA-N 460.604 1.538 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1749722019 YUQKFJRSVRGHRE-UHFFFAOYSA-N 498.009 1.508 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1749725860 VUZVTSXLOODYMV-LZLYRXPVSA-N 477.562 1.873 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC(=O)NC(C)C 1749735422 SEXMYXODDXKUKD-SFHVURJKSA-N 463.560 1.352 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1749806132 XQIBXBDSEMVUEC-GBXCKJPGSA-N 468.558 1.839 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(C)(C)CN1CCOCC1 1760137637 LRSSNZKAPQCCHB-IBGZPJMESA-N 451.637 1.778 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1760187599 KIXYIOXZQKGGTG-ROUUACIJSA-N 468.645 1.711 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCN(C)C(C)(C)C1 1760226508 FXMVQWOZBYZMGR-UHFFFAOYSA-N 458.632 1.834 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(F)cc1)N(C)C 1760233014 HORXERONAUDKCK-WOJBJXKFSA-N 478.594 1.513 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@@H](C)C1 1760337825 WMABCFGIZLAJCH-RTBURBONSA-N 454.641 1.745 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1760526386 MQSFFTGLMCSTOH-LJQANCHMSA-N 452.559 1.977 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1760553776 IGXXBXMHZJZACA-GOSISDBHSA-N 483.598 1.694 30 10 JDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CC1 1761120753 DWAIMOVVTCRVLI-UHFFFAOYSA-N 451.575 1.844 30 10 JDEE CS(=O)(=O)c1ccc(OCCn2c([C@@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1770309331 FVHYWTPULLMYJH-HKUYNNGSSA-N 461.544 1.731 30 10 JDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOC[C@H]1C 1771109767 DPPYFXOCOZNHLF-GOSISDBHSA-N 456.547 1.803 30 10 JDEE COCCN1C[C@H](Cn2c(COc3ccccc3OC)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1771129219 FYQMRTQDTSVEDI-MSOLQXFVSA-N 470.530 1.089 30 10 JDEE C[C@@H](CO)CC[C@H](O)[C@@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@@]4(C)[C@@H]3CC[C@@]12C 1857788214 JQNVCUBPURTQPQ-QVZRXQOHSA-N 480.642 1.712 30 10 JDEE CCOCCOCCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1 1859013594 CYKXKHXWFSDKMJ-UHFFFAOYSA-N 489.550 1.999 30 10 JDEE C=CCNC(=O)[C@@H](CCSC)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861592219 ADHIYMWLYDYWTE-QZTJIDSGSA-N 463.600 1.635 30 10 JDEE C=CCn1cc(OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c(=O)cc1CN(C)CCO 1870323625 ABLYIBFPHFVYMN-UHFFFAOYSA-N 474.583 1.515 30 10 JDEE C=CCN(CC=C)C(=O)c1nonc1OCC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC 1872678873 OVLLNHIXLMQLAJ-UHFFFAOYSA-N 478.483 1.844 30 10 JDEE CCOc1cc(/C=N/n2c(CNC(C)=O)nnc2SCCO)cc(Br)c1O 1874436159 OQOAIFNJQNZGNM-UFWORHAWSA-N 458.338 1.748 30 10 JDEE COCCCn1c(C(=O)N2CCC(N(C)c3cc(C#N)ccn3)CC2)cc2c(=O)n(C)c(=O)n(C)c21 1891361980 UGYKMOAZQHIHGW-UHFFFAOYSA-N 493.568 1.083 30 10 JDEE C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]1CCC1=CCOC1=O 1903865614 YGCYRQKJYWQXHG-NAJQEIELSA-N 480.598 1.845 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256620886 OAYMFHDOSBQVAC-RYUDHWBXSA-N 454.358 1.128 30 10 JDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 2267128387 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Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(O)CC(NC(=O)OC(C)(C)C)C1 2282005849 RGTUWARFBFTVHW-UHFFFAOYSA-N 464.372 1.176 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1CC[S@](=O)(=NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282030480 GMKROXDXHKDEAM-LHRCYKKBSA-N 480.396 1.929 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@@](CO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282191569 OTBCSYCTRYLHIW-HSZRJFAPSA-N 461.368 1.873 30 10 JDEE CC(C)C[C@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)NC(=O)OC(C)(C)C 2282332533 CJKFUGIHGYYWES-OAHLLOKOSA-N 486.444 1.937 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2282528934 ZAUHXIBCSNIUHO-FVQBIDKESA-N 462.356 1.083 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2282681841 HUHSXLJJTVQEJM-SOUVJXGZSA-N 461.372 1.490 30 10 JDEE COCCCNC(=O)/C(C#N)=c1\s/c(=C\c2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccc(C)cc1 3258135 YPKDMOLMSBGEPH-MTOSODPESA-N 478.530 1.771 30 10 JDEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 204870141 DHTCQBFLBGTMKB-OAHLLOKOSA-N 461.372 1.338 30 10 JDEE CON[N+](=O)CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 585088911 KGOZGFGCQUATCE-IBGZPJMESA-N 464.480 1.280 30 10 JDEE CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)[C@]1(CO)CO1 725391598 PIVHGYFXNPTXPQ-WATLYSKOSA-N 454.523 1.306 30 10 JDEE Cc1ccc(F)c(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnn4ccccc34)c2=O)c1 729669544 QGAAQKFVOCYEBU-UHFFFAOYSA-N 489.532 1.356 30 10 JDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 919928180 VJTVBNMDJJBLGU-SFHVURJKSA-N 450.513 1.889 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCc3ccc(S(=O)(=O)NC)cc32)ccc1F 1148508642 OXCPPHUZZBSTKS-UHFFFAOYSA-N 453.517 1.401 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc(C)c(Cc3cccc(F)c3)s2)CC1 1205215937 IOYDRSYWUALFSB-UHFFFAOYSA-N 451.549 1.799 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1286380742 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C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1507831652 CHDRFAJXUANVKZ-HOCLYGCPSA-N 453.590 1.601 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCCCC2=O)CC1 1507955383 XWNOSUUXZWJXOU-IBGZPJMESA-N 480.635 1.559 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1508087708 PIOACXSKVYDHHV-UHFFFAOYSA-N 492.559 1.851 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(C)(C)C)CC1 1508089293 WUYDPATUEDXSGA-UHFFFAOYSA-N 464.574 1.415 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(C)=O)C[C@@H]2C)cc1 1508100985 SBGJGDXBOFWJKX-FXAWDEMLSA-N 473.599 1.850 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@@H]1C 1508104806 OLCPIYRZNAMEOY-WMZOPIPTSA-N 459.572 1.460 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCC[C@H]21 1508134901 IHAPZWHQVZEIOX-PKOBYXMFSA-N 479.628 1.785 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1C1(c2ccccc2)CCC1 1508149872 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C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1COc2ccccc2O1 1539125892 PQSDSHNHQQEHQQ-PXNSSMCTSA-N 475.571 1.301 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1 1539203227 OJRSHAXGOLMASP-AHUWJOPLSA-N 491.658 1.764 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1539222198 UIYAWAZXHYOCDQ-SJORKVTESA-N 481.500 1.923 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539229447 CZTNOXMYFIAEPI-OAQYLSRUSA-N 472.611 1.622 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1539297037 XYOWXKBMONAPEM-UNMCSNQZSA-N 484.626 1.252 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1539315458 NJLKIAGNHPJPTB-UHFFFAOYSA-N 466.505 1.197 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1539402481 CWQKYDREGNFIIN-FQEVSTJZSA-N 497.415 1.652 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2F)CC1 1539517616 PXQGPUMPOZRPBN-INIZCTEOSA-N 464.592 1.407 30 10 JDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539990814 RSELPIWJOJXKQB-UHFFFAOYSA-N 450.551 1.097 30 10 JDEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)NC)CC1 1540034282 ZGXGFXYHVYIFGU-UHFFFAOYSA-N 476.607 1.292 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)N(C)C 1540134404 WZGVUHUCSMOUMP-SFHVURJKSA-N 467.617 1.264 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1540874346 CTQWLJMYGAKCLW-UHFFFAOYSA-N 475.509 1.586 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1540876241 LHHIGXRHYFNIEB-UZUQRXQVSA-N 478.594 1.678 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCO[C@H](C)C1 1540898763 UGFZXPGKXLANFX-MRXNPFEDSA-N 468.601 1.565 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(C)C)CC1 1540902062 ZMEXMVCACVGIHX-UHFFFAOYSA-N 499.641 1.571 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1540903782 GSICZFMMGSZWLU-LJQANCHMSA-N 470.642 1.546 30 10 JDEE COc1ccc(OCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1554984432 GPJOUUXEVSIVNP-WIYYLYMNSA-N 494.549 1.141 30 10 JDEE C=CCOc1ccccc1CNC(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1564063652 ZGUYIMJCBHDCKJ-UHFFFAOYSA-N 450.483 1.912 30 10 JDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)Nc2nncs2)CC1 1586188621 ZKEDCGMFQIIMPF-ZDUSSCGKSA-N 458.972 1.657 30 10 JDEE CCNC(=O)COc1cccc(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 1587497736 GLVNBHXUUNIRJD-OAHLLOKOSA-N 458.540 1.335 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(CS(C)(=O)=O)CC1 1587662945 RXIDNYPEFBHTDZ-OAQYLSRUSA-N 484.670 1.926 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccco2)c1 1587692590 GJZJMQOQQYSNIC-FQEVSTJZSA-N 498.565 1.309 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1587823067 JRFIHMLZACLUOO-UHFFFAOYSA-N 498.653 1.897 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN(C)c1ccccc1 1587989152 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COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)c(OC)n1 1504273778 BJYIPMJNUFDNNA-KRWDZBQOSA-N 460.560 1.771 30 10 JDEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1507593950 XDDIKJHOPZLBEJ-UHFFFAOYSA-N 497.625 1.866 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1507627613 SUEATOMLKGABIP-AUSIDOKSSA-N 488.614 1.287 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCO[C@@H]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507631049 LFAWXNLCUQXYJH-CMKODMSKSA-N 458.588 1.957 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1507644917 PPWUPIHQDYELQG-HXUWFJFHSA-N 477.594 1.824 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CC1 1507701378 FESABWNNHSREEU-QGZVFWFLSA-N 480.587 1.536 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(N3CCOCC3)c(F)c2)CC1 1507716773 URTAHVLUIWRTCQ-UHFFFAOYSA-N 497.619 1.976 30 10 JDEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCS(=O)(=O)N(C)C)CC1 1507733294 SUBMDMOOTRBGKL-UHFFFAOYSA-N 483.063 1.870 30 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CN(C)S(=O)(=O)N1CCC2(CC1)C[C@H](C(N)=O)N(c1ccc(C#N)c(C(F)(F)F)c1)C2 1548379943 LHPXXYJEUVSGNT-MRXNPFEDSA-N 459.494 1.530 30 10 JDEE CN(C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1552853606 CZDYPZQDPCGJPS-UHFFFAOYSA-N 480.617 1.979 30 10 JDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1555524445 FTKXQJOBTROCMM-UHFFFAOYSA-N 489.584 1.215 30 10 JDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)[C@@H](C)O)cc1 1585916330 AXTGSAYDXLHPEB-UZKOGDIHSA-N 456.568 1.259 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(=O)OCC)CC1 1587706199 MXMUXLFLTGKEDJ-MRXNPFEDSA-N 454.597 1.749 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(N(CC)CC)nc1)[C@H]1CCS(=O)(=O)C1 1588025411 YXFPRUCJULBJTI-IBGZPJMESA-N 487.630 1.333 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(C)(=O)=O)CC1 1589543940 CZDFPCLOOYMFCF-NUJGCVRESA-N 472.633 1.175 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1589663555 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GYQVCDLFGVFLLV-SFHVURJKSA-N 457.962 1.721 30 10 JDEE C#CC[C@@H](COC)NC(=O)N1CCN(C(=O)c2ccccc2I)CC1 1637389986 OTHXLJMHMUKQOD-AWEZNQCLSA-N 455.296 1.797 30 10 JDEE COCCN(C(=O)CN1CCC[C@@H](CC#N)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1647733138 FKHFMHPBIOVMNJ-SFHVURJKSA-N 454.531 1.184 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1689825918 FPGDMZJMHHBIJM-NVXWUHKLSA-N 479.006 1.601 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1689984833 WHRONWSXCDBLME-NOVUIFNWSA-N 462.597 1.492 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1cccn1 1690019235 DLXNMHNWPVMKRU-IBGZPJMESA-N 453.547 1.946 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(OC)CCCC2)CC1 1690137600 DMASPZZQVOZVPR-XMMPIXPASA-N 459.591 1.855 30 10 JDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690351519 WAVRPYXATYBGGF-FQEVSTJZSA-N 477.978 1.837 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC[C@@H]2CCOC2)CC1 1690411719 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C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1705567171 VGFQNGCDJJYQNJ-KRWDZBQOSA-N 476.509 1.955 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CCC(=O)NCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705570868 UTHFLKOBEDDYJG-HXUWFJFHSA-N 455.584 1.564 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1705587960 QAWPCGAXKYFXKL-GOSISDBHSA-N 466.508 1.630 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCc1c(OC)cc(OC)cc1OC 1705597238 ZGEKLJUHORRQST-LJQANCHMSA-N 451.527 1.961 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](N1CCOCC1)C(F)(F)F 1705602855 DJHODLQYGKZKBC-OTWHNJEPSA-N 469.508 1.728 30 10 JDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1705602900 FAYLPYKEGGZNMY-UHFFFAOYSA-N 450.591 1.559 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCC(=O)N2)CC1 1705645480 VNWJVIZTQLLEBV-GOSISDBHSA-N 485.386 1.952 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1705695844 CQAMAFXCUGZJLK-MLHJIOFPSA-N 484.623 1.584 30 10 JDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705831169 IKXJCPSGKFADRG-REWPJTCUSA-N 467.618 1.845 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1705939221 UVWFWXYZCVMSPL-YWTNHNAXSA-N 465.620 1.512 30 10 JDEE C[C@@H]1OCC[C@@]1(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1708275575 GAVJJKBDGGIICK-SZFUDVHCSA-N 462.913 1.843 30 10 JDEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1712702024 DDXFBVPLJAGLTB-UHFFFAOYSA-N 484.538 1.329 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCS(=O)(=O)NC(C)C)c1 1722305015 KVLMXQBHVFOPTM-UHFFFAOYSA-N 460.604 1.960 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CCOCCS(C)(=O)=O 1722375765 GRMQDRASXFORCT-UHFFFAOYSA-N 465.373 1.842 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCCN1CCN(c2ccncc2)CC1 1722396411 ZAFDQFHSWXXQSL-UHFFFAOYSA-N 457.586 1.749 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCSc2ccc(C)cc2)CC1 1722431550 QTWOEHFMUJBRKA-GOSISDBHSA-N 462.645 1.744 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCC[C@H]2C)CC1 1722443646 LTQNTBRHYBCCSK-NTKDMRAZSA-N 458.607 1.380 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ncnn2C(C)(C)C)CC1 1722448739 GLAIPHLWQBLXAN-UHFFFAOYSA-N 481.630 1.994 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1722523378 QLAZDBBVJOYSOP-LJQANCHMSA-N 474.587 1.150 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722725531 MVQVNEVEOZBNKU-CQSZACIVSA-N 458.993 1.823 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1722727619 NDBDNWNVUYZFLF-QGZVFWFLSA-N 475.550 1.861 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1722736799 JDLUMTHYVNHOEX-UYAOXDASSA-N 496.678 1.056 30 10 JDEE Cc1nccn1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1725746597 DVDOMGZNKHVDOG-HXUWFJFHSA-N 498.613 1.700 30 10 JDEE CCNC(=O)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1728655897 IBUKBTAUHDHWFA-UTKZUKDTSA-N 493.634 1.047 30 10 JDEE C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCNS(=O)(=O)Cc1ccon1 1740606515 GLLKRBHQKKNSKD-UHFFFAOYSA-N 453.528 1.614 30 10 JDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCNS(=O)(=O)CC 1740609715 NZNVDNKBPAKZFN-UHFFFAOYSA-N 454.597 1.401 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 1740625165 DJPSBLPZFRNSSO-QZTJIDSGSA-N 461.613 1.964 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1740627016 DNNCTRRGHBSQOG-SFHVURJKSA-N 472.546 1.888 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1740628744 STGGTXGHRXVFBI-HXUWFJFHSA-N 484.626 1.943 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(F)(F)F 1740685679 KFUKXECXXLREOK-AWEZNQCLSA-N 453.487 1.040 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCS(=O)(=O)C1 1740687413 DDAGURCFJWXLHF-KURKYZTESA-N 481.619 1.570 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2nccn2C(F)F)CC1 1740703577 XTBDJUCDBLXMDF-QFIPXVFZSA-N 477.516 1.536 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(OC)CCOC2)CC1 1740706963 KBBVBBDVBORVRN-DEOSSOPVSA-N 455.534 1.779 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](CN(C)CCC)C1 1740958946 HRUNRHIFMPGCES-GOSISDBHSA-N 478.601 1.662 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2oc(CCC)nc2C)C1 1740978983 APVOMUJEDAAFOO-PKOBYXMFSA-N 494.618 1.690 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1740990698 DJWROVXXPNBRSR-FPOVZHCZSA-N 492.690 1.963 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C(=O)NC)C1 1740993157 ULMXXJZPVGQODO-HNNXBMFYSA-N 467.542 1.710 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1748803437 YQKAFJRFULMPJY-MRXNPFEDSA-N 483.554 1.459 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1748810094 RXCVAHBXEMFPBZ-WIYYLYMNSA-N 457.581 1.311 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1748824588 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468.554 1.435 30 10 JDEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(NC[C@H](O)c3ccc(Cl)cc3)ncnc21 1875230961 UPFNOPYERCSCEH-IBGZPJMESA-N 459.934 1.843 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H](Cc3ccccc3F)NC(C)=O)CC2)CC1 1890454322 SABQIQMBODGPAC-VWLOTQADSA-N 472.605 1.521 30 10 JDEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255826151 LPXZLGUVSMRQDE-KBPBESRZSA-N 452.386 1.790 30 10 JDEE CO[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1CN(C(=O)OC(C)(C)C)C1 2256664974 HXEDFQCCIAKBIT-GFCCVEGCSA-N 454.358 1.080 30 10 JDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCONC(=O)OC(C)(C)C 2267463222 GRKPOYNUXGHYRB-UHFFFAOYSA-N 472.369 1.729 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2CC[C@H]2CNC(=O)OC(C)(C)C)n1 2267466163 WKGLLZHWMDTTBL-ZFWWWQNUSA-N 470.401 1.301 30 10 JDEE Cc1nc(S(=O)(=O)N[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2267707652 VBHLYAGVNHEQKP-KGLIPLIRSA-N 470.401 1.219 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCc1nccn1Cc1ccccc1 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CC(C)(C)OC(=O)NCC1(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCOCC1 2283059238 COHBEFOIMKDSRY-UHFFFAOYSA-N 462.356 1.580 30 10 JDEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2344196075 INTMWXDDIZNUHP-UHFFFAOYSA-N 454.304 1.312 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2359393007 ZPBAKWOAHYGYNU-IXDOHACOSA-N 482.770 1.919 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)N2CC[C@H]1C2 2368749540 ZXDPORDLZWYSEM-LSDHHAIUSA-N 478.424 1.866 30 10 JDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@@H]1c1ccccc1[N+](=O)[O-] 72444271 VUSBDOYXDLRKDO-DZGCQCFKSA-N 452.427 1.245 30 10 JDEE CCOC(=O)[C@@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)[C@@H](C#N)[C@H]3c2ccc(N(C)C)cc2)C1 203567959 BCSPQDYXMHFDHI-BPQIPLTHSA-N 464.526 1.839 30 10 JDEE Cc1cc(/C(N)=N/O)nc(-n2cnc(I)c2I)n1 305981619 CYLAYOXPVBYNOW-UHFFFAOYSA-N 470.012 1.274 30 10 JDEE Cn1c(=O)nc(O)c2c1nc(N/N=C/c1ccccc1[N+](=O)[O-])n2C[C@H](O)COc1ccccc1 606629992 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470.599 1.760 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCC1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1300494116 YWSUUKGPYQVKFT-IBGZPJMESA-N 457.604 1.484 30 10 JDEE C#CCN(c1nnc(CC)n1C[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCS(=O)(=O)C1 1300499485 SNINGDKSRYXZMX-SFTDATJTSA-N 457.600 1.368 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1300823254 APLLTYMWJPCRIH-QGZVFWFLSA-N 490.406 1.674 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1300884986 NKNUTSIEWIBWQV-FXAWDEMLSA-N 458.607 1.775 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2csc(C)n2)CC1 1301258507 UVKKMGPRGSEJAK-SFHVURJKSA-N 480.660 1.860 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@@](C)(c3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1301520424 GOVCOBNXELZZTF-RPWUZVMVSA-N 455.559 1.984 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2C[C@@H](C)O[C@H](C)C2)C1 1301557638 QIEBAIZTIDWDRV-LFGUQSLTSA-N 483.635 1.596 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1301579137 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C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1690668566 AGUXRTIUBUDFPA-UHFFFAOYSA-N 479.545 1.008 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@H](C)N2CCCCC2)C1 1690700664 VWUHNFUCKZVTFI-NJYVYQBISA-N 496.678 1.657 30 10 JDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1(CS(C)(=O)=O)CC1 1696838635 DAVMVJYAUHUCRR-UHFFFAOYSA-N 451.574 1.122 30 10 JDEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C1 1696926332 AGLTYFYBHAXUJC-PKTZIBPZSA-N 454.531 1.497 30 10 JDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1697007200 FXVRSHHKXGADLX-IBGZPJMESA-N 453.547 1.023 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2OCC[C@H]2C)c1 1705503791 DZFQIZKDUXLMTL-JTDSTZFVSA-N 474.587 1.370 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1705563385 WMGMCELLUGEGJQ-GOSISDBHSA-N 487.582 1.259 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705568229 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C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1740991836 GHOFDALGHXKIGB-CVEARBPZSA-N 453.590 1.726 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1740994397 NKDAYUDFBGJSEM-UHFFFAOYSA-N 457.600 1.723 30 10 JDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNS(=O)(=O)c2ccccc2)CCOC1 1746697965 BEHCDSFCFDJXHG-NHCUHLMSSA-N 478.550 1.351 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1748291773 ALIODXJFXKMFHI-LJQANCHMSA-N 454.560 1.712 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1748810382 VKIZMNUMAPSYID-SBUREZEXSA-N 490.582 1.395 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 1748810470 WQZYFCCAIKSYAZ-LJQANCHMSA-N 478.534 1.353 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1748820631 GGNMLEYSPAIRKC-SJORKVTESA-N 459.538 1.742 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748825715 CRENZMSGQFQGKS-ROUUACIJSA-N 459.547 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C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(OCC)cc2C1 1508094374 XOPKNHPQKISLTR-QGZVFWFLSA-N 459.572 1.444 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1508141771 YTRZGAOGHKDIRH-CALCHBBNSA-N 474.543 1.045 30 10 JDEE CC(C)CN1C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NC(C)C)CCN2C1=O 1509403277 GJFSIXKPLVTSFD-HXUWFJFHSA-N 464.574 1.924 30 10 JDEE CC(C)(C)NC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1510289181 CDJVHDUKSWKKEV-KKSFZXQISA-N 481.623 1.046 30 10 JDEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCS(C)(=O)=O)cc(OC)c1OC 1517963072 HJFMRNDKFBEBIF-HXUWFJFHSA-N 467.523 1.848 30 10 JDEE C#Cc1ccc(CNC(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)cc1 1522547259 LYINUTPYYLBHKW-UHFFFAOYSA-N 451.504 1.873 30 10 JDEE CN(CC(N)=O)C(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1 1525554252 AENKLXFQSHMAAD-OAHLLOKOSA-N 453.886 1.761 30 10 JDEE C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1=O 1538450450 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1.934 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCc2cnn(C)c2)CC1 1588892017 VSAZMJRMRJFOAU-DEOSSOPVSA-N 469.590 1.262 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1588929882 IHJGPCLKYVIBIK-TZIWHRDSSA-N 490.674 1.266 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1589069401 KKBVOZAJBTZUFL-IRXDYDNUSA-N 499.659 1.576 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1589242637 DGBKGCHXYKJJAD-JOCHJYFZSA-N 457.556 1.782 30 10 JDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1589394754 OFCOITKGVCZQGK-CQSZACIVSA-N 477.323 1.768 30 10 JDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1595889858 AAUQRUMGDRGTGZ-UHFFFAOYSA-N 457.604 1.356 30 10 JDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1595894897 BOGGCJQSFPTNEJ-KRWDZBQOSA-N 467.603 1.696 30 10 JDEE C=CCCC[C@@H](C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 1596757889 GFTPWOUOTKJEQI-VQTJNVASSA-N 454.614 1.788 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCCCN(CC(=O)OC(C)(C)C)C3=O)cc2C1=O 1597704814 GJMQDVYRLUQDAC-GOSISDBHSA-N 455.511 1.921 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(N2CCOCC2)CCSC1 1611286515 HJUSIWJHFGIPOF-HTAPYJJXSA-N 470.603 1.872 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C#N)C1 1617345779 BXXYIIXAHCBGID-KRWDZBQOSA-N 484.529 1.947 30 10 JDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(COC)CCOCC2)CC1 1619551634 AGJOOQDJFGBZIZ-UHFFFAOYSA-N 498.584 1.467 30 10 JDEE C#CCn1ccc(CN(CC)S(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)n1 1622096923 GETLBTXLPDDHGN-UHFFFAOYSA-N 453.318 1.821 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)[C@]2(c3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CC1 1623498881 HQEWDABQKHBQLH-RUZDIDTESA-N 454.571 1.459 30 10 JDEE C=CCn1c(S)nc2cc(C(=O)Nc3ccccc3C(=O)NCCC(N)=O)ccc2c1=O 1627850699 VGNYZXGUGSNTOT-UHFFFAOYSA-N 451.508 1.729 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689978475 WFBNUINSPLREGJ-PGRDOPGGSA-N 465.620 1.374 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1689991767 CCHSNPVYPUNCJF-SFTDATJTSA-N 456.616 1.765 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689993988 OSQNVOQFSOVKSY-VQIMIIECSA-N 464.661 1.991 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CN(C)CC)c1 1690047521 SOOYHIJMNWXBPZ-HSZRJFAPSA-N 498.653 1.574 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(Cl)cn1 1690076979 GCTMOURQYHYASC-INIZCTEOSA-N 468.967 1.198 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCNS(C)(=O)=O)CC1 1690132686 WNFNVXCEWXUYKA-UHFFFAOYSA-N 460.604 1.168 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC2(O)CCC2)CC1 1690139156 BNNJAZYJYNVDHY-UHFFFAOYSA-N 485.610 1.620 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCNS(C)(=O)=O 1690251796 ZKVRNOWPTRFEJD-UWJYYQICSA-N 473.603 1.483 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCO)Cc1ccccc1 1690345802 DCDLAZINYDGTFR-QGZVFWFLSA-N 455.968 1.362 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690662056 PQVYYWPAAXUOQN-INIZCTEOSA-N 484.586 1.108 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cn3ccsc3n2)C1 1690687103 YQQUVZSAEUFHGO-UKRRQHHQSA-N 451.578 1.427 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)Nc2ccc(F)cc2)C1 1690699683 HZLSYRUJTSLZPQ-MAUKXSAKSA-N 463.535 1.739 30 10 JDEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Cn2cccn2)CC1 1696623992 DXDPYGUEUJZVAQ-UHFFFAOYSA-N 498.613 1.733 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CC(=O)N(CCOC)C1 1705479352 HVAVNRUCIMJHJZ-CABCVRRESA-N 463.380 1.999 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2cc(OC)ccc2n1C 1705494560 BYRBIDOCNJMYCE-BEFAXECRSA-N 487.586 1.013 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OCCOC)cc1)[C@@H]1CCS(=O)(=O)C1 1705567750 YYTUJQIMLWSJHG-NHCUHLMSSA-N 488.610 1.872 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCN1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1705568381 MSNADMVSCGBLFR-IBGZPJMESA-N 476.647 1.149 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1705572091 QNRJOZDNEAQZIQ-QKLQHJQFSA-N 450.586 1.726 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCN(CC)CC1 1705580458 JMYCBHIIQJRQGQ-NRFANRHFSA-N 486.624 1.538 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCC[C@@H](C)C1 1705583488 ZCLSACZQJBQDKJ-WOJBJXKFSA-N 476.647 1.194 30 10 JDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCn1cc([C@@H]2CCOC2)cn1 1705585592 VFJFZIAPYAYGJQ-GOSISDBHSA-N 463.567 1.743 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@@]2(O)CCO[C@H]2C)n1 1705631357 BMPCHQCEYUTWKM-YYDVJCTNSA-N 458.563 1.195 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1705725924 YPVSEYGBCSVZKF-RTBURBONSA-N 465.576 1.966 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(=O)NC 1705868191 FAXKFUZXHQQFDS-QGZVFWFLSA-N 496.659 1.637 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1705891098 YWMCRUJXKUCRSW-PXNSSMCTSA-N 451.524 1.034 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)c(OC)c2)C1 1705924879 GYFKUAMPTRKUGZ-CTNGQTDRSA-N 491.614 1.758 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705935504 TUPZHXUNBZYKCK-QGZVFWFLSA-N 468.601 1.102 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1705946869 UCVUTSOACDALKX-IAGOWNOFSA-N 453.634 1.691 30 10 JDEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1)C1CC1 1711551528 HBXWINONBJFFMR-NRFANRHFSA-N 451.575 1.888 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCS1 1722398079 WTEAPYMBQXYBHS-MSOLQXFVSA-N 451.618 1.360 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](CC)N2CCCC2)CC1 1722439994 ADXCIKQYXFMNND-IBGZPJMESA-N 455.632 1.899 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC(=O)NCC(F)(F)F)CC1 1722444018 SKWHTIXRGLRELG-UHFFFAOYSA-N 478.475 1.598 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC(=O)N(C)Cc2ccccc2)CC1 1722448429 BUOJZYRAPNUFFF-UHFFFAOYSA-N 485.592 1.888 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC(=O)NCC(F)F)CC1 1722450806 RJQKRXHDKZLSCF-UHFFFAOYSA-N 474.512 1.513 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1-n1cccn1 1722681844 UFGGHMUVFQSOEH-SFHVURJKSA-N 457.560 1.448 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@]2(CCOC2)C1 1722699227 SNVCXSDLCAAJLZ-DEOSSOPVSA-N 490.605 1.691 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ncc(CC)s2)C1 1722717970 FSFDDNCDWUBPHN-DOTOQJQBSA-N 482.632 1.460 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1722728971 UWORYYRDECCTCO-KRWDZBQOSA-N 466.633 1.470 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCCSC2)C1 1731012324 GEQKDIIYRTXZOY-MSOLQXFVSA-N 468.649 1.884 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2([S@](C)=O)CCC2)c1 1740562310 IHYFKZCFULZMHL-XHVUARLKSA-N 468.583 1.587 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740626909 CYOJCAZYKKWFSP-QZTJIDSGSA-N 483.635 1.991 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(Cl)ccc2OC)CC1 1740690894 PRIAWHPCEBRKTQ-HNNXBMFYSA-N 466.995 1.354 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2c(CC)noc2C)CC1 1740698138 SZTKLIYJPUJAHV-UHFFFAOYSA-N 497.625 1.858 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@](C)(O)c2ccccc2)CC1 1740703602 YGWNIDOTTUZTAJ-IZZNHLLZSA-N 481.597 1.804 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC(=O)NCC(F)(F)F)CC1 1740707684 MAKNYKSEGKUAOI-UHFFFAOYSA-N 492.502 1.810 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1740708512 RXPLZXICKMDAFP-HXUWFJFHSA-N 499.637 1.472 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740989226 FPVRERUMFZRMIY-WBVHZDCISA-N 461.544 1.489 30 10 JDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1)N(C)C 1741862328 GKDLJVSHAHEOKG-CTNGQTDRSA-N 453.591 1.837 30 10 JDEE Cc1n[nH]cc1CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1742052180 CRANUTUFXQCTKS-KRWDZBQOSA-N 498.613 1.863 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1747425324 FBJJVUZTAGUSGT-FDDCHVKYSA-N 488.614 1.873 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1748700191 ZCAXMHXEKNBIIZ-QGZVFWFLSA-N 475.575 1.927 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1748801639 DBKWZQPZMGPRGR-SBUREZEXSA-N 486.598 1.493 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1748810646 ZBSVMGRGEYUKPQ-IEBWSBKVSA-N 491.017 1.879 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCN1CCN(C(C)=O)CC1 1748828974 QPNLTGVJQXDZMD-UHFFFAOYSA-N 472.391 1.283 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCS1 1748891588 ASSBUUVXVDWLBU-YLJYHZDGSA-N 451.618 1.360 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1748892876 XPZPWRIBAZWAMW-XZOQPEGZSA-N 481.622 1.544 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1748979134 VJMDJIHXJWKRRT-KRWDZBQOSA-N 486.374 1.451 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)Nc2c(C)cccc2C)CC1 1749001238 MZRFNERKORPCTA-UHFFFAOYSA-N 479.585 1.638 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1749001499 UJXXLYIYBGIOPS-ROUUACIJSA-N 498.575 1.917 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)c2cccc(C)c2)CC1 1749004338 GMQNVGXQEGTBQL-OALUTQOASA-N 486.642 1.966 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1749018602 AOZKQCUNDFLEBS-LJQANCHMSA-N 456.591 1.744 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749402590 PMMVMULKRMPQMD-NRSPTQNISA-N 478.663 1.525 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1749658675 UJONQLDAIJWFBC-GOSISDBHSA-N 465.602 1.599 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2COC)C1 1749711784 CGOHZORXGNFBHP-RTWAWAEBSA-N 491.614 1.587 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS(=O)CC1 1749721777 TWCKQCNUFUOUPT-UHFFFAOYSA-N 486.019 1.031 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1749732276 UUSHQTRMEDXQAJ-KRWDZBQOSA-N 492.577 1.304 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=C)C)c1 1760128859 VBKKCAVEXYFKRH-LJQANCHMSA-N 472.571 1.243 30 10 JDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1760151973 SNRJQIBTSKWBJW-UHFFFAOYSA-N 456.576 1.250 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1760184347 VZCFUANFEQSKBG-PXNSSMCTSA-N 468.583 1.748 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCN1CCOCC1(C)C)[C@H]1CCS(=O)(=O)C1 1760185339 VNOLEJITKJTHFP-SFHVURJKSA-N 458.588 1.078 30 10 JDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCC(O)CC1 1760232999 HNGUVAKDPBTYRQ-UHFFFAOYSA-N 452.607 1.758 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCO[C@H]1C 1760252993 LBZRQQORWXONTM-OVCNXMPXSA-N 463.579 1.675 30 10 JDEE C=CCCOCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760447992 VGUREABOCALUMN-WOJBJXKFSA-N 482.585 1.775 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1F)C1CC1 1760521777 CRWOWELXXDMGRH-IBGZPJMESA-N 492.577 1.221 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1760524414 XDIDFLMXIDMWTO-NJDAHSKKSA-N 487.649 1.101 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(C(N)=O)(c3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760528347 AAYFQMUSLIQYBM-SANMLTNESA-N 496.612 1.644 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@H]2CCO[C@@H](C)C2)C1 1760542034 CGLFEHHYFZQQRC-NMLBUPMWSA-N 483.635 1.598 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(=O)OC)C1 1760557481 MUXBBTVNVAKYOM-QGZVFWFLSA-N 450.565 1.130 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760557556 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1.352 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1358930574 XXNDKLZOKHDEPJ-QGZVFWFLSA-N 482.607 1.082 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1358960494 FXXKVFGPIDYCGD-IBGZPJMESA-N 454.556 1.557 30 10 JDEE C#CCN(c1nnc(C2CC2)n1CCc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1358961568 BKGUYWDWLBUEMK-FQEVSTJZSA-N 455.584 1.727 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)s1 1358994303 JJYGALNBCRMUHW-INIZCTEOSA-N 468.004 1.837 30 10 JDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1359012842 AVIZYWFOEVYTTP-WOJBJXKFSA-N 459.620 1.803 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NCC)CC1 1359106643 LUPHWCYWRGBAQS-HAGHYFMRSA-N 462.595 1.835 30 10 JDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1359270450 PVMUMTFFDQVBEF-UHFFFAOYSA-N 463.542 1.653 30 10 JDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1359287806 XMIVRHCAFQCWFQ-GOSISDBHSA-N 464.636 1.279 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1359296201 AFXCJQKTSZKBDT-SFHVURJKSA-N 470.574 1.423 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1359303417 NFSYROQCTWJYFB-MHECFPHRSA-N 455.559 1.758 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1359327064 RAKONAQSYVUHQR-KRWDZBQOSA-N 498.650 1.710 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1359327137 SXLGFRLECYROGQ-UONOGXRCSA-N 451.515 1.897 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1359342937 IEFVYILLNXOZDR-OAHLLOKOSA-N 495.593 1.994 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H]1CCOC1 1360703975 DYHRZJFNFJHTJI-WBVHZDCISA-N 477.566 1.262 30 10 JDEE CN(C)c1cccc(S(=O)(=O)N(C)C)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1459801769 ANVMBZYPIQIUNN-MRXNPFEDSA-N 455.540 1.866 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N1CCOCC1 1507532356 KRLUNIIWYCNKAC-QZTJIDSGSA-N 460.579 1.709 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCc2n[nH]c(C)n2)c1 1507547241 KECSQEVVEFUQPI-UHFFFAOYSA-N 461.530 1.240 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@H]2CCCCO2)c1 1507549060 YGNWJXMEEBDXJN-FXAWDEMLSA-N 488.614 1.904 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1507634369 NAZOQKFNVNFITM-RBUKOAKNSA-N 464.975 1.564 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1507634578 ZEOSOALLASQWCB-RBUKOAKNSA-N 458.588 1.696 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCO[C@H]1C 1507665195 LHPOBGCDURMRNZ-HTAPYJJXSA-N 456.572 1.241 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCO[C@H](C)C2)CC1 1507733545 CCEDKADPSHOUCV-QZTJIDSGSA-N 458.607 1.977 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC(N)=O)CC1 1507751017 BGOYOPBZJUWMII-UHFFFAOYSA-N 465.583 1.650 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1507751329 HIFOQAGOJQPRIN-SFHVURJKSA-N 479.610 1.863 30 10 JDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1507835433 ARQAPYGOEQBROD-SFTDATJTSA-N 489.665 1.636 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N2CCCCC2)C1 1507844201 DXZFRFUDDPCYJY-UXHICEINSA-N 482.651 1.268 30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1507877584 KTQSZJKCYWPNPY-JOCHJYFZSA-N 460.604 1.418 30 10 JDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC12CC(NC(=O)OC(C)(C)C)(C1)C2 1507967182 CUEGQPBAOBYXQD-JAGHRAMZSA-N 454.597 1.958 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCS(=O)CC1 1508075580 XJOKBOJHDXDZKE-UHFFFAOYSA-N 456.341 1.718 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1508085990 JLZYLMOGZFMERQ-GOSISDBHSA-N 457.579 1.197 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](Cc3noc(C)n3)C2)nnc1[C@]1(OCC)CCOC1 1508099059 UAVSGBVRDBJOPA-JTSKRJEESA-N 459.551 1.383 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)cc2F)C1 1508111114 WJUQNDGBMGPSPS-WMLDXEAASA-N 453.540 1.866 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](CCC)C1 1508140410 NRKQLIYLWAFSJJ-QGZVFWFLSA-N 486.598 1.798 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1508143821 ODDZMORTHRSJMD-QFIPXVFZSA-N 478.619 1.515 30 10 JDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1)OC 1518720618 HBDPTZBGNAKPOU-DNQXCXABSA-N 497.644 1.709 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(=O)OC)ccc2OCc2ccccc2)C1=O 1525250358 OISKPAOPSUJDPG-UHFFFAOYSA-N 451.435 1.968 30 10 JDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1539171243 IYWPLNFLLODLFR-SFHVURJKSA-N 477.569 1.800 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1539229731 HPPPZMPZGSOZBG-GOSISDBHSA-N 469.571 1.277 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN(C)S(=O)(=O)CC 1539267117 WLCAPFRMKQSLTB-HXUWFJFHSA-N 457.556 1.535 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC1CC1 1539268326 MVHALEQYSNWRNS-LJQANCHMSA-N 491.614 1.484 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncn(C)n1 1539326732 ZEKFHPLFJOFJOW-KRWDZBQOSA-N 454.535 1.226 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1539343590 NBDGFSUJQIYHTP-CTNGQTDRSA-N 474.631 1.730 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCN2CCN(C(C)=O)CC2)CC1 1539474528 SFVSTVZQXXSDTN-UHFFFAOYSA-N 463.586 1.075 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)Nc2ccccc2)CC1 1539477567 RAXWMYUQTZWSJO-LJQANCHMSA-N 463.542 1.224 30 10 JDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1539513048 KWSSXDWUWUNZSJ-MRXNPFEDSA-N 451.560 1.499 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCC)CC1 1539632696 SWBMOKMTJLFALI-UFYCRDLUSA-N 479.647 1.904 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1540867674 DHAYGQOGLADCPE-UHFFFAOYSA-N 482.570 1.963 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@@H]1C 1540869563 QBDJWFYOZRLNOJ-KRWDZBQOSA-N 492.584 1.595 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCC(=O)N2)C1 1540885247 FBGUVHINHXDRCJ-QZTJIDSGSA-N 474.587 1.255 30 10 JDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1552712764 HVCXRUFALUNQBY-XMMPIXPASA-N 478.557 1.693 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2CCCn2cccn2)C1 1555812505 FIPSRKNGGFMTRT-GOSISDBHSA-N 462.580 1.028 30 10 JDEE CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)co1 1583847600 ATPXETLJXUGHTA-UHFFFAOYSA-N 454.512 1.754 30 10 JDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1)[C@H]1CCS(=O)(=O)C1 1588030480 WEQYSUWMCFKGJW-ICSRJNTNSA-N 472.615 1.697 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1588041551 XTKDWAURNJIHON-SFHVURJKSA-N 450.528 1.113 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1588049802 LIVYXEHCQVGXBZ-CVEARBPZSA-N 470.555 1.503 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1593636390 LAPWWYCWYDTBIR-DLBZAZTESA-N 484.623 1.633 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCOC2)C1 1595648778 IIKFEUSKRVFSOG-VGOFRKELSA-N 477.587 1.497 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)c1 1622268424 RTMOKPYNEARAMH-LJQANCHMSA-N 457.552 1.620 30 10 JDEE COc1cc(OC)cc(N2C[C@H](C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2=O)c1 1624813288 FOCZTLPTYMAHSI-SPYBWZPUSA-N 458.515 1.932 30 10 JDEE COC(=O)[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1c1ccc(O)cc1 1627692979 AWCKFBNFRKHWOO-VOBQZIQPSA-N 457.508 1.346 30 10 JDEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 1661408175 OKYUJNUCBKJAAZ-LJQANCHMSA-N 452.554 1.685 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCCCC2)nc1 1689965757 CLKZWQHYSVUNEA-LJQANCHMSA-N 473.603 1.114 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1689982368 LKINEMUVBKCHDC-KKSFZXQISA-N 459.528 1.070 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1689996074 DMVONGNSYKZMCC-AYLZSAKASA-N 490.651 1.957 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCCC)nc1 1690205883 APNAAXGYRQAWEW-WMZHIEFXSA-N 488.614 1.835 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN(C(C)C)C1 1690206549 USAMVAIZXPUPJU-TXTKFYIRSA-N 478.663 1.724 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1690300680 ICLUUISRJVGDQN-DLBZAZTESA-N 454.597 1.072 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C)c(C)s1)C1CC1 1690545203 LTESWKWIDGTJER-INIZCTEOSA-N 452.606 1.887 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCC1CCOCC1 1690668810 KDKQRABSJXFROM-UHFFFAOYSA-N 465.558 1.747 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1690669064 SGZRHVIYJFNRIF-JKSUJKDBSA-N 458.567 1.720 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1690720399 HSTKBBUBQJGEHQ-NRFANRHFSA-N 497.625 2.000 30 10 JDEE Cc1cc(C(=O)NC2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)N(C)C)CC2)no1 1692954111 BNAZCRNCVFOTNK-UHFFFAOYSA-N 462.514 1.600 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C2CC2)N(C)C)CC1 1696592534 BRDLNLABQGBIKR-NRFANRHFSA-N 450.591 1.367 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2[nH]ccc2c1 1705494899 HXQGNVFOUUGDNF-OXJNMPFZSA-N 456.572 1.793 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1705562894 MFFPZXDFORBFLN-UGKGYDQZSA-N 455.540 1.249 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc(C)c(C)s1 1705598043 ZNZHRHHHPRZSKQ-GOSISDBHSA-N 476.628 1.390 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC[C@@H]1C 1705674310 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497.021 1.734 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1507897588 SCCYCIQRFZHELB-YJBOKZPZSA-N 478.594 1.774 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cc(C)no2)CC1 1507952875 BQDBGLOSXOAGSB-IBGZPJMESA-N 479.607 1.196 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)COC)CC1 1508133964 ACSVBCLVSPZRAJ-UHFFFAOYSA-N 467.979 1.494 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1508134953 APIFHOHRDQWAIO-YLJYHZDGSA-N 485.566 1.454 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1508148973 ZQPAMLDICXULII-ZWKOTPCHSA-N 453.609 1.719 30 10 JDEE CNC(=O)C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1517436076 AXDVNZNADZAYRB-LJQANCHMSA-N 464.574 1.195 30 10 JDEE COC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)OC 1518711534 HZSNKLGELQUNMM-SFHVURJKSA-N 471.537 1.513 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1519748563 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C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1539829433 YPFHOUJBJNVHGO-OFJJUDJNSA-N 451.618 1.972 30 10 JDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1539952810 JYDWHDJHJFYHFC-QGZVFWFLSA-N 475.623 1.485 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1540036481 NPRUCWZBMSDURZ-ZWKOTPCHSA-N 491.618 1.171 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3O[C@@H]3CCOC3)CC2)cc1 1540728443 HQLCZBUMXNIZGL-HXUWFJFHSA-N 455.536 1.802 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1540900419 VDQIPFDIWWRKCJ-UHFFFAOYSA-N 490.977 1.181 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCOC2(CCCCCC2)C1 1540906898 GCTVDMCXPLMQKS-UHFFFAOYSA-N 465.620 1.931 30 10 JDEE CC(=O)N1CCN(CCn2c(N(C)Cc3cccc(C#N)c3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1541007686 YVJRLNNBRYOTTQ-AREMUKBSSA-N 495.628 1.991 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)Cc1ccc(F)cc1 1541115920 HBAQUELYDXHYCE-FXAWDEMLSA-N 493.609 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457.550 1.776 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@@](C)=O)CC1 1588646946 PUHHIFHWFTZRSE-UGAOPGRHSA-N 481.619 1.584 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@](C)(O)C2CC2)CC1 1588899861 YSLWJXUTROEQEJ-HSZRJFAPSA-N 452.515 1.980 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](C)SC)CC1 1588908034 KBXIFQMLYVNLDS-MRXNPFEDSA-N 465.587 1.638 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1589482886 MIRYFIHOHRQAMU-FPOVZHCZSA-N 473.622 1.142 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1594627744 XAHCIWSQSIHXFI-MOPGFXCFSA-N 468.624 1.272 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)CC[C@@H]2C1)C(C)C 1595171652 XPTBYRQXHLTVSO-PWRODBHTSA-N 490.674 1.690 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(n2ncc3ccccc32)CC1 1595475502 DCSCYAFSLRNXCX-INIZCTEOSA-N 486.602 1.382 30 10 JDEE 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1.447 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)s3)O[C@@H]2C1 2284061766 GUXVJWLGAOLOME-BFHYXJOUSA-N 481.380 1.784 30 10 JDEE COC[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2289503967 HNDHWLRCKCKWPD-GJZGRUSLSA-N 464.372 1.711 30 10 JDEE COc1ccc(C=C2Oc3cc(OCC(=O)N[C@@H](CCC(N)=O)C(=O)O)ccc3C2=O)cc1OC 2297473304 FOBAFZXIVFAJRI-INIZCTEOSA-N 484.461 1.534 30 10 JDEE CC1(C)OB(c2cncnc2C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)OC1(C)C 2312861606 QXOVVZFLICEPLN-YTQUADARSA-N 464.331 1.915 30 10 JDEE COc1ccc(OC)c(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1 2327842518 LQVUTLLKMYKBIH-AWEZNQCLSA-N 460.560 1.869 30 10 JDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CN=c1cc(B2OC(C)(C)C(C)(C)O2)c(F)c[nH]1 2345738576 DXDPUMKSJGHBHE-HNNXBMFYSA-N 450.364 1.905 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 2362355917 NELLTASDTKUZIC-CABCVRRESA-N 464.372 1.521 30 10 JDEE Cc1cc(C)nc(N/C(=N/C(=S)NCCCN2CCOCC2)N2CCN(c3ccccn3)CC2)n1 14159825 AWGGVVYJLKACGV-UHFFFAOYSA-N 497.673 1.675 30 10 JDEE COc1cccc(/C=N/Nc2nc(SCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)c1O 20834543 SQSUVACTPWUVDQ-SRZZPIQSSA-N 491.555 1.733 30 10 JDEE COCCCNC(=O)CN1CCN(/C(=N/c2ccc(C(=O)O)cc2)NCCc2ccccc2)CC1 21047139 PSNWIUYDEIMKQE-UHFFFAOYSA-N 481.597 1.975 30 10 JDEE Cn1c(=O)n(CCC(=O)N2CCCC2)c(=O)c2cc(S(=O)(=O)Nc3ccc(C#N)cc3)ccc21 33139558 LREAZRQLBBKLMM-UHFFFAOYSA-N 481.534 1.385 30 10 JDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nnc(SCC(=O)c2ccc(Br)cc2)n1N 59914425 LFCMJBGFRVJKMM-ZVBGSRNCSA-N 493.391 1.981 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c1 749374401 CXACLCAYFGREHK-LJQANCHMSA-N 454.533 1.624 30 10 JDEE C=CCOc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)cc1OC 1140718804 IROBPNJBLXRHHD-VQHVLOKHSA-N 457.574 1.390 30 10 JDEE C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1194496886 ABOPZPMXRUTPJJ-KNQAVFIVSA-N 478.615 1.569 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCN(CC)CC1 1286287680 CGSZGSZSYINTKH-PMACEKPBSA-N 476.629 1.924 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1C1CCCCC1 1286296063 MGOBMMRBNZXOTG-JBACZVJFSA-N 478.663 1.866 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1csc([C@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1286379830 CQSSLAZXUXAPNH-RDJZCZTQSA-N 492.627 1.353 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1286383064 LADUDZYBICNESW-DXIQSLLYSA-N 464.588 1.638 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1286389808 RDWCOWXYCQZBDH-MSOLQXFVSA-N 497.625 1.951 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(-c2ccccc2)c1C 1286398539 ZJWKNDPNLYYQEN-GOSISDBHSA-N 465.583 1.812 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1286462696 RTIRYKOTQRSLCP-UHFFFAOYSA-N 498.609 1.586 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCNC(=O)C(C)C)CC1 1286489511 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1290717364 VCDHGPQHTGVAJT-HNNXBMFYSA-N 452.554 1.848 30 10 JDEE CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cc[nH]n1 1298727197 CXVAFMJUHUAPLX-UHFFFAOYSA-N 477.573 1.517 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1300481863 CCEUWOGWTMPKNR-AWRGLXIESA-N 493.674 1.820 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1300502361 RYLWFUGJXLJGEJ-SFHVURJKSA-N 487.582 1.093 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1300557446 TZUGKYHSKOXEHR-GMAHTHKFSA-N 498.653 1.733 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)NC(C)C 1300560725 IQGBKGZDQWOGNA-UHFFFAOYSA-N 467.393 1.826 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1300600879 BECNLAFIXKOZMX-SNVBAGLBSA-N 467.905 1.802 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CC(=O)N1CCOCC1 1300657187 VRZLBZATMNVSSL-UHFFFAOYSA-N 462.348 1.652 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 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1358902041 CWLKTTABMTYLOP-HXUWFJFHSA-N 461.526 1.987 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CC(F)(F)CO2)c1 1358902686 WNBSDOBCKUJHSA-FUHWJXTLSA-N 493.536 1.661 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1358967372 JFELOQXDUZWDDF-QGZVFWFLSA-N 462.572 1.917 30 10 JDEE C#CCSCCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@]1(OCC)CCOC1 1359062155 XKCGZOUZLLXIJD-QHCPKHFHSA-N 467.599 1.890 30 10 JDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC)C1 1359084318 DLKDPSYSAZTHSD-ZIAGYGMSSA-N 464.386 1.135 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1359084793 RSWWBHKQDTXOMF-JYJNAYRXSA-N 489.440 1.193 30 10 JDEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCNS(C)(=O)=O)CC1 1359179369 SUGOCQKMROIZNJ-GOSISDBHSA-N 498.650 1.928 30 10 JDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1359293432 PSZADCNRGGVYQR-OAQYLSRUSA-N 488.596 1.943 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCCN(C(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359335689 RSYLFEFKKUWWNO-JOCHJYFZSA-N 469.652 1.840 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1507634368 YLONVFJCIJKOGI-GJZGRUSLSA-N 466.514 1.575 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NC1CCCCC1 1507644899 PONHSBPFFMJQDU-UHFFFAOYSA-N 482.610 1.717 30 10 JDEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CCS(C)(=O)=O 1507654512 JCRWBFGJOBKCEK-UHFFFAOYSA-N 451.346 1.737 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCSCC1 1507709816 BCIZNXYGRAKHRC-UHFFFAOYSA-N 481.626 1.810 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(C)Cc2ccc(F)cc2)CC1 1507733773 LYLPQSDCBPLZQQ-UHFFFAOYSA-N 495.603 1.751 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)CC1 1507735396 VFPCCOFZCKICSH-UHFFFAOYSA-N 480.594 1.750 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC(=O)N(C)Cc2ccccc2)CC1 1507741500 VLPNAQZEEABUFX-OAQYLSRUSA-N 464.570 1.754 30 10 JDEE 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455.531 1.509 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1749226503 RERVRRKBGITPCH-HXUWFJFHSA-N 467.574 1.583 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1749230606 ZXCDGHQPYJRPCQ-LJQANCHMSA-N 491.589 1.874 30 10 JDEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749260519 ANEMJTFBNMHILH-INIZCTEOSA-N 474.949 1.642 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](CCOC)C1 1749670585 VANPZUVKZZOXGS-SFHVURJKSA-N 454.579 1.617 30 10 JDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1749670658 UOPIXNLJGRGGRK-KDURUIRLSA-N 457.623 1.474 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1749731002 YOCOXJWVJSBVRT-UHFFFAOYSA-N 498.613 1.838 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1749738408 MGXUSFDBLGQFPA-OALUTQOASA-N 464.592 1.125 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 1749883939 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729331370 MTFNUNSIANRPED-BHIYHBOVSA-N 482.624 1.815 30 10 JDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc2c(c1)CCC2 729668952 GQXGIILCTZGAMZ-UHFFFAOYSA-N 467.554 1.817 30 10 JDEE NC(=O)CSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cccc([N+](=O)[O-])c3)n2)s1 1084232338 MTXLCSCQGLVSBJ-UHFFFAOYSA-N 494.544 1.319 30 10 JDEE COc1cc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)ccc1OCC(=O)NC(C)C 1127219807 ACSXDOBNBXMIPD-INIZCTEOSA-N 452.515 1.611 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C(=O)N(C)C)c1 1286294889 GIILBEVHFUBTMB-XLIONFOSSA-N 488.614 1.013 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCN2CCSCC2)c1 1286311644 LFRNNWGBCAGDLH-UHFFFAOYSA-N 481.626 1.506 30 10 JDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1286355931 FYEHJVNSZVUOFC-HSZRJFAPSA-N 468.650 1.784 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCCN1CCCC)[C@@H]1CCS(=O)(=O)C1 1286390145 XVAQPTQGWTVMAO-AQNXPRMDSA-N 476.647 1.511 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(COC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1286391238 DCUKMUTUUCPGFW-RBUKOAKNSA-N 466.604 1.590 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1286391916 JTSIJHVJRWQEAK-MPQSDHOMSA-N 479.628 1.191 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC1CCS(=O)(=O)CC1 1286467578 YCMVFENMSKYMKW-UHFFFAOYSA-N 456.572 1.427 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCn2c(O)nc3ccccc32)CC1 1286470216 VFAPZQUIAVIYJN-UHFFFAOYSA-N 464.574 1.707 30 10 JDEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCCN(C)S(=O)(=O)CC)CC1 1286476691 DXOQPUZHCJPEQQ-UHFFFAOYSA-N 483.642 1.864 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(CC)CC)cc2)CC1 1286481099 RXUDYQPKLNNPMK-OAQYLSRUSA-N 470.643 1.830 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286546677 KXXYAGSNRHKYQV-KSZLIROESA-N 468.624 1.163 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286564334 GCGUXLFRGHVXTP-UYAOXDASSA-N 460.579 1.067 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN(C(C)=O)C1 1286581143 GTFPROLJJINPMS-RTBURBONSA-N 468.624 1.272 30 10 JDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCOCC1(C)C 1286718634 QXSMBUGSESPLGW-UHFFFAOYSA-N 462.620 1.928 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCS(=O)(=O)C1 1286740415 LTULCQVIOVASIA-RBUKOAKNSA-N 494.639 1.816 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286776183 IDQDJKJJTNBNPE-IBGZPJMESA-N 491.637 1.763 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1286781222 PLFWLGJVYPEIER-UHFFFAOYSA-N 486.573 1.350 30 10 JDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286835356 VRGBDBUSQPTTHW-AWEZNQCLSA-N 455.631 1.812 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1300364942 PBDNRCGUFPPTQW-LJQANCHMSA-N 470.599 1.409 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CCCN1CCN(c2ccncc2)CC1)[C@@H]1CCS(=O)(=O)C1 1300484957 SNURBKQKHUQALE-JOCHJYFZSA-N 485.658 1.636 30 10 JDEE C#CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1300489545 ORBLJKHQRXZICZ-QGZVFWFLSA-N 458.935 1.300 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN1CCOCC1(C)C)[C@H]1CCS(=O)(=O)C1 1300495242 GCVIJARPFJENHT-OALUTQOASA-N 465.620 1.257 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCSC1 1300648588 GDGLSOCSWSTVNV-DYESRHJHSA-N 464.588 1.827 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)[C@@H](C)[C@@H](C)O3)CC1 1300683538 PIWWTMYTNULCSX-OKZBNKHCSA-N 472.615 1.576 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1301475770 XVAOGSMFVJCMKI-MRXNPFEDSA-N 461.567 1.262 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1301478061 HHZVMEPXGRWLCT-HOYKHHGWSA-N 468.558 1.834 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)cc1OC 1301501657 ZPDWVDUOBRJWED-MRXNPFEDSA-N 463.560 1.136 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cccc(C(=O)N(C)C)c1 1303822580 CZCWQQNAJCTPBL-HNNXBMFYSA-N 459.576 1.378 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 1311640164 BHUITJFQWKWQDV-KRWDZBQOSA-N 458.519 1.195 30 10 JDEE COCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1315767591 ASCPKGDBMAZVIZ-KRWDZBQOSA-N 455.567 1.142 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC(=O)NCc2ccco2)c1 1358902013 CJQACEHOQHVYEX-SFHVURJKSA-N 462.510 1.748 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1358955780 TYDCOPLMQKKVQP-DYESRHJHSA-N 453.609 1.230 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(C)cc1 1358979703 UYXLTTQVDIHSNJ-FQEVSTJZSA-N 457.556 1.071 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccc(F)cc1 1358994293 JGRUXFVXYZROEB-RTWAWAEBSA-N 489.573 1.601 30 10 JDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1359012826 AQIJFMBRFMYNIY-GBESFXJTSA-N 472.590 1.884 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)CN2CCCC2)CC1 1359037902 CJVOOTUOUIMZKZ-IBGZPJMESA-N 455.632 1.757 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1359096561 DHWHTRRPMJIBTF-WEMPKCCASA-N 473.622 1.247 30 10 JDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccccc1S(=O)(=O)N(C)C 1359238607 QZNGQRGQJZOGLJ-UHFFFAOYSA-N 458.544 1.927 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1359295916 RDKYUVBUMBGMLE-PKOBYXMFSA-N 470.574 1.421 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1359329000 VEGQHXUMLWSYEH-QAPCUYQASA-N 468.601 1.157 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1359329338 GDKDQJGHTVTVCJ-LJQANCHMSA-N 484.582 1.435 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCS[C@H](C)[C@H]1C 1359330773 CMXMCRNEYYMQJF-ZIAGYGMSSA-N 453.590 1.937 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)CC[C@@H]2C1 1359334155 VMBWBDDIHVTBKU-OAHLLOKOSA-N 465.526 1.559 30 10 JDEE CC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1359394863 HEEUMGDQNPUHKG-WCWDXBQESA-N 477.569 1.648 30 10 JDEE C=CCN(CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 1459684108 CHJLUZUUWRPMGT-GOSISDBHSA-N 455.602 1.475 30 10 JDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCC(=O)NCc1ccccn1 1466388007 CWWCXTJSHBEKIS-GOSISDBHSA-N 457.556 1.358 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCO2)c1 1507550892 RRXMQDKMGKOJKK-IEBWSBKVSA-N 457.556 1.415 30 10 JDEE C#CCCCCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@@]1(OCC)CCOC1 1507576610 YTTQWKXTSJGXCD-GBXCKJPGSA-N 458.607 1.477 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507626777 HKOOKXIDQJLIBM-QGZVFWFLSA-N 490.582 1.131 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1507632206 YBQIBDPYLPWLMF-QGZVFWFLSA-N 472.596 1.926 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1507632922 QUVJDFOMHZAGGR-HOTGVXAUSA-N 484.550 1.133 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCn1cc([C@H]2CCOC2)cn1)[C@H]1CCS(=O)(=O)C1 1507633263 FHGCWPMHXYUODO-ICSRJNTNSA-N 474.631 1.894 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1507633821 IMSCCFJPQTXIQA-SFHVURJKSA-N 472.546 1.823 30 10 JDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1507726284 APNDAGJHHKYZAX-UHFFFAOYSA-N 457.600 1.404 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1507747414 XACKGILQYJCRAI-HNNXBMFYSA-N 483.689 1.655 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1507840336 ZIJCIPPLSFLHPR-SFHVURJKSA-N 489.602 1.002 30 10 JDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1507959128 HSCRFBIEUPQTDA-UHFFFAOYSA-N 465.562 1.818 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1508094091 YVIYQOHNUHLNNA-HXUWFJFHSA-N 477.363 1.624 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1508103284 GCSGGJUZBNPOTF-QZTJIDSGSA-N 480.612 1.417 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1508145249 KYIAHHYTTJDWHC-QGZVFWFLSA-N 476.559 1.618 30 10 JDEE COCCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1518938450 BNNMVJKBMJOAIK-KRWDZBQOSA-N 469.594 1.856 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1539206686 UTUWLSXRNQRDGY-LPHOPBHVSA-N 458.531 1.602 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1539213113 VZOPUSFDPMAETC-PWRODBHTSA-N 469.567 1.495 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539229404 CBQXPDGOTMTJDW-KRWDZBQOSA-N 477.612 1.323 30 10 JDEE C#CCN(c1nnc(CSc2ccccc2OC)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539230496 IAHIISCPGXGCTJ-QGZVFWFLSA-N 491.639 1.684 30 10 JDEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1539231682 UYDJSOQRJZEDDM-ZJPYXAASSA-N 481.619 1.710 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1539484334 LJKQCAHZQIACNW-OAQYLSRUSA-N 478.645 1.256 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1539498739 WHPQVELOPZEQBT-OWCLPIDISA-N 486.664 1.604 30 10 JDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1539510965 OWORVOMENQZXAD-IRXDYDNUSA-N 488.614 1.740 30 10 JDEE C=C(Br)Cn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539607618 JJALFRGWEOIWTA-HNNXBMFYSA-N 475.347 1.221 30 10 JDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1539682143 LUXGOMQAWNPWSF-HXUWFJFHSA-N 451.575 1.920 30 10 JDEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539816680 BVSYYGXNNNCDKL-UHFFFAOYSA-N 483.960 1.752 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1539983539 ZARHJFXAIBJWQQ-MRXNPFEDSA-N 459.638 1.792 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)C 1540135975 DXEGCHWTSBFAPI-PXNSSMCTSA-N 480.610 1.893 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](OCCOC)C1 1540876382 PKCZBEXAHNFDML-ROUUACIJSA-N 478.594 1.894 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1540897569 MURMALQEUCJHQR-FQEVSTJZSA-N 489.598 1.701 30 10 JDEE CC(=O)N1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 1540954584 FWMYGSRSLNVEQI-LJQANCHMSA-N 471.587 1.157 30 10 JDEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C1 1541272104 CMVXPJZPWYDJHB-LJQANCHMSA-N 487.630 1.697 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H](C)N1CCOCC1 1541673814 DTSMAGOWZRXKHH-GOSISDBHSA-N 484.580 1.474 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)Cc1cccc(F)c1 1545928692 HMXBDIXSKOFEPA-LJQANCHMSA-N 471.537 1.423 30 10 JDEE CS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1555814843 GFEPBLAHKXOHDK-UYAOXDASSA-N 488.614 1.798 30 10 JDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)C[C@@H](O)c1ccccc1 1567252301 FFGCWFCTZNTQPK-YSIASYRMSA-N 459.568 1.741 30 10 JDEE C#CCCCCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1587794059 ZUYJXYZVCHOOIL-HDICACEKSA-N 480.635 1.934 30 10 JDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1587817663 BVBUDHKKHWOKGG-UHFFFAOYSA-N 466.542 1.303 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588065294 WBAIBNAVSAYYNN-LJQANCHMSA-N 473.599 1.373 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1588750373 CRVGYTDNTRNRMH-DEOSSOPVSA-N 487.626 1.278 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCOc2ccc(OC)cc2)CC1 1588752499 STNCYJORZWYDRC-DEOSSOPVSA-N 455.559 1.773 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1589482888 MIRYFIHOHRQAMU-PZJWPPBQSA-N 473.622 1.142 30 10 JDEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1594608656 SSZVPVYPKNMWHF-QGZVFWFLSA-N 461.592 1.546 30 10 JDEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1594732962 JXJULELYUVXHQM-IRXDYDNUSA-N 464.567 1.504 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CC1 1595116108 PIJQOPHBEOVQBI-NFBKMPQASA-N 475.615 1.965 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1595466184 FZSFFSTXPCCEEH-UHFFFAOYSA-N 468.518 1.051 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1595475467 CPXMZOAQYCNWPP-MYYSRTQBSA-N 499.547 1.674 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1595550985 KJBBWUNCLKEMOW-KSSFIOAISA-N 481.525 1.339 30 10 JDEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)C1 1598027063 IBXGGBPKKMNWOR-NBGIEHNGSA-N 465.602 1.872 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@H]2c2noc(-c3ccccc3)n2)c1 1611436868 UVDCOLFWGQKESJ-IBGZPJMESA-N 452.492 1.862 30 10 JDEE CCNC(=O)C1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CCC1 1615918222 HRAQUFRHOHJYFV-UHFFFAOYSA-N 479.589 1.316 30 10 JDEE CN(C)CC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1617677652 HFUHLMKAWVVAJT-INIZCTEOSA-N 450.547 1.509 30 10 JDEE CNS(=O)(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 1618842731 BYLCZMZMTTZVMV-HSZRJFAPSA-N 498.613 1.915 30 10 JDEE C=CCn1c(SCC(=O)NCCC(=O)NS(C)(=O)=O)nnc1-c1ccc(Cl)cc1 1632814501 GMPDILPVTRUMLG-UHFFFAOYSA-N 457.965 1.459 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](c3n[nH]cc3C(=O)OCC)C2)ccc1F 1642477112 CICJFCMLWVUNDH-CQSZACIVSA-N 450.492 1.820 30 10 JDEE COC(=O)c1cccc([C@H](C(=O)OC)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1644910397 FBMIGKCJNZFVPV-HXUWFJFHSA-N 457.508 1.565 30 10 JDEE C#C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1)C1CCOCC1 1648931841 HQRBAEBTEYVAFJ-GOSISDBHSA-N 455.496 1.628 30 10 JDEE COc1ccc(C(=O)N2CCN(CC(=O)NCc3ccc(C#N)cc3)CC2)c(OC)c1OC 1657499536 HNHYMCASRHRILS-UHFFFAOYSA-N 452.511 1.658 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 1671417048 RZLQQZSFDAUOIP-QGZVFWFLSA-N 450.461 1.977 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 1673468727 JOVUYDMHKZNHCE-UHFFFAOYSA-N 459.366 1.450 30 10 JDEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1689955862 WFPWXAPQJPRQFO-XDOYNYLZSA-N 450.499 1.948 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Cc1ccc(OC)c(OC)c1 1689965996 IIJODDDVNKLVPK-UTKZUKDTSA-N 491.614 1.576 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCSC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689977814 DFCXYMHGQRFURR-LBPRGKRZSA-N 453.512 1.296 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689982293 KKCMUPMAEKVPTG-DPLHUUCSSA-N 493.674 1.679 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](N1CCOCC1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689985842 COJPFTHZMARFOB-AEFFLSMTSA-N 498.531 1.230 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(C)C 1690019298 FKLPMYCXVUQBCH-OAQYLSRUSA-N 471.583 1.519 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC(=O)NCC2CC2)CC1 1690142186 JRWHDSKEQNOYKG-UHFFFAOYSA-N 450.543 1.446 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccnc(OC(F)F)c2)CC1 1690375749 SMIPKEUDKMKBOZ-INIZCTEOSA-N 484.529 1.812 30 10 JDEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCN(C)C2)CC1 1690375824 VFYASGGMXCYPQG-WZONZLPQSA-N 462.595 1.810 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1690375852 VTCLKUXVIAHTCC-LNLFQRSKSA-N 453.609 1.971 30 10 JDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1690523255 XMLNOVVBMOLKLE-LJQANCHMSA-N 488.662 1.803 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@@H]1C 1690560736 ZUDWKCWLFLEWGF-UGKGYDQZSA-N 484.626 1.965 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2c(C)noc2C)C1 1690700363 RAJDBYVYPDKPAN-PKOBYXMFSA-N 480.591 1.240 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1690720315 FOFFFBJHTAWMDT-OAQYLSRUSA-N 470.599 1.719 30 10 JDEE C[C@H](CN1CCOCC1)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C#N)cc1 1692735000 FUTBFQRQHQLVJT-LJQANCHMSA-N 451.575 1.877 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1COCCO1 1698047627 HBZPTBGVLDJEFM-FQEVSTJZSA-N 477.525 1.865 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCCCCC1)[C@H]1CCS(=O)(=O)C1 1705562211 YVWQIYWKPJTVCP-SFHVURJKSA-N 486.598 1.637 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1705564986 DTDSIYOLBLQIOJ-LJQANCHMSA-N 466.567 1.331 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccc(C)cc1O[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1705568196 JCURNMGDUVMBKH-NHCUHLMSSA-N 488.610 1.966 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CCC(C)C 1705598649 NUBCCYYARSKRON-UGKGYDQZSA-N 465.620 1.261 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1CC1(C(N)=O)CCOCC1 1705619594 VYRNHVYHGLPWBX-VWLOTQADSA-N 485.560 1.991 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc(C)cn1 1705628721 NRRFOBWGLOQNRH-IBGZPJMESA-N 473.578 1.878 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1705641926 ZHANBVINBROHKC-SFHVURJKSA-N 468.549 1.949 30 10 JDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1705660263 QTLPUXKEWTUIIU-LJQANCHMSA-N 454.600 1.964 30 10 JDEE C=C(Cl)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1705752653 CABFODLQSJKUEV-UHFFFAOYSA-N 484.992 1.638 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Br)n1 1705876494 ZIJCXFRHGMYYNB-MRXNPFEDSA-N 497.419 1.995 30 10 JDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C[C@@]2(CCOC2)O1 1708175302 CZZQEJUTKBVLFD-JLTOFOAXSA-N 464.448 1.879 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722357924 BAHNXVLPUIBMAF-SFTDATJTSA-N 484.626 1.444 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1722361688 IXCZLTZGKFLTTN-OALUTQOASA-N 493.033 1.467 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722365623 DUZORIRNNMHBPI-HSALFYBXSA-N 470.599 1.159 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1csc([C@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1722368430 RKWYFFMVSAKIGQ-UXLLHSPISA-N 465.601 1.621 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCN2CCC)CC1 1722443946 CYPYQLDLJIOGNO-QUCCMNQESA-N 493.678 1.119 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NCCOC)CC1 1722507423 PBMXKKSLMCWHIW-DENIHFKCSA-N 471.606 1.149 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(=O)N(C)C)CC1 1722587911 DVSOMJKSJPBXSE-IBGZPJMESA-N 496.678 1.908 30 10 JDEE C=CCCOCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722622453 NCZGUHVDQAEFOS-FUHWJXTLSA-N 488.976 1.811 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc2ccccc2[nH]1 1722698410 FZFNQRWEVFMLOF-LJQANCHMSA-N 487.586 1.031 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1722700664 PHPIKONXOOHAFH-KDURUIRLSA-N 467.574 1.869 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1722701334 NFTCUBNOCBMQPO-JOCHJYFZSA-N 451.619 1.582 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(NS(C)(=O)=O)CC2)cc1 1722703376 ZXYPQHUVBIKPIS-UHFFFAOYSA-N 488.614 1.645 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1722711202 AZQXDAJPTYZDST-ZWKOTPCHSA-N 451.522 1.816 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@](C)(C(=O)NC)C1 1722724078 MKVOVCICKBGNTH-QHCPKHFHSA-N 483.598 1.898 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1722726746 BVXRCDKICDGMSL-GJYPPUQNSA-N 498.627 1.649 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1722729770 WUAWIFRMYLPCFN-WOJBJXKFSA-N 464.563 1.993 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1S(=O)(=O)N(C)C 1722866932 DJZJHJJZBZCRPG-WBVHZDCISA-N 480.616 1.075 30 10 JDEE CCN(C)C(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@@H](C)CC#N 1728265500 IALMZWZFKAKXGF-FQEVSTJZSA-N 452.607 1.859 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC1 1730749637 DCVUFBJOALBMAE-UXHICEINSA-N 459.572 1.741 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccnc1OCC(F)F)[C@H]1CCS(=O)(=O)C1 1740625897 JAMJLQSKECYIFX-IRXDYDNUSA-N 481.525 1.496 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1740653805 YTQHBAMULUFPST-UHFFFAOYSA-N 452.478 1.599 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC=C 1740657812 YUJUNFCDKNJGBC-IBGZPJMESA-N 491.614 1.650 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(N3CCOCC3)c2)CC1 1740689272 UGERZVPHZCJIQX-UHFFFAOYSA-N 479.629 1.837 30 10 JDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCS(=O)(=O)c2ccccc2)CC1 1740698490 VXSYVCMAZHOZMY-UHFFFAOYSA-N 464.595 1.883 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ncccc2Cl)CC1 1740700704 FQTCQNFKIDVEGI-UHFFFAOYSA-N 485.976 1.607 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccccc2)N(C)C)CC1 1740700866 LLYMXDUWRKOAPH-QFIPXVFZSA-N 477.613 1.783 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1740704318 LQHHTHYSJXOBPM-IBGZPJMESA-N 452.607 1.265 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCCN2CCC[C@@H]2CO)CC1 1740704560 SLVJXZZHGFZLMF-OAQYLSRUSA-N 465.602 1.543 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740736967 VMTWVJGVHDCEFJ-OAHLLOKOSA-N 496.410 1.872 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSCC1 1740760045 GDNZCYDUAHYTMY-ZACQAIPSSA-N 457.622 1.145 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1740887443 HWHUHLQFLGJGRS-JLHGSKIFSA-N 481.619 1.876 30 10 JDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1740936910 NPHZPUOIGSHLJP-RBUKOAKNSA-N 480.635 1.357 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740953083 VEDWJNUCNNYHIK-KRWDZBQOSA-N 477.363 1.351 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(C(C)=O)CC1 1740987090 OZOPKDOZZWCAIZ-UHFFFAOYSA-N 485.408 1.695 30 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496.678 1.657 30 10 JDEE C=CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)N1CCOCC1)C1CC1 1749511078 RVIXCNJQOWTQKE-UHFFFAOYSA-N 457.531 1.985 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)O 1749590552 ADAGOAVUCMAOLI-QGZVFWFLSA-N 453.565 1.210 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1749652053 GUTJRAYYPWPPJQ-LJQANCHMSA-N 478.351 1.379 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1749664039 FAUHANJYPPIIFQ-QGZVFWFLSA-N 486.573 1.986 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CCN(C)C(=O)C1 1749739471 CEWDHAHGLWXZEV-UHFFFAOYSA-N 498.403 1.499 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCCCCC1 1750966102 BZWSMJQGHGNRKU-IBGZPJMESA-N 480.621 1.669 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1760180560 HOIWTGYXHOIIRW-INIZCTEOSA-N 491.524 1.842 30 10 JDEE C#CCN(c1nnc(C2CC2)n1CCS(=O)(=O)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760186897 GWIMZCJSGXWGHR-LJQANCHMSA-N 462.597 1.397 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1760187560 KFARSZGTIYEARN-RTWAWAEBSA-N 485.610 1.897 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1760254482 YCCRVRNKJPXYFX-RTBURBONSA-N 465.668 1.154 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1760346113 IQOUDZQYNIDASP-OAQYLSRUSA-N 495.694 1.182 30 10 JDEE C=C(Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCNS(C)(=O)=O)c1ccccc1 1760360596 HGMXLKSOEIDLLP-UHFFFAOYSA-N 455.544 1.624 30 10 JDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1760506203 SBBWRYHDPRXUDW-MRXNPFEDSA-N 471.993 1.837 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1760524827 KQYUPAAAWLQCBZ-FQEVSTJZSA-N 465.558 1.590 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](OC)C2)cc1 1760529662 JHTFWKMZMKQQDS-WOJBJXKFSA-N 477.587 1.449 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1760530470 QDSUDZUQXAESMN-XUVXKRRUSA-N 473.622 1.249 30 10 JDEE Cc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)c(C)c1 1761768839 DRGKTVYYCXAADU-UXHICEINSA-N 474.587 1.199 30 10 JDEE CN(C)CC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1768506212 BITWEQWUAJYABG-UHFFFAOYSA-N 465.606 1.582 30 10 JDEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCNC=O)cc(OC)c1O 1862612137 BVUGSIVGASXHQM-OAQYLSRUSA-N 498.488 1.895 30 10 JDEE C#CCOc1cn(CCCCN2CCCC2)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870563706 LPMWLWKQYSEBNL-UHFFFAOYSA-N 450.587 1.849 30 10 JDEE CCn1c(=O)c2cc(S(=O)(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)ccc2n(CC)c1=O 1891878158 YAQWJSZVSOFPLC-HNNXBMFYSA-N 484.538 1.097 30 10 JDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(CNC(=O)C(F)(F)F)C3)s2)OC1(C)C 2247950270 AHFMINOIRGVHDL-UHFFFAOYSA-N 454.301 1.346 30 10 JDEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267099180 IKJWJGPDWJPAEG-AWEZNQCLSA-N 450.345 1.417 30 10 JDEE Cn1nc(C(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 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JDEE Cc1nn(C)c(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c1B1OC(C)(C)C(C)(C)O1 2282575652 GDTZTIUILXBLHW-LJQANCHMSA-N 454.380 1.659 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 2282617288 FSORLVCNXXJZGO-HNNXBMFYSA-N 463.388 1.881 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(O)CC(NC(=O)OC(C)(C)C)C1 2282694338 GOJRTLRTLMGRJT-UHFFFAOYSA-N 463.384 1.955 30 10 JDEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283072763 TZSHGHVBLAGNCC-ZNMIVQPWSA-N 462.356 1.576 30 10 JDEE O=c1c(Br)c(NN=Cc2ccc(O)c([N+](=O)[O-])c2)cnn1[C@@H]1CCS(=O)(=O)C1 2322659852 XSXQKYLDJYCPOW-SNVBAGLBSA-N 472.277 1.425 30 10 JDEE CCCNC(=O)CSc1nnc(CCOC)n1N=Cc1cc(OC)c(OC)cc1OC 2331260249 RFHNUQFSJDNPGU-UHFFFAOYSA-N 451.549 1.993 30 10 JDEE C=CCCOc1ccc(-c2nnc(CCC(=O)N3CCN(CC(=O)N4CCCC4)CC3)c(O)n2)cc1 34764252 MPDKZAOALYDQPU-UHFFFAOYSA-N 494.596 1.898 30 10 JDEE CCc1cccc(OC[C@@H](O)Cn2c(N/N=C/c3cccc(O)c3)nc3c2c(=O)n(C)c(=O)n3C)c1 606630417 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HWDLRUMFZIEBSV-UHFFFAOYSA-N 467.570 1.851 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCOCCN(C)C)CC1 1286494047 RAUZOTFXYFTMTG-QFIPXVFZSA-N 482.585 1.335 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(=O)N1 1286744817 MXAFOKWNWUZKNP-IEBWSBKVSA-N 492.577 1.221 30 10 JDEE C=CCn1c(Cc2cccnc2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1286775927 YMFJRYSFXQXBMY-KZNAEPCWSA-N 474.587 1.576 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1286817051 OZXZDNFDGDJHCB-GOSISDBHSA-N 458.588 1.895 30 10 JDEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286827435 OBLIUPUWLFRWFP-UHFFFAOYSA-N 486.598 1.766 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1286848884 JTQQCWFULKSIBH-MLSMKVKPSA-N 478.557 1.480 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CC[C@]2(CCOC2)O1)[C@H]1CCS(=O)(=O)C1 1300478770 AXBSNJOFCRYFPB-SFYKDHMMSA-N 493.630 1.161 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300489174 JXGCELITKVKREQ-HSALFYBXSA-N 475.615 1.973 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1300493851 WNHSCTKWNYOINE-YDHSSHFGSA-N 471.583 1.154 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(C(N)=O)CCOCC1 1300509086 FNYVDSOZUYTZSO-UHFFFAOYSA-N 468.945 1.216 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1CC1(O)CCS(=O)(=O)CC1 1300654824 IRPGQBDQSGXTOC-UHFFFAOYSA-N 452.964 1.624 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2c(CC)nn(C)c2OC)CC1 1300706524 OZUZMGDKUAKVBP-UHFFFAOYSA-N 451.579 1.248 30 10 JDEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1301231905 SAHVGYCTXCKCAB-UHFFFAOYSA-N 496.612 1.948 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)COCCO1 1301410404 FGAIDQBEUSXKHA-DENIHFKCSA-N 495.602 1.245 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN(C)CC(F)(F)F)C1 1301555456 BVCHTVSOXUXABI-HOTGVXAUSA-N 465.542 1.846 30 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10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1cnn(C)n1 1359066287 VLHKMZJPUIPPAJ-HSZRJFAPSA-N 482.614 1.949 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1359121677 CHUINSDYRLIMKV-RTBURBONSA-N 478.623 1.312 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CCOC)CC1 1359144344 FUDOIHNRKITMAD-UHFFFAOYSA-N 469.011 1.716 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@]3(CCC(=O)N3)C2)cc1 1359306700 OFIXESRKLULRBP-AOMKIAJQSA-N 474.587 1.360 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1359327135 SXLGFRLECYROGQ-KBPBESRZSA-N 451.515 1.897 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCSCC1 1359328391 BRGLKJLQZOGURW-UHFFFAOYSA-N 485.657 1.349 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ncccn2)CC1 1359335443 LQBAQJRQFBDSKV-UHFFFAOYSA-N 487.561 1.714 30 10 JDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1 1447107663 VYZQNPKGQNIRJO-GOSISDBHSA-N 451.545 1.491 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)OCC)[C@@H](O)c2ccncc2)ccc1F 1470812933 KWUAFKLADRMROR-ROUUACIJSA-N 451.476 1.080 30 10 JDEE CCN(CC)CCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1501961250 DLKGPHJRZHVPJF-LJQANCHMSA-N 480.621 1.509 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1507635444 VZOWLGPBZJEXJE-HXUWFJFHSA-N 488.017 1.910 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(C(=O)N(C)C)c1 1507660074 LSQGJRONRIKUCX-SFHVURJKSA-N 470.599 1.296 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCNS(C)(=O)=O 1507667768 RHBYXYHGDJFOJF-UHFFFAOYSA-N 481.582 1.077 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1507679885 SRBNSHCWHCCQEE-OALUTQOASA-N 474.631 1.617 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1507721599 RHJLOCDQDUEPNO-QGZVFWFLSA-N 457.966 1.244 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1507738501 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C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1539200907 SHIUTUFVSRIJEG-OXJNMPFZSA-N 451.618 1.427 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1539206542 RCPOSCLVKIKLCT-LPHOPBHVSA-N 459.528 1.907 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1539225050 LJSINBYLGAEQFQ-OAQYLSRUSA-N 478.578 1.232 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1539229894 JJBCTGUHQMQNJR-AZUAARDMSA-N 460.556 1.208 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CCN1CCOC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1539230731 PSLYXUAVZQFCAI-JOCHJYFZSA-N 485.654 1.801 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)cc(OC)c1 1539265484 GNPIOAHVAUQPHY-HXUWFJFHSA-N 457.556 1.049 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCC1 1539416124 KDSAABPBQWAQRV-IBGZPJMESA-N 481.688 1.628 30 10 JDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCNC(=O)c2ccco2)CC1 1539454566 SKIFOXIZNWUHKJ-UHFFFAOYSA-N 462.554 1.850 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCCS2(=O)=O)CC1 1539462461 UYPFRIMLOJRURD-GOSISDBHSA-N 461.563 1.719 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCCN2CCCO)CC1 1539475562 HCVJEJTXRFADNK-HXUWFJFHSA-N 451.575 1.153 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1539729362 IEFZDUYGOXPQNG-MSOLQXFVSA-N 454.641 1.792 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1540858037 CPQDVCUGDYJUNQ-PMACEKPBSA-N 460.604 1.902 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncc(F)cn2)CC1 1540902277 FNGNPRQZQFFHIW-QGZVFWFLSA-N 465.555 1.376 30 10 JDEE CC(=O)N1CCN(CCn2c(CC(C)(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)CC1 1541006631 NQHCLUWIMGZTIY-UHFFFAOYSA-N 479.633 1.624 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(N2CCOCC2)c1 1541927218 GVRCZZZNYUBDKW-IERDGZPVSA-N 477.566 1.215 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](CC(C)C)NC(=O)NCc2ccc(C)cc2)CC1 1542893031 DXRJSMMTBHXWGQ-JOCHJYFZSA-N 455.603 1.493 30 10 JDEE Cn1cc([C@@H]2CN(C(=O)CNC(=O)c3ccc(C#N)cc3)C[C@H]2NC(=O)OC(C)(C)C)cn1 1570566467 GZEBLPFEWBKMLR-RBUKOAKNSA-N 452.515 1.541 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1588041736 ZGFMPLZECLWCGI-HNNXBMFYSA-N 460.951 1.289 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588045074 GQWUYNHXARNBED-SFHVURJKSA-N 475.590 1.822 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588069099 HHWZCVJCLNYNHD-IFMALSPDSA-N 498.653 1.548 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(OC)nc2OC)CC1 1588762484 IMJXFDSVWJHAOE-UHFFFAOYSA-N 496.593 1.564 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CCSCC2)CC1 1588763030 QGDNCFMQPRKKLT-UHFFFAOYSA-N 456.616 1.766 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1588811835 NCZMLCOUVHHIRY-MOPGFXCFSA-N 494.662 1.485 30 10 JDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1588858167 YFOMUNBJUTZPPE-FQEVSTJZSA-N 457.600 1.262 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1589482754 KZJQZVFRKRJNMA-FUHWJXTLSA-N 468.624 1.258 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Cl)ccc1OC 1594961626 DHUCSAGUFUKXKP-KRWDZBQOSA-N 455.968 1.944 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(CN2CCOCC2)CC1 1595496897 KBKJBOBKWUGDHT-UHFFFAOYSA-N 454.575 1.805 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1595516911 LRNXPYRTHXMQRP-DEOSSOPVSA-N 468.558 1.761 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@@H](COC)C1 1595788709 HOYQDBGBACVGCO-MRXNPFEDSA-N 465.576 1.860 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)s1 1611574177 YLAGAEGGZINZQD-ZDUSSCGKSA-N 457.599 1.540 30 10 JDEE C#CCCCNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1640141016 KHTZKUGRVVBNTG-CQSZACIVSA-N 453.870 1.801 30 10 JDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1)C1CCOCC1 1682886855 AOZZIRJCVRZVJS-HXUWFJFHSA-N 456.568 1.988 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CC(=O)N2CCOCC2)c1 1689872176 QNGIZMGQCRHSDQ-HXUWFJFHSA-N 466.542 1.435 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN1CCOC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1689984658 RZDRSZMKCOOXOA-HXUWFJFHSA-N 487.626 1.691 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2ccccc12 1690019498 KEBJUWUENFLBCM-OAQYLSRUSA-N 466.567 1.408 30 10 JDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1690082882 RQPDXLWDSDXRSY-OAQYLSRUSA-N 470.643 1.537 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1cccn1 1690104340 UBVOKIRIOOMBEP-LJQANCHMSA-N 454.556 1.500 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1690134751 DKVNHDMMOAUPAE-LRSLUSHPSA-N 474.650 1.645 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1690430838 VFWQZKIXDXMZTM-MRXNPFEDSA-N 458.567 1.683 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1690723734 ZTJJLLHGMDKZES-UHFFFAOYSA-N 498.657 1.922 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1690727020 SAHSVGFISBSHRP-HXUWFJFHSA-N 482.614 1.760 30 10 JDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1690742566 USNRMYOHLUGEKL-HZPDHXFCSA-N 453.576 1.525 30 10 JDEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(C)(=O)=O 1690747315 YHSDKDGDXXMHPW-MRXNPFEDSA-N 489.664 1.987 30 10 JDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOCC1 1691015627 DOTZRKRFLKHLOA-ROUUACIJSA-N 460.604 1.797 30 10 JDEE CN(C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)c1ccco1 1696598937 AJXPLWWNFQIKLO-IEBWSBKVSA-N 477.591 1.247 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCN(CC)CC1 1705551964 TXOJMWGNNXXGEV-UXHICEINSA-N 475.638 1.682 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1705558836 JSASPKUJDWPCKC-SFHVURJKSA-N 459.572 1.577 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1705559937 BZXKJLODLBUXLS-INIZCTEOSA-N 496.431 1.978 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCOCCCC)[C@H]1CCS(=O)(=O)C1 1705565603 IDRRJIONZZIHBV-INIZCTEOSA-N 463.560 1.449 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705567345 WZEPNORJBLSQGO-CTNGQTDRSA-N 473.647 1.960 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1705569046 CQQAYARKKSKJMJ-QZTJIDSGSA-N 482.653 1.382 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1705646231 BYOOHFLSCZRPHI-SFHVURJKSA-N 466.567 1.217 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C)cc2OC)CC1 1705647799 LNNSEKBLTLYNNU-IBGZPJMESA-N 450.543 1.560 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1cnccn1 1705655155 FPMQQKXYXLUTRJ-UHFFFAOYSA-N 471.612 1.988 30 10 JDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CC(N)=O)CC1 1705658344 MMEURNRJOBJFAV-UHFFFAOYSA-N 475.644 1.696 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1705699031 BIFSNIGGIVYMIC-XNTOXWQXSA-N 481.663 1.707 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCSCC1 1705896568 QYRIPDZEGDKFDS-UHFFFAOYSA-N 450.590 1.051 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1cnn(C)c1 1705934321 IOTPJGDMJQPIQW-UHFFFAOYSA-N 468.543 1.565 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1705938600 DQHXOBKQYRGCTO-DTRVGAPLSA-N 454.593 1.200 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(CC(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1705938610 DUOIRMWJXHAZCD-GOSISDBHSA-N 481.541 1.215 30 10 JDEE CCCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1709608718 AZPADQRINBOCBP-IBGZPJMESA-N 452.563 1.674 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1722358688 KQHKMPSOKJTCDP-KKSFZXQISA-N 474.612 1.838 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCOCCC=C)[C@H]1CCS(=O)(=O)C1 1722363638 UOKKOFYGRLITOG-SFHVURJKSA-N 458.540 1.893 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1722370225 ASWMNTZPBKCLAB-IBGZPJMESA-N 453.572 1.257 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722372535 YSDZWRQJGBBCOK-IXDOHACOSA-N 477.612 1.321 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN(C)CC(F)(F)F)CC1 1722565905 FIHLVZDNTIYONN-INIZCTEOSA-N 480.557 1.652 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1722629512 KWWXFAZFACUBEY-LJQANCHMSA-N 489.598 1.441 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@H](C)C1 1722698932 PJLNPKPMNGFOKR-ZACQAIPSSA-N 464.567 1.502 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2[C@@H]1C 1722723634 BCJBOYPGGCQWED-GJZGRUSLSA-N 453.590 1.570 30 10 JDEE COc1cc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)ccc1C 1729977336 DGRFMSOLGJOZLQ-SIKLNZKXSA-N 492.577 1.613 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(F)c1 1740671937 RXJNHZJOYDSGNZ-VQIMIIECSA-N 465.551 1.677 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)COCCO1 1740677623 YCTJHUZDKZCPNM-AVRDEDQJSA-N 462.547 1.765 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccn(Cc3ccccc3)n2)CC1 1740700500 BPLSBHDJNURGLA-UHFFFAOYSA-N 488.596 1.675 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)C(=O)C1 1740851382 UPXYOOBYSPVGPE-SFHVURJKSA-N 482.651 1.518 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCCOC2)C1 1740888145 PUYKDRQXXZCFOQ-WIYYLYMNSA-N 469.608 1.211 30 10 JDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1740946212 ABRMCIRQSWCTJG-UHFFFAOYSA-N 457.560 1.379 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1740957082 APPLIZLOASXESX-BGYRXZFFSA-N 478.601 1.978 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Nc2cccnn2)CC1 1741002538 JPISOMNZKVTHPH-INIZCTEOSA-N 463.633 1.970 30 10 JDEE CC1CCN(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1743191285 CYRDCVLBWKQQGD-UGKGYDQZSA-N 479.651 1.473 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(=O)N(C)C)CCCC2)CCO1 1748210176 ICYFDHLTSZAAMW-LJQANCHMSA-N 465.558 1.417 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCOC[C@H]2OC)c1 1748690478 SLWQNFPHOFWADK-UYAOXDASSA-N 468.558 1.524 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1748751322 FZMUNFGJZDZCEZ-IAGOWNOFSA-N 467.592 1.324 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1748814974 MHAHZPOMMWVGRP-NQIIRXRSSA-N 451.662 2.000 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCC(O)CC1 1748887265 ZSXVOWWIHLHCAX-UHFFFAOYSA-N 473.581 1.502 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCSCC(C)C)CC1 1748989631 OAVGUMZADOIQCD-LJQANCHMSA-N 484.692 1.146 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1749017062 UXKCYBHAUGRNPY-GOSISDBHSA-N 499.641 1.095 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1cnn(C)c1 1749129948 IRZAWCRRMSXROU-ZCNNSNEGSA-N 493.634 1.352 30 10 JDEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1749318576 BAZKZGGSGHTTQC-GHTZIAJQSA-N 468.558 1.839 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](OC)[C@H](OC)C1 1749670904 WPOARDWTJLCWFX-OKZBNKHCSA-N 478.594 1.545 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1749695457 CDPRUWDQWOYPEM-FDDCHVKYSA-N 488.614 1.455 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1760180417 FBVRLBNTZRUASW-HXUWFJFHSA-N 485.610 1.851 30 10 JDEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1760192715 MJSGGRAOTMMIAW-YRXWBPOGSA-N 493.630 1.712 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCNS(C)(=O)=O 1760216511 QHVDADMVGXNODK-UHFFFAOYSA-N 495.609 1.638 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1760248511 AWKZHKQAKYDEDY-JOCHJYFZSA-N 453.587 1.873 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nccc(C(F)F)n2)CC1 1760252477 QQBSPBJZNYEHSF-UHFFFAOYSA-N 453.457 1.457 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(Br)ccc2OC)CC1 1760259490 CJKAWGUGCTUCMD-QGZVFWFLSA-N 473.375 1.804 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn(C)c1 1760288920 CPCPHLVUWAQHEA-JOCHJYFZSA-N 453.572 1.969 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(=O)COC)CC1 1760313058 IGEDAOFMIMPKRS-LAUBAEHRSA-N 483.573 1.638 30 10 JDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1)c1ccccc1 1760362414 JVEVLCRJIPDJSQ-FUHWJXTLSA-N 487.586 1.074 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1760450601 ODRDYKDOXJXOGP-ROUUACIJSA-N 467.636 1.904 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1760520037 AKSHCHCJAPGORC-UHFFFAOYSA-N 463.546 1.022 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1760522966 IGYJSZPKISANOA-GOSISDBHSA-N 470.603 1.552 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C(=O)NCCC)CC1 1760524014 NDBFTHYODKNGTE-UHFFFAOYSA-N 495.632 1.497 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760553642 XJIRQMCTNCHMAN-OAQYLSRUSA-N 475.596 1.433 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCCC2=O)CC1 1760557200 CVQPEHCGNVHGKW-UHFFFAOYSA-N 475.619 1.332 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@H](O)C2)CC1 1766879857 APYAYMROSGOVQT-FPOVZHCZSA-N 451.575 1.578 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1772566387 RABWHXJDDQHPAF-IBGZPJMESA-N 483.548 1.203 30 10 JDEE C=CCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1861599878 NTMOPNHYRSWPBE-FXAWDEMLSA-N 467.497 1.995 30 10 JDEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 1862709534 YGKMKDHGNTYVOV-IBGZPJMESA-N 456.407 1.945 30 10 JDEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCN(CCO)CC2)=C(N)Oc2c1c(CCC)nn2C 1865222182 CCAFJLZQQIZIOD-NRFANRHFSA-N 481.597 1.769 30 10 JDEE N#Cc1c(NC(=O)COc2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)sc2c1CCC2 1865751019 GEPZDSDFHRWSNV-AWEZNQCLSA-N 478.486 1.527 30 10 JDEE C=CCn1cc(OCC(=O)Nc2cc(C)c(Cl)cc2OC)c(=O)cc1CN(CCO)CCO 1870389037 XVOYJULBQIPZJD-UHFFFAOYSA-N 479.961 1.809 30 10 JDEE C=CCn1cc(OCC(=O)Nc2cc(OC)ccc2OC)c(=O)cc1CN1CCN(C)CC1 1870736732 OUFCOADMINMTHX-UHFFFAOYSA-N 456.543 1.816 30 10 JDEE COC(=O)c1sc([C@H](C#N)C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1C 1872797630 QPENOMSXHROCII-MRXNPFEDSA-N 456.524 1.961 30 10 JDEE CCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889412782 ZWKYVZKJCRLPIC-HXUWFJFHSA-N 473.643 1.101 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)Cn3cnc(-c4ccccc4)cc3=O)CC2)CC1 1890480678 OYRCQMMEHHBPHM-UHFFFAOYSA-N 477.609 1.559 30 10 JDEE C=C(CCNC(=O)OC(C)(C)C)CNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2249460059 PYTIMAYWLPEVDE-SFHVURJKSA-N 499.586 1.845 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC/C=C\CNC(=O)OC(C)(C)C 2256450229 CMHGKXZRSRRLCO-KTKRTIGZSA-N 456.374 1.079 30 10 JDEE CC(C)(C)OC(=O)N1CC(C[C@@H](F)C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256624797 PBXSTZRGFVTTRN-GFCCVEGCSA-N 456.349 1.793 30 10 JDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 2266996442 OXJKQPMDWYYORU-HZPDHXFCSA-N 450.341 1.987 30 10 JDEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC1 2268675528 AGICBCRQBBNGSC-UHFFFAOYSA-N 468.385 1.350 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268788907 ICOVZPXRKCYOPP-UBHSHLNASA-N 469.369 1.112 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@]1(C)CO 2282057907 MXRDEIXLIUQTET-JOCHJYFZSA-N 464.372 1.163 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](OCCNC(=O)OC(C)(C)C)C1 2282537631 UCJASKKEVQMQCM-HNNXBMFYSA-N 464.372 1.475 30 10 JDEE Cn1ncc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCOCC2)c1B1OC(C)(C)C(C)(C)O1 2282575097 YHIYIFTZAIOIII-UHFFFAOYSA-N 464.372 1.523 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282834588 LMLDBDBQBJZYGU-HNNXBMFYSA-N 484.428 1.597 30 10 JDEE Cc1nc(S(=O)(=O)N2C[C@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282873470 LSXCWBDEZMSQEP-SZNDQCEHSA-N 482.412 1.315 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2284126335 RGFIRTCXXSLBFJ-OAHLLOKOSA-N 481.380 1.353 30 10 JDEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H](COCc3ccccc3)CC(=O)O)c2)OC1(C)C 2284411853 PEQHIMXZZAISEG-GOSISDBHSA-N 476.360 1.719 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H]1COC[C@@H]1CNC(=O)OC(C)(C)C 2285211649 XLZUSTMWZROKTB-RDJZCZTQSA-N 461.368 1.959 30 10 JDEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2315697122 NKSXBGGSRGDGJF-ZDUSSCGKSA-N 453.370 1.808 30 10 JDEE CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2343638976 MCFITLDLBTYXLZ-ZIAGYGMSSA-N 450.320 1.805 30 10 JDEE 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C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1286780712 ZEPAWWSDSOMFIG-SFHVURJKSA-N 462.558 1.942 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286790644 ICERFUSGPGRIPB-LJQANCHMSA-N 468.558 1.788 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1286792444 YAPPCAAMKIGWKK-HXOBKFHXSA-N 452.515 1.415 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 1286799749 ZPVNCZJTFXGVMS-LJQANCHMSA-N 461.588 1.791 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[C@@H]2NC(=O)NC2=O)C1 1286803429 HMSOQHQABGXOHB-CABCVRRESA-N 492.378 1.816 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1286822233 BDZYGESEMAYVAN-INIZCTEOSA-N 481.550 1.874 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1286822306 HWZPKRYCSMNVFG-QFIPXVFZSA-N 459.572 1.695 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1300764562 XXVCIDGHBFJWIK-IBGZPJMESA-N 462.645 1.968 30 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456.591 1.775 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1359126078 FBVZPGKEXHXXHX-NVXWUHKLSA-N 451.597 1.728 30 10 JDEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)C(=O)C1 1359132550 AEWRRABKAZVWKA-HXUWFJFHSA-N 457.531 1.678 30 10 JDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1359133785 ZGVFMWIITJVUSF-FQEVSTJZSA-N 460.623 1.946 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CN2CCOCC2)C1 1359202951 FZGJHSSWNIBFIW-UXHICEINSA-N 482.651 1.126 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1359215442 BOTKPBPTYAGHFF-HXUWFJFHSA-N 494.662 1.806 30 10 JDEE C=CCCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1359217596 GJTFEPKKVNWUAA-UHFFFAOYSA-N 456.566 1.955 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2N2CCOCC2)C1 1359313782 RDEONRDYWBINOH-AZUAARDMSA-N 490.630 1.555 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCOC(C)(C)[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1359335391 KMJOPSNQGALPLB-DYESRHJHSA-N 456.609 1.923 30 10 JDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1359345804 QRHQCWHVMREGCE-IBGZPJMESA-N 475.663 1.453 30 10 JDEE CC(C)N(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)C(C)C 1360131449 ADYKVNIXAFXNCI-FXAWDEMLSA-N 471.603 1.172 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)s2)n1 1459759757 REXYDNFXLLIVNU-GOSISDBHSA-N 450.586 1.715 30 10 JDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(F)cc1 1470656352 ATYIFTQVSHBDLZ-LJQANCHMSA-N 459.499 1.987 30 10 JDEE CCC(O)(CC)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1497449589 HDZUIWZMFRXRIF-OAQYLSRUSA-N 486.642 1.925 30 10 JDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1503373809 FVQYJNMBAORDDK-FQEVSTJZSA-N 467.574 1.366 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(S(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1507626400 NUHGTNNYSYVIEF-QGZVFWFLSA-N 478.596 1.158 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1507626785 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1507865325 AGEUJXNPSFIXIA-UHFFFAOYSA-N 457.988 1.308 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)C(C)C)CC1 1508087745 DQYHQZYWWSGBMC-UHFFFAOYSA-N 481.605 1.059 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](S(C)(=O)=O)C2)cc1 1508097493 QMCQEAJYRBQEOJ-QAPCUYQASA-N 483.616 1.125 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1 1508135296 LJYWJOITEFNKJZ-CYBMUJFWSA-N 455.338 1.365 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1508135739 OVXIHCQRGXXGOY-UHFFFAOYSA-N 483.616 1.026 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1508136213 QGULGVQNDMSEMY-QZTJIDSGSA-N 489.598 1.668 30 10 JDEE COc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)c(OC)c1 1518280172 CFUZPSBRTLTYKS-RXVVDRJESA-N 494.549 1.118 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C[C@@H]2CCCO2)c2ccc(Br)cn2)C1=O 1526300934 AELJCBQATJAPMA-ZDUSSCGKSA-N 451.277 1.333 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@@H]2COCCO2)c1 1539045595 FOWJRRGKQRLYGB-WPYKKVEZSA-N 483.569 1.864 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539212213 NNVRZGMMZVENOH-FPOVZHCZSA-N 457.600 1.921 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1539213111 VZOPUSFDPMAETC-HBMCJLEFSA-N 469.567 1.495 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539231554 SZMIUNCPHKUZPR-NNWRFLSQSA-N 487.626 1.765 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)c(OCC)c2)CC1 1539427362 CDSRYEHVRQBXKB-UHFFFAOYSA-N 452.559 1.725 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCCNS(=O)(=O)CC)CC1 1539429726 BZHBCJNHLVSYJV-UHFFFAOYSA-N 481.626 1.886 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(S(C)(=O)=O)CC2)CC1 1539436040 HBHQCGRDAPVZMS-UHFFFAOYSA-N 463.991 1.940 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)N1CCOCC1 1539643266 LUENAUZXEKTRBO-KNQAVFIVSA-N 457.579 1.416 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1540036043 JXMNPBREBPLTMI-GOSISDBHSA-N 474.587 1.130 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1540854933 OPTACIPLKVXVFQ-UHFFFAOYSA-N 496.659 1.632 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1540865053 UDHMBJGCCXJZQB-UHFFFAOYSA-N 485.589 1.895 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(S(C)(=O)=O)CC1 1540901273 YJFFNUXBSKIZGC-UHFFFAOYSA-N 456.565 1.698 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCCOC1 1540901560 HYOUZBOORBNXCT-QGZVFWFLSA-N 486.598 1.656 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1540905551 SUBNMHUXLGGKNC-YJBOKZPZSA-N 482.584 1.015 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H](C)N1CCOCC1 1541909334 BQAVPJFOGXLWLU-SJORKVTESA-N 461.592 1.117 30 10 JDEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1545533077 BPLXTOOAHRJTHK-FUHWJXTLSA-N 489.650 1.456 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2NC(=O)CC2(C)C)c1 1587696925 CPOQLHJJHDCBMH-LJQANCHMSA-N 477.569 1.371 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CCOC2)CC1 1587766707 XUMRUQFQMRVMQO-UXHICEINSA-N 465.620 1.667 30 10 JDEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1587879000 MPDKWVWAOVNTHK-UHFFFAOYSA-N 452.559 1.486 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588024563 GWZLVYOBXAHYKV-WOJBJXKFSA-N 476.647 1.261 30 10 JDEE C#CCN(c1nnc(CC)n1C[C@@H](c1ccccc1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588058985 GZDYOQFMRSSZNH-SFTDATJTSA-N 457.600 1.541 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1588864686 IYNAPXWEJCWZCF-PMACEKPBSA-N 457.623 1.044 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCNC(=O)C(C)(C)C)CC1 1588864831 KLKVXQNMSHQOSY-UHFFFAOYSA-N 457.604 1.187 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCc3nccn3C2)CC1 1588891864 UUIJQPDRKMFUCF-MOPGFXCFSA-N 469.590 1.427 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)COC)CC1 1589484709 VVLMJKUTDYHLGS-FXAWDEMLSA-N 469.546 1.202 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC2(CC1)CNC(=O)C2 1595506922 QMAZMABBBXKGHU-UHFFFAOYSA-N 454.531 1.371 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1595529741 FTWZXMJWPZRGQC-UHFFFAOYSA-N 469.594 1.582 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1595530200 WMILYGSHCFRFAH-UHFFFAOYSA-N 464.505 1.706 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1595550983 KJBBWUNCLKEMOW-KDOFPFPSSA-N 481.525 1.339 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCCS2(=O)=O)C1 1595752626 BYEFDNYORKDQIB-MANSERQUSA-N 454.593 1.751 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1595799072 WVSWMVADSZLIDY-PKOBYXMFSA-N 464.592 1.567 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1595830769 GNUVVUFEZCKBGZ-KRWDZBQOSA-N 493.586 1.743 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@@H]1C 1595884743 RTEYHWPMLXLKTO-HOTGVXAUSA-N 459.638 1.534 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@](F)(C#N)C1 1610269568 BEBSEBACXWJLLU-LJQANCHMSA-N 450.496 1.444 30 10 JDEE CO[C@](C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1)C1CC1 1618921774 AFFBQGWWOURKBH-NFBKMPQASA-N 488.614 1.934 30 10 JDEE CC#CCNC(=O)Cn1cc(I)c(=O)c(I)c1 1633028877 HKCROHXCTXQCOC-UHFFFAOYSA-N 456.021 1.197 30 10 JDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)n1 1655207150 AVIIPUQHFKCJKH-UHFFFAOYSA-N 459.977 1.552 30 10 JDEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 1661408174 OKYUJNUCBKJAAZ-IBGZPJMESA-N 452.554 1.685 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1689824737 WIOPBJHNESVGAG-JENIJYKNSA-N 464.636 1.859 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1689931697 FSPBJJWJOYIDRI-OAHLLOKOSA-N 496.531 1.047 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689982152 IWTPIGSPJRZBJN-KNKQGSTJSA-N 466.604 1.370 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1689988883 XZZIQMIHYWKNRS-KRWDZBQOSA-N 459.601 1.621 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN1CCCS1(=O)=O 1690013552 UCNYSYJNSYNFAL-UHFFFAOYSA-N 450.524 1.708 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCCCO2 1690047142 MALRRJMJTYSQCC-QFIPXVFZSA-N 499.593 1.284 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1690100917 HUTGBVWAHKAGGN-UHFFFAOYSA-N 465.558 1.800 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@]2(O)CCO[C@H]2C)CC1 1690148247 ADDROIYEPKHBJM-BXKMTCNYSA-N 455.534 1.514 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1690175367 VMJSXCQULUDRFE-ZVDOUQERSA-N 495.715 1.872 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc2c(c1)OCO2 1690312763 CEDOBFIUKHWKOQ-FQEVSTJZSA-N 493.586 1.569 30 10 JDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1690315523 DGYHPTUSMRPZHD-UHFFFAOYSA-N 454.575 1.932 30 10 JDEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1CCN1CCN(C(C)=O)CC1 1690574288 VJTYJVQTGDHYIM-UHFFFAOYSA-N 459.620 1.835 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1690661169 WGCLGYSOCPXQSV-MAUKXSAKSA-N 462.576 1.541 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1690722360 GTRNGLUVLSMQSY-UHFFFAOYSA-N 475.525 1.941 30 10 JDEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NC(C)C)C[C@H]2C)CC1 1690863532 GINDWTXYRMUERS-GCJKJVERSA-N 478.601 1.330 30 10 JDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CC1 1695595963 AGRUHFZEBNXCSY-NRFANRHFSA-N 494.644 1.528 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cccnc2)C1 1695945909 HGXYCTNPIOGFQA-HXUWFJFHSA-N 451.556 1.972 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705562380 BDGIBUGVNNISLU-MRXNPFEDSA-N 494.415 1.731 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1C 1705628414 GGNVVYHHRDUOIA-IBGZPJMESA-N 482.006 1.707 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@](C)(O)C2CC2)CC1 1705650994 GABHXAFDCGWLQU-RUZDIDTESA-N 467.570 1.993 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(CCOC)CC2)CC1 1705651229 OLTOVSMNRXERIN-UHFFFAOYSA-N 453.591 1.922 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1705914656 DEFHRQAEQHUPNU-AUSIDOKSSA-N 474.993 1.709 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](C(N)=O)C1 1705930629 RQJBFZUKWQRTIF-ROUUACIJSA-N 461.588 1.947 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)CCO1 1706047567 BYINHUQXBXUOMZ-WHUARKNTSA-N 458.588 1.705 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1706075002 IBTLPTDZFXJMGF-BRSBDYLESA-N 452.625 1.664 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCSC2)c1 1722305470 HPHKCZLEBROBOJ-XMMPIXPASA-N 491.577 1.850 30 10 JDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722325662 MTSSBWQLFMRBGR-LJQANCHMSA-N 452.515 1.848 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1722364765 MMIWKKMQXROHLB-IMSXRSKXSA-N 493.674 1.677 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722368173 PHLHIDNTOZLXFF-CHWSQXEVSA-N 486.563 1.060 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCC[C@@]2(CCOC2)O1)[C@H]1CCS(=O)(=O)C1 1722368698 UZMIKQNGQMTELF-IPJJNNNSSA-N 450.605 1.832 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1722372260 SLQUEGNJWRLZNK-GOSISDBHSA-N 487.582 1.093 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCc2ccccc21 1722383442 HWLKIFKVYNXNIA-RBBKRZOGSA-N 467.595 1.804 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(N2CCOCC2)CC1 1722388366 VBTYSAUKILXUCY-BGYRXZFFSA-N 468.602 1.986 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCSC1 1722414337 ZLLQTYCGMZBLBT-KKSFZXQISA-N 451.593 1.914 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)s1 1722426673 LZKCZHKMOVEYJV-KRWDZBQOSA-N 453.590 1.115 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C)N(C)C)CC1 1722437391 MFMGSSHFHLUATM-RBUKOAKNSA-N 461.611 1.292 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1722503547 LOXCDCVJNGCODU-UEXGIBASSA-N 465.620 1.785 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1722693409 MODCVAUSSHPUBB-OALUTQOASA-N 454.531 1.512 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCS(=O)(=O)CC1 1722697256 YMUSWCGXKSXNNF-UHFFFAOYSA-N 454.350 1.245 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1722703970 MLQUXQXXMJXLJN-SBUREZEXSA-N 478.594 1.726 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1722726747 BVXRCDKICDGMSL-MDZRGWNJSA-N 498.627 1.649 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1722727809 OOAATJMWXZIBKB-KDURUIRLSA-N 462.620 1.795 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1722751217 RDBQAHHLNAAPAT-UHFFFAOYSA-N 487.561 1.810 30 10 JDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@H](C(F)(F)F)O1 1726722134 FCMDBNHIVVLAFK-MAUKXSAKSA-N 494.474 1.744 30 10 JDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)NCC(F)(F)F 1727009384 FLLBUFJDXXAZGF-UONOGXRCSA-N 465.484 1.847 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cn[nH]c2)c1 1740564288 IFPGCFPQHDQYEF-GOSISDBHSA-N 467.555 1.202 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cnn(C)c2)CC1 1740592305 VBTSTDSJQBWGKZ-IBGZPJMESA-N 461.592 1.142 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2Cc2cc(C)no2)n1 1740687766 KYGXHYZSBACNFV-UHFFFAOYSA-N 452.519 1.342 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2CC(=C)Br)CC1 1740702643 USHRGQQFGHGXIZ-OAHLLOKOSA-N 454.369 1.877 30 10 JDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740714294 VCXLYOPKTYUJCP-GOSISDBHSA-N 458.613 1.949 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740752360 VTMCQFTZDSAAGA-MANSERQUSA-N 456.609 1.997 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1740899616 ODYQLDKPHJXFMO-VQIMIIECSA-N 489.520 1.683 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)OC(C)(C)C)C1CC1 1740910198 LPTHLLXGUZAZKO-MRXNPFEDSA-N 470.596 1.291 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(N(C)C(C)=O)CC1 1740989909 BPVJOZZAKYJBIN-UHFFFAOYSA-N 478.575 1.054 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@]1(O)CCCC1(C)C 1741674541 GEJPXFBQLBPKIK-XMMPIXPASA-N 466.590 1.951 30 10 JDEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)c1=O 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1749532940 ZDUHGSOXTGLSES-SFHVURJKSA-N 457.560 1.185 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(F)(F)F)CC1 1749731526 GIPPDZXPTSULBF-OAHLLOKOSA-N 451.515 1.805 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(N2CCNC2=O)CC1 1749736134 DMXWVCJJZNVZBK-UHFFFAOYSA-N 494.568 1.742 30 10 JDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CCC[C@H]1CO 1760160731 LPTMYTVZTAJAFE-NRFANRHFSA-N 459.554 2.000 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCCN1CCC[C@H]1CO)[C@@H]1CCS(=O)(=O)C1 1760184778 LXSYMNXLYJKZBH-XZOQPEGZSA-N 496.637 1.680 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CCS(=O)(=O)NC 1760243977 JULUWKILGGRZSH-UHFFFAOYSA-N 456.366 1.343 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1760264993 KECIOKALBDIYBI-OAQYLSRUSA-N 483.661 1.848 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H](CC)OC)CC1 1760269126 YZGNUDBQUNRRGT-SFHVURJKSA-N 487.630 1.629 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)NCC)c1 1760288545 GDXSDCFHXPXZNY-KSFYIVLOSA-N 458.588 1.678 30 10 JDEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1760355734 UMHUHMGTKIHSCH-UHFFFAOYSA-N 451.531 1.546 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC2(CCC2)C1 1760357095 DMOVMOLODHQKOT-GOSISDBHSA-N 469.608 1.211 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@](C)(OC)C1 1760550812 JWZGNDYSZLJXME-NRFANRHFSA-N 482.628 1.955 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1761464991 AGSLPFRWVXRRMR-CRAIPNDOSA-N 480.616 1.364 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1nnc2n1CCCCC2 1761493135 GWSCTXKKARBTJN-IIBYNOLFSA-N 475.623 1.579 30 10 JDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1767228614 FVHXXNCIIXSUII-HXUWFJFHSA-N 464.574 1.927 30 10 JDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC1 1768431993 GFNABAKBFVBGCY-NRFANRHFSA-N 467.574 1.508 30 10 JDEE COCCN1C[C@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1769877038 GHEZSNHLVQOZPV-WBVHZDCISA-N 474.949 1.831 30 10 JDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)CN2CCOCC2)C[C@@H](C)O1 1770960173 FKCHKZFJJOIVMP-VIZSFHNOSA-N 484.601 1.937 30 10 JDEE CS(=O)(=O)N1CCC(C(=O)Nc2ccc(N3CCN(C(=O)c4cccc(C#N)c4)CC3)nc2)CC1 1858441964 JLONHPFEDAQPOW-UHFFFAOYSA-N 496.593 1.526 30 10 JDEE O=C(NCCCN1CCOCC1)[C@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933942 SISIJKXCODTGQZ-FQEVSTJZSA-N 474.558 1.314 30 10 JDEE C=CCn1cc(OCC(=O)Nc2ccc(C)c(C)c2)c(=O)cc1CN1CCN(CCO)CC1 1870751365 MJNDGSWKGFDJIZ-UHFFFAOYSA-N 454.571 1.779 30 10 JDEE CCN=c1[nH]c(C)cc(=NCCNC(=O)[C@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)[nH]1 1890418529 GXMCTNQERYTGNA-VXKWHMMOSA-N 481.626 1.554 30 10 JDEE C=C1CC[C@H]2[C@](C)(CO[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CCC[C@]2(C)[C@H]1CCC1=CCOC1=O 1903865617 YGCYRQKJYWQXHG-UITZDEHXSA-N 480.598 1.845 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C2)n1 2247914221 HZJUJVMEISAMNH-CALCHBBNSA-N 454.336 1.907 30 10 JDEE CN(CCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247952134 NFOCIAUTDKAISK-UHFFFAOYSA-N 461.415 1.729 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](O)(CCNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267163729 JHSSTPJQWNACJT-OAQYLSRUSA-N 467.397 1.934 30 10 JDEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267710508 WUARVOLCNONMFR-KGLIPLIRSA-N 470.401 1.396 30 10 JDEE C=C(Br)CS(=O)(=O)NC[C@]12COCCN1CCN(C(=O)OC(C)(C)C)C2 2272550835 QKMAMAZWVGESCT-INIZCTEOSA-N 454.387 1.136 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1C[C@@]2(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)CO[C@H]1C2 2280872829 UNTXDTOUDWOGEU-DFFLPILJSA-N 460.340 1.787 30 10 JDEE Cn1ncc(C(=O)NC[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281808845 DXOLEIRCHHUPDC-QFIPXVFZSA-N 464.372 1.211 30 10 JDEE COc1ccc(S(=O)(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282501756 BGGVRKZGPSGRDD-CQSZACIVSA-N 486.396 1.158 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)n1 2282503835 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CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](NC(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2337340595 HYOZVTOBWXMDGR-KFWWJZLASA-N 465.381 1.806 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)N2CC[C@H]1C2 2368742389 LTDOGVCFFDHTDN-LSDHHAIUSA-N 478.424 1.866 30 10 JDEE CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2369315874 YJFVZSHNPIDWKA-QGZVFWFLSA-N 460.384 1.943 30 10 JDEE N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@@H]1c1ccc(Br)cc1 72443858 ZJHHOVJPPKWALH-ZIAGYGMSSA-N 471.315 1.458 30 10 JDEE C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 215692723 FEADBBNKPVEDRW-JKSUJKDBSA-N 475.399 1.632 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)CN2C(=O)NC3(CCC(C(C)(C)CC)CC3)C2=O)CC1 492456767 MYENVZPNILQMED-UHFFFAOYSA-N 461.607 1.350 30 10 JDEE C=CCN(CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)Cc1cccc([N+](=O)[O-])c1 521090418 CRRBMBMQBRGHEP-VQTJNVASSA-N 451.545 1.778 30 10 JDEE CC(C)OC[C@H](O)Cn1c(N/N=C/c2ccc(C(C)C)cc2)nc2c1c(=O)n(C)c(=O)n2C 606630974 SOEDHMQSCQARNR-SFQCIDFKSA-N 456.547 1.789 30 10 JDEE COc1ccc(Cn2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3cnn4ccccc34)c2=O)cc1 729671992 SILWLMDJEIYTHS-UHFFFAOYSA-N 485.569 1.740 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CC1CCS(=O)(=O)CC1)[C@H]1CCS(=O)(=O)C1 1286388227 ZGOHTBSAHMLNJY-KRWDZBQOSA-N 480.587 1.536 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CCc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1286391000 FYEUOIFQWVHQQV-HXUWFJFHSA-N 455.584 1.460 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1C[C@H](C)CN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1286395145 QXFOHUZRQSJILD-NHCUHLMSSA-N 464.680 1.377 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCCN2CCCC[C@H]2C)CC1 1286472024 PXWZEYJBRPSZRV-UXHICEINSA-N 465.668 1.298 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1286592716 RSPMRZNZUCRGJF-QFBILLFUSA-N 493.586 1.258 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ncccn2)CC1 1286689134 XECYYZBFPPBGGH-GOSISDBHSA-N 476.607 1.084 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286783555 VGONXSJNGNESFE-MRXNPFEDSA-N 452.968 1.419 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1286785518 GFIAMAPUQREYLG-QGZVFWFLSA-N 475.594 1.615 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ccnc(C)n2)CC1 1286790575 GHGNGFRXFFAGMF-UHFFFAOYSA-N 468.512 1.874 30 10 JDEE CC(C)OC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1288360415 CYBVWVJYSOOMAM-PZJWPPBQSA-N 489.598 1.794 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1297729248 FGFSUNUWMWOCNP-JPYJTQIMSA-N 488.614 1.873 30 10 JDEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(N)=O)CC1 1297954003 CCDLPUMCUBWYRB-JOCHJYFZSA-N 492.628 1.851 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1299300827 BLJXBEYRWKCWLZ-UHFFFAOYSA-N 459.576 1.107 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCCc2cnn(C)c2)c1 1300330942 FGLGXQWWPJMFRX-UHFFFAOYSA-N 474.569 1.937 30 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464.595 1.997 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1300700646 UBHREEFNWPHIBD-SFTDATJTSA-N 457.623 1.218 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1300710108 SGGWNIFTMYTNIW-UHFFFAOYSA-N 461.563 1.576 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@]2(C)CN(C)C2=O)CC1 1300731307 NPQFPLVDWKCAON-AREMUKBSSA-N 494.596 1.700 30 10 JDEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1300848127 AWHNMOTVGNTILB-UHFFFAOYSA-N 453.385 1.656 30 10 JDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1300904020 BORHYECLVJDKTH-CTNGQTDRSA-N 468.558 1.600 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1300929205 ZVUJDJQZWIZJRJ-HUUCEWRRSA-N 452.585 1.293 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC(C)C)C1CCCC1 1301500968 RVQMOIKKFFWOKK-SFHVURJKSA-N 468.624 1.318 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1301520168 DCRYIVRJTIVDCO-GOSISDBHSA-N 478.550 1.082 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2cccnn2)CC1 1301577586 QLAPPFCGWBEUIM-UHFFFAOYSA-N 469.571 1.671 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)O[C@H](CC)C1 1301586140 QFKSKPLNQPUNDY-HUUCEWRRSA-N 451.549 1.610 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CCC[C@@H]2CCCCO2)C1 1316353372 CRKAKUAFGLVDCC-RBUKOAKNSA-N 466.608 1.700 30 10 JDEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](COC)C(N)=O)c1 1356577878 WRBJDSPVBGWYGM-SFHVURJKSA-N 451.932 1.951 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1358967952 WFYZXEUCAAZYNA-LJQANCHMSA-N 484.557 1.964 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358976736 OSJNTNGTHFXRSB-FPOVZHCZSA-N 452.584 1.926 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCS(=O)(=O)C1 1358986639 CAIXSHFFHRFQAZ-GOSISDBHSA-N 488.639 1.444 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1358993302 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1455475208 AZFUNZIHHPRDGO-UHFFFAOYSA-N 453.446 1.599 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1478552933 PACAOORLRSUEHN-UZLBHIALSA-N 451.545 1.455 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1507588302 ITZXWGXHDOMWQY-LJQANCHMSA-N 474.587 1.408 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CC(=O)NCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1507634930 OJHQICSLCMMTRZ-NRFANRHFSA-N 497.646 1.916 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCn2cnnn2)CC1 1507735078 JOMXCFJAZUAOTK-UHFFFAOYSA-N 471.928 1.780 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2csc(C)n2)CC1 1507751796 RBQXVGHUKQVNMX-KRWDZBQOSA-N 480.685 1.634 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCOCC1CCOCC1 1507764998 QBMZEZMVBLKKCU-LAUBAEHRSA-N 453.609 1.714 30 10 JDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1508058513 BRUCJNJUCBKTST-HNNXBMFYSA-N 451.515 1.457 30 10 JDEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)CC(N)=O)CC1 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C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(N(C)C)cc2)CC1 1539466572 CBAPHBRHECAAOX-UHFFFAOYSA-N 477.613 1.789 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@](C)(O)C2CCCCC2)CC1 1539467128 NHEMSOWRXIHITJ-XMMPIXPASA-N 458.607 1.713 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CCCN2CCOCC2)CC1 1539705049 MRRPJBUHHMONLF-NRFANRHFSA-N 496.678 1.516 30 10 JDEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539759538 UVEDZSBKCQKBNJ-UHFFFAOYSA-N 484.601 1.931 30 10 JDEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1540854527 NGJZBOTXUFYVNP-UHFFFAOYSA-N 462.352 1.159 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CN2CCCCCC2)CC1 1540902576 MIFIACDZLUTHLR-FQEVSTJZSA-N 478.663 1.922 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1 1545355651 HTICJMCDCFCCQH-CRAIPNDOSA-N 451.545 1.352 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Cl)c(OC)c(OC)c1 1587640190 PVBNRJGUEKAAPH-KSSFIOAISA-N 498.005 1.788 30 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461.611 1.144 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1595772982 LESCBIQLSKYUGS-INIZCTEOSA-N 496.387 1.949 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(F)cc(C)c2C1 1595799295 YOLCJNBRUFTCES-KRWDZBQOSA-N 482.603 1.791 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689977719 BIAOFMHDUPNIEM-RTBURBONSA-N 490.655 1.505 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689996409 IHEHLPAVPGYUML-HXUWFJFHSA-N 498.609 1.832 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCOC[C@H]2OC)CC1 1690117382 FQBHWPINHHTGRD-DENIHFKCSA-N 455.559 1.769 30 10 JDEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CCS(=O)(=O)NC(C)C)CC1 1690131319 XTURTEXPUQQDHX-UHFFFAOYSA-N 469.615 1.364 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1690193852 UDFWVNRWEFPHRM-IRLDBZIGSA-N 466.604 1.251 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1690235654 BXWAIYAPTXTFQC-RMMWZPCPSA-N 484.667 1.415 30 10 JDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1690463169 XEBHMSRLKIZVQK-MSOLQXFVSA-N 466.608 1.216 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1690671242 RPXJTBBPQQKJAV-GOSISDBHSA-N 473.599 1.917 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCNC(=O)CC1 1690715116 DDEFYCCFTYVYRV-SFHVURJKSA-N 461.588 1.962 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1690717734 OWQSXRUKPLXIAR-SFHVURJKSA-N 495.627 1.054 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)C(C)C)CC1 1690729238 JQRCPOSBUYDLRI-UHFFFAOYSA-N 494.643 1.175 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1690731119 ADLBLIYNGZSZDH-LSDHHAIUSA-N 451.515 1.803 30 10 JDEE C[C@@H](Cn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1C(C)(C)C)N1CCOCC1 1692775624 FKKNQKIIMICVOL-ZWKOTPCHSA-N 453.595 1.673 30 10 JDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1696477536 DIDNCRKMUOADOJ-KRWDZBQOSA-N 451.574 1.265 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1705568135 IEWVZIFATXWNAN-FQEVSTJZSA-N 473.599 1.627 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCO2)n1 1705631678 MHCSFIDMLXTOLP-ICSRJNTNSA-N 476.603 1.232 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1705639623 SHIORMTUTKMCGQ-UYAOXDASSA-N 461.563 1.462 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2CCCn2cnnn2)CC1 1705645638 ZDKDNUSFHAYNRB-UHFFFAOYSA-N 498.389 1.750 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCCN(C)S(=O)(=O)CC)CC1 1705646121 RVEDOYVCRCLEBP-UHFFFAOYSA-N 486.642 1.891 30 10 JDEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705739889 UZMPAJOLFXGADE-UHFFFAOYSA-N 493.568 1.249 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705825595 XOTBTHXWIINJBM-UHFFFAOYSA-N 453.547 1.464 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1705897971 YBQSKGCJUATNEF-MRXNPFEDSA-N 489.602 1.046 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1705898339 ISJMEHHZSZJABH-HSZRJFAPSA-N 454.531 1.514 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1705899837 IHVPRKUCVYQOAF-UHFFFAOYSA-N 466.590 1.167 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)N2CCCC2)CC1 1705904880 BBXOBGZUZLIYPS-UHFFFAOYSA-N 455.538 1.648 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1705906286 YYJWLVJEGMPZGF-UHFFFAOYSA-N 485.536 1.831 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705906642 LDPULQAILHNGFU-INIZCTEOSA-N 467.979 1.826 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCc3cccc(C(N)=O)c3)CC2)c1C#N 1707807520 COCSEAUTZGYNAY-UHFFFAOYSA-N 461.574 1.983 30 10 JDEE CCn1nc(-c2nnc(N3CCC(C#N)CC3)n2CCS(C)(=O)=O)c2ccccc2c1=O 1710304479 DLQXHIOEJVBJAX-UHFFFAOYSA-N 455.544 1.459 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C/C=C\c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722367832 OLIBXUNQUWPUNZ-WTGAGXSVSA-N 474.608 1.520 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722368176 PHLHIDNTOZLXFF-OLZOCXBDSA-N 486.563 1.060 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2OCC[C@H]2C)CC1 1722441813 UZFPCKNMUKQRMZ-SJLPKXTDSA-N 451.531 1.316 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2cn[nH]c2)CC1 1722443189 DRSAMXSMBKZOFG-UHFFFAOYSA-N 481.582 1.280 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(=O)NCCC)CC1 1722444616 CNEWKCKORFTEPD-UHFFFAOYSA-N 452.515 1.166 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(C1)OCc1ccccc12 1722453113 ZFBRKNIEQVFXAN-KKSFZXQISA-N 461.613 1.891 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1722693111 DFLPWPZVXAGTRF-IBGZPJMESA-N 499.597 1.061 30 10 JDEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1728710795 GUYPVDVNEPJTAN-JOCHJYFZSA-N 494.600 1.696 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(C(N)=O)CCOCC1 1740550056 HNCPMNNATSRMQQ-QGZVFWFLSA-N 452.563 1.192 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COc2ccccc2)C1 1740591409 PAUHYFVGSXQUCF-CTNGQTDRSA-N 473.599 1.930 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1740591987 RZBXIFBRULQWAY-LJQANCHMSA-N 473.574 1.624 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1CCS(=O)(=O)CC1CC1)[C@@H]1CCS(=O)(=O)C1 1740623677 ZFCIVOGHILVRFX-GOSISDBHSA-N 454.618 1.387 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccccc1)N1CCOCC1 1740678933 VRZFNOAEOPRNJX-JOCHJYFZSA-N 466.586 1.674 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCC(F)(F)C1 1740686437 TUBVGLAMTLMXID-QZTJIDSGSA-N 489.589 1.913 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCOCC1 1740688753 UTIFAIBNJPSDSD-SFHVURJKSA-N 490.605 1.718 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccco2)n1 1740689396 VJMHTMBLJDEKAA-QGZVFWFLSA-N 458.544 1.304 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccco2)N2CCCCC2)CC1 1740690111 GWGXOUDFJXTZSH-VQTJNVASSA-N 489.646 1.464 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H](C)N(C)C)CC1 1740705036 BBXFCTCTTNLPGX-KRWDZBQOSA-N 476.585 1.108 30 10 JDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1740738315 GFDIZZBCCYCMHL-DZGCQCFKSA-N 457.373 1.951 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1740795224 QHFQTCPKHMPCNZ-FQEVSTJZSA-N 473.599 1.735 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1740944250 ZXAKMEYLUPZYNQ-LSDHHAIUSA-N 455.606 1.639 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnc(C)s1 1748717769 IASNDNWNRFQZSM-KRWDZBQOSA-N 452.606 1.816 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1748805748 VQDIYMMQHYKOKD-MIZPHKNDSA-N 479.647 1.431 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Br)n1CCOCCOC)[C@H]1CCS(=O)(=O)C1 1748810531 XPIKONNQWLNUNT-INIZCTEOSA-N 497.415 1.997 30 10 JDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)N1CCN(CC)CC1 1748855707 ICKLREDABNQSPU-IBGZPJMESA-N 453.616 1.368 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccsc1)N(C)C 1748860631 YPHNQOTZUGIAFC-RTBURBONSA-N 476.628 1.048 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1748999993 JKCVFWWOCSXCKI-XUVXKRRUSA-N 463.648 1.777 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2(COC)CCOCC2)CC1 1749009062 LSWCZWOWEKMJBD-UHFFFAOYSA-N 455.563 1.088 30 10 JDEE C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1749186330 HKXZXNWGHLDMKX-HYVNUMGLSA-N 462.576 1.976 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCCS2(=O)=O)C1 1749698677 WDHSVOCSHYXPCU-GHTZIAJQSA-N 469.608 1.136 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1749727186 PFPFCYJSMYDFBQ-SFHVURJKSA-N 461.588 1.907 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSC2(CCOCC2)C1 1749744551 LXIKXSUWOLEUCJ-OAHLLOKOSA-N 461.679 1.910 30 10 JDEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)cn1 1749851166 ACKSRAOGBOAUGI-UHFFFAOYSA-N 464.530 1.179 30 10 JDEE CC(C)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1F 1750525975 GTVUFMAPAIWWOS-LPHOPBHVSA-N 492.577 1.457 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCCc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1760189219 SNFHWQKOMCWYNA-IRXDYDNUSA-N 476.628 1.644 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)N1CCOCC1 1760200260 ACLHQLQZQDASTB-UHFFFAOYSA-N 459.554 1.376 30 10 JDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC[C@H](N1CCOCC1)C(F)(F)F 1760207023 VBLWPWHZHUQBRC-KRWDZBQOSA-N 452.481 1.127 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccsc1)N(C)C 1760233133 ITZIZQSPFJKKLP-MSOLQXFVSA-N 466.633 1.435 30 10 JDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1760250948 PDTMRSGQSBJRCM-NRFANRHFSA-N 478.601 1.894 30 10 JDEE C=C(Br)Cn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@@]1(OC(C)C)CCOC1 1760313705 DRHXQPLDKQPUJM-HXUWFJFHSA-N 497.394 1.748 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1760352251 SVJRTPUWWDZBKA-SFHVURJKSA-N 460.560 1.517 30 10 JDEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1760426958 JINPJXPXTAJEDG-UHFFFAOYSA-N 484.576 1.872 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1760517419 LUKAHLMAJZTKAZ-INIZCTEOSA-N 455.519 1.849 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1760553862 KHGVQFGTWYQROO-LJQANCHMSA-N 486.598 1.229 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(F)cc2)CC1 1760557797 WNJRLRDIYSDTBB-UHFFFAOYSA-N 476.578 1.467 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1Cc1cnn(C)c1 1761472576 CRMZRMCERKJHHM-HNNXBMFYSA-N 454.560 1.711 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)C1 1767251940 HCNVLRXVAMRYGY-GOSISDBHSA-N 455.548 1.017 30 10 JDEE CCOc1ncccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1767645409 BFFSNZWZXLDUPS-GCJKJVERSA-N 489.602 1.583 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1768526001 AFQBTBVSKOCAKC-UHFFFAOYSA-N 495.613 1.210 30 10 JDEE CS(=O)(=O)Cc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)cc1 1770326304 GNDJBOPBZYHEHK-FQEVSTJZSA-N 452.540 1.586 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)cc1 1771533977 IANLXIDSVZPTPZ-GOSISDBHSA-N 498.531 1.561 30 10 JDEE N#C[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)NCC(F)(F)F)CCO1 1771535818 AEGVGODCFHRDLC-ZDUSSCGKSA-N 460.363 1.954 30 10 JDEE CC[C@@H](C)[C@@H](NC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1)C(=O)O 1858650984 AAXRJOUENYQZGY-AUUYWEPGSA-N 472.523 1.975 30 10 JDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(OC)c(OC)c2)cc1 1859011993 UWMOQYVJECKIIH-UHFFFAOYSA-N 460.508 1.653 30 10 JDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCN2CCOCC2)=C(N)Oc2c1c(C)nn2CC 1864319460 VIAMXRQWQGQZKC-NRFANRHFSA-N 467.570 1.919 30 10 JDEE COCCN(CCOC)C(=O)[C@@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869929725 LKHNXDATMZQFFN-LJQANCHMSA-N 463.531 1.597 30 10 JDEE CC(=O)NCCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN(C)C 1870324309 FFKVRLHLOWMYSX-UHFFFAOYSA-N 457.556 1.485 30 10 JDEE C=CCn1c(C(=O)NCCCN2CCCC2=O)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873591967 XSOCPZIEUYTNCC-UHFFFAOYSA-N 453.547 1.061 30 10 JDEE CCOc1cc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)ccc1O 1874273698 JVSLPAOKGFEJMF-LOLZCCBGSA-N 460.560 1.956 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3csc(-c4cnccn4)n3)CC2)CC1 1889517098 XALMUXOMANHPCA-UHFFFAOYSA-N 454.600 1.862 30 10 JDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC(NC(=O)C(F)(F)F)C3)cc2Cl)OC1(C)C 2247896679 JBEKPHDBSQUYSD-UHFFFAOYSA-N 474.719 1.752 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2256627009 QQSFHTPHLCQZQW-HNNXBMFYSA-N 456.370 1.162 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256639282 CKJOIXUOPXSYNO-QNWHQSFQSA-N 450.370 1.747 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](S(C)(=O)=O)[C@H](Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2266065527 KILUVVWFXFXTQK-CVEARBPZSA-N 467.397 1.825 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C1CC1 2267410090 DXNPIQLGYJICII-QGZVFWFLSA-N 467.397 1.962 30 10 JDEE Cn1ncc(C(=O)N2CCOC[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267514343 XYNMOVASASUWPU-CQSZACIVSA-N 450.345 1.085 30 10 JDEE Cn1cc(C(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267514923 GZKOBQCUXCBRCR-GOSISDBHSA-N 484.362 1.487 30 10 JDEE CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267545654 MAKWCLPBZLRRFH-UHFFFAOYSA-N 451.377 1.737 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@@H]21 2267547342 IYFXVJLSSBAWKI-GJZGRUSLSA-N 465.381 1.903 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC12CN(C(=O)OC(C)(C)C)C2 2267716783 SKLPAQYXSBXRFK-UHFFFAOYSA-N 468.385 1.103 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268647981 UPPWSXWXMUWCGY-ZFWWWQNUSA-N 451.304 1.998 30 10 JDEE Cc1c(C(=O)N[C@@H]2COCC[C@H]2NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281801386 DSDJROLNZQCZMG-HUUCEWRRSA-N 464.372 1.440 30 10 JDEE Cn1cc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)[C@H]3COC[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2281979637 FOOUZGSQPYFEIJ-PMPSAXMXSA-N 462.356 1.083 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 2282003669 DPPPSWBXMGZGTB-LSDHHAIUSA-N 464.372 1.128 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](NC(=O)C(F)(F)F)[C@H](C)C1 2282006961 ZQBPLYPXIIOPLX-DGCLKSJQSA-N 458.290 1.557 30 10 JDEE COC(=O)C1(NC(=O)c2nc(C)sc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2282017948 QOSWKNZUQPOTRB-UHFFFAOYSA-N 481.380 1.643 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H]2COC[C@@H]12 2282055883 KLUIMLHEVCFVKJ-XHSDSOJGSA-N 460.340 1.140 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2282176188 QJWYIEBVJXDZHF-CABCVRRESA-N 463.388 1.928 30 10 JDEE Cc1nc(S(=O)(=O)N2C[C@H]3[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282505487 FBKLDMMMTBDGJC-FICVDOATSA-N 482.412 1.171 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CO2)C1 2282576297 OOTOANQCJNSMGO-RCDICMHDSA-N 462.356 1.607 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 2282593860 WPMDDTJXQZBDGK-CABCVRRESA-N 464.372 1.128 30 10 JDEE Cc1nc(NC(=O)C2(CNC(=O)OC(C)(C)C)CC(O)C2)ncc1B1OC(C)(C)C(C)(C)O1 2284066787 YTVUEFVGKMAAHB-UHFFFAOYSA-N 462.356 1.689 30 10 JDEE COc1ccc(S(=O)(=O)N=C2C=C3N(CCO)CCO[C@]3(O)c3ccccc32)cc1[N+](=O)[O-] 2293308493 MHANBCBILWSWAU-OAQYLSRUSA-N 475.479 1.149 30 10 JDEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)cc1OC 2326736245 XOZJTPFOSAMEHZ-UHFFFAOYSA-N 472.483 1.960 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2335456222 XWWMZSGWQQNPIB-HNNXBMFYSA-N 488.437 1.601 30 10 JDEE CO[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@@H]1NC(=O)OC(C)(C)C 2337185128 VEMGEEFPNODERP-UONOGXRCSA-N 450.345 1.083 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCOC[C@@H](NC(=O)OC(C)(C)C)C2)n1C 2362488526 XSYYFZUFXJBCLL-HNNXBMFYSA-N 464.372 1.393 30 10 JDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2364903331 TUHDWCIEVJRRSG-ZDUSSCGKSA-N 468.331 1.788 30 10 JDEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)cc(OC)c1OC 20827276 OOQPRNFWSWEKIY-IFRROFPPSA-N 478.560 1.959 30 10 JDEE C=CCNC(=O)CN1CCN(CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 23266180 WUOLBYSRNBUIIG-UHFFFAOYSA-N 455.481 1.022 30 10 JDEE CC(=O)Nc1cccc(C(=O)/N=C(\NCCN2CCOCC2)Nc2ccc3c(c2)OCCO3)c1 46135091 MDTKZXKELNAKKI-UHFFFAOYSA-N 467.526 1.946 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)c(OC)c2)c(=O)n1C[C@H]1CCCO1 603800611 ZODIJAXWGRLSJT-OAHLLOKOSA-N 491.516 1.504 30 10 JDEE CC1(C)OB(c2cnc(CNS(=O)(=O)CCCN3C(=O)c4ccccc4C3=O)s2)OC1(C)C 714637473 LMLZDNPJPWZDRN-UHFFFAOYSA-N 491.400 1.548 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C)c(F)c1 729669725 CFWMDNSXXIOTJL-UHFFFAOYSA-N 459.506 1.800 30 10 JDEE COc1cccc(C=NNc2nc(SCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n[nH]2)c1 1084240433 ATSZUNGERPMSPD-UHFFFAOYSA-N 451.468 1.874 30 10 JDEE COc1cc2c(cc1OC)CN(C(=O)CSc1n[nH]c(NN=Cc3cnn(C)c3)n1)CC2 1084522524 MPLHXIYTWUEIDP-UHFFFAOYSA-N 456.532 1.678 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286384784 RZQMFPSVCMBUJN-XMSQKQJNSA-N 466.604 1.251 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1286397969 FICFIMOVAUEKHB-FHWLQOOXSA-N 466.604 1.588 30 10 JDEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286687572 PRNNEHYMXQTNHG-OAHLLOKOSA-N 450.565 1.880 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1286780791 QSUDMVDGDJHLPC-SJORKVTESA-N 469.546 1.333 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1286794090 WJULVGVKQWEIDZ-REWPJTCUSA-N 489.665 1.299 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1286818171 COYOCFMHYFJMOD-UHFFFAOYSA-N 465.580 1.337 30 10 JDEE CCN(CC(=O)Nc1ccccc1OC)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1290591978 GLCGNDTZERBNTM-OAHLLOKOSA-N 458.540 2.000 30 10 JDEE CC(=O)NCC(=O)N1CCc2cc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc21 1297333153 BKNRHSOTFCURNK-NRFANRHFSA-N 459.506 1.114 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C2CCCCC2)CCO1 1299153814 CBKOEKXOFZOUHT-NRFANRHFSA-N 495.584 1.471 30 10 JDEE C#CC[C@H]1CCCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1299853248 QTEQPDXBACCKSB-YOEHRIQHSA-N 459.490 1.880 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC(C)(C)C1 1300310138 KUESFGSEQYQGCC-MSOLQXFVSA-N 452.625 1.191 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300488542 FDNFTULSJDGXTH-INIZCTEOSA-N 499.515 1.795 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CC1(S(C)(=O)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1300502004 OZFISYIGFQSHJS-FQEVSTJZSA-N 490.651 1.657 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(Cn2ccnc2)c1 1300557195 QLRLWWABGAYJTA-IBGZPJMESA-N 465.583 1.644 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1300684033 WLMPVERMUJEFJK-QZTJIDSGSA-N 476.603 1.120 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1300699253 ABGGZAXVDRVGMA-FPOVZHCZSA-N 474.606 1.377 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCCn2cnnn2)CC1 1300730581 BHBBIROZHQIESL-UHFFFAOYSA-N 463.546 1.208 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1300971930 HOZATTSHUWPWNV-SJORKVTESA-N 457.597 1.255 30 10 JDEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1300981304 XLZBWXMMCMUGKN-UHFFFAOYSA-N 468.558 1.474 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1301475485 SQNCIWUFPCFBSQ-SFHVURJKSA-N 460.485 1.672 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1301509629 JNUDMPDVUAKGDX-SFHVURJKSA-N 456.595 1.573 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(=O)NCCC)C1 1301554647 KLBLFMBXJPWLIL-INIZCTEOSA-N 451.531 1.500 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)CCCC2)C1 1301558481 WDYLNSMTXZUXNG-MSOLQXFVSA-N 453.609 1.973 30 10 JDEE CC(=O)Nc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cc1 1301787687 HGTXBEIVOVGUFU-BEFAXECRSA-N 475.575 1.214 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N(CCCNC(=O)OC(C)(C)C)CC(F)(F)F)C1=O 1303208957 FQTGCPCQZMCBGN-UHFFFAOYSA-N 450.414 1.269 30 10 JDEE CS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)CC3(C#N)CCCCC3)CC2)c1 1309197997 GIZYCDQGORAKEZ-UHFFFAOYSA-N 453.586 1.652 30 10 JDEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCCS(C)(=O)=O)cc1 1314198214 BDWFXBLXRZSKPV-LPHOPBHVSA-N 463.560 1.980 30 10 JDEE 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BCEIAGGBDPSPHK-UHFFFAOYSA-N 474.612 1.136 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccnc2OCC)CC1 1359040555 ZZLSZGQGVRAUBQ-UHFFFAOYSA-N 465.558 1.322 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1359047092 QNPCHMFHPGLSIN-BCHFMIIMSA-N 481.597 1.578 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc3ccccc3o2)CC1 1359049632 SYAZFWXBYJFJHH-INIZCTEOSA-N 489.627 1.723 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1359295793 OBUYSBXLTQIICX-INIZCTEOSA-N 473.965 1.950 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1359302703 QUVCQRBSBIDSFB-UHFFFAOYSA-N 463.517 1.554 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CC(N)=O)C1 1359310591 ZYXNGLGSEFKEEQ-PKOBYXMFSA-N 473.599 1.885 30 10 JDEE CC(C)c1nnc([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)N(C)C)CCO2)o1 1359675069 DIHDJWTZMSTWCN-QGZVFWFLSA-N 450.503 1.989 30 10 JDEE COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CCc3cc(C#N)ccc32)c1OC 1436664457 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C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1508090897 KLKMWAZUYIFKOE-MSOLQXFVSA-N 459.572 1.485 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1508143608 ZYKMEZUAZWHZTK-LJQANCHMSA-N 465.620 1.612 30 10 JDEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539141102 YAYJDNDXEKEKNO-UHFFFAOYSA-N 470.549 1.390 30 10 JDEE C#CCCCn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539141246 TXOPBGFZFYNTFT-KDURUIRLSA-N 473.622 1.672 30 10 JDEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539212577 RBBCQMYARHLBTQ-MRXNPFEDSA-N 480.388 1.423 30 10 JDEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(C(=O)NCCC)c1)[C@@H]1CCS(=O)(=O)C1 1539216975 YMEAXKINEREHQL-HXUWFJFHSA-N 455.584 1.970 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1539232072 ZBVPMKMGNMKQQT-UYAOXDASSA-N 471.583 1.494 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1539428654 VKDSNRJMLJQYPZ-FQEVSTJZSA-N 463.586 1.817 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)CN2CCCC2)CC1 1539462700 LHURNFOZROHECZ-LJQANCHMSA-N 455.607 1.212 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)N2CCOCC2)CC1 1539474580 UXTZXHBXQGVZMS-LJQANCHMSA-N 496.612 1.649 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)c1ccccc1F 1539669217 MULHLBVNBHCCEV-IBGZPJMESA-N 494.593 1.583 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1540137830 VSEFNSVEOFUSAM-LPHOPBHVSA-N 476.578 1.842 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1540855040 VEDJSRUXXJIEKF-UHFFFAOYSA-N 487.630 1.126 30 10 JDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1540857029 RCEHNILYWHMUQD-IAGOWNOFSA-N 465.558 1.746 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1540858412 VXYXGAJPIYTPNB-GOSISDBHSA-N 462.532 1.874 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCOCC2)C1 1540916640 DHIZFZOIKIGRLK-KRWDZBQOSA-N 471.649 1.537 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccc(NS(=O)(=O)C(F)(F)F)c1 1545776335 BYKUEMJBEWCPDG-LBPRGKRZSA-N 454.434 1.961 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1552378629 CSDPOVIWPSERIO-HUUCEWRRSA-N 468.605 1.014 30 10 JDEE CN(CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1)CC(F)(F)F 1554295818 AQXAVOCHZLWOIL-INIZCTEOSA-N 465.480 1.925 30 10 JDEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1555428957 HWEYFHGMUBQNPV-GKVQRAMASA-N 471.558 1.900 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@@](C)=O)CC1 1588646945 PUHHIFHWFTZRSE-UAIZEJDJSA-N 481.619 1.584 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cnn(CC(C)C)c2C)CC1 1588885061 RUNAZYUNZMEDQJ-UHFFFAOYSA-N 468.606 1.591 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2(SC)CCN(C)CC2)CC1 1588930266 RDWJSUBGBBDXSP-IBGZPJMESA-N 460.648 1.575 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2ccnn2C)C1 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C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1690142967 YRLJAEVTCOEOEJ-IBGZPJMESA-N 492.559 1.128 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccccc2F)C1 1690155752 NTCSSZQHKDXBMU-FOIQADDNSA-N 467.592 1.492 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CC(=O)N1CCOCC1 1690675721 CNGYDIKIFVPVNF-UHFFFAOYSA-N 456.547 1.071 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N2CCCCC2)C1 1690747076 SCNDWBOQDDQYMM-RBUKOAKNSA-N 484.692 1.595 30 10 JDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1694783572 GLRABCBXBPSKBN-NHCUHLMSSA-N 478.601 1.474 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(F)cc1)N(C)C 1705495440 PXABTSJFLULWKJ-PWIZWCRZSA-N 478.594 1.511 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Nc2cccnn2)CC1 1705516727 HYCMLCSOYUXGHQ-LJQANCHMSA-N 488.618 1.285 30 10 JDEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1705526858 QVKVTIGESOKJFL-OAQYLSRUSA-N 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30 10 JDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507746663 AWTIIDOWCKAJTB-UHFFFAOYSA-N 485.570 1.794 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1507844281 GXFSLAAAJOFHMO-GOSISDBHSA-N 469.608 1.688 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](OCCOC)C1 1508092007 PYWNHDHYJGSRME-PXNSSMCTSA-N 457.531 1.725 30 10 JDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C[C@H](C)O1 1518911434 DEEGPFBQSWGRKD-OXJNMPFZSA-N 459.572 1.882 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CCOc2ccccc2)n1CCS(=O)(=O)N1CCSCC1 1539024939 BWFGHHYDGPTHHC-GOSISDBHSA-N 463.629 1.736 30 10 JDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1539156061 ZPGVOUNJAZSPHE-IBGZPJMESA-N 453.590 1.348 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(NC(C)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1539212738 SAQDPFLOEVGNPW-GOSISDBHSA-N 468.539 1.875 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1539532702 DNOJETKKUVZJLW-ANULTFPQSA-N 463.648 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C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1690659485 UTPQMEVWKQZSOI-INIZCTEOSA-N 497.581 1.829 30 10 JDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705508887 YAPHZMFYYDJNCN-FQEVSTJZSA-N 457.623 1.743 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705567942 DFWZOCIJHGYGMM-QGZVFWFLSA-N 475.546 1.149 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1705568384 MSRIICRJMIQSBI-CVDCTZTESA-N 458.584 1.953 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@@H]2CCCCS2(=O)=O)n1 1705631641 LDFNYNNBIOVOCO-NRFANRHFSA-N 483.598 1.790 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCN(CC)C(C)C)CC1 1705638272 FELYTTUNUBYCGB-UHFFFAOYSA-N 462.602 1.678 30 10 JDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1705641099 QISAEYCOAUZJAT-UHFFFAOYSA-N 461.545 1.517 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCC1 1705700634 WOIAMUWIDSZFCD-FHWLQOOXSA-N 453.609 1.829 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nccs2)CC1 1705737025 IHZKZIXFTUURAX-KRWDZBQOSA-N 466.633 1.946 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1705890742 FVARTWYWOKNTPT-IBGZPJMESA-N 480.635 1.462 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(C(C)(C)C)CC1 1705896246 GPDLMHVWWIBVRN-UHFFFAOYSA-N 474.631 1.961 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(C(=O)NC)CC1 1705898180 DFXCZFWOUPAGDS-UHFFFAOYSA-N 491.390 1.981 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](OC)[C@H](OC)C1 1705936580 ULMDFWCIPVVOTB-OTWHNJEPSA-N 464.544 1.241 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1705937905 IFPVMQLGKVZMRF-FQEVSTJZSA-N 491.662 1.430 30 10 JDEE C[C@@H]1OCC[C@@]12CN(c1nnc(COc3ccc(C#N)cc3)n1CC(=O)NCC(F)(F)F)CCO2 1708278218 FUAVSBZCJQBDCP-YCRPNKLZSA-N 494.474 1.791 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1CCN(C(=O)OC)CC1)[C@H]1CCS(=O)(=O)C1 1722365489 DXLQFPIAWHHSQF-SFHVURJKSA-N 465.620 1.972 30 10 JDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@]2(C)CN(C)C2=O)CC1 1722442600 ZSSQXUKKDKJKQT-HSZRJFAPSA-N 454.600 1.813 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccnc(SC)c2)CC1 1722447484 LSXWVSPATFKIDD-SFHVURJKSA-N 488.639 1.311 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1722505932 KXHRCXUWFMIYQK-SIKLNZKXSA-N 470.622 1.650 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1722536200 CGDYGWHGDYPTOG-QGZVFWFLSA-N 489.664 1.023 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCOC1 1722664027 ODHXUVFNPWPHRU-FXAWDEMLSA-N 483.616 1.017 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](COC)C1 1722726712 BAXFLHXTZLENKG-LJQANCHMSA-N 489.646 1.916 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1Cc1nccs1 1723951558 COGNZVKBAOPOPQ-CQSZACIVSA-N 490.590 1.730 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCC(=O)N(C)C 1740560536 KVIHJHOJEQARDF-NRFANRHFSA-N 451.619 1.969 30 10 JDEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1740600010 HEHLTJXCCVJRJA-OAQYLSRUSA-N 457.581 1.996 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccc(F)c1 1740640757 VOCGWAYGDBRJOV-FQEVSTJZSA-N 473.574 1.801 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 1740691021 SCQZEXQJRTWHBL-PZJWPPBQSA-N 473.647 1.255 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1740787689 LRJJEIQWARBVOF-IAGOWNOFSA-N 478.623 1.403 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1740950724 FJNVLKFPVSJFTL-KRWDZBQOSA-N 475.594 1.557 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1740959537 YZZQFKJRVKQYSE-UHFFFAOYSA-N 480.617 1.475 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC([C@@](C)(O)C(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1740965511 QEZINTAEAIDMFZ-UXHICEINSA-N 475.512 1.762 30 10 JDEE C=CCNC(=O)Cn1c(N2CCCN(C(=O)C3CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740965765 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C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1748804823 LSWUAPPSVWAKQB-SDHKEVEOSA-N 498.671 1.247 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748809190 KKNNKBRAKCGPND-MRXNPFEDSA-N 479.006 1.925 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1748823875 DKQCNLQEOKKSAZ-YQVWRLOYSA-N 463.604 1.126 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@@H]1C 1748858017 JWFJXXRVGFGYLZ-PMACEKPBSA-N 472.590 1.380 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1c[nH]c2ccccc12 1748858115 MTJJGMMUOLPGHB-QFIPXVFZSA-N 480.594 1.798 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCCC(C)(C)C2)CC1 1749015567 HGWYUNMYPHTJQJ-UHFFFAOYSA-N 469.634 1.488 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N(C)C)CC1 1749039206 QRBWJNPYVYUDOW-KRWDZBQOSA-N 453.634 1.241 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nc(C)no2)CC1 1749119704 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451.980 1.720 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1760565576 ADBRCGLBXXBMRS-SOABOVLPSA-N 471.649 1.127 30 10 JDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C)C(C)(C)C2)CC1 1765655981 FFWXAGCKYLNOGO-UHFFFAOYSA-N 479.633 1.694 30 10 JDEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1769566693 FMMJKSWBFLEPRZ-ROKPMTFOSA-N 468.558 1.764 30 10 JDEE CS(=O)(=O)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1771353383 ICBIYSBQWQFOBW-QGZVFWFLSA-N 475.550 1.001 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1772567252 SYEGDXLOCFMNFF-MZNJEOGPSA-N 487.605 1.411 30 10 JDEE C=CCNC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 1861264562 REKQVJCORKZIMW-KRWDZBQOSA-N 465.337 1.870 30 10 JDEE N#Cc1nnn(-c2cccc(Cl)c2)c1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155668 ZBCQJNZISYVLKR-UHFFFAOYSA-N 451.786 1.935 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CCOCCO)c(CN(C)C)cc2=O)nc1C 1870323241 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1.969 30 10 JDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 1208449642 UBBRGBNBHCMKJN-LLVKDONJSA-N 451.320 1.477 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2OC)CC1 1286294470 DIGZTNIOMFVOSE-YLJYHZDGSA-N 473.599 1.809 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1286394896 QCFKHYJRTQWRIJ-CXUOOODFSA-N 484.644 1.012 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCOC(F)(F)F)CC1 1286494100 JNXPVGSUQXXKRJ-IRXDYDNUSA-N 473.496 1.894 30 10 JDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1286505976 OKUIIANYQYPDKR-UHFFFAOYSA-N 456.616 1.454 30 10 JDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286508989 ZSDMYZLXLKXIFT-UHFFFAOYSA-N 455.588 1.205 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1286629027 IDACMCUPSJNGMW-QGZVFWFLSA-N 497.025 1.097 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1286778343 AETNHBBXPUMASN-GOSISDBHSA-N 480.573 1.375 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1286787642 HRYKGIHFWKSZDK-SFHVURJKSA-N 493.033 1.458 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1286789622 GVIHBARMNCOVHS-CVEARBPZSA-N 461.567 1.052 30 10 JDEE C#CCCCn1c(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)nnc1[C@]1(OCC)CCOC1 1300425447 USHMTYYYUNATFM-OFVILXPXSA-N 472.634 1.867 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1300488635 TZLINANDJNLLNN-DLBZAZTESA-N 478.596 1.015 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300496870 VPDRLOYWIVJRNF-ZWKOTPCHSA-N 481.619 1.714 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(CC)c1 1300537684 IJRRLHACALCNSX-IBGZPJMESA-N 453.547 1.924 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CC3(CCOCC3)C2)CC1 1300712372 QJJKPLFDQUDKEA-QGZVFWFLSA-N 492.646 1.061 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1301223295 QXJAMLJBRIMZLZ-VQTJNVASSA-N 466.652 1.889 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1301457862 DTGPSYZXCQSPCM-GFCCVEGCSA-N 461.470 1.033 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1301574989 ABVHYBAXAYXGCW-BEFAXECRSA-N 475.571 1.278 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CC1 1301758002 FZKXWEJDXOTECR-SFHVURJKSA-N 453.547 1.118 30 10 JDEE C#CCOc1ccc(F)cc1NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 1310370486 BTFJNIOXLFBSRP-HOTGVXAUSA-N 454.524 1.341 30 10 JDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C1 1315102546 ICTMVHKLFIJNCK-GOSISDBHSA-N 455.515 1.660 30 10 JDEE COc1ccc(S(=O)(=O)N2CCC(NC(=O)COc3ccccc3C#N)CC2)cc1OC 1354016022 HYRXPDOSRRAFIY-UHFFFAOYSA-N 459.524 1.924 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCc1ccco1 1358876577 MQGANDWESCKGSA-MRXNPFEDSA-N 470.555 1.563 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1OCC)[C@H]1CCS(=O)(=O)C1 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C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NCC)CC1)c1ccccc1 1359138707 BHVCQUCZOLKCDZ-HXUWFJFHSA-N 472.615 1.152 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1359293285 LXUPDEQVINDPCX-SJORKVTESA-N 488.662 1.768 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cl)=C(Cl)C1 1359333395 WJXFVUBLZJCJCU-LBPRGKRZSA-N 469.416 1.680 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)c2ccccc2C1 1359343322 QQPTWFPNCVCOJM-FQEVSTJZSA-N 492.671 1.987 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC[S@](=O)C(C)(C)C 1360240209 DBDXNLGBUUCFAL-RZCFMFBHSA-N 487.634 1.340 30 10 JDEE C=CCN1CC[C@@H](N(C)C(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccccn3)c2)C1=O 1472552669 NGUQDNQHVNVJQG-GOSISDBHSA-N 458.540 1.428 30 10 JDEE CCC(O)(CC)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1497411987 HMBREASSZHIBJQ-LPHOPBHVSA-N 476.603 1.889 30 10 JDEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO2)CC1 1501901114 DSSXQCOMHSSPCR-OAQYLSRUSA-N 451.575 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C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1689994440 YGEUWHSIQQOJHM-LJQANCHMSA-N 489.623 1.343 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1689996209 FBMITXRFCXLLGR-LJQANCHMSA-N 484.582 1.757 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689996731 NHONDRWCZLAABB-GOSISDBHSA-N 475.546 1.149 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1689998881 ZVJJNVWUNIOLKR-BURNTYAHSA-N 479.647 1.503 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1690059523 RGPHOXMURDPXCA-IKGGRYGDSA-N 468.624 1.993 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1690345811 DDQLSOYKNDUERB-OAHLLOKOSA-N 467.983 1.366 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(C)=O)CC1 1690433436 WCZXTYRUDGNSIY-SFHVURJKSA-N 468.624 1.318 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1690465194 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GDAXKCLBPFYDNL-QFBILLFUSA-N 488.614 1.760 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1705524842 TUXDXXQDWKMBEV-SFHVURJKSA-N 464.636 1.921 30 10 JDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1705534184 BGOJCVNZYNTZAM-IAGOWNOFSA-N 469.608 1.869 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705561414 TXUDASDEIZZERU-MOPGFXCFSA-N 487.630 1.528 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705565586 HTPUYJIFESHEFK-ZWKOTPCHSA-N 462.620 1.120 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cn(CCCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1705566851 REKVICMONSCOKZ-WOJBJXKFSA-N 487.630 1.599 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1705577292 ZFPITIZQKZJVCQ-BWKNWUBXSA-N 497.621 1.996 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CC(OCC)C1 1705580533 LVIPKSGTLOASLY-UHFFFAOYSA-N 456.572 1.241 30 10 JDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)C(C)(C)C 1705626853 LGBNGCZKHSSNHQ-UHFFFAOYSA-N 451.549 1.305 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](CC)Oc2cccc(F)c2)CC1 1705633015 HKUVWHRQKAZAQH-IEBWSBKVSA-N 478.594 1.640 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=O)N(C)C2CCCCC2)CC1 1705635088 QUDUHUQGDYNEBX-RUZDIDTESA-N 472.634 1.865 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(=O)NCC2CC2)CC1 1705639252 JSWHZWQBRFJRBM-HXUWFJFHSA-N 485.633 1.674 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1705649931 IYPNZVHJHNWQGB-XMMPIXPASA-N 454.550 1.040 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2([S@@](C)=O)CC2)CC1 1705650054 JWKKKLYCKINBOX-UUWRZZSWSA-N 483.638 1.949 30 10 JDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ncc(F)cn2)CC1 1705652101 PTLVCCIGMOUEGU-UHFFFAOYSA-N 460.583 1.819 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1705721427 ZCHGCFVOSRBXCB-CEXWTWQISA-N 481.667 1.281 30 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1730788148 AEZOGZUMVPDYDL-UHFFFAOYSA-N 458.588 1.410 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCC(F)F 1740549270 LHLUPKJZIOYSIJ-CQSZACIVSA-N 457.485 1.904 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN1CCCS1(=O)=O 1740549358 FSUGJLSIVJMJHM-KRWDZBQOSA-N 480.635 1.886 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1740567251 PAXDWVSCGCERJF-WOJBJXKFSA-N 465.668 1.297 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1740615489 FQKYBXZWXMJTEY-OALUTQOASA-N 462.620 1.015 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1740623109 OLPIKPDMGBGGOU-HNNXBMFYSA-N 457.585 1.737 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1740686849 XNPLZDMSLDOXHB-IAGOWNOFSA-N 469.608 1.522 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCCCS(C)(=O)=O)CC1 1740709357 FTCANJIPPPZHGU-GOSISDBHSA-N 451.593 1.310 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(=O)NC)C1 1740958955 HVUSETDPXRCDDK-RUZDIDTESA-N 492.584 1.330 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)[C@H](C)C1 1741055316 HTBOHPRWQTYJBA-XMSQKQJNSA-N 468.558 1.981 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1748802126 LMJDZMXPECSPCJ-FQEVSTJZSA-N 472.615 1.769 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C2CC2)c1)[C@H]1CCS(=O)(=O)C1 1748805498 SNMLPKHEFUWBGP-UZLBHIALSA-N 491.639 1.441 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748811158 CMRYOFUGWNXLEE-NZQKXSOJSA-N 468.583 1.603 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCN(CC)S(C)(=O)=O)CC1 1748984645 OXQYEIWOLYIITG-UHFFFAOYSA-N 488.614 1.143 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1748984683 PLGNZFCEBLSSQJ-QHCPKHFHSA-N 479.629 1.652 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCN2CCCCC2=O)CC1 1749009052 LLKWYOSISXBVQM-UHFFFAOYSA-N 450.547 1.104 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1749193459 JWJKLZIFLMDVEJ-HXUWFJFHSA-N 493.605 1.900 30 10 JDEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(S(C)(=O)=O)CC1 1749229477 KVICHYNXYIBQDX-IBGZPJMESA-N 463.560 1.465 30 10 JDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)c1ccccc1 1749242412 ICKQGSZKKKXNGH-MSOLQXFVSA-N 496.659 1.367 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749655721 QEVPOAWGDHRZDF-UHFFFAOYSA-N 496.373 1.931 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1749666090 GWAQUUZLSRVFHU-SFHVURJKSA-N 451.531 1.060 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2ncccc2C#N)CC1 1749676043 BQZKYZOMZUAGAF-UHFFFAOYSA-N 460.517 1.903 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(OCC(N)=O)CC1 1749723657 BHVYVKPQEGKVQK-UHFFFAOYSA-N 498.609 1.873 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1scnc1C 1749735398 RVGUVBGGLXAPLA-AWEZNQCLSA-N 459.619 1.182 30 10 JDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1760132524 KBLUZQZNGZTGFF-SFHVURJKSA-N 493.655 1.918 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(C=C)cc1)[C@H]1CCS(=O)(=O)C1 1760180718 JWHIQCVPMOGJQA-XLIONFOSSA-N 491.639 1.401 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1760185653 AMQBTZIJNUZXOB-VAMGGRTRSA-N 497.687 1.071 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760192508 JLJVIDBSYYHHGM-QZTJIDSGSA-N 483.635 1.944 30 10 JDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)Cc1ccccc1 1760207027 VBRUEJIDPBVUQF-UHFFFAOYSA-N 450.568 1.828 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CCC[C@@H]2C)n1 1760252436 NQAKHVSIIIVBII-FDDCHVKYSA-N 452.563 1.712 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(COC)CCC2)CC1 1760255530 KDPNGSZXLILDQX-UHFFFAOYSA-N 457.600 1.921 30 10 JDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1760277246 FGHHXZRUVSHSHW-INIZCTEOSA-N 451.560 1.379 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1760312667 BZBMLRBLXPMDOA-PKOBYXMFSA-N 482.651 1.696 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760526609 QQCRFCCDQYHLAG-QHCPKHFHSA-N 454.531 1.807 30 10 JDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1760564465 ABLOTUABKILPQO-KRWDZBQOSA-N 457.604 1.912 30 10 JDEE CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1761041256 GKAZOOQFZYBVPU-DENIHFKCSA-N 459.572 1.476 30 10 JDEE Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(Cc3ccc(C#N)cc3)CC2)n(C)n1 1762394748 FEVQJARAHCWPSI-SFHVURJKSA-N 497.629 1.172 30 10 JDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)CC1 1766567280 HHOMGOKPJLFTRU-UHFFFAOYSA-N 461.574 1.589 30 10 JDEE CCS(=O)(=O)NCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@](F)(C#N)C1 1766720075 ARNTVXDYZFGGPD-HXUWFJFHSA-N 463.539 1.529 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1766724796 FNNLPHKLPZFLNA-GOSISDBHSA-N 471.587 1.251 30 10 JDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCN(C(C)C)CC1 1767574041 CSNXZGRDUAJNFH-SFHVURJKSA-N 453.591 1.870 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1772567244 ZOCRMKKDNYDHKF-MRXNPFEDSA-N 495.631 1.098 30 10 JDEE CC(C)(C)OC(=O)N1CC2(C1)[C@H](C(=O)ON1C(=O)c3ccccc3C1=O)CCS2(=O)=O 1772787723 QNPIZMUWZXPWMS-AWEZNQCLSA-N 450.469 1.165 30 10 JDEE N#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)N3CCC(C(N)=O)CC3)cc2)c1 1858651171 HYLBSJWKNZBWJP-UHFFFAOYSA-N 469.523 1.084 30 10 JDEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(O)c(O)c1 1865723343 NFBWHXBEQBRUPX-QGZVFWFLSA-N 472.542 1.667 30 10 JDEE NS(=O)(=O)c1ccc(NC(=O)[C@H](N=C2NS(=O)(=O)c3ccccc32)c2ccccc2)cc1 1869934654 OPFZRTCKQVEJOL-LJQANCHMSA-N 470.532 1.753 30 10 JDEE COc1cc(C(=O)NCC(=O)Nc2c(C#N)nnn2-c2ccc(N(C)C)cc2)cc(OC)c1OC 1870140352 MTQXDGIYFVUFRO-UHFFFAOYSA-N 479.497 1.599 30 10 JDEE C=CCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN(CCO)CCO 1870324225 AOTXZLYIIKXDEQ-UHFFFAOYSA-N 472.567 1.260 30 10 JDEE C=CCn1cc(OCC(=O)Nc2cccc(C(C)=O)c2)c(=O)cc1CN1CCN(CCO)CC1 1870646994 LVRBJQKGZJLPEY-UHFFFAOYSA-N 468.554 1.364 30 10 JDEE C=CCn1cc(OCC(=O)Nc2cc(C)ccc2C)c(=O)cc1CN1CCN(CCO)CC1 1870760945 MBERFFLQORVCMH-UHFFFAOYSA-N 454.571 1.779 30 10 JDEE C=CCn1c(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)cc2c(N(CCO)CCO)ncnc21 1873595223 TYVVBZNCBRAFFT-LJQANCHMSA-N 459.934 1.525 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255639213 OHQUBUMHYOKBQQ-CYBMUJFWSA-N 453.370 1.808 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1(C)CN(C(=O)OC(C)(C)C)C1 2255751783 CQZJWRZAMGFWMO-UHFFFAOYSA-N 456.374 1.007 30 10 JDEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCCO1 2256677989 JMFMHYRDFZDOTL-LJQANCHMSA-N 454.358 1.272 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2267161542 CLOWNPKRLKPJDS-UHFFFAOYSA-N 466.369 1.635 30 10 JDEE 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C=C(Cl)Cn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286634887 FCILZVPXPXHWCI-NRFANRHFSA-N 455.003 1.718 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)CCC)C1 1286786709 XTVZATCKKMBGNB-HNNXBMFYSA-N 457.535 1.193 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1286791277 XIQSDSJOUWXADN-IBGZPJMESA-N 492.584 1.865 30 10 JDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286835132 RFKOGNFZLPLWLO-UHFFFAOYSA-N 456.638 1.180 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(CC)(CC)SC)[C@H]1CCS(=O)(=O)C1 1300479373 MVRGZNJEBWIBAD-INIZCTEOSA-N 455.650 1.965 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1300495874 KGHAYSMVZMIOMK-JKSUJKDBSA-N 482.653 1.479 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H](C)N1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1300502329 RXFUWEAZFSNZHB-VWNXMTODSA-N 498.697 1.716 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCn2cc(C)nc21 1300631692 VNTRVBJJDAROIG-MSOLQXFVSA-N 461.592 1.153 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)C(=O)NCC)CC1 1300685712 SIEHKXIEVJFBMR-UHFFFAOYSA-N 476.423 1.964 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCC[C@@H]2OC)CC1 1300731944 IYECUGUEAABBAE-TUFLPTIASA-N 459.591 1.783 30 10 JDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300742433 IWKZDLIURDIMKG-UHFFFAOYSA-N 458.613 1.949 30 10 JDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1300743643 WSQJNFROWZLYCS-GOSISDBHSA-N 459.553 1.846 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](N2CCCC2)C1 1300989959 HPNJVARILDRAAC-UXHICEINSA-N 482.651 1.268 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(-n3cncn3)c2)CC1 1301106959 YYWCMCKXLQLWCW-MRXNPFEDSA-N 456.576 1.920 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1301436193 TXAIHLGIYCCLSO-UHFFFAOYSA-N 485.570 1.592 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H]2CCCCO2)C1 1301555471 BYXMHXDJOBOYIH-QRVBRYPASA-N 469.608 1.352 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](C(=O)NC)C1 1301576537 DFIWPHRGMMEHBA-INIZCTEOSA-N 477.587 1.526 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCN(C)C(=O)[C@@H]1C 1301578332 XPJNKLDGXVTZGS-AWEZNQCLSA-N 482.404 1.975 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1301587067 LUZONGXJZQAMDC-SFHVURJKSA-N 490.561 1.082 30 10 JDEE CCCNC(=O)Cn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@]1(OCC)CCOC1 1313498898 ARLDEJTZQOPUBZ-QHCPKHFHSA-N 468.562 1.050 30 10 JDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1316125085 FNHLILXLCPQILI-IBGZPJMESA-N 458.588 1.410 30 10 JDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCN(CC(F)(F)F)C2)CCO1 1316538705 AGNIYTZGIMQAGO-LSDHHAIUSA-N 483.520 1.883 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)NCC(F)(F)F 1358895708 PDVCJMAFQZVBIF-GOSISDBHSA-N 477.535 1.779 30 10 JDEE C#CCCCn1c(-c2cccn2C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1358926161 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C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(C)=O)CC1 1359090983 HZMXUSHUYRHTAW-QUCCMNQESA-N 453.547 1.965 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(C)c2)CC1 1455114952 IZULTEUVVNBXAX-LOSJGSFVSA-N 480.634 1.822 30 10 JDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H](C)O)cc1 1463586594 CNWKRNQTQZCNSM-GCJKJVERSA-N 456.568 1.239 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1507540664 FWSIOUWFKPUGME-FPOVZHCZSA-N 478.601 1.089 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2ccc(C)n(C)c2=O)c1 1507549960 RHBIBPRLXPPFSR-UHFFFAOYSA-N 468.521 1.847 30 10 JDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507553035 CMTDVDZPZYKWGU-UHFFFAOYSA-N 465.558 1.804 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1507630181 UMHGFRQQJLUPHO-QZTJIDSGSA-N 462.547 1.907 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1OCC(C)C)[C@H]1CCS(=O)(=O)C1 1507631349 CUQSVWXOYRFZKO-PMACEKPBSA-N 485.610 1.939 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1507633306 FTSDRAUCCODONI-HNNXBMFYSA-N 465.526 1.300 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCSc1nccs1 1507654096 VPUUVFVHZNYVMI-INIZCTEOSA-N 480.641 1.323 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1507712564 IQMQTPPUHVPUQA-WOJBJXKFSA-N 453.543 1.840 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2c3ccccc3C[C@H]2C)CC1 1507719809 BDKWAZMKZVSQAV-MOPGFXCFSA-N 471.631 1.095 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2nccn2C(F)F)CC1 1507740781 YWTMGENSYWIYIV-UHFFFAOYSA-N 454.485 1.870 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCO[C@]2(CCOC2)C1 1508147814 CHOKSUDGAHDDIL-OAQYLSRUSA-N 466.535 1.593 30 10 JDEE CCO[C@@]1(c2nnc(N3CCN(c4cccc(F)c4C#N)CC3)n2C[C@@H](COC)OC)CCOC1 1516211845 BMVZLWMXMVOKSO-UUOWRZLLSA-N 488.564 1.929 30 10 JDEE CC(=O)N[C@@](C)(C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1)c1ccc(S(C)(=O)=O)cc1 1536669159 YXRVWDYGZVAXTE-FYYLOGMGSA-N 455.536 1.913 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(OC2CCCC2)c1 1539013074 HWXLOVZYGPEGBZ-YLJYHZDGSA-N 488.614 1.834 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1539428540 SVFMONRLAVRIDB-GOSISDBHSA-N 459.595 1.430 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC(=O)N(C)C)CC1 1539469990 WSWFHVYWNANDTM-UHFFFAOYSA-N 490.406 1.490 30 10 JDEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539793239 AGLWMSWNMQWKDG-AWEZNQCLSA-N 477.978 1.415 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1540866710 XPOUJHRBAOBYAY-UHFFFAOYSA-N 453.547 1.640 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)(C)C)CC1 1540871802 ULNFBIBJKUSSPL-GOSISDBHSA-N 491.637 1.809 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)c2ccccc2)C1 1540892962 UTMQVFWSLGYAHM-ROUUACIJSA-N 480.612 1.435 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nc(O)c2sccc2n1 1540897137 BORXWNCEUVKXQL-UHFFFAOYSA-N 491.599 1.462 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1540902124 AZHXPRZCQJKWIV-RTBURBONSA-N 459.572 1.878 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCC(O)CC1 1541112489 HYURVJWYLTYXBE-KRWDZBQOSA-N 464.574 1.635 30 10 JDEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1cc(C)n(C)n1 1548372571 LCUDZAUJSNHZHD-IBGZPJMESA-N 478.475 1.713 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccncc2)n1CC1(O)CCS(=O)(=O)CC1 1554149884 BTWJTFMENNOYJS-UHFFFAOYSA-N 466.567 1.712 30 10 JDEE COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N(CCC#N)CCN1CCOCC1 1561219970 DZWSZKPINXGFNO-UHFFFAOYSA-N 458.968 1.287 30 10 JDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc2c(n1)CCCC2)[C@@H]1CCS(=O)(=O)C1 1588035915 ZKMRAQHAHQUKOA-WIYYLYMNSA-N 487.626 1.951 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCCN1CCCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1588049509 HLLANBLPHSVPRD-HXUWFJFHSA-N 470.599 1.760 30 10 JDEE C#CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1588069496 PGLIZPZRBJVCIK-LJQANCHMSA-N 497.625 1.958 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2CCN(CCN(C)C)CC2)CC1 1588864460 DMUBUQSNHZTYSP-UHFFFAOYSA-N 498.701 1.298 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(S(C)(=O)=O)CCC2)CC1 1588877010 RCEJMDGORSNSCN-RTBURBONSA-N 463.648 1.919 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCNS(=O)(=O)c2ccccc2)CC1 1588954975 NOLLENRRJJOAHL-UHFFFAOYSA-N 470.599 1.175 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1589481823 CPJDESSTKZSPGR-RBBKRZOGSA-N 489.665 1.778 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1589568478 JYFQHQGSXUVIDW-SCWSEQNSSA-N 459.522 1.929 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCCC1)C1CC1 1595058701 UJAXVSJVZAIHLJ-GOSISDBHSA-N 453.609 1.851 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCS(C)(=O)=O 1595501379 RNWPJMWVIHMXIO-UHFFFAOYSA-N 470.393 1.799 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(N(C)C)nc2)CCO1 1596640677 BACBXLXXMOZUMZ-NRFANRHFSA-N 460.542 1.667 30 10 JDEE CCCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@@H](C#N)C1 1614975321 CAYJZBMBIOUDAK-AWEZNQCLSA-N 463.336 1.971 30 10 JDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1618815165 DIINFQZXKYDDGL-IBGZPJMESA-N 465.558 1.607 30 10 JDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N(CCN3CCOCC3)Cc3ccco3)C2=O)cc1 1686341218 FMXZRTPUADEESI-QFIPXVFZSA-N 451.527 1.796 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1689977788 CUMFOXPGENJNRD-FQEVSTJZSA-N 486.598 1.300 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1689992130 HYMRYWXLDIWRBS-QGZVFWFLSA-N 456.490 1.916 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1689996293 GSBYPVHROLPOIM-MRXNPFEDSA-N 462.601 1.117 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)c1ccccc1 1690046946 INNXGAHIMLIGET-NRFANRHFSA-N 453.568 1.787 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2OC(F)F)CC1 1690125034 ZCHKAWFNTWSXHL-KRWDZBQOSA-N 465.526 1.585 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCN/C(O)=C1\N=CC=CC1=O 1690189320 WYBVPRUCQJCSHM-KBDAKURLSA-N 453.547 1.715 30 10 JDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1690299200 JIJIXENQCLHZRD-PZJWPPBQSA-N 475.638 1.388 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1690484735 CDECNZVTFVKWEK-IBGZPJMESA-N 490.634 1.311 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1690670650 GNMAKEMKZLYIOK-OSPHWJPCSA-N 487.605 1.554 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1690671857 APZLLAMKSDMPIF-YLJYHZDGSA-N 468.558 1.835 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)C[C@@H]2C)cc1 1690679439 UYIGREWPLYCDRU-HOTGVXAUSA-N 462.576 1.168 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](CC)N2CCCC2)C1 1690699150 ABXLRLSHVDQZTO-XUVXKRRUSA-N 482.651 1.267 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCNS(C)(=O)=O)C1 1690714705 RZOKFRFRTYRYRC-KZNAEPCWSA-N 455.625 1.917 30 10 JDEE C=CCSCCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1690752575 MBEJVDRNFUFYRU-QFIPXVFZSA-N 480.635 1.424 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705490161 CZPRFRZRGUXCDV-QZTJIDSGSA-N 497.625 1.804 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1705493111 CHBRFILXSFMYNY-KFGODFMUSA-N 458.563 1.712 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(Cl)cn1 1705495407 PHFKGXCFNBTQAO-ZBFHGGJFSA-N 468.967 1.196 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2nccnc2C)c1 1705506556 BGAHFHAQMHLHSF-IBGZPJMESA-N 493.593 1.578 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2OC)CC1 1705534141 AIASWOAMPNRAMY-OAQYLSRUSA-N 488.614 1.360 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CCc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1705560222 IPNSXSOEIKHKOR-LJQANCHMSA-N 457.600 1.805 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCS(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1705563205 SKZZUIOGYINSFV-IBGZPJMESA-N 479.628 1.026 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CCc2ccccc2)C1 1705582613 FMAJDGLMRVAHTH-XZOQPEGZSA-N 465.623 1.818 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnnn1CC1CC1 1705607159 SDJAHVQOILZSME-UHFFFAOYSA-N 469.575 1.100 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705663845 DYHDWNZOKPMQOY-UHFFFAOYSA-N 465.649 1.272 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cnn(C)c2)CC1 1705805816 OWRLLBVNYYLLDL-IBGZPJMESA-N 478.623 1.027 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(Cc2nc(COC)no2)CC1 1705899534 WKBGOYFUZCXTRH-UHFFFAOYSA-N 470.509 1.238 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1705932219 PIFITJBHRQJJHT-MRXNPFEDSA-N 450.565 1.054 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1705933888 UWVXGOKSTLWLJF-UHFFFAOYSA-N 467.617 1.190 30 10 JDEE CN(C)C(=O)COc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)c1 1710991271 HRGPWRNCGAHYCH-LJQANCHMSA-N 486.598 1.435 30 10 JDEE CN(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)c1c(F)cccc1F 1710997606 BWUQORXACBDFSL-CRAIPNDOSA-N 459.501 1.710 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccc(C)cc1 1722333693 XWKLOHOIHVPXOO-HXUWFJFHSA-N 461.588 1.848 30 10 JDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1722335584 FUYGJKKAHNILMT-LJQANCHMSA-N 456.572 1.295 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1722366312 QYFGAEQKPSDVNR-IAGOWNOFSA-N 477.562 1.662 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1722440354 DMRPHEOJRALKKX-FCHUYYIVSA-N 494.596 1.653 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNS(=O)(=O)c2ccccc2)CC1 1722560144 QHZLAAIJHYDQMW-INIZCTEOSA-N 468.605 1.023 30 10 JDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1722697209 HHPFMAMXRBJANV-UHFFFAOYSA-N 492.628 1.729 30 10 JDEE CC(C)(C)CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1722962126 BDQQYRUOOQJTTQ-XMMPIXPASA-N 486.642 1.925 30 10 JDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1CCS(=O)(=O)CC1 1729066411 DCQKHGJWKBKAOR-UHFFFAOYSA-N 459.576 1.233 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCNS(C)(=O)=O 1740552289 WWKZXHIGSBMNDJ-HNNXBMFYSA-N 457.560 1.072 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCS(=O)(=O)N1CCSCC1 1740558504 WEXDHVCCIVXINB-MRXNPFEDSA-N 467.592 1.833 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCN2CCN(CC)CC2)CC1 1740703787 DZTBPCYNJZMWIL-UHFFFAOYSA-N 463.630 1.939 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)OC(C)(C)C)CC1 1740704551 PYOJNVQZJAEURP-UHFFFAOYSA-N 454.535 1.226 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1740958594 RKBJIGMQMNIYGD-NVXWUHKLSA-N 475.594 1.661 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCOCC2)c1 1741801606 BRHDPKBGYMFTKP-MJGOQNOKSA-N 458.588 1.803 30 10 JDEE Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)c(N2CCOCC2)c1 1742230594 HYWBPHQHKJATGD-QUCCMNQESA-N 472.615 1.969 30 10 JDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1747418939 CFCGTBPXBHGFQP-GOSISDBHSA-N 488.614 1.857 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOC(C)C)c1 1748692662 KVIGOYOOMBLGCO-GOSISDBHSA-N 459.572 1.661 30 10 JDEE COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)c(OC)n1 1748812765 FLLIIBWQJIAZBG-IERDGZPVSA-N 460.560 1.771 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1748858057 LDTBACQAMHYCNR-FUHWJXTLSA-N 488.639 1.313 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncnn1C(C)(C)C 1748950230 GGXYXLHWMDAMLZ-UHFFFAOYSA-N 471.587 1.829 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCOC(C)(C)C2)CC1 1748979915 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C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1760191463 HSGRYAAJVOEUKP-GCJKJVERSA-N 494.017 1.204 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccc2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 1760193361 XTMLBBIRPLBQPT-GOSISDBHSA-N 460.556 1.651 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc2c(c1)OCO2 1760205399 AKRCQYDVKGSYOT-OAQYLSRUSA-N 499.593 1.390 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCC(C)CC2)nc1 1760248628 PAUIDLVWACMSIV-FQEVSTJZSA-N 451.575 1.995 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCc3cc(OC)ccc32)CC1 1760254510 YZHKSFWBYAIWAL-UYAOXDASSA-N 486.642 1.772 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCC(=O)NC(C)C)CC1 1760254727 IBIAQCFYRZWVRZ-UHFFFAOYSA-N 470.574 1.641 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc2c(c1)OCO2 1760440258 FLYAVOLPGODMBT-IBGZPJMESA-N 463.560 1.942 30 10 JDEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760712554 DXNHKRFPOXBHAC-UHFFFAOYSA-N 492.628 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C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1286389759 QBIGOTFHXHWWIW-DMUMMCEESA-N 463.604 1.307 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1286391427 ILALHRGRCJXOHX-KRWDZBQOSA-N 480.019 1.811 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1286406658 CGPXPRHURDPEQM-ZNTNEXAZSA-N 466.505 1.730 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1286459848 VDBGHXVVOUWSSU-HXUWFJFHSA-N 451.531 1.796 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1286481240 UEHUVQHDQLSSHZ-LJQANCHMSA-N 485.658 1.656 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2nnc(C)s2)CC1 1286486327 LGWFLVCFIPYZQX-UHFFFAOYSA-N 458.592 1.371 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCC2CCOCC2)CC1 1286487204 SPFCMAJVRUGLQJ-UHFFFAOYSA-N 458.607 1.979 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1286587735 RXSRJOJATLDTDH-PKOBYXMFSA-N 458.588 1.829 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OC1CCCC1 1286726750 IHQQBBJJLGKUCT-IBGZPJMESA-N 476.603 1.998 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)N(C)C 1286742176 OELMTZFOMAOJOT-LJQANCHMSA-N 492.627 1.136 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286793719 KHGYHENERMTSBW-IEBWSBKVSA-N 482.651 1.359 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(c2nc(C)no2)CC1 1286823775 QWGHFGJQECJLLS-UHFFFAOYSA-N 463.564 1.077 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1N1CCCC1 1300306930 ALZBKZRDQPRYHV-LAUBAEHRSA-N 490.605 1.857 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccnc1)C(C)C 1300309288 SLXKXAUYHOZCHR-YSIASYRMSA-N 460.604 1.904 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1300502844 YNJQLPFINNYJGA-INIZCTEOSA-N 496.515 1.489 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(C)COCCO1 1300559766 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CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1303410974 CPABUVXALXTRPY-WIYYLYMNSA-N 467.574 1.414 30 10 JDEE Cc1nc(S(=O)(=O)N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H](C)N(C)C)CC2)cn1C 1304688790 HJPQVDKLFSGMNR-QGZVFWFLSA-N 497.629 1.320 30 10 JDEE COCC[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1315969872 GVIIUSYRRFVXNS-WZONZLPQSA-N 471.537 1.354 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 1316138519 DFGYNYLNVXGEKX-JOCHJYFZSA-N 458.588 1.365 30 10 JDEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCS(=O)(=O)C1 1358955557 OGZBSCPLIGRYAD-FCHUYYIVSA-N 471.627 1.929 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1CC(=O)N(CCOC)C1)[C@@H]1CCS(=O)(=O)C1 1358960141 YCGPVQGCEGRZHL-WOJBJXKFSA-N 485.610 1.375 30 10 JDEE C#CCN(c1nnc(CC)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)[C@@H]1CCS(=O)(=O)C1 1358963895 PQLXOZYBWGRSRL-UXHICEINSA-N 471.583 1.633 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1358965444 VJICJHWYTHVRDA-RXVVDRJESA-N 494.712 1.698 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(C)(C)OC)CC1 1359043656 CKSYAVSDZAPZRD-UHFFFAOYSA-N 463.542 1.985 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC(=O)NC)CC1 1359047200 WBCFHFYUHFFIOU-UHFFFAOYSA-N 452.559 1.576 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(O)cc2)CC1 1359091873 UDMDKSJIEYXELB-LQWHRVPQSA-N 490.630 1.902 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)ccc2C1 1359227463 BUXFLVFVOQGPLD-FQEVSTJZSA-N 479.578 1.906 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359292596 SVXOUXGPRLWZKE-QAPCUYQASA-N 465.551 1.873 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1359296372 HGHHPAKSQYGBKC-UHFFFAOYSA-N 452.544 1.954 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1359302511 JPWARYNDKHQZOH-KRWDZBQOSA-N 452.519 1.650 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1359302512 JPWARYNDKHQZOH-QGZVFWFLSA-N 452.519 1.650 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1359305708 KVFBCBWNNPLADJ-ZBFHGGJFSA-N 459.528 1.995 30 10 JDEE C#C[C@H]1CC[C@H](NC(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)CC1 1478307477 ZOLDUPZDKNIKHE-WKILWMFISA-N 457.574 1.282 30 10 JDEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)CC1 1501901038 BELMFXALSMSANX-UHFFFAOYSA-N 466.590 1.332 30 10 JDEE CN(C[C@@H]1CCCOC1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1503550069 DEQTZNMWRGSWQP-IBGZPJMESA-N 454.531 1.450 30 10 JDEE COCCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)C(C)C 1504886252 FRSQEXVKUIZXRP-QHCPKHFHSA-N 453.547 1.965 30 10 JDEE C#CCCCn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1507599007 JVYLQQIFFWKKHF-DEOSSOPVSA-N 452.559 1.769 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1507622328 HOJQLJDGKCFXGA-KRWDZBQOSA-N 451.593 1.128 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1507623762 WYIVPQALEGJIMI-IBGZPJMESA-N 457.600 1.903 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1507642071 GMEADXZDPMNECJ-UXHICEINSA-N 484.626 1.230 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)c2cccs2)CC1 1507739587 CINICORWTSCLRV-QHCPKHFHSA-N 470.599 1.336 30 10 JDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1507757520 ZBTQKFDZHXAJPF-UHFFFAOYSA-N 453.616 1.375 30 10 JDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1507781699 GKVBFGOVIBMOAZ-MRXNPFEDSA-N 480.411 1.272 30 10 JDEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1507829706 BHWJZSWDSVDRQM-SFHVURJKSA-N 451.531 1.763 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nnc3n2CCCC3)CC1 1507836980 GANCDLZXNPMCPT-QGZVFWFLSA-N 492.650 1.793 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1507915240 VCIQCTHCJVTGSC-QGZVFWFLSA-N 490.634 1.384 30 10 JDEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1508047934 LYMAENSVALMPLW-UHFFFAOYSA-N 470.530 1.084 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2cnnn2C)C1 1508110602 UETAIKGSEFDJAO-SFHVURJKSA-N 456.938 1.820 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1508142354 BYQNMNPRZHIINP-WOJBJXKFSA-N 457.600 1.769 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2COCCO2)C1 1508634838 CIVNNAVRHCQGPK-KSZLIROESA-N 462.551 1.537 30 10 JDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)C[C@@H]1C 1515923778 HPZNMPQNRFDBON-PMACEKPBSA-N 453.591 1.980 30 10 JDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)CC#N 1517426941 FNXLTRGGUSVYLE-OAHLLOKOSA-N 461.592 1.706 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCNC(=O)OC(C)(C)C 1539015622 QJCPYENUUXKACF-IAGOWNOFSA-N 484.623 1.374 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1539071785 DRRLOJLQAGABBN-CEXWTWQISA-N 451.593 1.420 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cc([C@H]2CCOC2)cn1 1539155063 RADCCTNMDDMTSC-IBGZPJMESA-N 483.598 1.665 30 10 JDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cccn(CC)c1=O 1539190148 AOKLFZGZXNVFDR-UHFFFAOYSA-N 459.598 1.942 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1539216527 UFAFTTMJXNETSW-QGZVFWFLSA-N 474.587 1.767 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1539229936 AFUZMUSNVQXPRJ-HZPDHXFCSA-N 451.574 1.408 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 1539232070 ZBVPMKMGNMKQQT-ICSRJNTNSA-N 471.583 1.494 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(C(CC)CC)no2)CC1 1539429526 AFBGCFKCEIHJAR-MRXNPFEDSA-N 463.608 1.583 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCNS(C)(=O)=O)CC1 1539468638 GZQGLKZLQAUPSO-UHFFFAOYSA-N 495.609 1.317 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cnn(CCOC)c2)CC1 1539469766 GOPJAGSBWQQRHG-UHFFFAOYSA-N 451.531 1.704 30 10 JDEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539812027 LIDMPGMCNFDZJC-UHFFFAOYSA-N 463.995 1.657 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(CC)ns2)CC1 1539981134 CSAWTSXZTSSWLP-AWEZNQCLSA-N 454.626 1.595 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)CC1)C(C)C 1540151398 HJEVJVBIJPFORX-OALUTQOASA-N 459.595 1.816 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1540902513 LFOLSUFRRANIAJ-WBVHZDCISA-N 478.571 1.454 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCc2nn(C)c(=O)cc2C1 1540905982 XWYYEPIFPXDYLS-UHFFFAOYSA-N 490.536 1.404 30 10 JDEE CC(=O)Nc1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1541008134 GABHHPYUWQNRDN-PKOBYXMFSA-N 458.544 1.110 30 10 JDEE CCN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1)S(C)(=O)=O 1547389950 GFZDLTTWMGDMTO-UHFFFAOYSA-N 473.603 1.545 30 10 JDEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@H](N2CCOCC2)C(F)(F)F)CCO1 1555993598 AEAXHENOOHTYLK-WMZOPIPTSA-N 468.455 2.000 30 10 JDEE C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 1559717656 UPFKKAHJTBHAPF-LBPRGKRZSA-N 452.886 1.771 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1587861998 RRIFEAOWGLYDPE-HXUWFJFHSA-N 492.646 1.253 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1588028851 AECBPEXWQDVFNC-KRWDZBQOSA-N 494.581 1.061 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1588034029 AFDKMJJMBSNVDO-OALUTQOASA-N 457.512 1.825 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588034260 CFLVQLIRACXYQK-SRYPRDQNSA-N 480.631 1.762 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1588034574 IPVJLVOCWMVJHW-OKZBNKHCSA-N 478.546 1.599 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1588046008 VPGYBYDZOABESE-IRXDYDNUSA-N 484.548 1.795 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCO[C@@H]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588054008 JRLUJPMPWBCVLD-ZGXWSNOMSA-N 498.671 1.402 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2C[C@H](C)N(C)C)CC1 1588806689 ZSVNJVQQMBEOJU-IBGZPJMESA-N 462.602 1.770 30 10 JDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnn(C)c2)CC1)c1ccccc1 1593781948 CAZUIKRNNXPINL-SFHVURJKSA-N 470.603 1.662 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1595497269 VSXFMITYDWTZQZ-WMZOPIPTSA-N 458.588 1.324 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1595561941 IHNYAABBBXYTKV-GOSISDBHSA-N 464.526 1.637 30 10 JDEE C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1)N(C)C 1611582668 CJHXUMJCWGTDSK-IEBWSBKVSA-N 457.604 1.329 30 10 JDEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1615993237 GMHREEHSZJAEHM-GOSISDBHSA-N 487.586 1.377 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(-c3cccc(Cl)c3)c2CC)CC1 1624435188 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C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705486111 WVMANRAOCOFOGN-DJJJIMSYSA-N 483.388 1.724 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)N(C)C)c1 1705506922 MAPZHTOSTXFEHV-SFHVURJKSA-N 474.587 1.120 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 1705561776 TZNAYECNDLXEIG-XMSQKQJNSA-N 491.639 1.722 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705562210 YVSBIESEGWQURM-SRYPRDQNSA-N 480.631 1.761 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CC1CCN(C(=O)OC)CC1)[C@@H]1CCS(=O)(=O)C1 1705570815 RKSJDVZZEMIQDH-GOSISDBHSA-N 451.593 1.582 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1705572092 QNRJOZDNEAQZIQ-SQGPQFPESA-N 450.586 1.726 30 10 JDEE C#CCN(c1nnc(COCC)n1CCCN1CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1705572402 ZXKFBCAAXZOQAT-HXUWFJFHSA-N 457.600 1.894 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCc1nc(C)cs1 1705597418 FEMAYDHNPXKBRB-LJQANCHMSA-N 490.655 1.862 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)N2CCCCC2)CC1 1705645627 YRWCMYNSFXKROO-GOSISDBHSA-N 493.678 1.119 30 10 JDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705739420 FUZCDFLMAOPBBR-OAQYLSRUSA-N 470.622 1.475 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC)[C@H](C)C1 1705896475 NZMBBFYXULUJQR-QGZVFWFLSA-N 475.619 1.028 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1705900797 POTRLGIJQBJSOD-OAHLLOKOSA-N 452.485 1.748 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1705902531 GPBRKIWEFWCVAN-IAGOWNOFSA-N 478.644 1.940 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@]2(CCOC2)C1 1705931776 ZWNDIQCARQIXJE-JOCHJYFZSA-N 478.571 1.559 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1705937203 MFZGPNFDHKRNTL-LJQANCHMSA-N 455.588 1.667 30 10 JDEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1705941777 VWPCWPAQYVOSON-UHFFFAOYSA-N 467.603 1.762 30 10 JDEE CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1709969811 HBRSIEGTPMHHNQ-SGXKBVARSA-N 475.571 1.282 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc(CNC(=O)c2cccs2)n1CCN1CCCS1(=O)=O 1711073607 AUQXCWBPAXOYND-UHFFFAOYSA-N 499.622 1.813 30 10 JDEE CS(=O)(=O)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1712696756 BUWWQAGPBYMQNK-MOPGFXCFSA-N 493.611 1.064 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1722358681 KPRVNKSKDWQXCF-DLBZAZTESA-N 453.634 1.719 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1c(CC)nn(C)c1OC)[C@@H]1CCS(=O)(=O)C1 1722362575 NQAYISYHADBCPB-QGZVFWFLSA-N 498.609 1.933 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCOCC2)CC1 1722443338 RJIIPXWGGGWLDL-UHFFFAOYSA-N 475.597 1.895 30 10 JDEE C#CCSCCn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722464241 YZLPNCUNAFSUEE-LAUBAEHRSA-N 451.593 1.962 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC)C(=O)C1 1722510678 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1740929802 IMTGCBMKJLBIQS-UHFFFAOYSA-N 479.632 1.452 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)N2CCSCC2)C1 1740977205 SHQHQDXOVIADQA-SFHVURJKSA-N 464.617 1.500 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1740993503 DCVMGDRQGMLARM-MSOLQXFVSA-N 462.528 1.880 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1748811814 LVJAMPCIVCAKLK-KRWDZBQOSA-N 463.629 1.823 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748812374 UPPJZJACPQJXTJ-PZJWPPBQSA-N 483.573 1.804 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CCN(C(C)C)CC1 1748847343 SHAOUJNEPXLQEU-UHFFFAOYSA-N 476.629 1.760 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCSCC2)CCCC1 1748906756 YAZDQHRZFCXLPC-QGZVFWFLSA-N 454.666 1.709 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2(O)CCOC2)CC1 1749015701 JUOXRRRDQMVXEI-VWLOTQADSA-N 467.570 1.591 30 10 JDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NC)CC1 1749097879 JJJCWPIVYXYPMT-UHFFFAOYSA-N 451.325 1.877 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCSCC2)cc1 1749487584 FGHFZJAFROUAMM-FQEVSTJZSA-N 492.671 1.835 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCc2c(ccnc2N(C)C)C1 1749676329 MNJVBNURGAZGAF-UHFFFAOYSA-N 452.588 1.960 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1749679773 AVEQTVBNJWXLQL-DLBZAZTESA-N 454.531 1.273 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(C)=O)CC1 1749687384 QHZDMCROXLGEHX-MRXNPFEDSA-N 476.603 1.606 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1749735434 SJWHTXYZAVEAPM-OAQYLSRUSA-N 488.658 1.816 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1750969602 AKJSPSHALOZVGJ-WOJBJXKFSA-N 453.547 1.046 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2CCN(C(C)=O)CC2)c1 1760128307 FGJSABLFBIQDKF-NRFANRHFSA-N 477.569 1.544 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H](C)CN2CCOCC2)c1 1760129135 ZAPUAUJEFNNTFI-FPOVZHCZSA-N 466.586 1.807 30 10 JDEE C#CCN(c1nnc(COCC)n1CCc1ccc(-n2cccn2)cc1)[C@@H]1CCS(=O)(=O)C1 1760193120 UECUFGBASDALQR-OAQYLSRUSA-N 468.583 1.870 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1760257137 PKDWDUMFPHZXPJ-OZXSUGGESA-N 482.629 1.997 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1760267136 GSNYNPHYTMSCBI-UHFFFAOYSA-N 480.960 1.717 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1760299554 ZCGBPQYQOPGTMD-XWOARTFESA-N 450.605 1.738 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(N)=O)CC1 1760312924 GODOHQJROSMYIP-PXNSSMCTSA-N 453.547 1.998 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1760346320 RYXMMNNDOHJMSJ-LJQANCHMSA-N 494.593 1.661 30 10 JDEE C=CC1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCS(=O)(=O)NC)CC1 1760400597 HPXFKKKZPYOYCI-UHFFFAOYSA-N 467.621 1.190 30 10 JDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCNS(=O)(=O)c2ccccc2)CC1 1760405536 WLRJZSLIGSPFJJ-UHFFFAOYSA-N 458.588 1.781 30 10 JDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC2CCOCC2)c1 1760456742 WIULNWGXDHRSBN-OAHLLOKOSA-N 450.565 1.512 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1760519281 YGKXSHBOCWJLDE-LJQANCHMSA-N 473.541 1.517 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(Cl)nc2C1 1760522512 VIUYGSONXFCLIC-CQSZACIVSA-N 450.952 1.094 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](OC)C(C)(C)C1 1760523044 KPWLLOZNEKAUOZ-MRXNPFEDSA-N 461.592 1.402 30 10 JDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1760526700 FSGBMRWJHGJUKZ-QHCPKHFHSA-N 465.602 1.662 30 10 JDEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760532969 KLANXSSIIXNDOC-UHFFFAOYSA-N 469.571 1.820 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N1CCS(=O)CC1 1760551759 QNXJTVRTBIDYRC-UHFFFAOYSA-N 479.447 1.939 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2CCOC[C@@H]2C1 1760558150 HMNPYADNZYPSTA-IPMKNSEASA-N 467.636 1.318 30 10 JDEE COc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)cc1 1768611051 CXTUABPBNGJYEX-LPHOPBHVSA-N 462.576 1.458 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)COc2cn(C[C@H](C)O)c(CN3CCCC3)cc2=O)nc1C 1870323575 XTTJVULCLPSUTR-HNNXBMFYSA-N 490.582 1.950 30 10 JDEE C#CCNC(=O)C[S@](=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990669894 XBVQBGIWKTZCAO-AUSOSSAASA-N 468.531 1.867 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@H]1C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2132678017 URKLAQGRCVQWCQ-ULQDDVLXSA-N 452.357 1.508 30 10 JDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 2255692626 CCQCADOYGKBVHW-QGZVFWFLSA-N 469.351 1.597 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H](O)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2255743903 IUTMFRDHESMEGN-LLVKDONJSA-N 496.844 1.865 30 10 JDEE C=C(CS(=O)(=O)N=c1nc(CCNC(=O)OC(C)(C)C)[nH]s1)B1OC(C)(C)C(C)(C)O1 2255952393 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1286773961 WFNSBNYQGUSAKS-ICSRJNTNSA-N 490.630 1.487 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1286784562 LVTQFDROPWEJJY-QGZVFWFLSA-N 492.577 1.017 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CCC(C)(C)C)CC1 1286785766 IIXUGMUUQALXFX-UHFFFAOYSA-N 457.579 1.866 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1286792215 RCNOOXZZERTWHO-NRFANRHFSA-N 489.374 1.638 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1286817815 ZUYQIKTZYBRVQW-OAHLLOKOSA-N 463.560 1.230 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(S(=O)(=O)NCC)cc2)ccc1F 1294614890 SEECBKNWNWPDOT-UHFFFAOYSA-N 455.533 1.518 30 10 JDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1298011033 GBIZRSPCKCMHIX-UHFFFAOYSA-N 451.531 1.266 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CCCS2)CCO1 1299154131 DTRXMOQFPDMIMI-GCJKJVERSA-N 456.572 1.966 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 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C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(OC)C1CC1 1300805396 BQSAFWMOVBCQHY-DUXKGJEZSA-N 451.593 1.418 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](CC)C1 1300848317 DDINZKGMGUFYFS-JKSUJKDBSA-N 476.441 1.636 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C(C)C)C1 1301257526 ANXMYRVYZBRWJD-ZWKOTPCHSA-N 473.665 1.782 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCS(=O)(=O)C1 1301424566 MJRSOGWUJMILFY-QZTJIDSGSA-N 499.634 1.660 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(N)=O)C1 1301531649 SCFWUANFFINEPJ-VGSWGCGISA-N 459.572 1.495 30 10 JDEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1313645968 BAUVHQJKEJHUQO-UHFFFAOYSA-N 487.630 1.242 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCN2CCCS2(=O)=O)c1 1358901677 STPGSZIZECJJQC-UHFFFAOYSA-N 479.566 1.432 30 10 JDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCN1CCC(O)CC1 1358947198 VEABPDVOJJFDCP-UHFFFAOYSA-N 463.586 1.981 30 10 JDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1CCN(C(=O)OC)CC1)[C@@H]1CCS(=O)(=O)C1 1358956115 ANNQWCBYPRWWQC-IEBWSBKVSA-N 497.618 1.107 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1358961681 CZGLDSOTLGHAJM-WBVHZDCISA-N 477.974 1.588 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CC)C(=O)OC(C)(C)C 1359009984 CUMWCKKWZRXFAJ-KRWDZBQOSA-N 484.623 1.328 30 10 JDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC2(N(C)C)CCOCC2)CC1 1359038446 WSPQKBDFCNSVEQ-UHFFFAOYSA-N 452.603 1.766 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cc(F)cc(F)c2)CC1 1359041447 WVRIMKAVKXQEMV-HNNXBMFYSA-N 494.568 1.375 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOCCOC)CC1 1359042280 ZEPQNRZQQHYSCA-UHFFFAOYSA-N 479.379 1.665 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCNS(=O)(=O)CC)CC1 1359045657 OXSNYMSXASYIHC-UHFFFAOYSA-N 493.033 1.427 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1359047363 DEWCMFIIXNPXBP-BCHFMIIMSA-N 497.596 1.762 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1359049492 QJTMIISCAZPNDP-QZTJIDSGSA-N 490.655 1.744 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1359060429 VBTXHZMSRGGUBY-UHFFFAOYSA-N 484.630 1.147 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1359132105 NNNASHTVRKIBPE-CTNGQTDRSA-N 467.574 1.171 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1359294577 XZYYKDGJTCQQOQ-SFHVURJKSA-N 488.614 1.393 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1359301396 YBVMARAPIWDBGY-MJGOQNOKSA-N 492.621 1.935 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1359335040 YLLHEOYMDUOYIK-AZUAARDMSA-N 451.637 1.769 30 10 JDEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCS(=O)(=O)CC1 1359335801 VJRRRKIGFMPXPP-UHFFFAOYSA-N 470.642 1.714 30 10 JDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N2CCOCC2)CC1 1360469473 CNQUWCXXDBFIEE-QGZVFWFLSA-N 458.588 1.952 30 10 JDEE CCN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1501389028 FWUMXMSMHIXLKJ-UHFFFAOYSA-N 468.537 1.330 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1507630189 ZUULLLSZYPCZKT-GOSISDBHSA-N 460.991 1.882 30 10 JDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCCS1(=O)=O 1507681407 TYPYZOPDSPXYIL-QGZVFWFLSA-N 478.644 1.973 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)C1CCCCC1 1507690714 VWJFABFNJDTZHW-FQEVSTJZSA-N 466.652 1.725 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(Oc3ccccc3)nc2)CC1 1507721701 LHEIYSYKHOVZAL-LJQANCHMSA-N 495.609 1.879 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)COCc2ccccc2)CC1 1507731703 OVZMOJNUSWEBBJ-RBBKRZOGSA-N 471.627 1.788 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC[C@@H](C)C2)CC1 1507736429 OXQMBUKDAYQNJE-IKGGRYGDSA-N 450.609 1.290 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1507759426 HGKIGOXZTFBOKR-UNMCSNQZSA-N 490.674 1.503 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCCS1(=O)=O 1507813991 IEJLLPCFRYIUSO-UHFFFAOYSA-N 467.617 1.787 30 10 JDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1507852548 BFOLVFWKSCPSDO-CQSZACIVSA-N 468.967 1.309 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1508092726 GKUHFRNPXFQCRF-UHFFFAOYSA-N 470.965 1.873 30 10 JDEE CS[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1519722279 FKYKPKAJZDGYCP-HUUCEWRRSA-N 464.621 1.233 30 10 JDEE C#CCN(CC#N)C(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@H](C)CC 1524272268 SKRCBDHPVPKAQT-KDOFPFPSSA-N 452.964 1.720 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1539040263 PEOYZFIJGICSGH-LJQANCHMSA-N 493.593 1.678 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1539207022 YTKOWROCKXEUIB-QTEQDKRBSA-N 479.647 1.289 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1539229284 BGSISJOGAJFXLQ-LJQANCHMSA-N 468.583 1.878 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1539230754 QCLLQFHGSXFOEK-NHCUHLMSSA-N 482.610 1.840 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCN1CCN(c2ccncc2)CC1 1539291502 RPMDJDOWEUEWEF-UHFFFAOYSA-N 474.613 1.584 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539320169 QGJHBYZWUIPPCH-GOSISDBHSA-N 469.567 1.461 30 10 JDEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](C(=O)NC)C1 1539498756 ZOVIHHUKGMTYDF-IBGZPJMESA-N 451.556 1.653 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1539620760 NLLIXDIAIUUGOG-CDXJDZJCSA-N 473.599 1.997 30 10 JDEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539757883 CAHQLWXQHGAZOB-UHFFFAOYSA-N 460.623 1.584 30 10 JDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN(C)S(=O)(=O)CC)CC1 1539871243 IHNMQQOTUHOOSC-UHFFFAOYSA-N 461.592 1.999 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)Nc2ccc(F)cc2)C1 1540883338 YDVBGIDHFUUGLD-PBHICJAKSA-N 466.539 1.447 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1540900982 PCNPXIJJKJCELN-AZUAARDMSA-N 460.604 1.488 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](C)Oc1ccccc1F 1541834812 FRSAUPGOZDKDRV-TYILLQQXSA-N 454.503 1.937 30 10 JDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 1543756834 NEVCVYGSCNMGJN-GJZGRUSLSA-N 453.989 1.627 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2CCOC[C@@H]2OC)c1 1587689625 NSVXZERFYYHAPE-NQIIRXRSSA-N 461.526 1.843 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1587766153 PLPZXNDKTYZMBI-FQEVSTJZSA-N 488.614 1.411 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1588028800 ACCDOETVPLXKJZ-TXBYWVTISA-N 489.573 1.662 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1588034327 DEJBCOOWKBBZPU-QGZVFWFLSA-N 499.574 1.488 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1588068952 CQOOCJUMFWEVOI-OALUTQOASA-N 464.636 1.004 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([S@@](C)=O)CC1 1588193518 GEWIUKFTVZNNQR-WJOKGBTCSA-N 473.624 1.569 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCc2nc(C)no2)CC1 1588961967 QKGVJCXJUXZWRL-UHFFFAOYSA-N 496.597 1.560 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1589485372 YTNPBRSNIYPQLT-ZCNNSNEGSA-N 457.579 1.808 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2ccnn2C)C1 1593696791 YIHMYFPZOXLGBI-IRXDYDNUSA-N 451.597 1.599 30 10 JDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1593757982 RXQPFERIHHPBOH-UHFFFAOYSA-N 455.563 1.030 30 10 JDEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(CC(=O)NCCOC)CC1 1595366773 NQFVPWIOIJBBNM-UHFFFAOYSA-N 481.370 1.917 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1595465868 AMHVPHYRELJEML-UHFFFAOYSA-N 494.600 1.893 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1595822902 KFMFCHKCDHAXTL-KRWDZBQOSA-N 489.627 1.047 30 10 JDEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCC(F)(F)F)CCO1 1620354875 DJLIRDAKTLJZAU-CABCVRRESA-N 486.476 1.293 30 10 JDEE C=C(C)Cn1c(SCC(=O)N2CCCC[C@H]2CNS(N)(=O)=O)nnc1-c1ccco1 1627513320 DMBMYFBPFNRHRP-AWEZNQCLSA-N 454.578 1.381 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Cl)c(OCCC(C)C)c(OC)c2)CC1 1636475381 GDLJFHMOWXVZCK-UHFFFAOYSA-N 457.980 1.999 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)CCc2nc3cc(S(N)(=O)=O)ccc3n2CCC)CC1 1648736834 DFBKFJMKJXABSB-UHFFFAOYSA-N 459.572 1.014 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1680908859 DBXZGQOJAXPOKV-INIZCTEOSA-N 456.569 1.250 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCN(CC)CCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689989284 CTQZYLCKMZXWGE-IRXDYDNUSA-N 477.553 1.683 30 10 JDEE C#CCSCCn1c(N(CC#C)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1690185680 CVNBVEUSVNICEX-RXVVDRJESA-N 466.629 1.312 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690237891 BTXZMDXOZMDNPJ-YRXWBPOGSA-N 476.578 1.456 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1690238641 LWJUVNFDZCFRKQ-OXKKCRRXSA-N 453.609 1.731 30 10 JDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1690308454 OKGXDQPECLUPMA-UHFFFAOYSA-N 487.561 1.978 30 10 JDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)c2ccccc2)CC1 1690375141 ANWTXXWFNUFTLX-KRWDZBQOSA-N 450.586 1.811 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H]2CCCCO2)CC1 1690411839 VRRAGVFUKXAJCL-MOPGFXCFSA-N 453.609 1.973 30 10 JDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N1CCN(CC)CC1 1690524060 YNCYWKMOVUKDHP-GOSISDBHSA-N 450.591 1.840 30 10 JDEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1690629111 DJVMCPILGXNPCZ-SFHVURJKSA-N 458.538 1.724 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1690675353 YDRFDYQMFMLCEU-UHFFFAOYSA-N 454.531 1.453 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1690714744 TYMQZARZRURCSN-MRXNPFEDSA-N 465.580 1.168 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(NC(=O)N(C)C)cc1 1692779738 CWIPOYZYOUUUOL-JLTOFOAXSA-N 478.554 1.472 30 10 JDEE CN(C)C(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1 1696583675 FWOYKTSUIWIRAS-FQEVSTJZSA-N 463.539 1.116 30 10 JDEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)C1 1696950215 DEQACJCMTBSGFN-HXUWFJFHSA-N 481.601 1.802 30 10 JDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1705507731 JPSRGNFSQNTBSS-HXUWFJFHSA-N 469.634 1.887 30 10 JDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705509208 FEHUZPGGVHUYNI-KRWDZBQOSA-N 450.586 1.775 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(N)=O)CCCC1 1705591126 GRPPBNDTQRPIKK-UHFFFAOYSA-N 453.568 1.857 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CCC(C)C 1705598646 NUBCCYYARSKRON-DENIHFKCSA-N 465.620 1.261 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1705621036 OXGLBDOZSBNHDO-SFHVURJKSA-N 460.579 2.000 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(OC)c(OC)c2)CC1 1705643458 GZSBEDPWGINYLZ-UGKGYDQZSA-N 455.559 1.823 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(C)(C)O)CC1 1705644205 ITSVCEZWVREXRO-UHFFFAOYSA-N 487.004 1.988 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(=O)NCC=C)CC1 1705647851 MZZOYRLJDGMAHC-UHFFFAOYSA-N 472.553 1.399 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)C(C)C 1705867128 IEDNIAGTXUDKMG-SLFFLAALSA-N 470.622 1.484 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705899214 LHLOJRSHNVTCMQ-SFHVURJKSA-N 471.949 1.667 30 10 JDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705948236 MIZLDMQVLQWUIO-SFHVURJKSA-N 461.592 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30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CCC)C(=O)OC(C)(C)C 1587638756 HELJPPCSPYWUJX-MSOLQXFVSA-N 498.650 1.716 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588030334 SMWDQDVWOIOAHH-FGTMMUONSA-N 456.572 1.988 30 10 JDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1588035301 RBTSIWHIIPFAQP-ZBFHGGJFSA-N 453.590 1.442 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCCOC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1588045269 IRGJTRQCXJGADM-MOPGFXCFSA-N 461.588 1.496 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588049919 NFXSFUYSLJRXOS-IKGGRYGDSA-N 494.618 1.017 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1588064561 KONKSNBODFMEPR-FQEVSTJZSA-N 451.552 1.839 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1588070388 ZSXYJIGTTWBODY-GOSISDBHSA-N 457.556 1.516 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1588180983 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C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1749009086 MJIFPXMXZSXKLG-QGZVFWFLSA-N 484.605 1.805 30 10 JDEE C=C(Br)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1749097529 CIEPNCWVONLVOI-UHFFFAOYSA-N 488.346 1.798 30 10 JDEE C=C(Br)Cn1c(CC)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1749103823 DXZZFQFCDPMXGO-AWEZNQCLSA-N 450.403 1.626 30 10 JDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749387425 ZQHAOFBJPGLLIG-UHFFFAOYSA-N 482.589 1.263 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749651654 ZUGLUUZKTAINQH-YWZLYKJASA-N 499.547 1.626 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@H]2CCCO2)CC1 1749721339 HNNUDDMZFBPLOP-GOSISDBHSA-N 474.587 1.922 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1749730916 VPGBHEDQSLUGPE-NRFANRHFSA-N 460.535 1.516 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1749736789 PJNBWONRGINWQI-UHFFFAOYSA-N 487.630 1.593 30 10 JDEE 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462.381 1.220 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H](O)C1 2267376650 ZFPFYYSQXJJKGL-GJZGRUSLSA-N 488.437 1.696 30 10 JDEE Cc1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c(B2OC(C)(C)C(C)(C)O2)s1 2267475264 IDDOQQTVIRUDEZ-AWEZNQCLSA-N 467.397 1.805 30 10 JDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C 2267503601 GKEWOPZTRAFRPO-HNNXBMFYSA-N 450.341 1.610 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2269698805 ZTBLJALQXHMRKR-HNNXBMFYSA-N 452.332 1.874 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3C[C@H]4[C@H](B5OC(C)(C)C(C)(C)O5)[C@H]4C3)O[C@H]2C1 2279912630 IIDCBXVDWYKGGR-YPLQCARHSA-N 464.368 1.940 30 10 JDEE CC1(C)OB(c2n[nH]cc2C(=O)NC[C@@]23CN(Cc4ccccc4)C[C@@H]2CCO3)OC1(C)C 2281923110 BQAPHIQKCQRWGF-MHECFPHRSA-N 452.364 1.730 30 10 JDEE CC(C)(C)OC(=O)NCC12CC(CNC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)(CO1)C2 2282101634 GCOKVZFDQSYLKX-UHFFFAOYSA-N 462.356 1.513 30 10 JDEE 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KKBQTVXBIVNSKE-GOSISDBHSA-N 450.561 1.173 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1286382351 RHEUDAFWQSGVDP-LJQANCHMSA-N 473.599 1.880 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1286382508 SDSBVYCYGBUGPQ-FUHWJXTLSA-N 477.562 1.650 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1286388471 PQNKRGHLEBWEIY-OAQYLSRUSA-N 485.610 1.839 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C)ccc1OC 1286430674 IQNVCQZQUVBZGH-JOCHJYFZSA-N 485.610 1.634 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1286786847 JTZWVAUVKZFORE-UHFFFAOYSA-N 450.547 1.706 30 10 JDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1298011014 FIOUQKSFBGIADK-FQEVSTJZSA-N 453.547 1.118 30 10 JDEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C1 1299350154 HAOILWMIUUKQEU-KRWDZBQOSA-N 461.544 1.553 30 10 JDEE 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30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCOC[C@@H]2OC)c1 1358900617 OTDLOMRKOWFGSC-CTNGQTDRSA-N 480.569 1.622 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1358959852 QWSHCFVCUJVKCP-OXQOHEQNSA-N 465.963 1.426 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1359028047 FQEDQGVKXCEZJL-DVECYGJZSA-N 452.559 1.442 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1359051398 VLKPSWABONYHLX-RXVVDRJESA-N 489.667 1.872 30 10 JDEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C(=O)NCCOC)CC1 1359149022 LPHXENCUZCLFIW-UHFFFAOYSA-N 496.037 1.970 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1359216306 UCOYPEDDRVZFJD-SFHVURJKSA-N 498.556 1.930 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1359303646 WFIIGNGWMBCRHX-GOSISDBHSA-N 457.604 1.815 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(O)(C(F)(F)F)CC1 1359331813 IMMMGWYBZDFTQZ-AWEZNQCLSA-N 452.499 1.667 30 10 JDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1 1493191447 GZXALVPXWHNSBM-MRXNPFEDSA-N 472.571 1.220 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-n2ccnc2C)nc1 1507701788 BAXJOZXZMMNCQR-UHFFFAOYSA-N 471.525 1.949 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCS2)n1 1507717217 RMUSTZUKQODFEQ-ICSRJNTNSA-N 492.671 1.949 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CC2(C)C)CC1 1507718929 WUVPHXSAZSPNFP-LJQANCHMSA-N 456.616 1.997 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)c2cccs2)CC1 1507733915 NWTYAZZWYGWHKP-DEOSSOPVSA-N 493.593 1.860 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCCC[C@@H]2CC)CC1 1507735772 GWYMACGSGFCMFQ-ICSRJNTNSA-N 493.678 1.119 30 10 JDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507751072 JRRMVEVOFWJLMX-NRSPTQNISA-N 460.648 1.527 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1507753489 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C#CCCCn1c(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1539141459 VBVZPHQWZKJNCV-HYBUGGRVSA-N 458.607 1.477 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 1539220804 LVONTSVSBSBGSL-OAGGEKHMSA-N 455.531 1.681 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCC(F)(F)CC1)[C@@H]1CCS(=O)(=O)C1 1539222654 WZNCEOBYQBXUOU-DLBZAZTESA-N 490.598 1.632 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1539231014 NMLPVKPAYRQBBJ-MOPGFXCFSA-N 490.582 1.298 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(F)cc(F)c1 1539266861 TYAGHGQVYIUKOB-LJQANCHMSA-N 463.510 1.205 30 10 JDEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1539290985 VEABRYMZBLEZOH-FQEVSTJZSA-N 483.377 1.786 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(C(C)C)C1 1539325263 FATFNZLIFLDYSM-LEWJYISDSA-N 476.647 1.194 30 10 JDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCc1ccco1 1539362450 BOPZOKUDEVLRFC-UHFFFAOYSA-N 455.544 1.607 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(O)CCN(C)C2)CC1 1539474758 XPTZLUDQCAKDTH-QHCPKHFHSA-N 474.968 1.770 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1539484333 LJKQCAHZQIACNW-NRFANRHFSA-N 478.645 1.256 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccco1 1540170261 LZXGMOOEVGXCCM-OXQOHEQNSA-N 451.549 1.290 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](CNC(C)=O)C1 1540867213 OJCKUDYEIGDGQR-QGZVFWFLSA-N 456.547 1.617 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCOc2ccc(S(C)(=O)=O)cc2)C1 1540889379 KOQKNWHZDSCKHJ-SFHVURJKSA-N 470.555 1.999 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1555557738 BROXIIKJMDGGGI-ICSRJNTNSA-N 455.563 1.817 30 10 JDEE CC#CC[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 1557364300 VRJQBBYFGPLZRS-QFIPXVFZSA-N 455.580 1.697 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1588053566 FUTJRZZVCDJVQU-AQNXPRMDSA-N 463.604 1.057 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1588064829 QAEGVGVQNADAOH-MOPGFXCFSA-N 468.645 1.462 30 10 JDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1589008542 VYYMUXLGZVECFC-MRXNPFEDSA-N 478.600 1.985 30 10 JDEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1593844729 GGJCXQGWNNGTBO-CYBMUJFWSA-N 451.314 1.507 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SCC)C1 1595551021 KOOSEHKVNJSKNM-IRXDYDNUSA-N 486.664 1.025 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1595798228 NVTSVTJWIRMWSN-UHFFFAOYSA-N 461.592 1.662 30 10 JDEE CCc1nn(C)c(CC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1613893441 GFFXQNDJZLZTSU-UHFFFAOYSA-N 470.603 1.709 30 10 JDEE CCN1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1615808163 FMAXCTSJEFQLTB-MOPGFXCFSA-N 465.624 1.225 30 10 JDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN(C)CC(F)(F)F 1616910627 HUCMEXADYLGHHH-UHFFFAOYSA-N 469.516 1.549 30 10 JDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C)c(OCc3ccccc3)c(C)c2)CC1 1622256648 GGGOKMZRBPARFJ-UHFFFAOYSA-N 455.580 1.938 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)s1 1634101777 GHXXWKXVFWXEOI-PHZGNYQRSA-N 455.602 1.984 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc(-c3ccccc3Cl)nc2C2CC2)CC1 1644285077 GYDHLYXEZQEVRB-UHFFFAOYSA-N 459.959 1.900 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CCS(=O)(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689986534 RWUMPWHCNSKCCW-GOSISDBHSA-N 464.613 1.785 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(NC(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1689988936 YZDXMJANTMBJNC-HXUWFJFHSA-N 496.597 1.447 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1689989547 GQJNPGSOKAOCFS-RTBURBONSA-N 474.583 1.864 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@](=O)CC 1690104175 OUGIAFHVTXYHOW-HYJWCJBQSA-N 469.608 1.441 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1690411964 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1705584337 GUEPMMKFATWZDJ-UHFFFAOYSA-N 461.588 1.459 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(N(C)C)CCOCC1 1705627224 ZSPKCDSQSVZUCI-UHFFFAOYSA-N 479.585 1.389 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1705725923 YPVSEYGBCSVZKF-RBUKOAKNSA-N 465.576 1.966 30 10 JDEE C=CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1705797426 WFWPKYPCGNAQIH-NJDAHSKKSA-N 486.598 1.700 30 10 JDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC[C@@H]1NC(=O)NC1=O 1705843751 MZPPDURKZYNQMP-LSDHHAIUSA-N 463.539 1.197 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1705902342 CHKXACKBFDSTNE-LJQANCHMSA-N 456.547 1.994 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N(C)CC(=O)N1CCOCC1 1705933388 FPXAIYNVHWXXGS-UHFFFAOYSA-N 461.588 1.403 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1705936859 ZTFSZEQXDIMWKH-OKZBNKHCSA-N 497.618 1.555 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1706878315 FVIRFGWOZIOJON-KBXCAEBGSA-N 460.626 1.232 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCN1CCCC1 1706885672 CPXCVUGAXPKGFU-KRWDZBQOSA-N 490.609 1.321 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1722332384 JYWLHCABZGAHPW-SFHVURJKSA-N 459.572 1.766 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1722332465 LLVDJSZQYIDZFU-KRWDZBQOSA-N 458.544 1.828 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OCC(F)(F)F 1722351396 ILSITPFPHYVXAX-OAHLLOKOSA-N 488.492 1.065 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCc2ccccc21 1722383437 HWLKIFKVYNXNIA-IFMALSPDSA-N 467.595 1.804 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@](C)=O)CC1 1722394366 SNWSUWXMOOXSSH-HKBQPEDESA-N 458.613 1.612 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2nc(C)cs2)CC1 1722433798 GOBSIKSHGFYGOR-UHFFFAOYSA-N 456.597 1.917 30 10 JDEE C=C(Br)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)NCC)CC1 1722483569 BOXIIVGNAPDYAF-UHFFFAOYSA-N 491.390 1.883 30 10 JDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(S(C)(=O)=O)cc1)C1CC1 1722650700 JALLFCNKMDUQSG-QGZVFWFLSA-N 464.613 1.981 30 10 JDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CC#N)CC1 1726763449 ALCMAKLKZKUZMO-GAJHUEQPSA-N 488.614 1.865 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC1 1730749639 DCVUFBJOALBMAE-WOJBJXKFSA-N 459.572 1.741 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 1740620868 SLEGRZZNENTNOE-SFHVURJKSA-N 453.524 1.481 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1740627810 SOCSRYPYEXLHJB-SFTDATJTSA-N 485.610 1.549 30 10 JDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)N1CCSCC1 1740666352 MDPVLRFCFCXODP-UHFFFAOYSA-N 477.612 1.554 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740716345 WTBIYAJCSDWEFT-HNNXBMFYSA-N 472.596 1.182 30 10 JDEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740748039 FKVSCLKWPGDLHK-CQSZACIVSA-N 479.310 1.052 30 10 JDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1740782164 FRSWETSDGNHICD-RBUKOAKNSA-N 458.588 1.105 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1740787439 CZPABXKEDHSLTJ-AZUAARDMSA-N 473.599 1.998 30 10 JDEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740791334 CCPVTXYFTGYUOP-HXUWFJFHSA-N 451.531 1.675 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1740887409 HQIFDOWLQPPRJP-IBGZPJMESA-N 491.589 1.874 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1740946623 DOCUCVIJPRVWOW-HZPDHXFCSA-N 480.557 1.508 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ncc(Cl)n1C 1740959939 HOJPDPNFAKHGQL-UHFFFAOYSA-N 484.996 1.778 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(C)=O)CC1 1740988140 UVVDVWRYAQDXPD-UHFFFAOYSA-N 469.514 1.816 30 10 JDEE CC(C)(C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1741209576 AGRSARGJEZEECL-UHFFFAOYSA-N 479.589 1.299 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)CC1 1741703607 ATLMFPBFKUGHHQ-QHCPKHFHSA-N 494.644 1.310 30 10 JDEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](COC)C2)CC1 1746459825 FVFCNKBEPLJPHV-NFBKMPQASA-N 467.618 1.942 30 10 JDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](C(C)C)N1CCOCC1 1747187467 BQPDTFXVNKGANF-OAQYLSRUSA-N 468.606 1.765 30 10 JDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1748714369 HUADOVZLSPRAOG-OAQYLSRUSA-N 466.590 1.597 30 10 JDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1nnc2n1CCCCC2 1748830556 YOCUMWRVMJXLIF-XMMPIXPASA-N 451.575 1.952 30 10 JDEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748856314 YVSDNMWKZZTVBR-FQEVSTJZSA-N 455.584 1.828 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(-n3cncn3)c2)CC1 1748971474 RGKMWDNHAMQALL-UHFFFAOYSA-N 461.574 1.581 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN2CCOC[C@@H]2C1)C(C)C 1749553765 VSRWRHUNEIZZAK-FCHUYYIVSA-N 471.650 1.734 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C1CCC2(CC1)OCCO2 1749721424 JKLAZXUXSFCZQR-UHFFFAOYSA-N 490.586 1.648 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1749740355 DCDGKVFXTGVCNE-PWRODBHTSA-N 495.690 1.956 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1760121991 ZEJUYNSVGOKUHG-AKIFATBCSA-N 452.603 1.641 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1760155464 YLCYRGAPSGSBNA-RCCFBDPRSA-N 453.609 1.664 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 1760180208 AITQRAUCGKGCFD-HKUYNNGSSA-N 490.582 1.448 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@]1(N2CCOCC2)CCSC1)[C@H]1CCS(=O)(=O)C1 1760182302 IAMZZTKDBFHRLG-DXIQSLLYSA-N 481.688 1.626 30 10 JDEE C#CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1760182777 IVAOBTBGGJPRAL-QGZVFWFLSA-N 496.680 1.947 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1760187197 IRWPYIJZBGDDEB-QZTJIDSGSA-N 462.547 1.995 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@H](OC)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1760190531 XLMPPXXAAABIGQ-BXWFABGCSA-N 477.587 1.694 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@H]1C 1760235728 VUKOSBZOLAPASF-MOPGFXCFSA-N 462.595 1.767 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1760249603 OYLIDACWJGOYML-UXHICEINSA-N 491.614 1.241 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC3(CCCCC3)O2)CC1 1760253366 DRULRPBZYKTNEV-MOPGFXCFSA-N 464.636 1.525 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cnc(C)s2)CC1 1760255610 LRHOGLURXRQRML-UHFFFAOYSA-N 456.597 1.917 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCCNS(=O)(=O)CC 1760298735 TWWWNEKCJQYFSG-HXUWFJFHSA-N 464.617 1.591 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1760357348 IKLAZRUGTDATLL-RTBURBONSA-N 475.619 1.668 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(C)cc2C1 1760515056 AGSGYNXDXJNOEL-HNNXBMFYSA-N 462.576 1.070 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2cccc3c2[C@H](CCC3)C1 1760548271 CCUOBJPWEPGGRD-VQIMIIECSA-N 493.655 1.929 30 10 JDEE CN(CCc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1767287494 GCLAHAYVUBOGOX-UHFFFAOYSA-N 467.555 1.225 30 10 JDEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1768201875 GOOMRQFRQMJRGD-QFIPXVFZSA-N 458.588 1.287 30 10 JDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)CCN1S(C)(=O)=O 1770672594 CKXAKQKWGYLPTL-INIZCTEOSA-N 460.560 1.114 30 10 JDEE N#Cc1ccc(COc2cn(CCOCCO)c(CN3CCC(C(N)=O)CC3)cc2=O)cc1 1870349853 GDOXTUNVQAWKQY-UHFFFAOYSA-N 454.527 1.005 30 10 JDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC(N3CCNC3=O)CC2)[C@H]1c1ccc(C#N)cc1 1889860240 ROEIUZRACAQRFC-RTWAWAEBSA-N 455.584 1.968 30 10 JDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(O)(C2CCN(C(=O)C(F)(F)F)CC2)C1 2124302015 GRPCQZHIZYCXKN-OAHLLOKOSA-N 461.481 1.667 30 10 JDEE C[C@H]1CN(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCN1C(=O)OC(C)(C)C 2256636142 MRKAEVMGDGUZSV-LBPRGKRZSA-N 453.374 1.732 30 10 JDEE COC(=O)C1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CN(C(=O)OC(C)(C)C)C1 2267127165 PRELFLVJJCOGPD-UHFFFAOYSA-N 466.365 1.940 30 10 JDEE CN(C)CCN(CCNC(=O)OC(C)(C)C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267143932 PJGJSUVJNGVKFJ-UHFFFAOYSA-N 451.377 1.237 30 10 JDEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C 2267191030 WOAJBVNSUZKKGE-MRXNPFEDSA-N 451.373 1.813 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CC[C@H]1CNC(=O)OC(C)(C)C 2267377921 IJBLSWDJNQSUAP-DZGCQCFKSA-N 470.401 1.301 30 10 JDEE CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)(C(=O)O)C1 2267470407 KBRVCEVMCULUCO-UHFFFAOYSA-N 488.393 1.400 30 10 JDEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268645780 RADJUNQUYJFVMK-ZIAGYGMSSA-N 467.397 1.940 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CCO1 2282051052 FTXCBZLXITXCSS-OAHLLOKOSA-N 465.331 1.886 30 10 JDEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282343934 IRIADRLDLSJKMK-UHFFFAOYSA-N 478.380 1.956 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282500581 LTGBRLLXSYJNGQ-HNNXBMFYSA-N 484.428 1.739 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2[C@@H]1CO 2282595747 YIBMVTLSBMDORM-DZKIICNBSA-N 462.356 1.009 30 10 JDEE Cn1nc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1 2282621955 ZBIFACIGLCTWTL-GXTWGEPZSA-N 470.326 1.950 30 10 JDEE CC[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CC[C@H]1NC(=O)OC(C)(C)C 2282680298 MDEZLNOEMZFJIG-LSDHHAIUSA-N 463.388 1.880 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 2282699814 LNTOQVDVLKXMSU-CQSZACIVSA-N 461.372 1.634 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 2282851001 WBMRPNOEQRFCBD-HOCLYGCPSA-N 482.412 1.349 30 10 JDEE C[C@H](OCc1ccccc1)[C@@H](NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284415067 LQBXAVHTYKZHIL-HNAYVOBHSA-N 476.360 1.718 30 10 JDEE CN(C)CC(=O)N1CCC([C@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(N)=O)CC1 2297651054 YMPBIDZOPRVSPB-QZTJIDSGSA-N 451.493 1.915 30 10 JDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccccc1C(=O)O 2330794437 SHGKZFSKEOAWLJ-UHFFFAOYSA-N 466.523 1.903 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@H]21 2337396265 LDJAEICVVLMFLE-LSDHHAIUSA-N 465.381 1.903 30 10 JDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337398497 QZOUFZLFKXCETC-FQEVSTJZSA-N 467.353 1.636 30 10 JDEE COc1ccc(/C=N/Nc2nc3c(c(O)nc(=O)n3C)n2C[C@H](O)COc2ccccc2)cc1OC 606630029 KYGRKIOZFRQQBB-YEEYNWEUSA-N 494.508 1.739 30 10 JDEE C#C[C@]1(O[C@@H]2O[C@@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C 616587112 CQOHDQNOAACQBL-XZYMNJMISA-N 474.550 1.409 30 10 JDEE COCCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@H]2C)sc(=Cc2cnn3ccccc23)c1=O 729672126 YKXOEMVLPSIEBV-VQIMIIECSA-N 465.579 1.402 30 10 JDEE NS(=O)(=O)c1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3cccc([N+](=O)[O-])c3)n2)cc1 1084492353 DAQDUCVTKUSKJU-UHFFFAOYSA-N 490.527 1.927 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1286394086 NEWNNNSGAGENLT-FQEVSTJZSA-N 464.680 1.521 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1286396888 WZYCXOXKKORFFH-ZTFGCOKTSA-N 495.627 1.215 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)c1cccs1 1286400638 CYLZAGVYMRTWKU-UHFFFAOYSA-N 496.618 1.760 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286459249 JTEPEFAXQYGUCR-IBGZPJMESA-N 483.388 1.343 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2Cc2cnn(C)c2C)n1 1286471080 HOJRKTCSNJBRAW-LJQANCHMSA-N 452.563 1.745 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC(=O)NCc2ccccc2)CC1 1286473450 SUVADQIGRYYPBL-VWLOTQADSA-N 466.586 1.392 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC(=O)N2CCOCC2)CC1 1286474149 CLYRAMNLNLAPOE-UHFFFAOYSA-N 491.365 1.461 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCS(=O)(=O)c2ccccc2)CC1 1286485079 ULWFEHHZWBSNSL-UHFFFAOYSA-N 498.634 1.499 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1286485750 XGKLPSNJOKRYGK-UNMCSNQZSA-N 484.576 1.635 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCN(C)S(=O)(=O)CC)CC1 1286486230 DJHPIWBUDURDGM-UHFFFAOYSA-N 476.603 1.484 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cnccc2OC)CC1 1286488016 JZUDUAHEDIMXHC-XMMPIXPASA-N 468.558 1.348 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2nc(C)cs2)CC1 1286488325 MOBNECBORRIKIY-QFIPXVFZSA-N 458.588 1.709 30 10 JDEE 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C#CCNC(=O)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)CCCC2)CC1 1539482516 UPVFEOAQJVKHRW-IBGZPJMESA-N 492.646 1.157 30 10 JDEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1539691137 KLLBJESJQJFNIG-UHFFFAOYSA-N 478.380 1.681 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(C(=O)OC)CC1)C1CC1 1540109076 OVFFKTHCXGQPAO-GOSISDBHSA-N 482.607 1.244 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCS(=O)(=O)C1 1540129483 VTTKABIHFAYTNA-HXUWFJFHSA-N 468.583 1.899 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1540871750 SPLZTCOQFKFEEZ-AZUAARDMSA-N 459.639 1.548 30 10 JDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1540915548 MCLICXASMIOZFM-QUCCMNQESA-N 469.615 1.497 30 10 JDEE CC(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C)N1CCOCC1 1541310281 DIGQFXUFUGUWBS-KNQAVFIVSA-N 481.601 1.752 30 10 JDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)N(C)C1CC1 1541866274 HECURHLODIKGJG-ROUUACIJSA-N 487.630 1.682 30 10 JDEE CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1548317506 CIFRCEOUUWLBLK-UHFFFAOYSA-N 480.598 1.754 30 10 JDEE CCn1nccc1C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(=O)NCCOC 1548372635 PAWQEJKUAQGEFL-LJQANCHMSA-N 478.475 1.887 30 10 JDEE COCCNC(=O)[C@H]1CN(S(C)(=O)=O)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548376071 JXECEWBJJXZCGS-GOSISDBHSA-N 488.532 1.818 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)ccc1F 1583307611 XVHHOCVLITYQMG-HNNXBMFYSA-N 457.524 1.656 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1587621415 UDEPTUXZKHDBSQ-QMHKHESXSA-N 484.582 1.243 30 10 JDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1587750468 YJSCDHHWCKACFS-UHFFFAOYSA-N 460.586 1.921 30 10 JDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1587759503 VPEYRKRHWQGUQW-QHAWAJNXSA-N 469.634 1.659 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccc(Cl)cc1 1587990405 WKHZAFIMPNWVHK-ZWKOTPCHSA-N 467.979 1.722 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H](Cc1ccc(F)cc1)C(N)=O)[C@@H]1CCS(=O)(=O)C1 1588029421 HSQQFGSDBSWKCD-IMFGXOCKSA-N 475.590 1.902 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588053599 GEYQZOAHVTWURC-AZUAARDMSA-N 497.687 1.071 30 10 JDEE C#CCN(c1nnc(CC)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588059328 LWPXIJLJUYPXMC-IRXDYDNUSA-N 451.593 1.867 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(O)CCS(=O)(=O)C1 1588109503 GHCMHVNSCZZCBT-LJQANCHMSA-N 481.347 1.469 30 10 JDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCN(C(C)=O)CC1 1588276656 UMYZHIYFGPWSJL-UHFFFAOYSA-N 486.646 1.170 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1589068990 GZCPXRWRJZLOAK-GOSISDBHSA-N 491.614 1.535 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(C(N)=O)CCOCC1 1595094109 NPOLOMJRFHIPJJ-IBGZPJMESA-N 463.542 1.576 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1595555516 AWJVKFZAOZRAML-QHCPKHFHSA-N 471.512 1.935 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@H](OC)C(F)(F)F)C1 1595730743 YILKBRCERZCTMR-BZUAXINKSA-N 497.540 1.360 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1595772737 HBIZKIFXQXARCP-IBGZPJMESA-N 458.588 1.664 30 10 JDEE CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1617304277 BFVLLJPSXUIVOK-LJQANCHMSA-N 472.571 1.398 30 10 JDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(Cl)ccc2OCCCOC)CC1 1621835268 JATXXRADJSZARQ-UHFFFAOYSA-N 457.980 1.201 30 10 JDEE C#CCN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@H]2CCCO2)C1)[C@H]1CCS(=O)(=O)C1 1630831002 XJBXPRWMAIYLBH-YDZRNGNQSA-N 454.589 1.830 30 10 JDEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@@H](CO)CN2CCOCC2)c1 1639274114 HXHFRYSLNWXKIW-LJQANCHMSA-N 454.552 1.712 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689993618 IHZFEPZQTYYPJJ-SFTDATJTSA-N 490.674 1.538 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCCS1(=O)=O 1690039516 IWMLQHFCRAMBTL-UHFFFAOYSA-N 457.556 1.461 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(S(C)(=O)=O)CCCC1 1690096674 XRLRRAXKBOBWPF-UHFFFAOYSA-N 494.639 1.792 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC2(CS(C)(=O)=O)CC2)CC1 1690133587 MLEFHTFVXXSACR-UHFFFAOYSA-N 473.599 1.446 30 10 JDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690361430 UBNUFTDFTLOWIT-IRXDYDNUSA-N 466.970 1.026 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(CC)noc1C 1690597348 RBYLKNJCKZYTTK-SFHVURJKSA-N 450.565 1.697 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(c2nccnc2C)CC1 1690676866 GXGZWWYTQZTNPY-UHFFFAOYSA-N 478.557 1.593 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C)ccc1OC 1705494989 JBBNMVUGFIVIGV-PXNSSMCTSA-N 461.588 1.629 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)ccc2Br)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1705559975 CPPHTOFHEYFWRQ-AWEZNQCLSA-N 495.399 1.868 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cc(F)ccc1OC)[C@H]1CCS(=O)(=O)C1 1705565796 KGWCKSFSJCJUAB-APWZRJJASA-N 462.547 1.995 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1705567433 WHJKMRYFSUWZHI-CVEARBPZSA-N 450.590 1.201 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1705570643 PXZMJGBPOYIWOZ-QGZVFWFLSA-N 489.552 1.535 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1705626930 NXSARGWANGHHBT-IBGZPJMESA-N 479.585 1.482 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2C[C@]2(O)CCN(C)C2)n1 1705632139 WHSGTNLOJDOEEI-DEOSSOPVSA-N 464.574 1.198 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cs2)CC1 1705830391 OJJUHXIVPCRRDN-KRWDZBQOSA-N 466.633 1.864 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)CC1)C(C)C 1705869206 OYXJRCWALFPGGX-RTWAWAEBSA-N 478.663 1.547 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(S(C)(=O)=O)CC1 1705897324 KIDRVHPIFBIAFM-HNNXBMFYSA-N 465.551 1.873 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@](C)(C(N)=O)C1 1705931118 GKSPVZMNVMUZJQ-QFIPXVFZSA-N 469.571 1.638 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](OCc2ccccc2)C1 1705934869 ZLLDRLJDIFBYRE-RBUKOAKNSA-N 459.572 1.626 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H](c1ccccc1)N1CCOCC1 1706848494 FYCATPLNQKGUKY-WSTZPKSXSA-N 475.619 1.700 30 10 JDEE Cc1c(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)cnn1C 1707022488 AUOXPFZCNRZXJI-UHFFFAOYSA-N 454.560 1.379 30 10 JDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)CCN1S(C)(=O)=O 1712849968 GIVBZCZVAVRIGR-INIZCTEOSA-N 462.576 1.360 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN2CC)c1 1722304898 JYGKWNSSZUNOKG-PXNSSMCTSA-N 487.630 1.429 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2CCCN2S(C)(=O)=O)c1 1722308562 CGZVDBDYYPKIHM-LJQANCHMSA-N 494.581 1.215 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1722366901 SZLISMZFXSQWJL-BHDDXSALSA-N 472.611 1.856 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722369389 YPGWEAVRTFDJMJ-IAGOWNOFSA-N 494.618 1.113 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(C)cc2N2CCOCC2)CC1 1722432033 VNYOSPNWYQMDDW-JOCHJYFZSA-N 482.629 1.951 30 10 JDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1722440476 JSAPTMFUKJXWAD-NRFANRHFSA-N 471.627 1.652 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOCCC(C)C 1722475012 RLRBLWHRSJZKGA-GHTZIAJQSA-N 453.609 1.666 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCCC2)CCOCC1 1722500901 LEKSGAXIJANLAC-GOSISDBHSA-N 454.641 1.936 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1CC 1722511293 ZOGUTAWWPWQUES-XWSJACJDSA-N 453.609 1.971 30 10 JDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722604348 YKVIOIXWKRPQIH-IBGZPJMESA-N 464.636 1.281 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C)C(=O)[C@H]1C)C(C)C 1722663254 SWYITVCOKWPOGT-UXHICEINSA-N 457.623 1.880 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(=O)NCC)c2)C1 1722718587 LSQKMJCHPOFJFS-VQTJNVASSA-N 473.599 1.760 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1722729303 ITUOZOIWOJCSSG-UHFFFAOYSA-N 486.623 1.889 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c(c1)OCCO2 1722867846 IBRXBESZOQRBSZ-UZLBHIALSA-N 490.586 1.221 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1740534217 XXXDBAXJTMVNCO-BXWFABGCSA-N 474.587 1.512 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740615512 GBKQXEZGWKOIBE-DLBZAZTESA-N 451.593 1.202 30 10 JDEE C#CCN(c1nnc(CC)n1C[C@@](O)(c1ccccc1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740626447 KRCDGOAMLSYOCG-QFBILLFUSA-N 456.490 1.917 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCOC[C@H]1C 1740643638 OTTWYMBANLBYFY-XMMPIXPASA-N 475.641 1.436 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740684825 CJTNETUVDBHTFO-OTWHNJEPSA-N 451.593 1.072 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1740706686 ZLWHDVMUSTZLGI-ZVDOUQERSA-N 469.634 1.563 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCCC(=O)N(C)C)CC1 1740707485 DKXXIVXQMPYWLJ-UHFFFAOYSA-N 470.549 1.830 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCOC[C@H]2C)CC1 1740710534 YMEVMXRFZJHTNH-PBASOCQRSA-N 459.591 1.641 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1740717267 NRUYVVFSQDZLBU-OKZBNKHCSA-N 485.676 1.617 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCCC2=O)CC1 1740750460 CBOLVTSFKYKLPL-OPYAIIAOSA-N 494.662 1.851 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(OC)cc2C1 1740887072 BIXZGZULHKXYNA-NRFANRHFSA-N 491.614 1.775 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(CCOC)C(=O)C2)cc1 1740967343 DJIURULCHSGNLN-IBGZPJMESA-N 489.598 1.088 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(F)c2)C1 1740971910 AEDNPEBILKDWEQ-GOEBONIOSA-N 453.540 1.866 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)N(C)C)C1 1740979142 BQGKEIBVVMRGHK-DLBZAZTESA-N 464.567 1.456 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCNS(=O)(=O)CC)C1 1740984653 HBPPGLXWBGGOPX-RCCFBDPRSA-N 455.625 1.917 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCC[C@H]2CC)CC1 1749001163 KOADTFCPMLGIIG-OAQYLSRUSA-N 469.634 1.744 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@@H]2CCCO2)CC1 1749721340 HNNUDDMZFBPLOP-SFHVURJKSA-N 474.587 1.922 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1749722034 ZOONNAORIHZALT-UHFFFAOYSA-N 484.586 1.332 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1749736843 QJNLGKGYQCTFBO-UHFFFAOYSA-N 458.588 1.313 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760096131 GLIGFKWIVYENSG-INIZCTEOSA-N 464.530 1.638 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)N(C)C 1760112401 GBUJZNCOADOVIE-INIZCTEOSA-N 468.624 1.742 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1760127689 IQZUQUFTGXISQB-FQEVSTJZSA-N 478.578 1.755 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1760187526 WPTLTUXUSZFVQF-IBGZPJMESA-N 458.975 1.931 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1CC1(S(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1760189353 IDLNWVTZRXQKTN-QGZVFWFLSA-N 454.618 1.215 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C(=O)NCC)cc1)[C@@H]1CCS(=O)(=O)C1 1760189727 VXGHMTCRNNJWSR-WOJBJXKFSA-N 471.583 1.207 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760190800 ZPIBLWJRGZWEGZ-MOPGFXCFSA-N 457.604 1.484 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC(=O)N2CCN(c3ccccc3)CC2)CC1 1760265046 MBDAFTBWJXFSQR-UHFFFAOYSA-N 477.613 1.716 30 10 JDEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760276395 CBSLLIAEEFETQC-OAHLLOKOSA-N 474.974 1.121 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1760450654 PFHLWQYOERHFNO-BZSNNMDCSA-N 457.597 1.207 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C1CCN(CCC)CC1 1760521139 KOCMHZSMQQLSCW-UHFFFAOYSA-N 478.601 1.805 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC(C(=O)C(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1760558528 REVWTAJKCKKLMT-LJQANCHMSA-N 494.536 1.879 30 10 JDEE CC(C)(O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1760816888 ACURLRWCKMQIIQ-NRFANRHFSA-N 486.642 1.925 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2CCOC[C@@H]2C1 1772660473 HVMQANXOHYEJET-IBGZPJMESA-N 491.614 1.474 30 10 JDEE C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@H]1CC[C@]2(CC#N)O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 1848437860 NABJBPJRLFFNEZ-XKXWZSLMSA-N 487.549 1.754 30 10 JDEE CCOC(=O)CCN(C)C(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1 1858987771 LPNXPUOBFDZRHV-UHFFFAOYSA-N 486.550 1.814 30 10 JDEE C=CCN1C(=O)C(NCCc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(OC)c(OC)c2)C1=O 1863523459 HEIPQXZVRYVOSO-UHFFFAOYSA-N 471.535 1.449 30 10 JDEE C=CCN(CC=C)c1nc(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)n([C@@H]2CCS(=O)(=O)C2)n1 1870004551 CZRUTJOAQZQMLS-JKSUJKDBSA-N 450.565 1.012 30 10 JDEE COC(=O)c1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc1 1891332201 CXAJDEKOZRVUND-UHFFFAOYSA-N 477.627 1.672 30 10 JDEE C#CCN(C(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2009891374 DXRSJYYZMXEIBN-OALUTQOASA-N 450.557 1.745 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255643438 UKEAEPSLOQBBNN-QWHCGFSZSA-N 453.370 1.542 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1(F)F 2256614721 PFLDLZFGNXEKSP-NXEZZACHSA-N 460.312 1.604 30 10 JDEE CCc1nc(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267162999 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C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1286484693 NKCKPUGCKFBJMV-IBGZPJMESA-N 480.539 1.158 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(=O)NCC=C)CC1 1286493151 SRZNFDPPUQQQEE-UHFFFAOYSA-N 464.570 1.742 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1286592869 YUVPEHCNOGDZNY-SFHVURJKSA-N 476.603 1.879 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286671706 XOIPLOMJGAXYTM-QGZVFWFLSA-N 452.563 1.652 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](COC)C1 1286791599 XFMBRKRMFDFZAX-IAGOWNOFSA-N 464.567 1.361 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286821354 ICYKYNHNKSEZDV-SFHVURJKSA-N 476.603 1.968 30 10 JDEE CCN(CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1)C1CC1 1295819253 IEUGBBXTROWFBN-SFHVURJKSA-N 486.646 1.571 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1300489321 MDHRQEGQMCSVOA-QGZVFWFLSA-N 460.556 1.504 30 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JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1301520574 IXBCOQDGLUTYIL-OAQYLSRUSA-N 470.574 1.771 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1301568364 RYVXWTVAKCZEDD-SFHVURJKSA-N 494.662 1.494 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCC2(CC1)CNC(=O)C2 1301593599 QNUFSKWRAMEJKQ-UHFFFAOYSA-N 489.598 1.573 30 10 JDEE CC(=O)Nc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)cc1 1301787782 HGTXBEIVOVGUFU-KXBFYZLASA-N 475.575 1.214 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1303471671 IFESBVPKXCGDRM-HNNXBMFYSA-N 472.575 1.258 30 10 JDEE C[C@H]1COCCN1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1303809180 GSTSSPYOOUMUJF-DLBZAZTESA-N 461.592 1.117 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)c1cc[nH]n1 1358900910 VTVWUGKKHVNUGP-HRCADAONSA-N 456.551 1.660 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)c2ccccc2C1 1358913501 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30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(N2CCNC2=O)CC1 1740583214 WQJARQJMXRNNDT-UHFFFAOYSA-N 485.614 1.603 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1740619209 GPESXFMHUMGXBS-IEBWSBKVSA-N 473.599 1.885 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)CN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1740628084 NBHJRXXTTBSOQS-QHAWAJNXSA-N 478.663 1.030 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1740628630 ZEOJUOBHMNFILE-RBUKOAKNSA-N 450.605 1.884 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1740628747 ZYBAIRCNPOZJAH-RTBURBONSA-N 463.604 1.105 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCn1cc(CO)nn1 1740675182 IUAPYUZYRLEWFJ-SFHVURJKSA-N 458.567 1.984 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@H]1C(C)C 1740731596 DLALZXDKQXIAAI-MDPIYQRISA-N 465.620 1.664 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1740750123 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C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1749115458 QKOQWMNUTQYFCA-UFYCRDLUSA-N 473.622 1.140 30 10 JDEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749257121 JSDJFQOOAZBOAE-JTQLQIEISA-N 471.768 1.669 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CCCO)CC1 1749658084 LHZCAJWEFYVENK-UHFFFAOYSA-N 451.535 1.212 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1749664268 IXNPEPSNXGMXQY-UHFFFAOYSA-N 480.617 1.413 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1749677958 QHVGAUQOIYKHMD-LJQANCHMSA-N 470.622 1.819 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(C)=O)CC1 1749687383 QHZDMCROXLGEHX-INIZCTEOSA-N 476.603 1.606 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2nncn2C)C1 1749694409 RQPNRDUMEHPJRU-QGZVFWFLSA-N 456.938 1.820 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC=C(COC)CC1 1749734263 HLJCVIQFDKTOGT-UHFFFAOYSA-N 487.630 1.836 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](N2CCCC2=O)C1 1749736277 HOHVAWIICJRICN-KRWDZBQOSA-N 464.617 1.436 30 10 JDEE C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1)N(C)C 1751142687 GGBWVEDYOMYFOJ-UTKZUKDTSA-N 487.630 1.602 30 10 JDEE Cc1cccc2c(CCn3c([C@@H](C)NS(C)(=O)=O)nnc3N3CCO[C@H](C#N)C3)c[nH]c12 1751654562 AFTLORAJSZYRDY-NVXWUHKLSA-N 457.560 1.650 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCS(=O)(=O)CC 1760119528 AZXSGZHMCZGDDA-FQEVSTJZSA-N 458.632 1.535 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@](C)(O)c2ccco2)c1 1760127423 YZCMOZCTCCJAEO-XMMPIXPASA-N 464.526 1.973 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760181673 ZMNPSCAHRNBZMJ-LGVFNWMJSA-N 493.674 1.821 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1760182968 NMBZJTGCCDFCQY-MRXNPFEDSA-N 456.553 1.662 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760189082 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CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)OC[C@@H]2C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2284017644 IDVBGMXFPCOXAS-ILXRZTDVSA-N 479.408 1.940 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](COCc1ccccc1)CC(=O)O 2284453119 FYSVQSXURBSTNS-KRWDZBQOSA-N 457.336 1.818 30 10 JDEE CCCn1c(N2CCN(C)CC2)c(C=C2SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 2314461868 OBVYHUOYJMLXAM-UHFFFAOYSA-N 475.596 1.476 30 10 JDEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3N=Cc3cccnc3)CC2=O)cc1 2325880555 FSRDTMRZJABBDW-HNNXBMFYSA-N 451.512 1.662 30 10 JDEE CO[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2339945932 ZLXHGJWWILFWAL-CYBMUJFWSA-N 491.441 1.401 30 10 JDEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2370324739 LCQZUMGGTMRCRN-UHFFFAOYSA-N 482.408 1.180 30 10 JDEE C=CCOC(=O)[C@@H]1O[C@@H](OC(=O)C(C)(C)CCCOc2cc(C)ccc2C)[C@H](O)[C@H](O)[C@@H]1O 35644428 SQWCELLFUXRDOB-BEZXDORVSA-N 466.527 1.569 30 10 JDEE CCN1C(=O)[C@]2(/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)c2ccccc21 102604879 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C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1300889473 QPDBQCJUBHMCTG-CTNGQTDRSA-N 458.607 1.762 30 10 JDEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1301273700 VOUSJBWLRPQYFY-IIBYNOLFSA-N 450.561 1.989 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@]3(C)C2)cc1 1301519049 POLDYCTZFDPUQV-ZHRRBRCNSA-N 490.586 1.532 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CSCCS2)C1 1303939202 AYISNWITGNLNOR-FRQCXROJSA-N 486.689 1.590 30 10 JDEE C#CCOc1ccc(F)cc1NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 1310370487 BTFJNIOXLFBSRP-HZPDHXFCSA-N 454.524 1.341 30 10 JDEE C#CCN(C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1311822725 SEQLLRCEGWGHLZ-MJGOQNOKSA-N 450.580 1.861 30 10 JDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCOc1ccc(Cl)cn1 1314871239 HDWHGRXNZUUFEW-UHFFFAOYSA-N 475.962 1.930 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1358958347 MJPBDZMLGCPDER-SFHVURJKSA-N 450.586 1.179 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358965868 CTGWQUIJOLZOBN-NRFANRHFSA-N 498.609 1.078 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)N1CCOCC1 1359023295 GOQXSHFOEICTAA-UHFFFAOYSA-N 493.612 1.872 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)CN2CCOCC2)CC1 1359043267 OAHXUQACVCZOPS-IBGZPJMESA-N 451.575 1.274 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)CC(F)(F)F 1359070892 XQUYTVPBWKGBAE-QFBILLFUSA-N 492.568 1.487 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1nncn1C 1359203962 ZIWJPUMBASLJMW-SJORKVTESA-N 464.596 1.437 30 10 JDEE CC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1359394862 HEEUMGDQNPUHKG-VHXPQNKSSA-N 477.569 1.648 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccn(-c4ccc(F)cc4)n3)CC2)cc1 1441005694 AVCBXSAXRYCFQZ-UHFFFAOYSA-N 453.499 1.959 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc(F)c(C(=O)N2CCCC2)c1 1475099400 BXSLJGMUPOYYDJ-HNNXBMFYSA-N 458.519 1.623 30 10 JDEE CN(C)S(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@](C)(C#N)C1 1503407140 FTFJDLKWGYCZDN-WIYYLYMNSA-N 460.560 1.812 30 10 JDEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1505129450 GCYXINLSGOHJNN-QGZVFWFLSA-N 451.574 1.265 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)c(OC)c1 1507617158 RKMJKMGMYGPNGF-QGZVFWFLSA-N 453.952 1.391 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCS(=O)(=O)CC1CC1)[C@@H]1CCS(=O)(=O)C1 1507635574 XHBNQGFCDXZGBA-QGZVFWFLSA-N 456.634 1.318 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OCC 1507688771 DNUYPKOTKCCRJU-FQEVSTJZSA-N 461.588 1.712 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC(=O)NC(C)C)CC1 1507734784 YBRLTTRWMUNTMJ-UHFFFAOYSA-N 482.585 1.843 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)C(=O)NC)CC1 1507741433 SNSSGCFUSWWACD-UHFFFAOYSA-N 470.549 1.734 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2c(CC)nn(C)c2OC)CC1 1507743093 ZBPLEODFPAGFGD-UHFFFAOYSA-N 476.585 1.583 30 10 JDEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1507781558 BZTUVWQXJJWXOR-HNNXBMFYSA-N 488.346 1.052 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC)CC1 1507799647 RXXNQOYYDLWUAL-SQNIBIBYSA-N 451.593 1.124 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cc(C)oc1C)C1CC1 1507993258 PDSQFIZMOWJAAX-SIKLNZKXSA-N 479.603 1.883 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1508072281 PCZHZBQPWLGQNQ-HXUWFJFHSA-N 465.558 1.948 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1508074911 UKBZXGFBEIXGKX-QGZVFWFLSA-N 483.598 1.453 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C)=C(Br)C1 1508131132 KUWIDFWPIURERM-UHFFFAOYSA-N 472.409 1.994 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1508136840 HYFMHMUYTMCGDC-SFHVURJKSA-N 490.561 1.452 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1508142589 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C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCOCC1(C)C 1300915356 NRWFCMVVSBQOOA-SFHVURJKSA-N 470.640 1.124 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1301520561 IQWHVPWSMRJIKA-ITSWEJNFSA-N 459.522 1.541 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCNC(=O)[C@@H]1CC 1301568181 PWHWWXUCBKNJRH-SFHVURJKSA-N 474.587 1.463 30 10 JDEE CC(C)(C)C(=O)NCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1302014438 IBBSOTXZOJNYPK-QGZVFWFLSA-N 473.965 1.753 30 10 JDEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1358917445 QRPKIFAJRPYAPP-UHFFFAOYSA-N 468.533 1.727 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1CCc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1358962024 IZSYHZQOISURMZ-IBGZPJMESA-N 476.624 1.819 30 10 JDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCO[C@H]1C 1358996980 ZWVHMAPFWFDMAD-HOFKKMOUSA-N 476.625 1.646 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC12CCC(CC1)C2 1359024709 TWNYVVOCFDNFQN-IDYZSHNDSA-N 451.593 1.277 30 10 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C#C[C@@H](NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCCO1 1539109104 LFIUMVWIZRXOOL-HZPDHXFCSA-N 457.346 1.381 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1539205021 FAZMOJGOBWCSKX-GOSISDBHSA-N 475.571 1.115 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1539224977 KWMGYEBESSKQSO-CVDCTZTESA-N 474.583 1.310 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCN(Cc2ccccc2)CC1 1539325105 BYMDXFVFBLARSK-DEOSSOPVSA-N 494.665 1.461 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@H]2COCCO2)CC1 1539441086 KIYWSDOHOFEDIE-HXUWFJFHSA-N 455.559 1.913 30 10 JDEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1539498758 ZOVIHHUKGMTYDF-LJQANCHMSA-N 451.556 1.653 30 10 JDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1539705182 QVKBEHFOHFTDOD-HSALFYBXSA-N 450.653 1.751 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1539729457 PZZHEOKYUQSSGZ-GOSISDBHSA-N 490.586 1.429 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nccs2)CC1 1540036668 RBVSVGLEZULHQP-KRWDZBQOSA-N 466.633 1.946 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1540873230 RQIPIEBMJKJITI-UHFFFAOYSA-N 479.589 1.403 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1540908424 VQNJEFZHLAEXPA-NJDAHSKKSA-N 480.679 1.725 30 10 JDEE C[C@@H]1CCC[C@](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)(N(C)C)C1 1543883762 BNZQBCOLCUPOOP-IWQHBPENSA-N 481.667 1.860 30 10 JDEE CCN(CC)CCN(C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)[C@H]1CCS(=O)(=O)C1 1545876561 DIVBMLRWCDCOQA-OALUTQOASA-N 450.580 1.881 30 10 JDEE COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c(OC)c1OC 1554929338 CHPDAOMQMIJKTA-AWEZNQCLSA-N 478.575 1.702 30 10 JDEE C=CCC[C@H](NC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1)C(=O)OCC 1556643338 JRCNINKSWFCMCW-YSIASYRMSA-N 452.573 1.948 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)c1 1558254770 DHVHCMPGKIXHRG-NRFANRHFSA-N 451.545 1.354 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccsc1)N(CC)CC 1587990307 VHQXGQKEMINVEE-OALUTQOASA-N 480.660 1.825 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1588034334 DHLIQYLSMHDFGL-PGRDOPGGSA-N 462.547 1.744 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1588034432 FYIDOQMJCOUZSH-MOPGFXCFSA-N 475.527 1.286 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1588034670 KFTAQOLEKAUFBC-AWEZNQCLSA-N 493.391 1.332 30 10 JDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1588276329 LIKAUHFNBZJQQB-UHFFFAOYSA-N 484.358 1.759 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1 1589068766 DSQSFDWIVACZJF-IAGOWNOFSA-N 478.619 1.620 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC)CC1 1589403719 CFOJLZCJSOGHCF-CYBMUJFWSA-N 462.370 1.367 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC12CCOCC2 1589662781 BQQLELQPNKSETP-ZWKOTPCHSA-N 453.609 1.830 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1593691496 WRPYIPMHNGYMGB-NRFANRHFSA-N 481.601 1.455 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1594812476 GPUTYNUOJFMQEN-SJORKVTESA-N 451.593 1.268 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](COC(C)C)C1 1595490436 RLUTZVOKPXDSCI-MRXNPFEDSA-N 481.395 1.979 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1595804779 GIEDSJZYHBMYJS-NQIIRXRSSA-N 489.598 1.696 30 10 JDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1595866644 SFHWLTHMFODTIZ-YLJYHZDGSA-N 458.636 1.587 30 10 JDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(N2CCOCC2)CC1 1611633178 AHWGIFVDVNYVHC-KRWDZBQOSA-N 458.588 1.551 30 10 JDEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)[C@H](O)c3ccc(C#N)cc3)cc2)CC1 1627804385 SRPRQXXHPPGPLY-XMMPIXPASA-N 450.539 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CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H](O)C1 2284046538 CCXLXSWZJCSVBB-IVZQSRNASA-N 482.408 1.396 30 10 JDEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C[C@H]1O 2284123685 AJLIEBJQVTXAEL-UZUQRXQVSA-N 466.384 1.921 30 10 JDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285180214 DCBKBDICXNMOSN-UHFFFAOYSA-N 465.331 1.382 30 10 JDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2286122735 ZSMRBBQLULGRHW-GFCCVEGCSA-N 497.370 1.805 30 10 JDEE C[C@H](C#CC(=O)N1C[C@@H]2C[C@H](C1)[C@@H](CO)[C@H]2NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 2318685032 IIPRYGQOHMLSFI-ILYVXUQDSA-N 451.564 1.883 30 10 JDEE COC[C@@]1(C)C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2364199663 KKNNWLCAQCREFC-JLCFBVMHSA-N 464.372 1.853 30 10 JDEE CCOC(=O)/C=c1\s/c(=C\c2ccc(C#N)cc2)c(=O)n1Cc1cc([N+](=O)[O-])cc2c1OCOC2 9254507 PROWDBHAJNJBLK-AKJVRHCLSA-N 493.497 1.777 30 10 JDEE CCCCNC(=O)/C(C#N)=c1/s/c(=C\c2ccccc2OC(F)F)c(=O)n1CCCOC 13138651 SSWVXUHRIZUHRC-MQIZRQQTSA-N 465.522 1.967 30 10 JDEE CCOCCOc1ccccc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)N=C(N)N)cc1 20375297 VRHQNQILBICVMV-UHFFFAOYSA-N 465.557 1.191 30 10 JDEE N[C@@H](CC/C(O)=N/[C@@H](CS[C@@H]1C=Cc2c(cccc2[N+](=O)[O-])[C@@H]1O)/C(O)=N/CC(=O)O)C(=O)O 30728503 SFJZEQDXMXSLGC-OVAAFMSASA-N 496.498 1.315 30 10 JDEE in-man,metabolite COc1cccc([C@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)c1OC 72444241 GXCVTJQIBCBZEF-GDBMZVCRSA-N 467.482 1.354 30 10 JDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 105285860 HQVZFXIDISTJGB-GOSISDBHSA-N 457.531 1.842 30 10 JDEE NC(=NO)c1nc(-n2cnc(I)c2I)ccc1[N+](=O)[O-] 312885985 QFVLZUJMWBTAJU-UHFFFAOYSA-N 499.994 1.479 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 521135304 LYBDCLBTAVSQTQ-UHFFFAOYSA-N 463.387 1.108 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1C[C@H]1CCCO1 603798164 JSGSZYCOXSGKBN-MRXNPFEDSA-N 463.481 1.913 30 10 JDEE COCCn1cc(C=NNc2nc(SCC(=O)NCc3cc(OC)cc(OC)c3)n[nH]2)cn1 1084149119 SLIHGAXVBWJVRE-UHFFFAOYSA-N 474.547 1.519 30 10 JDEE COc1ccc(CCNC(=O)CSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)cc1 1084297395 APUICXSKQZYVGW-UHFFFAOYSA-N 457.564 1.675 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1286275187 NFTOLGSNFMOMNZ-VJBMBRPKSA-N 463.648 1.985 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1286352181 JBSKIJRXPDZBTE-LJQANCHMSA-N 490.561 1.017 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2)c(F)c1 1286466474 HCDDUNUAJXCMEI-SFHVURJKSA-N 472.546 1.639 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1286483661 SNVYACWMWDPNOW-UHFFFAOYSA-N 471.606 1.555 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1286494743 OTBRJCWIGUOPJV-QGZVFWFLSA-N 472.619 1.709 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCNC(C)=O)Cc1ccsc1 1286776086 CDFPTQVIZFBENC-KRWDZBQOSA-N 468.605 1.001 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1286784304 CYUDNCZTNZUGKI-QGZVFWFLSA-N 476.603 1.364 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccc2)CC1 1286813829 CXKPUTXTLKRQEF-UHFFFAOYSA-N 481.582 1.853 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1286814567 CEHMXRWBNGWEMC-VGSWGCGISA-N 462.572 1.939 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1286822389 CWWTYUXFAWRUCV-JOCHJYFZSA-N 459.572 1.625 30 10 JDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1286835223 TWQCJCRXSROOHJ-PZJWPPBQSA-N 489.690 1.699 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cccs2)C1 1296328632 DKGSELOBFXQYAW-SFHVURJKSA-N 499.622 1.826 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(O)CCS(=O)(=O)CC1 1300300449 ZISIMCSCZQBBIM-QGZVFWFLSA-N 454.556 1.528 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1300307877 JLPYCHMGTGWRIR-IEBWSBKVSA-N 472.619 1.334 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1300478791 BNUNJCMNSFELHO-AVRDEDQJSA-N 496.703 1.261 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1300506234 PZBITFVOCWSRQO-QGZVFWFLSA-N 452.481 1.240 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1300527279 DPAVNKCRZVBUNH-GOSISDBHSA-N 493.593 1.172 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cc(C(F)(F)F)ccn1 1300537647 HUZNTJWFAYDVPN-OAHLLOKOSA-N 451.474 1.910 30 10 JDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1300595967 IVCGEQNUUFNXSG-UHFFFAOYSA-N 450.587 1.979 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCCCOC)cc2)CC1 1300699520 DVNQHLRATPEBEJ-NRFANRHFSA-N 487.626 1.399 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)cc2OC)CC1 1300700210 NBAWLNLBLLUMIY-SFHVURJKSA-N 459.572 1.001 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N1CCCCC1)C1CC1 1301326987 KHKMLRCEYZAGJC-SFHVURJKSA-N 466.608 1.168 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1301485289 UOKGCAMSQXESJL-LLVKDONJSA-N 476.422 1.941 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1301505829 BJROFFAOYHTJKG-WMZHIEFXSA-N 497.619 1.689 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)NC)CC1 1301569135 QJYLHCBJFRIJPL-INIZCTEOSA-N 480.566 1.619 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1301593052 HUUWBENKEPRSDF-UHFFFAOYSA-N 493.634 1.798 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H](C)C1 1301758344 GWOFVAXXRMYCNK-IUBFCHALSA-N 493.568 1.749 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(Cc2ccccc2)c1 1301967453 DGVRZOQFJMYZKN-RXVVDRJESA-N 498.613 1.500 30 10 JDEE CC(C)CCN1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CC1 1303089614 DCUWRUFJNLSVSU-PKOBYXMFSA-N 467.640 1.375 30 10 JDEE CC(C)OCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1303556055 HHUIRHUWCVPELG-INIZCTEOSA-N 479.582 1.651 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CC(C)(C)N3C[C@H](C)O[C@@H](C)C3)CC2)c1C#N 1304730316 CIANTSBOEDYFOD-IRXDYDNUSA-N 455.611 1.715 30 10 JDEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C1 1315085065 DXKGEJAZDZOAJH-IBGZPJMESA-N 487.582 1.943 30 10 JDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CCO1 1316538703 AGNIYTZGIMQAGO-HUUCEWRRSA-N 483.520 1.883 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CCNS(=O)(=O)c1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1358954983 BSUCUMYVWHGSJZ-MRXNPFEDSA-N 499.684 1.551 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CCOc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1358955489 MWJNNUCBKSUMKW-KRWDZBQOSA-N 480.612 1.511 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1358957392 UBBDITYUIYCYNF-NYVOZVTQSA-N 466.604 1.106 30 10 JDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)nc1 1359010182 JCLIFTSADOBRQA-GOSISDBHSA-N 469.546 1.588 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCOCC1 1359016688 JWRLCJJZFYSVLL-GOSISDBHSA-N 462.547 1.501 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1359259011 JKIIWSNAOXECDG-WOJBJXKFSA-N 493.655 1.797 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC1 1359277047 ASCXZFQUHTUIAM-HKUYNNGSSA-N 465.576 1.476 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1CCOC1 1360703972 DYHRZJFNFJHTJI-DOTOQJQBSA-N 477.566 1.262 30 10 JDEE C=C[C@@H](O)C(=O)NC1CCN(S(=O)(=O)c2ccc(I)cc2)CC1 1442986701 STXIVZMHHTUDFI-CQSZACIVSA-N 450.298 1.107 30 10 JDEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCC2)CC1 1503406380 DCMYIKAOTTYLRH-UHFFFAOYSA-N 473.603 1.295 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCO[C@@H]1C 1504873312 DTFCVYCTQYSSMJ-BVZALQNUSA-N 454.531 1.294 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1507558928 ZHVLIEYPZUVUAU-SVFBPWRDSA-N 493.678 1.071 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507629476 UKGGJYHMHWEPDO-GOSISDBHSA-N 489.598 1.457 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1507742068 AJGZPKWCBDPVBV-UHFFFAOYSA-N 454.522 1.966 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCCC2)CC1 1507751523 OYRXATFWNNTZLY-FQEVSTJZSA-N 496.703 1.432 30 10 JDEE C=CCN(c1nnc(CN2CCCC2=O)n1Cc1ccccc1S(=O)(=O)N(C)C)C1CC1 1507995138 DTGCZKWPGTXBPJ-UHFFFAOYSA-N 458.588 1.854 30 10 JDEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1508065594 MPQNQLHJNMUWJE-UHFFFAOYSA-N 489.374 1.733 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN(C)C(C)C 1509682160 AOQOAXLMVXOVCN-UHFFFAOYSA-N 453.595 1.740 30 10 JDEE CSCc1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1520201755 FWQYLHUOWVGMNT-RBUKOAKNSA-N 492.627 1.251 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1539093984 ISSWUGGHJYXQSV-HOTGVXAUSA-N 454.597 1.747 30 10 JDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccccc1S(=O)(=O)N(C)C 1539172001 QZRMEQRPJYDHRZ-UHFFFAOYSA-N 456.528 1.374 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCS(=O)(=O)C2)CC1 1539434645 RJCLTLANUWKISM-OAHLLOKOSA-N 481.420 1.236 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cccn(CC)c2=O)CC1 1539488465 JOLRTDLAXRZOGA-UHFFFAOYSA-N 499.575 1.924 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1539489829 OSPCWLDLKKNCSN-NHCUHLMSSA-N 485.633 1.038 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1539612947 RVVFTPKDVCWBJT-FHWLQOOXSA-N 480.635 1.261 30 10 JDEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1539690971 WHIGBSMRKUZRSV-UHFFFAOYSA-N 450.547 1.550 30 10 JDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1539743775 QRFNZOVFFWNJAG-SFHVURJKSA-N 450.609 1.984 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](C)C1 1540881098 YJMFPWHEPBXADX-NQIIRXRSSA-N 491.614 1.839 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](C)C1 1540881100 YJMFPWHEPBXADX-WIYYLYMNSA-N 491.614 1.839 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1540905256 SFUWZBFDLLICPL-LSDHHAIUSA-N 451.515 1.456 30 10 JDEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1540916497 CILOGWNVFFJIBJ-SJORKVTESA-N 493.634 1.720 30 10 JDEE C#CC[C@H](CO)NC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@H](C)CC 1556832737 HIPHZJVCFYJCQE-HBUWYVDXSA-N 457.980 1.235 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1588059034 HWRBJQZONXPNKK-IBGZPJMESA-N 456.547 1.840 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1594784283 VVTFVEHAZYNCGI-UHFFFAOYSA-N 458.567 1.511 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1595466035 CQJGMTVIACBCCB-INIZCTEOSA-N 473.965 1.126 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](Oc3ncccc3F)C2)nnc1[C@]1(OCC)CCOC1 1595602213 GULXOCCEPDXSAW-SBUREZEXSA-N 474.537 1.814 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC[C@@H](C)C2)C1 1595728922 HMKSWFMRAXOBFP-HCXYKTFWSA-N 453.609 1.829 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1595789044 MZPPJXWMPUSPCM-ICSRJNTNSA-N 472.615 1.541 30 10 JDEE C[C@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)C[C@H](C)O1 1612994739 DOPLFKGFZTZRHI-OALUTQOASA-N 488.614 1.463 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)[C@@H]2c2c(C)nc3ccccn23)c1 1633113530 GSUOTLIORBBCHS-FQEVSTJZSA-N 453.524 1.420 30 10 JDEE C#CCOCCN(C)C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1637864605 JFWDPAXQXORFRD-MRXNPFEDSA-N 459.362 1.090 30 10 JDEE COC(=O)C1(C#N)CCN(S(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)CC1 1655318547 HMHZLUVPPWPMIR-UHFFFAOYSA-N 456.318 1.801 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1S(C)(=O)=O 1689852939 MVOXVRKBZCULPW-KZNAEPCWSA-N 496.634 1.468 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2CCOC)c1 1689873242 BUAYUTCDRRLLPB-UHFFFAOYSA-N 452.540 1.972 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1689982083 HKMXFFSNYCTPNO-INIZCTEOSA-N 492.403 1.753 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)[C@@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1689984165 LZCGDLTYZMNAQJ-RXVVDRJESA-N 482.610 1.996 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1689984496 QFEKODYSXWAOSK-VGOFRKELSA-N 492.623 1.457 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1689992311 JEYWSRYVBNLSOZ-FUHWJXTLSA-N 480.587 1.069 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689993893 NFEYJIVVXSRFNE-IEBWSBKVSA-N 488.614 1.804 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@]1(O)CCS(=O)(=O)C1 1690013485 QFBUIIOHKHIMNS-JOCHJYFZSA-N 451.508 1.223 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1690046012 VEJVIOMCOJNMPK-GBESFXJTSA-N 452.538 1.038 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1690072688 PWPRSDZAWCTCCT-QGZVFWFLSA-N 468.583 1.959 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)CC1 1690132082 GPNBGELILAMVFL-YTTGMZPUSA-N 452.584 1.785 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(O)CCOC2)CC1 1690138154 TVXYFELDASMXHL-FQEVSTJZSA-N 477.363 1.153 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)C2CC2)CC1 1690236223 KACSQOBYLPXZIN-AYBZRNKSSA-N 480.635 1.365 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCOCC3)nc2)CC1 1690364153 KSBXTRBPPOTSNC-KRWDZBQOSA-N 461.592 1.325 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1690671243 RPXJTBBPQQKJAV-SFHVURJKSA-N 473.599 1.917 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@@H](C)C(=O)NC 1690671616 ZYKVPBMLTLTDFY-MRXNPFEDSA-N 477.610 1.513 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCSCC1 1690717760 PUIRUULKCSHWDW-UHFFFAOYSA-N 456.615 1.503 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690719495 NKKJAOWUWWUBGU-MRXNPFEDSA-N 458.993 1.823 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1690729220 JJQIRVABYAVJQF-GOSISDBHSA-N 484.648 1.144 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1690746876 LVJVINXTLDYFHN-NHCUHLMSSA-N 491.683 1.955 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)C2CC2)CC1 1692565110 CVQUMJAGGSXLLI-DEOSSOPVSA-N 451.575 1.624 30 10 JDEE CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1693948278 HPULBNOGTMGCAB-MBSDFSHPSA-N 490.630 1.998 30 10 JDEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCCCS1(=O)=O 1694115221 CCBWOMVOJHNPAF-SJLPKXTDSA-N 474.635 1.999 30 10 JDEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1695587970 BLXLCLRSQJHYHB-IBVKSMDESA-N 495.628 1.737 30 10 JDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCS(=O)(=O)C1 1696173707 CLSUMOADEVSFQK-SJORKVTESA-N 461.544 1.419 30 10 JDEE CN(C)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CCC1 1696606149 AIKRLIGYORQALA-UHFFFAOYSA-N 473.603 1.295 30 10 JDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccnc2OCC(F)(F)F)CCO1 1698492840 GEEFBUGPCFPAKA-ZIAGYGMSSA-N 451.409 1.342 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1705561327 PBYFSIMZDKWZHT-GOSISDBHSA-N 492.623 1.280 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705564830 CYJVUEQYOBKCAP-IRXDYDNUSA-N 489.602 1.523 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](SC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705567538 YNNCPUGEUDUXIU-OWCLPIDISA-N 453.634 1.634 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1705568525 PIKOWEPCEUOAAV-KRWDZBQOSA-N 491.545 1.465 30 10 JDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1705638248 DNIWXCLVTMZWHY-SFHVURJKSA-N 485.589 1.922 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NCC2CC2)CC1 1705646614 KAKYTBLBRGLCLA-UHFFFAOYSA-N 465.514 1.345 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)CN2CCOCC2)CC1 1705646838 PSQBLPJLFWZTGA-FQEVSTJZSA-N 480.613 1.888 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@](C)(O)c2ccccc2)CC1 1705648386 SQNVUPARZBVGRA-NLFFAJNJSA-N 499.637 1.444 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCOCC2(C)C)CC1 1705648627 VAZPTQONLJOILL-FQEVSTJZSA-N 458.607 1.249 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1705654018 VRNVYRYZCSHNDQ-WBVHZDCISA-N 467.621 1.049 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1705820048 ZPDRNCRXHCNODH-GOSISDBHSA-N 459.572 1.814 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC1CCCCC1)C1CC1 1705855245 YVIOSDYEPPKQIA-GOSISDBHSA-N 466.608 1.215 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)COC)CC1 1705906846 QOFSZNLNUPCDKS-UHFFFAOYSA-N 462.938 1.108 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCC1 1711073725 FPRIHCIMZAVFAO-LJQANCHMSA-N 474.587 1.424 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC2CCCC2)nc1 1722293040 BIJIXBWGQTZFGI-XLIONFOSSA-N 488.614 1.834 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1cc(Br)cn1 1722294132 GFONEQICBALCNM-UONOGXRCSA-N 455.382 1.687 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1722324124 LEFDURGJVQDBRD-KRWDZBQOSA-N 450.609 1.531 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1722371597 XDGMZWCLCBRXAD-RMMWZPCPSA-N 466.604 1.180 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722372319 UIGYVLUZDYWCCE-LJFZDNNRSA-N 488.610 1.239 30 10 JDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1722430281 DAKMEALLXKPPDT-GOSISDBHSA-N 455.563 1.408 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(=O)NCC(F)F)CC1 1722436605 JKUXVZOQFITQDU-KRWDZBQOSA-N 495.575 1.529 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCC=C)CC1 1722447951 RJEKFZFMZROTRW-KRWDZBQOSA-N 451.618 1.065 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1722527556 NQTWLQWYRFCIKW-HXUWFJFHSA-N 487.649 1.676 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)CC1 1722703938 LTLIYAASTDWHLL-HNNXBMFYSA-N 452.581 1.221 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCS(=O)(=O)N(C)C)C1 1722723086 VYUDBRAWXLGWMS-OAHLLOKOSA-N 455.531 1.820 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCCC2)C1 1724009860 GJLUDWWJQKFEFH-WIYYLYMNSA-N 465.624 1.227 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1740565321 RJPUPFVDBHLENE-PKOBYXMFSA-N 457.556 1.621 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCOCC2)C1 1740574326 KJAWRHYSDSNPAU-SFHVURJKSA-N 451.593 1.421 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1740615691 JAVRWMRDGPIXFF-JTSKRJEESA-N 463.604 1.082 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1740621655 YHGSYZQADAAIHN-IBGZPJMESA-N 466.567 1.922 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(=O)NCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740628762 ZYMKGHNKSAGBJO-RTWAWAEBSA-N 485.610 1.158 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC(C)C)cc1 1740640187 JDJPBWNSZZOVQY-JOCHJYFZSA-N 485.610 1.767 30 10 JDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1740679636 FKWFJVBVVFLFLW-RUZDIDTESA-N 467.570 1.739 30 10 JDEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1740719916 UIKYYGKDDLANGD-UHFFFAOYSA-N 469.583 1.985 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccco1 1740732273 XMVGCJPDVKMUKH-MAODMQOUSA-N 463.560 1.104 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCCC1(C)C 1740773822 DXZFPTXGGAZYGB-LAUBAEHRSA-N 455.625 1.955 30 10 JDEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1740882438 LHRNFFPFILWWNZ-UHFFFAOYSA-N 471.953 1.527 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(C)C)CC1 1740960189 MWOZYSAOPNSJMW-IBGZPJMESA-N 491.637 1.667 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCCS2(=O)=O)C1 1740983184 CXVPWKOIEZLWDJ-INIZCTEOSA-N 480.616 1.086 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(CC)C(=O)C1 1740988454 FGWONNFPPHLWFM-UHFFFAOYSA-N 452.968 1.653 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(CC(C)C)C(=O)C1 1740989273 HKSBLOZOPOJJFP-UHFFFAOYSA-N 461.588 1.859 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1740991256 RRZZBFHMQWSSRC-IBGZPJMESA-N 475.619 1.854 30 10 JDEE CCN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2)CC1)S(C)(=O)=O 1746004345 CJFXEKMVLMEZGK-UHFFFAOYSA-N 468.587 1.849 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC2(O)CC(OCC)C2)c1 1748692204 DRYTVDQYYZDAAG-NWKXHEKXSA-N 453.543 1.768 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1748735577 RHKQPZGBKGXPFE-UHFFFAOYSA-N 479.628 1.622 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C)[C@H]1CCS(=O)(=O)C1 1748803166 VPNIEPZGNBMWDF-FHWLQOOXSA-N 491.637 1.548 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1748822085 XJZOSTFZKMXCPX-IAGOWNOFSA-N 451.618 1.170 30 10 JDEE C#CCN(c1nnc(COCC)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748825168 WDAZRIZJFLUVND-OTWHNJEPSA-N 467.636 1.329 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(CCOC)CCCCC2)CC1 1748972962 SYJKNRQVEBREFX-IBGZPJMESA-N 466.652 1.631 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2cccn(CC)c2=O)CC1 1748984355 KRBXTSQVPNJEDL-UHFFFAOYSA-N 462.554 1.947 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1748995117 YAARLUKBEGCQHY-KRWDZBQOSA-N 453.513 1.040 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN2CCCC2)CC1 1749003406 ITBHYQATSYVMSF-XMMPIXPASA-N 458.607 1.382 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(OC)CCOC2)CC1 1749003706 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C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1300411827 OFGKLDIZCBVNPV-UZUQRXQVSA-N 458.563 1.716 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1300482471 GFUDVHITXGJBLK-LBVMUVSTSA-N 480.631 1.497 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1nnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 1300502383 SKPQXDJZEYMPRI-OAHLLOKOSA-N 491.643 1.225 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@H]1OC 1300528179 RTUMWOKNHCLKNL-WIYYLYMNSA-N 460.538 1.799 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cc(C(F)(F)F)ccn1 1300537645 HUZNTJWFAYDVPN-HNNXBMFYSA-N 451.474 1.910 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCNC(=O)C(C)C)CC1 1300711439 BUEVDOHKNYOUTR-UHFFFAOYSA-N 493.612 1.885 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2N(C)C)C1 1300733718 MNKGVAVOTYTSBB-OAHLLOKOSA-N 463.633 1.278 30 10 JDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1300946062 BVCQBSZHZPPHAR-UHFFFAOYSA-N 450.565 1.880 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1301148066 KPADQNJLNAQLDI-QGZVFWFLSA-N 457.579 1.103 30 10 JDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1301449897 HAMMTKSTBAHNLZ-UHFFFAOYSA-N 467.621 1.332 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC(=O)N(C)C)C1 1301543565 MJXXVPFCQCSICX-GOSISDBHSA-N 461.588 1.998 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1301586187 ISMUZAIXWXSLID-UHFFFAOYSA-N 467.617 1.268 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1358958045 GLDFZEHTLVHWDT-SFHVURJKSA-N 460.556 1.122 30 10 JDEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1358962376 OUQQSEVDTQVKKI-GOSISDBHSA-N 498.609 1.727 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1358972480 GGDSBSCQFIAHCS-UHFFFAOYSA-N 454.581 1.268 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCS(=O)(=O)C1 1359021392 NFNCLNUGDRCEIU-QGZVFWFLSA-N 462.572 1.873 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C)cc2O[C@@H]2CCOC2)CC1 1359028616 YBMXGNVWSQLNDQ-OAQYLSRUSA-N 466.586 1.696 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCN2CCOC[C@H]2C)CC1 1359030979 LYLZIVIEUFNGGN-LJQANCHMSA-N 484.601 1.447 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCc2cnn(C)n2)CC1 1359033326 YBKINJWFYCUTNL-UHFFFAOYSA-N 450.547 1.479 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1359042722 RHLOGUXBCPPALF-MRXNPFEDSA-N 491.017 1.784 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCCC)cc2)CC1 1359045404 GAWDIEYTGCCYST-OAQYLSRUSA-N 499.637 1.983 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1359227690 IKTDZCDICZAKTD-WMZOPIPTSA-N 492.598 1.844 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](n2cncn2)C1 1359293778 ZJUIUZTVCAWHSL-AWEZNQCLSA-N 460.340 1.771 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](Cn2cccn2)C1 1359296483 KXFGINREEFVEIE-GOSISDBHSA-N 467.530 1.366 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2N2CCOCC2)C1 1359313783 RDEONRDYWBINOH-ICSRJNTNSA-N 490.630 1.555 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359327904 NORRDQYQTVIBLI-ZHRRBRCNSA-N 477.562 1.874 30 10 JDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNS(=O)(=O)c1ccccc1 1507611699 OKORBJOYSGAFQS-UHFFFAOYSA-N 487.611 1.286 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1507627627 SVSJEZUFPQOLSX-HLIPFELVSA-N 454.618 1.310 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1507627813 FZJUMPTWZAHORF-WOJBJXKFSA-N 487.626 1.427 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507633228 RPLDSKGOFJKCGY-RBUKOAKNSA-N 498.671 1.546 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1507634681 LHJRLHTZQQHVSK-LJQANCHMSA-N 452.540 1.343 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1507635278 VQAFEMSKZNKYBR-OAHLLOKOSA-N 450.511 1.810 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccc(C)cc1 1507652671 ILRLPBSRYADTSH-OAQYLSRUSA-N 471.583 1.461 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N2CCOCC2)CC1 1507653956 UELKLFTYXBUKTE-FQEVSTJZSA-N 484.601 1.524 30 10 JDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOCC2)cc1 1507713383 HYHNDMFASNGRRF-UHFFFAOYSA-N 452.559 1.371 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3[nH]c(C)c(C)c3c2)CC1 1507722303 UDPHGCUUVIOKFK-SFHVURJKSA-N 469.615 1.790 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN(C)C2CCCC2)CC1 1507726744 LKQXJNUQXBHCPC-UHFFFAOYSA-N 455.632 1.899 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1507736376 JVACIBKUOYIALI-FQEVSTJZSA-N 489.555 1.789 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC2([S@@](C)=O)CC2)CC1 1507739917 GXJLFMHXJCCQBV-MGBGTMOVSA-N 469.611 1.777 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCOCC1 1507844127 CKLWMGUUFUVQAK-GOSISDBHSA-N 457.597 1.067 30 10 JDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1507966882 DARYNNKZMOYBHZ-NRFANRHFSA-N 488.633 1.705 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCCN(C(=O)C3CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1508149179 PILDOLRPNMFURL-QHCPKHFHSA-N 495.646 1.368 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCC2=O)CC1 1508151241 ANPWYCWBYOCONN-OAHLLOKOSA-N 456.638 1.399 30 10 JDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1522751486 UYQRRMGGBNAUHW-GOSISDBHSA-N 453.561 1.444 30 10 JDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CCN(C(C)C)CC1 1539171617 MNLUGVJINGEDPA-UHFFFAOYSA-N 463.586 1.980 30 10 JDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539176557 QNLHBKTYRCCGRN-ROUUACIJSA-N 480.635 1.744 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 1539200316 GNBAJIPQWGJNML-HZPDHXFCSA-N 457.547 1.869 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1ccc2c[nH]nc2c1)[C@@H]1CCS(=O)(=O)C1 1539203011 MOMMBGXZGSDUIW-HXUWFJFHSA-N 497.625 1.942 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1539215334 AGHCXIXDHZAERN-LJQANCHMSA-N 456.572 1.369 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCNC(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1539215420 BOPXYKOIUZEOGM-KRWDZBQOSA-N 484.607 1.767 30 10 JDEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1539231816 XBMFQJUYDYDFKN-SJORKVTESA-N 489.623 1.484 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCOCC1 1539312181 JSLOFXQPSJOGET-UHFFFAOYSA-N 456.572 1.243 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(CC)CC)n1CC(=O)N1CCOCC1 1539385101 WUQNJBMLGDCPMJ-UHFFFAOYSA-N 470.549 1.834 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2cccnc12 1539415937 IECNKNNOWQWRNX-HXUWFJFHSA-N 484.582 1.294 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC2(O)CCS(=O)(=O)CC2)CC1 1539482561 NABFZOFDFURQHR-UHFFFAOYSA-N 499.637 1.083 30 10 JDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC(N)=O)CC1 1540034173 XWOGJGFWFCZHFE-UHFFFAOYSA-N 465.558 1.877 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1NC(=O)CC1(C)C 1540186782 HDGOQVLLPILBQT-WMZOPIPTSA-N 461.588 1.923 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1540863589 YYRZODKUZDTTGL-NVXWUHKLSA-N 464.567 1.399 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](C(N)=O)C1 1540864516 BZYOIDKYNLOBIA-LLVKDONJSA-N 451.300 1.461 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1540870408 MTOUMYYDQUHEBQ-HXUWFJFHSA-N 459.639 1.469 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1540870498 OYNGSKGMBBNEOS-KRWDZBQOSA-N 458.538 1.949 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1540873150 OXMBZXBMYSIGRF-UHFFFAOYSA-N 451.575 1.795 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCCCC2)C1 1540892245 IIEZESJKSZXDHG-UXHICEINSA-N 482.651 1.268 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)O[C@H](C)C1 1540901620 KMXHXNVKIVEXJA-IAGOWNOFSA-N 486.598 1.889 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@]1(O)CCSC1 1541946749 AFAFUVYDFJACRV-XERREHJYSA-N 492.627 1.206 30 10 JDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1544575063 DICUUMSQSKKLPT-APWZRJJASA-N 472.571 1.363 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1 1545356331 WEXBBDXIWVKZCD-MAUKXSAKSA-N 451.545 1.352 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1547741602 ARXXBKRAWRICRC-SFHVURJKSA-N 458.588 1.992 30 10 JDEE C=CCC[C@H](NC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1)C(=O)OCC 1556643339 JRCNINKSWFCMCW-YZGWKJHDSA-N 452.573 1.948 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCNS(C)(=O)=O 1587684350 WQNBUWPYMJFLOM-HRCADAONSA-N 454.597 1.446 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1 1587793595 DWQOQAPSLGILBP-YJBOKZPZSA-N 453.561 1.905 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1588034109 BDIRJTJUTZGVMU-IAGOWNOFSA-N 477.562 1.710 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1Cc1cccc(OCC(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1588053101 AZRGYRLBAYGTFG-IBGZPJMESA-N 471.583 1.475 30 10 JDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1588069471 OQBYFUYCCVRFBJ-IBGZPJMESA-N 482.610 1.680 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1N1CCOCC1 1588174468 WRNRMEZASUIKPY-UHFFFAOYSA-N 470.537 1.668 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1589037390 YRRLHMYHTVKTLQ-UHFFFAOYSA-N 479.628 1.800 30 10 JDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(CCS(C)(=O)=O)C1CC1 1589381446 CFQPACSFHKWOGD-UHFFFAOYSA-N 472.365 1.928 30 10 JDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1595319478 RWLLGCRTZJNFGZ-AWEZNQCLSA-N 465.576 1.705 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1595405059 AIGNIXKCGWDJAE-OALUTQOASA-N 462.595 1.931 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1595467427 UADIURDHQSAYGD-UHFFFAOYSA-N 494.600 1.847 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1595594263 MJTIRENQMYTDLE-KRWDZBQOSA-N 457.466 1.568 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1595658444 DCQNRRIDRCXHMB-SFHVURJKSA-N 461.588 1.913 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCNS(=O)(=O)c2ccccc2)C1 1595720824 BXEGZHHLFQLRMN-RBUKOAKNSA-N 461.588 1.932 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1595778076 VTMCRGVTMFLIRF-UHFFFAOYSA-N 458.544 1.067 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(Cc2csc(C)n2)CC1 1595812064 LYDAEXKLDZBKLB-UHFFFAOYSA-N 487.655 1.952 30 10 JDEE N#Cc1cccc(NC(=S)N[C@@H]2CO[C@@H]3[C@H]2OC[C@H]3n2nnnc2Oc2ccc3c(c2)OCO3)c1 1616132302 WHCVFMXALYMAGZ-YKCBXCCJSA-N 493.505 1.760 30 10 JDEE CS(=O)(=O)c1cc(S(=O)(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1F 1654937514 DRSOGKJPOOPRDQ-KRWDZBQOSA-N 451.501 1.575 30 10 JDEE COc1ccc(CNC(C)=O)cc1S(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1662687187 GPYOPCYLWNSBHO-HOTGVXAUSA-N 452.533 1.369 30 10 JDEE C#CC[C@H](CCOC)NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 1672849600 UGSYKBIKNXIHBL-IAGOWNOFSA-N 451.545 1.810 30 10 JDEE CN(CCNC(=O)N1CCN(c2ccc(F)cc2C#N)CC1)S(=O)(=O)c1cccs1 1685786749 AJJHQUQPLLAXNS-UHFFFAOYSA-N 451.549 1.911 30 10 JDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1689922437 NCJCJGOEPOHHQG-UHFFFAOYSA-N 459.572 1.990 30 10 JDEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCn1cc(CO)nn1 1689955303 BIOBWCOSNMKTRU-UHFFFAOYSA-N 460.336 1.960 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1ccsc1)[C@H]1CCS(=O)(=O)C1 1689982923 XEFVHJIICUDGGO-RXVVDRJESA-N 464.613 1.861 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689984939 YQDVSYNHUPWHKN-YADHBBJMSA-N 471.627 1.929 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(C(=O)NCC)cc1)[C@H]1CCS(=O)(=O)C1 1689990870 STABDSRRNOMVTF-SFTDATJTSA-N 485.610 1.597 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1690101295 WIJKZUAYKKMJSA-RUZDIDTESA-N 480.569 1.957 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2CC2(O)CCOCC2)n1 1690109142 IEGABUFTOUBXQU-UHFFFAOYSA-N 450.543 1.969 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)c2ccsc2)CC1 1690154635 VJPBGZASAOGYAE-WXVUKLJWSA-N 487.626 1.937 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccco2)CC1 1690236248 KJEMOLVGERCQJH-LMMKCTJWSA-N 492.602 1.425 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1690672513 UZBWBRACNCEYSH-UHFFFAOYSA-N 496.584 1.700 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)NCC)CC1 1690721151 ZCSIFRGFDPSNFY-UHFFFAOYSA-N 483.598 1.946 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1690723199 LARKYMXJJQPFGV-MSOLQXFVSA-N 481.525 1.686 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1690725602 VVRPVFFALODXPU-LJQANCHMSA-N 496.655 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C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)cc1 1722396410 IBMZEQJRTNHNAM-OAQYLSRUSA-N 467.595 1.528 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1722447274 GZPMWTJJHSWNHI-OALUTQOASA-N 498.550 1.749 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)N(C)c2ccccc2)CC1 1722447861 OCIAXQQOENCACA-WIYYLYMNSA-N 463.586 1.720 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1722463212 YSVPDOUPFYDOBM-UHFFFAOYSA-N 458.632 1.996 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1722529661 YMZCTXHAUAXTTC-SFHVURJKSA-N 478.623 1.214 30 10 JDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1)c1ccccc1 1722538974 CDKDRSSTMYGVRV-IBGZPJMESA-N 474.631 1.903 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2sc(C)nc2C)C1 1722712106 ZMBNIENNYLFCMB-GOEBONIOSA-N 454.622 1.986 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(=O)N(C)C)C1 1722717765 DCFJVVBACJGRCP-ROUUACIJSA-N 478.594 1.846 30 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CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@@H]2C1 2281977084 KKNBIDKOMGTIHS-CVEARBPZSA-N 462.356 1.559 30 10 JDEE Cc1c(C(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281977590 RLTAPQDHCRMXHK-QFIPXVFZSA-N 464.372 1.129 30 10 JDEE CC1(C)OB(c2sccc2C(=O)N2C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)OC1(C)C 2282012779 AMYMTCGUTDXAII-MNOVXSKESA-N 475.298 1.042 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC[C@H]1CO 2282174936 SPCLJCQWKHPKFX-MAUKXSAKSA-N 461.368 1.729 30 10 JDEE Cn1[nH]c(CNC(=O)OC(C)(C)C)nc1=NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2282178964 QJRJPJXRMNVQMK-UHFFFAOYSA-N 458.328 1.208 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)n1 2282504815 VCLUKYRHHXZLHE-GOEBONIOSA-N 484.428 1.691 30 10 JDEE Cc1nc(S(=O)(=O)N[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1C 2282510081 UJGPNZZBYUEMGO-QKKBWIMNSA-N 482.412 1.315 30 10 JDEE CO[C@@H]1C[C@@H](CNC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)N(C(=O)OC(C)(C)C)C1 2282551299 CEMOABBKUQOZFO-LSDHHAIUSA-N 464.372 1.474 30 10 JDEE CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2282578736 VUWNMTMKZSQNPV-GJZGRUSLSA-N 464.372 1.474 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](C)[C@H](NC(=O)C(F)(F)F)C2)n1 2282588062 CUCOBLUAFFBBKU-TZMCWYRMSA-N 458.290 1.731 30 10 JDEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282710895 UQEWUYGTRWEMCW-JOCHJYFZSA-N 462.356 1.532 30 10 JDEE CN(Cc1ccccc1)[C@@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C1CC1 2282836318 IJUNRUIHAFSJLA-SFHVURJKSA-N 475.424 1.303 30 10 JDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282854999 YHZGJOJPHGEXMZ-ZBFHGGJFSA-N 484.428 1.643 30 10 JDEE COCCN1C(=O)C(=O)C(=C(O)c2cccc(S(=O)(=O)N(C)C)c2)[C@@]12C(=O)N(C)c1ccccc12 2296173525 FKRFRXGHUWPPQD-DEOSSOPVSA-N 499.545 1.136 30 10 JDEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3N=Cc3ccccc3C(=O)O)CC2=O)cc1 2325880580 LBUXAKKEYOYXSK-OAHLLOKOSA-N 494.533 1.965 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)n1 2359278155 ZOLRVYRGEUYKMX-FVQBIDKESA-N 464.372 1.113 30 10 JDEE NC(=O)CSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc([N+](=O)[O-])cc3)n2)s1 20831969 HKOHGNRQGALYRA-YAXRCOADSA-N 494.544 1.319 30 10 JDEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3nnc(C)s3)[nH]2)cc([N+](=O)[O-])c1O 20836347 HCWGRYBEQRDILF-FZSIALSZSA-N 465.477 1.764 30 10 JDEE COc1ccc(/C=N/NC2=NC(=O)[C@H](CC(=O)N[C@H](Cc3ccccc3)C(=O)O)S2)cc1 21658715 BDUAUQGXFWSEAR-WKVCWDCFSA-N 454.508 1.819 30 10 JDEE CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(CCO)CC2)SC1=S 33468043 AUFYKVMDLGEONY-AQTBWJFISA-N 475.640 1.774 30 10 JDEE C#CCN1C(=O)[C@@H]2[C@H](c3ccccc3C#N)N[C@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@@H]2C1=O 248027145 WIRDMAIOBLZBDQ-XHOYROJHSA-N 458.430 1.411 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1-c1ccccc1C 603990990 NPGYBNRMPCTGEP-UHFFFAOYSA-N 459.527 1.784 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c(=O)n1C[C@@H]1CCCO1 917354371 TZZGMKSGWXLISF-HNNXBMFYSA-N 474.926 1.456 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3cccc(Br)c3)CCCC2)CC1 1175514860 JLZBLXCDNSWGRK-UHFFFAOYSA-N 454.390 1.873 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](C)(O)C2CC2)c1 1286310158 XGRPAJZQMXSVBJ-QRQCRPRQSA-N 474.587 1.106 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1286322419 FAEBOODABGQNAQ-MHYDHLEJSA-N 451.593 1.012 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1286383833 ZWHOOAAQIQCLIZ-IRLDBZIGSA-N 498.653 1.661 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1286384447 QVFLNTGHLYESIA-IAQAZVPISA-N 492.623 1.500 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1286395220 LUJOJEOWBQAOPZ-QGZVFWFLSA-N 463.535 1.149 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cnc2ccccc21 1286430321 GXCRJUYSHKVMAV-QFIPXVFZSA-N 495.609 1.514 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(-n2cncn2)nc1 1286437535 IQMGNRYHADWEIW-UHFFFAOYSA-N 462.539 1.832 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(F)c1 1286447499 KWERAQVRJSOAGE-SFHVURJKSA-N 451.524 1.267 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)N2CCOCC2)CC1 1286489466 UHXMIPZIVDQELJ-IBGZPJMESA-N 496.612 1.649 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CCCC 1286726037 ABIWWLCITBACPO-RBUKOAKNSA-N 454.641 1.888 30 10 JDEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1286773342 DEJGDTYNFIJHEK-INIZCTEOSA-N 487.586 1.657 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1286818755 NJLNMVIXCUAKSV-AWEZNQCLSA-N 459.498 1.409 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1286823766 QPWNKGLWAIOUBD-IFMALSPDSA-N 489.642 1.923 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(C)C)CC1 1286824279 AGEBRAOZDBYSQL-OALUTQOASA-N 455.625 1.523 30 10 JDEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)NCC)CC1 1286827597 UTCKRWMSFDYPCN-UHFFFAOYSA-N 468.591 1.692 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1300408627 BSRIWXOOHYKSDM-NRFANRHFSA-N 483.598 1.223 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1300483874 ORCNNQHXPONFIE-IBGZPJMESA-N 460.560 1.820 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1300496300 POPLZWHAPGWXGB-IEBWSBKVSA-N 480.587 1.189 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCOC[C@@H]1C 1300657235 HZYXSDSRLVSTMI-ICSRJNTNSA-N 475.615 1.954 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC(=O)NC(C)C)CC1 1300716162 JSKIJCPVKHSZBP-XMMPIXPASA-N 474.606 1.199 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCNC(=O)[C@@H](C)CCC)CC1 1300722367 JHTFAOYOMRCMIQ-KRWDZBQOSA-N 497.600 1.524 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H](C2CCC2)C1 1301222994 KVYFVVSKRQHGQF-RTBURBONSA-N 453.609 1.830 30 10 JDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1301439622 HRDJIKFDZABKDQ-RDPSFJRHSA-N 454.575 1.763 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C)C1 1301497392 VGCSPBWNNPVCJQ-MRXNPFEDSA-N 451.531 1.763 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1301611755 HCVZZNZFIFOPBS-DLBZAZTESA-N 455.650 1.842 30 10 JDEE CC(C)(C)[C@@H]1OCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1302118575 CPZPYKFEWDGTJK-WYADAEROSA-N 498.625 1.894 30 10 JDEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)C1 1303950594 IDCWJDRVVKFVKW-QHCPKHFHSA-N 451.531 1.489 30 10 JDEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1)S(C)(=O)=O 1313798712 BYBXXXDYUHWBRF-UHFFFAOYSA-N 488.614 1.874 30 10 JDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2ccnn2)CC1 1314529477 GHVBRHZYONPAGR-UHFFFAOYSA-N 454.560 1.760 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCCCN2CCOCC2)c1 1358902328 KSFJPUPQVQXYGR-UHFFFAOYSA-N 474.569 1.904 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCOC2)c1 1358903286 QVRNESGLEMEGLD-IBGZPJMESA-N 450.543 1.883 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(N2CCOCC2)CC1 1358941662 SCGZWCIDMVNMAB-UHFFFAOYSA-N 458.588 1.130 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1Br 1358969426 OXTODIZXWOFODF-AWEZNQCLSA-N 450.362 1.772 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N1CCOCC1 1358969514 QOEUKNAKFLMUAB-QZTJIDSGSA-N 476.628 1.096 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCS(=O)(=O)NC)CC1 1359029708 FTXZYEPQMOSVFO-IBGZPJMESA-N 460.604 1.339 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1359041569 BALFKLWABUSSSR-OWHZGTRUSA-N 473.618 1.957 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1OC 1359056780 LGCYGQAVQNEUKY-LJQANCHMSA-N 479.628 1.622 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@H](N1CCOCC1)C(F)(F)F 1359073463 QQQUTZIHIJVBPU-OXJNMPFZSA-N 454.497 1.656 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1359240867 ZBSQOKACFWSXRH-ICSRJNTNSA-N 494.618 1.208 30 10 JDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1359283467 RXDKLUDLFKPLRK-CQSZACIVSA-N 452.968 1.577 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359293561 TYPORWZIIPGKIS-QUCCMNQESA-N 499.591 1.602 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1359302286 BIZZOQKGBODHNU-UHFFFAOYSA-N 463.571 1.529 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc3n(n2)CCN(C(=O)OC(C)(C)C)C3)c1 1456442187 MRYBPGBXXLOSMX-UHFFFAOYSA-N 459.528 1.798 30 10 JDEE CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)OC 1497171613 DYSIQNWGPOEVKZ-IPELMVKDSA-N 462.576 1.763 30 10 JDEE CCc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCCN(C(C)=O)CC2)no1 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1507736214 HXHSUFXRKTXLFU-UHFFFAOYSA-N 471.363 1.898 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1507737823 GBISGHMESMZPOV-PMACEKPBSA-N 457.623 1.561 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H](CC)OC)CC1 1507738271 KVHJNPJHMCWYMM-SFHVURJKSA-N 477.569 1.583 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC)CC1 1507740078 WVBGCAOAQLZXHZ-SFHVURJKSA-N 460.579 1.962 30 10 JDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1507747266 BUPBBDJLLIYLJF-UHFFFAOYSA-N 465.587 1.592 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)CN(C)C1=O 1508006734 VEJFALZYBOCNPV-LIRRHRJNSA-N 452.606 1.621 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(C)=C(Br)C1 1508144222 SBHAYDDKUJSLSV-UHFFFAOYSA-N 472.409 1.880 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN([C@H](C)C(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1508148945 LQRFLDKXGZUUCM-VQIMIIECSA-N 495.568 1.604 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Oc2ccccn2)C1 1508164040 XZKHOJVZPHPLBD-ZWKOTPCHSA-N 494.643 1.583 30 10 JDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1508430265 COCDNOQWHFUYGN-NUJGCVRESA-N 479.628 1.899 30 10 JDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1517035112 CTDULNPOJDKOJS-AWEZNQCLSA-N 456.450 1.119 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CC1CCN(CCN(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1539224171 CWQGVVXERDBUQG-NRFANRHFSA-N 462.664 1.131 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCS(=O)(=O)N(C)C)CC1 1539476545 AZTBZKKHXFDNCH-UHFFFAOYSA-N 483.598 1.284 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1539526348 NFIHQMUJPLGAHO-HNNXBMFYSA-N 459.601 1.192 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COC)C1 1539633204 XEKUTOVTICDFMP-NMLBUPMWSA-N 483.635 1.455 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1COC(C)(C)OC1 1539750821 CYLCVKXNZXJOEJ-GOSISDBHSA-N 487.623 1.039 30 10 JDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCCOc1ccc(S(C)(=O)=O)cc1 1540858426 WKMIIPAXLUCJCB-INIZCTEOSA-N 468.601 1.675 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1540868628 MAASZDJYJOUHLA-UHFFFAOYSA-N 454.556 1.991 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC(=O)N[C@H]3C2)cc1 1540877232 OGWKVSONNUPSNI-IEZWGBDMSA-N 474.587 1.216 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@@H](CN2CCOCC2)C1 1540901307 ZOOZGLBNXMQTGQ-IBGZPJMESA-N 475.615 1.713 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(Cc3nc(C4(OC)CCCC4)no3)CC2)C1=O 1557610185 KEDMEFARHRIEHS-UHFFFAOYSA-N 459.503 1.243 30 10 JDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1587719204 VPQQABSAJJUJGT-GOSISDBHSA-N 450.586 1.775 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1588029462 IGEVTGDCWXYULQ-ZWKOTPCHSA-N 472.571 1.511 30 10 JDEE C#CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC=C)[C@@H]1CCS(=O)(=O)C1 1588034871 MUCFKDXRQOBHKB-MRXNPFEDSA-N 462.601 1.359 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1588050304 QXPNDTUZGZSVJL-IRXDYDNUSA-N 484.582 1.101 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@@H](OC)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1588074653 PJYSHZWQOROVJH-RTBURBONSA-N 450.536 1.968 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCO[C@H]1C 1588550134 IWMWUBXKHMRJCK-CECAUBDESA-N 462.547 1.499 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](CC)OC)CC1 1588899742 VRMZKNYUFREUJF-LJQANCHMSA-N 473.599 1.739 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1594015236 ZEPMJKAYAKNJQI-OAHLLOKOSA-N 470.596 1.338 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)c2cccs2)CC1 1594096816 ISEMTSDXYVGWII-JXFKEZNVSA-N 467.617 1.737 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1595796623 ARYZIRPJHUIZLL-KRWDZBQOSA-N 479.578 1.857 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCC2)CC1 1610130093 HOYHBACDAXPDCI-UHFFFAOYSA-N 450.591 1.559 30 10 JDEE CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1)S(C)(=O)=O 1617787124 HLEVWYPYGRXEEO-KRWDZBQOSA-N 492.627 1.112 30 10 JDEE COCCN(C)CCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1619874701 CGIOGLQEMXRRCN-OAQYLSRUSA-N 453.591 1.949 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1619899636 DEQNDOFHAWODHG-FQEVSTJZSA-N 496.597 1.541 30 10 JDEE C[C@@H](CC(=O)NC1CN(C(=O)OCc2ccccc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1629737833 AVWWTBRKBGYLAY-HNNXBMFYSA-N 456.524 1.641 30 10 JDEE C#CCn1ccc(CN(CC)C(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)n1 1634609975 ZREKLZMHKUMQOZ-UHFFFAOYSA-N 450.586 1.633 30 10 JDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)cc1 1648973479 HALTWPPHQMTUNV-UHFFFAOYSA-N 456.524 1.754 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1S(C)(=O)=O 1689852938 MVOXVRKBZCULPW-KURKYZTESA-N 496.634 1.468 30 10 JDEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1689881130 HBUKNDYAKUFMPD-OAHLLOKOSA-N 489.349 1.797 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689996842 PUMLGUMDUUZVCD-FUHWJXTLSA-N 493.655 1.957 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCC1(C)C 1690104382 VHFWYYRXIGCFMX-QZTJIDSGSA-N 453.609 1.523 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(OCCCOC)c2)CC1 1690124813 VBQVNOVNRDYOLY-NRFANRHFSA-N 487.626 1.399 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2Cc2ccc(C(N)=O)nc2)CC1 1690150898 ZWDIJTBLNKJCGK-UHFFFAOYSA-N 485.592 1.961 30 10 JDEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(S(C)(=O)=O)CC1 1690159605 GQPQQRYLMWKEAS-UHFFFAOYSA-N 473.422 1.484 30 10 JDEE C#CCSCCn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OCC)CCOC1 1690186413 PKJGDRSBKKOXDU-VGSWGCGISA-N 476.603 1.063 30 10 JDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1690375202 CUQLCYRGXZVHOP-RBUKOAKNSA-N 464.636 1.279 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1690485011 JDXQHVRNBGMKBM-LJQANCHMSA-N 482.651 1.660 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCCC1 1690596836 BLVNKRCNSLJYEA-SFHVURJKSA-N 453.609 1.875 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1690659116 KERQIBWHINDELB-QGZVFWFLSA-N 478.500 1.898 30 10 JDEE CC(C)(C)[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1691325946 HYGDAIQJSZSFHM-PMERELPUSA-N 465.601 1.511 30 10 JDEE COc1ccncc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1697632482 FCILCBYZYZCPFE-NRFANRHFSA-N 497.581 1.571 30 10 JDEE COC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)OC 1697761639 BIJMEXLCZAGFBF-WMZOPIPTSA-N 457.510 1.228 30 10 JDEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705537000 QAXAKBUZVAUGAY-UHFFFAOYSA-N 464.570 1.413 30 10 JDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1705562297 ZZWQSVQHKKYXJP-PMACEKPBSA-N 453.572 1.738 30 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JDEE C=CCNC(=O)Cn1c(N2CCC(CC(=O)NC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705908310 NIPOPIGSCANUGM-HDICACEKSA-N 489.621 1.704 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ccc(C)cc3)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1705909539 ZUUJCSIXQNDVBX-XMMPIXPASA-N 468.558 1.394 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1705928790 USVNJOWQGBNEFD-OAQYLSRUSA-N 486.642 1.826 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(F)cn2)CC1 1706650446 ATCYEJCXBDSLGK-UHFFFAOYSA-N 492.559 1.958 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCc1ccc(F)cc1 1706886798 DBZVBMPPSRAOCV-KRWDZBQOSA-N 498.588 1.863 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1c(CC)nn(C)c1OC)[C@H]1CCS(=O)(=O)C1 1722364132 XWOLRIFSVZMFNW-IBGZPJMESA-N 493.593 1.796 30 10 JDEE C#CCN(c1nnc(COCC)n1CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722370087 LQAHLGRGVFJEAX-KRWDZBQOSA-N 469.608 1.698 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC(OC)CC1 1722397538 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COc1ccc(-n2c(=C(C#N)C(=O)NC3CCCC3)sc(=Cc3cnn4ccccc34)c2=O)cn1 729672576 VRGFFSYTUVRDOU-UHFFFAOYSA-N 486.557 1.512 30 10 JDEE Cn1c(=O)c2c(nc(Sc3n[nH]c(NN=Cc4ccc(Br)cc4)n3)n2C)n(C)c1=O 1084037056 RACCRBMPQLHBCK-UHFFFAOYSA-N 490.347 1.449 30 10 JDEE CCN(C[C@H](C)C#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1141767539 CAFQLYRGDZACSX-QGZVFWFLSA-N 450.561 1.316 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1286397740 UJWVYAHTRRFFBI-HNNXBMFYSA-N 465.601 1.321 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1286397941 DUJBKVNKMZJNEZ-JRBPQWBISA-N 491.658 1.738 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)N1CCSCC1 1286402926 ZIANGOZHIUOHLT-UHFFFAOYSA-N 474.568 1.305 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)N(C)C 1286454620 LYIIPXSIVFWESH-HNNXBMFYSA-N 450.540 1.146 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1286485738 WSHREGXGNFEBRZ-OAQYLSRUSA-N 483.592 1.824 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)CCOC)CC1 1286489294 NHWUGEDJXAUCRT-DEOSSOPVSA-N 450.543 1.570 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC2CCS(=O)(=O)CC2)CC1 1286491035 BOHPSKONHGZNDJ-UHFFFAOYSA-N 499.637 1.668 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCC[C@@H]1C 1286522142 HVBUJVLEBWCAOO-ZCLUNYJNSA-N 451.593 1.154 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N(C)C)CC1 1286562566 LDGDCSKSVPNSEN-MPJJRAAHSA-N 476.622 1.194 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286564331 GCGUXLFRGHVXTP-ICSRJNTNSA-N 460.579 1.067 30 10 JDEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1286665000 OFSRGUNPQPRCDX-UHFFFAOYSA-N 476.585 1.806 30 10 JDEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCN1CCN(C(C)=O)CC1 1286717906 PLCZWPNRMIDDMK-UHFFFAOYSA-N 450.385 1.832 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C 1286750663 FKDGAPDCEXUVHA-PMACEKPBSA-N 453.595 1.591 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1c(O)nc2ccccc21 1286758963 XKHROGKKZPQWGO-LJQANCHMSA-N 487.586 1.545 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCOC1 1286798360 HAYOCMXMJAXLSK-ICSRJNTNSA-N 477.587 1.449 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1286815673 YQINPAVKZVSDJK-UXHICEINSA-N 462.572 1.939 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC=C(C)C1 1286818296 GAIWBFNJMCMKGJ-UHFFFAOYSA-N 464.617 1.995 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1286824061 UTZXQTLHJBMBCE-HNNXBMFYSA-N 467.979 1.778 30 10 JDEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)c1=O 1295938384 CHGDCFWSVDUJMD-LJQANCHMSA-N 452.540 1.670 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)CN1CCN(CC)CC1 1300287016 RYPVWPIHBHLUPD-VQTJNVASSA-N 462.606 1.652 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)Cc1ccc(F)cc1 1300309538 HSHYDIGPPMYKOD-YLJYHZDGSA-N 478.594 1.340 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1300479058 HLNCLOUZZLHXPB-IRXDYDNUSA-N 474.612 1.695 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 1300481980 CZVUTYLEMRANLV-GCJKJVERSA-N 480.537 1.883 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1300497515 ZNLCZZYDQHHPLC-CEWLAPEOSA-N 490.651 1.919 30 10 JDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1300706550 PSTITHMRCXWAQX-UHFFFAOYSA-N 471.627 1.148 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1300732332 AOEGMGFNEPPGKS-KXBFYZLASA-N 457.622 1.029 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)CC1 1300869578 MTWRWPXGNMATSW-GHTZIAJQSA-N 488.614 1.503 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1300888729 LPFXWUBDWKMXLC-JGLNRKDHSA-N 495.646 1.948 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1301043959 FTDHMZXRNPLHAW-QGZVFWFLSA-N 482.994 1.360 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1301568135 OVMIWBZVHXWTAP-SFHVURJKSA-N 484.586 1.873 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](COC)C1 1301577266 GVNLFOAWUZZFOI-MRXNPFEDSA-N 450.517 1.126 30 10 JDEE C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301617329 CXXXKNQKGBLJIK-KRWDZBQOSA-N 456.572 1.232 30 10 JDEE C=CCCC(C)(C)CNC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1306884802 GGNSKWGHXLMMAM-UHFFFAOYSA-N 457.618 1.843 30 10 JDEE CCN(CCC1CC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1313795995 CQGLMPOUULPHSI-JOCHJYFZSA-N 459.572 1.905 30 10 JDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1Cc1ncnn1C(C)(C)C 1314873640 GWKOWEPADSJENF-UHFFFAOYSA-N 457.564 1.197 30 10 JDEE COc1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)c1OC 1315580461 AWIVGUORLFDJJR-UWJYYQICSA-N 494.549 1.118 30 10 JDEE CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 1352914730 CRGRLWUHOCOLIS-LJQANCHMSA-N 455.536 1.891 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1358890948 XQWXZSHYBSLYCU-BZSNNMDCSA-N 496.634 1.468 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1358959078 BBXPNBQKFOOFLR-INIZCTEOSA-N 471.539 1.934 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1nccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1358964460 ZJWOGNUIMMFBES-CVEARBPZSA-N 498.531 1.850 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(OC)CCC(C)CC2)CC1 1359045405 GDFJJHQBLLNHRD-RKRRMPDFSA-N 491.658 1.741 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1359049560 RVKVHOMUBFHHFP-QFBILLFUSA-N 474.612 1.704 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCOCC1 1359281689 HCCNJWIDEIHNBP-KRWDZBQOSA-N 457.597 1.067 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(Cc2cc(C)no2)CC1 1359294282 PLIFXZLKENPWTL-UHFFFAOYSA-N 466.502 1.774 30 10 JDEE CC(=O)Nc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)cc1 1359406434 DWMXSHIGQZUWFV-HXUWFJFHSA-N 487.586 1.358 30 10 JDEE N#Cc1cccc(C2(NC(=O)NCCS(=O)(=O)N3CCN(c4ccccn4)CC3)CC2)c1 1467645511 BMBYXINFQCSZOV-UHFFFAOYSA-N 454.556 1.394 30 10 JDEE N#Cc1cccc([C@@H]2CN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CCO2)c1 1473347455 GCPRVYPCZQLFDG-QFIPXVFZSA-N 454.552 1.465 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCCS(C)(=O)=O)c1 1507549961 RHSMHVDYNWOXNR-UHFFFAOYSA-N 454.556 1.775 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1507623034 OGCPPDXJXFXDSW-FGTMMUONSA-N 472.571 1.103 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507623143 SBHGKLKBOGSJRY-XMTFNYHQSA-N 451.593 1.247 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 1507630529 BIRKQEAIFXYFEE-ZDUSSCGKSA-N 485.517 1.829 30 10 JDEE C#CCN(c1nnc(C2CC2)n1Cc1ccccc1S(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507631946 VTPYKPIKHPYTBH-GOSISDBHSA-N 477.612 1.081 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1507632442 LJXPWSUAGHYNQX-MOPGFXCFSA-N 492.623 1.055 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1507638395 FAZBYGDRFFXWIT-KRWDZBQOSA-N 487.611 1.101 30 10 JDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCn1cc(Br)cn1 1507653220 PMJIYMVQEPTVEE-UHFFFAOYSA-N 456.304 1.738 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2C[C@H](F)CN2Cc2cccs2)CC1 1507716223 OPOBFAABIBSTEA-OALUTQOASA-N 473.622 1.846 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1507738864 GKPKBGFIHQXTMS-MJGOQNOKSA-N 463.604 1.310 30 10 JDEE C=C(Cl)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1507863121 CKITVZQKDBFTNG-UHFFFAOYSA-N 456.938 1.557 30 10 JDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCNC2=O)CC1 1507926027 NZGBECMZDJCYRQ-MRXNPFEDSA-N 453.613 1.629 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccc(F)cc1 1508039608 OTYMUXHNDWQLBO-IIBYNOLFSA-N 452.552 1.866 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1508136313 RGROURXFPCINFG-KRWDZBQOSA-N 461.979 1.771 30 10 JDEE CC(C)(C)NC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1508622180 GOFSURJJNGWVNF-GOSISDBHSA-N 485.614 1.882 30 10 JDEE CCN1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1515864699 DIGNIMVGGCVXHF-QFIPXVFZSA-N 464.618 1.901 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc2c(s1)CCCC2 1539013003 HOEXHOCALXTPMU-WBVHZDCISA-N 478.644 1.647 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1539212502 PIUMOFXENGJGAF-HXUWFJFHSA-N 462.535 1.895 30 10 JDEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@H](C)N(C)C)CC1 1539431307 SUMCZXPOTVYNKC-QGZVFWFLSA-N 458.636 1.252 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1539461725 JLMXWBOMPPFDIM-OAQYLSRUSA-N 486.642 1.653 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539611780 DYIDFOMINUNKQR-ICSRJNTNSA-N 461.611 1.044 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1540862046 PMJKBAIANGTKBI-CVEARBPZSA-N 461.567 1.166 30 10 JDEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCN(S(C)(=O)=O)CC2)cc1 1540877980 KPLVBBKGOSNXJB-UHFFFAOYSA-N 456.572 1.978 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1540901110 STHMACSNAORHKA-INIZCTEOSA-N 462.551 1.725 30 10 JDEE C=CCSCCn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1540922596 SLNVSNJZSHANIN-HSZRJFAPSA-N 492.646 1.120 30 10 JDEE COc1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)c(OC)c1OC 1554907331 FNHOKIKKKZDZKP-AOMKIAJQSA-N 493.561 1.891 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)C1=O 1569823090 ZLGVAPLRRXBCKS-UHFFFAOYSA-N 458.471 1.731 30 10 JDEE C=C(C)[C@@H](CC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1)OCC 1587742301 BQJNGNCZTULVFT-LJQANCHMSA-N 452.577 1.122 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccc(Cl)cc1 1587990402 WKHZAFIMPNWVHK-MSOLQXFVSA-N 467.979 1.722 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1588053311 CINJEGHSPYCZAN-MSOLQXFVSA-N 495.646 1.790 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588074078 IHTXZJCNGARCHL-KJJMTIBFSA-N 493.674 1.893 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N[C@H](C)c1ccccc1 1588139084 LIYVETJKNFBYAF-IRLDBZIGSA-N 498.653 1.813 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](c2ccco2)N(C)C)CC1 1588752437 SMJXJRTYRSCFEK-RDPSFJRHSA-N 456.591 1.970 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](C)N2CCN(CC)CC2)CC1 1588800565 KMSWQNZNFRITQI-NRFANRHFSA-N 451.619 1.735 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCOC2CCCC2)CC1 1588962093 TVYSOQZVNZWROE-UHFFFAOYSA-N 456.591 1.716 30 10 JDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2nc([C@H](C)OCC)no2)CC1 1593799671 AHKSSYZFEJKWRJ-HNNXBMFYSA-N 466.974 1.972 30 10 JDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCN(C(C)=O)CC1 1594839136 CXQZMHILVMFBEB-UHFFFAOYSA-N 459.982 1.648 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1595530198 WJWZCSNJTWXMQM-UHFFFAOYSA-N 450.547 1.981 30 10 JDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC(OCC(N)=O)CC1 1595649772 UVMRFXQTLBLTKU-UHFFFAOYSA-N 451.531 1.762 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOCC1 1595659355 WMDNWBPGGGCBIU-HXUWFJFHSA-N 475.615 1.562 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1595797442 GNYGBNWVNUBRAA-LJQANCHMSA-N 471.587 1.714 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3cccc4nc(O)[nH]c34)CC2)ccc1F 1597084596 VXHUIGIZWIZIJI-UHFFFAOYSA-N 459.503 1.834 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCOc1ncccc1F 1611696397 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SBUQAMPVBLZINS-SFHVURJKSA-N 474.583 1.894 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1689993766 KWNKHZYUUPVUTQ-SFTDATJTSA-N 456.616 1.623 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCOC[C@H]2C)CC1 1690137378 WVEXWAQCIRJQTP-IEBWSBKVSA-N 465.558 1.564 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@](C)(O)CCC)CC1 1690146489 OYZZYKLWOBOPPU-AREMUKBSSA-N 494.644 1.969 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCCC2(C)C)CC1 1690150249 AJLLCGZHTRZMJQ-XMMPIXPASA-N 456.591 1.308 30 10 JDEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1690508200 CXUXBMPEGICKMS-QZTJIDSGSA-N 491.593 1.393 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](COC)C1 1690661785 HGCBXEJIXBVPJY-KRWDZBQOSA-N 475.619 1.712 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cccc(F)c1 1690672651 ZBBDSTLOBRHMFY-MOPGFXCFSA-N 492.577 1.394 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(NS(C)(=O)=O)CC2)cc1 1690678379 UQFFMQFAMAVJGX-UHFFFAOYSA-N 476.603 1.547 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(CS(C)(=O)=O)c2)C1 1690684920 RMOQKBIELWWJTK-IBGZPJMESA-N 461.588 1.791 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[C@]3(CCOC3)O2)C1 1690685801 DLCNEIRSOWYIIH-TWFHAPMSSA-N 469.608 1.398 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCN(C(C)=O)CC1 1690720394 HNWZYUIPKPMFAH-UHFFFAOYSA-N 482.404 1.977 30 10 JDEE CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1694287067 CFOGUESXZRHBLX-CNNODRBYSA-N 482.626 1.759 30 10 JDEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CCOC1 1696020999 ADRCFDZNLGVPOE-QHCPKHFHSA-N 464.530 1.591 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC1 1696689054 DKYGGVZIGBDPPZ-OALUTQOASA-N 460.560 1.156 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC=C 1705496121 ZYEABVRHMDYVMR-IAGOWNOFSA-N 467.592 1.645 30 10 JDEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1705567771 ZJPXSDIOIULUPE-IBGZPJMESA-N 489.671 1.832 30 10 JDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCNS(=O)(=O)c1ccc(C)s1 1705617116 NLTSNNYJSRHCIW-UHFFFAOYSA-N 450.590 1.208 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1705626945 OLIWUYAWIXWMHH-IBGZPJMESA-N 477.569 1.676 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCOC[C@H]2C)n1 1705631929 SNAPHFMUHKPGCS-GGPKGHCWSA-N 455.563 1.385 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(=O)NCCC)CC1 1705645749 DDPKOJDMJMPHTF-UHFFFAOYSA-N 468.558 1.454 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1705651066 IJBHJZRVBOOOFQ-OAQYLSRUSA-N 480.617 1.364 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1705896229 GBLVMHIIMWUICC-KRWDZBQOSA-N 469.546 1.845 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705898375 JSIIULGRTOWKJR-FQEVSTJZSA-N 497.556 1.031 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CCOCC)CC1 1705904530 RDACTRXAUAZYJH-HXUWFJFHSA-N 456.547 1.251 30 10 JDEE Cc1nc2ccccc2n1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1707774132 HSNZWKNCUMKDTG-VLIAUNLRSA-N 460.539 1.689 30 10 JDEE C[C@@H]1CCCCN1C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1708054139 FRRONONRPGWWHF-LJQANCHMSA-N 499.641 1.384 30 10 JDEE CNC(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@](C)(C#N)C1 1711395528 CZKVYCLLDGEGFE-NRFANRHFSA-N 459.576 1.462 30 10 JDEE N#C[C@]1(F)CCN(c2nnc(COc3ccccc3F)n2CC2(O)CCS(=O)(=O)CC2)C1 1712877171 CPAFHKXPMYADOJ-LJQANCHMSA-N 467.498 1.378 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCCc2cnn(C)c2)c1 1722307000 XZQQMASFQHTWFM-UHFFFAOYSA-N 462.558 1.839 30 10 JDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722320329 WICJQFSIWMFHTM-LJQANCHMSA-N 457.604 1.879 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1722358682 KPRVNKSKDWQXCF-IAGOWNOFSA-N 453.634 1.719 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1722361938 KSAGCNPABQVYER-YCRPNKLZSA-N 461.975 1.704 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1722421209 ODLCMXIESLWKFB-KRWDZBQOSA-N 480.612 1.259 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(F)cc(F)c1 1722426477 IZNXUGSCHSBTEC-IBGZPJMESA-N 483.541 1.218 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(C)=O)cc1)C1CC1 1722650645 HLRRGGVRMDKOHI-HXUWFJFHSA-N 474.587 1.773 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(C)(C)CN1CCOCC1 1722694825 JSKRUCYRGIGSIH-UHFFFAOYSA-N 451.575 1.914 30 10 JDEE CCN1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1728574323 BPNDCSLFYFIZGD-HXUWFJFHSA-N 457.604 1.819 30 10 JDEE CCO[C@]1(c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCC(=O)N[C@H](C)CC)CCOC1 1728814002 BATAYKRYIAVDAW-KBMIEXCESA-N 496.616 1.828 30 10 JDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCS(C)(=O)=O 1740658325 KCXDHBKRISJEBC-UHFFFAOYSA-N 468.627 1.150 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N(C)C)nc1 1740680493 DKYQHMUTSWHIRC-UHFFFAOYSA-N 468.583 1.944 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1740688509 WDKXKUQDCUDGSQ-OAQYLSRUSA-N 453.591 1.801 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1740693326 XDQVEBBUJKYRNI-SFHVURJKSA-N 456.978 1.849 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC(=O)N2CCCCCC2)CC1 1740693330 XEGGRLVGQMUQPO-XMMPIXPASA-N 458.607 1.478 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](OC)c2ccccc2)CC1 1740700937 OACDOXJQHRFICP-HXUWFJFHSA-N 452.559 1.770 30 10 JDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740713737 LJAZDAMRWSMDPY-INIZCTEOSA-N 463.585 1.558 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@@H]1C 1740887170 DOMJGRMVHXUNPP-IRXDYDNUSA-N 457.597 1.207 30 10 JDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOCC2)nc1 1740937368 XWCCTEJSOUKSGY-UHFFFAOYSA-N 455.563 1.433 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1740992790 UADMEAJVDMQBBG-IRFCIJBXSA-N 491.662 1.636 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@@H](C)N3CCOCC3)CC2)c1C#N 1742668829 FYFBSLKRIQMFPE-GOSISDBHSA-N 455.611 1.438 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(O)CCC1 1744086039 AEKDMDYZYMSOOW-UHFFFAOYSA-N 452.563 1.705 30 10 JDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1748759743 OAHDLORXABOIMM-UHFFFAOYSA-N 452.607 1.688 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1748824275 MSHBIMBYJGITIB-SFTDATJTSA-N 487.626 1.513 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1748826547 VEMYUVZDYSNIQE-MSOLQXFVSA-N 478.619 1.608 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCNS(=O)(=O)CC)CC1 1749009280 OANQNMHKKCHQQI-UHFFFAOYSA-N 483.598 1.332 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1749194260 ZBKULTNOZIVUQU-APWZRJJASA-N 463.560 1.463 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)C)C1 1749230514 YKVLSUUWHBFHFH-QZTJIDSGSA-N 457.597 1.065 30 10 JDEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)CC1)c1ccccc1 1749382293 LJGNFNAKDMVCAI-AEFFLSMTSA-N 451.618 1.817 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCCC2)C1 1749458315 YWXSLSCVKFIOMB-SFHVURJKSA-N 453.609 1.974 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nncn1C 1749546618 CMDJKSFDTSYTGW-SFHVURJKSA-N 490.565 1.120 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749652719 RNTQKYVZJIBBOQ-RDJZCZTQSA-N 471.537 1.900 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1749658055 KTNSCOAJERDIIR-WMZOPIPTSA-N 459.982 1.843 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1749680605 MXKGBEICLXKAQE-HSZRJFAPSA-N 470.530 1.589 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC[S@](=O)CC)C1 1749707403 WAXDEJKTVUDCIL-MWOWJKGTSA-N 456.572 1.742 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCN(CCC)C2)C1 1749712651 KFWUMDPNYCCGPP-ZCNNSNEGSA-N 482.651 1.124 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C)C(=O)C1 1749724682 LJXRQQJPYAZFBS-OAHLLOKOSA-N 467.979 1.951 30 10 JDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1749932037 APVXZULGNHNCCI-ICSRJNTNSA-N 456.572 1.746 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1760182084 BPPHTLNIBOVIGQ-KRWDZBQOSA-N 453.553 1.652 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCc2nccn2C1)[C@@H]1CCS(=O)(=O)C1 1760184853 ZNRGFDVSXNLSNN-IEBWSBKVSA-N 487.630 1.282 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760186264 LNFWMJBYIKUASW-MOPGFXCFSA-N 484.644 1.014 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1760249599 OXYMRVDSWYWZQL-IBGZPJMESA-N 461.588 1.557 30 10 JDEE C=C(Br)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760306104 BVGWNOUEBKKEIE-GOSISDBHSA-N 491.390 1.909 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(NS(=O)(=O)CC)CC2)nnc1[C@]1(OCC)CCOC1 1760328055 PWEHYYJWGDCULB-RFWXGWTQSA-N 497.662 1.820 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1760522565 WOKDGQQWPTWKDB-LJQANCHMSA-N 454.531 1.543 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN(C(=O)OC)CC1 1760527904 LXHRPJUBQJYXAA-UHFFFAOYSA-N 460.560 1.770 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc(O)cc1 1760549179 YAJZUSVMGZRAHJ-QAPCUYQASA-N 483.616 1.536 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1760565913 HJYYXOZJTGAQNP-IAGOWNOFSA-N 493.659 1.497 30 10 JDEE CN(C)C(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1768453201 BMEPVQCYBYJRCZ-SFHVURJKSA-N 460.498 1.463 30 10 JDEE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CC(=O)O)C2=O)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867650349 WKHYDDAOPBEYTO-PMACEKPBSA-N 476.489 1.955 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CC)c(CN3CC(O)C3)cc2=O)nc1C 1870323579 XXCOYFVQAXVXOM-UHFFFAOYSA-N 462.528 1.170 30 10 JDEE O=C(C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)NCC#CCN1CCOCC1 1889795533 KLFKCEYKZQGTBK-SFHVURJKSA-N 464.551 1.071 30 10 JDEE CC1(C)OB(c2cnc(CNS(=O)(=O)N3CC(OCc4ccccc4)C3)s2)OC1(C)C 2043686790 OAZVYLWNMMBXRQ-UHFFFAOYSA-N 465.406 1.678 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)n1 2267182126 BOQUKAJXKFOPST-GOSISDBHSA-N 484.362 1.487 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CO1 2268651416 BABLTTSMRVJPHU-KBPBESRZSA-N 467.397 1.988 30 10 JDEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2269838677 MJOFMPNQJDKSJU-AWEZNQCLSA-N 452.361 1.067 30 10 JDEE C[C@@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2281986308 RPINSZJSGDAHRU-CQSZACIVSA-N 464.372 1.589 30 10 JDEE CC1(C)OB(c2cc(C(=O)N3CC[C@]4(CN(Cc5ccccc5)CCO4)C3)[nH]n2)OC1(C)C 2281988690 PSDPDRWRYUTJGK-DEOSSOPVSA-N 452.364 1.826 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCOC[C@H]1NC(=O)OCc1ccccc1 2282006183 UDFKULNTPFGNSH-RTBURBONSA-N 498.389 1.841 30 10 JDEE CC(C)(C)OC(=O)NCC1(O)CN(S(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282490830 JHPLUTWGFRCJLQ-UHFFFAOYSA-N 482.408 1.387 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@H](NC(=O)OC(C)(C)C)CC2(C)C)n1 2282840339 GDEFPRYQTUOUDY-CQSZACIVSA-N 484.428 1.786 30 10 JDEE C=C(CS(=O)(=O)NC[C@@H]1[C@H](OC)[C@@H](OC)CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2282877903 YMCIAQLVVDYYPO-IKGGRYGDSA-N 490.428 1.743 30 10 JDEE C[C@@H](OCc1ccccc1)[C@@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284418286 WOBRMHKPAWJIPW-RHSMWYFYSA-N 479.364 1.056 30 10 JDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)CC1=O 2327829854 MWNGTCQKDXZBKP-LBPRGKRZSA-N 461.504 1.466 30 10 JDEE CCOc1cc(C=Nn2c(CCOC)nnc2SCC(N)=O)cc(Br)c1O 2331273701 NJTLWTNTKWEHNX-UHFFFAOYSA-N 458.338 1.793 30 10 JDEE Nc1nc(=O)c2cc(C[C@@H](C=O)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)ccc2[nH]1 3644422 QUTYGDYGQXUSRV-YJBOKZPZSA-N 466.450 1.078 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)NC[C@H]3COc4ccccc4O3)cc2C1=O 22067405 GFUNMARHEPXSEW-HOCLYGCPSA-N 450.447 1.970 30 10 JDEE C=CCNC(=O)CN1CCN(Cc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CCC)CC1 27559636 NXQDRAFMLZXABI-UHFFFAOYSA-N 462.620 1.116 30 10 JDEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)n2N)cn1 59914108 HRTFSXCTFJSFKP-ZVBGSRNCSA-N 475.535 1.029 30 10 JDEE COc1cc(OC)c([C@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1OC 72444245 GCGBJHMISWASRG-RDTXWAMCSA-N 497.508 1.363 30 10 JDEE O=C1C(=O)N(CCOCCO)[C@H](c2ccc([N+](=O)[O-])cc2)/C1=C(/O)c1cccc([N+](=O)[O-])c1 103119831 KUQFWEGXMVLYJI-LYHOESIGSA-N 457.395 1.934 30 10 JDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)c3ccc4c(c3)NC(=O)CO4)cc21 586307448 KPLZCQCALQJUOY-XIFFEERXSA-N 468.487 1.743 30 10 JDEE COc1ccc(CCn2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccccc3)c2=O)cc1 603793875 DZXWVOQGZDBAOF-UHFFFAOYSA-N 475.570 1.523 30 10 JDEE CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)C2 1227631154 FMZKFCCOSGBKQC-HNAYVOBHSA-N 450.499 1.646 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1286276287 XAMJKIUOEMVDJA-OAHLLOKOSA-N 478.571 1.369 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC(F)(F)CO2)c1 1286307821 AYPJPTPTUYWNBA-SFHVURJKSA-N 472.496 1.995 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cnc(C)s2)CC1 1286315679 FWGQHTXRDQUXGQ-MRXNPFEDSA-N 465.649 1.779 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)n1 1286377617 ZNJBOIOTFFTSDV-CQSZACIVSA-N 458.466 1.143 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCC2(C1)OCCO2)[C@H]1CCS(=O)(=O)C1 1286381590 NLGAZFHZLRTXTN-HKUYNNGSSA-N 493.630 1.366 30 10 JDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC1(C(N)=O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286384855 JSDLTOXHZSLVOS-RTWAWAEBSA-N 499.637 1.729 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286392400 GWHMHKAEPSNOSM-HZPDHXFCSA-N 451.543 1.724 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1286394129 UUPYGUVKYCOGRL-FCHUYYIVSA-N 499.637 1.785 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccc(OC)nc2)CC1 1286473738 SHWCFQWPUYZJQQ-UHFFFAOYSA-N 495.609 1.403 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCCC)nc2)CC1 1286478452 AWGDEJKYUMECTI-LJQANCHMSA-N 458.588 1.168 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1286507756 DJSDBIFCWNULBU-UHFFFAOYSA-N 473.691 1.762 30 10 JDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286512587 WQXDXILGFMKSNT-UHFFFAOYSA-N 479.566 1.616 30 10 JDEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1286585286 YMOHYMKIEODBPT-UHFFFAOYSA-N 459.982 1.696 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1286784743 RZUZEHLBKNBODV-WMZHIEFXSA-N 490.612 1.498 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 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C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1300601963 MVLOTRFHTCVGDQ-XLAORIBOSA-N 480.635 1.851 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1300657942 VWPYKHNLEXIQCS-HXUWFJFHSA-N 470.498 1.182 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1300695766 IYRRXQVNOGOSGM-UHFFFAOYSA-N 453.572 1.027 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1300719834 RSZXIVIYLVXMIB-QFIPXVFZSA-N 492.628 1.249 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccco1 1300989900 HEBHDOHLWBHHSI-WMZOPIPTSA-N 453.565 1.994 30 10 JDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1300990535 FVRMBUMDYNCWSS-UHFFFAOYSA-N 467.574 1.512 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1301480624 BOOQPSRJYWOXHY-QWHCGFSZSA-N 489.023 1.483 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)OC(C)(C)C)C1 1301556027 FDJBKVJMXOITAZ-CVEARBPZSA-N 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C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C(=O)OC)C1 1690731320 IBXVNKBAIGLBRL-GVDBMIGSSA-N 454.593 1.797 30 10 JDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC1CCN(CCN(C)C)CC1 1693546353 CWLXMKAFUNBRLU-IBGZPJMESA-N 464.618 1.757 30 10 JDEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1693876035 HCWDPINFOUTOSR-BVZFJXPGSA-N 482.585 1.963 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc2[nH]ccc12 1705597658 NBEGRCBFRHUCKP-JOCHJYFZSA-N 480.594 1.798 30 10 JDEE C=C(Br)Cn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705692929 XWDOLUWYDHQPLK-GOSISDBHSA-N 492.440 1.745 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1705903122 QORJLOMUODTOEY-SFHVURJKSA-N 491.589 1.196 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1705935465 SEETXJSIEMBCRI-RXVVDRJESA-N 477.606 1.766 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ncccc2F)CCO1 1706047398 BARDNFOGZIQLJZ-IBGZPJMESA-N 465.489 1.771 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCCn2cnnn2)c1 1722307557 PCJNFIGUVHEYGJ-UHFFFAOYSA-N 456.514 1.397 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1722361234 GBUOQVFOJQMCIW-AVRDEDQJSA-N 460.556 1.386 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cc(F)ccc1OC)[C@H]1CCS(=O)(=O)C1 1722371547 JZVAMQUTUXNSFE-SFHVURJKSA-N 475.546 1.223 30 10 JDEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1722428475 ZYVZCJHVQMARIR-HXUWFJFHSA-N 457.556 1.782 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2COCCO2)CC1 1722434693 XXEXZYHYYIJDKO-SFHVURJKSA-N 457.531 1.142 30 10 JDEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1 1722484296 HIUWKGLXZRBKKJ-KBPBESRZSA-N 485.383 1.807 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722699411 HWJJYIGAQWWZPT-AVRDEDQJSA-N 483.592 1.299 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1722725254 MXQUIQBXHAAGPQ-DLBZAZTESA-N 453.609 1.755 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](CCOC)C1 1722727929 QAFOTUNJTGWMPY-HNNXBMFYSA-N 451.549 1.469 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1 1722728190 RNQAGGAZFCTODM-QFIPXVFZSA-N 456.572 1.739 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccccn2)n1CCN1CCCS1(=O)=O 1730749782 BPMAFZTYCJRSKP-UHFFFAOYSA-N 481.582 1.900 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1740537698 GNOYOUVKNBIUJR-GJPOJAMWSA-N 479.647 1.981 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1740622484 YSYYKWYICPYJPK-MJGOQNOKSA-N 484.582 1.781 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1740625055 NMYSSWCFEXZQFE-HXUWFJFHSA-N 498.609 1.832 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)Cc2ccccc2C1 1740685173 BTOZHKOOIGAGPH-NRFANRHFSA-N 487.626 1.502 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCOc2ncccc2F)CC1 1740699693 PTFYIJPTCWYZLK-UHFFFAOYSA-N 469.546 1.638 30 10 JDEE C#CCSCCn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1740724011 WHSJOQBPAWUEBB-XLIONFOSSA-N 456.634 1.699 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1740954958 JVJXDJGPWMOFAZ-MRXNPFEDSA-N 454.531 1.466 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1740990569 CDJXUMYIAIUUNB-SFHVURJKSA-N 468.624 1.704 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1740990810 FZBALXJKLZWBAT-OALUTQOASA-N 453.609 1.279 30 10 JDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CCCC2)CCOC1 1746695492 GAHVFRQQLHWCNE-AZUAARDMSA-N 455.556 1.730 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc(-c2ccccc2)n1 1748928925 BBMDTMXXOQHBIA-LJQANCHMSA-N 470.555 1.774 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCNc2nccc(C(F)(F)F)n2)CC1 1748984502 TULZGRVICAKJIN-UHFFFAOYSA-N 459.480 1.960 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[S@@](=O)CC)CC1 1749003669 RMTLFGLYBNDIDJ-LJAQVGFWSA-N 481.420 1.770 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(O)CCCCC2)CC1 1749019633 BPNUCUILQYOPBS-PMACEKPBSA-N 459.591 1.663 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1749119674 VNDUKIKGVJLMIC-HNJRGHQBSA-N 493.634 1.664 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749368832 RHTDMNWDWAYEKZ-DLBZAZTESA-N 473.665 1.548 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(OCC(F)(F)F)c1 1749488806 MMZPAULDPQLCRP-OAHLLOKOSA-N 490.508 1.618 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)=O)CC1)C(C)C 1749553730 URSICOMSJHCOIT-OAQYLSRUSA-N 457.623 1.881 30 10 JDEE C=CCn1c(-c2ccccn2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1749622801 WSBDIVWXIQTRPM-DJIMGWMZSA-N 460.560 1.653 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1749629734 BBASFLYIADNGEN-HXUWFJFHSA-N 494.593 1.267 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1749651033 MGQFDOOXLSLIIP-GOSISDBHSA-N 487.992 1.516 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)O[C@H](CC)C1 1749652338 LRFZYXZCBNRHBR-DOTOQJQBSA-N 475.619 1.853 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CCOCC2)CC1 1749655008 AKLMTXLCOKFMLM-UHFFFAOYSA-N 478.395 1.639 30 10 JDEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)C1 1749949780 FVEHNQGUTKQJSX-OAQYLSRUSA-N 481.601 1.944 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1760183946 FKVUSUFENGXMNH-IBGZPJMESA-N 472.567 1.936 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(C[S@@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1760184750 KZVPWYRPPUATFG-QTYPKTMWSA-N 483.619 1.894 30 10 JDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1760211611 KOOLTHDZYKNCQV-ZEQRLZLVSA-N 473.643 1.601 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](SC)C(C)(C)C 1760219457 FNHFMGXYQPNYSR-ROUUACIJSA-N 467.661 1.852 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)Cc1ccccc1 1760219595 IRAWEIIBQFYRMB-GMAHTHKFSA-N 498.653 1.594 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCOCC2)c1 1760250218 XJRPPVRTXFWBIX-IBGZPJMESA-N 489.598 1.267 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(F)c(F)c2)CC1 1760266219 SJOPDTNGBGRJAJ-AWEZNQCLSA-N 480.541 1.181 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCN2CCOCC2(C)C)CC1 1760266768 LRKNYLUJLCPPKL-UHFFFAOYSA-N 454.575 1.923 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC2(CC1)OCCO2 1760279870 AOBUDZQMEYQMJT-INIZCTEOSA-N 454.618 1.669 30 10 JDEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760302424 CMUODUODMUDSTH-LBPRGKRZSA-N 466.727 1.049 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760324098 IGBUHLUSXWBIGL-ZJOUEHCJSA-N 460.604 1.763 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CCN(CC)CC2)CC1 1760389331 INSHWFVINMRQLI-HXUWFJFHSA-N 466.652 1.889 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1760521216 MWLOUQHQFNEAND-KRWDZBQOSA-N 499.597 1.668 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@](C)(OC)C1 1760521361 QQJZFZWLRJKRAC-XMMPIXPASA-N 465.558 1.982 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](COCC)C1 1760521508 VGAXCCZLRKRBDT-KRWDZBQOSA-N 465.558 1.840 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1760549172 XVGMENNKQOJAPK-UHFFFAOYSA-N 482.651 1.492 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(c2cccnn2)CC1 1760552443 NURBHQATSUNZOO-UHFFFAOYSA-N 469.571 1.671 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)N1CCSCC1 1760695363 GFESBFSSUQCRJI-APWZRJJASA-N 492.627 1.765 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1766724797 FNNLPHKLPZFLNA-SFHVURJKSA-N 471.587 1.251 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCOCC1 1771099917 DDRGFIVDSYRAJB-HXUWFJFHSA-N 489.598 1.246 30 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484.428 1.643 30 10 JDEE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282350289 KRRPAINWXCIQAC-HUUCEWRRSA-N 484.428 1.643 30 10 JDEE CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282497723 UKOIQTYQWFRYTR-HNNXBMFYSA-N 484.428 1.739 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2[C@@H](NC(=O)OC(C)(C)C)CC[C@H]2C1 2282680423 NSICSBFZWDCHNM-ZNMIVQPWSA-N 461.372 1.490 30 10 JDEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@@H](C)C1NC(=O)OC(C)(C)C 2282698798 FATHRWWFGUWVMN-ZIAGYGMSSA-N 463.388 1.736 30 10 JDEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2282791125 CHUUDAZMHYGTDJ-UHFFFAOYSA-N 462.352 1.651 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283057161 SNOJFQYQRWNFOQ-CABCVRRESA-N 462.356 1.124 30 10 JDEE Cc1ccc(NC(=O)[C@@H]2[C@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2284049315 SMZAAEYLJGZPMU-OKZBNKHCSA-N 462.352 1.574 30 10 JDEE 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C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1507806388 HQAGTHRTCMMEOO-BCYZHJNNSA-N 454.593 1.607 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C 1508012108 BPEDVQKJBFGECH-GBESFXJTSA-N 456.595 1.142 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1508093914 DVJITQBYYJPWMB-RUZDIDTESA-N 479.585 1.860 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](C)(C(N)=O)C2)cc1 1508096503 HCXQFNWYTUKKFS-YCRPNKLZSA-N 462.576 1.203 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2c(C)noc2C)CC1 1515993342 ASCQHZODXASRLN-UHFFFAOYSA-N 462.558 1.922 30 10 JDEE CN(C)c1cccnc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1517007392 DAEGNDWKWOZAMH-HNNXBMFYSA-N 452.544 1.508 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CC1 1517123364 CLJYMASQYIQNDB-DENIHFKCSA-N 474.587 1.280 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCN(CC)CC1 1539268030 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C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1587862593 WXFKZQJWEKAMDA-VQIMIIECSA-N 493.552 1.554 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(N(CC)CC)nc1)[C@@H]1CCS(=O)(=O)C1 1588025412 YXFPRUCJULBJTI-LJQANCHMSA-N 487.630 1.333 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588030335 SMWDQDVWOIOAHH-OKZBNKHCSA-N 456.572 1.988 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1588034578 ITWIRJGDEWXGDD-HNNXBMFYSA-N 497.419 1.151 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588049217 CGGNSHKPGJAEOX-QGZVFWFLSA-N 460.560 1.492 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccnc1OCCCC)[C@@H]1CCS(=O)(=O)C1 1588049317 FAXIYRYXIWAEBY-LJQANCHMSA-N 481.582 1.984 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSc2ccccc21 1588234028 ZAUIFTOIPHWHGL-UYAOXDASSA-N 485.635 1.963 30 10 JDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1ccc(C)c(F)c1 1588629082 XACDWQAJZJRAIB-UHFFFAOYSA-N 482.516 1.969 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1589069910 OSFSJWANXSLBFO-RDJZCZTQSA-N 492.623 1.617 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1589295375 FJAMJPPQEDWGLM-WSMBLCCSSA-N 478.413 1.570 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(C)(=O)=O)CC1 1589543941 CZDFPCLOOYMFCF-RYRKJORJSA-N 472.633 1.175 30 10 JDEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccc3nncn3n2)CC1 1594668157 DGUPTQKLVYTXLO-UHFFFAOYSA-N 452.567 1.927 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO1 1595100259 PCYZEZQUHDGKIA-NHCUHLMSSA-N 486.598 1.854 30 10 JDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1595866134 AAGWIJNWRQUSNN-GOSISDBHSA-N 480.660 1.834 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cc(F)ccc1N1CCOCC1 1609506681 FVXOWRLVAAMVHK-SFHVURJKSA-N 457.510 1.169 30 10 JDEE Cc1nc2ccccc2n1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1612428483 BDKLTGLALMSANC-JXFKEZNVSA-N 486.602 1.565 30 10 JDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCN2CCCO)cc1 1619239384 BSNNPXULASXYIA-IRLDBZIGSA-N 454.575 1.647 30 10 JDEE C=CC[C@]1(C(=O)N2CCN([C@]3(C(=O)OC)CCOC3)CC2)CCCN1C(=O)OC(C)(C)C 1629779146 LOBPEWZILCLAEB-DHIUTWEWSA-N 451.564 1.809 30 10 JDEE C=CCNC(=O)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1632773164 IOVNSMSWLSRIHS-NSHDSACASA-N 450.380 1.330 30 10 JDEE N#Cc1cc(F)ccc1N1CCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)CC1 1648939941 GBJNJEBCNXVWNP-SFHVURJKSA-N 457.893 1.673 30 10 JDEE CC(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)CCO1 1649540636 DNLSJTYHFAAIJV-HXUWFJFHSA-N 485.570 1.786 30 10 JDEE C#CCC[C@@H](O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1654513156 INRNCCMYUWTQSW-LLVKDONJSA-N 450.298 1.046 30 10 JDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccn3)c2)CC1 1663573952 GXVRKBZNCXKQCI-UHFFFAOYSA-N 456.524 1.493 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2)CC1 1671894751 HIYYQAWYOLNRPR-HNNXBMFYSA-N 459.494 1.079 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)CC1 1677271107 KBENCKKVKKATFL-UHFFFAOYSA-N 456.572 1.842 30 10 JDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1689901053 ADDCJRCPFDHYKU-VXKWHMMOSA-N 483.661 1.831 30 10 JDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCC(O)CC1 1689949166 SIGJGRFESKBBIV-UHFFFAOYSA-N 459.620 1.463 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1689983007 YVYIGGAPHXSRPR-HNNXBMFYSA-N 471.917 1.607 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccccc2C2OCCO2)CC1 1690111539 DLKCFBJGWFCSGN-LJQANCHMSA-N 455.559 1.851 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1690249633 ZZPHJOXWRYXOEO-XXBNENTESA-N 453.591 1.455 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(C)C(C)=O)CC1 1690432899 NXZINFPALJDMKD-IBGZPJMESA-N 482.651 1.660 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1690497222 KQAJFKMSPBGLKF-SFHVURJKSA-N 478.594 1.837 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1 1690683228 FBEHVWCSEHHADP-HXUWFJFHSA-N 477.587 1.451 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCCC2)CC1 1690714302 JRAHDDYVJXXCGX-UHFFFAOYSA-N 473.603 1.591 30 10 JDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(OCC(=O)N(C)C)c2)n1 1693428806 BNLQBUCFBWFVTI-NRFANRHFSA-N 478.557 1.384 30 10 JDEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C[C@@H]1C 1695811998 CNMKJVDPIRLUQM-ROUUACIJSA-N 475.619 1.539 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C#N)C1 1696486662 HHGOWGGXNUYTHK-IBGZPJMESA-N 489.602 1.548 30 10 JDEE CN(C)[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)c1ccco1 1696598931 AJXPLWWNFQIKLO-HKUYNNGSSA-N 477.591 1.247 30 10 JDEE COc1ccc(CCc2nnc(N3CCC(C#N)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1697401709 BHOURMXJDKUTAB-JOCHJYFZSA-N 459.572 1.361 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1698482601 FQMQNTKWNBXCDP-QRWLVFNGSA-N 480.953 1.738 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@]1(O)CCS(=O)(=O)C1 1705486447 FJZKQHBXYJVULO-FZKQIMNGSA-N 453.362 1.715 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1705490843 RQNQVCJGGWYXGL-OAHLLOKOSA-N 459.514 1.286 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCN2CCCO)c1 1705506086 ZPILFNISQGSOHC-NHCUHLMSSA-N 479.585 1.132 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1705524603 PLYFEQMCSHKIAD-CYBMUJFWSA-N 464.514 1.197 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1705562180 YKRZGYFWIVJHKU-LJQANCHMSA-N 472.571 1.964 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1705570065 MBXDTUSKESZNLH-LJQANCHMSA-N 473.628 1.856 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1705904970 DWMYDYIYOBTOFE-UHFFFAOYSA-N 466.521 1.435 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1705906928 TXZSLBKGXMCYKD-NRFANRHFSA-N 495.628 1.601 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705907414 MENVUBYPYXWHOM-UHFFFAOYSA-N 463.542 1.031 30 10 JDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1705944257 ZNHLRYZZJMMFAS-OAHLLOKOSA-N 453.572 1.778 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(ccnc2O)C1 1705947024 YBAKZMDSCJOOJU-QGZVFWFLSA-N 480.616 1.194 30 10 JDEE C[C@@H]1OCC[C@]1(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1708275576 GAVJJKBDGGIICK-WVFSVQOHSA-N 462.913 1.843 30 10 JDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CCCO)C1 1712691799 CTBFHOCMMFJXLU-UXHICEINSA-N 458.588 1.287 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCS(=O)(=O)C1 1722289268 CASLNGCMGJKATC-RCCFBDPRSA-N 481.619 1.869 30 10 JDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)[C@@H]1CC 1722310753 OFJROZDMMJBKJP-IBGZPJMESA-N 458.588 1.714 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCN(C)CCCC)[C@@H]1CCS(=O)(=O)C1 1722369225 WCMZNSNLBANJMN-QGZVFWFLSA-N 476.603 1.364 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722369391 YPGWEAVRTFDJMJ-SJORKVTESA-N 494.618 1.113 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCOCC1 1722419610 ATRBYTJAQKQVDQ-UHFFFAOYSA-N 451.369 1.844 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1722448971 JPLFCCBMYWFWMO-QHCPKHFHSA-N 479.629 1.587 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722468742 PDZHWSVZBJSAMT-VLCRHTCISA-N 465.620 1.592 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722554752 HHUWQUAZHQMVQG-INIZCTEOSA-N 469.999 1.477 30 10 JDEE C=CCCCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722611690 VSBQQNGICJMKRZ-KRWDZBQOSA-N 454.531 1.369 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1722685810 NOWSNUSCCZOVPG-VQTJNVASSA-N 466.652 1.889 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1722699325 GJYXXDZEUZDZCJ-UHFFFAOYSA-N 474.631 1.988 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1722700884 XZGSDEQYHJLCQS-UHFFFAOYSA-N 467.559 1.273 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1722706611 VDUDOWNFGFOSBM-KRWDZBQOSA-N 457.510 1.339 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1722727030 FDZRFJQJQYFLBE-QGZVFWFLSA-N 479.628 1.797 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOCCCO)C[C@H]2C)CC1 1722799850 UPYNCFRGYRFVDQ-AUSIDOKSSA-N 481.601 1.205 30 10 JDEE CC(C)(C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1(O)CCS(=O)(=O)CC1 1722917721 FXKYGXSTFRFTMW-LJQANCHMSA-N 473.599 1.965 30 10 JDEE CC(C)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1723655254 FIIVFUKBXYMBOC-UHFFFAOYSA-N 472.615 1.723 30 10 JDEE C[C@H]1CCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1726584731 FKCWAASWKPVDIQ-IBGZPJMESA-N 467.574 1.508 30 10 JDEE COCCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)CCCC1 1730659039 BTZJWLBHWXUZEB-QZTJIDSGSA-N 468.624 1.946 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1740534375 YLODVPCTSWTNKN-CGTJXYLNSA-N 464.592 1.321 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCCC1 1740550758 JPYXCGQWHRYNQW-QZTJIDSGSA-N 453.609 1.666 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCC(=O)N(C)C 1740560537 KVIHJHOJEQARDF-OAQYLSRUSA-N 451.619 1.969 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2cnn(CCOC)c2)c1 1740562748 NTSUJRNPSFVGCS-UHFFFAOYSA-N 490.568 1.462 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C(F)(F)F)ccn1 1740610591 GHAAPVIJKQTNQT-INIZCTEOSA-N 472.493 1.337 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1740647758 ZYLKZOKHTOZFQV-HSZRJFAPSA-N 471.583 1.283 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCn2cncn2)CC1 1740694350 HMFXHUZVLNNLGQ-LJQANCHMSA-N 469.594 1.440 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1740696429 ULCBAEQNCGHIQS-GOSISDBHSA-N 488.580 1.210 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@](C)(O)c2ccsc2)CC1 1740704384 NHCUGVBPYZYARX-QFIPXVFZSA-N 451.556 1.670 30 10 JDEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCNC(=O)CC1 1740715710 DVDWQIIWQIUEFK-UHFFFAOYSA-N 451.556 1.368 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1740963707 UPGOYSKWTZLEGM-MRXNPFEDSA-N 461.567 1.196 30 10 JDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1748287566 HCMFGCFUVYWCOT-FQEVSTJZSA-N 482.589 1.037 30 10 JDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1748759842 QKDXPXJVSPBYHH-IBGZPJMESA-N 456.572 1.908 30 10 JDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCS(=O)(=O)N1CCSCC1 1748776366 GUCFDXWTRIMGHQ-UHFFFAOYSA-N 465.601 1.410 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1748801799 GWKDBGOCWFOYHB-SJLPKXTDSA-N 451.593 1.250 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1748802151 MBWDUUHKVZKOPC-QGZVFWFLSA-N 479.006 1.920 30 10 JDEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1748824043 HSWWKEFWSMZERV-FCGDIQPGSA-N 493.630 1.855 30 10 JDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1748851995 SQRQETRWQALPGS-QHCPKHFHSA-N 460.582 1.855 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccccc1 1748891799 GEJYBUIZGFWDJO-TZIWHRDSSA-N 455.584 1.878 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cnn(CC(C)C)c2C)CC1 1748977787 CWUDFSJPONHSOG-DEOSSOPVSA-N 455.607 1.895 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](Cc2ccccc2)OC)CC1 1748978204 HNUBWWBTUIEMML-DHLKQENFSA-N 453.587 1.943 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1749032179 XIMGWYVMEQFZPW-YLJYHZDGSA-N 456.620 1.034 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)ccc(F)c2C1 1749038019 MQWNLLFWBSNUDR-IBGZPJMESA-N 497.593 1.818 30 10 JDEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1749187690 XUSJRCNLJWIFAS-GOSISDBHSA-N 465.558 1.982 30 10 JDEE C=CCCOCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749445705 WBTJHTWJUDAKHD-IAGOWNOFSA-N 472.521 1.297 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCNC(=O)C1)C(C)C 1749557530 KTCHODNQLUVEAV-GOSISDBHSA-N 455.563 1.641 30 10 JDEE COCC[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1749601766 CRUKGVYLERYRRS-HSZRJFAPSA-N 455.563 1.402 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1749660911 WAJXWLLQTYIJNX-UHFFFAOYSA-N 468.558 1.713 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1749730917 VPGBHEDQSLUGPE-OAQYLSRUSA-N 460.535 1.516 30 10 JDEE Cc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1751695356 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C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760345252 PCRMSBYCZRJOEE-INIZCTEOSA-N 471.587 1.721 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1760518300 PCXMPWIRGNVMCC-UHFFFAOYSA-N 478.561 1.107 30 10 JDEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCN(S(C)(=O)=O)CC2)cc1 1760531259 ISWKTVXEJRMODG-UHFFFAOYSA-N 468.583 1.959 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)nnc1C(C)(C)C 1760558571 SNRTYWDYEWFZTN-HXUWFJFHSA-N 482.695 1.408 30 10 JDEE CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)c1=O 1766963960 GHKOCDAWCQQGBI-IBGZPJMESA-N 452.540 1.670 30 10 JDEE CN(C)C(=O)Nc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1768469282 CSDRYVMVAYYKNO-FUHWJXTLSA-N 473.559 1.051 30 10 JDEE CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCCC1(C)C 1768587737 ALANWECQUZHKSK-VWLOTQADSA-N 482.585 1.965 30 10 JDEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CN2CCN(Cc3ccccc3)CC2)cc1=O 1870562396 DLDVPMFOVUCDLK-UHFFFAOYSA-N 480.590 1.874 30 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464.372 1.302 30 10 JDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)n1 2282039511 WLZLUNIOKDCIKU-MRXNPFEDSA-N 463.384 1.989 30 10 JDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2COC[C@H]2CNC(=O)OC(C)(C)C)n1 2282049990 IBBHCDQCWCAXFX-NVXWUHKLSA-N 461.368 1.959 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)CC1 2282337515 HWZPZRTYQREIBY-HNNXBMFYSA-N 484.428 1.787 30 10 JDEE CN(C)CCN(CCNC(=O)OC(C)(C)C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282610905 DCBOPOQRHRGTGH-UHFFFAOYSA-N 463.388 1.304 30 10 JDEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C 2282611046 GEXJVRIOYJOBAY-QHCPKHFHSA-N 464.368 2.000 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@@H](CN(C(=O)OC(C)(C)C)C2)C1 2282694936 JXZGBILHCMRNAM-HUUCEWRRSA-N 461.372 1.443 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC(CCCNC(=O)OC(C)(C)C)C1 2282865127 PXNDENZEBPBGEK-UHFFFAOYSA-N 485.416 1.040 30 10 JDEE 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JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1508085260 FUYNDEKAYDKKCC-UHFFFAOYSA-N 476.585 1.913 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](CC)C1 1508087901 QSEADJILRFTCQL-HOTGVXAUSA-N 451.531 1.498 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1508091679 NVXMUCMCZRIJDX-QGZVFWFLSA-N 456.522 1.622 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1508163514 VNLYNAFLYJHDMF-FUHWJXTLSA-N 450.634 1.902 30 10 JDEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1515491116 AVFHNRPKZQFFRE-UHFFFAOYSA-N 480.573 1.259 30 10 JDEE CCO[C@@]1(c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCC(C)(C)O)CCOC1 1516212876 FPBVOPIDYXQTGT-QHCPKHFHSA-N 455.563 1.684 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1519748561 BPRWYNIICGJDQI-DYESRHJHSA-N 450.557 1.956 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC[C@H]1C[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1539202971 MGRRPTJFRAQRIL-BQFCYCMXSA-N 453.584 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30 10 JDEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1589347755 VBZRHLWFTXYGPS-UHFFFAOYSA-N 493.406 1.747 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(S(=O)(=O)CC)CC1 1589483015 MVKMSMFYDQKMEC-FUHWJXTLSA-N 453.609 1.801 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1593690102 IUAJGEITMRCJCR-UHFFFAOYSA-N 468.624 1.357 30 10 JDEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1593800928 YHUWKRPCVOQQBN-UHFFFAOYSA-N 465.986 1.220 30 10 JDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(OCC(N)=O)c1 1594956014 HEGQVVHJSCRJEW-UHFFFAOYSA-N 462.558 1.987 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1595496797 HTMMFAAIUQBJJC-INIZCTEOSA-N 459.348 1.821 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@H]2C1 1595594290 MUFAVEUUFWTLCT-OAHLLOKOSA-N 458.544 1.522 30 10 JDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cccnc2OC)CC1 1618836182 FIJURVKJVFWIFJ-UHFFFAOYSA-N 462.514 1.642 30 10 JDEE 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C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1705721429 ZCHGCFVOSRBXCB-GBESFXJTSA-N 481.667 1.281 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1705725733 OQILBJLIDGPEPA-KSZLIROESA-N 453.609 1.971 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705731265 VFVHHHWBXKITEI-SFHVURJKSA-N 497.643 1.411 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1705897970 YBQSKGCJUATNEF-INIZCTEOSA-N 489.602 1.046 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C(=O)NC)c2)C1 1705916345 OXKPYZAYLMKFEI-QAPCUYQASA-N 462.576 1.078 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1705927562 AQECVJJMQOBFIR-QZTJIDSGSA-N 465.620 1.899 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705932833 LKAMUHPZBTZVPI-INIZCTEOSA-N 468.601 1.568 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)OCC)CC1 1705933823 SMIUKFDSMJERSJ-UHFFFAOYSA-N 493.586 1.842 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1705935820 DMDIHQGWCMPYMU-ZCNNSNEGSA-N 467.636 1.320 30 10 JDEE CCN(C)C(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C#N)CC1 1709907874 BHQNOZZWJPZIQJ-UHFFFAOYSA-N 464.618 1.861 30 10 JDEE CCNC(=O)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1710324051 CJNWJJDEOHDRRI-LAUBAEHRSA-N 460.535 1.420 30 10 JDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)CC1 1712102690 BWEIKVAPFOWZGK-YTTGMZPUSA-N 456.572 1.413 30 10 JDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)C[C@H]1C 1712486114 DBQUGPDKMGPOAR-GOSISDBHSA-N 472.615 1.798 30 10 JDEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1722457708 LDUKRHPXOYRIQG-FXAWDEMLSA-N 454.604 1.090 30 10 JDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1722549462 OSNULIDOHHBHEN-BMFZPTHFSA-N 495.993 1.614 30 10 JDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1722625569 WRBGOSUVFQQODJ-UHFFFAOYSA-N 482.589 1.268 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCS(=O)(=O)C1 1722676064 YIVBKBAVBUQKFG-HSZRJFAPSA-N 473.599 1.185 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1722723595 ANIXGHBOAFNKOH-ZFWWWQNUSA-N 497.419 1.362 30 10 JDEE C=CCSCCn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722739526 JFBJPHQIOHPQEU-FQEVSTJZSA-N 473.665 1.710 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2C)CC1=O 1730798890 HGVADVVGUCBUFX-QUCCMNQESA-N 468.558 1.696 30 10 JDEE N#CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNS(=O)(=O)c2ccccc2)CC1 1731189252 FQCCOBPMRDSLMK-GOSISDBHSA-N 457.560 1.338 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740619442 OPNWOJAYKQRTEK-LPHOPBHVSA-N 493.552 1.051 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1740621721 OJXHFHJTQSGMSG-WMLDXEAASA-N 455.544 1.770 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1740627929 LMKUBRMHUWPZPP-YWTNHNAXSA-N 463.604 1.102 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1N1CCOCC1 1740640919 ZDQRQMGMFFHQRN-GOSISDBHSA-N 471.558 1.277 30 10 JDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740714297 VCXLYOPKTYUJCP-SFHVURJKSA-N 458.613 1.949 30 10 JDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740735984 DFSKRBBUYGSJFI-CQSZACIVSA-N 498.407 1.600 30 10 JDEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(=O)NCCOC)CC1 1740814694 ZQAADALDGVJYEJ-UHFFFAOYSA-N 472.981 1.154 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740963147 ATPPDNRGMUUERI-RUZDIDTESA-N 495.584 1.591 30 10 JDEE C=CCNC(=O)Cn1c(N2CCS(=O)(=O)C3(CCCCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740964971 KGBMTGAXTRZDTQ-HSZRJFAPSA-N 495.646 1.559 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)c(F)c2)C1 1740981001 NJPASXBLQFSSHH-XLIONFOSSA-N 495.577 1.588 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCN(CC)C2)c1 1748690879 ZPGHHVDZMBTYQU-HXUWFJFHSA-N 463.586 1.912 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCS(=O)(=O)N(C)C)c1 1748694947 VAMDVSCRZKKPCJ-UHFFFAOYSA-N 481.582 1.212 30 10 JDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1748812132 QPZZLNUMGHAEJX-FQEVSTJZSA-N 481.582 1.236 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1cc(C)ccc1OC)[C@H]1CCS(=O)(=O)C1 1748817260 HQORDCOZNCPIEX-PMACEKPBSA-N 458.584 1.968 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCNC(=O)c1ccc(C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1748823805 BRZYEUPREZYKEH-AZUAARDMSA-N 489.573 1.634 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC(=O)N1CCOCC1 1748882776 FWRXXLQCYLWQFU-UHFFFAOYSA-N 457.538 1.843 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(=O)N(C)C)CC1 1748990826 LWUPOCKNLJWXGT-GOSISDBHSA-N 459.595 1.236 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1749014039 CSADSXVVPOXBHI-UHFFFAOYSA-N 487.601 1.799 30 10 JDEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)c1ccccc1 1749383192 SJFWKZOEUKACHT-MISYRCLQSA-N 487.630 1.804 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1749721899 WFBCILCZOAFREU-SFHLNBCPSA-N 480.679 1.771 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(-n2cncn2)nc1 1760102549 MJFAPHUHFAOQCK-KRWDZBQOSA-N 491.581 1.677 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1760185758 COXYMMYXWQKICO-CABCVRRESA-N 456.490 1.758 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(F)c1 1760248771 DSZZUBKCNKLEPC-GOSISDBHSA-N 469.514 1.024 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCOCCS(C)(=O)=O)CC1 1760262332 LYAWBNQVMQGVMG-UHFFFAOYSA-N 466.007 1.339 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CC(F)(F)CO2)CC1 1760266169 RDQSAOSARLAOML-WBVHZDCISA-N 455.506 1.392 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1760342645 JALHSKUTDHWORE-IBGZPJMESA-N 471.587 1.873 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1760374001 GTGLGSARIWBWCK-MOPGFXCFSA-N 492.989 1.813 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760517122 DAHVNUAEGJAJQY-OAQYLSRUSA-N 462.457 1.880 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](CC)C1 1760566361 RWGUWCLCCOUFHI-HOTGVXAUSA-N 461.679 1.862 30 10 JDEE N#C[C@]1(F)CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=O)NCC(F)(F)F)C1 1771528387 AFTKJEHNVDLWRC-RDTXWAMCSA-N 454.384 1.911 30 10 JDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cccc(N4CCNC4=O)c3)CC2)CC1 1889464571 NQURNHYURIXMNO-UHFFFAOYSA-N 467.614 1.867 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)CCCNC(=O)c3cccnc3)CC2)CC1 1890508870 HPPYVJZRFAJWQF-UHFFFAOYSA-N 455.603 1.240 30 10 JDEE COCCCn1c(C(=O)N2CCC(COc3ncccc3C#N)CC2)cc2c(=O)n(C)c(=O)n(C)c21 1891530843 UTEISGAITYIOGS-UHFFFAOYSA-N 494.552 1.273 30 10 JDEE C#CCN(C(=O)[C@@H]1[C@@H](O)[C@H](O)CCN1C(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 2200963223 RESSQNDTBHKOID-QYZOEREBSA-N 481.590 1.579 30 10 JDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C 2255739809 QCFTWHPUZHWMEP-ZDUSSCGKSA-N 476.426 1.520 30 10 JDEE CO[C@H](C)[C@@H](CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)NC(=O)OC(C)(C)C 2256623700 RVTGVSWOHAHJAX-VXGBXAGGSA-N 456.374 1.516 30 10 JDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](COCc3ccccc3)C(=O)O)s2)OC1(C)C 2256902788 XUZPLMPRQXJKDR-OAHLLOKOSA-N 467.374 1.996 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2260816193 KHUPSAQCMFZQRK-HVHJFMEUSA-N 458.386 1.714 30 10 JDEE Cn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)nc1B1OC(C)(C)C(C)(C)O1 2267187794 CXMBQCOETUNUIZ-KBPBESRZSA-N 452.336 1.797 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267349926 BFQQRAFUDPUZBJ-LHSJRXKWSA-N 465.381 1.669 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H](CO)NS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267708673 ODIUHMAZXQNQII-KRWDZBQOSA-N 470.397 1.291 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)s1 2268631884 DMHQOVUMORPLAX-CQSZACIVSA-N 467.397 1.741 30 10 JDEE Cn1nccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268643774 LOPPHOYPLKRJAR-GFCCVEGCSA-N 464.357 1.197 30 10 JDEE Cn1cc(C(=O)NC[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281963255 JQIBWTSSFCYWFV-JOCHJYFZSA-N 464.372 1.211 30 10 JDEE CC1(C)OB(c2c[nH]nc2C(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)OC1(C)C 2281985146 IICMBXJJVPUKIM-VQTJNVASSA-N 452.364 1.824 30 10 JDEE CC1(C)OB(c2sccc2C(=O)N2C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C2)OC1(C)C 2282012781 AMYMTCGUTDXAII-WDEREUQCSA-N 475.298 1.042 30 10 JDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCO1 2282190892 KCUFQZLEBZYYDI-HOCLYGCPSA-N 462.356 1.530 30 10 JDEE 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CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C 2284119015 NHXRLYDVHHGGJZ-BHYGNILZSA-N 482.408 1.347 30 10 JDEE CC#CCN(CC(=O)N1CC(O)(C2CCN(C(=O)C(F)(F)F)CC2)C1)C(=O)OC(C)(C)C 2337792660 MBYPMSXNUBAYBZ-UHFFFAOYSA-N 461.481 1.621 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](CNC(=O)OC(C)(C)C)OC 2339879057 RGLATIJQNDDYCT-CQSZACIVSA-N 452.361 1.472 30 10 JDEE C#CCN(C(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1)[C@H]1CCS(=O)(=O)C1 729332182 VUSCKVLIUWQROG-IBGZPJMESA-N 456.520 1.975 30 10 JDEE Cc1cccc(C(=O)N2CCCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)c1 1141440675 FQNBTGXSWCHOFE-SFHVURJKSA-N 454.552 1.908 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1286388157 YWTARJFNEYNBEZ-OAQYLSRUSA-N 492.605 1.911 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(C)ccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1286390260 ZIVNSWUPACQRAB-IRXDYDNUSA-N 493.536 1.814 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1286390397 APMGBMFHYQGEJH-OAQYLSRUSA-N 451.552 1.431 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1286396513 QDOVFGRZUCKHPK-HOTGVXAUSA-N 463.526 1.326 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286460742 IVPKZJPJUHMZSV-IBGZPJMESA-N 488.589 1.461 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CSCCS2)CC1 1286485428 LIAQTGUYFBNZOA-KRWDZBQOSA-N 462.645 1.329 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 1286495577 AIMYUYJSRNDPMG-NRSPTQNISA-N 488.683 1.823 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1286499127 DOWQYNNVHBFWDP-HNNXBMFYSA-N 470.642 1.584 30 10 JDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1286503176 AVORMGUCEGLRHM-JOCHJYFZSA-N 469.659 1.938 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccco2)C1 1286508891 KYYJZTZRIPATHE-QZTJIDSGSA-N 481.600 1.148 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCS(=O)(=O)NC 1286528403 ZFINVXCVXFHYKD-XMMPIXPASA-N 485.658 1.184 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(O)cc2)CC1 1286781275 WNYXKUPGDRXGPW-OAHLLOKOSA-N 460.560 1.190 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1286784141 XLCLNVVRILQEHW-INIZCTEOSA-N 463.560 1.278 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1286793373 CVIYMCOPSXRPEB-AOIWGVFYSA-N 478.594 1.655 30 10 JDEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1300357531 POKLTINUJDWGKT-HXUWFJFHSA-N 477.569 1.991 30 10 JDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H](N1CCOCC1)C(F)(F)F 1300456182 XDJBWEXQYBZMNJ-SFHVURJKSA-N 489.502 1.915 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1300483241 JQODEAUGDURSKN-NRFANRHFSA-N 452.584 1.929 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1300497519 ZNLCZZYDQHHPLC-NRSPTQNISA-N 490.651 1.919 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(C)cc1)N(C)C 1300631268 OTLDDXVTSBJLHX-SFTDATJTSA-N 474.631 1.682 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCOC[C@H]2C)CC1 1300711216 TVSDLEAHPVTRRO-MJGOQNOKSA-N 458.607 1.835 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2nccnc2C)CC1 1300711628 FSWMASXEESUSCG-UHFFFAOYSA-N 473.541 1.232 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1301296676 JHTADJSUAHLHAO-RBUKOAKNSA-N 466.583 1.675 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1301458010 KGZZXFNOHIWWLM-IBGZPJMESA-N 464.567 1.258 30 10 JDEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1301458442 PHEWVJVLYAHEBK-UHFFFAOYSA-N 456.938 1.175 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(c2ncc(F)cn2)CC1 1301506316 IUBBPIZTZYOBOB-UHFFFAOYSA-N 466.521 1.435 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1301587310 MVMXVJXCMYQIPS-HNNXBMFYSA-N 451.980 1.790 30 10 JDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 1312896826 UQOSXAVPUGLGNE-HOTGVXAUSA-N 455.533 1.290 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2Cc2cn(C3COC3)nn2)c1 1358903422 WKBQDMLYQQAFIE-UHFFFAOYSA-N 450.503 1.082 30 10 JDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1358921190 QPBUOHWQAMVYJL-INIZCTEOSA-N 464.617 1.583 30 10 JDEE C#CCCCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1358936391 MHHSWWUCNDEKIB-QHCPKHFHSA-N 460.579 1.306 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1358960414 DOFNBXFZTXAYOK-HNNXBMFYSA-N 477.472 1.824 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1358964966 LEADSQJVJLDJGB-WMZHIEFXSA-N 458.584 1.665 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1358965174 PJSXOWHHNUVBLJ-MOPGFXCFSA-N 464.613 1.753 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358966856 YAFZNMBOKPXODM-GOSISDBHSA-N 490.655 1.382 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN/C(O)=C1/N=CC=CC1=O 1358979329 JJTHGZXWVFWMFE-ZQKSFYQXSA-N 458.478 1.390 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](C)OC)CC1 1359041928 MLESDBQHQQFKBI-QGZVFWFLSA-N 488.614 1.196 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359099642 QWGXVPQPORNELP-OTWHNJEPSA-N 479.647 1.856 30 10 JDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1359225746 JWERQYXTDVEJIU-UHFFFAOYSA-N 470.622 1.796 30 10 JDEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](C)(C(N)=O)C1 1359226170 YAXYLMPFVMCMRQ-OAQYLSRUSA-N 461.592 1.533 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@](F)(C#N)C1 1359293757 YYYVXGGXNTVHCL-HXUWFJFHSA-N 460.539 1.291 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359306014 SRXUXNMYNPTRIZ-UHFFFAOYSA-N 492.049 1.736 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1359309539 VLPNKLGOELHKOR-FQEVSTJZSA-N 496.612 1.912 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1359329376 HGDWJKUVEKJBMS-UNMCSNQZSA-N 484.626 1.965 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(C)C)CC1 1359331228 RKKDRYCIYKUFRV-UHFFFAOYSA-N 464.592 1.385 30 10 JDEE C=CC[C@@]1(C(=O)N[C@H]2CC(=O)N(CCN(C)CCOC)C2)CCCN1C(=O)OC(C)(C)C 1468667787 BMELPDLRJPMATM-MBSDFSHPSA-N 452.596 1.628 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H](O)C1 1503476027 CNKVGYVFOFUUQG-HBMCJLEFSA-N 488.614 1.670 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507527064 GBDLIXBJGXODKV-MSOLQXFVSA-N 453.572 1.870 30 10 JDEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1507556085 YZTGGOKUNDVQEN-UHFFFAOYSA-N 493.659 1.432 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1507623830 XWZOAIHLCCKRFM-GOSISDBHSA-N 462.551 1.406 30 10 JDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507677722 HXSDEDBPYRRGCI-HKUYNNGSSA-N 464.636 1.860 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(OC)cc2C1 1507750662 BEXOHYQZZXBLDL-FQEVSTJZSA-N 491.639 1.549 30 10 JDEE C=CCNC(=O)Cn1c(N(C)[C@H]2CCCN(c3cccnn3)C2)nnc1[C@]1(OCC)CCOC1 1508094945 QWNJIKZOCKOTSD-MBSDFSHPSA-N 470.578 1.128 30 10 JDEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1508463292 BGQQCEUJEOLFJA-FQEVSTJZSA-N 499.641 1.983 30 10 JDEE CCN(C)C(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1515322790 CMJQIOFAZTWMJI-QGZVFWFLSA-N 454.510 1.045 30 10 JDEE C=CCN1CC[C@H](N(C)C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)C1=O 1524314674 SAXXKSAVPSLZQD-AWEZNQCLSA-N 451.453 1.605 30 10 JDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1539079059 ODUNLSXKWGGJTQ-UHFFFAOYSA-N 455.607 1.339 30 10 JDEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539105141 XNEUDMJOFHUUIY-HNNXBMFYSA-N 487.358 1.277 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1539206832 WGPLUVBKRLULQE-OAHLLOKOSA-N 452.483 1.698 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1539212014 MFKPBFVUQVAOQJ-IERDGZPVSA-N 480.974 1.385 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1CC1(CS(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1539220246 HRIZYMRBPGUNLV-QGZVFWFLSA-N 454.618 1.387 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1539229849 ITPMJIAZIJKPIA-HXUWFJFHSA-N 474.631 1.852 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C[S@](C)=O)cc1 1539296643 SCBNQNJCZPPJPA-ZOKDDAQRSA-N 461.613 1.278 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCOC(C)(C)C1 1539307380 RAVQIMBYNUIBQE-UHFFFAOYSA-N 459.558 1.495 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCC[C@H]2C)n1 1539422828 MFDFSEREFWKVRZ-NTKDMRAZSA-N 469.590 1.548 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2cccc(C)n2)CC1 1539469015 MGEXPZJDQWKPAY-RUZDIDTESA-N 466.586 1.842 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1540005351 KNDDKRFQZMJBJA-IRXDYDNUSA-N 459.638 1.254 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1540862923 LZFWHYLSDHZCPZ-QGZVFWFLSA-N 473.553 1.070 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1540870477 OGOTUFAYJMQZLZ-QUCCMNQESA-N 458.607 1.949 30 10 JDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1540910533 JKQYGXDQBHDUGO-QGZVFWFLSA-N 499.684 1.738 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1540917015 LZYRZUGSQFCYNS-QZTJIDSGSA-N 455.650 1.400 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1540983018 CRGVORYNCPDYOZ-XUTLUUPISA-N 453.478 1.279 30 10 JDEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NC(C)C)C[C@@H]2C)CC1 1541002967 YADWBDPFYVWTBP-AVRDEDQJSA-N 478.601 1.330 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)CC1 1558072826 FMDLELLIDRBPHW-UHFFFAOYSA-N 450.952 1.270 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)Cc1ccccc1 1587638053 AXEJCVZZZKAALK-PZJWPPBQSA-N 474.631 1.591 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1588034737 LDJGWQJAEMIQQQ-SFHVURJKSA-N 489.579 1.320 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CCNS(=O)(=O)c1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1588065102 UKNFWMIJWLBQTK-QGZVFWFLSA-N 497.668 1.206 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588074079 IHTXZJCNGARCHL-MBDNFAEBSA-N 493.674 1.893 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCS(=O)(=O)C1 1588281103 YGOOWGIVPKBAFW-MRXNPFEDSA-N 465.601 1.090 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1588864955 NCQAWKYOFRLLCF-BGYRXZFFSA-N 499.685 1.913 30 10 JDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1589053947 XTWYTDJDULSUJG-WOJBJXKFSA-N 482.658 1.728 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1Cc1ccccc1S(=O)(=O)N(C)C 1589198689 ZMPKYOQEGYPDIB-JOCHJYFZSA-N 453.572 1.969 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1593635903 CCTYQAOJHHYCDT-OALUTQOASA-N 452.625 1.499 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1595490288 OPMLPNOTMQMRNO-QGZVFWFLSA-N 469.571 1.651 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2CCCCCC2)CC1 1595550356 CYOXUDWNKCWBCB-HXUWFJFHSA-N 478.663 1.575 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1CC(C)(C)C1 1611706625 BQJAFCQXSJRSNS-HZPDHXFCSA-N 487.634 1.701 30 10 JDEE CCN1CCN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 1615895744 GSYZFPASTYJMPO-OAQYLSRUSA-N 480.617 1.458 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2[nH]c3ccc(Br)cc3c2Cl)CC1 1636475833 YZSPJSXPMSJWHZ-UHFFFAOYSA-N 459.753 1.809 30 10 JDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(Cc2nncn2C)CC1 1645999770 FECMMXIPZWBVBN-SFHVURJKSA-N 458.588 1.894 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2c(C)nc3c4ccccc4nn3c2C)CC1 1650846493 ZIDSMLIGTLKVTP-UHFFFAOYSA-N 454.556 1.044 30 10 JDEE CN(C)S(=O)(=O)N1CCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)CC1 1669880469 BJCNJDBVBIVYGF-UHFFFAOYSA-N 459.576 1.997 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cnn(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1689988274 LVOQJHLKJCCKGI-LJQANCHMSA-N 468.587 1.571 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689988379 NXPSCGGNDWPRCX-AVRDEDQJSA-N 458.588 1.693 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1689991297 ZKYYTRPZBJCJRE-QRVBRYPASA-N 474.583 1.885 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1690017672 JEDHPAIJLCOGNA-HXUWFJFHSA-N 498.628 1.960 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1C1CCCCC1 1690077469 PKOBUSPCDJNVAB-RTWAWAEBSA-N 478.663 1.868 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)cc2F)CC1 1690124008 CFJAVIUPHYYOQX-MRXNPFEDSA-N 451.955 1.776 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@]2(O)CCCC2(C)C)CC1 1690138177 UOXDUTQSAQJXRP-DQEYMECFSA-N 473.618 1.837 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(O)CCOC2)CC1 1690150581 MXHQJDWGVBUQTM-XMMPIXPASA-N 453.543 1.017 30 10 JDEE C#CCSCCn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690186203 MRIVRFFBDLYMAH-FQEVSTJZSA-N 456.634 1.699 30 10 JDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)on2)CC1 1690227817 HONINJCEOCYGLQ-OAHLLOKOSA-N 450.341 1.756 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1690430132 CXONYHFKOJIKRM-QGZVFWFLSA-N 472.594 1.589 30 10 JDEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690509846 LCNWRJVMJQBKRY-GOSISDBHSA-N 458.950 1.262 30 10 JDEE C=CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)N(C)C)C1CC1 1690544036 WTRLKLXWAPLKAL-UHFFFAOYSA-N 457.560 1.238 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1690659548 WHZAQFSGRROWIU-AWEZNQCLSA-N 459.517 1.572 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(CC(F)(F)F)CC1 1690661854 JEGMALPXWYALBS-UHFFFAOYSA-N 498.506 1.957 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCCS2(=O)=O)C1 1690692271 VLLKEWHHPZZNET-GOSISDBHSA-N 477.587 1.779 30 10 JDEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)COC)CC2)cn1 1698072249 IBKRCENISRQXSW-UHFFFAOYSA-N 464.530 1.003 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC2(N(C)C)CCOCC2)c1 1705508423 UZZBAJHMIWBKGA-UHFFFAOYSA-N 493.612 1.568 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 1705559949 CFCJPLJCIGMHCK-PGRDOPGGSA-N 480.537 1.883 30 10 JDEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(NC(=O)OC(C)(C)C)COC1)[C@H]1CCS(=O)(=O)C1 1705561656 VLULDYCBFCWBGD-IRXDYDNUSA-N 481.619 1.712 30 10 JDEE C=CCCCCn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705810224 RMDKHRMMYHQROI-XMMPIXPASA-N 476.622 1.848 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1705899872 JLKJHBWRSAWNRF-UHFFFAOYSA-N 453.532 1.349 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(CC)[C@H](C)C1 1705907582 QRWOHHWSYWZKOX-JOCHJYFZSA-N 480.661 1.475 30 10 JDEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1710969307 BMRJZYGRGIOUFU-SFHVURJKSA-N 489.602 1.812 30 10 JDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CCOC)C(=O)C1 1722327557 MMRACHXLKXXOHS-UHFFFAOYSA-N 473.603 1.255 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1722368602 TYLFKGQXNISKMW-VQTJNVASSA-N 471.583 1.207 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1722370341 NGOINCFEWAFCGC-FXAWDEMLSA-N 460.556 1.844 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1722376619 VVRWLTSSDZQRAJ-HSZRJFAPSA-N 481.603 1.999 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(F)cc2F)CC1 1722444438 JTTDJOUJINPJOB-CQSZACIVSA-N 480.541 1.181 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@H]2OC)CC1 1722445286 OMEJCGJFDPRMLE-FGZHOGPDSA-N 462.554 1.834 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1722445798 DFTXJEPFXATMQI-UHFFFAOYSA-N 489.527 1.532 30 10 JDEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722458623 PDYCDWWLHRLPRY-UHFFFAOYSA-N 477.660 1.855 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1722527317 GFVKDBFHAROYIM-OAQYLSRUSA-N 487.649 1.630 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1722697621 NIEXESPISPXFRI-UHFFFAOYSA-N 464.530 1.646 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1722699153 COCJLQCHYGOHCA-UHFFFAOYSA-N 454.575 1.679 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC1CCOCC1 1722867583 HAXMCTYGXMWEGJ-AEFFLSMTSA-N 454.597 1.414 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC(F)(F)C2)CC1 1729313719 CLRVITBTRMBDRZ-UHFFFAOYSA-N 473.528 1.984 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1740620992 ZAMYXACPUTUNDI-HNNXBMFYSA-N 482.404 1.588 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1740624204 DOBCTZLKFBOPCU-CVDCTZTESA-N 470.599 1.694 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCC(=O)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1740628197 OKBQRAPQFLVUMG-ZWKOTPCHSA-N 451.593 1.405 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740628348 PRPHIAJGLIVWKP-DCLXLUIPSA-N 488.610 1.641 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC(C)C)cc1 1740640199 JDJPBWNSZZOVQY-QFIPXVFZSA-N 485.610 1.767 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(Cl)cc2)CC1 1740691318 ZESSSKDLAKBJKK-MRXNPFEDSA-N 450.996 1.540 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC(=O)N(C)C)CC1 1740706186 QQMCOEXUMXZLBG-UHFFFAOYSA-N 461.526 1.654 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)NC)CC1 1740752912 CLXDFMWVCRONQA-QUCCMNQESA-N 488.614 1.791 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)C1 1740762871 WQYVKYPXFYLHQE-YRXWBPOGSA-N 453.609 1.829 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1740888132 PPNILKWBZLUYCA-LJQANCHMSA-N 467.636 1.856 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOC2(CCOCC2)C1 1740953301 BDYUWCLQOLIYBT-UHFFFAOYSA-N 475.571 1.037 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1740957650 VXJIOQAVXPPSNV-UHFFFAOYSA-N 484.992 1.835 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740994284 MIAWRLRGPFJEQP-UHFFFAOYSA-N 487.630 1.432 30 10 JDEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccn(C)n2)CC1 1746134535 BXQNDYOKMVTFSO-UHFFFAOYSA-N 475.601 1.783 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1748818300 ADJMYIRRZJUIFZ-URXFXBBRSA-N 483.569 1.937 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-c1cnn(C)c1 1748826178 OIBVGESYHATCIE-QGZVFWFLSA-N 451.556 1.410 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCS1 1748891587 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QPTBYEVUOCXMKZ-IBGZPJMESA-N 477.587 1.026 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)OC3(CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749740234 SMSIAXXZULMXQS-CVDCTZTESA-N 498.646 1.694 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1749850190 YLQYBFKZIBQDDY-VZCXRCSSSA-N 469.933 1.793 30 10 JDEE C[C@H]1[C@@H](C)SCCN1c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1752460771 CIVXXGMUISIUOK-LSDHHAIUSA-N 450.590 1.608 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2cccc(F)c2)CC1 1760117556 QGDXCXOQJFAADJ-VQIMIIECSA-N 461.563 1.940 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCO[C@H]2CCOC2)c1 1760129140 ZBRVJZNMMIGADC-PMACEKPBSA-N 466.542 1.481 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC(=O)Nc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1760188652 LKHFYLHVNCKZIB-GOSISDBHSA-N 479.566 1.617 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC)c1 1760220198 XOBQOAGIDNZULP-OAQYLSRUSA-N 471.583 1.521 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nncn1-c1ccccc1 1760290108 WQKYSMVPQGFZLL-IIBYNOLFSA-N 454.560 1.509 30 10 JDEE C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1760347530 IDSBRMIIVMBQQU-UHFFFAOYSA-N 451.535 1.385 30 10 JDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(=O)OC)C1 1760449370 ICHUMVCLSORYTG-MRXNPFEDSA-N 452.515 1.784 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760518878 KUKYDKGYAWFALY-XMMPIXPASA-N 465.558 1.624 30 10 JDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(NS(C)(=O)=O)CC1 1760526927 JSNSFFUWUVRZKF-UHFFFAOYSA-N 471.587 1.101 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(OCC)CCCC2)C1 1760542864 KYEYUTJKLQUJJB-OALUTQOASA-N 483.635 1.742 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1760552781 AOLFCIVSUPLFLX-LJQANCHMSA-N 477.612 1.821 30 10 JDEE CN(C)C(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)CCCC1 1766841819 BJDHZSDMWPIFPS-UHFFFAOYSA-N 456.572 1.700 30 10 JDEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1769067598 FAIQIAACKFMGGX-ICSRJNTNSA-N 474.587 1.625 30 10 JDEE CN1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1(C)C 1769076601 CYHSKGUCRSZXJZ-HXUWFJFHSA-N 450.591 1.544 30 10 JDEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)ON1C(=O)c2ccccc2C1=O 1772794931 OAPARQLIDMDCMI-QGZVFWFLSA-N 460.464 1.471 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CCCO)c(CN(C)C)cc2=O)nc1C 1870323543 WDQHJVMMQZVEBH-UHFFFAOYSA-N 464.544 1.418 30 10 JDEE CCN(CC)C(=O)CSc1nncn1/N=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1874534941 JZIISLTWSJDKIM-BUVRLJJBSA-N 476.603 1.840 30 10 JDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)CC1 1889823863 NABUGDKGRYFLNX-UHFFFAOYSA-N 463.629 1.502 30 10 JDEE CCNC(=O)N1CCC(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)CC1 1890555845 JTVIWMQLRSMBRM-UHFFFAOYSA-N 461.651 1.465 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 1963727600 MFRFANNWVCNAOX-PMACEKPBSA-N 476.599 1.647 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256623168 BKIQLKYQRHZECL-WFASDCNBSA-N 453.370 1.741 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](CO)C1 2267008010 CVMIQOFQPLAPBC-JKSUJKDBSA-N 450.341 1.927 30 10 JDEE Cn1ncc(C(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267014241 WGEHZPZZFFFASI-GOSISDBHSA-N 484.362 1.487 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267416802 AVFRKKHUTPRFMR-DLBZAZTESA-N 468.381 1.556 30 10 JDEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3COC[C@H]32)cc1B1OC(C)(C)C(C)(C)O1 2281968739 ZDROASQLZSVXOE-CVEARBPZSA-N 462.356 1.180 30 10 JDEE C[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)N1CCN(C(=O)OC(C)(C)C)CC1 2281980322 AUJLLTBJRWOKKZ-OAHLLOKOSA-N 463.388 1.380 30 10 JDEE CCn1cc(C(=O)N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282052343 MWJCQPPFFUBMQV-LSDHHAIUSA-N 464.372 1.302 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CCNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282184724 XCHBSESIYRHDDP-QFIPXVFZSA-N 462.356 1.268 30 10 JDEE C[C@H]1[C@H](C)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCN1C(=O)OC(C)(C)C 2282332116 WOOAHAMIUWSCJR-GJZGRUSLSA-N 484.428 1.738 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2282335432 POZQUULXUXDPGR-KDURUIRLSA-N 472.420 1.757 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2282519881 NREKMKOZGKPJJU-MSOLQXFVSA-N 459.352 1.841 30 10 JDEE CCc1nn(C)c(C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2282559407 PBPCRRMNWCUXFI-IBGZPJMESA-N 458.290 1.565 30 10 JDEE CCc1nn(C)c(C(=O)N(Cc2ccccc2)CC2(O)CNC2)c1B1OC(C)(C)C(C)(C)O1 2282560542 OJHFFKXLLZSVQS-UHFFFAOYSA-N 454.380 1.258 30 10 JDEE Cc1c(C(=O)N[C@H]2COCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592877 JHTBJZMEXZLNHD-OAHLLOKOSA-N 464.372 1.393 30 10 JDEE Cc1ccc(C(=O)NC(CO)(CO)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2282666550 XZEMFYNBFFOWMM-UHFFFAOYSA-N 464.368 1.272 30 10 JDEE COCC1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2282674292 ISLIDBUVSCDYQQ-UHFFFAOYSA-N 461.368 1.994 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCC1(C)CN(C(=O)OC(C)(C)C)C1 2282850844 UENMBWIQMVKTSX-UHFFFAOYSA-N 484.428 1.645 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H](O)C1 2284126955 UYWCGDOCCIZKRA-KSFYIVLOSA-N 482.408 1.396 30 10 JDEE Cn1cc(C(=O)NC[C@H]2C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2359278352 MKXWDEPWVLPMME-FVQBIDKESA-N 464.372 1.113 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](NC(=O)C(F)(F)F)CC[C@@H]2C)n1C 2362491275 BDMAYHNLEKWLBP-AAEUAGOBSA-N 458.290 1.699 30 10 JDEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)C(CO)(CO)NC(=O)OC(C)(C)C 2370318951 ZSMVHVULEBEKOW-UHFFFAOYSA-N 464.368 1.192 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N(CCC(N)=O)c3ccc(F)cc3)cc2C1=O 16115627 PEKMOGMBSDXDMV-UHFFFAOYSA-N 453.426 1.673 30 10 JDEE Nn1c(N/N=C/c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 20291892 UAONJJHBOCFHFM-UFFVCSGVSA-N 470.471 1.848 30 10 JDEE CCn1c(=O)c2ccccc2n2c(CN3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nnc12 31295011 PAWHMBQRTSZNGW-UHFFFAOYSA-N 477.550 1.442 30 10 JDEE CCCCCCCCCCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)C[C@@H]1NCCNC1=O 100020542 MVFHDRRXIONFLR-PMACEKPBSA-N 466.623 1.646 30 10 JDEE C=CCOc1ccc(-c2nc3sc(=C4C(=O)N(CC(N)=O)c5ccccc54)c(=O)n3n2)cc1 252476730 AKPOWWUGJYMAFE-UHFFFAOYSA-N 459.487 1.133 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 499767676 ULULLORNTFWUHA-IBGZPJMESA-N 496.545 1.215 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2nnnn2-c2ccccc2Br)CC1 609040029 RGBABORREZLGIO-UHFFFAOYSA-N 488.371 1.803 30 10 JDEE CN(C)CCc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 609086702 VESDEJFAOVNXAS-UHFFFAOYSA-N 469.567 1.134 30 10 JDEE C#CCN(C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1)[C@H]1CCS(=O)(=O)C1 729330351 BJEOELFFNPMQHM-SFHVURJKSA-N 468.597 1.522 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(NC(=O)OC(C)(C)C)c2C)CC1 1219493517 IRQHPKYHMHISRW-UHFFFAOYSA-N 451.549 1.959 30 10 JDEE C#CCC1(NC(=O)NCCc2ccc(OCCN3CCN(C(C)=O)CC3)cc2)CCOCC1 1221721362 FCRMGNGPMUBNSW-UHFFFAOYSA-N 456.587 1.644 30 10 JDEE CCOc1ccnc(N2CCCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2)n1 1233850788 DIEHQFBKOURKTE-SJORKVTESA-N 459.551 1.856 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccn2)CC1 1286321742 AHKBYPPHSBLEQX-LJQANCHMSA-N 473.603 1.136 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1286389200 ZAOIBGLACUFNGB-NFBKMPQASA-N 484.651 1.881 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1286394267 HYRASTXKEPVPKB-LJQANCHMSA-N 471.583 1.403 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNC(=O)c1ccco1 1286463439 GLDBHZHIPORKLJ-UHFFFAOYSA-N 451.483 1.825 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCNC(=O)C2CC2)CC1 1286491192 IMIRSZCEFHOBOM-UHFFFAOYSA-N 452.534 1.500 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286499007 HKEOILDLEILAQC-MRXNPFEDSA-N 450.586 1.952 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCOCC)CC1 1286629392 LLQFDVSZDUQQIN-QGZVFWFLSA-N 474.027 1.692 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nc3cc(OC)ccc3n2C)CC1 1286637325 BMCBJGYQEKSNEQ-OAHLLOKOSA-N 459.576 1.988 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCS(=O)(=O)CC1)C(C)C 1286751499 QPHYPIVJPWOCLP-LJQANCHMSA-N 464.636 1.448 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1286792085 LVIXDUZIYFWRLX-LJQANCHMSA-N 460.542 1.833 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CC)[C@@H](C)C1 1286819145 BMGFIGDUUJGMBG-SFHVURJKSA-N 499.641 1.806 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1286820064 DEFHGGUIJBTHOX-DLBZAZTESA-N 465.551 1.965 30 10 JDEE C#CCN(c1nnc(CC)n1CC[C@H](N1CCOCC1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300499587 VKHTWRDVLYOOFD-HOTGVXAUSA-N 463.526 1.120 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1300705942 FIYYXTOJSINVTG-JOCHJYFZSA-N 454.623 1.252 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2nccnc2C)CC1 1300731303 NLUYYSRITRFNRQ-UHFFFAOYSA-N 492.609 1.577 30 10 JDEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1300767789 GAVJZBCANKLGRO-UHFFFAOYSA-N 468.627 1.603 30 10 JDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(CCN(C)C)CC1)C1CC1 1301327529 UZMPMIPVMUKVGT-IBGZPJMESA-N 450.653 1.609 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)coc1C 1301424536 LUTRFXIFIHLUET-GOSISDBHSA-N 453.565 1.508 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1301436274 YNMINJCWJDOPLO-UHFFFAOYSA-N 478.582 1.975 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(Cc2cc(C)no2)CC1 1301485598 ZCFACYJCUNWCME-UHFFFAOYSA-N 499.597 1.269 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1301513871 BBEJCYDBSCVGHQ-LJQANCHMSA-N 465.558 1.772 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1301596815 ZNHUAXUDTHNCOP-BRWVUGGUSA-N 474.649 1.421 30 10 JDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1313557133 CLEXLVWTZIXOPE-GOSISDBHSA-N 467.574 1.900 30 10 JDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1358904053 SFNIRGVRHUYJAU-SFHVURJKSA-N 452.563 1.715 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358963566 KHKUABANXJIVCX-MHTWAQMVSA-N 463.648 1.777 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1Cc1ccccc1 1358969813 XLIXEGWNIXWIHT-CTNGQTDRSA-N 454.600 1.626 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(F)ccc1N1CCOCC1 1358992312 IHPCRHLRDLCKGJ-FQEVSTJZSA-N 450.518 1.716 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H](C)CN2CCOCC2)CC1 1359031031 OBLGDFAPLXBYTI-FQEVSTJZSA-N 498.628 1.694 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1359031095 PRVRZRQNHFMWBX-MRXNPFEDSA-N 478.416 1.898 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2nc(C(F)(F)F)cs2)CC1 1359036049 LKAFRNIQBMMQGD-AWEZNQCLSA-N 488.561 1.653 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1359038971 RUXNDHLZYVRMIA-WCWDXBQESA-N 475.553 1.447 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCCN2CCC)CC1 1359044910 RKFSHYLKDVCLQK-VQTJNVASSA-N 455.607 1.460 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1359297618 WIWCRKFPKNCNDM-SFHVURJKSA-N 451.531 1.666 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1359329194 BLDSUJURZBLDAH-GAJHUEQPSA-N 492.598 1.947 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)[C@H](C#N)C1 1445368231 GCXJMMRRPRGOTM-CYBMUJFWSA-N 458.487 1.605 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CCO)Cc2cnn(Cc3ccccc3)c2)c1 1446324627 RWMXSURTYNGUEC-UHFFFAOYSA-N 452.536 1.478 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1507627391 SRDVJCJIRNIXLA-IBGZPJMESA-N 454.556 1.786 30 10 JDEE C#CCN(c1nnc(C2CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507632189 YAGKKPXICCVHAR-OAHLLOKOSA-N 473.546 1.942 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1507640374 QRBUBXCBIGZALO-NMEJYPJZSA-N 480.587 1.534 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(NC(C)=O)nc1 1507665316 VFCXGBHJUVZKGZ-UHFFFAOYSA-N 466.509 1.785 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCOCC2)c1 1507669389 LITJLOQHJSHIGD-HXUWFJFHSA-N 483.594 1.644 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Oc2ccccc2)CC1 1507733352 VOJVJFAEQPVTPH-LJQANCHMSA-N 464.570 1.947 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)CCCS(C)(=O)=O 1507797681 DZFNGCDQXGFPGL-HNAYVOBHSA-N 465.576 1.858 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CS(C)(=O)=O)cc1 1508420871 AVRXIGSCNWCVKB-CRAIPNDOSA-N 465.601 1.369 30 10 JDEE COCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CCOCC1 1518794200 BOFXCZIERCXBGY-SFHVURJKSA-N 451.593 1.753 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2noc(C)n2)CC1 1539052598 GWGDOISIWAOACO-INIZCTEOSA-N 464.596 1.096 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1539205176 GCFVDJPOVCXRMT-WMZHIEFXSA-N 474.583 1.505 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1539211654 JSZOBJVKVRHXCG-SFHVURJKSA-N 467.580 1.846 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1cccc(C(F)(F)F)n1 1539265462 GGZDVVCLMTVCGO-OAHLLOKOSA-N 467.473 1.746 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@@H]1C(=C)C 1539325995 QJHZFNVVVNZPAI-HSALFYBXSA-N 461.588 1.055 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@@]2(C)COCCO2)n1 1539424956 ZUDUSOIKJYPOOO-XXBNENTESA-N 458.563 1.460 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCS(=O)(=O)N(C)C)CC1 1539436120 KDDZXHKJYJGXMA-UHFFFAOYSA-N 466.995 1.254 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1539489643 VJLMXCVVXHGLNQ-UGKGYDQZSA-N 456.591 1.427 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1540019769 MSYKMQNEERGNCK-FQEVSTJZSA-N 457.579 1.826 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)Nc2ccc(F)cc2)C1 1540883341 YDVBGIDHFUUGLD-YOEHRIQHSA-N 466.539 1.447 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1540902011 XSYOZLDPABVRQN-SFHVURJKSA-N 489.646 1.754 30 10 JDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCN(C)CC(F)(F)F 1543504748 AJLUDTYWQOTRTI-OAHLLOKOSA-N 465.480 1.890 30 10 JDEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1547831233 AIAYLUITXJPXLV-FQEVSTJZSA-N 456.547 1.885 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccncc2)n1C[C@@]1(O)CCN(C)C1 1555545004 ARYQHNBPCJJKSD-RUZDIDTESA-N 461.570 1.855 30 10 JDEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1555807702 ALGOPALJGPUCQI-UHFFFAOYSA-N 487.586 1.111 30 10 JDEE CS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 1555814839 GFEPBLAHKXOHDK-ICSRJNTNSA-N 488.614 1.798 30 10 JDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 1564790048 GBDLEWSMQBKNLM-WBVHZDCISA-N 454.505 1.353 30 10 JDEE N#Cc1cccc([C@@H]2CN(C(=O)c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)CCO2)c1 1567193760 AXABSMOZGHHCNG-FQEVSTJZSA-N 459.499 1.932 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN(CC)S(C)(=O)=O 1587638515 FRRLFMBREVGAKW-QZTJIDSGSA-N 498.650 1.716 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCN2CCCS2(=O)=O)c1 1587683809 OKALDLDFIUXDDZ-UHFFFAOYSA-N 458.588 1.667 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCCO[C@@H](C)C2)c1 1587692734 JXKHEMNCZDDRCQ-UGKGYDQZSA-N 493.612 1.786 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@H]2C1 1587860984 DQLDNXLXYCSBHY-MOPGFXCFSA-N 460.579 1.521 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1588039605 ARNQLRKJFCUZTF-OKZBNKHCSA-N 479.990 1.672 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588051002 ZDMWUEMRVICDNU-IAGOWNOFSA-N 489.602 1.617 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC[C@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1588075061 WQUAIBXYOGRNFR-RUIUOMPFSA-N 480.631 1.977 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCN(C)C1 1588472410 FQUAQVPDCQYNJB-RPWUZVMVSA-N 457.550 1.776 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(CC)CCC2)CC1 1588891081 LELVNCLWXXHECH-INIZCTEOSA-N 450.609 1.434 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1589007346 LUDXHIUOJVJPKA-INIZCTEOSA-N 497.668 1.185 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1594192486 JJOSIJPKRKXTSX-NVXWUHKLSA-N 494.584 1.944 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)C)CC1 1594627062 QZIJXTKTVDUIPA-IBGZPJMESA-N 454.641 1.888 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)O 1595239686 QDYHAMWAQOAPOB-IBGZPJMESA-N 463.604 1.617 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1595562146 OYYZJAWYIYWEGV-UHFFFAOYSA-N 478.644 1.874 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1595798216 NPVRAZZHLQXJNI-MSOLQXFVSA-N 451.593 1.364 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1595811778 AJGUSGVJOPZGFA-JPYJTQIMSA-N 476.599 1.863 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1Br 1656665947 GVAHGCPPFYFWLN-UHFFFAOYSA-N 455.378 1.815 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3nccnc3c2Br)CC1 1671236064 PCZIOOSKRKEASY-UHFFFAOYSA-N 453.322 1.009 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689977709 AZJLMTPDGWLSHQ-GOSISDBHSA-N 459.572 1.294 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1689982703 SGZZGGMIFCXASK-BJLXPSRBSA-N 462.597 1.492 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1689994315 WBNWQOHPYHEJAW-IBGZPJMESA-N 451.662 1.686 30 10 JDEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690106335 RKLRFALAPALWJH-QFIPXVFZSA-N 462.572 1.110 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)C2CC2)CC1 1690236224 KACSQOBYLPXZIN-IEZWGBDMSA-N 480.635 1.365 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CCOC)[C@H](C)C1 1690278928 WFTWDMFFAOHULY-GOSISDBHSA-N 462.620 1.928 30 10 JDEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(=O)N(C)C[C@H]1C 1690311053 BQSVDZZLQIBGBR-GOSISDBHSA-N 454.579 1.712 30 10 JDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1690481877 RXQVGVAAUFODGQ-AQNXPRMDSA-N 457.623 1.822 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cccc(Cl)c1 1690526891 FPIBBZLGDXTEKL-FXAWDEMLSA-N 469.995 1.794 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1690644423 JYZMSSLRTKDSAO-QUCCMNQESA-N 488.614 1.443 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(C(=O)NC)CC1 1690663548 ZQLLIGXCWBNZTM-UHFFFAOYSA-N 492.378 1.480 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690676924 ITVKEYGATKZMEL-UHFFFAOYSA-N 497.669 1.925 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1690677302 UBICAWPBAMJQLW-KRWDZBQOSA-N 492.577 1.303 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690723314 NMJLPURUYJEBAC-QFIPXVFZSA-N 487.586 1.064 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1690726946 QVZMYKPWHYXKMU-QRWLVFNGSA-N 467.617 1.619 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CN2CCCCC2)C1 1690747235 WRAIBBBNUUNJGI-WOJBJXKFSA-N 498.719 1.842 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1690770281 ATBVHMPNMVATCX-LSDHQDQOSA-N 455.563 1.909 30 10 JDEE CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1698305523 ARLOCFGBDUWIPT-UHFFFAOYSA-N 486.598 1.658 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705567239 UZJMVBOPJNSQHK-KBPBESRZSA-N 482.550 1.395 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(C)C)cs1 1705598635 NDYDUDAXMDGUFO-SFHVURJKSA-N 476.628 1.702 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(OC)ccc2OC(F)F)CC1 1705631763 PKKINKDFULSMMJ-UHFFFAOYSA-N 474.512 1.928 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1705636749 WIXGFVBLPWVRJU-IBGZPJMESA-N 495.584 1.484 30 10 JDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705892480 JVZBYUKWZFUIGW-TZIWHRDSSA-N 454.575 1.189 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1705906565 JABKGAGSXXFHGI-GOSISDBHSA-N 456.522 1.890 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCN(c2nccs2)CC1 1705907556 QCOSZINDRNLGKD-UHFFFAOYSA-N 486.627 1.745 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CC1 1711073591 AIPUJBAESAMGFL-DENIHFKCSA-N 474.587 1.280 30 10 JDEE CO[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)C(C)C 1711539559 GUZKISBEBIVVLT-PKOBYXMFSA-N 467.578 1.562 30 10 JDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CCS(=O)(=O)N1CCSCC1 1722362145 LMOLDRGBHWDMOX-UHFFFAOYSA-N 465.601 1.314 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1722362880 CTSCPQYVIRXDCG-OXJNMPFZSA-N 450.586 1.667 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722370518 BYIAVDVVGNSJSK-OAQYLSRUSA-N 484.626 1.554 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCO[C@H]1CCOC1 1722380147 FXMQUXJHSVQWLU-IBGZPJMESA-N 460.538 1.943 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc(NC(=O)OC)c2)CC1 1722432558 YGMRLXNWETZJLG-SFHVURJKSA-N 456.547 1.984 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccccc2)CC1 1722697997 AXXWEGOFKULAPN-FQEVSTJZSA-N 488.614 1.297 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(N(C)C)Cc2ccccc2C1 1723933628 GHAIGRHJTSQQDT-HRAATJIYSA-N 475.594 1.429 30 10 JDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(OC)C2CC2)CC1 1730420399 GKHGQLWJURZBHW-XMMPIXPASA-N 468.558 1.839 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1([S@@](C)=O)CC1 1740632436 JJGGIGGWTPPBTA-WJOKGBTCSA-N 458.613 1.531 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1740717829 BCALHMXRDFNWOH-AWEZNQCLSA-N 483.566 1.900 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCC)c1 1740731240 SKDCJXCLZQMJRW-AUSIDOKSSA-N 455.584 1.970 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1740750705 TWTAEXRPVOPCIS-IRLDBZIGSA-N 487.649 1.486 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1740764792 YSBMKSCPFKECBZ-DSKINZAPSA-N 460.604 1.956 30 10 JDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1740946633 DTYYNCDNSKUYDR-IPMKNSEASA-N 464.636 1.183 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1740950892 LURTXLSVIJKZEE-UHFFFAOYSA-N 495.584 1.064 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1740954304 IGESFYXTLKPNOM-KRWDZBQOSA-N 461.364 1.531 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1740964038 FSDQISBETYMWIY-QGZVFWFLSA-N 454.531 1.369 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](COC)C1 1740995281 GXBHYEXXNDPAOC-KZNAEPCWSA-N 456.609 1.649 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)N1CCSCC1 1748667436 UHTWWNJBZVYZLC-HNNXBMFYSA-N 487.611 1.430 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCN(CC)CC1 1748670749 BIAWYNYNMOQZCW-NRFANRHFSA-N 465.650 1.938 30 10 JDEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1748703528 RZFRENFQTQJONP-UHFFFAOYSA-N 480.569 1.265 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748808396 KTWAWUUIJKXQBN-FXAWDEMLSA-N 478.018 1.946 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1748810648 ZBSVMGRGEYUKPQ-PKOBYXMFSA-N 491.017 1.879 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(CN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1748822167 ZFYHVOLYVIVVDK-QHCPKHFHSA-N 495.653 1.876 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccc(C)cc1 1748864492 YBHJFJNTNSWFFE-GOSISDBHSA-N 456.572 1.090 30 10 JDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1748995125 YBEDADBIDUHXIC-UHFFFAOYSA-N 465.646 1.681 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(C)n2)CC1 1749014280 GUUYINIOEYJYSD-IBGZPJMESA-N 470.599 1.092 30 10 JDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CS(C)(=O)=O 1749098308 WBEHBVACATZTFE-LLVKDONJSA-N 460.354 1.784 30 10 JDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1749676736 BIKBZGMJDRJFBE-UHFFFAOYSA-N 452.559 1.780 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1749721510 MJJXUYIRDSOIGQ-UHFFFAOYSA-N 488.614 1.872 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(F)(F)F 1749731009 YWTDCLDZIMNRDN-UHFFFAOYSA-N 470.477 1.791 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2CCC2(O)CCC2)C1 1750209501 HQVWHLUDDOCKHD-KRWDZBQOSA-N 452.581 1.046 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1760182847 JUAYXNBZLHBIEB-LJQANCHMSA-N 469.527 1.456 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)CN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1760184292 IMNMUNFYKHYCHG-NHCUHLMSSA-N 485.658 1.240 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1760223977 SOKCMPUHJUHIMK-UHFFFAOYSA-N 470.595 1.877 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc3c(c2)OCCO3)CC1 1760252180 NCQYXGATIFHOLT-UHFFFAOYSA-N 452.559 1.771 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H](C)OC)CC1 1760266588 FHDUJMREXNAYFW-INIZCTEOSA-N 471.558 1.972 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCNS(=O)(=O)CC)CC1 1760268445 JYPDTLINMJIXEE-UHFFFAOYSA-N 497.625 1.342 30 10 JDEE C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760344182 CDPDGAAUAQJKFQ-QGZVFWFLSA-N 454.531 1.466 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)CCC(C)C)CC1 1760389684 QUMCBQZNNNBFNM-RXVVDRJESA-N 455.625 1.955 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1760510067 FELQSNVWNXQULN-XHSDSOJGSA-N 470.596 1.146 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760515675 FTSVIWGJAMJVKE-OALUTQOASA-N 467.574 1.893 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1760520634 VDTLOWPUUSKQQM-UHFFFAOYSA-N 483.592 1.911 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1760527172 ZXDRNFHMYYATHE-UHFFFAOYSA-N 461.588 1.871 30 10 JDEE COCCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3-c3ccc(NC(C)=O)cc3)cc2C1=O 1870141743 INFLZCBCZIZIKL-UHFFFAOYSA-N 487.476 1.982 30 10 JDEE C#CCOc1cn(C[C@H](C)O)c(CNc2ccc(C(=O)NCCN(CC)CC)cc2)cc1=O 1871008191 LGIACDHSYKICTR-IBGZPJMESA-N 454.571 1.925 30 10 JDEE C=CCNC(=O)c1nc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cs1 1890366916 BFKGSZOKPZYTSY-UHFFFAOYSA-N 473.643 1.710 30 10 JDEE CN(C(=O)c1ccc(CNS(=O)(=O)c2cccc(F)c2)cc1)C1CN(c2nccnc2C#N)C1 1891806844 VPJAFTHFXHHQIS-UHFFFAOYSA-N 480.525 1.927 30 10 JDEE C#CCNC(=O)CCNC(=O)c1cc(I)cc(I)c1O 2188604477 PJPUDZPHACZYBP-UHFFFAOYSA-N 498.058 1.471 30 10 JDEE C=C(CCNC(=O)OC(C)(C)C)CNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2244230042 XEOYXFBUTUWDBA-QGZVFWFLSA-N 485.559 1.756 30 10 JDEE C=C(CS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO)B1OC(C)(C)C(C)(C)O1 2255794132 HTMOTVAEXJHTHJ-HZPDHXFCSA-N 460.402 1.711 30 10 JDEE COCC[C@@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267608494 WYKMZVXPRDLFJZ-AWEZNQCLSA-N 450.345 1.435 30 10 JDEE Cc1nc(S(=O)(=O)N[C@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282501854 CKBWRZFBYFTGLQ-ZFWWWQNUSA-N 484.428 1.704 30 10 JDEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NCC1(C(N)=O)CN(C(=O)OC(C)(C)C)C1 2282661634 PUUFQOADKYKTJJ-UHFFFAOYSA-N 479.408 1.808 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)CC1(C)C 2282679578 BLUWRAPSBWPMOT-CQSZACIVSA-N 463.388 1.880 30 10 JDEE C[C@@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCN1C(=O)OC(C)(C)C 2282855107 ZJLAMWLAVWORRU-OAHLLOKOSA-N 484.428 1.739 30 10 JDEE COc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1O 2325917952 GUMIATLXKXXKGX-QGZVFWFLSA-N 480.550 1.968 30 10 JDEE COc1[nH]c(=NCCN2CCN(C(=O)OC(C)(C)C)CC2)ccc1B1OC(C)(C)C(C)(C)O1 2365343597 BRBKBAGEFVZURG-UHFFFAOYSA-N 462.400 1.776 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1-c1ccccc1C 592993773 MGKBGZHHEKYTOL-UHFFFAOYSA-N 486.532 1.733 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCOCC2(C)C)c1 1286309156 HQXZUFBKQHRQLI-FQEVSTJZSA-N 479.585 1.396 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)cc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1286384272 HCFXMVAZCLFACQ-RTBURBONSA-N 493.655 1.489 30 10 JDEE C#CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1286390722 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UWEMXRAZAIXSFV-UHFFFAOYSA-N 492.624 1.701 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1286496706 UOANZSQEPJETBO-TXPKVOOTSA-N 457.622 1.029 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC(=O)N(C)C[C@H]1C 1286782215 OJUPETMEXYLNEE-CYBMUJFWSA-N 477.363 1.685 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccnc(SC)c2)C1 1286801162 WWBVPJWAPJDALY-HOCLYGCPSA-N 452.606 1.835 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)N2CCC(C)CC2)C1 1286808699 DRMOQLZUZMIMNZ-PWRODBHTSA-N 496.678 1.513 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1286818651 LUKVZEDCUYALTH-UHFFFAOYSA-N 481.582 1.688 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(F)(F)F)CC1 1286819397 JIHMHERSGWRKQD-UHFFFAOYSA-N 490.508 1.291 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1286821639 RCOYBCXMFAKRKC-DLBZAZTESA-N 468.482 1.862 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCO[C@H]2C)c1 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469.634 1.985 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1540854781 CSJMEVBWPJNFFI-MJGOQNOKSA-N 490.630 1.749 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(CCO)Cc1ccc(Br)s1 1540868724 PDNHEOCSIHGQRI-UHFFFAOYSA-N 478.376 1.860 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1540871183 GDDDYDZXYRGOKD-OIISXLGYSA-N 465.601 1.510 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCS(=O)(=O)N(C)C)C1 1540889479 NIXXVVRAEBGKHN-HXUWFJFHSA-N 471.587 1.804 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](C(=O)NC)C2)nnc1C1(c2ccccc2)CCC1 1540908935 SBHRRZHLGMXDFT-IBGZPJMESA-N 473.599 1.300 30 10 JDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1)N(C)C 1541837503 BRGARQCTBRBIOJ-GOSISDBHSA-N 452.563 1.341 30 10 JDEE C[C@H](CN1CCOCC1)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1541880056 FSMXGJNDSSOSKY-NQIIRXRSSA-N 472.615 1.657 30 10 JDEE COCCN1C[C@H](Cn2c(N3CCN(c4nccnc4C#N)C[C@H]3C)nnc2C(C)(C)C)CC1=O 1555576169 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C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1588761917 BXEUALQOHYJONS-HNNXBMFYSA-N 496.435 1.072 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1588865634 ZFBWNQVOEZSUJM-UHFFFAOYSA-N 498.634 1.477 30 10 JDEE C#CCSCCn1c(N2CCN(CC(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1589125754 QFADRLIEPQEGSX-QHCPKHFHSA-N 476.647 1.041 30 10 JDEE C#CCSCCn1c(N2CCS(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1589125892 RPIMFKPBTCWXQB-IYBDPMFKSA-N 453.634 1.984 30 10 JDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1589484930 WEUHFZRFXNBWHI-ZNMIVQPWSA-N 455.357 1.467 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1589708095 AKPNACNCUYGMCC-JENIJYKNSA-N 464.640 1.717 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1594626905 QEJFVLYUZMOWDA-WJFTUGDTSA-N 453.609 1.686 30 10 JDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2nc(C)ns2)CC1 1594825358 YFXYYHICTOGRMH-UHFFFAOYSA-N 460.608 1.870 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccsc1 1595218375 IUCQOJNFSCNPEU-PXNSSMCTSA-N 467.617 1.759 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1595561934 HYDFYXXPNMCRDY-UHFFFAOYSA-N 471.631 1.367 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1611710610 BYATZMWHKKZNAL-REWJHTLYSA-N 450.487 1.911 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCC[C@H](O)C3)CC2)c1C#N 1612469441 AGZOHFYZDVWUSY-ROUUACIJSA-N 469.594 1.208 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1619899676 FICIODXNQGENPJ-NFBKMPQASA-N 489.598 1.594 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)[C@@H](C#N)C1 1621714827 FIHSQMBQYSJWJO-SFHVURJKSA-N 456.547 1.482 30 10 JDEE N#Cc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)CC2)cc1 1642565250 GJIWXCHJMPOLEH-OAQYLSRUSA-N 454.552 1.978 30 10 JDEE C#CC1(O)CCN(CC(=O)NCCN2C(=O)S/C(=C\c3ccc(OCC)cc3)C2=O)CC1 1647863625 LBHBLDASVPMDGM-CYVLTUHYSA-N 457.552 1.698 30 10 JDEE C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 1659156291 HMLCQEFDBYVWQC-GFCCVEGCSA-N 455.389 1.636 30 10 JDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)C1CCCC1 1683688435 CQJFMDMIIAIIFW-ROUUACIJSA-N 450.565 1.071 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CCCCC1 1689853227 QGFNAEUXTXGDGS-MDKPJZGXSA-N 453.609 1.400 30 10 JDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1689873747 VQCBECCVHNYPAG-UHFFFAOYSA-N 450.547 1.138 30 10 JDEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1689877322 WJLAKICRUAYGOT-OAQYLSRUSA-N 461.574 1.959 30 10 JDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1689920997 QLCFKDQJCRRHHY-UHFFFAOYSA-N 483.602 1.632 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2cccc(Cl)c2n1C 1689965816 DLCGBBKSROLUPU-MRXNPFEDSA-N 477.978 1.269 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1689978201 OUUWULZTNTVXAH-LJQANCHMSA-N 471.583 1.392 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1689982799 UXBDSVGSUMBFCL-NFBKMPQASA-N 474.583 1.098 30 10 JDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1689990336 NTNCDKYZLJXPED-VFAWWKHDSA-N 478.596 1.186 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCS(=O)(=O)CC1 1690019455 JDXSOUNBCINZAZ-LJQANCHMSA-N 491.614 1.484 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1 1690139694 XRMWXLZBBSCRBI-UHFFFAOYSA-N 475.553 1.031 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1690696344 AOYSDBCIELKERK-UHOSZYNNSA-N 456.522 1.494 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1690723201 LARKYMXJJQPFGV-ROUUACIJSA-N 481.525 1.686 30 10 JDEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1696318788 BTCBCNAEEUGMBT-HXUWFJFHSA-N 487.630 1.827 30 10 JDEE COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](OC)C2)CC1=O 1698077970 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1705903475 WTMZUYXFBQMYMN-CYBMUJFWSA-N 451.499 1.323 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C)C(C)(C)C2)CC1 1710329383 AUVZSSYEJVOXHJ-UHFFFAOYSA-N 493.660 1.101 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1CCS(=O)(=O)CC1CC1)[C@H]1CCS(=O)(=O)C1 1722370636 DBXZEZVRIWBPMU-IBGZPJMESA-N 468.645 1.462 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCS(=O)(=O)C1 1722388209 RFCMJIKXUKIFFF-MSOLQXFVSA-N 461.588 1.858 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC1(O)CCOCC1 1722405486 DAJSHMDICILVAV-UHFFFAOYSA-N 461.588 1.587 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(=O)N(C)C)c1 1722418944 JBBOFLNYXCZRQS-UHFFFAOYSA-N 461.526 1.762 30 10 JDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCCN2CCC(O)CC2)CC1 1722442479 SVANTXVXZYNBGW-UHFFFAOYSA-N 452.603 1.768 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCC(=O)N[C@@H](C)CC)CC1 1722445857 ZADQNCVQZZKMDR-KRWDZBQOSA-N 480.569 1.944 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(cccc2OC)C1 1722460899 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C=CCS(=O)(=O)CCn1c(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)nnc1C(C)(C)C 1722732211 WGVMBZIWXJFBLD-GOSISDBHSA-N 480.679 1.746 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740622278 WTODLZSLYJLLJR-ROUUACIJSA-N 452.540 1.829 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(O)CCCCCC1)[C@H]1CCS(=O)(=O)C1 1740628627 ZEOJUOBHMNFILE-MOPGFXCFSA-N 450.605 1.884 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(O)CCN(C)C1 1740631866 XWHCDNPRZGQWCD-NRFANRHFSA-N 458.360 1.856 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2[nH]c(C)cc2c1 1740686050 NWSWGUGZLSSHBN-NRFANRHFSA-N 486.598 1.535 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1740708463 QOXMVJHLRNYHBL-NFBKMPQASA-N 470.618 1.818 30 10 JDEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740867270 CUGHRNDKPBBSGR-GOSISDBHSA-N 451.531 1.260 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1740875545 FKTBKWVMYNLWLL-KNQAVFIVSA-N 479.578 1.814 30 10 JDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740883295 PJNNVTGSVQOQSB-UHFFFAOYSA-N 453.547 1.204 30 10 JDEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740884087 PFWSWFWOBIORSR-QGZVFWFLSA-N 489.374 1.447 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)c(F)c1F 1740900584 SHLPCWSCZCGDRB-HNNXBMFYSA-N 459.494 1.893 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1740944244 ZXAKMEYLUPZYNQ-CABCVRRESA-N 455.606 1.639 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1740953590 LIIPNDLLZXIDPR-UHFFFAOYSA-N 461.526 1.613 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740960809 BULJPKOFSKNYSI-HSZRJFAPSA-N 469.521 1.125 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1740985371 GLOBWDUDTRYAOV-KKSFZXQISA-N 469.608 1.182 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1740987722 LHWSAPHNPUZRHV-OAHLLOKOSA-N 493.586 1.239 30 10 JDEE CCN1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 1746459299 CNDOSFLSHPEFKT-UGKGYDQZSA-N 485.658 1.714 30 10 JDEE CN(C)[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CCSC1 1747566973 ATUGLSSIBBGABG-SIKLNZKXSA-N 490.655 1.789 30 10 JDEE CNC(=O)C(C)(C)Cn1c(-c2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1748080595 BWJLSIBIVGKVSM-UHFFFAOYSA-N 462.562 1.353 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1748651907 SZAMODNEDDHVRN-IRXDYDNUSA-N 459.572 1.301 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCC(=O)N(C)C)c1 1748692721 MNUGNNAXHNPULV-GOSISDBHSA-N 451.531 1.154 30 10 JDEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1748800655 ZIKMZEWRJHDZMI-SFHVURJKSA-N 459.355 1.783 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1748805788 WFXFLWYWHLLNFG-OAHLLOKOSA-N 492.403 1.753 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC[C@@H](F)C1)[C@H]1CCS(=O)(=O)C1 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1750075727 HHFFYFYDTDNXJD-NQIIRXRSSA-N 472.615 1.657 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1760181172 QOROANUNIHAFRH-HKUYNNGSSA-N 487.561 1.866 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1760183978 FSVMQLLJCTYNAG-HXUWFJFHSA-N 468.583 1.947 30 10 JDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1760211100 AROBHOOXKZFSDP-DEOSSOPVSA-N 470.595 1.986 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(C)(C)C(=O)NC)CC1 1760259974 JMLBVOILDNRWTB-UHFFFAOYSA-N 476.585 1.202 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(F)c(COC)c2)CC1 1760268615 MSJYEJYCGMTIPH-FQEVSTJZSA-N 468.533 1.529 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1760281637 PFMUMZPIXMABCS-FHWLQOOXSA-N 467.661 1.994 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1760300741 KYKWRRVNPUOFAM-KBPBESRZSA-N 462.414 1.928 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCS(=O)(=O)CC 1760312570 AICHQKXYULVQMP-SJLPKXTDSA-N 462.576 1.778 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1760495394 NCWKVMQBPWTGKU-AQNXPRMDSA-N 466.652 1.910 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(OC)cc1)C1CC1 1760522797 ZAODDDJEVJXNJL-KRWDZBQOSA-N 459.572 1.660 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1768526031 BHCCLFAGBRUZBC-UHFFFAOYSA-N 494.581 1.066 30 10 JDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)C[C@H](C)O1 1769490506 DSHBTXBZOHVEEU-QFBILLFUSA-N 459.572 1.882 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C)c1 1771111963 BTSVFFBPLMQTRI-LJQANCHMSA-N 462.576 1.334 30 10 JDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862759419 RGGXJDJNMCBEPK-GOSISDBHSA-N 470.394 1.923 30 10 JDEE C=CCOc1ccccc1[C@H]1C(C(=O)N(CC)CCCC)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865730585 CQLPTORQVHSQCW-SFHVURJKSA-N 468.554 1.992 30 10 JDEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCC(C)CC2)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865734175 IDQDTCCCTGDGGV-GOSISDBHSA-N 466.538 1.602 30 10 JDEE O=C(NCCN1C(=O)CSC1=O)[C@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933163 AJEWZHHNPRSDRB-INIZCTEOSA-N 490.538 1.287 30 10 JDEE C#CC[C@H]1NC(=O)CC2(CCN(Cc3ccc(F)c(F)c3)CC2)NC(=O)c2c(C)noc2CNC1=O 2080500600 JELVYRPUWIFFOD-LJQANCHMSA-N 499.518 1.554 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CO1 2255794875 CUNOICCRQVVVGO-LBPRGKRZSA-N 475.398 1.413 30 10 JDEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2255836690 COULYEXFXGTRJL-UHFFFAOYSA-N 453.370 1.402 30 10 JDEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255949410 YAQBDIHNLBGGHO-LJQANCHMSA-N 476.426 1.601 30 10 JDEE CN1CCN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)OC(C)(C)C)C1 2267171306 IHUYWBNIUULPJK-AWEZNQCLSA-N 466.413 1.723 30 10 JDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267182407 GFCUKBULAQKPRV-UKRRQHHQSA-N 450.345 1.083 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)n1 2267411638 BQJVVYVQUACBDF-HDJSIYSDSA-N 470.401 1.301 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CO)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267463835 CLTZNKNGDIQKFZ-CQSZACIVSA-N 490.815 1.803 30 10 JDEE C[C@@H](C[S@](C)(=O)=NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267512565 HHMIFZCSTLCKEX-PVDMYPHGSA-N 470.401 1.871 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2267613033 SEWLCTVGIYRWAK-GFCCVEGCSA-N 460.262 1.961 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](O)(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2267711185 HOYGDLNRENVCKT-FQEVSTJZSA-N 488.437 1.698 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2N(C(=O)OC(C)(C)C)CCC2(C)C)n1 2281946062 YHAIYWRYQQYNSL-AWEZNQCLSA-N 463.388 1.880 30 10 JDEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCO1 2282035109 QTHPLKSBMQYPKQ-GOEBONIOSA-N 464.372 1.474 30 10 JDEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282042986 HBPFSXVULJXJKM-XHSDSOJGSA-N 464.372 1.520 30 10 JDEE Cc1nc(S(=O)(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282414597 VFSJKPMIPWSGHD-UKRRQHHQSA-N 484.428 1.561 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)n1 2282496936 JKJOUDHJPZYRSX-SQWLQELKSA-N 482.412 1.253 30 10 JDEE Cc1nn(C)c(C(=O)N[C@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282565045 DEXISUQBBWXJPA-CQSZACIVSA-N 464.372 1.128 30 10 JDEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2282599747 QVOFQUANBRKUJO-IBGZPJMESA-N 453.396 1.265 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C(C)(C)C2)n1 2282660069 UUECAXTZFUVBOY-CQSZACIVSA-N 463.388 1.880 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282696023 XCIQGXGQXXISPS-LSDHHAIUSA-N 463.388 1.832 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@](C)(=O)CC1CN(C(=O)OC(C)(C)C)C1 2282701131 VDCDONGFRUJZMB-MGBGTMOVSA-N 483.400 1.219 30 10 JDEE CC1(C)OB(c2cnc(C(=O)N3CC(COCc4ccccc4)(C(=O)O)C3)nc2)OC1(C)C 2284387207 MNDMXWWJYXOBGA-UHFFFAOYSA-N 453.304 1.519 30 10 JDEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2285398463 RDPBRETYDIDQOE-ZDUSSCGKSA-N 486.806 1.720 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](CNC(=O)OC(C)(C)C)OC)n1 2339943431 OBJXXMCGIXEVEI-AWEZNQCLSA-N 452.361 1.472 30 10 JDEE C=C(CS(=O)(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]2CCN1C2)B1OC(C)(C)C(C)(C)O1 2342752913 ZEVDHRDEEYWVDA-DLBZAZTESA-N 471.429 1.787 30 10 JDEE Cn1cc(C(=O)N[C@]23CO[C@H](C2)[C@@H](NC(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2359268198 YYIDYYIUVVLNBI-KIMHZCHSSA-N 462.356 1.274 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2359390522 IQGXQPNKURAFON-DJIMGWMZSA-N 482.408 1.395 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COc2cccc(N3CCCC3=O)c2)CC1 15759981 DKWDUFHMUMYKIO-UHFFFAOYSA-N 468.535 1.597 30 10 JDEE CCOc1ccccc1[C@H]1c2c(nc(N3CCC4(CC3)OCCO4)[nH]c2=O)NC(=O)[C@@H]1C#N 72444233 ONXFLSDCAXFVIR-NVXWUHKLSA-N 451.483 1.736 30 10 JDEE C=C[C@]1(COC(C)=O)O[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OCc2ccccc2)[C@@H]1OC(C)=O 575449120 WFWONYIAIQBDKR-IACLWVNRSA-N 464.467 1.843 30 10 JDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)NC[C@H](C)O)cc2)CC1 915475161 HYAKCCIXKAUDGX-JBLFJGJOSA-N 465.572 1.822 30 10 JDEE C#CCN(C(=O)c1cc(C(C)C)nc2c1c(O)nc(=O)n2CC(C)C)[C@H]1CCS(=O)(=O)C1 918756625 VLFPDCCVOZPELK-HNNXBMFYSA-N 460.556 1.539 30 10 JDEE CNC(=O)CCSc1n[nH]c(NN=Cc2c(C)nn(-c3ccccc3)c2N2CCOCC2)n1 1084107258 HDLCKEZCNXLKGM-UHFFFAOYSA-N 469.575 1.810 30 10 JDEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3sccc3S(=O)(=O)N3CCCC3)C2=O)cc1 1139811072 CRIBEKSHCKTRHY-KRWDZBQOSA-N 458.565 1.935 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCn2cc(C)nc21)[C@H]1CCS(=O)(=O)C1 1286380857 JRBNCDPWVHULGY-MSOLQXFVSA-N 473.603 1.126 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1286385598 OHXFPRXQHYALLU-WMLDXEAASA-N 486.019 1.217 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1286385969 RTKJAAZNKYFCNN-WMZOPIPTSA-N 477.562 1.662 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1286467646 ZYDMUJDBDIHCEL-SFHVURJKSA-N 452.481 1.613 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2OCCOC)CC1 1286470150 UAAMQOKAGPPFAN-UHFFFAOYSA-N 475.553 1.754 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1286813795 CCNFTIDHBCLJAU-UHFFFAOYSA-N 498.650 1.901 30 10 JDEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1=O 1287776067 GPQWGPBIDUKOAA-FQEVSTJZSA-N 454.531 1.449 30 10 JDEE N#CCCN(CCN1CCOCC1)C(=O)CCS(=O)(=O)c1cccc(Br)c1 1292289580 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C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(C(=O)NCC)CCC2)CC1 1300717042 WLLVMCBAUCTONP-RUZDIDTESA-N 486.617 1.202 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(F)(F)Br)CC1 1300725856 KVOVWOGOTDPYGD-CYBMUJFWSA-N 494.362 1.134 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1300764563 XXVCIDGHBFJWIK-LJQANCHMSA-N 462.645 1.968 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccco1 1300915563 OKWKDOOAJTTYTA-UZLBHIALSA-N 453.565 1.514 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1301484761 MUVDWKWDHLWBQY-FQEVSTJZSA-N 461.364 1.972 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccccc1N1CCOCC1 1301500326 LBVJENAGPSIFCZ-HXUWFJFHSA-N 454.575 1.947 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1301528494 CUKLFYYLXDXKLQ-LJQANCHMSA-N 454.531 1.078 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(N2CCCNC2=O)CC1 1301587901 ASEVWOCKEPDFKD-GOSISDBHSA-N 466.608 1.505 30 10 JDEE 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JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC(F)(F)C2)C1 1359321797 LVCJHMPJMKZFLP-BRWVUGGUSA-N 475.562 1.828 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)N2CCN(CC)CC2)C1 1359324663 QDDYCGWEUMSGRB-FGZHOGPDSA-N 456.639 1.947 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCSC1 1507540607 FPDUYEFEQZUYPY-YKSBVNFPSA-N 454.644 1.969 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1507630951 AHQXJRBCUAHJJF-HKUYNNGSSA-N 487.582 1.116 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(CC(F)(F)F)C1 1507764455 MLGLXACUEXJVCQ-IIDMSEBBSA-N 462.542 1.765 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)nc1 1507765046 QJALWSWRGUEAKP-VGOFRKELSA-N 473.603 1.160 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1508041254 KIDRXEINTRQHEQ-XWSJACJDSA-N 490.605 1.892 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 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1.708 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1540873318 URDRHEUBVMJZMX-WMZOPIPTSA-N 455.563 1.916 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C(=O)OC)C2)cc1 1540876881 FEJGCXRWPROKDK-FUHWJXTLSA-N 477.587 1.891 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC(=O)N2CCOCC2)C1 1540886472 DMVIMQWCFNHIKF-IBGZPJMESA-N 471.558 1.993 30 10 JDEE C[C@@H](CN1CCOCC1)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1541880055 FSMXGJNDSSOSKY-GHTZIAJQSA-N 472.615 1.657 30 10 JDEE CC[C@@H]1[C@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1546605453 BWKUIPSPDDXXOV-ZWDAVXSWSA-N 459.572 1.903 30 10 JDEE COCCOCC(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@@H]2C(N)=O 1548376636 DEOWRVPGTVRCNA-GOSISDBHSA-N 468.476 1.770 30 10 JDEE COc1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)c(OC)c1OC 1554907332 FNHOKIKKKZDZKP-KSFYIVLOSA-N 493.561 1.891 30 10 JDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2OCC(F)(F)F)CCO1 1555992878 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C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1722338109 DFKHDUKTAXIXGP-UHFFFAOYSA-N 469.634 1.631 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC)c(OC)c2)CC1 1722446511 YUXXTKSEJBIUCN-UHFFFAOYSA-N 461.526 1.766 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1722451228 HGNGHFGQFMDMKJ-KRWDZBQOSA-N 473.628 1.453 30 10 JDEE C#CCSCCn1c(CC(C)C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1722462157 SHBFOIYLNIJPLP-UHFFFAOYSA-N 460.648 1.783 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1722532059 AUWPCXKCMCAVII-NJYVYQBISA-N 487.649 1.448 30 10 JDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1722542927 BIEWPSUEWRXUFE-INIZCTEOSA-N 452.003 1.738 30 10 JDEE C=CCCCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722611692 VSBQQNGICJMKRZ-QGZVFWFLSA-N 454.531 1.369 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1722698031 BGTHOSRHJCNPKY-SJORKVTESA-N 458.567 1.474 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC)C1CC1 1722726495 BOYWCONGHVQJIW-UHFFFAOYSA-N 452.606 1.828 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1722728560 RJRFFMLHFNTMGM-SFHVURJKSA-N 475.571 1.051 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCN2CCOC[C@H]2C1 1722731586 OTEYZONXGOEXAU-HXUWFJFHSA-N 475.615 1.541 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1722737115 TWSAHGULWBFREZ-UHFFFAOYSA-N 489.690 1.958 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCCOC2)C1 1722738089 AXXQERCFVITKBH-YLJYHZDGSA-N 471.649 1.537 30 10 JDEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCCS(=O)(=O)C2)CCOC1 1728789827 GYOGXFQLKMJOJY-RXVVDRJESA-N 451.593 1.885 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CC1CCN(C(=O)OC)CC1)[C@H]1CCS(=O)(=O)C1 1740626161 SUZHYDDETCCCPT-FQEVSTJZSA-N 486.598 1.369 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCNC(=O)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1740629636 UWQYRZNUPSUXRO-QFBILLFUSA-N 475.546 1.325 30 10 JDEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCCS2(=O)=O)CC1 1740835733 OEKWDIXIGSPJHI-UHFFFAOYSA-N 479.628 1.787 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1740951007 PGGIKMRAPMAFSH-UHFFFAOYSA-N 459.938 1.545 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(Cc2cc(C)no2)CC1 1740961785 JCNIOJZNWPFVGU-UHFFFAOYSA-N 453.522 1.929 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1740962129 TYMHJCVJXTXHHC-RBBKRZOGSA-N 494.644 1.383 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nc(C)cs2)C1 1740981126 NZSUXFGOMBQVML-CVEARBPZSA-N 468.605 1.206 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1740993689 CGQVHOHIIZBRRA-IBGZPJMESA-N 473.599 1.484 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](CN2CCCCC2)C1 1740994041 HNTMMQBQVFKILF-LJQANCHMSA-N 464.636 1.314 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)CC1 1741055201 GAFHAYKEEGEYMP-UHFFFAOYSA-N 467.574 1.508 30 10 JDEE 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488.610 1.659 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588050293 QNHYKEHUDRSCQG-MRXNPFEDSA-N 475.575 1.229 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588074080 IHTXZJCNGARCHL-MLNNCEHLSA-N 493.674 1.893 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1588733421 RYATYXTVEDFCPX-LJQANCHMSA-N 484.004 1.531 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(C(N)=O)CCOCC2)CC1 1588763148 SCMGQEXOPNWJKM-UHFFFAOYSA-N 474.512 1.584 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1C(C)(C)C)C(C)C 1595170632 GGWODEOJXXUXDT-OALUTQOASA-N 457.623 1.421 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1595577584 XOUYKTQGMNGDTO-UHFFFAOYSA-N 467.574 1.806 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](n3nc(C)nc3C)C2)nnc1[C@@]1(OCC)CCOC1 1595602735 PKAUUIOVRCGETI-PGRDOPGGSA-N 458.567 1.282 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(c3ccc(O)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1595830447 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C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1749049693 OPDDXXZGTSIWAH-HKBOAZHASA-N 490.674 1.501 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1749055369 IQPTYCHCMLNJGO-NIJXNBFTSA-N 472.634 1.865 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)NCC)CC1 1749119541 UBHIBLKNZZZOGA-MJGOQNOKSA-N 468.562 1.758 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1749121665 OTRTVBNGPAPJSH-DYXWJJEUSA-N 486.598 1.905 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCS(C)(=O)=O 1749133778 QBZJWVUPZUBAHQ-UWJYYQICSA-N 458.588 1.979 30 10 JDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749226403 PRHOUUYBYMOZFB-UHFFFAOYSA-N 473.578 1.245 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1749456779 ANIPJCZEFSZHNU-FPOVZHCZSA-N 496.678 1.514 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749653252 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SCCLIFTWXYODPK-HNNXBMFYSA-N 464.617 1.439 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1760552428 NCVYKEONTJIOOR-MRXNPFEDSA-N 467.559 1.251 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(CC)C(=O)C1 1760557139 BAOLZKIQWWJXEA-UHFFFAOYSA-N 472.571 1.388 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1760566204 OHNGLBZFTHGXMP-FUHWJXTLSA-N 466.633 1.894 30 10 JDEE CCOCc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1766207833 FLVHLSQKZUMICL-MGPUTAFESA-N 450.540 1.915 30 10 JDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(NC(C)=O)nc2)CC1 1767822753 HMBYQWJTOMDJSX-UHFFFAOYSA-N 459.514 1.680 30 10 JDEE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)C(=O)Nc2cccc(C#N)c2)cc1 1866581693 HGPLLEYQXVLFAA-DENIHFKCSA-N 483.546 1.974 30 10 JDEE C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(=O)Nc1ccccc1C#N 1866593118 ULIBTWQXIYTLJX-INIZCTEOSA-N 455.540 1.251 30 10 JDEE N#Cc1ccccc1NC(=O)[C@H](CO)NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 1866630773 ZAQWXNNAUXMLHS-SFHVURJKSA-N 476.942 1.871 30 10 JDEE C=CCN(CC=C)c1nc(NC(=O)COc2cccc(OC)c2)n([C@H]2CCS(=O)(=O)C2)n1 1870004770 KOCXSDGOXSSTGE-INIZCTEOSA-N 461.544 1.842 30 10 JDEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3/N=C/c3ccccc3O)CC2=O)cc1 1874199396 MONGZTCKEWDQNN-SWKNLOBNSA-N 466.523 1.972 30 10 JDEE COc1ccc(N2C[C@@H](C(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)CC2=O)cc1OC 1890418295 AOLOQJQHCKRAPB-NRFANRHFSA-N 498.624 1.315 30 10 JDEE C=CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccccc2OC(F)F)c1=O 2059845937 REAPMIAVCFJONT-UHFFFAOYSA-N 463.506 1.743 30 10 JDEE C=C(CS(=O)(=O)N[C@@]1(C(=O)O)CCN(Cc2ccccc2)C1)B1OC(C)(C)C(C)(C)O1 2256900600 JSSDSXIIFUDLHZ-NRFANRHFSA-N 450.366 1.823 30 10 JDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2267001729 OXJKQPMDWYYORU-CVEARBPZSA-N 450.341 1.987 30 10 JDEE CC(C)(C)OC(=O)N1CCC12CN(S(=O)(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2267376773 BRKYTEHZQYHKIN-UHFFFAOYSA-N 465.381 1.765 30 10 JDEE C[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C1(O)CN(C(=O)OC(C)(C)C)C1 2267712360 VKQROBFCQFIYPT-CYBMUJFWSA-N 488.437 1.696 30 10 JDEE CC(C)(C)OC(=O)NCC(C)(C)OCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2278322644 QKZMVLQWERGMNI-UHFFFAOYSA-N 452.361 1.759 30 10 JDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2282521336 WVKTVTSPKGTMOD-MRXNPFEDSA-N 460.384 1.662 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CO1 2282629384 VCZRTTFVIHLMBO-ZBFHGGJFSA-N 462.356 1.435 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 2282681028 UIVQQXQHFQQWMT-CABCVRRESA-N 461.372 1.586 30 10 JDEE C=C(CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OCC)B1OC(C)(C)C(C)(C)O1 2282882291 JLVRIIBDZJXWIP-INIZCTEOSA-N 488.412 1.988 30 10 JDEE COC[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2289508624 XZCFFGKTJKDSMU-CABCVRRESA-N 464.372 1.711 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](OCCNC(=O)OC(C)(C)C)C1 2362465457 RCYLZYWVSAJNPH-OAHLLOKOSA-N 464.372 1.475 30 10 JDEE C=CCn1c(SCC(=O)N(C)CC(=O)N2CCOCC2)nc2sc3c(c2c1=O)CCC3 11150269 AJIJCHLIRPXUGI-UHFFFAOYSA-N 462.597 1.542 30 10 JDEE O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2)cc1 12532950 UGEAOHAHWYPTFF-ROUUACIJSA-N 458.540 1.827 30 10 JDEE COCCCNC(=O)CN1CCN(/C(=N/c2cccc(C(=O)O)c2)NCc2ccccc2)CC1 46021863 ABGWSOYTXQSNCA-UHFFFAOYSA-N 467.570 1.932 30 10 JDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@@H]1c1cc([N+](=O)[O-])ccc1F 72444389 YUVLITCHMWJPMP-DZGCQCFKSA-N 470.417 1.384 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(Cl)c2)c(=O)n1CCN1CCOCC1 514475334 VPFWBVLIXMWIIS-UHFFFAOYSA-N 493.416 1.354 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2cnn(-c3ccccc3)c2)cc1 856433860 GXGVQTOEUASJBV-UHFFFAOYSA-N 454.508 1.810 30 10 JDEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)Nc3cccc(NC(C)=O)c3)n2N)cc1 1084151100 OWXGKIXPBUGGMP-UHFFFAOYSA-N 482.526 1.914 30 10 JDEE CC(=NNc1nc(Sc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)n[nH]1)c1ccc(Br)cc1 1084639666 DSUPGWFJRDINNJ-UHFFFAOYSA-N 490.347 1.828 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1286279046 JFMLIICRNXWSDT-HOTGVXAUSA-N 450.586 1.631 30 10 JDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1CCN(CCN(C)C)CC1 1286363124 NUTPVFIJTGZKPC-UHFFFAOYSA-N 486.690 1.890 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286384415 QMWRKWAQTBUMAI-QGZVFWFLSA-N 475.571 1.067 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1286392662 JDVNGYZVVDVRAQ-HMFYCAOWSA-N 450.605 1.740 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cnc2ccccc21 1286430318 GXCRJUYSHKVMAV-JOCHJYFZSA-N 495.609 1.514 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1286485533 PCGNACNUCRUJOB-DEOSSOPVSA-N 470.549 1.429 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1286490114 HKBCHTHDFAVTMO-UHFFFAOYSA-N 471.583 1.604 30 10 JDEE C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286591586 ILMOSSPNYDHZCN-UHFFFAOYSA-N 462.558 1.880 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@H]2C1)C(C)C 1286750671 FMZHUMIANOPDHF-VAMGGRTRSA-N 492.646 1.520 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1286776453 ZGOSLQAOPFAFOT-HZPDHXFCSA-N 470.596 1.243 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286784150 AKFSIZDQLJXYAE-IBGZPJMESA-N 469.571 1.123 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCn2cc(Cl)cn2)C1 1288976626 BHGXUWOQLMDGKY-QFBILLFUSA-N 482.998 1.291 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)cc1 1294009455 FRZGBQDUTLGOLD-MRXNPFEDSA-N 450.542 1.023 30 10 JDEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](COC)C2)c1=O 1295950164 BZYAHPXEDCSPSM-NRFANRHFSA-N 464.526 1.810 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N2CCN(CC)CC2)c1 1300331987 VQQSIMPMWXAURR-HXUWFJFHSA-N 494.644 1.499 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1300504729 RCZYAAYRMNPBGH-ONTIZHBOSA-N 474.631 1.828 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCN/C(O)=C1/N=CC=CC1=O 1300578079 HCRFCYXAPNOVOZ-KKPVDXMRSA-N 472.505 1.780 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sc(C)nc1C 1300631916 YCCSGLFNKHULCA-MRXNPFEDSA-N 452.606 1.387 30 10 JDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1300766913 NVHQSXXUNBSICH-IBGZPJMESA-N 468.608 1.510 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(=O)N(C)C)c1 1300806132 QARPCUZJIRPHJB-YADARESESA-N 485.610 1.688 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1300991638 WCTPQNXUUOOVBE-ZWKOTPCHSA-N 471.624 1.455 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1301492363 GVPKSFFFEBNNKZ-HXUWFJFHSA-N 467.530 1.576 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(NC(=O)OC(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1301517766 BYYCWDYQZHEUKF-HSZRJFAPSA-N 478.594 1.726 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C)C(=O)[C@H]1C 1301584777 DKQQQUMMPYFLNT-MRXNPFEDSA-N 470.555 1.868 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccc(F)cc1 1303405114 HVRGKIFTLSQTRN-MRXNPFEDSA-N 463.521 1.980 30 10 JDEE CO[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)C 1315744862 DFFJXTSXTKMGIV-UYAOXDASSA-N 456.547 1.741 30 10 JDEE C#CCCCCn1c(N2CCC(N(C)S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1358917147 IDXQVSMDAABSLC-NRFANRHFSA-N 453.609 1.594 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1358962400 PDNURMYCFHBZAP-MVJQZIEYSA-N 454.618 1.100 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1358964934 KGTZBAUDELBTPG-IBGZPJMESA-N 457.535 1.317 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCS(=O)(=O)C1 1358967471 KZAOKSWCLSOPQR-VXKWHMMOSA-N 487.626 1.342 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1358973853 IAFZPJBKXGRCCA-XTQSDGFTSA-N 460.494 1.562 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(C)OCCc3sccc32)CC1 1359029088 OKJJGDFQJOZQRM-HRAATJIYSA-N 478.644 1.193 30 10 JDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359122360 NOTKWJDVWWZWRD-CVEARBPZSA-N 455.581 1.786 30 10 JDEE C=C(C)COCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C(=O)NC)C1 1359132814 GDECXAAGMJLOQC-OALUTQOASA-N 492.621 1.937 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1359284493 SJVFXTOUEHEWPZ-JOCHJYFZSA-N 460.604 1.682 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1359298379 XQQHZCSCHWTYKG-IRXDYDNUSA-N 471.587 1.691 30 10 JDEE C=CCNC(=O)CNC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccc(Cl)cc2)c1 1466425998 FKRHJGLOZTUFAF-UHFFFAOYSA-N 451.932 1.859 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCCC2)CCO1 1503780863 DWSAQIPNMPUAQP-HXUWFJFHSA-N 453.547 1.166 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(NC(C)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1507629224 LCFKQTKGVQQBSO-OAQYLSRUSA-N 489.561 1.845 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)CC1CC1)[C@H]1CCS(=O)(=O)C1 1507634538 KYULIDXNTRDPKI-SFHVURJKSA-N 497.668 1.085 30 10 JDEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1507639323 XJZRYABNZAKYSN-MBSDFSHPSA-N 487.651 1.984 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1507666424 CAAAVUSMFLHEFS-UHFFFAOYSA-N 478.578 1.480 30 10 JDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCSCCCO)CC1 1507723568 NAWUTBCMYMPGKX-UHFFFAOYSA-N 453.572 1.465 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CCC)C1CC1 1507992870 KIAAHHNEBOFXHT-OALUTQOASA-N 452.625 1.640 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1508024064 IFHCXIQLPBXENZ-FQEVSTJZSA-N 460.600 1.957 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1508075404 WODBFWRPGYVJEO-UHFFFAOYSA-N 456.931 1.121 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1508079009 MGDWWXOGCOPZDJ-UYAOXDASSA-N 457.531 1.649 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1508139390 GDEMKXFUJMTZBS-SFHVURJKSA-N 487.630 1.811 30 10 JDEE CC(=O)N1CCCN(c2nnc(COc3ccc(F)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1508231931 JNKQVTCRKYKTRB-GHVJWSGMSA-N 497.531 1.581 30 10 JDEE C[C@](O)(Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1510238959 AJJPWDSUHAXRBY-VGSWGCGISA-N 452.540 1.906 30 10 JDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(=O)n(C)cc2Br)c1 1528411620 FJLVXDBQZHKKOU-UHFFFAOYSA-N 458.312 1.635 30 10 JDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(NC(C)=O)nc1 1539167386 CZGFOQMFPRQBMV-UHFFFAOYSA-N 452.544 1.709 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1539205289 GNZDFDSJRPMXHQ-GOSISDBHSA-N 459.963 1.907 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539206536 QZFHUFHAABEQPT-LJQANCHMSA-N 474.583 1.512 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539211910 QAGQHFQSUDOKGT-UXHICEINSA-N 487.626 1.549 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1539284044 FOUBGCWBUCXJPY-XYSPVOGPSA-N 450.543 1.796 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC=CCO2)n1 1539424038 JMBTZKUJKIFQHB-UYAOXDASSA-N 474.587 1.008 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCSC(F)(F)F)CC1 1539436262 OHHDOWVEFKXNFP-UHFFFAOYSA-N 463.493 1.929 30 10 JDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(N(C)C)CCOCC2)CC1 1539454280 LABWLAQJPQWTJI-UHFFFAOYSA-N 466.630 1.938 30 10 JDEE C=C(Br)Cn1c(COCC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1539608822 DLNVVBJTYGSTMB-HNNXBMFYSA-N 478.413 1.354 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1539829432 YPFHOUJBJNVHGO-HYDGNGQDSA-N 451.618 1.972 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)OCCc2sccc21 1540071641 GVUTXTSDWHLLHA-OXQOHEQNSA-N 467.617 1.783 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOC(C)(C)C1 1540198231 FMWVTSIDBKDGFQ-UHFFFAOYSA-N 481.601 1.942 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1540861692 BZWMXGZEXSKPOZ-HJPURHCSSA-N 488.976 1.548 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(F)c(Cl)c1 1540863228 RSKRDDVQITWUHN-GFCCVEGCSA-N 458.947 1.619 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1540875424 LMRGUELRBGIEOD-QGZVFWFLSA-N 456.522 1.890 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1540900926 NFPXYYZXCAOPQZ-IBGZPJMESA-N 487.630 1.074 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCN2CCOC2=O)cc1 1555990356 BZFLVVNMVWEKJH-KRWDZBQOSA-N 453.503 1.273 30 10 JDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)[C@@H]1CCS(=O)(=O)C1 1562086556 VERVUIORWQMBTA-SJLPKXTDSA-N 453.586 1.761 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1587803840 OFXVDFKTTOUVSJ-UHFFFAOYSA-N 493.612 1.541 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588035623 WCXWSDJMRRWOJU-XXBNENTESA-N 493.630 1.006 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](CC)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1588054628 OWKCDQDMSFQQPB-NSHGMRRFSA-N 489.573 1.853 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(C(=O)N(C)C)CCCC2)CC1 1588733231 PLTDHMYYMMTSRP-UHFFFAOYSA-N 457.623 1.600 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cccc(OCC(N)=O)c2)CC1 1588877054 SZLITVHWTALKPP-FYYLOGMGSA-N 480.613 1.864 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCNC(=O)c2cccc(OC)c2)CC1 1588914169 YWOGCWHMNKRBQU-UHFFFAOYSA-N 487.564 1.745 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOc2ccc(F)cc2)CC1 1588924197 XAFVRTKQMJFKGV-FQEVSTJZSA-N 468.533 1.803 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)c2ccccc2C1 1589069779 NUVAUHVUFCVVEV-HXUWFJFHSA-N 490.655 1.434 30 10 JDEE C=C(Br)Cn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1589460897 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C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)c1=O 1652524744 KYTVBRZXKAIQCR-UHFFFAOYSA-N 454.571 1.817 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCSCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689977992 JISXIYUSUPOKGR-AWEZNQCLSA-N 479.550 1.436 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1689980326 PRQWTYSQJPLKTI-HKUYNNGSSA-N 479.628 1.066 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccccc1OCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1689986864 YPLJCJMYFKEDSP-JOCHJYFZSA-N 494.621 1.956 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 1689996321 HCSLQBRAXOJBTB-SFHVURJKSA-N 473.628 1.774 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1690122514 UBQNVCIDAOLZCO-IBGZPJMESA-N 450.547 1.126 30 10 JDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1690129474 YLYYJYMUZDYDKE-LJQANCHMSA-N 481.601 1.872 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)N2CCOCC2)CC1 1690148415 GAVUTMUPSKQTFQ-IBGZPJMESA-N 468.577 1.695 30 10 JDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1690218464 HONOMWLSKRVEOK-QGZVFWFLSA-N 458.382 1.438 30 10 JDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1690308191 FGEMORIGEBDGKM-UHFFFAOYSA-N 451.531 1.939 30 10 JDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1690327748 XHOZKEBVLBCKGM-CRAIPNDOSA-N 472.981 1.667 30 10 JDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1690477111 ZYMWFKIVWZKJJV-SFHVURJKSA-N 485.618 1.995 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1690659221 MXPJQUCASMEGMG-QGZVFWFLSA-N 454.531 1.839 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1690670944 MJFGHCWVGUVKPW-UYAOXDASSA-N 452.559 1.731 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCSC2)C1 1690747285 XLGQRQCGVURRDU-LPHOPBHVSA-N 473.690 1.864 30 10 JDEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1695643603 CJICRFOAKJLMQF-UQBPGWFLSA-N 481.601 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494.437 1.128 30 10 JDEE CC(=O)N1CCN(CCn2c(N3CCc4nc(O)c(C#N)cc4C3)nnc2C(C)(C)C)CC1 1706004850 XJZMTTOUHITGLM-UHFFFAOYSA-N 452.563 1.275 30 10 JDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1710975984 CSRANZJLRUIUDO-UHFFFAOYSA-N 459.576 1.157 30 10 JDEE CS(=O)(=O)NCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2C#N)CC1 1712712294 DWBCEVZQXGESIU-UHFFFAOYSA-N 466.571 1.011 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1722324281 OJDAOLZFYZPYGI-MRXNPFEDSA-N 462.576 1.474 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1722353218 UHVFBAPWRRPJCR-OALUTQOASA-N 464.567 1.122 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1722359069 IHXNLMWUBMKZNE-IBGZPJMESA-N 459.597 1.559 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1722364302 KQTUEGIOPGBPBH-AUSIDOKSSA-N 473.599 1.697 30 10 JDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1722386093 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C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1740625570 RFOHHJBOTDFXBK-FQEVSTJZSA-N 498.609 1.832 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1740688334 DPPNVTWXQPQUFG-OAQYLSRUSA-N 453.566 1.711 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(OC)cc2)CC1 1740700836 JWVXQDBACIBADS-UHFFFAOYSA-N 452.559 1.633 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OCCC)nc2)CC1 1740705191 CNYQRHTZZHJEAR-HXUWFJFHSA-N 452.559 1.980 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC2([S@@](C)=O)CCC2)CC1 1740706951 JNJNNTVITAQMPQ-JGCGQSQUSA-N 454.600 1.531 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cnc(C)s2)CC1 1740708601 VTOHJGKCHRQNRN-UHFFFAOYSA-N 452.588 1.919 30 10 JDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1740792366 XDZLILKOUAPOLV-UHFFFAOYSA-N 456.595 1.406 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1740825112 JPVXTXADWLJDDD-QYZOEREBSA-N 453.609 1.829 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCCO[C@H](C)C2)CC1 1740839243 HXVBWZYGQOMRTB-CTNGQTDRSA-N 496.678 1.514 30 10 JDEE C=CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740871746 NARLVMSQYDFBFC-KRWDZBQOSA-N 454.531 1.466 30 10 JDEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1740887995 OCOFZUONUKIPIB-MSOLQXFVSA-N 462.551 1.908 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1740952033 SFJYQXOWJJNVCR-DYVFJYSZSA-N 484.529 1.047 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1740963228 DVPXCUOXBOPIGQ-IFMALSPDSA-N 479.585 1.578 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Cn2cncn2)CC1 1740963743 WAVQHAIUIJQORT-UHFFFAOYSA-N 461.530 1.539 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1740990608 XEEMYQHYVSWBHI-UHFFFAOYSA-N 461.592 1.419 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1748667029 LVOQIKOUQDKSKH-IAGOWNOFSA-N 468.583 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476.599 1.863 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1690725099 FPZFUMNJHYIFQI-UHFFFAOYSA-N 489.552 1.865 30 10 JDEE CCC[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1695028260 DYYXFNWMIALCRL-QHCPKHFHSA-N 452.563 1.658 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1705535054 ZJQKNPCRADVZIU-PMACEKPBSA-N 495.552 1.881 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OCCOC)cc1)[C@H]1CCS(=O)(=O)C1 1705567751 YYTUJQIMLWSJHG-RTWAWAEBSA-N 488.610 1.872 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSc1ccccc1 1705597272 AEGMVWXRZFTJQG-HXUWFJFHSA-N 473.624 1.866 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)n(C)c1=O 1705619411 QBKDSRVNANKVCM-QGZVFWFLSA-N 486.573 1.723 30 10 JDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1705729387 VUXZEWXNTGNUOI-FHWLQOOXSA-N 469.608 1.209 30 10 JDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1705780347 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30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2c(C)noc2C)CC1 1690375217 DDNBGDAAXODKCX-SFHVURJKSA-N 450.565 1.615 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)CC)C1 1690432647 IIWAITOHPYBPLA-ZWKOTPCHSA-N 482.651 1.708 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1690659599 XQLOBCUDIHLBCI-UHFFFAOYSA-N 466.546 1.209 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1690671565 YVKVQZYFWZTAAD-MSOLQXFVSA-N 472.594 1.864 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(N3CCOCC3)CCCCC2)C1 1690685600 AHURIECHUSSEPI-WOJBJXKFSA-N 496.678 1.705 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CC3(CCOCC3)C2)C1 1690687041 XUKNMSQTGONPOP-SJLPKXTDSA-N 453.609 1.876 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1690720902 UHUSKMRWJCVYJB-UHFFFAOYSA-N 468.583 1.866 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](OC)C(C)(C)C1 1690728908 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30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(CC)C2CC2)CC1 1705781711 GUHHMUYSOKWRKT-LJQANCHMSA-N 452.625 1.498 30 10 JDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)N1CCSCC1 1705841856 DZAKNOKYDLELBK-UHFFFAOYSA-N 492.675 1.453 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1705844157 WUPAKZCLCWHQSU-ZWKOTPCHSA-N 498.650 1.880 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCO[C@@H]1C 1705868065 AJRJDDXMAYFGSM-MMOPVJDHSA-N 497.643 1.405 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCOCC2)C1 1705924319 BZXQGIWRZPIISR-ROUUACIJSA-N 453.609 1.072 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1705928774 UKBPHIZSZKOSRW-UHFFFAOYSA-N 488.614 1.807 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)N4CCCC4)n3CCC(=O)NC(C)(C)C)CC2)c1C#N 1707807548 DNKKYNYYRKULLZ-UHFFFAOYSA-N 496.620 1.059 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(F)cc2)CC1 1722296748 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C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1740644636 NSJKZKOQDQNSMP-PMACEKPBSA-N 466.565 1.323 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCS(=O)(=O)CC)CC1 1740694390 IIWOUYCVWMPORG-LJQANCHMSA-N 494.662 1.583 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCOC[C@H]2CCCO2)CC1 1740704353 LTMQOULYNYANKR-HXUWFJFHSA-N 454.575 1.835 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@@H]1C(C)C 1740731598 DLALZXDKQXIAAI-PSHVLCQKSA-N 465.620 1.664 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1740788785 XDCKBQGCHHXRDV-MRXNPFEDSA-N 483.664 1.881 30 10 JDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1740795968 JLZWIXVILISDTB-LJQANCHMSA-N 459.595 1.575 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NC)C1 1740969177 UZGGSBVBOBGFMB-WMZOPIPTSA-N 476.603 1.464 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740969640 UNQVAUUZFHUVRM-HKUYNNGSSA-N 488.614 1.608 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1740991052 NAQBTXYVNYTZLT-UHFFFAOYSA-N 465.526 1.997 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccco2)CC1 1740993133 TUKXBOLNROSEMT-UHFFFAOYSA-N 470.555 1.420 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1741011179 KSRJMGHELXIJRH-XDOYNYLZSA-N 464.530 1.314 30 10 JDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1747617600 HVDXPPDLWBXLSW-RXVVDRJESA-N 460.629 1.877 30 10 JDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1748730050 CWZDPUYWFLVFRO-GHTZIAJQSA-N 457.623 1.599 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1748814209 AZRCZPQSQIUEQQ-PMACEKPBSA-N 455.584 1.715 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nc(C)cs1 1748857808 FCOSCEYXQVDEMX-DOTOQJQBSA-N 462.601 1.252 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(OC)cc1 1748860130 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1749730680 MSEAQYHRRFGJSU-UHFFFAOYSA-N 464.617 1.995 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H]3CCC[C@H](C2)C3O)nnc1[C@@]1(OCC)CCOC1 1749740151 QYXLTTIZOHSMQE-PGGWPXBNSA-N 454.593 1.128 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2([S@@](C)=O)CC2)c1 1760128700 PUIGYBLXPZKMAO-HYJWCJBQSA-N 454.556 1.197 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1760180794 LEDDYRLMSYXEBP-DYESRHJHSA-N 479.628 1.759 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(F)F)cc1 1760205888 MEDZBDHPWBLSFQ-SFHVURJKSA-N 479.509 1.334 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[C@@H]1NC(=O)NC1=O 1760219183 XJGJKGKNVFPVLY-OALUTQOASA-N 497.600 1.844 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[C@H](O)C2)CC1 1760270969 GXKGYADHOAVSET-FPOVZHCZSA-N 453.591 1.657 30 10 JDEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760285425 GCHBOHISBPBXGI-UHFFFAOYSA-N 498.653 1.959 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COc2ccccc2O1 1760337252 OUQAXHKGFCXSHL-YLJYHZDGSA-N 477.587 1.853 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1760522236 OKIGEBKPQPIHIB-NSHDSACASA-N 489.442 1.804 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760526276 JQYIBSSFLCNFPF-OAQYLSRUSA-N 481.601 1.211 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1760551972 YBRZMOWKFDQMRY-KRWDZBQOSA-N 487.586 1.845 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1760554433 DPQTXHIHNAJTDB-PZJWPPBQSA-N 480.679 1.456 30 10 JDEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1768201874 GOOMRQFRQMJRGD-JOCHJYFZSA-N 458.588 1.287 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1770735078 DKFNAPIKCKZXDU-CRAIPNDOSA-N 471.461 1.134 30 10 JDEE C=CCN(CC=C)c1nc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)n([C@@H]2CCS(=O)(=O)C2)n1 1870002685 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CC(C)(C)OC(=O)N1CCC(CO)(NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CC1 2267161233 YJAOZODGBNGKCF-UHFFFAOYSA-N 467.397 1.934 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC1(CNC(=O)OC(C)(C)C)CCC1 2267371488 BAPBOTRZVXJGIC-UHFFFAOYSA-N 470.401 1.445 30 10 JDEE CC(C)(C)OC(=O)NCC1CC(NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267376035 PTIYVVSGDCLSKW-UHFFFAOYSA-N 467.397 1.962 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NS(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282408566 JARKUSWOYJPZBG-IRXDYDNUSA-N 486.371 1.383 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 2282849888 IHLLSNGGOBLEGA-AZUAARDMSA-N 472.420 1.614 30 10 JDEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)c(OC)c1 2296619672 FCWQFDDBCCBVGX-OAQYLSRUSA-N 453.495 1.853 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)[C@H](O)C1 2342481207 RFQJWZPUJNGDQD-KBJGYGKASA-N 454.373 1.804 30 10 JDEE COc1ccc(/C=C\C(=O)NC(=S)Nc2ccc(S(=O)(=O)N=C(N)N)cc2)cc1OC 4459527 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C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1300483921 PKAYGPLJHZIYNT-XUZZJYLKSA-N 487.626 1.693 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2cccnc2)C(C)C)CC1 1300684307 ZUXCBVLVNTWPPK-UYAOXDASSA-N 459.620 1.478 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1300848207 BSNHODDDEQESRB-GJZGRUSLSA-N 460.398 1.393 30 10 JDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1301050830 FGMGEZCIPSJASH-UHFFFAOYSA-N 489.024 1.833 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cn2ccnc2)c1 1301295900 CFPOWCMUNFDOEZ-FQEVSTJZSA-N 471.587 1.526 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)coc1C 1301424537 LUTRFXIFIHLUET-SFHVURJKSA-N 453.565 1.508 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1301491906 QPBVLYQQNWNSIY-IBGZPJMESA-N 465.558 1.975 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1301497627 ZHBZPFNOJBRXLN-UHFFFAOYSA-N 450.503 1.338 30 10 JDEE 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C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689993615 IHZFEPZQTYYPJJ-LEWJYISDSA-N 490.674 1.538 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc2c(c1)OCO2 1690077814 XKEKKHJXETUFSP-FQEVSTJZSA-N 489.598 1.777 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(C)(C)C(=O)NC)CC1 1690124600 OVJZTZJJYWUSGQ-IBGZPJMESA-N 487.649 1.920 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@]2(OC)CCOC2)CC1 1690142121 IRUSSARVNYXKAY-XMMPIXPASA-N 453.543 1.725 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCNC(=O)[C@H](C)CCC)CC1 1690142200 JWKMEWAVHHUQSQ-GOSISDBHSA-N 453.591 1.802 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1690146404 MZBHBNATORMPIG-UXHICEINSA-N 494.587 1.494 30 10 JDEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)CC1)c1ccccc1 1690442275 PUSKRGAQGVRULS-PXNSSMCTSA-N 460.604 1.917 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690663095 LUJJARJCJWLMBM-NSHDSACASA-N 474.406 1.695 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1690667193 UBBOFMCUUZPAHL-UHFFFAOYSA-N 462.558 1.847 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCn2cncn2)C1 1690688672 ZBOWCDZOCSHVQY-SFHVURJKSA-N 472.575 1.268 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1690714828 WFBMCZVBAFHSFG-UHFFFAOYSA-N 494.593 1.491 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](OC)[C@H](OC)C1 1690731983 SYDXJYDEJOFVBC-ZJPYXAASSA-N 456.609 1.648 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 1696689211 HKICLQDFFNVMAU-LJQANCHMSA-N 474.587 1.424 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1COCCO1 1698048943 CUJVSVUYQJZXPS-WOJBJXKFSA-N 475.571 1.120 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCc2noc(CC)n2)c1 1705503968 JOXQHOUHVVJBCZ-UHFFFAOYSA-N 476.541 1.758 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(=O)COC)CC1 1705534721 POIPFIYVFUNNGW-IBGZPJMESA-N 490.605 1.731 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705563087 QOWMJDVMMSFTKZ-KRWDZBQOSA-N 483.516 1.813 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1705568498 OQSZPNDNSXAKNJ-LJQANCHMSA-N 472.546 1.828 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1705570148 NGOABHDJFWHKDX-ZJSXRUAMSA-N 483.569 1.937 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(O)CCC[C@H]2C)CC1 1705634345 SBMJJIZBKVMEKC-WZONZLPQSA-N 457.600 1.655 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCc2cc(OC)ccc2OC)CC1 1705647387 GJQJJQLODZYDIH-OAQYLSRUSA-N 494.596 1.845 30 10 JDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1705809757 BITMJBKUXKDWKU-TZIWHRDSSA-N 457.623 1.859 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1705826975 OQJYWRJMGLZXSI-HSZRJFAPSA-N 488.614 1.647 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1705894477 ACHZPRDHMYMJCC-LJQANCHMSA-N 453.591 1.819 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705899416 RQESLNHQJDBGHT-UHFFFAOYSA-N 485.976 1.172 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1705933900 VFKYTBHOIKGUAA-OAHLLOKOSA-N 463.560 1.230 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC(S(C)(=O)=O)CC1 1705937273 OTCKBHKQCQLFNM-UHFFFAOYSA-N 466.629 1.678 30 10 JDEE CCCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CCS(C)(=O)=O)c2ccccc2c1=O 1709803149 AAHWAHGJDHVEBZ-OAHLLOKOSA-N 457.560 1.848 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCN2CCCS2(=O)=O)c1 1712878083 DWSDPMLKIRBJHG-UHFFFAOYSA-N 484.504 1.746 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@]2(C)CN(C)C2=O)c1 1722308655 COUKKXHUYDGUNN-KOSHJBKYSA-N 450.543 1.707 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1722358463 HUNOHHYZGSSCPN-GBESFXJTSA-N 465.620 1.494 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1722367166 KTFUVMXKZMNJLI-KSSFIOAISA-N 495.964 1.727 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc2[nH]ccc12 1722384991 XDGYVNIRHBTWID-OAQYLSRUSA-N 466.567 1.408 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(Cc2ccccc2)c1 1722413208 JPOZQKOKPQTCPO-OAQYLSRUSA-N 483.598 1.364 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCN2CCN(C)C(C)(C)C2)CC1 1722440852 FRBCUYDUNAZAOB-UHFFFAOYSA-N 469.609 1.777 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1722448083 REABOBZZMVMUCU-UXHICEINSA-N 494.587 1.842 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1722448987 KDXGIXUEXLKWMI-CLOONOSVSA-N 451.571 1.683 30 10 JDEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C(N)=O)CC1 1722536003 BCMVKZQKLRJKQX-UHFFFAOYSA-N 454.579 1.747 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1722698903 OWJWLJGQEKUJHV-KBPBESRZSA-N 486.019 1.775 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccccc2)CC1 1722727110 LRPSCHXSDOIJJX-FQEVSTJZSA-N 472.615 1.542 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)(C)C)CC1 1722739272 UHICGBAHGWXBSR-QGZVFWFLSA-N 472.681 1.451 30 10 JDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CN(CC(C)C)CCO2)CCOC1 1728793894 CPBVRBCRSKJEON-VLCRHTCISA-N 450.559 1.729 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCC(C)(C)C2)CCO1 1729680435 DOSFRPRXVDGTHF-FQEVSTJZSA-N 451.575 1.890 30 10 JDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740581044 NTGWLCADUYAFFK-SFHVURJKSA-N 483.960 1.748 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740620069 TVZCIYINFAOHLB-UYAOXDASSA-N 494.639 1.646 30 10 JDEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1740627645 RQRQVHJTDSNRSK-FXAWDEMLSA-N 474.583 1.968 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C2OCCO2)c1 1740657510 SXELMJVDPZYNCN-OAQYLSRUSA-N 499.593 1.168 30 10 JDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)(F)F 1740671585 KFZFRFLNHYOYOC-CQSZACIVSA-N 474.484 1.725 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(OCC(N)=O)c2)CC1 1740693138 UYRYNEZLIOJUCA-UHFFFAOYSA-N 465.945 1.661 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCNC(C)=O)CC1 1740705100 CCHDWMNURQYIJM-UHFFFAOYSA-N 476.541 1.086 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNS(C)(=O)=O 1740731531 XICJNKQUJSVVCC-VGOFRKELSA-N 480.635 1.934 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N(C)[C@@H](C)C1)C(C)C 1740924515 VBIXRIWQRQLQOJ-PMACEKPBSA-N 457.623 1.880 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1740954811 HGKKGRJIJJVRPK-UHFFFAOYSA-N 478.601 1.499 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)[C@H](CC)C1 1740960292 OYJRCKBKKLESPZ-NQIIRXRSSA-N 470.574 1.640 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1740961456 DBJSKGMFYFKOBV-ZDUSSCGKSA-N 471.509 1.441 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1740985020 AJKDIXKSFFRHKO-QGZVFWFLSA-N 466.608 1.000 30 10 JDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCCC1 1744756035 HRFQMKGABJEMKI-SFHVURJKSA-N 456.572 1.889 30 10 JDEE COc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cc1F 1748736481 DIOCXWKKCGGZPC-DZGCQCFKSA-N 452.512 1.007 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCCc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1748802403 PMDWLXTUBIAJQS-QGZVFWFLSA-N 478.644 1.831 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748808478 CSLPWFKOUOEIIY-MRXNPFEDSA-N 462.963 1.146 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748811757 KSAZISVWNCWNIZ-CVDCTZTESA-N 453.568 1.818 30 10 JDEE C#CCN(c1nnc(CC)n1Cc1ccc(C)cc1O[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1748817345 JKFYBBOQDKJBTN-WOJBJXKFSA-N 458.584 1.992 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](c1ccc(C)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748821306 OXJYQFXCSIVPGB-FCHUYYIVSA-N 498.653 1.639 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(CN2CCOCC2)c1 1748863926 LAKMOAXWCKUSNX-HXUWFJFHSA-N 484.626 1.232 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCNC(=O)c1cc[nH]n1 1748949778 BKBJCACFXSDEGM-UHFFFAOYSA-N 475.351 1.285 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC=C 1748962249 CWADNUIMVLQQGK-GOSISDBHSA-N 460.579 1.781 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC(=O)N2CCOCC2)CC1 1748992913 KDPKMTZGWNQCTQ-UHFFFAOYSA-N 456.978 1.526 30 10 JDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1749187830 PXBWBVIEXVSQHU-PVAVHDDUSA-N 475.575 1.438 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1749650551 BCQOZPSODMFFKF-GOSISDBHSA-N 465.489 1.945 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](CCOC)C1 1749666017 DPLCOMZFPGMWIL-MRXNPFEDSA-N 451.531 1.357 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCC(C)(C)C2)C1 1749712259 HMEDAMALHGLSQW-WOJBJXKFSA-N 496.678 1.514 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1749849233 GLKIJZZDQHNVGN-JOCHJYFZSA-N 451.575 1.842 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1760181236 RGJMAJGWEWABBJ-BEFAXECRSA-N 451.574 1.062 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1760184579 KKYZMHWQVAAMFQ-SFHVURJKSA-N 469.567 1.976 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1760185693 BHJUKNXOFJUJKW-SFTDATJTSA-N 458.584 1.610 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760189520 VFOIDQZVUOFAJI-BURNTYAHSA-N 493.674 1.687 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1760191582 JVLPFPMAOFHFAO-KRWDZBQOSA-N 488.570 1.479 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(CCC)CCC2)CC1 1760265717 HUKCBKVKWALCIK-QGZVFWFLSA-N 464.636 1.825 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1760282184 XIGHKQYQUNMWBT-DLBZAZTESA-N 471.649 1.229 30 10 JDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)N1CCN(c2ccccc2)CC1)C1CC1 1760470620 XRRAVXCKKUQSSI-SFHVURJKSA-N 487.630 1.392 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCC(C)CC1)C1CC1 1760477358 XZJWSAAAAPQTGU-ICSRJNTNSA-N 466.652 1.886 30 10 JDEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)NCCOC)CC1 1760507181 MSUDUQCSUYIABV-UHFFFAOYSA-N 466.384 1.117 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N(CC)CCS(C)(=O)=O 1760519147 TVEPQIIPCWQIJA-UHFFFAOYSA-N 476.422 1.942 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1760553069 KOILWUDSYKRALR-LJQANCHMSA-N 456.572 1.770 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760554771 MFWACWXULAETRQ-UHFFFAOYSA-N 490.561 1.129 30 10 JDEE CN(C)CC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1768501774 GGDLYXAUEKUPOM-UHFFFAOYSA-N 465.606 1.695 30 10 JDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(c2nc(C)ns2)CC1 1769322256 CTCATIWZWIPEOH-UHFFFAOYSA-N 451.560 1.830 30 10 JDEE CS(=O)(=O)CCCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1 1770332396 HLHHUBYOVAFAHJ-INIZCTEOSA-N 484.376 1.783 30 10 JDEE COC1CCC(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CC1 1770567660 DABAGCKKHZLEFH-UUKMXZOPSA-N 480.635 1.946 30 10 JDEE COc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1O 1862558772 ZDCSJFMUGXBWEQ-NRFANRHFSA-N 453.495 1.894 30 10 JDEE C=CCN(CC=C)c1nc(=NCc2ccncc2)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871632316 OBJSMVISAJBANH-UHFFFAOYSA-N 456.510 1.870 30 10 JDEE COc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)c(OC)c1 1874273707 KBSCTIYTEGBUSI-WUJFOHIQSA-N 460.560 1.869 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)C1 2180987344 NMEGKDWSPWVOHW-BZUAXINKSA-N 484.424 1.961 30 10 JDEE CC1(C)OB(c2cncnc2C(=O)N[C@H]2CC[C@@H]2NC(=O)OCc2ccccc2)OC1(C)C 2247929223 KBYHCXBXTGWAPM-ROUUACIJSA-N 452.320 1.963 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 2255751141 VSYMXXIDEAYXTO-JOCQHMNTSA-N 456.374 1.053 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256639278 CKJOIXUOPXSYNO-FDYHWXHSSA-N 450.370 1.747 30 10 JDEE Cn1cc(C(=O)N[C@H]2CSCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267515963 WKWPQEULKMQYOQ-CQSZACIVSA-N 466.413 1.802 30 10 JDEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268646299 JAEKSZZOBNJGKK-LSDHHAIUSA-N 467.397 1.940 30 10 JDEE CC(C)(C)OC(=O)N1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 2280766687 CWVMYELTAIBDDW-SJORKVTESA-N 479.408 1.604 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)C[C@H]2[C@H]1CO 2281805473 ZJAPPMWLQNFGIF-GVDBMIGSSA-N 462.352 1.879 30 10 JDEE Cc1c(C(=O)N2C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281988148 IJEBTCVLPURXQQ-GJZGRUSLSA-N 464.372 1.128 30 10 JDEE C[C@H]1CC[C@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN1C(=O)OC(C)(C)C 2282338528 RTOAYXBPVXRCSY-GJZGRUSLSA-N 484.428 1.786 30 10 JDEE CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282344007 SOSAQOIEZOPNAA-HNNXBMFYSA-N 484.428 1.739 30 10 JDEE Cn1cc(C(=O)N[C@]2(CO)CCCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282541819 DSUVCNVLFKYEPD-JOCHJYFZSA-N 464.372 1.211 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CO2)C1 2282576295 OOTOANQCJNSMGO-JLCFBVMHSA-N 462.356 1.607 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 2282587274 KISRQNBWBXJTGS-CABCVRRESA-N 464.372 1.128 30 10 JDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)c(F)c2)OC1(C)C 2282836598 LZVBAOWZUGCHAL-SFHVURJKSA-N 480.289 1.957 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H]2CC[C@H]1CN2C(=O)OC(C)(C)C 2282854375 QTDLVPKTLWOPFG-CABCVRRESA-N 482.412 1.492 30 10 JDEE CN(C)CCN1C(=O)C(=O)C(=C(O)c2ccc3c(c2)OCCO3)[C@]12C(=O)N(C)c1ccccc12 2296223306 SKSFWVBZSUXPIL-RUZDIDTESA-N 463.490 1.572 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1COCC[C@H]1NC(=O)OC(C)(C)C 2337206928 VBKDIYMIJNNJIO-KGLIPLIRSA-N 450.345 1.131 30 10 JDEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2339878120 HUQNTVHVRHOQGY-LBPRGKRZSA-N 472.779 1.642 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)cc2C1=O 15025905 BYIILMAOTYUOCY-UHFFFAOYSA-N 453.520 1.756 30 10 JDEE CN(C)c1ccc(/C=N/Nc2nc(SCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n[nH]2)cc1 21076039 HKKJZOKOQKISLP-LSHDLFTRSA-N 464.511 1.931 30 10 JDEE C#CCOC[C@H](O)CN(CCN1CCOCC1)Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3 104991306 QSCHLFQBKVWWPI-ZWKOTPCHSA-N 474.627 1.254 30 10 JDEE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N1CCN(CC(=O)NC(C)C)CC1 253570383 NNCMJULUHIORLX-UHFFFAOYSA-N 497.629 1.018 30 10 JDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CC(=O)Nc3nnc(COC)s3)cc21 586352279 QSISMKUKJLMSNL-GGQVQLDRSA-N 478.552 1.555 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)cc1 589969830 PIWJIYSUVVVZTB-UHFFFAOYSA-N 478.596 1.021 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)c(Br)c2)CC1 1128333656 WOWSMMVOBGUNKA-UHFFFAOYSA-N 456.362 1.301 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1286380102 ADTORPOBRFSKNW-REWPJTCUSA-N 477.631 1.207 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(=O)(=O)CC 1286402428 ZKUIRTVWMNXWPY-UHFFFAOYSA-N 462.601 1.054 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1286431492 OIKFCKMQAOPZFA-RTBURBONSA-N 482.614 1.144 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C(C)C)N2CCCC2)CC1 1286485665 UEHMABGXFRYYAW-HXUWFJFHSA-N 457.623 1.503 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(F)(F)Br)CC1 1286485746 XDJVMNTYTGNVFW-UHFFFAOYSA-N 473.322 1.468 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)CN2CCCC2)CC1 1286490057 GNTVAWHNHQGMFK-LJQANCHMSA-N 455.607 1.317 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cccn(CC)c2=O)CC1 1286493270 FSIOZDYBWBUFQW-UHFFFAOYSA-N 459.554 1.460 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCC=C 1286515599 JSESCGPDTMHXIO-JOCHJYFZSA-N 455.588 1.841 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC1 1286762994 RJTQYFLPYRUAGG-RTWAWAEBSA-N 475.615 1.883 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](OCC)C1 1286782578 YVSWDAJXXFJNJF-GOSISDBHSA-N 476.603 1.503 30 10 JDEE CCN(CC)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1295540066 AAMDVSSRJIRXQD-WIYYLYMNSA-N 467.640 1.473 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCOCC1 1300309390 GULSJVBDYRQXOX-SJORKVTESA-N 476.578 1.327 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300491747 ILIUVHIFIFEKSM-PZJWPPBQSA-N 483.573 1.804 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn2ccc(C)cc2n1 1300579643 YBPWWABJWLJPHG-FQEVSTJZSA-N 481.582 1.078 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300618227 BFFIETIYPRZAMW-SFHVURJKSA-N 497.625 1.806 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C 1300671433 IRBLJPRUOWWCBD-KRWDZBQOSA-N 453.590 1.115 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1300848261 BYHMLLASFQRORB-CHWSQXEVSA-N 467.411 1.102 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(S(C)(=O)=O)CC1 1300894505 DGIANGSGQBVCPW-MUGJNUQGSA-N 483.635 1.455 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCSCCCO)CC1 1301124434 IHGBFILKMZOROV-QGZVFWFLSA-N 459.638 1.129 30 10 JDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1301218063 JMQMDSKTORWMES-OAHLLOKOSA-N 452.606 1.828 30 10 JDEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1301249047 OUEPABANTYLDQS-UHFFFAOYSA-N 467.574 1.512 30 10 JDEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1301357048 HXNOWGDGGJFVEP-INIZCTEOSA-N 466.633 1.952 30 10 JDEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCCS1(=O)=O 1301384186 REVLBUZANOXKIZ-UHFFFAOYSA-N 455.544 1.808 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(CC(=O)N(CC)CC)CC2)nnc1C(C)(C)C 1301596118 IDQUXLMTOUAYRT-UHFFFAOYSA-N 454.641 1.167 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCO[C@]4(CCSC4)C3)CC2)cc1 1312255126 AYMQHEFREXHCAG-FXAWDEMLSA-N 450.586 1.629 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCS(=O)(=O)C1 1358960034 VDJOGTRXHDECDW-LQTLECTNSA-N 480.550 1.098 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1358965152 OXUKULVBJMVYDR-JOCHJYFZSA-N 479.606 1.859 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccnc2N2CCOCC2)CC1 1359030635 ZZSDTXLUSCSCNK-FQEVSTJZSA-N 469.590 1.037 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CC(F)(F)CO2)CC1 1359040200 LKGPHQAJZXUSLK-MRXNPFEDSA-N 473.484 1.315 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1359189258 DYCKTBDJZRCUJM-PMACEKPBSA-N 496.678 1.372 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1359292372 OBKDXJLJBOTOJI-UHFFFAOYSA-N 479.545 1.155 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359298917 PIFMOEBPYXFQSR-UHFFFAOYSA-N 492.584 1.189 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN(c2ccnc(C)n2)CC1 1359334249 YCRRTYWLMZXYGY-UHFFFAOYSA-N 497.625 1.903 30 10 JDEE CC(C)(C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1359551106 AFCPZZCZWHPVCA-KRWDZBQOSA-N 465.562 1.127 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCC(=O)N2CCOCC2)c1 1507549817 PPRLOXBMYIGTHG-UHFFFAOYSA-N 473.537 1.645 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1507631061 BCFPZOLUEBHUGE-VQTJNVASSA-N 474.583 1.634 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 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CS(=O)(=O)CC1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@](F)(C#N)C2)CC1 1519515843 FQSNNBDJCNNOQA-FQEVSTJZSA-N 481.575 1.615 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCNC(=O)OC(C)(C)C 1539015620 QJCPYENUUXKACF-DLBZAZTESA-N 484.623 1.374 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539212217 NNVRZGMMZVENOH-TZIWHRDSSA-N 457.600 1.921 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1539477587 RSEQOVYSKQUFDA-HXUWFJFHSA-N 464.570 1.471 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CN(CC(C)C)CCO1 1539538668 LGPBZAWQPRKOOG-LVCYWYKZSA-N 452.625 1.237 30 10 JDEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1539766976 HHFOZPZBVRZQDK-MOPGFXCFSA-N 464.613 1.907 30 10 JDEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1540859577 PQQAQCZINZACRF-KRWDZBQOSA-N 458.950 1.585 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1540871172 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C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2(O)CCOCC2)CC1 1588812427 RJMKAOPKXXLEPA-FQEVSTJZSA-N 488.633 1.689 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCCN2CCC[C@H]2CO)CC1 1588929995 KTLXCSDOFUBAFI-VXKWHMMOSA-N 472.634 1.375 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccc(C)c(F)c1 1589151329 XJMNRKCYQKMKHC-OPAMFIHVSA-N 476.578 1.758 30 10 JDEE C=C(Br)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1589347049 CRBYRXAVPPOWDR-CYBMUJFWSA-N 491.346 1.018 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1589528040 CKTNBZYVFAGVJM-APWZRJJASA-N 461.592 1.624 30 10 JDEE N#Cc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)CC2)cn1 1594753798 FQSYIESQVJTRHC-HXUWFJFHSA-N 455.540 1.373 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1595570034 VCJDVAOMMGQMFT-GOSISDBHSA-N 458.950 1.934 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1595773000 LXNBXQJXLDQRCI-IBGZPJMESA-N 454.556 1.619 30 10 JDEE CC(=O)N1CCCN(c2nnc(CCOc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1596126204 AGKIYKJWCAUNRU-VHXPQNKSSA-N 493.568 1.485 30 10 JDEE CC1(C)COCCN1CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1 1611799536 HLHZNMSRQCMXOM-OAQYLSRUSA-N 461.567 1.822 30 10 JDEE C[C@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1613001142 DUMQTQQDVABFKJ-FUHWJXTLSA-N 462.576 1.387 30 10 JDEE C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34/C=N/NCCO)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 1614467855 KRTLUNZEHYQHDL-UBIZLHLJSA-N 462.587 1.267 30 10 JDEE CN(C)c1cccc(Oc2nnnn2[C@@H]2CO[C@H]3[C@H]2OC[C@H]3NC(=O)Nc2cccc(C#N)c2)c1 1616125421 DQJGFWALIAGFGP-NCYKPQTJSA-N 476.497 1.932 30 10 JDEE N#Cc1cccc([C@H]2CN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CC(=O)NCC(F)F)CCO2)c1 1620349247 ICRXDMDSWXROQN-DLBZAZTESA-N 494.524 1.011 30 10 JDEE COC(=O)C[C@](C)(NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(OC)c1 1636943750 DCOWZBOTAPEHGX-QFIPXVFZSA-N 459.524 1.719 30 10 JDEE CS(=O)(=O)N=S1(=O)CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 1660131452 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C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)NCC)cc1 1690104044 LCPVJOQUVDQVPF-IBGZPJMESA-N 459.572 1.064 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN(C)CCOC)CC1 1690137949 MPEWZCNVPPBCTI-UHFFFAOYSA-N 492.422 1.580 30 10 JDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1690311906 XEFIYGDVWDNFCH-SFTDATJTSA-N 460.623 1.898 30 10 JDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1690673809 FOOSDIGUOOPHRJ-OYRHEFFESA-N 485.677 1.940 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1690677085 MLQUXQXXMJXLJN-UZUQRXQVSA-N 478.594 1.726 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCOCC1 1690717558 JNJUKMFJGOMTPG-UHFFFAOYSA-N 454.574 1.176 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1690724027 GNPRLFHSDQDBDZ-HKUYNNGSSA-N 467.636 1.760 30 10 JDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(N)=O)C1 1690742261 LDFFBHJWTSJBGR-HNNXBMFYSA-N 453.572 1.813 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)C1CC1 1691229018 BRLICOBXIJVVPM-IRXDYDNUSA-N 459.551 1.605 30 10 JDEE CC(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1691591823 HKOUXBLFNWCTQC-IKGGRYGDSA-N 482.607 1.458 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1705510539 RRRPQWUYGMKTLF-KRWDZBQOSA-N 465.624 1.418 30 10 JDEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705562137 XZLZIIFHADVDCW-NVXWUHKLSA-N 475.640 1.846 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1705562608 GKCYWZKHERVJQX-TZIWHRDSSA-N 490.651 1.959 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(COC(C)(C)C)on1)[C@@H]1CCS(=O)(=O)C1 1705567517 YGVJFKPAWBCFLO-SJLPKXTDSA-N 490.586 1.207 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705569023 YITXRRKNZNXGDS-UXHICEINSA-N 459.620 1.107 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1705569685 JEBFIOYNENYHJV-HXUWFJFHSA-N 466.567 1.733 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1705571461 ZRWLAZIBAFYOEN-NRFANRHFSA-N 452.584 1.895 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1705662464 ZLCUKPIILHHNQT-KRWDZBQOSA-N 480.685 1.634 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1705843504 HHBUNGZANZVYSW-CVEARBPZSA-N 472.612 1.489 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@@H]1C(C)C)C1CC1 1705854513 LDYMTRALWOVKJA-YTQUADARSA-N 453.609 1.827 30 10 JDEE C=CCn1c(N2CC[C@H](S(=O)(=O)NCC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705893535 MHKPBPFTNYBPOL-XHSDSOJGSA-N 454.597 1.753 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCn2nc(C)nc2C1 1705907916 BSKSEQBILHOVOK-UHFFFAOYSA-N 452.519 1.478 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1705997175 GFBSONFALVEFKT-LJQANCHMSA-N 451.531 1.312 30 10 JDEE 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452.462 1.706 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](N1CCOCC1)C(F)(F)F 1722380815 ZDEIYVCNDXZLKG-LJQANCHMSA-N 499.497 1.528 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 1722453978 GHVNFXNJVPLDTC-GOSISDBHSA-N 459.572 1.670 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1722462802 SIAMLEUVNWOUEI-KRWDZBQOSA-N 471.612 1.947 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccnc2OCCOC)CC1 1722565969 GNSVDYQSTSGUBL-LJQANCHMSA-N 492.602 1.236 30 10 JDEE C=CCCOCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722622451 NCZGUHVDQAEFOS-AEFFLSMTSA-N 488.976 1.811 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](OC)c2ccccc2)C1 1722717571 CBHAHBXCINEMGU-HKBOAZHASA-N 491.614 1.780 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1722750169 LGAJOEJVYCDFPL-RTBURBONSA-N 477.543 1.838 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1722787168 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C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1740700193 JNNQPIPWBSLGPG-IBGZPJMESA-N 465.558 1.163 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc([C@H](C)O)cc2)CC1 1740703628 ZBDWTURRGNIKEB-AFMDSPMNSA-N 481.597 1.998 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1740705746 LOCGBEZZHYQOBC-MBOZVWFJSA-N 477.631 1.350 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCC1 1740774217 OSJCDZPKBOUKDU-IBGZPJMESA-N 454.641 1.889 30 10 JDEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740782472 FQHFGYAEPCMVOJ-LJQANCHMSA-N 454.531 1.540 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](OC)C(C)(C)C1 1740953065 UVYBOFDOICGLAH-INIZCTEOSA-N 475.619 1.710 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1740954578 BMZFZAFLYIWWAU-GOSISDBHSA-N 464.574 1.156 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1740990544 BYCQXXGBBHBUQQ-HZPDHXFCSA-N 482.607 1.276 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCO[C@H]1C 1741916602 AJDRYMVXJWZHEI-QQMNAOGKSA-N 486.598 1.594 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1748805740 VLGYLHYLEZKVHJ-UGKGYDQZSA-N 465.620 1.043 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(C)n(C)c1=O)[C@H]1CCS(=O)(=O)C1 1748809811 WJRNVLBHMQVISS-FQEVSTJZSA-N 496.549 1.535 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1748810278 VKIZMNUMAPSYID-HXOBKFHXSA-N 490.582 1.395 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCN(CC)CCC)[C@@H]1CCS(=O)(=O)C1 1748814807 JFNXOZKKJNQFMS-GOSISDBHSA-N 497.625 1.953 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCC(=O)NCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748816946 BJODAOMGKUBGBJ-LEWJYISDSA-N 485.610 1.505 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](C)N1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1748817042 CRVZRNMOUIDIPP-PMACEKPBSA-N 464.680 1.519 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1nc(C)cs1 1748857811 FCOSCEYXQVDEMX-WBVHZDCISA-N 462.601 1.252 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c(C)coc2C)n1 1748971392 NVDWQNGZBVLJSD-IBGZPJMESA-N 486.598 1.921 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](Cc2ccccc2)OC)CC1 1748978205 HNUBWWBTUIEMML-RCZVLFRGSA-N 453.587 1.943 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOCCN(C)C)CC1 1748991153 RDWWYHUQOQTLSZ-NRFANRHFSA-N 489.665 1.726 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N2CCc3ccccc32)CC1 1749001357 QORACDGVKBEROK-IBGZPJMESA-N 477.613 1.833 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2c(C)cccc2C)CC1 1749005407 WABZNHQKSKRAJJ-LJQANCHMSA-N 486.642 1.714 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)nc2)CC1 1749015395 VBMPZRCLDNOUKQ-QGZVFWFLSA-N 476.990 1.243 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1749016650 JFJPOCHNJPVDOX-FQEVSTJZSA-N 466.561 1.889 30 10 JDEE C#CCSCCn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1749049184 YUWITRJPEAKWFM-XMSQKQJNSA-N 463.604 1.124 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1749135963 JZSJBFDYDJEFSV-ROKPMTFOSA-N 487.649 1.418 30 10 JDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@@H]1C 1749454564 ITJLPZZCGDIPAA-KRWDZBQOSA-N 465.558 1.842 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncn(C)n1 1749529565 HRAKJRCUANUWGS-KRWDZBQOSA-N 457.560 1.558 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1749671218 ZZPKYMPVUCTMQP-HNNXBMFYSA-N 465.526 1.930 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1749680621 MZZBPHSXLLDJRG-UHFFFAOYSA-N 454.510 1.359 30 10 JDEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(S(C)(=O)=O)CC1 1749749738 PAAQBRUSJRARRF-UHFFFAOYSA-N 451.574 1.675 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1760110649 GARXPQRTIRBFAV-HOTGVXAUSA-N 454.556 1.617 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1760145245 KYWOKKUELJVQRH-HOCLYGCPSA-N 463.560 1.373 30 10 JDEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760157166 GTYHXOSINOTCPS-JOCHJYFZSA-N 465.602 1.007 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1760180449 FQQZXBRCBZSVNX-VWNVYAMZSA-N 466.604 1.230 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](C)N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1760185867 FYLXIGDJBBQWBB-WOJBJXKFSA-N 450.653 1.129 30 10 JDEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1760187086 HQPRCNKBSBEEQY-LJQANCHMSA-N 487.630 1.240 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1760258869 DBEVGRWFAFEPBU-OAQYLSRUSA-N 473.599 1.757 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1760260179 NLUDXLXTBXJNNM-UHFFFAOYSA-N 451.556 1.083 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOc2ccc(OC)cc2)CC1 1760261063 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CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 2282672196 GIHLBBYMIBBPLC-WMZOPIPTSA-N 463.384 1.907 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)n1 2282838599 RDNKYENJRZXBOG-UHFFFAOYSA-N 484.428 1.834 30 10 JDEE Cc1nc(NC(=O)CN2CC(CNC(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2284062822 IRNBBZZOGUTTAQ-UHFFFAOYSA-N 461.372 1.479 30 10 JDEE CC1(C)OB(c2cc(C(=O)N[C@H](COCc3ccccc3)C(=O)O)c(O)cc2O)OC1(C)C 2284462299 GCMWWVHXXMNGCT-QGZVFWFLSA-N 457.288 1.797 30 10 JDEE COc1ccc(C=C2Oc3cc(OCC(=O)N[C@@H](CC(N)=O)C(=O)O)ccc3C2=O)c(OC)c1 2297471833 XYKJTDUIRIHHPG-INIZCTEOSA-N 470.434 1.144 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315682859 BMVQHSJFPKPKQJ-KGLIPLIRSA-N 453.370 1.854 30 10 JDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cc(Br)ccc1O 2330743677 PEANBWLLGMCCFG-UHFFFAOYSA-N 469.365 1.883 30 10 JDEE NC(=NO)c1cc(Br)cn(Cc2ncc(I)cn2)c1=O 2381293013 IZMKOHUAAMKRJH-UHFFFAOYSA-N 450.034 1.148 30 10 JDEE Cc1ccc(/C=N/Nc2nnc(SCC(=O)N3CCN(Cc4nnc(C(C)C)o4)CC3)n2N)cc1 20918201 XMIRSCQJQZNPDM-WYMPLXKRSA-N 498.617 1.689 30 10 JDEE CCc1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnn4ccccc34)c2=O)c1 729670185 LBANFLHNEMOAPR-UHFFFAOYSA-N 485.569 1.471 30 10 JDEE NC(=O)CSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(F)cc3)n2)s1 1084605014 QHKPHDMJFXDNTE-UHFFFAOYSA-N 467.537 1.550 30 10 JDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1126274442 XWXSZGDMLFQMJL-MSOLQXFVSA-N 457.390 1.958 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)cc(F)c2C1 1286348906 AYVHBKMMUZFYKX-LJQANCHMSA-N 465.526 1.865 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSC(F)(F)F)CC1 1286492510 HLDKBNXLTGAZNE-AWEZNQCLSA-N 479.550 1.399 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCOC(C)(C)C2)CC1 1286495216 SSYFMWOUEIYVDF-SFTDATJTSA-N 488.633 1.079 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2nc(C3CC3)no2)CC1 1286585791 QGFHSTRSSZSOGV-HUUCEWRRSA-N 464.596 1.608 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1286712240 UVAFRBGCLQSXIE-SFHVURJKSA-N 486.660 1.711 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(=O)NCC)CC1 1286815129 MGKGAOQNZUJVBD-UHFFFAOYSA-N 498.613 1.788 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286816349 HSDPGDVAXHTNSS-UHFFFAOYSA-N 492.627 1.183 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1300410776 QNFWIAXSVAJCAK-FQEVSTJZSA-N 477.587 1.678 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cc(COC(C)(C)C)on1)[C@H]1CCS(=O)(=O)C1 1300480203 ZKEMXHXDKOTZFM-KRWDZBQOSA-N 492.602 1.394 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1300482652 GWNHNTGRLIIRFN-MBSDFSHPSA-N 491.614 1.853 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1300489851 UGXWLIWRKHKZEC-GOTSBHOMSA-N 485.654 1.981 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(CC)(CC)OC)[C@H]1CCS(=O)(=O)C1 1300497141 XONRNWMCUKLETP-SJORKVTESA-N 472.633 1.012 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn2ccc(C)cc2n1 1300579651 YBPWWABJWLJPHG-HXUWFJFHSA-N 481.582 1.078 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(OC(F)F)c1 1300579805 ZYWRACPDESALMH-QGZVFWFLSA-N 494.524 1.119 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2)CC1 1300724697 CAMYGXJVSOHKDV-FQEVSTJZSA-N 455.584 1.503 30 10 JDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1300775872 BQULWPJNBCHLEQ-INIZCTEOSA-N 450.586 1.855 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1300882490 VBQKHFDCOVUBKF-YLJYHZDGSA-N 477.635 1.958 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCN(C(=O)C2CC2)CC1 1301521056 YSSYSUDELWLDMJ-UYAOXDASSA-N 458.607 1.948 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(S(C)(=O)=O)CCC2)C1 1301544241 UZCOJGOETAZTEH-DYESRHJHSA-N 454.593 1.679 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1301585746 NUVYXSBRWFDKTO-BHYGNILZSA-N 465.601 1.858 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1301586151 QLOLMUJMBNEHKJ-KRWDZBQOSA-N 473.665 1.644 30 10 JDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1313497014 CKONQSKCDVBXGA-HXUWFJFHSA-N 494.600 1.837 30 10 JDEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCS(C)(=O)=O)ccc1OC(C)C 1315305442 ICLZLHYFXYOCPX-QGZVFWFLSA-N 463.560 1.904 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CC(=O)NCCC)c1 1358903486 YJYAMMWVSZLGJD-UHFFFAOYSA-N 462.558 1.722 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1358967624 OINNIWWGQULUSU-KRWDZBQOSA-N 462.572 1.653 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1SC 1358979387 KVHUSLRBHOJTEQ-IBGZPJMESA-N 473.624 1.762 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1359022903 QJHGVCNPVYTZHU-UHFFFAOYSA-N 461.570 1.826 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2ncccc2c1 1359025524 RJBQROKBORJMJZ-NRFANRHFSA-N 484.582 1.294 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(CC)CCCC2)CC1 1359040969 KTISJDOWWKALMS-QGZVFWFLSA-N 464.636 1.825 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2(O)CCSC2)CC1 1359045433 HGURDYDARWBQOD-HSZRJFAPSA-N 457.575 1.842 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N1CCCCC1 1359069911 BJCKKAPYNOWBBQ-PGRDOPGGSA-N 478.619 1.006 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)C)C1 1359099225 LHWJFYUFRCUBQA-WTGUMLROSA-N 483.635 1.453 30 10 JDEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359224012 DCJHECDKTBNMLG-IBGZPJMESA-N 457.531 1.650 30 10 JDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359345849 SHUNEHKCUUMHQD-HXUWFJFHSA-N 472.663 1.802 30 10 JDEE CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)c1 1475185963 GYKSUFPSQNVWPW-UHFFFAOYSA-N 459.553 1.688 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CCN1CCOC[C@@H]1C 1504873149 BUSDFPJODZYMMI-IBGZPJMESA-N 462.558 1.980 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1507562835 ACPAACKTDLACFQ-IAGOWNOFSA-N 492.568 1.487 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1507626053 MNSPZKJKSCRZAQ-UTKZUKDTSA-N 479.990 1.654 30 10 JDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1507627810 UCDNNWZBUVORGM-MBDNFAEBSA-N 472.611 1.987 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1507631366 CYRMTSCBIIZXGS-ARFHVFGLSA-N 483.641 1.067 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1507652402 GCEVZVKUMYAIRF-MSOLQXFVSA-N 463.604 1.756 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cnn(-c2ccccc2)c1 1507652657 IESWKFTXBLYRSM-QFIPXVFZSA-N 493.593 1.112 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1507744303 QTRPCEQUAAVWNQ-SFHVURJKSA-N 455.588 1.593 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507858628 GVQIBDUMWQEHNS-GDBMZVCRSA-N 454.936 1.461 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1508071686 LFFVLTULFODCQY-UHFFFAOYSA-N 457.579 1.045 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1508085727 WBMPEEZXDGGXOW-UHFFFAOYSA-N 450.528 1.471 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H]2CCOC2)cc1 1508101181 VUXOFSGBIMVPHW-CTNGQTDRSA-N 491.614 1.697 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)C2CCCCC2)C1 1508127668 WCLOWAZOAPBYFW-RTWAWAEBSA-N 496.678 1.657 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1508134224 QYJZAQCDFCOMIR-GOSISDBHSA-N 490.586 1.613 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccccc1 1510217240 HPAZWAOLBUHPIS-SJORKVTESA-N 481.586 1.313 30 10 JDEE C[C@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)CCCO1 1512525998 BQCUBZAFNBWGRW-UXHICEINSA-N 481.601 1.897 30 10 JDEE CCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)CCOCC1 1513616117 GPCTXLBPFJYEJF-IRXDYDNUSA-N 454.597 1.414 30 10 JDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1517680029 CTGONUISHCSBFO-ZWKOTPCHSA-N 488.570 1.010 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1539016453 UULMHJOOBYCVDZ-YUXAGFNASA-N 471.627 1.643 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1539225335 NBIZXAOWPGOVBF-AZUAARDMSA-N 485.610 1.419 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1539230308 LKMPXMXAIVXGCW-LJQANCHMSA-N 471.583 1.403 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(Br)n1 1539239407 LISLODSEQMSZPI-CYBMUJFWSA-N 451.350 1.167 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CSC)c1 1539265549 HTJPNXTWOISSBI-FQEVSTJZSA-N 473.624 1.595 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1539413001 GMFDWKAWKCMJCW-UHFFFAOYSA-N 470.555 1.647 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCc2nc(C)no2)CC1 1539484172 FQOGWOPFKPITJU-UHFFFAOYSA-N 468.587 1.924 30 10 JDEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539731072 XEXFAKWYZOZFAC-UXHICEINSA-N 482.585 1.775 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)NCC)CC1 1540862653 GLSTWJSXEFFTES-MRXNPFEDSA-N 459.526 1.711 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1540873693 GQSDBUBGEIMCMP-UHFFFAOYSA-N 498.584 1.334 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@H]1COc2ccccc2O1 1540874546 KIOQPWOTAOHTKL-SFHVURJKSA-N 451.531 1.718 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1540898558 NOPDGNXMELLJCZ-CQSZACIVSA-N 469.514 1.814 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N(C)C[C@H]1C 1540900392 UDJORTZYORNMKB-OAHLLOKOSA-N 463.560 1.230 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(N2CCOCC2)CCSC1 1541803062 BWDVJHXCUOAYHD-UWVAXJGDSA-N 468.649 1.126 30 10 JDEE COc1cc(OC)c(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)c(OC)c1 1554782709 BMCZJHKPGWAZPR-KSFYIVLOSA-N 458.494 1.940 30 10 JDEE COc1cccc([C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)N(C)C)c1 1554992217 GITWXRBFNXZQMC-UZLBHIALSA-N 475.619 1.940 30 10 JDEE C=CCN(C(=O)c1cc(S(=O)(=O)NCCCN(C)C)ccc1C)[C@@H]1CCS(=O)(=O)C1 1583031229 NCECWPMWCBWMGZ-QGZVFWFLSA-N 457.618 1.040 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCC(F)F 1587579063 COACTHVMQDYFKH-CYBMUJFWSA-N 454.503 1.035 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCN2CCSCC2)c1 1587689506 JJFUNBNCUQPAQC-UHFFFAOYSA-N 462.583 1.840 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@]2(O)CCO[C@H]2C)c1 1587697797 XYJLXLPWTAPKKJ-AVRWGWEMSA-N 460.538 1.860 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1587807916 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453.590 1.016 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1705936343 OZRKDAIXQIZYKJ-IBGZPJMESA-N 459.572 1.345 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705937760 DFXCWZDHTADTDC-GOSISDBHSA-N 474.587 1.322 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCc1nc2ccccc2[nH]1 1706870686 GZASQEMKLDQUIK-VLIAUNLRSA-N 460.539 1.839 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)OC)C1 1710349897 CTPOOLZRADRVRH-SFHVURJKSA-N 462.576 1.672 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722368628 SHJJOUFJPUEUDL-QZTJIDSGSA-N 487.582 1.116 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1722371203 HUOWZQXADFLTHH-HNNXBMFYSA-N 490.636 1.710 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1722372335 USBQTSYNLRIRGQ-SFTDATJTSA-N 463.648 1.484 30 10 JDEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)C1CC1 1722423054 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492.561 1.904 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1300484620 UHNONIAXRQZFQV-FQEVSTJZSA-N 475.578 1.953 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1300502837 YLAIYKPCSBDQJS-HXUWFJFHSA-N 485.610 1.669 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@@H]2CCS(=O)(=O)C2)n1 1300681011 JMLVTYLJQBLUEG-PKOBYXMFSA-N 462.576 1.047 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2cccnc2)C(C)C)CC1 1300684304 ZUXCBVLVNTWPPK-AZUAARDMSA-N 459.620 1.478 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1300719661 LBDHDAXTQUSXEH-HXUWFJFHSA-N 453.591 1.596 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1300729110 NFMAHTODAGYACC-FQEVSTJZSA-N 466.561 1.680 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2(OC)CCOC2)CC1 1300729319 VNXPAXRFSJOSHY-QFIPXVFZSA-N 458.588 1.405 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2COCCO2)CC1 1300730966 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CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC[C@H]1C 1306258591 BMILCVDXOJUEOY-YLJYHZDGSA-N 453.547 1.164 30 10 JDEE COc1ncccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1315673467 CQYFGEXDGCSBSV-QGZVFWFLSA-N 496.597 1.538 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1359018580 VUIOWRGSSBBENZ-IBGZPJMESA-N 467.574 1.269 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1359041953 NFSYYUHLTAVDRY-BKSPAHHJSA-N 471.602 1.877 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1359064885 CBLJQLUCMPSVGF-RPBOFIJWSA-N 480.569 1.186 30 10 JDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1359075807 GOHZXWXEAXMKLB-SJORKVTESA-N 467.412 1.970 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 1359076441 BVYRCENGQHMHGN-AWEZNQCLSA-N 495.407 1.390 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N(C)CCNS(C)(=O)=O 1359101317 NAKCFKKERJZONL-FXAWDEMLSA-N 451.568 1.975 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1C 1359275269 OTLNSKHCSWFMMC-QFIPXVFZSA-N 499.641 1.936 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1359330220 LCECJPZWODDJKC-UHFFFAOYSA-N 483.598 1.310 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1359342242 SIZGVKZCDDUYOG-INIZCTEOSA-N 458.548 1.778 30 10 JDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(Cc3nc(N)c4ccccc4n3)CC2)CC1 1459742308 CQPQLNTUNNWLPV-NRFANRHFSA-N 450.591 1.022 30 10 JDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCCC2)CCN1S(C)(=O)=O 1505285859 GOKJCWCSZPOVJE-SFHVURJKSA-N 488.614 1.894 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1507627354 SGPCNAFWILQLFP-RDPSFJRHSA-N 488.610 1.894 30 10 JDEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1507630094 SRZCPBNKBONYKP-KRWDZBQOSA-N 452.540 1.208 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1507710098 IMDWXPIGMUDJLL-OAQYLSRUSA-N 461.526 1.987 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1507711215 QLJPNRYYKPFPME-FYQPLNBISA-N 475.590 1.892 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1507745419 CAWCBSCPRQFPKD-HZPDHXFCSA-N 486.664 1.606 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1507745622 CPCQKWJHCXIHIE-LSDHHAIUSA-N 470.646 1.598 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1508091013 LBNMWFVMRLWGIE-HXUWFJFHSA-N 481.601 1.462 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1508143717 JSFUHXCYHPANJP-CVEARBPZSA-N 451.574 1.466 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC(NC(C)=O)CC1 1508160928 JPMPQEOLFFESOQ-AOCRQIFASA-N 455.650 1.983 30 10 JDEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1509945181 BOJFUJCFWRJLJD-SJLPKXTDSA-N 457.560 1.891 30 10 JDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)CC1 1515489122 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C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1539688550 HBYSETDHNHGBBV-UHFFFAOYSA-N 455.544 1.511 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1539915623 CGXOSLDEMOXEFQ-OALUTQOASA-N 477.635 1.390 30 10 JDEE C[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1541852973 APBILJRXSNPVGE-QUCCMNQESA-N 489.621 1.842 30 10 JDEE CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC1(N(C)C)CCCC1 1554126287 AGTSBPVJUMHPAH-UHFFFAOYSA-N 481.601 1.898 30 10 JDEE COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)c(F)c1 1554940109 GWJKTSNTFUPRKF-DENIHFKCSA-N 492.577 1.937 30 10 JDEE Cc1cc(N2CCC(NC(=O)[C@@H](CC(C)C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)n[nH]1 1556261214 DDXQAUJQXCKPKG-GOSISDBHSA-N 458.588 1.957 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCS(=O)(=O)CC=C)c1 1587689539 KGKWVVAOCNKPFG-UHFFFAOYSA-N 464.551 1.997 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1587765542 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1588955200 RDJXCKOZRMIUHD-UHFFFAOYSA-N 476.585 1.697 30 10 JDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1594628088 YYCRPDBUGYUWKR-DLBZAZTESA-N 464.592 1.303 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1595517454 YYZIPHVYDUYPIY-HNNXBMFYSA-N 466.995 1.666 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)N1CCOCC1 1595658374 BSPYZUNHNJZSFZ-GOSISDBHSA-N 454.531 1.137 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1595789403 SCUXZFBGVFEJGP-ROUUACIJSA-N 463.535 1.547 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1595831179 NBICUBALUJRJRH-CYBMUJFWSA-N 460.482 1.966 30 10 JDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C)(C)S(=O)(=O)CC1 1626713333 GKLSQAJGPSDZGR-INIZCTEOSA-N 455.602 1.710 30 10 JDEE C=CCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)C(=O)OCC 1635699382 VUJKJSBJHDTORP-LJQANCHMSA-N 451.545 1.167 30 10 JDEE 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465.327 1.851 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1690725645 XHZXTXLKDXQJNF-VGOFRKELSA-N 464.563 1.993 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CC2)c1 1705507220 VMWDLQYDZQURMI-HXUWFJFHSA-N 486.598 1.467 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1cn[nH]c1 1705591175 IAMGOYHEXSXXLE-UHFFFAOYSA-N 451.556 1.624 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCNS(C)(=O)=O 1705694766 FCCRLNWYBYHRSC-XLIONFOSSA-N 477.587 1.683 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(=O)N(C)CC)C1 1705922428 MWYNZIAYHLKEOX-MRXNPFEDSA-N 461.592 1.498 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](COC)C1 1705931379 OBMCDYMOMWVZIQ-GOSISDBHSA-N 472.571 1.788 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CN2CCCC2)cc1 1722294703 HQSZKYDOGDUZQQ-DENIHFKCSA-N 486.642 1.713 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[S@@](=O)C(C)(C)C)c1 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C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1748994851 UGZVLWOMDXPLNK-NRFANRHFSA-N 486.642 1.109 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1749009662 VAOCKKCLSFBYBI-IBGZPJMESA-N 482.589 1.862 30 10 JDEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1749199482 SUQFSLPTESYSBP-UHFFFAOYSA-N 473.607 1.269 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(C)(C)C1 1749457035 DZPVFGNDAYUFLV-MRXNPFEDSA-N 459.638 1.536 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749672065 OUNJFOMSZUXCFA-UHFFFAOYSA-N 460.604 1.340 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@]1(O)CCSC1 1750965220 HQCCHMLQBCIQJZ-QFIPXVFZSA-N 473.578 1.622 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1760130882 NFURAQQNRMITNP-KGLIPLIRSA-N 464.514 1.197 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)nc(N2CCCC2)c1 1760174610 GXBRGSAIRNVDFX-IBGZPJMESA-N 473.603 1.032 30 10 JDEE 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CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337183752 MMADOSFHHYGGLC-ZIAGYGMSSA-N 450.345 1.083 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]2(C)CN(C(=O)OC(C)(C)C)CC2(F)F)n1 2361662885 PUTOVNOBRLQHAZ-IBGZPJMESA-N 471.314 1.489 30 10 JDEE C=CCN1C(=O)[C@@]2(C(C(=O)OC)=C(N)Oc3cc(C)n(C[C@@H]4CCCO4)c(=O)c32)c2ccccc21 16779506 HXYNBUCABIFYIB-QMTYFTJSSA-N 477.517 1.890 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)CC1 27165431 LBYGNDDEKLMLHW-UHFFFAOYSA-N 472.567 1.556 30 10 JDEE Cc1ccc(/C=N/Nc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@@H](O)COc2cccc(C)c2)cc1 33928702 XHGLQBWKILNTQF-KXQYEYADSA-N 476.537 1.936 30 10 JDEE NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)S/C(=C\C(O)=N\c3nccs3)C2=O)cc1 39793291 XEFQGSUPRSWHQH-XFFZJAGNSA-N 467.510 1.597 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1C[C@@H]1CCCO1 603797322 DHMSQINXUQVTKU-HNNXBMFYSA-N 463.481 1.913 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1-c1ccccc1C#N 604006450 GZGCQVBYYFWKHD-UHFFFAOYSA-N 470.510 1.347 30 10 JDEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cnn(-c4ccccc4)n3)c2=O)c1 726580858 ZHTBAIZDPHPNDJ-UHFFFAOYSA-N 480.553 1.489 30 10 JDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)N(C)C2(C#N)CCCCC2)[C@@H](C)O)cc1C 777310975 VQYKWWBJZJMQPW-XLIONFOSSA-N 465.572 1.559 30 10 JDEE C=CCn1nc(C)c(C=NNc2nc(SCC(=O)N(C)Cc3nnc(CC)o3)n[nH]2)c1C 1084184857 LORNFJBUKBAXDN-UHFFFAOYSA-N 458.552 1.946 30 10 JDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1136009334 NJZVTJJXFAKILY-QGZVFWFLSA-N 459.572 1.707 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CC2(C(N)=O)CCOCC2)c1 1286310781 ZHHODVAGKFGFAX-UHFFFAOYSA-N 473.537 1.678 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1286380916 JYRBDNYZZLDIKR-RBUKOAKNSA-N 464.636 1.117 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1286394413 OODBWDYDIBGVTR-VQTJNVASSA-N 465.664 1.850 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(OC)CCOC1 1286428029 OYAJBTGXBWWQLU-CYFREDJKSA-N 473.574 1.855 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCC(F)(F)F)nc1 1286461115 NLZOUVAXTNEMMO-UHFFFAOYSA-N 466.464 1.985 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C)o3)n2CC(=O)N2CCOCC2)n1 1286470859 DFRGCCAZJAQKHG-UHFFFAOYSA-N 467.530 1.188 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1286505146 VQVSVENSINUKFP-OAHLLOKOSA-N 451.556 1.225 30 10 JDEE C=CC[C@@H](Cn1c(C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccccc1 1286678469 XNJJFHWUTYJXNB-NRFANRHFSA-N 452.559 1.454 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1286700913 SOXFHHLVENKNTR-KRWDZBQOSA-N 497.618 1.796 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1286784142 XLCLNVVRILQEHW-MRXNPFEDSA-N 463.560 1.278 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nc3cc(OC)ccc3n2C)C1 1286799828 ASSPAKKBZKMWSS-WBVHZDCISA-N 489.602 1.613 30 10 JDEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1286823793 REUNIPYYRYKLMH-SFHVURJKSA-N 479.628 1.431 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)N2CCCC2)CC1 1286824498 ZSUAMPRUFRSDOI-UHFFFAOYSA-N 489.646 1.579 30 10 JDEE CCN(C)C(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C#N)CC1 1295058004 FXUYAQYPPQDDDJ-UHFFFAOYSA-N 458.592 1.765 30 10 JDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1299261802 GNACXBXBFSFWHM-UHFFFAOYSA-N 486.598 1.803 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1300481524 ATQWBFAQQKHNRC-PBYQXAPXSA-N 457.581 1.355 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1300483410 LKKRALDRWCFAJA-COPCDDAFSA-N 468.620 1.497 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1300504650 PKLNOKASPAUGNN-RBUKOAKNSA-N 460.604 1.582 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC(F)(F)C1(OC)CCOCC1 1300505742 HQYLSGOJIROIJF-UHFFFAOYSA-N 458.469 1.829 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)N1CCOCC1 1300664007 MSWKWVHDYPEKFU-UHFFFAOYSA-N 493.568 1.010 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc(C(C)(C)C)s1 1300671704 MRYQAVCPBCPZCR-AWEZNQCLSA-N 452.606 1.464 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(CC)nn(C)c1CC 1300805895 KNBHEHRDEJLARA-NZQKXSOJSA-N 489.646 1.510 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(CCOC)C(=O)C1 1300823353 DIVFKKNMCYICLO-UHFFFAOYSA-N 457.373 1.400 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1301105362 HWOTZVJQPBPKPQ-OAHLLOKOSA-N 484.623 1.584 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1301496869 JFDBWIYXZPNFSV-IBGZPJMESA-N 487.630 1.782 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1301507152 YJSKZPNLONWCNC-SFHVURJKSA-N 453.547 1.220 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Br)ccc1OC 1358949311 YIXDNGKMXURAMW-QGZVFWFLSA-N 498.403 1.500 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1358963643 LQPFAQOFBXSSPO-JKSUJKDBSA-N 468.626 1.111 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1358967810 SOMKLGOJNWQZDK-HXUWFJFHSA-N 450.543 1.562 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC2(COC)CCOCC2)CC1 1359044298 BLSWZFBZCTZCIM-HXUWFJFHSA-N 459.591 1.929 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[C@@H]2CC)CC1 1359045350 DGEYHVFTBXJNNO-DFQSSKMNSA-N 461.632 1.972 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CCOCC1 1359070375 LPZCCUFVANHHJZ-FXAWDEMLSA-N 483.660 1.515 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1359142964 RKRAILYAMMUKDW-AWEZNQCLSA-N 469.955 1.876 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCCO[C@@H](C)C2)CC1 1359165583 RXXLUKVUWNZICQ-VQTJNVASSA-N 482.651 1.268 30 10 JDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1359198172 KKJXPNNQIAMDRL-GOSISDBHSA-N 467.640 1.973 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1359301820 MBSSUHRXAQJCQX-INIZCTEOSA-N 487.555 1.238 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)ccc1F 1466737548 PXVSUHIWJLVDFF-ZBFHGGJFSA-N 452.508 1.779 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(CN4CCCC4=O)n3CCC(C)(F)F)CC2)c1C#N 1492727748 GDSIDWCLVQXDDZ-UHFFFAOYSA-N 461.521 1.686 30 10 JDEE COc1ccc2c(c1)nc(Cn1c([C@@H]3CCS(=O)(=O)C3)nnc1N(C)C[C@@H](C)C#N)n2C 1504316586 AVPPIINAAVZSKP-LSDHHAIUSA-N 457.560 1.720 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCC(=O)NC(C)(C)C)c1 1507547484 LOQAKBOYCXEENM-UHFFFAOYSA-N 467.574 1.777 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCCN2CCOCC2)c1 1507549034 XVUSDIYUTIHLAK-UHFFFAOYSA-N 479.585 1.293 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1507589379 WJWIYVOZTFITSZ-GOSISDBHSA-N 451.593 1.898 30 10 JDEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1507632062 ISTVYCKTSVUPNV-HKUYNNGSSA-N 473.603 1.114 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCn1cc([C@H]2CCOC2)cn1)[C@@H]1CCS(=O)(=O)C1 1507633260 FHGCWPMHXYUODO-AZUAARDMSA-N 474.631 1.894 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1507639895 MWIQZJYNVDUZAN-IBGZPJMESA-N 484.582 1.698 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](CC(C)C)NC(=O)OCC 1507668885 FAFALAUAXLSCGS-OALUTQOASA-N 463.604 1.804 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCOc3ccccc32)CC1 1507722366 VKAZHZMHKVDCPT-MSOLQXFVSA-N 458.588 1.210 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(N3CCN(CC)CC3)nc2)CC1 1507736448 PHKNNIKGJKZCFF-UHFFFAOYSA-N 450.591 1.138 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](COC)OC)CC1 1507742966 TZZJMCOPRBCASH-KRWDZBQOSA-N 461.513 1.774 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1507791923 TZWVKLLIEIOLIS-IFMALSPDSA-N 487.649 1.532 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C(=O)NC)C1 1507797493 POHKTKLXVAGPAL-XKQJLSEDSA-N 479.379 1.968 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1507845244 YHEVNLSBSVHLCB-PZJWPPBQSA-N 496.678 1.514 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1507933757 BASJJXHZBADMMS-BZSNNMDCSA-N 466.608 1.215 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CN1CCCCC1)C1CC1 1507993936 WAROEXTUGZKKNT-QUCCMNQESA-N 466.652 1.888 30 10 JDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1508042471 LGHHJZQMGLVZAV-UHFFFAOYSA-N 451.491 1.169 30 10 JDEE C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1508065527 GMVQPZHCAXMMJD-UHFFFAOYSA-N 452.559 1.931 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1508086494 ZQOVTWZAZSIMOV-SFTDATJTSA-N 494.644 1.193 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1508093146 UBNFRCQCXKIWRX-LJQANCHMSA-N 470.622 1.821 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1508130913 KAFAOHCZDPYGFD-WBVHZDCISA-N 458.588 1.966 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1508138956 BCHPXVBPWRWRPG-WIYYLYMNSA-N 486.598 1.972 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1508139434 GQBYHJFXDOAYRJ-KRWDZBQOSA-N 469.571 1.399 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOC2=O)C1 1508196453 FIBUAFNMTRXQON-FQEVSTJZSA-N 481.557 1.876 30 10 JDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(COC)CCOCC1 1513977764 CUDNBGPMGHXIMG-FQEVSTJZSA-N 468.558 1.887 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1516974448 FRXSMNMIJIAREB-UHFFFAOYSA-N 499.641 1.384 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(F)cc2)C1 1519562718 HVMDKXFKKKZVNJ-QFBILLFUSA-N 452.487 1.240 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCC[C@H]1CO 1539016448 UULMHJOOBYCVDZ-NYVOZVTQSA-N 471.627 1.643 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1539221469 ONVOWDYIDCHKQV-OPYAIIAOSA-N 467.661 1.236 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1539231796 YJTODDMBLOJIAO-FQEVSTJZSA-N 468.583 1.882 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(SC)CCC1)[C@H]1CCS(=O)(=O)C1 1539232104 ZUZMGCBDMLHGJZ-BZSNNMDCSA-N 468.645 1.915 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccn2)CCC1 1539416539 OUSLLJRVDIRMDO-LJQANCHMSA-N 488.614 1.214 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)c2ccsc2)CC1 1539466574 CECVUORSCODTPO-XMMPIXPASA-N 493.593 1.860 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1539488068 GCIFJOTYGJDQCV-FQEVSTJZSA-N 469.634 1.487 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1539612091 IHPAXGDMDVSHQI-SQNIBIBYSA-N 453.609 1.801 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1539803748 MUSCMXQMRBITQY-ZDUSSCGKSA-N 455.928 1.879 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1539915620 CGXOSLDEMOXEFQ-MOPGFXCFSA-N 477.635 1.390 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1OC 1540074005 WIIRMGXFTRVNGQ-KRWDZBQOSA-N 455.968 1.944 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN2CCN(CC)CC2)C1 1540891943 CHJOYWJULAESOT-PCCBWWKXSA-N 480.679 1.235 30 10 JDEE Cc1nc(C)n(C[C@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCNS(C)(=O)=O)C2)n1 1543076053 FPRXBHYNJLIUGI-IBGZPJMESA-N 483.602 1.491 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1CCOCC1 1545916355 DGZYWTFXOURNPY-UHFFFAOYSA-N 483.621 1.863 30 10 JDEE CCC[C@H](C)C(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1546858726 AJPICWMVAQNIPX-SFHVURJKSA-N 476.589 1.824 30 10 JDEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)CC1 1547794960 CBPJYWFRXKOSLF-UHFFFAOYSA-N 453.503 1.938 30 10 JDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cccc(OCC(=O)N(C)C)c2)CCOC1 1547891755 DDPICZDPIKZGEZ-RPWUZVMVSA-N 486.548 1.887 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC1 1554164871 AWUVTWZOWCHPDY-HXUWFJFHSA-N 473.603 1.215 30 10 JDEE N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCNC(=O)C2CC2)CCO1 1555991987 CHXKFUTYBAXDDH-KRWDZBQOSA-N 457.922 1.116 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N1CCN(CC)CC1 1587621728 XYRMGDPNNRGOQD-OALUTQOASA-N 462.602 1.676 30 10 JDEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1587712271 RCIGQOFWIZUFSS-KRWDZBQOSA-N 454.531 1.988 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OCCCN(C)C)cc2)CC1 1588806017 DUERLVBZVQVKCN-JOCHJYFZSA-N 465.602 1.363 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1588930374 UQESWFPFENGBLL-NRFANRHFSA-N 494.596 1.263 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCCS(C)(=O)=O)CC1 1588947501 QNSVMJUFFSUOPC-UHFFFAOYSA-N 461.563 1.409 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCOC)CC1 1589544963 KWHDUIGBDCBSSS-ZCNNSNEGSA-N 495.646 1.140 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1595798218 NPVRAZZHLQXJNI-ROUUACIJSA-N 451.593 1.364 30 10 JDEE CC(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1607417852 ASENGXVPKOLOLY-FQEVSTJZSA-N 473.603 1.465 30 10 JDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1611330379 DJVPXGXDJKRNER-HXOBKFHXSA-N 469.615 1.725 30 10 JDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)c1 1616159693 RSELVMKVEBGJOW-LJQANCHMSA-N 458.515 1.898 30 10 JDEE CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCCC1 1618314683 GTNCOTRTDKEOGD-UHFFFAOYSA-N 462.576 1.409 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NC)ccc1F 1628543214 UNNDEJQCIVGRKG-IBGZPJMESA-N 458.515 1.858 30 10 JDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)[C@H]1CCS(=O)(=O)C1 1666188376 WPVNPTRXDKLWGX-XMMQZVGTSA-N 452.558 1.154 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)N(CC)CC 1689965696 BIKFYJAQKQJAJZ-RTWAWAEBSA-N 474.631 1.764 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689978244 QCNTXMMDLJPJQB-ZWKOTPCHSA-N 473.603 1.282 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1689980906 ZFTRQXJXJGONBQ-PMACEKPBSA-N 485.610 1.964 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccco1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1689988293 MERUGJOJLCWFDN-GBESFXJTSA-N 488.614 1.532 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)c2cccs2)CC1 1690110361 ITIZSPKEFNLRST-JOCHJYFZSA-N 451.556 1.650 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1690228736 DOAIRIGIJYFWIS-GVDBMIGSSA-N 488.452 1.636 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccccc2)C1 1690715599 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C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705792136 NPGBBJIFAHOEAZ-DLBZAZTESA-N 489.664 1.227 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3cccc(F)c3C#N)CC2)nnc1[C@@]1(OCC)CCOC1 1705908407 BONPYEMEMJXWSO-XMMPIXPASA-N 483.548 1.570 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1705946588 LMDRYKVDGNFKMO-KURKYZTESA-N 470.665 1.203 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1722358492 IKASGEUCVIJCBZ-IBGZPJMESA-N 462.620 1.015 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1722367132 LZWHZDHYWITQNI-QZTJIDSGSA-N 460.556 1.496 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1722371830 LZECCWDIFYCEBN-IBGZPJMESA-N 484.582 1.224 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)cc1OC 1722414242 YEYPKCLCBYSYIH-HXUWFJFHSA-N 477.587 1.330 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2c(OC)cc(OC)cc2OC)CC1 1722429036 FXXIOIYATXNTNH-UHFFFAOYSA-N 470.574 1.440 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(N(C)C)nc2)CC1 1722443025 ACYMVYLEIDDOPQ-SANMLTNESA-N 495.628 1.794 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1722446043 KQXYFZGTCNGVAJ-HXUWFJFHSA-N 466.590 1.058 30 10 JDEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1)c1ccccc1 1722594416 KWSVBEYSFCYBQD-RNQOJCNYSA-N 472.615 1.963 30 10 JDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1722685001 ICUSBAMGFNGSBK-UHFFFAOYSA-N 478.601 1.851 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1722728067 NNFJZGRRRANGBX-QGZVFWFLSA-N 496.611 1.189 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1722731429 KNSNQOQCHXMGIF-UHFFFAOYSA-N 459.572 1.577 30 10 JDEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)NCC)CC1 1722735029 IZZAFFADBPRACJ-UHFFFAOYSA-N 472.615 1.894 30 10 JDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)CN2CCOCC2)C[C@H]1C 1730788318 FHIUKWVBKIBXEC-NHCUHLMSSA-N 467.618 1.942 30 10 JDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1740661031 NNLGKQBGAIMOHB-RNIPGJKVSA-N 452.559 1.463 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC[C@@H]1NC(=O)NC1=O 1740675032 CCDOJQAZQWJBQK-HOTGVXAUSA-N 459.551 1.798 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC1CCCCC1 1740685699 LCFZPBMWIGOWHZ-QGZVFWFLSA-N 451.593 1.105 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(N(C)C)CCC2)CC1 1740696651 ZRTKBIPZJIVLPU-FQEVSTJZSA-N 487.649 1.826 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1740700998 QKIAXGLLVQBIEW-RBUKOAKNSA-N 457.623 1.503 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1740702517 RBJWPSLIROXZSL-IQGLISFBSA-N 484.576 1.590 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)COC)CC1 1740702911 BAHDTXULIYMVLO-KRWDZBQOSA-N 473.599 1.597 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC(=O)NC)CC1 1740702928 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1.905 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1359333750 INTGQRHKMHOWAN-RBUKOAKNSA-N 461.563 1.856 30 10 JDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359343947 GTVAXQSLYBZZCR-IBGZPJMESA-N 455.588 1.950 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCOC1 1360707576 GTZCEAVUFMBXGY-NQIIRXRSSA-N 487.630 1.509 30 10 JDEE CCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)CCOCC1 1497801967 BKPZPCDESOZGRV-SJORKVTESA-N 454.597 1.556 30 10 JDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)C1 1503871721 AXTSDHOPZXJXHI-IBGZPJMESA-N 468.558 1.839 30 10 JDEE COC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)OC 1504586793 BMKZGEAEFGEWJF-UXHICEINSA-N 453.547 1.084 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCCN(C)S(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1507630187 UREBOWFNPOOEEH-KRWDZBQOSA-N 497.618 1.383 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCN(CC(F)(F)F)CC2)CC1 1507716123 MXDLATYHXGJZAR-UHFFFAOYSA-N 455.529 1.446 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCCC1=O 1507820778 MUJFGEPCZKYDSL-IBGZPJMESA-N 482.651 1.806 30 10 JDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1507828679 BCHPPZBKMXHRMS-UHFFFAOYSA-N 481.648 1.580 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1508075240 UXMBHXKHNRRGLQ-UHFFFAOYSA-N 493.410 1.922 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1508148971 ZQPAMLDICXULII-QZTJIDSGSA-N 453.609 1.719 30 10 JDEE CC(C)(C)OC(=O)N1CC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)C1 1508631013 DEOICCUKEFJAGD-FOIQADDNSA-N 468.555 1.489 30 10 JDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1539089972 WFAQTMUBNUOKDC-UHFFFAOYSA-N 471.993 1.533 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1539230468 MVABNINIDNYESW-AUSIDOKSSA-N 485.566 1.161 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H](CCC)OC)CC1 1539476871 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C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(OC)CCCC2)c1 1587683088 AUMXJTQSHYSRDV-KRWDZBQOSA-N 488.614 1.904 30 10 JDEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(O)CCS(=O)(=O)CC1 1587932105 LTKCRTCQTHXFSK-UHFFFAOYSA-N 483.388 1.725 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1588034271 CHNCCVRHNQHBSR-UZLBHIALSA-N 456.634 1.699 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588074545 OKFYAMBIGDKNFI-CTWRKMMKSA-N 493.674 1.749 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(C)COCCO1 1588581648 ZJZLJECAKKOYBO-IBGZPJMESA-N 452.353 1.938 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCS(=O)(=O)C1 1588629124 YJFRXQWFKVUFLC-SFHVURJKSA-N 454.556 1.652 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1CCC(=O)N1CCOCC1 1588673167 MJVBLYBKLBOSSR-UHFFFAOYSA-N 450.543 1.685 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCOCC1 1588697436 SHWUUGBZWAGZPL-HDICACEKSA-N 490.605 1.417 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C2CC(C(C)(C)C)C2)CC1 1588835546 AXIHQLDXSPBOOB-CTWPCTMYSA-N 464.636 1.363 30 10 JDEE C=CC1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCNS(=O)(=O)CC)CC1 1594230023 XGCAFCLQAMPACC-UHFFFAOYSA-N 481.648 1.580 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1594626272 LQTBOKFVHAXRQS-FUHWJXTLSA-N 454.597 1.024 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(OC)c2)CC1 1594733790 YJVYIRJJAFVYLX-OAQYLSRUSA-N 490.630 1.912 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1595219589 XKZNUAIHBNYQQT-JQVVWYNYSA-N 465.620 1.995 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1595496693 DLFMREHAGNTPSV-CVEARBPZSA-N 486.529 1.208 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1595822658 IMXWOCJTVDULIL-AZUAARDMSA-N 473.599 1.790 30 10 JDEE CC(C)C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)N(C)C 1603223293 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478.619 1.405 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1740708541 STOJAXCZNAKLFG-NRFANRHFSA-N 462.598 1.944 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1740717307 OQJBEPGHIILNBG-OAHLLOKOSA-N 493.577 1.442 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1740721665 PPRKMGFCFDEOMT-QGZVFWFLSA-N 455.613 1.813 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1740950460 QENQCDVKXKILQY-INIZCTEOSA-N 470.596 1.291 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740964035 FRZZPFRJOZZJFJ-INIZCTEOSA-N 459.938 1.369 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1740964128 IRBOZVYXIJOTCH-HSZRJFAPSA-N 473.599 1.737 30 10 JDEE C=CCNC(=O)Cn1c(N2CCCN(C(=O)C3CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740965763 SJKCKMCHBYMOES-HSZRJFAPSA-N 460.579 1.070 30 10 JDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)[C@@H](C)C1=O 1741560147 HJWUNRNTSLJSBF-HNNXBMFYSA-N 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C#CCN(c1nnc(-c2ccc(C)o2)n1CCCCN1CCC[C@@H]1CO)[C@@H]1CCS(=O)(=O)C1 1358958085 HIHLLNUVGFJRPO-WOJBJXKFSA-N 475.615 1.710 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1358966790 WYFPMAAUGWKEMN-GOSISDBHSA-N 475.546 1.223 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(S(C)(=O)=O)CC1 1358972008 QCIZEGLTIXSFIM-UHFFFAOYSA-N 458.540 1.621 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(C)OCCc3sccc32)CC1 1359029089 OKJJGDFQJOZQRM-IERDGZPVSA-N 478.644 1.193 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCNS(=O)(=O)CC)CC1 1359030637 AAFFTIWGISQXPC-UHFFFAOYSA-N 468.530 1.241 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)cc2C)CC1 1359044665 LMRHUHQUNUZEKR-NRFANRHFSA-N 463.586 1.618 30 10 JDEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359080976 KKXSLCUSNWGCBA-UHFFFAOYSA-N 462.352 1.422 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1359100623 DOQROKNRXYKKGE-XLIONFOSSA-N 463.608 1.375 30 10 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495.649 1.648 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCCC1 1507711319 UBYBVNYZDCDEJQ-SFHVURJKSA-N 463.579 1.978 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1507734516 YLTDAXHEGYVGSR-PMACEKPBSA-N 458.607 1.833 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2ncccn2)CC1 1508072623 HDNATNLZEGBZNL-QGZVFWFLSA-N 466.521 1.976 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ncc(Cl)n1C 1508083714 AJNIEGDNAZJKEM-UHFFFAOYSA-N 453.938 1.842 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(CC)C(=O)C1 1508134196 BZDCBPQNDYCGDD-UHFFFAOYSA-N 495.627 1.008 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1508145610 NHUWEOAHVWXJSJ-UWJYYQICSA-N 495.596 1.905 30 10 JDEE COCCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCS(=O)(=O)C1 1519158145 AQAOAUZSNMONEX-INIZCTEOSA-N 481.600 1.150 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@@H](C(N)=O)[C@H](c4ccccc4)C3)CC2)cc1 1525486838 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C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCOC[C@@H]2C)n1 1539422820 MCPZUGJMGSEJRM-VQTJNVASSA-N 469.590 1.669 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1540126357 FIYJUKUYWKWEDI-DENIHFKCSA-N 457.556 1.743 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1540864729 JDNZIGJDBDEPIP-KSFYIVLOSA-N 456.503 1.930 30 10 JDEE CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1543376892 FRVGFVWGJDLAEP-IBGZPJMESA-N 451.552 1.817 30 10 JDEE CCN(CCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1)S(C)(=O)=O 1547575132 DTEPCYJJDNRLCY-SFHVURJKSA-N 450.540 1.408 30 10 JDEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)CC1 1554542161 BINNVWBAIDSAKC-UHFFFAOYSA-N 490.586 1.446 30 10 JDEE Cc1cc(C(=O)NC2CCN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)no1 1564689235 FKQVZDAVWKGFGT-IBGZPJMESA-N 450.499 1.560 30 10 JDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC1(O)CCS(=O)(=O)CC1 1587921790 JLTDHNZDRIBWAK-UHFFFAOYSA-N 456.366 1.055 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1588035345 SHIVDXKCLQDVTP-WMZOPIPTSA-N 482.509 1.589 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1588049898 NALMRVIAYIWONR-INIZCTEOSA-N 459.601 1.567 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(COC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1588053027 ADAXXGGVZXCOLR-ROUUACIJSA-N 463.604 1.453 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C2CC2)N(C)C)CC1 1588836133 GRKQRLBAVDCHNZ-RTWAWAEBSA-N 487.649 1.682 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(N(C)C)CCCC2)CC1 1588864982 OCJQMPSGOAQUOR-UHFFFAOYSA-N 455.632 1.899 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCN1CCN(C(C)=O)CC1 1595234821 ZYLCSRNLUVRKKR-UHFFFAOYSA-N 479.629 1.913 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccc(OC)cc1OC 1595405634 UZSXMRCOMRKITJ-LJQANCHMSA-N 465.576 1.841 30 10 JDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCS(=O)(=O)c1ccccc1 1616913367 BCSCNGFAUZBWAF-UHFFFAOYSA-N 481.582 1.882 30 10 JDEE CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1623893475 CWKIVJXVEQYTIS-IBGZPJMESA-N 450.605 1.556 30 10 JDEE C=CCOC[C@@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1)C(=O)OC 1634058358 AJWZINFXSRCOGN-MOPGFXCFSA-N 452.529 1.293 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 1636270352 DPUWHYYDIJMBEI-MRXNPFEDSA-N 454.556 1.459 30 10 JDEE C#C[C@H](NC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1)[C@@H]1CCCO1 1681592970 JJVOYIWBGBOYBM-JYJNAYRXSA-N 453.280 1.655 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccccc2)c2ccc(OCC)cc2)CC1 1681996978 GYROUUJRKZSDER-QFIPXVFZSA-N 456.568 1.970 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1c(F)cccc1F)N(C)C 1689826079 HUSWEFMRZVLPCN-GRDNDAEWSA-N 454.547 1.927 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(C(N)=O)CCOCC1 1689833745 POAGWINIGHCRKC-HNNXBMFYSA-N 457.531 1.711 30 10 JDEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1689903900 CMWQPZRUVUJFPN-UHFFFAOYSA-N 468.533 1.727 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1689966074 KMMXHYIGSKOANZ-RTWAWAEBSA-N 457.600 1.541 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1689977696 AUDXRRYIOLMRKY-GDBMZVCRSA-N 464.617 1.612 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccccc1-n1cccn1)[C@H]1CCS(=O)(=O)C1 1689977827 DSAGPKFLIFDOIR-IBGZPJMESA-N 481.582 1.277 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1689978424 VHPLFHAEPJTCAM-CVEARBPZSA-N 453.634 1.575 30 10 JDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1689980792 XRVRRZPLOSRJEG-HUUCEWRRSA-N 461.382 1.537 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1689996457 IMXVQTCLEGCRJO-IAQAZVPISA-N 492.623 1.404 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccccc1CN1CCCC1=O)[C@H]1CCS(=O)(=O)C1 1689997241 YIZFHFYNBWBCRJ-NRFANRHFSA-N 485.610 1.612 30 10 JDEE C#CCN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCN1CCN(C(C)=O)CC1 1690068066 WRBURGFASSNWIV-UHFFFAOYSA-N 454.575 1.976 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@](C)(O)CCOC)CC1 1690113153 ARSWBGTUIBSLCD-HXUWFJFHSA-N 465.396 1.589 30 10 JDEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690292813 VCTQKUDAVWAUBR-QFIPXVFZSA-N 487.674 1.737 30 10 JDEE CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1695758528 GFEMBHPTGHLWEP-CVEARBPZSA-N 468.580 1.166 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1705510753 XYOAUINMVCRKHE-HXUWFJFHSA-N 479.695 1.687 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCC2)CC1 1705516805 JCDBJUFKYYDCSB-FQEVSTJZSA-N 464.636 1.479 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1cscc1C)[C@@H]1CCS(=O)(=O)C1 1705560844 LGUISDKNFPBFDW-NQIIRXRSSA-N 464.613 1.975 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(C(=O)NCC)c1)[C@H]1CCS(=O)(=O)C1 1705565660 JEPVYWKHUKFYJB-RTWAWAEBSA-N 485.610 1.597 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCO[C@H]1C 1705590899 YZZWSERFTPGKLT-MBSDFSHPSA-N 470.599 1.549 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)c(OC)c1 1705628608 LHPQOWXLXQNOMP-INIZCTEOSA-N 452.964 1.977 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCC[C@H](O)C2)n1 1705631761 PJVWVIHMFZLFQL-RXVVDRJESA-N 452.563 1.712 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1705664062 IYRAIOHLUCQMLS-QFIPXVFZSA-N 454.604 1.992 30 10 JDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nc(CCOC)no1 1705679065 ATVJHFLFOHZREA-UHFFFAOYSA-N 454.329 1.631 30 10 JDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1705806070 WELKWKZHWPCXMP-ROUUACIJSA-N 464.636 1.326 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1705931839 CDXINHWCRRCUKA-UHFFFAOYSA-N 472.546 1.862 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1705936255 MOQAPJCUTWSVFF-MOPGFXCFSA-N 465.620 1.863 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C)CC1 1705946473 IUQIWUNSNIJLBJ-QGZVFWFLSA-N 463.633 1.524 30 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493.659 1.423 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(cccc2OC)C1 1722460897 JTGAJIJFCWAFFM-FQEVSTJZSA-N 491.639 1.549 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)(C)C)CC1 1722483761 CQAQJQHNYVSUFG-HNNXBMFYSA-N 491.456 1.440 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C 1722667895 YFCAPDFRMHMDRR-UGKGYDQZSA-N 495.603 1.930 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC)C[C@H]1CCCO1 1722696684 CGUOGYXMDAAYFJ-MRXNPFEDSA-N 461.592 1.546 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1722723583 ACMPYAGTDCYZSW-OAHLLOKOSA-N 497.419 1.458 30 10 JDEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)c1 1724188332 FFBPSPHJLVMMSV-IBGZPJMESA-N 475.571 1.142 30 10 JDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1728185451 BIHBSZFRCKDYKE-UHFFFAOYSA-N 473.603 1.593 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1740619630 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CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@]1(O)CCO[C@H]1C 1292116532 CVFKEWPGZPSHLE-BXKMTCNYSA-N 482.589 1.330 30 10 JDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(N(C)C)CCSC2)CC1=O 1298891868 DSYALOQVNIXZTF-JOCHJYFZSA-N 455.588 1.444 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)c(F)c1 1300308272 OGWBLRIACFVURK-DNVCBOLYSA-N 464.567 1.322 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc([C@H]2CCOC2)cn1 1300577844 CQWHDCMQJUOMQB-OALUTQOASA-N 456.572 1.044 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCC(O)CC1 1300631877 XOVVNRWFDSFXFR-FQEVSTJZSA-N 476.622 1.893 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(C)=O)C1 1300643183 QCHGTJHOMWGFDZ-PXNSSMCTSA-N 490.605 1.926 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1300685190 JBMFVDDXWBSVDC-NLFFAJNJSA-N 484.576 1.169 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(C(=O)NC)c2)CC1 1300716759 QMADXMYKMYLQPC-AREMUKBSSA-N 494.596 1.304 30 10 JDEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1301119693 SHDLVGVANLXXJL-JOCHJYFZSA-N 462.572 1.914 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccnc2OCC)CC1 1301125640 PONJWKYASKEPHX-LJQANCHMSA-N 476.603 1.855 30 10 JDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNS(C)(=O)=O 1301297333 PHADKGMCONKVTR-OAHLLOKOSA-N 458.585 1.148 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2cccc(OC)c2)C1 1301534807 FCGLEQBDLSJOMR-HXUWFJFHSA-N 468.558 1.734 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1301537439 ARLGDGUSEHVKDL-JKSBSHDWSA-N 480.562 1.888 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1301567656 KSWLXMIALMHWNI-OAHLLOKOSA-N 455.606 1.847 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCCN(C(=O)C(C)C)CC1 1301588510 GCBWBCJVCAGOAO-SFHVURJKSA-N 453.609 1.468 30 10 JDEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1358921934 NVIQGZBXKCPPGZ-UHFFFAOYSA-N 474.363 1.980 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1358958389 NDIFBEYSWSPYQZ-HXUWFJFHSA-N 455.584 1.842 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCn2nc(C)cc2C)CC1 1359037980 GCXOHRPXJMKSGD-UHFFFAOYSA-N 466.615 1.928 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ncc(CC)s2)CC1 1359041072 MOWBLCUFGBDHFL-OAHLLOKOSA-N 493.659 1.116 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1359055197 WEMMCINZSGEXQI-OAHLLOKOSA-N 451.556 1.225 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1359118513 NOURIDSGTIICHP-AEFFLSMTSA-N 460.560 1.706 30 10 JDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359130630 QJHQBBGVSVQFNS-UHFFFAOYSA-N 453.547 1.204 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1359300143 VFQYBBQTULFVFJ-YESZJQIVSA-N 462.551 1.256 30 10 JDEE CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC1([S@@](C)=O)CCC1 1503438174 CTRPFEDBFSTHMA-UUWRZZSWSA-N 486.598 1.325 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCNC(C)=O)CC1 1507734276 UAHMLCHNICHBNX-UHFFFAOYSA-N 479.585 1.639 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cc(F)cc(OC)c2)CC1 1507738717 WPABMYLZVYYKKX-UHFFFAOYSA-N 451.506 1.840 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2cccc(C)c2)CC1 1507739238 ODZMKWWJFIPZSK-TZIWHRDSSA-N 499.637 1.922 30 10 JDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507756587 WPYNATHEASDKMJ-UHFFFAOYSA-N 460.629 1.871 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507806394 HQAGTHRTCMMEOO-OYSTVDSJSA-N 454.593 1.607 30 10 JDEE C=C(Cl)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1507870388 IDVQTTMXXRJVPZ-UHFFFAOYSA-N 457.926 1.253 30 10 JDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)c1cccc(O)c1)C1CC1 1507992912 KWQMEAOAZIATNV-QGZVFWFLSA-N 459.572 1.861 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1508079989 GYGYYADRWHEOGZ-UHFFFAOYSA-N 454.579 1.100 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(F)cn2)CC1 1508142196 RGFYVVCLDABPTP-GOSISDBHSA-N 464.567 1.981 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1508147534 KVFZYBMUKGJBHY-AOIWGVFYSA-N 464.592 1.330 30 10 JDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1)OC 1518719683 DNJADMUBADIEGR-NRFANRHFSA-N 468.558 1.553 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CC[C@H](C(F)F)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539204125 ZAIXBUSEYLDMSI-DLBZAZTESA-N 473.590 1.558 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1539221014 XXCJEQRIGSMAFU-GOSISDBHSA-N 457.535 1.304 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2c(CC)nn(C)c2OC)CC1 1539461289 DAZGKIKNBSFLQF-UHFFFAOYSA-N 479.585 1.974 30 10 JDEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1539693532 NYYLVDRQHYCAJL-UHFFFAOYSA-N 484.557 1.046 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1540862739 IFQRPSAEQYJOQT-KRWDZBQOSA-N 473.553 1.070 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](NC(=O)OCC)C2)nnc1[C@]1(OC(C)C)CCOC1 1540875897 AXHLXHMEPQBQAG-JTSKRJEESA-N 464.567 1.336 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(CS(C)(=O)=O)c2)C1 1540881988 YTZLFAWCHGIMPB-FQEVSTJZSA-N 473.599 1.888 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2ccccc2)C1 1540905490 SOIVIQFTXKPRML-UXHICEINSA-N 478.640 1.850 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@](C)(O)c1ccc(F)cc1 1541920866 GFQFDCZSBGUIRL-VBKZILBWSA-N 450.540 1.675 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCOCC2)C1 1547786682 FLJHFZGJLHSPMA-HXUWFJFHSA-N 474.587 1.673 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2c(NC(=O)c3ccco3)sc3c2CCC3)CC1 1584999983 IEEBOMOWVSUKHA-UHFFFAOYSA-N 454.552 1.979 30 10 JDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1587847946 WJNCAJIGZDUNHM-KRWDZBQOSA-N 455.563 1.456 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cnn(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1588024808 MHKRNPWPDVUQCM-HXUWFJFHSA-N 487.630 1.350 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(O)CCN(C)C1 1588595702 YUCTYYRVZNEVGB-OAQYLSRUSA-N 478.391 1.869 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2csc(CC)n2)CC1 1588733448 SWYXITLXEDXIAO-UHFFFAOYSA-N 450.572 1.942 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCS2)CC1 1588884992 QJHVBSKLVAEVBG-KRWDZBQOSA-N 453.572 1.787 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2([S@@](C)=O)CC2)CC1 1588892160 YCTXJESKYLGANX-PVAZPRTOSA-N 477.631 1.196 30 10 JDEE C=C(Br)Cn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1589459954 ICDMWKBASRTTDL-ZRGWGRIASA-N 454.369 1.801 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1589546873 RYRGLXCHTZWILE-WCIQWLHISA-N 497.662 1.844 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N(C)C 1595076167 WADBGRAXXVQKJK-GOSISDBHSA-N 461.588 1.860 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1595570114 XWTPTENHVJQFSL-UHFFFAOYSA-N 454.457 1.091 30 10 JDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)COC)CC1 1595649224 NFNRADBBSPUWKN-UHFFFAOYSA-N 451.531 1.587 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c1 1597487539 UWEUKFXOMUJMBW-HXUWFJFHSA-N 452.598 1.950 30 10 JDEE CCCNC(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1614963609 GMDCEMYRKRAHCG-IBGZPJMESA-N 469.594 1.676 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1617385979 HJFIWLOCTVRHOU-CJNGLKHVSA-N 472.493 1.912 30 10 JDEE N#Cc1cc(S(=O)(=O)N2CCc3c(cccc3S(N)(=O)=O)C2)ccc1Br 1663820435 BQPJHFAUPLVGRM-UHFFFAOYSA-N 456.343 1.715 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)cc1 1667957183 WYZMZKGBXCTILQ-UHFFFAOYSA-N 457.556 1.946 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)CC1 1683448413 VPCHFSWWLDKISG-YESZJQIVSA-N 456.609 1.174 30 10 JDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCNS(=O)(=O)c1ccccc1 1689856328 OJIARWVIRPPBBT-SFHVURJKSA-N 463.567 1.953 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N(C)C)c1 1689872422 YIKTXHQOQXKJIB-AEFFLSMTSA-N 458.588 1.187 30 10 JDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1689930006 JDYFYHRPJKOVPB-UHFFFAOYSA-N 472.619 1.384 30 10 JDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCN1CCOCC1 1689966603 WTCGNDKOMIBCAH-LJQANCHMSA-N 462.595 1.768 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCS(=O)(=O)NC(C)C)CC1 1690132877 ZPMCPOWFIBXWFF-UHFFFAOYSA-N 474.631 1.557 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCC)cc2)CC1 1690135244 SPSFJDPGAQZCLE-UHFFFAOYSA-N 464.570 1.927 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(O)CCOCC2)CC1 1690139402 KYNLQBDSVXDYNI-UHFFFAOYSA-N 468.514 1.361 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1690144404 YAXVOKVQPAEFII-SFHVURJKSA-N 487.605 1.452 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCS(C)(=O)=O)CC1 1690152168 ARHZMKOBOVNJNQ-UHFFFAOYSA-N 487.626 1.874 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1690175264 SWJGEOODJTXAOY-QZTJIDSGSA-N 465.645 1.289 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOC)[C@@H](CCC)C1 1690288049 FPCSWKLDMVMREF-RBUKOAKNSA-N 470.640 1.124 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(C)COCCO1 1690573838 GCJQLNVWUFVGMW-BEFAXECRSA-N 455.606 1.948 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CN(C)C1=O 1690603999 MNLPWBFDPQMPQS-CVDCTZTESA-N 457.600 1.894 30 10 JDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1690673908 IQLHYYJRUCPCDG-KDURUIRLSA-N 457.623 1.159 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1690724417 OKLCGKGDUJCGAB-AZUAARDMSA-N 468.620 1.937 30 10 JDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1690742027 DQBVUDHTCHDQHJ-UHFFFAOYSA-N 460.585 1.346 30 10 JDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOCC1 1691015628 DOTZRKRFLKHLOA-ZWKOTPCHSA-N 460.604 1.797 30 10 JDEE CC(C)(C)[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1691325947 HYGDAIQJSZSFHM-SSEXGKCCSA-N 465.601 1.511 30 10 JDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOC1=O 1693549049 BJYHCYCSCPLHCT-INIZCTEOSA-N 453.503 1.238 30 10 JDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@H](C(F)F)N1CCOCC1 1705550814 YBRNFDDLWMJYNE-QGZVFWFLSA-N 481.573 1.664 30 10 JDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1705561950 XGMNAZWEJPENMZ-KRWDZBQOSA-N 450.586 1.480 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCNC(=O)C(C)(C)C 1705585179 NGYNTKOSCNWNID-UHFFFAOYSA-N 475.641 1.878 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN(C)CC(F)(F)F)CC1 1705644325 MUOIWNHYBJSYEU-UHFFFAOYSA-N 492.506 1.385 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCN2CCCO[C@@H](C)C2)CC1 1705650162 MHDQKYYNFQDILY-NRFANRHFSA-N 479.629 1.731 30 10 JDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)NC2CC2)CC1 1705693230 DHVHGGCGZKKDSY-YJBOKZPZSA-N 483.411 1.311 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705899535 WMTUAAJTLPWZAH-GOSISDBHSA-N 455.494 1.153 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705900970 WDLJVEZHYWWDQS-GCJKJVERSA-N 480.617 1.330 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1705906429 DQAVLNAOYGXHAO-NRFANRHFSA-N 465.558 1.332 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1705907132 AXTNDCAWQYKOKN-FQEVSTJZSA-N 466.594 1.567 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)[C@@H]1CC 1705913864 ZSURKIQIRYQJQP-ROUUACIJSA-N 459.572 1.508 30 10 JDEE CCN1CCN(CCCn2c(CCc3ccc(OC)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 1710301481 FHFCYAHVJSIOHN-HSZRJFAPSA-N 467.618 1.828 30 10 JDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1S(=O)(=O)N(C)C 1722341730 BTCKDOSEXBSXDF-UHFFFAOYSA-N 453.528 1.293 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1722358724 FDJALQAGRIOTPK-UXHICEINSA-N 472.571 1.964 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1722361125 LGWNZKXQKWGNAM-HNNXBMFYSA-N 478.376 1.559 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722364706 MGRZMIAIFGBNHA-QGZVFWFLSA-N 495.447 1.769 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(CN(C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1722369260 ZTUQLOVPSYPJIM-FCHUYYIVSA-N 471.627 1.909 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722371473 WSQNOMPUKKZGCS-ICSRJNTNSA-N 491.589 1.344 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1722428062 BIUAYSVZTGDEBF-FCHUYYIVSA-N 487.626 1.167 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(C)n(C)c1=O 1722448214 OLDFBTUCWICFJQ-UHFFFAOYSA-N 473.537 1.333 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722683528 TVQGUDXBLKCJGT-GOSISDBHSA-N 494.643 1.386 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1722693897 DPCTVWXLZRMFGZ-FQEVSTJZSA-N 480.529 1.874 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)OC(C)(C)C1 1722698123 UVDKFONOANLTMV-OAHLLOKOSA-N 451.531 1.498 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1722698546 HMVYPPSYSORKNC-HNNXBMFYSA-N 457.547 1.888 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCCCC2)CC1 1722698998 QGODNRHVEUDXNK-LJQANCHMSA-N 464.636 1.185 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(CC)C[C@H]1COc2ccccc2O1 1722701764 CPWGVFPOPNFRCU-KRWDZBQOSA-N 454.531 1.369 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1722725575 NWCFPZUJFIOYRS-HNNXBMFYSA-N 472.493 1.446 30 10 JDEE Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)c(N2CCOCC2)c1 1724350811 FBCGBLRALNGOLA-ROUUACIJSA-N 475.619 1.678 30 10 JDEE CCc1nn(C)c(OC)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1727484707 CISVNTCGDBNAFZ-INIZCTEOSA-N 478.557 1.748 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO1 1729396229 AOUXPCAWJCRULS-RTBURBONSA-N 460.560 1.298 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1740615807 LMCVVUDGNNKRNO-IIBYNOLFSA-N 458.544 1.121 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740625351 NISKMHALQLRGOC-SIKLNZKXSA-N 489.617 1.603 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1740627364 GTBROEZTIDTOLO-VWPQPMDRSA-N 488.610 1.844 30 10 JDEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740715678 LUBLQYTWDNRNRL-NQIIRXRSSA-N 468.631 1.480 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740720307 UJIIXIBQMZMUMQ-SFHVURJKSA-N 465.649 1.272 30 10 JDEE C=C(Br)Cn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@@]1(OCC)CCOC1 1740748503 GRFGJNDJLFQGKR-LJQANCHMSA-N 465.352 1.495 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740758794 BYZFGELKRMUXDN-GHTZIAJQSA-N 460.604 1.717 30 10 JDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740857066 BNGHCVPCUPLGOJ-UHFFFAOYSA-N 457.579 1.141 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1740876351 QUDTYGFURBWBSW-MJGOQNOKSA-N 463.608 1.695 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCC1CCOCC1 1740956787 QDJJBHOWQVGABG-UHFFFAOYSA-N 451.535 1.476 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1740957799 AWLVXJPCUQNVNF-LJQANCHMSA-N 454.531 1.490 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1740994151 JLBMMUVBDNVLSD-NQIIRXRSSA-N 464.592 1.125 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CCC[C@@H]1CO 1748679295 ASKRDORUDSJDAB-DENIHFKCSA-N 450.587 1.863 30 10 JDEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1748712447 HPEQGHRSJCKDKM-LJQANCHMSA-N 463.542 1.430 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1748717855 KJANTGGGQUTCJZ-IBGZPJMESA-N 496.634 1.329 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748802914 TXUXSQKIABRUEE-LJQANCHMSA-N 463.604 1.348 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1748815596 RVOMAZIQKOKWRM-QZTJIDSGSA-N 481.619 1.666 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1748816993 BXHSCSCEDYFCBS-IAGOWNOFSA-N 456.634 1.318 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1748819151 LOIRCFPVZLZDNK-VCOUNFBDSA-N 457.600 1.952 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccnc(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1748821765 VCRSLQCKKRVRFS-MRXNPFEDSA-N 494.524 1.072 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(CN2CCOCC2)c1 1748824840 JWTPTXCUPHFZPW-UHFFFAOYSA-N 469.549 1.879 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOc2ccccc21 1748859441 SZZWNEBSDFNZJX-GHTZIAJQSA-N 469.567 1.250 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-n2cccn2)cc1 1748929768 PNKUTIWNHKWBTL-FQEVSTJZSA-N 469.571 1.305 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)COCCO1 1748965013 OQJAKAYFLAHSEC-WZONZLPQSA-N 479.578 1.478 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC2(O)CCOCC2)CC1 1748979569 FNIMHFOPFVOXPU-UHFFFAOYSA-N 455.559 1.649 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1C[C@H](C)O[C@@H](C)C1 1749067960 ZDGPOICQQLBNRG-YZVAWVHESA-N 465.620 1.807 30 10 JDEE C=CC1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCCS(C)(=O)=O)CC1 1749342654 KYCKFIUYPGIQEX-UHFFFAOYSA-N 489.646 1.916 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2c(C)noc2C)CC1 1749342908 RUXGZQZJACUNTR-LJQANCHMSA-N 464.592 1.861 30 10 JDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(S(C)(=O)=O)CC1 1749467449 PNWUZWQQCPAAIJ-UHFFFAOYSA-N 452.606 1.746 30 10 JDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1749606483 ZOBWFVZXENQWSA-KRWDZBQOSA-N 476.603 1.364 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1749729561 NJGSDOZZECHZBF-FQEVSTJZSA-N 472.571 1.866 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC[C@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760181672 ZMNPSCAHRNBZMJ-IMSXRSKXSA-N 493.674 1.821 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CC1(O)CCN(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1760182141 GYPXIVGJUDEAAQ-SFHVURJKSA-N 451.637 1.438 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760189939 SCPSZJYYFVTHHR-SFHVURJKSA-N 458.588 1.739 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1760191926 BPXQXPLNWMVSHH-IBGZPJMESA-N 486.573 1.989 30 10 JDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C(C)C)N1CCOCC1 1760207007 ULPGTEIFKPPBFU-IBGZPJMESA-N 454.600 1.699 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC3(CCCCC3)O2)CC1 1760253368 DRULRPBZYKTNEV-OALUTQOASA-N 464.636 1.525 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C#N)o2)CC1 1760266528 CEMQYAABTYRLQW-UHFFFAOYSA-N 492.561 1.827 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nncn1-c1ccccc1 1760290107 WQKYSMVPQGFZLL-HRAATJIYSA-N 454.560 1.509 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1760315658 HPTNOXBXIFNSMR-QSNWEANLSA-N 483.635 1.644 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1760521439 SKKDVIWDUJIWKJ-MSOLQXFVSA-N 454.531 1.890 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760532002 IHBOTNBLQWBBSI-UHFFFAOYSA-N 490.630 1.890 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCSCC(F)(F)F)C1 1760543714 SDCDPWVOHDNBCI-GJZGRUSLSA-N 499.581 1.688 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccccc2)CC1 1760557727 UTCNOTBDIMUHQR-UHFFFAOYSA-N 497.625 1.703 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)CCO1 1760673532 HJQQJOSPYXFAIC-NFBKMPQASA-N 454.531 1.231 30 10 JDEE C[C@@H]1C[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3ccc(C#N)cn3)CC2)CCO1 1762745432 HBMXNSIFKODYQQ-KURKYZTESA-N 488.618 1.297 30 10 JDEE CCCN(CC)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1764310408 FACKFNGMZYVDAU-GHTZIAJQSA-N 467.640 1.473 30 10 JDEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCN(CC)S(C)(=O)=O)CCOC1 1765888567 CWCVYLBHKKQLIC-SFTDATJTSA-N 468.624 1.732 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1772660354 HLWOHRLSKXTIJS-DLBZAZTESA-N 475.571 1.278 30 10 JDEE C#C[C@]1(O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C 1857524252 CQOHDQNOAACQBL-IEOCUZALSA-N 474.550 1.409 30 10 JDEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCNC(C)=O)cc1 1862632029 WKZCPHDWQXBKCL-FQEVSTJZSA-N 466.446 1.916 30 10 JDEE C=CCn1c(C(=O)N2CCN(c3ccccn3)CC2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873561149 HFWRVMNMZVUOHF-UHFFFAOYSA-N 474.569 1.643 30 10 JDEE COc1cccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1OC 1874274007 NZPQMYAHTZSELE-WUJFOHIQSA-N 460.560 1.869 30 10 JDEE COc1cc(OC)c(OC)cc1/C=N/n1c(SCC(N)=O)nnc1[C@H]1CC(=O)N(C(C)C)C1 1874336594 BXFUXEIQDMEXCI-BEZFBIGFSA-N 476.559 1.488 30 10 JDEE O=C(NCC#CCN1CCc2ccccc2C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1890643009 HMETZCYLQWJEOI-UHFFFAOYSA-N 453.564 1.499 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 2267718074 NQTNERLYQHYWPH-HDJSIYSDSA-N 470.401 1.301 30 10 JDEE C[C@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268649818 LCPAYWLTRRFWEN-KCQAQPDRSA-N 467.397 1.990 30 10 JDEE Cc1c(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281799751 ZLFYNYOJNRLPDM-OLZOCXBDSA-N 458.290 1.699 30 10 JDEE CN(CCc1nc(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2281926139 KORYEFJAQAQKAB-UHFFFAOYSA-N 461.332 1.489 30 10 JDEE C[C@H]1CC[C@@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2282497136 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1.644 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)s3)O[C@H]2C1 2284061775 GUXVJWLGAOLOME-MELADBBJSA-N 481.380 1.784 30 10 JDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@H]21 2284119612 OCQDQBHNAKCRFV-BFHYXJOUSA-N 480.396 1.612 30 10 JDEE CO[C@@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2339945933 ZLXHGJWWILFWAL-ZDUSSCGKSA-N 491.441 1.401 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2359273587 JCNYGVNITCFMJW-QLFBSQMISA-N 482.412 1.253 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)CC1 492375444 LZIZTEMWHCFINA-KDURUIRLSA-N 462.616 1.413 30 10 JDEE C=CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 590897361 OHXKJLITCMDUHZ-UHFFFAOYSA-N 453.520 1.001 30 10 JDEE C#CCN(C(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 729332445 YVRBKGWMKRJLNN-XLIONFOSSA-N 460.577 1.989 30 10 JDEE COc1ccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3cnn4ccccc34)c2=O)cc1F 729672270 GJQJZZRYUWFIGC-UHFFFAOYSA-N 491.548 1.970 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCc3ccccc3CN3CCOCC3)cc2C1=O 754574481 SRMCMMLNLOGMEG-UHFFFAOYSA-N 477.517 1.774 30 10 JDEE C=CCN(C(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)[C@H]1CCS(=O)(=O)C1 1125953393 FHUDBDDBQHFDOP-HOTGVXAUSA-N 453.565 1.665 30 10 JDEE C#CCN1CCC[C@@H](NC(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)C1 1154958595 HDAKGMDTBBYFKS-LJQANCHMSA-N 455.536 1.721 30 10 JDEE C#CC[C@]1(C(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)CCCN1C(=O)OC(C)(C)C 1179383875 UOWDZLWGNKWFKY-HSZRJFAPSA-N 455.563 1.773 30 10 JDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 1209136582 HFKMESYCONEYNU-UHFFFAOYSA-N 450.565 1.309 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(OC)CCOC1 1286421528 FKBFKSIAKQSSPV-QHCPKHFHSA-N 470.599 1.815 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(F)cc1 1286432141 YTKNNWUGTAYEJF-WIYYLYMNSA-N 489.573 1.681 30 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C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@H](c2noc(C)n2)C1 1286815961 CZRSSECAJSDOBH-KRWDZBQOSA-N 462.507 1.954 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1286816066 HXSVMCJYVHGPFJ-SFHVURJKSA-N 451.980 1.720 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC2(CCN(C)C2=O)CC1 1286820149 FWOAHRQQCVAUHN-KRWDZBQOSA-N 451.593 1.569 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1286846824 FDAOBWDICZDYMS-UXHICEINSA-N 485.614 1.403 30 10 JDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCCC2=O)cc1 1300295581 DNBYZDZIWYXRMH-FQEVSTJZSA-N 454.531 1.997 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-n1ccnc1 1300308553 CMQJPHUPGMBVNV-YLJYHZDGSA-N 469.571 1.303 30 10 JDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCCN1C(=O)NC2(CCCC2)C1=O 1300321965 OURCZUAQYVFTMO-KRWDZBQOSA-N 452.563 1.852 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1300408628 BSRIWXOOHYKSDM-OAQYLSRUSA-N 483.598 1.223 30 10 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CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCOCC1 1314224365 BDYJNMGTLKKMNB-LJQANCHMSA-N 456.547 1.707 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1358912865 ZUIOUARGEYAFJN-GBESFXJTSA-N 465.620 1.351 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 1358962451 QCECTZQHSLCEDG-FUHWJXTLSA-N 461.544 1.056 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccc2ccccc21 1358979537 PVLQYKMMVFSLBL-QFIPXVFZSA-N 480.594 1.729 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1359031891 SQWJJUXAYNYEJN-FYYLOGMGSA-N 498.653 1.932 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359118478 LKCJCQKILRHJOD-UHFFFAOYSA-N 496.659 1.632 30 10 JDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359135136 SWZAPEVHGIPDBJ-FQEVSTJZSA-N 453.547 1.623 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1359296200 AFXCJQKTSZKBDT-GOSISDBHSA-N 470.574 1.423 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1359299310 BNDUGCLSFWGMLO-QAPCUYQASA-N 462.576 1.667 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC(C)(C)CN1CCOCC1 1359300879 LXCIIKPFDXGVPM-NRFANRHFSA-N 484.601 1.887 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1(c2ccccc2)CC1 1359332694 DSIZEFIDZOKVIL-SFHVURJKSA-N 478.640 1.949 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3ncc(Br)n3C2)ccc1F 1457112244 FAIQERPDYLWIAK-GFCCVEGCSA-N 457.325 1.994 30 10 JDEE C=CCCn1cc(CNS(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)nn1 1464233749 SVXJUNCEFAUQEX-UHFFFAOYSA-N 453.468 1.173 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)CC1 1476249342 YNLXPOJACOHGCS-UHFFFAOYSA-N 457.512 1.195 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC(=O)N(C)CC)c1 1507548793 CWYUBFKGCDYXBI-VWLOTQADSA-N 482.585 1.853 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC(=O)NCC(F)F)c1 1507552883 VDRMFYVQYOFPCD-UHFFFAOYSA-N 467.480 1.701 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507622626 JXWSDZKQZLRCSB-VQTJNVASSA-N 490.674 1.651 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1507666817 GLVGWADMRVVPPS-INIZCTEOSA-N 450.524 1.492 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1507718338 PABFYACTKFCXFI-FQEVSTJZSA-N 482.585 1.641 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccnc2OC)CC1 1507734090 QQVHFFSTKQFHHT-UHFFFAOYSA-N 474.525 1.343 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCC(=O)NC(C)C)CC1 1507740000 HYKCMOIYOYDVMW-UHFFFAOYSA-N 470.549 1.877 30 10 JDEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1507752254 VBJHCSFKHZOBAY-UHFFFAOYSA-N 465.583 1.881 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN(C)S(=O)(=O)CC 1507762321 XZOIODKDJXCOCY-FGZHOGPDSA-N 467.636 1.982 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1507791232 JKTRGVOHYAHIOK-KURKYZTESA-N 451.593 1.509 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nnc2n1CCCCC2 1507811533 BAKNMHCXONCZMY-MRXNPFEDSA-N 450.613 1.851 30 10 JDEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(NC(=O)COC)CC1 1507832129 OTXQNLSQQDAEEU-UHFFFAOYSA-N 454.579 1.760 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OCC)CC1 1507935875 VNTJYMKEBNJNQM-KRWDZBQOSA-N 470.596 1.246 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1507944986 YQHVNUCYWGWSKE-HUUCEWRRSA-N 453.569 1.939 30 10 JDEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS(=O)(=O)CC1 1507967022 FWAPIUAZWITCJX-UHFFFAOYSA-N 461.592 1.280 30 10 JDEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1507978793 SVNCVPBVWLCUAS-QFIPXVFZSA-N 472.571 1.408 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1508145765 PFTCDUPYUUIOTG-LJQANCHMSA-N 480.679 1.600 30 10 JDEE CCc1ccc([C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)N(C)C)cc1 1513624559 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C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1540904825 QNQVDIRRBAOZJR-VGOFRKELSA-N 464.563 1.993 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCSCCCO)[C@@H](C)C1 1540997293 CQUCETOQAZQAJQ-KRWDZBQOSA-N 458.588 1.901 30 10 JDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1587847798 SEVANUYJALXCKG-INIZCTEOSA-N 450.524 1.634 30 10 JDEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1588049791 LGIHSUJLLZPMSR-QGZVFWFLSA-N 482.610 1.836 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCn2ccnc2C)CC1 1588891311 NOPUEDUNASPMGE-HSZRJFAPSA-N 455.563 1.101 30 10 JDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCS(=O)(=O)C1 1594867629 OBFNBUKJIMEMCC-OAHLLOKOSA-N 452.606 1.604 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@H](OC)C1 1595537215 NVBZMYSMBPYMMK-KRWDZBQOSA-N 465.558 1.982 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 1595550559 FWQWEEBLFKSQRU-AZUAARDMSA-N 491.589 1.807 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(CCC)C(=O)C1 1595561985 JZFAHQLXQOLKRG-UHFFFAOYSA-N 450.547 1.268 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1595824138 WVACJLRYPCJXKL-SFHVURJKSA-N 461.588 1.742 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(O)CCSC1 1611664336 CALPPZOHTUPQED-AUUYWEPGSA-N 450.590 1.264 30 10 JDEE CC[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1613700812 CWLNVRDFAMPCFU-YADHBBJMSA-N 459.572 1.905 30 10 JDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)c(OCCOC)c(Cl)c1 1660902113 GCLOSXAYCQIWEC-GFCCVEGCSA-N 456.369 1.830 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cnn(C)c2)c1 1689871672 BHDAJVAEQGJZQV-GOSISDBHSA-N 467.555 1.018 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1689913821 VWTIYBQYNQFEET-IAGOWNOFSA-N 452.625 1.679 30 10 JDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)(=O)CC1 1689932363 YXWPOBBQCNSBOC-MRXNPFEDSA-N 453.565 1.235 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1689978069 LAHYQNOOUAWANP-OAHLLOKOSA-N 450.952 1.140 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(OC)CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1689987796 CIYKYUYMDBYCCQ-YHHIVYBXSA-N 463.604 1.451 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689995990 BSZXHZPIGGUBCC-HXUWFJFHSA-N 488.610 1.642 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1690100032 VCMMIAWULFBRBX-YSIASYRMSA-N 485.589 1.789 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCC(=O)N(C)C)CC1 1690142315 LLCFWEHECXNOQZ-UHFFFAOYSA-N 461.570 1.881 30 10 JDEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690419321 NNXKQXOTTVIHFD-UHFFFAOYSA-N 461.592 1.999 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690572125 UCHAOKMMMOWBCF-UWJYYQICSA-N 498.602 1.062 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1cccs1 1690596857 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QZZJXRZWSDVNJX-MRXNPFEDSA-N 469.571 1.411 30 10 JDEE C[C@H](N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1)C(F)(F)F 1706841555 BTDSZNDPAYUXLG-AWEZNQCLSA-N 471.509 1.439 30 10 JDEE CN(C)S(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1711019384 AMNRHSWJYFDTDE-HXUWFJFHSA-N 456.572 1.839 30 10 JDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1711406342 DPSWXLFUOWTNMF-FQEVSTJZSA-N 467.574 1.413 30 10 JDEE COCCN(C)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1 1712425649 HBLMMNYSLRBPSD-UHFFFAOYSA-N 466.590 1.177 30 10 JDEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cn1 1712465119 HIVVVWFANMVUFO-DLBZAZTESA-N 471.587 1.966 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2cccn(CC)c2=O)c1 1722308666 CTYHKEYKSVCEDU-HXUWFJFHSA-N 473.537 1.515 30 10 JDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1722329226 CLJPTMTZIRKCIM-LJQANCHMSA-N 460.604 1.939 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOc1ncccc1Cl)[C@@H]1CCS(=O)(=O)C1 1722362092 RZJYGYUFLAOUHW-MRXNPFEDSA-N 475.962 1.433 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1722364058 DOCPATBZLUDGGD-MRXNPFEDSA-N 479.553 1.690 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1722370623 DBUYSLOEEAOPCE-HRAATJIYSA-N 477.612 1.057 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1722380141 FQKVJPZUNARPRH-RUZDIDTESA-N 457.538 1.616 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(Cl)c1 1722413911 SKHNRJCHBQSNHV-GOSISDBHSA-N 467.979 1.803 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1722443067 BJMOMZAISZXMOM-IBGZPJMESA-N 494.596 1.414 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ccn(C)n2)CC1 1722443215 FAEQPKMIFVDRKY-UHFFFAOYSA-N 493.568 1.719 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC#C)CC1 1722461240 MUKCNLQNQGEOIZ-LJQANCHMSA-N 474.631 1.708 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1722695237 XNWMGTVVYJYBIA-FUHWJXTLSA-N 457.487 1.769 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(O)c2)C1 1722711873 XTQUHZAKOQRUNK-GOEBONIOSA-N 451.549 1.432 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1N1CCOCC1 1722867502 GVSYLFOWQIKIJW-DLBZAZTESA-N 476.578 1.800 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1729740926 DJVAPHSGDSKGIM-UHFFFAOYSA-N 482.570 1.096 30 10 JDEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1)OC 1730471725 CRLJWBYWRVJXLY-HXUWFJFHSA-N 457.531 1.776 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@H]2CCS(=O)(=O)C2)c1 1740565320 RJPUPFVDBHLENE-IEBWSBKVSA-N 457.556 1.621 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(NC(C)=O)nc1 1740630303 HOXGQWJYQYNEKN-UHFFFAOYSA-N 491.577 1.670 30 10 JDEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CCN1CCN(C(C)=O)CC1 1740641865 OHHFOGZCHDEEAY-UHFFFAOYSA-N 499.413 1.857 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(F)cc1)N(C)C 1740686272 QHUQBADERPQAFC-UYAOXDASSA-N 463.579 1.708 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCSC2)CC1 1740700313 OBIQQOAADQGKDK-FDDCHVKYSA-N 476.647 1.973 30 10 JDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCOC)CC1 1740737695 VKHPJHVNFXEYGD-UHFFFAOYSA-N 469.384 1.402 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCN(C(=O)OC)CC2)CC1 1740825277 LIMDIASMNUALKT-SFHVURJKSA-N 482.607 1.246 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCN(C)C1 1740942634 XOCDICVNKJJKMQ-IXFSTUDKSA-N 464.611 1.754 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1740950625 BGPWKYNKNCTWKK-DLBZAZTESA-N 476.603 1.707 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](OCC)C1 1740960681 XQJANKJQMIAIEU-QZTJIDSGSA-N 478.594 1.894 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1740966371 SFELVEKMIFFAHR-IPJJNNNSSA-N 497.600 1.863 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OC2CCCC2)CC1 1740990999 LUKPDHMDJVOURG-SFHVURJKSA-N 451.593 1.758 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CC3(O)CCN(C(C)C)CC3)CC2)c1C#N 1742668460 BFBSTOLISCNLCH-UHFFFAOYSA-N 483.665 1.952 30 10 JDEE C#CCCCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1748730096 IAFILVAHAMRGFE-CVEARBPZSA-N 469.518 1.935 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCSC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748815612 RZYDGICSRAPFJT-NWDGAFQWSA-N 451.496 1.109 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C(=O)N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 1748818187 XAYLICIVSPGUBY-YADHBBJMSA-N 499.637 1.939 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCOCC1 1748858462 BDAJPCCTWNHHJP-BGYRXZFFSA-N 456.591 1.844 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1748977776 CPVQVDFTTUNDDN-SANMLTNESA-N 496.612 1.201 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2c[nH]c3cccc(C)c23)CC1 1748978914 SWQZROQAWVBBBS-SFHVURJKSA-N 469.615 1.676 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1749630606 SJMPUZPIDKSUOX-SFHVURJKSA-N 495.005 1.413 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)[C@@H](C)C1 1749733749 BIRPOSQECMYEPH-GHTZIAJQSA-N 491.614 1.548 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749740138 QTTKOJZCOVBEOL-MRXNPFEDSA-N 472.564 1.220 30 10 JDEE N#C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CC(=O)NCC2CC2)CCO1 1750387943 FSEGLKJFPRZGBU-QGZVFWFLSA-N 475.347 1.875 30 10 JDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C[C@@H](C(F)(F)F)O1 1752317839 CBARCAHZKOQMMN-PBHICJAKSA-N 464.448 1.832 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCN(c2ccncc2)CC1 1760118178 ZJDNORMDKQLEHV-UXHICEINSA-N 471.631 1.245 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1csc(C)c1)[C@@H]1CCS(=O)(=O)C1 1760180403 DOXGFIMDBPEQNX-NQIIRXRSSA-N 464.613 1.975 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1760184895 YVRZVPCXVOJXEX-XXBNENTESA-N 455.584 1.613 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1760190824 UXPPLUZWCGHUAN-LEWJYISDSA-N 489.617 1.482 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCCCO)CC1 1760267451 MRPPSPYDWPSASC-UHFFFAOYSA-N 463.546 1.049 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CCC 1760294929 JVYDJONLIGEQNK-MIZPHKNDSA-N 478.663 1.868 30 10 JDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1760355211 BNBGDLUUCICGTI-UHFFFAOYSA-N 487.586 1.705 30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCn2cc(CO)nn2)CC1 1760383972 FXLBUFPAPLHQQJ-UHFFFAOYSA-N 457.560 1.679 30 10 JDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N1CCOCC1 1760464769 OOFIUKPMBBIXQQ-INIZCTEOSA-N 450.540 1.068 30 10 JDEE C=CCNC(=O)Cn1c(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1760528498 FBQVMTCXKWJNRV-GMWOSMDTSA-N 476.578 1.336 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760553641 XJIRQMCTNCHMAN-NRFANRHFSA-N 475.596 1.433 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1760558430 OOXLWZFZZOKUDY-INIZCTEOSA-N 465.507 1.238 30 10 JDEE CCC(O)(CC)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1762402021 HAHWJKFFSPPTNF-KRWDZBQOSA-N 475.619 1.638 30 10 JDEE CCc1nn(C)c(OC)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1762820080 FATWYWZRMZPVFE-UHFFFAOYSA-N 464.530 1.360 30 10 JDEE Cn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)C(C)(C)C)c2ccccc2c1=O 1769076918 DGHMKYHQYWYOFR-QFIPXVFZSA-N 487.561 1.847 30 10 JDEE COc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCCN2S(C)(=O)=O)cc1 1770273076 GVZAIAGWLPBKIL-DLBZAZTESA-N 462.576 1.886 30 10 JDEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCOC4)n3CC(=O)NCC(F)(F)F)CC2)c(F)c1 1770738055 CXPSIPSINOLXOW-HNNXBMFYSA-N 481.454 1.798 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCC(F)(F)CC3)n2CC2(O)CCS(=O)(=O)CC2)c1 1771531250 HNDWRMMMPWBDOD-UHFFFAOYSA-N 451.499 1.992 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 1858334323 FMZZGIISFBIPOP-KRWDZBQOSA-N 474.564 1.427 30 10 JDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccc2C(=O)OC)cn1CCOCCO 1870740653 LUPDBHNWWRKJKQ-UHFFFAOYSA-N 499.564 1.835 30 10 JDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)O)C1 2255171624 MYOXOYBBJTYZBI-HVPFBLEYSA-N 451.520 1.826 30 10 JDEE C[C@@H](CCNC(=O)OC(C)(C)C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255749801 AYQLKDQHVATEQN-ZDUSSCGKSA-N 458.390 1.301 30 10 JDEE COCC1(NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255843760 LNSKXRIVKQUVOR-UHFFFAOYSA-N 453.370 1.808 30 10 JDEE CC(C)(C)OC(=O)NC1CC([C@@H](F)C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256673820 GDHXJHDIIWJGQP-HTAVTVPLSA-N 456.349 1.839 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Oc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2265990651 NWNAQBRBFXTNFU-KBPBESRZSA-N 472.344 1.589 30 10 JDEE Cn1cc(C(=O)N2CCOC[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267177801 TTWJGKUVLHJDSB-AWEZNQCLSA-N 450.345 1.085 30 10 JDEE Cn1nc(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267186933 QUUQQXFZGQDCAR-DABQJJPHSA-N 466.775 1.968 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267535841 CFJSKYVOYQNVGX-GJZGRUSLSA-N 450.320 1.853 30 10 JDEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2267564784 VRJAEDANJGHXMY-UHFFFAOYSA-N 485.799 1.905 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)n1 2281956008 SBMNIRCAUBFQOC-UHFFFAOYSA-N 461.372 1.587 30 10 JDEE Cn1cc(C(=O)NC[C@]2(O)CCCN(Cc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282047216 VXJPSMWQUTUJOF-XMMPIXPASA-N 454.380 1.476 30 10 JDEE CC(C)(C)OC(=O)NCCc1nc(=NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)s[nH]1 2282183139 CEWQTSVZNRKTFV-UHFFFAOYSA-N 475.380 1.974 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2282323875 HZJGRAVOYVRULJ-ZIAGYGMSSA-N 485.416 1.086 30 10 JDEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282329731 QNQRWCJEWHDARW-CABCVRRESA-N 484.428 1.738 30 10 JDEE COc1cc(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2282565876 QCVKSIGUSDYSEH-MRXNPFEDSA-N 464.368 1.952 30 10 JDEE Cc1nc(NC(=O)[C@@H]2C[C@@H](O)CCN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2283974640 VPKFWPMFKOVVAR-HOCLYGCPSA-N 462.356 1.783 30 10 JDEE C[C@H](CCNC(=O)OC(C)(C)C)CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2284040275 MVEFLUIQTPRIGF-OAHLLOKOSA-N 486.444 1.939 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2284055708 XWLXGYYYMQFATO-QGZVFWFLSA-N 464.343 1.922 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2285210304 GXRVHLUQKLXJGV-HSZRJFAPSA-N 461.368 1.791 30 10 JDEE CN(C)S(=O)(=O)c1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccco2)cc1 2297740008 HUGKZQXSSFTTCT-FQEVSTJZSA-N 489.550 1.284 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)CO[C@H]1C2 2334388580 BBBVTOIKTPWKDQ-XAAFQQQXSA-N 466.369 1.270 30 10 JDEE CO[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2365422163 QULQBIJREXNXPB-OAHLLOKOSA-N 488.387 1.943 30 10 JDEE Cc1cc(C)nc(N/C(=N\C(=S)NC[C@H]2CCCO2)N2CCN(c3ncccn3)CC2)n1 14160534 ZIUOEGAVTNFMMD-QGZVFWFLSA-N 455.592 1.527 30 10 JDEE C/C(=N\Nc1nc(SCC(=O)Nc2nnc(SCC(N)=O)s2)n[nH]1)c1ccncc1 20835734 ORQGYQNGYLKYEV-DNTJNYDQSA-N 464.562 1.196 30 10 JDEE C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)cc1 96394917 NSRCJFNWANTDOS-OAHLLOKOSA-N 470.515 1.578 30 10 JDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CC(=O)OCCOCCOCC)cc21 586352355 RIASFFXZIBAARO-FTDQSSOUSA-N 467.540 1.514 30 10 JDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCCc3ncn(C)n3)C(=O)[C@]12C 1075946586 WSWZOPOTWHCFLM-UUFSLDAJSA-N 452.467 1.529 30 10 JDEE C=CCN(C(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)[C@@H](Cc1ccccc1)C(=O)OCC 1128003414 OCLKTRNPWIPPCR-LDNJSWSKSA-N 454.523 1.728 30 10 JDEE C#CC1(O)CCN(C(=O)c2ccc(NC(=O)C[C@@H]3SC(N4CCCC4)=NC3=O)cc2)CC1 1148406136 LLDJUPVDFAESAK-SFHVURJKSA-N 454.552 1.709 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1286386244 XDFNFKPOGBKPPL-SQGPQFPESA-N 456.634 1.915 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)c2cccc(C)c2)CC1 1286493159 LTKHECCAPGXXQT-QFIPXVFZSA-N 478.597 1.876 30 10 JDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1286508304 QCJNCQAKIAPGPB-SFHVURJKSA-N 458.613 1.896 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1286599722 CFRJZOVPABSHNX-QAPCUYQASA-N 466.612 1.531 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(C)=O)C1 1286671969 CUQCJGIIBHQVAN-QZTJIDSGSA-N 468.624 1.318 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1286780396 FDWWOMHTURZLQR-LJQANCHMSA-N 472.509 1.677 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1286814061 JBERUNKWKQWYKF-ZFWWWQNUSA-N 481.541 1.953 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(C)c2C)CC1 1286819602 PLTHMBBPXJHCCA-IBGZPJMESA-N 472.615 1.773 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(Cc2csc(C)n2)CC1 1286823649 XCTBYHITMHZONA-UHFFFAOYSA-N 450.634 1.919 30 10 JDEE C=CCN1CC[C@H](N(C)C(=O)c2cc(I)ccc2-n2cnnn2)C1=O 1297063023 UHOIPVUGYHYHHQ-AWEZNQCLSA-N 452.256 1.126 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC(=O)N2CCOCC2)c1 1300334780 TWMMWFPXOXEMDL-UHFFFAOYSA-N 473.537 1.179 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1CCCNC(=O)c1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1300492856 PIAHBMUOUUAVHM-IBGZPJMESA-N 471.583 1.698 30 10 JDEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1300506627 WRMPHIJVKKDTMR-FGTMMUONSA-N 481.619 1.712 30 10 JDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1CCC(OC)CC1 1300528144 QUEJMTLUBQGQRF-UHFFFAOYSA-N 452.559 1.968 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1300578829 PRCQEDQHZVFCNZ-HFMPRLQTSA-N 490.674 1.584 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2ncccc2F)CC1 1300711583 CZRQROWENNZBKQ-UHFFFAOYSA-N 492.515 1.504 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccccc2C)CC1 1300724686 BVCGRONVRDHGNP-FQEVSTJZSA-N 485.610 1.533 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCn2cc([C@@H]3CCOC3)cn2)CC1 1300730638 DJODCESMNPXXAK-LJQANCHMSA-N 455.563 1.181 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 1301425907 ZTEOEWLSDUNXNA-HOTGVXAUSA-N 465.542 1.703 30 10 JDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1301429172 FMWXLRFZWBUPET-KRWDZBQOSA-N 471.949 1.814 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1301484877 OOPVFIKRBFMFFQ-ZBFHGGJFSA-N 459.348 1.725 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C(C)C)N1CCCC1 1358890473 PXYTZNBSYUWIHI-GBESFXJTSA-N 452.625 1.189 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1358965569 XIFXDUQLXYVYSL-SFHVURJKSA-N 486.623 1.907 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358966401 OMUGOTMHXIEFJN-NHCUHLMSSA-N 490.674 1.539 30 10 JDEE C=C(Br)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C(=O)NC)C1 1359077484 CZOIGCIXCKGSHF-ZDUSSCGKSA-N 488.184 1.906 30 10 JDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1359226815 NEYSTNXFMPCSLL-RTBURBONSA-N 469.608 1.006 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1359306300 BEDQNYIGLSEPEP-XZOYJPPVSA-N 455.559 1.711 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1359329735 SFDKRYQMNIJLKY-UHFFFAOYSA-N 472.615 1.290 30 10 JDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(N2CCOCC2)CC1 1359479113 FCWYJHFBPGAACM-ZWKOTPCHSA-N 472.615 1.939 30 10 JDEE N#CCCn1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)n1 1360627289 FFDSRDKENKHXCG-UHFFFAOYSA-N 459.528 1.997 30 10 JDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1C 1492273543 GAGJWUDURYCOCR-HKUYNNGSSA-N 487.586 1.158 30 10 JDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1502443901 BDTVYEZJGPJKBJ-FQEVSTJZSA-N 479.633 1.694 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCC(CO)CC3)n2CCS(=O)(=O)N2CCSCC2)c1 1505313799 HLWNPWMKLJTACQ-UHFFFAOYSA-N 476.628 1.404 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCC(C)CC1 1507539969 YCTDIOAHXVOYHV-IOBOIYPZSA-N 453.609 1.664 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507623145 SBHGKLKBOGSJRY-XYJFISCASA-N 451.593 1.247 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1507639564 ZROYLMJNENZXQR-CMXRIWHBSA-N 468.620 1.426 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507691187 ZWNVXLRNVSMAOV-JTSKRJEESA-N 481.619 1.402 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(O)CCOC2)CC1 1507735150 MBEHDSJVCZQLSA-XMMPIXPASA-N 469.542 1.080 30 10 JDEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](COC)C1 1507751025 BPTFUCGDNUQETB-KRWDZBQOSA-N 468.583 1.893 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CN2CCOCC2)C1 1507790770 DAJGLGVHFXSJCQ-NJDAHSKKSA-N 460.623 1.946 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507800736 OYWWVZCTOKCQIO-UGKGYDQZSA-N 453.591 1.840 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C 1508014151 SQIDVVXHDCWXIS-PCCBWWKXSA-N 485.633 1.018 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1508072724 GDNJJHZCEHOODM-SFHVURJKSA-N 492.588 1.354 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1508075241 PTHBRGPQNIUSRA-RHSMWYFYSA-N 482.994 1.422 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OC(C)(C)C)CC1 1508129054 ADKYGNJKUCMWEW-HNNXBMFYSA-N 477.653 1.273 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(N2CCCC2=O)CC1 1508142272 RTPKBUPQFGHMRT-KRWDZBQOSA-N 451.593 1.364 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1508142653 UPQPQTYPKQZOKW-MSOLQXFVSA-N 453.609 1.863 30 10 JDEE CC(C)C(=O)NCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1508821217 HVEOUSFWXZCQAR-QGZVFWFLSA-N 478.557 1.737 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1539201629 BBRBXJRSTFYORH-FQEVSTJZSA-N 499.641 1.674 30 10 JDEE C#CCN(c1nnc(-c2cccc3cccnc23)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1539211228 JJJBNFLJXIDQDJ-NTKDMRAZSA-N 483.594 1.908 30 10 JDEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1539231813 WYNDGOXWDIEPLN-OALUTQOASA-N 476.624 1.921 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1539246161 PKPZZWAXGAQLFN-XMMPIXPASA-N 480.594 1.279 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCC1 1539391256 CCEKGJZSSFZGPV-SFHVURJKSA-N 494.614 1.926 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1540004547 AWGMTYWCMNUHEF-RBUKOAKNSA-N 482.651 1.566 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1540036745 TVHHKGJILNRHNW-GOSISDBHSA-N 466.608 1.111 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1540861752 FGWXFMJLLIPXIR-UHFFFAOYSA-N 495.613 1.569 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1540875072 ARCGKLLFBWQPJX-HXOBKFHXSA-N 457.531 1.552 30 10 JDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N(C)C)CC1 1540881269 DGSPPVGMPDJCBS-UHFFFAOYSA-N 481.601 1.224 30 10 JDEE COc1cccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2CC(=O)NCC(F)F)c1 1555009660 FMHBTBMIAJEDPF-HNNXBMFYSA-N 497.510 1.712 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OCC(F)F 1587638129 BWGVISGMOLOQAG-HOCLYGCPSA-N 484.529 1.156 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(O)CCN(C)C2)c1 1587683166 CWDVENYOMAWOLT-RUZDIDTESA-N 481.601 1.319 30 10 JDEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1587872618 OGEZJYAGEAUPOB-UHFFFAOYSA-N 473.628 1.897 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1588024458 DGDBPGLPXPYPRK-YADHBBJMSA-N 498.653 1.708 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCC(=O)N(CC)CC)CC1 1588811221 CXNWJXNWJINEEY-UHFFFAOYSA-N 493.660 1.856 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(COC)CCC2)CC1 1588885371 WENONFNSIQFSJE-UHFFFAOYSA-N 465.558 1.708 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC2(CS(C)(=O)=O)CC2)CC1 1588946554 DQHMEZIFSNCMQJ-UHFFFAOYSA-N 499.637 1.668 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1593636552 NMEWWKWUQIMHEF-SFHVURJKSA-N 484.623 1.492 30 10 JDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1594569175 ZWBJIFHBFSNCCW-GOSISDBHSA-N 450.609 1.875 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CCCN2CCOCC2)CC1 1595466412 IQUBXKYLSGHCSN-UHFFFAOYSA-N 473.622 1.145 30 10 JDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1595544957 OKVCFJSXKZEXEH-PMACEKPBSA-N 471.650 1.864 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C(=O)NCC)CCC2)C1 1595722144 JESLZWDJPBCZEU-IRXDYDNUSA-N 451.593 1.268 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(Cn2cncn2)CC1 1595812045 LMUPTPHQVSUCED-UHFFFAOYSA-N 456.576 1.373 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1595838195 NCZXERJLWDHCNP-UHFFFAOYSA-N 479.632 1.705 30 10 JDEE COCCNC(=O)CNC1=CC(=O)[C@@]2(Oc3c(Cl)c(OC)cc(OC)c3C2=O)[C@@H](C)C1 1615243888 SCMVCFCUIFWUFM-MQJDWESPSA-N 452.891 1.516 30 10 JDEE CCN1CCN(CCCn2c(CNC(=O)c3cccs3)nnc2N2CC[C@](F)(C#N)C2)CC1 1615895317 FOEZGCDZPFREPJ-QFIPXVFZSA-N 474.610 1.739 30 10 JDEE C=CCC1(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)CC2)CCOCC1 1618200838 ABLAHZZFKJGIPU-UHFFFAOYSA-N 453.517 1.809 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(Cc3noc(C(C)(C)C)n3)CC2)c1 1634059832 MDWZVHBHEYOHQX-UHFFFAOYSA-N 459.572 1.627 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1689977991 JHYJTBVHMUUZOO-IOJLRTSASA-N 477.631 1.736 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1689981959 FARAXNDPQRQISU-GOSISDBHSA-N 487.582 1.115 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@H]1C 1690048801 OVNZXFYDXRCIOT-RTWAWAEBSA-N 486.617 1.770 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(=O)NCC(F)(F)F)CC1 1690125043 ZMBIRYHENPYHIU-KRWDZBQOSA-N 464.448 1.224 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1690144403 YAXVOKVQPAEFII-GOSISDBHSA-N 487.605 1.452 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@]2(C)COCCO2)CC1 1690150761 UHFOFFDTENZSAP-JOCHJYFZSA-N 458.588 1.405 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOc2ccccc2)CC1 1690170752 PKWYAWCBQWQXKV-HXUWFJFHSA-N 454.600 1.797 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCNS(C)(=O)=O 1690239110 RIGDJFYGOWPGMT-MJGOQNOKSA-N 497.643 1.315 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)Cc1ccccc1C2=O 1690660245 BYURXLSBFXEGFS-INIZCTEOSA-N 486.598 1.216 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1690669589 JFIYFSFNHOLWNH-UONOGXRCSA-N 466.468 1.588 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCc2ccccc21 1690671165 PYOISMINTUACKP-OALUTQOASA-N 474.587 1.037 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1690724861 XRQVAYLOCGGFFO-UYAOXDASSA-N 462.572 1.969 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@@H]1CC 1690731153 BBJBVFIITLOBOO-IRXDYDNUSA-N 496.634 1.666 30 10 JDEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1690737851 ZKPJAPWSEBZNJK-INIZCTEOSA-N 453.576 1.932 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@]1(O)CCc2ccccc21 1692772469 FCKBQVXAEMUXMS-OPAMFIHVSA-N 458.588 1.852 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccnc(N2CCCCC2)c1 1692798997 DMMRXYWTOQNDBR-WMZOPIPTSA-N 474.591 1.051 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCOC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1705564887 FBAKQXAYNPJNFW-XUVXKRRUSA-N 466.604 1.242 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1c(F)cc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1705567154 VDBPMRROHBFJPG-XHDPSFHLSA-N 485.463 1.461 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705567990 FEXUIHVFWIWKEN-NHCUHLMSSA-N 487.626 1.513 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccs1)N1CCOCC1 1705572241 VBUKWPFDDUBLOC-LJQANCHMSA-N 452.584 1.722 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCOC[C@H]1OC 1705584927 DLOWXSRCTQWWTH-ILBGXUMGSA-N 476.625 1.767 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1705595797 HAELSBMXLBNWGM-RUZDIDTESA-N 459.554 1.204 30 10 JDEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705807273 XVDWFKCLQHBTOD-IBGZPJMESA-N 460.579 1.036 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)[C@H]1CC 1705913865 ZSURKIQIRYQJQP-ZWKOTPCHSA-N 459.572 1.508 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)cc2)C1 1705925632 RWAJWUNBGRJSJP-WOJBJXKFSA-N 477.587 1.449 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CCOC)CC1 1705933051 SHASCEUJOUNILA-UHFFFAOYSA-N 470.599 1.863 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)C1 1706155959 AKZDSPBQRURKQL-SQNIBIBYSA-N 494.618 1.556 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1722296605 SMLYRIOSLOSIQB-IOMROCGXSA-N 457.600 1.253 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C[C@H]1CCOC1)C1CC1 1722316837 NCOTUYMLJPBNEI-MJGOQNOKSA-N 451.593 1.420 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1722359397 SOAMBQAIULCKEZ-FQEVSTJZSA-N 455.584 1.692 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722366992 LKJGQCNMOKSYPI-ZWKOTPCHSA-N 484.644 1.156 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCS(=O)(=O)CC1 1722384873 YZJUIXBFMQOFOR-UHFFFAOYSA-N 467.599 1.350 30 10 JDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1722401299 SHRONMZHTDTRED-GOSISDBHSA-N 466.508 1.517 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN2CCN(C(C)=O)CC2)CC1 1722430936 KFBNFOLBJJSVGR-HXUWFJFHSA-N 483.592 1.477 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722492511 BSUIBFSTZOTTIC-MJGOQNOKSA-N 480.635 1.356 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(CC)c1 1722510007 RHCXGOPXCPJUPR-UFYCRDLUSA-N 493.634 1.445 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1722692539 PXVCBIYHWYDCAJ-FQEVSTJZSA-N 451.575 1.527 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1722692803 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C=CCCCn1c(Cc2ccncc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1740878528 OFQRYRSQTVSXMA-UHFFFAOYSA-N 457.560 1.870 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(C(F)(F)F)CC1 1740888426 RYUTXWNSKFWTCF-CQSZACIVSA-N 452.499 1.667 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1740941008 ZLXWMOWWDRLXAX-FGTMMUONSA-N 466.608 1.072 30 10 JDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1740948500 IZTRRNYMULJVOI-UHFFFAOYSA-N 479.610 1.894 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[S@](=O)CC)C1 1740974724 OWPKZSKLVSQKRA-CQGGRAHPSA-N 452.602 1.899 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@](C)(C(N)=O)C1 1740991718 CHPPNDXZGOSPEN-UWJYYQICSA-N 461.544 1.093 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H](C)C1 1741055943 VDEZQSOXCHESFI-GBWQBGJGSA-N 497.531 1.580 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)c1ccccc1F 1741130578 AHICNVKCWUWBBD-XLIONFOSSA-N 493.609 1.872 30 10 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C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1540874658 NTEGTOAYEZHKHO-OAHLLOKOSA-N 491.346 1.563 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](N2CCCCC2)C1 1540875009 YUSSXNSGTJVUHS-KRWDZBQOSA-N 457.604 1.636 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)c2ccccn2)C1 1540893006 VFNARFHSJUYJFY-RBUKOAKNSA-N 490.630 1.765 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 1540897691 PPDYYORVINJBNK-PKOBYXMFSA-N 464.636 1.470 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1540908124 CFPNDLJEVMUFAT-VGOFRKELSA-N 480.562 1.981 30 10 JDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1547313054 IAOHEAOMBKFDQA-QGZVFWFLSA-N 464.574 1.084 30 10 JDEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 1547699789 FELGYEQZLAASGL-RBUKOAKNSA-N 452.607 1.661 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)ccc1F 1570416461 DYAXRHFWLZHGCV-UHFFFAOYSA-N 457.524 1.392 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(SC)c1 1587637998 AACRMQFKGFRJBL-GOEBONIOSA-N 450.590 1.234 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1588030599 YBAWQMUTDWOJCN-GOSISDBHSA-N 480.550 1.609 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1588039977 GZTMVIXEAHCBET-INIZCTEOSA-N 478.962 1.463 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1588060076 YVEIHFWWMYXQBP-QTEAWJPNSA-N 460.625 1.715 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(CS(C)(=O)=O)CC1 1588645505 ADFLOIUUIDPLTL-IBGZPJMESA-N 460.556 1.701 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCNC(=O)[C@H](C)CCC)CC1 1588768467 GHVRTTFYDFHBTD-LJQANCHMSA-N 486.642 1.656 30 10 JDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1609532010 DIZFXYJQOZNUAA-UHFFFAOYSA-N 473.603 1.592 30 10 JDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1617313227 GBKUTODNWAOZKT-UHFFFAOYSA-N 458.588 1.946 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)cc1 1617356539 DYQCHFZPXGFVAE-UHFFFAOYSA-N 459.496 1.137 30 10 JDEE C=CCOC[C@H](NC(=O)c1cnn(-c2ccccc2)c1I)C(=O)OC 1617949269 AQKXNWQMZOUJNH-AWEZNQCLSA-N 455.252 1.951 30 10 JDEE Cc1cc(C)c(NC(=O)CNC(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)c(C)c1 1641148258 GXNXPJWAJGEGMJ-UHFFFAOYSA-N 451.527 1.232 30 10 JDEE C=C[C@@H]1OCCC[C@H]1NC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1669355923 IBTVNYPBDFKEHZ-MSOLQXFVSA-N 453.561 1.890 30 10 JDEE COc1ccc(C[C@H](CO)CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1O 1686341191 DWJVSKNBQFOQHE-PMACEKPBSA-N 452.511 1.524 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNS(=O)(=O)CC 1689847647 DZSVNMGYFVNMJK-OAHLLOKOSA-N 457.560 1.072 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cnn(CCOC)c2)c1 1689870557 ROURXOQIVPMASA-FQEVSTJZSA-N 476.541 1.177 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c(OC)c(OC)c1 1690019888 UBWWXNQSWTZGJR-INIZCTEOSA-N 462.959 1.972 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](CC)OC)CC1 1690114925 LTEWZBKDGFDWHJ-IBGZPJMESA-N 460.604 1.376 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2nc(C(C)(C)C)cs2)CC1 1690124250 IANVMZDSVHPWJR-KRWDZBQOSA-N 476.672 1.932 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1690174790 KFHQIOZUHNGNPG-VQTJNVASSA-N 471.608 1.996 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2CCOCC2)CC1 1690237230 WTCSFMGGKUTBST-JBACZVJFSA-N 496.678 1.418 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1690288239 NYJSSCFBSOIKCX-VQTJNVASSA-N 477.587 1.774 30 10 JDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1690316973 QLVVVNWBCLUWSE-UHFFFAOYSA-N 459.595 1.720 30 10 JDEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCNS(=O)(=O)Cc1ccon1 1690527121 JTNQVTGMHIYJFG-SFHVURJKSA-N 460.516 1.520 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@](C)=O)CC1 1690619935 JJHIQVZWIIGNRU-YTTGMZPUSA-N 456.572 1.742 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1690644479 NMNBORBUJQJODI-LJQANCHMSA-N 480.635 1.416 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1690676711 BCJNJZWMOBWFRJ-MHECFPHRSA-N 471.558 1.942 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(NC(=O)C(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690677481 XVVVRCMWXCYWPM-QHCPKHFHSA-N 462.595 1.362 30 10 JDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1690682533 RIESUHHLFVJFPT-UHFFFAOYSA-N 457.560 1.373 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCNC(=O)C1 1690717839 SBJCYAFSPMQWKN-UHFFFAOYSA-N 484.376 1.253 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC(=O)N(C)C)c1 1705504379 USVFYGAWQUHDMO-DEOSSOPVSA-N 468.558 1.463 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1705559728 AVTUBKWZROLYTD-AEFFLSMTSA-N 480.612 1.258 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1705564800 CSHCGCUKDFPJAF-KRWDZBQOSA-N 468.539 1.315 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(SC)CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 1705567350 WZIPKOLHEZUPGR-SFHVURJKSA-N 477.660 1.133 30 10 JDEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1705572373 ZFJQGUNTRBTATO-FGTMMUONSA-N 493.630 1.591 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCS(=O)(=O)C1 1705591822 JBJHTJZJKBCYDB-HNNXBMFYSA-N 464.389 1.944 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)nc1 1705597402 DTPQXGIDOZIFII-HXUWFJFHSA-N 493.568 1.592 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1705884078 FMWBJDSKBQYVEN-HZPDHXFCSA-N 457.597 1.732 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccc(Br)cc2C1 1705897588 PMNLAOQKALLYCY-LBPRGKRZSA-N 483.392 1.473 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705899049 GVKKTKRMKNXFFC-GOSISDBHSA-N 458.950 1.728 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1705905024 GRXDZMGUHJGUJS-UHFFFAOYSA-N 499.572 1.216 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(c2ccnn2C)CC1 1705938106 MZOISIWZDNHGCD-UHFFFAOYSA-N 472.619 1.858 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1706075001 IBTLPTDZFXJMGF-BDXSIMOUSA-N 452.625 1.664 30 10 JDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1709937849 BOOSARRNECOPCQ-HXUWFJFHSA-N 458.588 1.552 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1710307561 DTJCAWOXMYCYPS-UHFFFAOYSA-N 458.588 1.992 30 10 JDEE CN(C)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)CCOCC1 1711001170 BOCCFUXZXJGPBG-XLIONFOSSA-N 450.609 1.421 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1csc([C@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1722372034 OGTKGWGUUBZKRJ-RDJZCZTQSA-N 492.627 1.239 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(C(F)(F)F)c1 1722388964 BOXCJKVHHKXUNE-CQSZACIVSA-N 454.478 1.813 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC(=O)NCC(F)F)CC1 1722434669 XAUQCHVVMYMZHV-UHFFFAOYSA-N 497.344 1.853 30 10 JDEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722460865 LYERZACEQRNJHI-UHFFFAOYSA-N 451.593 1.892 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1722698104 CCUKXIYXDUUWDK-INIZCTEOSA-N 456.551 1.354 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](COC)C2)cc1 1722705263 WGNIAFZXTXOKKR-PZJWPPBQSA-N 491.614 1.697 30 10 JDEE CC(C)C(=O)NCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1723092871 FOSAAIKXENEUEU-UHFFFAOYSA-N 459.558 1.629 30 10 JDEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C#N)C1 1727928044 HVGSVJZAPQWJPT-SJLPKXTDSA-N 454.531 1.997 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1729741036 GFDLGHJJDRTHSF-UHFFFAOYSA-N 481.586 1.099 30 10 JDEE COc1ccncc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1730340010 BGZXQOPDHADKAV-UHFFFAOYSA-N 483.554 1.262 30 10 JDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1740615839 MEBOFCYESIBYJX-CRAIPNDOSA-N 479.990 1.523 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1740616176 VJDLGRHABWMUAL-FQEVSTJZSA-N 498.609 1.300 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccccc1 1740639998 HTTACGKOSRLKLM-UXHICEINSA-N 457.556 1.072 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCN(CC)CC2)nc1 1740644408 FATUFYGCFPXHQE-UHFFFAOYSA-N 462.602 1.464 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN(C)c2ccccc2)CC1 1740705602 JBNSYUIMRTXDPA-OAQYLSRUSA-N 463.586 1.722 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCN2CCSCC2)CC1 1740707440 BYJDPTNYMZINID-UHFFFAOYSA-N 498.653 1.880 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)Oc2ccccc2OC)CC1 1740708263 JBGLRCQRYXSHPX-LJQANCHMSA-N 494.596 1.842 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCCN2CCOCC2)CC1 1740717150 KWFLXJJJBSEGDP-OAQYLSRUSA-N 495.715 1.875 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740758412 XGVOALSDQJIBEF-RXVVDRJESA-N 454.579 1.363 30 10 JDEE C=C(Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)NCC)CC1)c1ccccc1 1740800071 FYFLROLEMXXDCK-UHFFFAOYSA-N 451.575 1.372 30 10 JDEE C=C1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCNS(C)(=O)=O)CC1 1740823702 LOWFBRHXLYLNBM-UHFFFAOYSA-N 471.587 1.942 30 10 JDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1740948067 SQUFWGLBZXHYQP-UHFFFAOYSA-N 454.622 1.697 30 10 JDEE C=CCn1c([C@H]2CCCO2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1740950794 HWDVUZCZXDJYHT-FPCVCCKLSA-N 453.565 1.442 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(C)c2C)CC1 1740959791 FDOKXBVEEJZZEG-IBGZPJMESA-N 472.615 1.426 30 10 JDEE C=CCNC(=O)Cn1c(N2C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1740964707 GZQGSIFUHZNUIS-HKARXFIJSA-N 478.594 1.582 30 10 JDEE COC(C)(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C#N)C1 1748363430 BWVPWIYOAHAMBK-OAQYLSRUSA-N 453.591 1.797 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCCS1(=O)=O 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C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1C[C@H](C)O[C@@H](C)C1 1300527743 KKNXYLKTMRDVPZ-PMACEKPBSA-N 473.581 1.764 30 10 JDEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)N1CCOCC1 1300683028 HGRVUYWPNJBEBU-INIZCTEOSA-N 458.544 1.167 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)c2ncc(C)s2)CC1 1300683788 SWJUXXPTDUDBAR-HOCLYGCPSA-N 451.622 1.212 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)C1 1300886496 YFTKKUCEHWUBQZ-TVFCKZIOSA-N 471.649 1.534 30 10 JDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1300904107 FTJVBGHHGHBHNC-HJPURHCSSA-N 454.531 1.088 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1300928594 ICNFYNZZZSBVMR-OAHLLOKOSA-N 450.540 1.566 30 10 JDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1300990141 UALBUKROAARGLN-NRFANRHFSA-N 460.623 1.899 30 10 JDEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(N)=O)CC1)c1ccccc1 1301163504 JYBYJMCTPHKRCN-VQIMIIECSA-N 460.604 1.950 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(F)c1 1301588918 LTTURQZEAHBHIV-MRXNPFEDSA-N 486.591 1.565 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCC2)CC1 1314644944 DYBLURUYMZSYSE-UHFFFAOYSA-N 467.574 1.244 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2cc(C)oc2C)CCO1 1315015497 ICUZGIUZQKPHJA-BWKNWUBXSA-N 494.552 1.798 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)c(OC)c1 1358889563 DHCBFUHWLFUBRS-KDOFPFPSSA-N 467.979 1.779 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ncc(C)s1 1358889676 FMWDFVSCNNSWLT-DZKIICNBSA-N 452.606 1.638 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cn3ccccc3n2)CC1 1358905318 XCUKPGWDIOROQE-LJQANCHMSA-N 484.630 1.662 30 10 JDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS(=O)(=O)CC1 1358910423 OHIWUOLLOQVYHA-UHFFFAOYSA-N 450.590 1.277 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN2CCc3ccccc3C2)CC1 1359029343 VFIIQQONNPYFDC-HXUWFJFHSA-N 485.658 1.092 30 10 JDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1359082098 YLNFMUXJCHQRAZ-CABCVRRESA-N 466.384 1.955 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Nc2cccnn2)CC1 1359121999 RVACHNBLKNBJCC-QGZVFWFLSA-N 462.580 1.058 30 10 JDEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359133108 LTBWMJXAODMUPF-MSOLQXFVSA-N 499.634 1.803 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1359216387 VRSPVEQXIKKMQZ-SFHVURJKSA-N 475.619 1.970 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(COC(C)(C)C)on1 1359240745 WTXKZQNNOLSRQA-KRWDZBQOSA-N 468.580 1.585 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1359327065 RAKONAQSYVUHQR-QGZVFWFLSA-N 498.650 1.710 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(Cc2cscn2)CC1 1359330319 OBYIXRZZMJAEAY-UHFFFAOYSA-N 459.601 1.720 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1359331604 DLOGBZQDUUSQLW-UTKZUKDTSA-N 463.535 1.067 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1359333849 LYMKXLFMESNVGW-INIZCTEOSA-N 451.980 1.825 30 10 JDEE Cc1cccc(NC(=O)N2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)c1 1459661297 FPJUESUBMGEDED-UHFFFAOYSA-N 451.531 1.661 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Cl)c(Br)c(OC)c2N)CC1 1464844520 IKKJBUTVDKWWES-UHFFFAOYSA-N 457.756 1.591 30 10 JDEE Cc1ccc(S(=O)(=O)NCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@@H](C)C#N)s1 1492437544 COYANYYLWXGAOV-JSGCOSHPSA-N 451.578 1.174 30 10 JDEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1501789125 FXVIOPRJTILMOE-UHFFFAOYSA-N 474.516 1.782 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)NCCC)CC1 1507564097 MSICMXUAAHNROY-LJQANCHMSA-N 480.635 1.157 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1507588352 KMWMPRYWIVPKSC-QZTJIDSGSA-N 460.560 1.077 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1507588539 MRKOWOGMYLHSRG-QGZVFWFLSA-N 459.576 1.027 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1507631609 RCYCGUJQQCZBDK-SFHVURJKSA-N 452.540 1.749 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1507639458 KJOGSRGGHQDDKU-QZTJIDSGSA-N 457.556 1.071 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N[C@H](C)CC 1507641575 HQVVENKBSWHFEL-QGZVFWFLSA-N 469.615 1.924 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1507701601 LYTVEASXTFQQJC-NRFANRHFSA-N 491.589 1.817 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1507701920 DUJWHJVXDQQOND-NRFANRHFSA-N 480.613 1.869 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1507725401 VBARPBYDYSAFOP-UHFFFAOYSA-N 453.572 1.080 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2OC(C)C)CC1 1507731625 NKBKRGDFNINNBU-HXUWFJFHSA-N 457.600 1.771 30 10 JDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1507842100 COHATEUZXCKGFT-IBGZPJMESA-N 468.606 1.897 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1508041149 HDYZFKFPWDMBTE-UHFFFAOYSA-N 472.571 1.408 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(Cc2nc(COC)no2)CC1 1508082011 QVUCEOWCQJILSV-UHFFFAOYSA-N 486.964 1.752 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1508143225 KKSFESFODJPWMD-LJQANCHMSA-N 472.619 1.543 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC1(N(C)C)CCOCC1 1509682221 BRFLPUWBOZDGBB-UHFFFAOYSA-N 498.607 1.864 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccccc1OCCN(C)C 1510171898 BCINOPADBROBNY-QGZVFWFLSA-N 475.619 1.617 30 10 JDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1517776389 CJNNMMZSLQFRMU-LJQANCHMSA-N 467.574 1.508 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)ccc1F 1521155886 BWSSJVXFQXFYAS-UHFFFAOYSA-N 459.496 1.932 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)NC(C)C)cc1 1538972538 KKPFYXKUAJAZPN-CVEARBPZSA-N 461.592 1.924 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2cccnc12 1539014233 LMUMCVGFUUSNPQ-APWZRJJASA-N 454.556 1.665 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CC1CCN(C(=O)OC)CC1)[C@@H]1CCS(=O)(=O)C1 1539212996 ZEIMHDNVMPRHTE-GOSISDBHSA-N 474.587 1.389 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN(CC)C2CC2)CC1 1539467549 UVYCWSGHVOTPIM-UHFFFAOYSA-N 464.574 1.376 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)S[C@H](C)C1 1540038313 YZPNBDITSICDIW-IXDOHACOSA-N 459.638 1.534 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(O)CCS(=O)(=O)CC1 1540087730 AEOXDERKOMTYOA-INIZCTEOSA-N 469.608 1.912 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1540863903 IWIXPVMCKUHZMY-LJQANCHMSA-N 464.368 1.311 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCC[C@H](COC)C1 1540868871 UYLSVBIZRXDBFQ-KRWDZBQOSA-N 475.619 1.793 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)[C@@H]1C 1540870805 XMCWFWFCJZHQJF-DLBZAZTESA-N 475.594 1.362 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1540875895 AXESFEIWFNBLFN-FBBABVLZSA-N 456.595 1.685 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2(OC)CCOC2)C1 1540885686 NNZNNCCDBVBSSX-WMZHIEFXSA-N 491.614 1.782 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)c2ccccc2)C1 1540892960 UTMQVFWSLGYAHM-MSOLQXFVSA-N 480.612 1.435 30 10 JDEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H](O)C(N)=O 1556459843 FFUAIIJSISTQMP-VQTJNVASSA-N 457.914 1.999 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Br 1587639349 KWZPHPBNHBCAKR-YOEHRIQHSA-N 482.404 1.880 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1588058921 FNUBECUMBSUTPN-FOGNVHKLSA-N 470.567 1.542 30 10 JDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(CS(C)(=O)=O)cc1 1588629143 ZAUPEOFAPVQIDO-UHFFFAOYSA-N 485.566 1.685 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)CN2CCOCC2)CC1 1588780049 FWIIPOZTMGSTNG-FQEVSTJZSA-N 468.602 1.686 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ccc(F)c(F)c2)CC1 1588884430 AIDDZYZAMOPNPT-UHFFFAOYSA-N 486.523 1.837 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H]1OC 1589216584 SCNVIGRYXAIILK-OEMYIYORSA-N 451.593 1.418 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)COC)CC1 1589567071 ABQXWTJWRBTOEZ-DENIHFKCSA-N 457.579 1.416 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(C(=O)OC)CC1 1595218492 LQEXLFXOLLMPLT-SFHVURJKSA-N 482.607 1.268 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1595496763 GONZTHKRUHBVHC-FQEVSTJZSA-N 495.628 1.779 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1595595465 VYXTUQNFVZDLGD-UHFFFAOYSA-N 497.600 1.296 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1595658443 DCQNRRIDRCXHMB-GOSISDBHSA-N 461.588 1.913 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C(=O)NCC)CCC2)C1 1595722146 JESLZWDJPBCZEU-SJORKVTESA-N 451.593 1.268 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CC)CCC2)C1 1595730922 ZVPOVBBUPXGDBM-ROUUACIJSA-N 453.609 1.973 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCN(C)C2)C1 1595755241 UGRUWWMTZBJXTQ-YDLHNXBPSA-N 476.622 1.897 30 10 JDEE N#Cc1cccc(NC(=O)N[C@@H]2CO[C@@H]3[C@@H]2OC[C@H]3n2nnnc2Oc2ccc3c(c2)OCO3)c1 1616132362 WXPZDICQUGNOPY-SMOSDQRPSA-N 477.437 1.595 30 10 JDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(S(=O)(=O)NCCOC)c1 1618166483 OIAKZIFDEWRKKI-GOSISDBHSA-N 453.561 1.534 30 10 JDEE COCCN(C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1619876593 FSGYIDYWFRPDPG-NRFANRHFSA-N 463.945 1.882 30 10 JDEE CS(=O)(=O)CCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1620162302 ABCXOXFAKJGHHG-UHFFFAOYSA-N 489.577 1.173 30 10 JDEE N#C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(O)CCSC2)CCO1 1620354475 GCJWBRVWPUSZNE-UZLBHIALSA-N 462.963 1.458 30 10 JDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1 1660940192 LMXBZTKXDPKBRK-INIZCTEOSA-N 454.574 1.455 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(CCOC)CCC1)[C@H]1CCS(=O)(=O)C1 1689977863 FOMMEPBCVZJMJM-SFHVURJKSA-N 463.604 1.348 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1689982812 VDTUESJRCURBKL-YKSBVNFPSA-N 488.610 1.808 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1689986402 OZYCYMPZVIHVRS-INIZCTEOSA-N 466.585 1.015 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1690058850 CMMVCNOJOFUVCA-QZTJIDSGSA-N 464.592 1.323 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1690077640 SVOQAEWHNNWZAW-IBGZPJMESA-N 484.586 1.212 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cc(C)on2)CC1 1690124518 NKBAUFAYOBTOTM-IBGZPJMESA-N 471.562 1.686 30 10 JDEE 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30 10 JDEE COc1cc(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc(OC)c1OC 1873528533 BCOJCHWIAHXPQN-WUWVFJBVSA-N 456.908 1.728 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cn(Cc4ccc(OC)cc4)nn3)CC2)CC1 1890562576 KOKDNJLPMPKICJ-UHFFFAOYSA-N 480.613 1.597 30 10 JDEE CCN(CC)CC#CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)OC)cc1 1891560363 YANRTYSVHWTDAG-HXUWFJFHSA-N 464.588 1.870 30 10 JDEE CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255603409 DKXXXXZHHRESNF-WJOKGBTCSA-N 454.358 1.566 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256629036 PNUXYFXEGGODGH-NSPYISDASA-N 454.358 1.128 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256629736 YNJDKHVJRYEPIL-CHWSQXEVSA-N 453.370 1.429 30 10 JDEE Cc1c(C(=O)N=[S@](C)(=O)CCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267141633 XXVSLZVSEICRJD-JGCGQSQUSA-N 470.401 1.790 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@H]12 2267160521 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CC(C)(C)OC(=O)N1CCn2[nH]c(=NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)cc2C1 2281930581 NEGIJTANYFXSHZ-UHFFFAOYSA-N 458.328 1.330 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)[C@H](OC)C1 2281973353 AHSXFRAEAKWQKJ-JKSUJKDBSA-N 464.372 1.566 30 10 JDEE Cc1nn(C)c(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2281991196 XCLLJXOHZVDUMT-DEOSSOPVSA-N 454.380 1.395 30 10 JDEE CC(C)C[C@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2282308146 NFCXCSPMTCTLMU-CQSZACIVSA-N 487.432 1.332 30 10 JDEE CN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282324433 PCCSKHNVODKFAA-UHFFFAOYSA-N 485.416 1.134 30 10 JDEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282329191 JJLGMEULDLCSDC-OAHLLOKOSA-N 484.428 1.739 30 10 JDEE Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282680004 ICAVJLKBSPZYSL-UHFFFAOYSA-N 450.352 1.906 30 10 JDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1ccc(F)c(F)c1B1OC(C)(C)C(C)(C)O1 2283957616 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C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)c2)c(=O)n1-c1ccccc1C#N 917799074 KNPSQCRMNMBOIF-UHFFFAOYSA-N 478.537 1.762 30 10 JDEE C/C=C/C[C@H](C)[C@H](O)[C@H](C(=O)N[C@H](C)C=O)N(C)C(=O)[C@H](NC(=O)[C@H](CC(C)C)NC)C(C)C 1083142268 XCKLRIIJXNQBFT-NFNAUKAXSA-N 482.666 1.255 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](OC)C(C)C)c1 1286310560 DNPWYBCVMPJYHL-QUCCMNQESA-N 473.599 1.907 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OCCOC 1286376600 MFCGXGDHWYOSBW-FQEVSTJZSA-N 477.587 1.062 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286385629 XZWBRBSYDXHELV-SIKLNZKXSA-N 466.604 1.374 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286392051 AJGBLFWSYPPIOG-LEWJYISDSA-N 490.674 1.682 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1286420024 KIMQLECPEINECH-VGOFRKELSA-N 460.531 1.570 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)C(C)(C)C 1286443009 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C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCCOC)[C@@H]1CCS(=O)(=O)C1 1300494112 YVDUUYJIPVDJJA-GOSISDBHSA-N 498.609 1.635 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1300502142 RFQMSIQSNADNFB-BDTNDASRSA-N 472.611 1.742 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1OC(F)F 1300537283 CPCPTAGGYOYLIK-SFHVURJKSA-N 497.499 1.473 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1snnc1C 1300545578 SEDPDNQGQARFET-UHFFFAOYSA-N 460.611 1.924 30 10 JDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCN(C)C 1300630939 JYGVXCCZNJPTHW-GOSISDBHSA-N 450.584 1.624 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCNC(=O)c2cccc(O)c2)CC1 1300699391 CFRVOCIZSMEDAD-NRFANRHFSA-N 452.559 1.801 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)CC1 1300718833 GNLHAMUOHWYNFH-UHFFFAOYSA-N 475.597 1.629 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccn1C(F)F 1300806342 SABNZMAGCOTILN-AUUYWEPGSA-N 469.518 1.243 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1300876547 TYUYYOFLFAKXHN-HUUJSLGLSA-N 496.678 1.559 30 10 JDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCc2nn(C)c(=O)cc2C1 1301000667 WJLIRFQQFQSOAU-UHFFFAOYSA-N 469.571 1.519 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1301151051 HVDFXBSHLXTHLP-QZTJIDSGSA-N 465.620 1.610 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1301482691 AKHLKVOTQKCUJQ-UHFFFAOYSA-N 460.485 1.955 30 10 JDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1301508696 QWQFDJFSCAFRTQ-UHFFFAOYSA-N 452.563 1.134 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCc2c(ccnc2O)C1 1301568337 RPMQNDHPUOWEBL-UHFFFAOYSA-N 462.576 1.461 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1301579843 YYUIEBOQXTUOHV-GOSISDBHSA-N 460.604 1.630 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1301584782 DNEBCTFSHQJAFC-VQTJNVASSA-N 472.615 1.541 30 10 JDEE 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COC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1504676911 HPVLCPVPGUQVBS-GOSISDBHSA-N 459.572 1.619 30 10 JDEE COCCN(CCC#N)c1nnc(-c2ccc3ccccc3n2)n1C[C@]1(O)CCS(=O)(=O)C1 1504885008 IAOJZTLJOSESIX-JOCHJYFZSA-N 470.555 1.409 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOc1ccc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1507622282 CWWWVONRQHWLEA-KRWDZBQOSA-N 492.989 1.268 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1507635541 WXMPWEMVABAYLO-QGZVFWFLSA-N 495.621 1.823 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](C)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1507637994 CPGOVSKPXRJKGA-XLIONFOSSA-N 473.574 1.970 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1507641047 YOSRZDYAVZRQGX-GOSISDBHSA-N 457.556 1.780 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCCN(C)C 1507670220 ZURPBPDFYVUBDB-NRFANRHFSA-N 469.611 1.632 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(N(C)C)CCSC1 1507710066 CEOWGFBYGMDYGT-DEOSSOPVSA-N 484.674 1.975 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(C(N)=O)c2)CC1 1507740879 GUTPUPPUMXSCGF-SFTDATJTSA-N 480.569 1.115 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1507798079 FYVZZMRTQXRYCP-PKOBYXMFSA-N 461.592 1.482 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccco2)CC1 1507845380 ZUTVSGXJVJJMAV-QGZVFWFLSA-N 463.560 1.328 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCO[C@@H]1C 1508025381 QDZXJJUVIYRIPR-XQFWAAQXSA-N 460.600 1.955 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](CC)C1 1508135549 MOFNOLMLMFLTDI-SFHVURJKSA-N 497.643 1.411 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1508136208 QGULGVQNDMSEMY-MSOLQXFVSA-N 489.598 1.668 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](OC)C(C)(C)C1 1508143728 KGWGWGLCTAGVNR-GOSISDBHSA-N 458.588 1.979 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1539202112 GCDUGFIETIFCCZ-LJQANCHMSA-N 499.641 1.674 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1539206652 UDBPDRDBISLUMZ-GCJKJVERSA-N 466.604 1.251 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539229475 DUTVPDNOVQZJSL-TZIWHRDSSA-N 484.626 1.552 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(SC)cc2)CC1 1539431203 QIANXXPCYDESBZ-QGZVFWFLSA-N 462.645 1.608 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)Oc2cccc(F)c2)CC1 1539477750 XNMGTNPCNWSMGD-JXFKEZNVSA-N 468.533 1.802 30 10 JDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1539506055 HAAKBIQRMFXLLW-MRXNPFEDSA-N 477.612 1.806 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1539615806 MEOZPONVBIFHLA-HCXYKTFWSA-N 482.651 1.563 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1539620762 NLLIXDIAIUUGOG-MMOPVJDHSA-N 473.599 1.997 30 10 JDEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(OCC(N)=O)CC1 1539801642 FJIPWUZSJYQKAP-UHFFFAOYSA-N 460.970 1.675 30 10 JDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1540027436 WPPKNGNLBLIDEB-SFHVURJKSA-N 464.592 1.497 30 10 JDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1540040234 PLYWKYAIQQBRJT-UHFFFAOYSA-N 467.574 1.128 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1540863715 CJMWQHMHHVJMRG-HOTGVXAUSA-N 465.352 1.722 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)C[C@@H](C)C1 1540865087 VAMXVJVPJPYODS-IAGOWNOFSA-N 460.604 1.980 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1540869592 QZJRZSIZVPLHJY-YESZJQIVSA-N 473.578 1.271 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1540901034 QUMHJZFKGQBHHC-LJQANCHMSA-N 487.630 1.074 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1540902296 GCRVWDUXUFERLN-LJQANCHMSA-N 478.663 1.669 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1540904084 IXCOFLDTBSKETQ-SFHVURJKSA-N 470.592 1.622 30 10 JDEE CCC[C@@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1546832753 HRCICZUJDLBVNZ-OPAMFIHVSA-N 493.609 1.777 30 10 JDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(N(CC)CC)nc2)CCOC1 1547918858 HSCLXAGIXAIZRU-AUSIDOKSSA-N 455.563 1.948 30 10 JDEE CCO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1548056945 FZLAZQTZTCGKGK-FQEVSTJZSA-N 474.587 1.770 30 10 JDEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1555519377 FEINIHAVBGZIHZ-UHFFFAOYSA-N 462.558 1.441 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CN(CC(C)C)CCO1 1587931926 GCIQBLAAPBPTAP-FQEVSTJZSA-N 474.631 1.622 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1588064714 NSAUDTISSFWMHT-LJQANCHMSA-N 452.540 1.343 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCN(C(C)=O)C1 1588089699 NSQLFWFVLKSGIV-HXUWFJFHSA-N 481.626 1.878 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1CCS(=O)(=O)N1CCSCC1 1588098994 FUAMUANNGXDNPQ-UHFFFAOYSA-N 459.597 1.405 30 10 JDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(CS(C)(=O)=O)c1 1588129127 XHOJZCQUOSXKRC-UHFFFAOYSA-N 465.535 1.672 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2ccc(OC)cc2)CC1 1588741862 JJYLFQDLWHLEAL-SFHVURJKSA-N 460.604 1.285 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCCC(C)(C)C2)CC1 1588884685 KKIBMSLQNSFIHF-UHFFFAOYSA-N 457.623 1.504 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1588899583 SGKWVNOHTDXSNS-DEOSSOPVSA-N 485.610 1.023 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1588913236 DBVNPGBNELRMSZ-WOJBJXKFSA-N 467.618 1.749 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](S(C)(=O)=O)C2)cc1 1595614537 WUZAVXPCJRFWFX-HKUYNNGSSA-N 480.612 1.417 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCSCCCO)C[C@@H]2C)CC1 1596267832 MXKQKFICWDVXON-WMZHIEFXSA-N 497.669 1.921 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)COC2 1611307639 FCAVHNAJTMOBEC-DNVCBOLYSA-N 460.560 1.428 30 10 JDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCC2=O)CCN1S(C)(=O)=O 1620313819 HLHYCAOOYAAAQD-SFHVURJKSA-N 485.614 1.689 30 10 JDEE Cc1nn(C)c(N2CCN(C(=O)Nc3cccc(S(=O)(=O)NC4CC4)c3C)CC2)c1C#N 1623121419 HVQFDZZWEHKVPT-UHFFFAOYSA-N 457.560 1.703 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)CC1 1627015475 RBEKXKGAMRKAJQ-HEHNFIMWSA-N 459.510 1.215 30 10 JDEE N#Cc1ccccc1N1CCC(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)CC1 1634973202 CXQGICDSFFFJSZ-OFNKIYASSA-N 450.514 1.987 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)cc1 1637629359 JNDPPGUTOWJVMN-OAQYLSRUSA-N 453.561 1.907 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3cccc(F)c3)C2)C1=O 1639072829 CQUMHXXIQSTTRI-DLBZAZTESA-N 474.489 1.622 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2COC3(C2)CN(C(=O)OC(C)(C)C)C3)c1 1645262784 HGENEIVFOIHDMH-MRXNPFEDSA-N 451.545 1.659 30 10 JDEE Cc1csc2ncn(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)c(=O)c12 1656607050 BVJALOLZYXLNSR-UHFFFAOYSA-N 457.537 1.171 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCN(c4ccccc4F)C3)CC2)cc1 1686662972 HCZSIRLDBOKAOL-SFHVURJKSA-N 457.531 1.992 30 10 JDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(OCCOC)CCOCC1 1689961435 XJUTXCAUMHUFPP-UHFFFAOYSA-N 480.569 1.957 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1689983417 BGNVBFNRFVGBIW-IBGZPJMESA-N 487.626 1.931 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689987700 AVTLUQYJGLILRK-IEBWSBKVSA-N 457.556 1.107 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CCc1nccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1689993564 GXOWLMGAZGDWLJ-OAHLLOKOSA-N 468.505 1.909 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1689995782 ABMUXAXLMQVFHI-VGOFRKELSA-N 492.623 1.360 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)CC1CC1 1690006240 LJLJXJKVWJBZJS-UHFFFAOYSA-N 460.581 1.246 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CN1CCCCC1 1690047452 REQFMKGLTBKYBU-LEWJYISDSA-N 476.647 1.196 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1([S@](C)=O)CCC1 1690088290 HNPCTCRNEMUSSM-ZYSBOAIWSA-N 481.619 1.968 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCNC(=O)C2CCC2)CC1 1690110458 NFGQMSLJILNEIR-UHFFFAOYSA-N 498.031 1.923 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690247830 GZVWDVLTEDAXSZ-SIKLNZKXSA-N 481.601 1.418 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1690665535 HGULSPVURVONOI-NRFANRHFSA-N 467.618 1.861 30 10 JDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CC1 1695596105 BYKXUUQDTLFWPU-RUZDIDTESA-N 481.601 1.613 30 10 JDEE CCOC1CC(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)CC#N)(N2CCOCC2)C1 1696183715 DLGSDHMHGZOXOT-HGCBZUSOSA-N 459.595 1.522 30 10 JDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCCN2CCCC2)CC1 1696588447 GEGRMAKFVOMLQS-UHFFFAOYSA-N 451.575 1.986 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@](C)(O)CCOC)CC1 1705650628 VRQJVTDJGLKNQD-RUZDIDTESA-N 479.585 1.270 30 10 JDEE C=C(C)Cn1c(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1705728401 JGGHLVLFEUXIDU-NQIIRXRSSA-N 469.608 1.137 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@@H](C)C1)C1CC1 1705854100 ISKHBKCFMRSRNP-MJGOQNOKSA-N 452.625 1.498 30 10 JDEE C=CCn1c(Cc2ccccc2C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705891192 IELMANULOGTYDF-UHFFFAOYSA-N 455.588 1.916 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccccc2C)CC1 1705928992 XSSNELBAVPZXND-UHFFFAOYSA-N 486.642 1.746 30 10 JDEE CNC(=O)CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1711382519 BXZVSHLFFHMAAL-LJQANCHMSA-N 474.587 1.658 30 10 JDEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(CS(C)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 1722358507 ISSDTSALCFYMKW-LJQANCHMSA-N 464.613 1.621 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CC1(NC(=O)OC(C)(C)C)COC1)[C@H]1CCS(=O)(=O)C1 1722359053 PJDMURILRUPMJL-INIZCTEOSA-N 481.619 1.496 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(OC)CCOC1 1722417521 KIJDXNRXFDSJGD-IIBYNOLFSA-N 465.551 1.473 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCN(C)[C@H](C)CC)CC1 1722433641 CTFZZZHUCWXNRZ-HXUWFJFHSA-N 487.674 1.681 30 10 JDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1722549463 OSNULIDOHHBHEN-FVQBIDKESA-N 495.993 1.614 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1722603061 FPJRXJPNDVVJPV-UXHICEINSA-N 482.651 1.126 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](COC)C1 1722695249 XVJWHURHCGHREC-HNNXBMFYSA-N 480.363 1.870 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CC(=O)N1CCOCC1 1722701920 HSLPPKXEFCTGKW-UHFFFAOYSA-N 484.601 1.752 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCS(=O)(=O)NC)C1 1722713469 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CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@](CO)(NC(=O)OC(C)(C)C)C2)c1 1179601310 XXFYDQPZJYTVPH-QFIPXVFZSA-N 450.557 1.975 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccccc2Cl)N(CC)CC)CC1 1223442744 GUFYUXYQCREAAF-IBGZPJMESA-N 456.012 1.518 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNS(=O)(=O)CC 1286298141 GAIVWVPSPUXJFB-IAGOWNOFSA-N 468.624 1.790 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCSC2)c1 1286312380 XDKVWRLXFVCUJX-VGOFRKELSA-N 489.623 1.104 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1286380730 CZOCXXBTWVTNSS-UBBRYJJRSA-N 468.620 1.354 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1286381461 MQBOKWBDYOVCSI-BSRJHKFKSA-N 486.598 1.900 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286388067 XMTKMGRBJVZKOC-FGZHOGPDSA-N 498.653 1.515 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1286393649 LVKQMTWYQDGMAN-RTBURBONSA-N 462.597 1.164 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1286397626 TWHQBEFAYHWBTD-LJQANCHMSA-N 484.582 1.757 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(C)OCCc2sccc21 1286421340 XCBXDIPLPRCYRB-IERDGZPVSA-N 461.613 1.901 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)CCOC 1286427774 MFYOENXBLFVLKI-DVECYGJZSA-N 475.590 1.837 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1286823152 KZVRMUXRLRSTOR-IEBWSBKVSA-N 470.555 1.044 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(OC)nc2)CC1 1296296956 CJTQEODLCMBYSX-UHFFFAOYSA-N 490.568 1.439 30 10 JDEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1300367833 KBDHTQBVTHTSPG-UHFFFAOYSA-N 469.615 1.708 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1coc2ccccc12)[C@H]1CCS(=O)(=O)C1 1300485467 WZZQARSGZGTYTI-WBVHZDCISA-N 491.595 1.310 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1300491246 FRWIGAQTKJQPKE-DLBZAZTESA-N 493.536 1.700 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300512953 OSRQPICZLISYSO-OAHLLOKOSA-N 479.404 1.400 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CN2CCCC2)cc1 1300631465 QPYWFKWTTGGLCT-QFIPXVFZSA-N 486.642 1.715 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCNS(=O)(=O)CC)CC1 1300682848 KGBYMKWIMGJRAK-QGZVFWFLSA-N 481.022 1.766 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1300684906 CJBOJWKLSTWGLT-WIOPSUGQSA-N 474.650 1.431 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCNC(=O)C2CC2)CC1 1300699609 FQYIEZQKDFBKBT-FQEVSTJZSA-N 485.633 1.674 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1300731498 GIAHDNZRHDXLNC-ZWKOTPCHSA-N 462.620 1.248 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1300928787 NZXVLFQJJFQTKS-QGZVFWFLSA-N 461.592 1.225 30 10 JDEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1301045785 XUZHYMHZUZXVNS-KRWDZBQOSA-N 498.028 1.597 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1c(F)cccc1Cl 1301479398 ZDAJILNLFKBRKT-GFCCVEGCSA-N 458.947 1.619 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1301483320 OBRURKICGIAHKL-MRXNPFEDSA-N 492.422 1.507 30 10 JDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1301497350 UFPKWCSSUMLKRP-UHFFFAOYSA-N 471.587 1.589 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1301514898 NZMWBQNMQXECBY-IBGZPJMESA-N 481.557 1.249 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C(C)C)C2)CC1 1301763398 FRNSMGLABPCHSA-QFIPXVFZSA-N 451.575 1.842 30 10 JDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1)C1CCOCC1 1313042100 DIRLKGFJPRFNSZ-GOSISDBHSA-N 451.545 1.148 30 10 JDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCNS(=O)(=O)Cc2ccon2)CCO1 1316537135 ASBOOPOTTKYVPT-HNNXBMFYSA-N 495.924 1.574 30 10 JDEE C#CCCCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1358908560 AZWIIVBDOFIHBW-UHFFFAOYSA-N 468.533 1.395 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1358959358 HHFWVIQEYIENIJ-HGCBZUSOSA-N 458.584 1.810 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358960599 ICTOMFVFFWNVTI-UNMCSNQZSA-N 486.642 1.632 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1358962050 JJHOWWJEWDUDBS-HNNXBMFYSA-N 463.560 1.305 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1358966280 LMLNWCAFIJUMQN-VPTFNQTCSA-N 464.613 1.561 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)COC)CC1 1359090247 XRYXSOQFMYNCHI-PXNSSMCTSA-N 460.579 1.227 30 10 JDEE Cc1cc([C@](C)(O)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c(C)o1 1360997222 CZJJRNDOOFWWRW-ZNOIYHFQSA-N 454.528 1.448 30 10 JDEE CCN1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccccc3C#N)CC2)CC1 1502309274 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CCOc1ccnc(N2CCCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)N(C)C)CC2)n1 1516352740 AGXVSFCJZGQUPX-UHFFFAOYSA-N 475.557 1.810 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 1534591982 ONRCIWNMQDEOKW-IYBDPMFKSA-N 458.602 1.692 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(C)(F)F)c1 1539180049 VUCHEIAHLZWVHM-KRWDZBQOSA-N 453.515 1.840 30 10 JDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539194065 QWTGCWWXTRVNJV-IRXDYDNUSA-N 476.628 1.543 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](SC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539229325 BMHFGLLESQEXFA-IRXDYDNUSA-N 467.661 1.805 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC(F)(F)F 1539305127 QCBWFPNJHWWTAX-UHFFFAOYSA-N 467.473 1.490 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[C@H](O)C1 1539399167 FAVQOWGXNMRGRU-ICSRJNTNSA-N 475.615 1.833 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1539466936 JUMLZTDHWQVVLT-IBGZPJMESA-N 454.550 1.851 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(C)CCOCC2)CC1 1539467233 PRPHHUJWWRXQTJ-UHFFFAOYSA-N 465.558 1.708 30 10 JDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1540868332 ARNOSRDMTPUBCQ-UHFFFAOYSA-N 451.531 1.034 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2ccccc2C)CC1 1540877413 UKNUIGRQJQPXNL-GMAHTHKFSA-N 468.602 1.935 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOC)[C@H](C)C1 1540900429 VKVMLMBFTXRACF-GOSISDBHSA-N 491.614 1.474 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1540900957 OJYLEPQPLDOFLT-UHFFFAOYSA-N 497.625 1.645 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC(=O)NC2CCCCC2)c1 1587697370 PFFJDFBJEIRPCW-UHFFFAOYSA-N 491.596 1.906 30 10 JDEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1587723582 OAACWBVIHBBVGR-UHFFFAOYSA-N 454.531 1.157 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588049132 AQQZLPAEYKJNMB-DENIHFKCSA-N 454.556 1.213 30 10 JDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OC)c(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1588049957 OIWOWUZVDVUTMQ-QGZVFWFLSA-N 460.556 1.856 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1588064109 APGMNRPLIPEMGP-IBGZPJMESA-N 473.599 1.177 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1588074054 IAQPKBZXVXKWQU-CMOCDZPBSA-N 493.674 1.893 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCN(C(C)=O)C1 1588089698 NSQLFWFVLKSGIV-FQEVSTJZSA-N 481.626 1.878 30 10 JDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCOC[C@H]1C 1588433338 OROPALLXOJJHPJ-HSZRJFAPSA-N 465.646 1.823 30 10 JDEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1588994278 UMTDIVFKNVHZED-HNNXBMFYSA-N 478.420 1.969 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1589708987 ZANUVEPXURXLKM-SFHVURJKSA-N 481.667 1.235 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1595496765 GQQUOLQQUBFKBE-UHFFFAOYSA-N 498.565 1.206 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1595812115 NLSQGNGQVHFAGP-AWEZNQCLSA-N 468.605 1.512 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1595824221 YXRPQESTDHRIAC-LJQANCHMSA-N 477.635 1.434 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)c(F)c2)C1=O 1595951437 OGTMKIUBMNHRFN-UHFFFAOYSA-N 455.402 1.288 30 10 JDEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)C1 1598027060 IBXGGBPKKMNWOR-CPJSRVTESA-N 465.602 1.872 30 10 JDEE CNS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1618843491 CKARPLQPTHHKAD-UHFFFAOYSA-N 461.567 1.822 30 10 JDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1618895124 IDWNHZCVRLVCIS-UHFFFAOYSA-N 458.544 1.672 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)CC1 1634876518 SMXSMXXOBVKAEX-FGZHOGPDSA-N 468.598 1.606 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)CC1 1676685699 ZCQKKHPKBBGVDD-OAHLLOKOSA-N 456.952 1.372 30 10 JDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1689933430 NMRVZWOPKFOKOX-UHFFFAOYSA-N 464.570 1.562 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1689991002 UHHHMVACNCCRPY-ZACQAIPSSA-N 456.659 1.647 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccc(CS(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1689996070 DIUQMHCROHNODS-IBGZPJMESA-N 480.612 1.034 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1690023836 IESPSOXAQRNOMA-UHFFFAOYSA-N 451.552 1.363 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1nncn1-c1ccccc1 1690092355 FLUXXHRXIVLYLW-UHFFFAOYSA-N 457.498 1.640 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2nnc3n2CCCCC3)CC1 1690396792 MGGNSOQAHCDWMG-INIZCTEOSA-N 462.624 1.851 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1690508638 MFOHCUFABJAHAN-HZPDHXFCSA-N 465.542 1.846 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](CN2CCOCC2)C1 1690662130 RWNVTTNXAKGGKJ-MRXNPFEDSA-N 492.422 1.507 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2cccs2)C1 1690700918 ZNPAGHQAQUWLNJ-HZPDHXFCSA-N 465.601 1.453 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1690724462 POZRLALTULSXPP-IRXDYDNUSA-N 469.608 1.876 30 10 JDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1696476285 DQMZCCHBPTXTDQ-HXUWFJFHSA-N 469.571 1.662 30 10 JDEE CN(C)CCN1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1696618252 AFLRXSOFDOPJQG-QHCPKHFHSA-N 499.685 1.962 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccs1)N(C)C 1705496077 ZGJMVQQVRYWMJI-GVDBMIGSSA-N 466.633 1.433 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1705559664 AJOYLJCFDFAPLY-SRYPRDQNSA-N 480.631 1.761 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(OCC(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1705560219 IOCQRBJJXCJGGU-QUCCMNQESA-N 487.626 1.934 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1705561538 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C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC 1722413329 LEKSNYROOKOQCO-MRXNPFEDSA-N 455.581 1.481 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1722433070 KNYMTSGYJOMKQG-URXFXBBRSA-N 460.623 1.042 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN(C)C2CCCC2)CC1 1722443931 QKTUNNGVPMYZIX-RUZDIDTESA-N 472.634 1.770 30 10 JDEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722528810 PLKNOBUPZMXZOI-UHFFFAOYSA-N 459.982 1.987 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(Cn2cncn2)CC1 1722693431 NNNPAGQCCVZBSD-UHFFFAOYSA-N 474.367 1.846 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnn(C)c2)CC1 1722739821 XOOATJZAFXETRA-MRXNPFEDSA-N 451.622 1.160 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)[C@H](C)C1 1722794667 UEECMPJSXJGTDQ-HXOBKFHXSA-N 454.531 1.591 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(C[S@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1740625265 MYEPXKBEKMQCQX-KATKFWMUSA-N 497.646 1.817 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740628942 WRQZSLFHZLRHLI-KNKQGSTJSA-N 451.637 1.952 30 10 JDEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740641720 MRMUMQIPLBPQNY-HXUWFJFHSA-N 455.584 1.828 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCCS(C)(=O)=O 1740669379 XUZDZYFDIOXBHR-UHFFFAOYSA-N 456.572 1.866 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)Cc2ccccc2)CC1 1740696354 RNAJRGMGVXYBFP-OAQYLSRUSA-N 456.616 1.067 30 10 JDEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1740711124 HPAAYAFUZDGFFI-SFHVURJKSA-N 475.571 1.289 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NCCCOC)CC1 1740736188 GNQHOEHYNQUSRA-UHFFFAOYSA-N 471.400 1.694 30 10 JDEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)NCCOC)CC1 1740741953 XFHKEALTUMBOII-UHFFFAOYSA-N 493.406 1.747 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)CC)C1 1740751685 NPEXUOBCYBTNSJ-ZMMAXQRCSA-N 468.624 1.365 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1740759892 FOMWKPXCDPOOAV-AQNXPRMDSA-N 473.599 1.897 30 10 JDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1740795132 ONLHTCNASQWVJJ-FCHUYYIVSA-N 462.639 1.606 30 10 JDEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740871485 DTRGQECYQSSKCL-UHFFFAOYSA-N 468.558 1.856 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1740953850 STENQEKSGHWDDG-FYSMJZIKSA-N 487.557 1.657 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1740985424 HTDAKRWLSWPBBE-VJANTYMQSA-N 469.608 1.065 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2OC)CC1 1740991015 MGTGIINXGBSWPS-QGZVFWFLSA-N 474.587 1.165 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)CC1 1740991248 RPJCSBSFWPSFKE-QGZVFWFLSA-N 496.634 1.320 30 10 JDEE CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)O)C[C@@H]2C)CC1 1741038987 HYXYSLQGLQEDBC-AVRDEDQJSA-N 465.602 1.967 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1cccc(Cl)c1 1748670933 FAYUMQIWKKHOQE-KLHJMIIUSA-N 482.006 1.630 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCNC(=O)c1ccc(C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1748817950 TXVYCJWFIVDUFT-RBUKOAKNSA-N 489.573 1.286 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748825497 ZVQHKZXFDGFULB-IBGZPJMESA-N 474.583 1.919 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(c2ccccc2OC)C1 1748825752 DYYFFZQQSWROQK-MOPGFXCFSA-N 470.599 1.496 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1csc([C@@H](C)OC)n1 1748864190 SPARQTDBTSRIBO-HUUCEWRRSA-N 450.590 1.563 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCn2c(O)nc3ccccc32)CC1 1748977127 CYLSYDHKCKHOCC-GOSISDBHSA-N 453.547 1.513 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)c2cccc(C)c2)CC1 1749004339 GMQNVGXQEGTBQL-RBUKOAKNSA-N 486.642 1.966 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1749211482 YTPDIHDVCBAGFZ-IFMALSPDSA-N 487.649 1.486 30 10 JDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1749428103 YPXBCLWCLASMFB-BDXSIMOUSA-N 481.619 1.875 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1749630626 UCGNVWVKSZCHRL-FQEVSTJZSA-N 476.603 1.270 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1749652314 KYUZFSYEUJEMSZ-OAQYLSRUSA-N 477.569 1.606 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1749672608 ZMMSPGXWLVGANB-UHFFFAOYSA-N 457.554 1.894 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1749680646 NIDRPYPQHDKZML-SJORKVTESA-N 454.531 1.415 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1749729840 UHGXRUSTLHFDEL-UHFFFAOYSA-N 489.646 1.019 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCCC2)CC1 1749738083 DQSRSDKJNLDSFH-UHFFFAOYSA-N 461.636 1.805 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C)OC3(CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749740232 SMSIAXXZULMXQS-AUSIDOKSSA-N 498.646 1.694 30 10 JDEE COCCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOC[C@H]1C 1749829998 CTJALYQNTZLABD-QGZVFWFLSA-N 466.546 1.681 30 10 JDEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760133522 GWGJAURXJZQQLM-KRWDZBQOSA-N 459.572 1.990 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1760205863 LMVKCWHKTABXKO-SFTDATJTSA-N 468.579 1.777 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C(C)C)N1CCCC1 1760220280 YMRFATSEZLAULY-SFTDATJTSA-N 476.647 1.194 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2F)C1 1760274039 FSECELMVYRMUEN-MAUKXSAKSA-N 467.592 1.972 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCCN(C)C 1760288433 CFJAJZDIEZUAPQ-WZONZLPQSA-N 474.631 1.869 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1760527517 ZMWTTWWXSPNOIN-HXUWFJFHSA-N 475.615 1.778 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(=O)NC(C)C)C1 1760544991 LFNQPABMIXPBRX-KRWDZBQOSA-N 465.558 1.981 30 10 JDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)CC1 1769150147 CHSDPRCHLUDRAT-UHFFFAOYSA-N 486.598 1.373 30 10 JDEE CS(=O)(=O)C1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)CCC1 1771341805 GHGDIGBCNFZUHM-CYBMUJFWSA-N 469.365 1.732 30 10 JDEE C=CCOC(=O)[C@@H]1O[C@@H](OC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)[C@@H](O)[C@@H](O)[C@H]1O 1848433341 OZBPANSTJDBACD-CKANYXHSSA-N 470.474 1.101 30 10 JDEE CN1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NS(=O)(=O)c2ccccc2C#N)CC1 1858077487 HHMCILPKKGYTLF-NRFANRHFSA-N 451.552 1.703 30 10 JDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCNC(C)=O)=C(N)Oc2c1c(C(F)(F)F)nn2C 1864322614 QKLHWADTNBEYIZ-HNNXBMFYSA-N 479.459 1.951 30 10 JDEE C[C@@](C#N)(NC(=O)Cn1cnc(I)c1I)C1CC1 1962809651 WAOPTOCCBLJIDV-NSHDSACASA-N 470.052 1.901 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCO1 2267142941 ATJRWKPBEVHSEV-ZIAGYGMSSA-N 450.345 1.511 30 10 JDEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CC1 2267193768 KGHAPGBBMMTSIC-UHFFFAOYSA-N 450.320 1.717 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 2267358482 ZABXDTKNJPPDIA-KRWDZBQOSA-N 462.381 1.484 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@]12C[C@H]1CN(Cc1ccccc1)C2 2267372247 LNJPXWYMCLXGOM-JTSKRJEESA-N 458.393 1.272 30 10 JDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267487342 OWTRJFLKTFICIU-HUUCEWRRSA-N 450.345 1.083 30 10 JDEE CCc1nn(C)c(C(=O)N(CCNC(=O)OC(C)(C)C)OC)c1B1OC(C)(C)C(C)(C)O1 2267507052 HXQXMHJZTDBCJX-UHFFFAOYSA-N 452.361 1.810 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@@]1(=O)CC[C@@H](NC(=O)OC(C)(C)C)C1 2267597203 OZGSCXJLFFWQLD-CGRYZCQKSA-N 469.373 1.020 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCO1 2267718380 SNBTYKDHSZGYRU-CQSZACIVSA-N 488.437 1.962 30 10 JDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)n1 2282040306 HUZZQWJSJWBQDG-UHFFFAOYSA-N 461.368 1.791 30 10 JDEE CN(CCCCCNC(=O)OC(C)(C)C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282291883 NLNOTNXRBHBHSB-UHFFFAOYSA-N 487.432 1.430 30 10 JDEE CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282317688 VAZBOYYQNFZVLM-CQSZACIVSA-N 485.416 1.134 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 2282342144 CREPMCIROCDQGS-HUUCEWRRSA-N 484.428 1.834 30 10 JDEE CN(Cc1ccccc1)[C@]1(CNC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCOC1 2282566135 UMCHMRVXHHLQIH-DEOSSOPVSA-N 454.380 1.740 30 10 JDEE Cc1cnc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1 2282644954 PAHVZUZMPPKUCG-NVXWUHKLSA-N 461.368 1.647 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2282835182 QGPYSMVQCQVVNS-QKKBWIMNSA-N 482.412 1.397 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H]2C(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c(O)cc3O)[C@@H]2C1 2282970153 LIOZMUDXCKFSFE-ZIAGYGMSSA-N 460.336 1.992 30 10 JDEE Cc1nc(S(=O)(=O)NC[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2287584922 NBGLTOVPGOWVLP-GJZGRUSLSA-N 484.428 1.609 30 10 JDEE Cc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@]23C(=O)N(C)c2ccccc23)o1 2297744171 ZOCYQXKFKRRVGY-DEOSSOPVSA-N 451.479 1.473 30 10 JDEE COc1cccc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@H](O)COc2cccc(C)c2)c1 2327754135 GLWJFNLINZGPOP-SFHVURJKSA-N 492.536 1.637 30 10 JDEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccc2c(c1)OCCO2 2330748483 UGVAYSVMKDUOKO-UHFFFAOYSA-N 473.540 1.755 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)N1CC[C@@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2332921703 ODWRZWBHDWHMOH-RUDKSBDPSA-N 452.357 1.412 30 10 JDEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)c1O 21319001 MWRZWEHFGHXNDD-LSHDLFTRSA-N 471.499 1.654 30 10 JDEE C=CCN(CC=C)C(=O)Cn1c(=O)/c(=C/c2cc(OC)cc(OC)c2)s/c1=C/C(=O)OCC 33431829 ONUIDBFWTPJXGY-KSEIYIGSSA-N 472.563 1.300 30 10 JDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 521081815 XDYDEWFCFFUUNL-UHFFFAOYSA-N 488.570 1.839 30 10 JDEE CON[N+](=O)CC(=O)N1[C@H](c2ccc(N(C)C)cc2)N(S(=O)(=O)c2ccc(C)cc2)C[C@H]1C 585088956 QHSHZRHHEHHENA-VGOFRKELSA-N 476.579 1.826 30 10 JDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1[C@@H](C)c1ccccc1 729668588 ABPPZJCXYBGMOR-MSOLQXFVSA-N 487.585 1.821 30 10 JDEE C#C[C@@H]1CCCCN1CC(=O)N(CCCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1176832408 BMQXRTWEUHBMDX-LJQANCHMSA-N 453.543 1.437 30 10 JDEE C=CCC1(O)CCN(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)CC1 1197920319 BAZRXSPNNAPVCD-HDICACEKSA-N 451.589 1.826 30 10 JDEE C=CC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 1214654122 YLHDQGWRNMNAAO-KRWDZBQOSA-N 452.577 1.756 30 10 JDEE C#CCn1ccc(CN(CC)C(=O)Nc2ccc(N(C)C(=O)CN3CCN(C)CC3)cc2)n1 1215137402 QBRSUKJHEFMVJE-UHFFFAOYSA-N 451.575 1.781 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2C[C@]2(O)CCO[C@H]2C)c1 1286310128 WZLHVGCDLLYGKR-SSOJOUAXSA-N 482.585 1.793 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(C2OCCO2)c1)[C@H]1CCS(=O)(=O)C1 1286381094 LIPWMVRPMVFLJO-IBGZPJMESA-N 487.582 1.137 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1286385375 XAZZPLPQHBEOMT-HXUWFJFHSA-N 462.535 1.895 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1ccc(C(N)=O)nc1 1286459014 HKEWXWZCBJWREI-UHFFFAOYSA-N 456.510 1.963 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCN2CCOCC2(C)C)CC1 1286473336 QOSXSQQZIRWWSU-UHFFFAOYSA-N 490.450 1.912 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2COCC)CC1 1286485281 IDOPYYXDJGZLDV-UHFFFAOYSA-N 466.586 1.967 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1286507485 ASEDPSPARRCXPR-UHFFFAOYSA-N 454.604 1.500 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1286520180 AFXTZJCYTJBENK-YADHBBJMSA-N 460.556 1.504 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)CN2CCCC2)CC1 1286645388 CEAPTISYRRSYKH-IBGZPJMESA-N 466.652 1.889 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1286780112 BZAPLXVHQWEWDC-STQMWFEESA-N 453.425 1.384 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCNC(=O)[C@H]1CC 1286783973 RTCWTAPYGPNGTL-OAHLLOKOSA-N 465.327 1.864 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1286784286 CEWJQNGCBJNHKT-SFHVURJKSA-N 483.592 1.956 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1286790384 QXXDQZXPVVFHOY-UHFFFAOYSA-N 460.517 1.903 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCS(=O)(=O)CC3CC3)CC2)c1C#N 1290576152 BBMFKXFBZSZSQE-UHFFFAOYSA-N 460.608 1.467 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)CC)c1 1300335021 YJTXEECSYOFOHH-HTAPYJJXSA-N 459.572 1.397 30 10 JDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1300393457 DQSLNTYCSZJODG-QGZVFWFLSA-N 469.575 1.100 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1300410778 QNFWIAXSVAJCAK-HXUWFJFHSA-N 477.587 1.678 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N2CCSCC2)CCCCC1 1300464453 FODLBESGCGLPLZ-IBGZPJMESA-N 496.703 1.432 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(-c2ccccc2)c1 1300671742 OFWKAKYSLVVIMG-LJQANCHMSA-N 454.556 1.500 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCCCS2(=O)=O)CC1 1300703755 SFFFUMLOUZVKRC-FQEVSTJZSA-N 457.600 1.600 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccn(CC)c2=O)CC1 1300732832 PYCWSKWGSIUSIJ-SFTDATJTSA-N 482.585 1.198 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1300733505 WKQWOWRUNMHYDL-UHFFFAOYSA-N 453.572 1.238 30 10 JDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(NC(=O)COC)CC1 1300761343 KYDRSPLMDQOFCX-UHFFFAOYSA-N 498.657 1.550 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@H]1C 1300884886 MNQXEYQORLQUJW-OWYHZJEWSA-N 451.593 1.218 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1300894994 KOVHTIIOKGDZAV-RMMWZPCPSA-N 468.620 1.997 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cccs2)CC1 1301222972 KLKQEZKAMTUNJZ-IBGZPJMESA-N 480.660 1.961 30 10 JDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(=O)(=O)NC(C)C 1301287489 UFCJXSVPJJNEAV-UHFFFAOYSA-N 455.610 1.188 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1301479186 VUWNLDNTLPGVGE-JOCHJYFZSA-N 471.949 1.023 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCCO1 1301496926 KDSLBAIVIARWMJ-QGZVFWFLSA-N 465.558 1.982 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1301576008 PBIUUUXVRDDODP-HNNXBMFYSA-N 493.586 1.239 30 10 JDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(=O)N1CCOCC1 1301601611 RGZXDFNKTZIQGK-UHFFFAOYSA-N 479.628 1.563 30 10 JDEE CCn1c(CN2CCN(c3cnccc3C#N)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 1307806738 FNZRWOAWTNWJEY-UHFFFAOYSA-N 453.572 1.895 30 10 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1.496 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2356120500 MPSAVVLCSZBTMQ-FGTMMUONSA-N 462.352 1.656 30 10 JDEE C=CCNC(=O)CN1CCN(CC2=C(C(=O)OCC)[C@H](c3ccc(Cl)cc3)NC(=O)N2)CC1 22835634 ZRDUFVXDGPFHQW-NRFANRHFSA-N 475.977 1.431 30 10 JDEE C#C[C@@]1(O[C@@H]2O[C@H](C(=O)OC)[C@@H](O)[C@@H](O)[C@H]2O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 575173224 VTSMRTHVUHLPNJ-XDFBVCAOSA-N 486.561 1.618 30 10 JDEE C#CCN(C(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1C)[C@@H]1CCS(=O)(=O)C1 729332668 UGVCSUPTADSOCK-QGZVFWFLSA-N 494.639 1.185 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)c1 1137523199 QSTYGJZHQLAXLR-KRWDZBQOSA-N 457.552 1.872 30 10 JDEE COCC(C)(C)N1CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1142655446 BQLZKPSSYMLJES-SFHVURJKSA-N 450.605 1.709 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1286385687 YXAWQEURHLASQZ-HXUWFJFHSA-N 466.567 1.502 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286387032 MYUAVMCBVUXZKO-IBGZPJMESA-N 458.588 1.079 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1286395723 UEGVMXUQDMLVLQ-RBSBEOHCSA-N 469.032 1.918 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2coc(-c3ccc(C)cc3)n2)CC1 1286470785 CCYRTIZRHVALBH-GOSISDBHSA-N 483.598 1.655 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCOC[C@@H]2C)CC1 1286473286 JZFFBXLPPMJVIP-AZUAARDMSA-N 457.600 1.776 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCN(C)S(=O)(=O)CC)CC1 1286475859 ISPCTFFYMRFLNH-UHFFFAOYSA-N 488.614 1.143 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2c(C)noc2C)CC1 1286487930 RXHLDRMJWHSKNN-UHFFFAOYSA-N 496.593 1.968 30 10 JDEE C=C(Br)Cn1c(N(C)CCNS(C)(=O)=O)nnc1[C@@]1(OC(C)C)CCOC1 1286547533 NCJQLSQPFRRAAF-MRXNPFEDSA-N 466.402 1.213 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1286604752 PBDOTWRPLZFTTA-JOCHJYFZSA-N 459.572 1.800 30 10 JDEE 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458.540 1.877 30 10 JDEE C=CCONC(=O)NCCNS(=O)(=O)c1cc(Br)ccc1Br 1470184644 CVMKETKUINQJGI-UHFFFAOYSA-N 457.144 1.907 30 10 JDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1CCN(C(=O)OC)CC1 1499328574 HRBXHZXEXBZRAC-FQEVSTJZSA-N 481.557 1.922 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1507558925 ZHVLIEYPZUVUAU-IRFCIJBXSA-N 493.678 1.071 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1507589097 UIHAYSDLWYONRR-NZQKXSOJSA-N 473.599 1.776 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)CN1CCN(CC)CC1 1507606518 OOFHJCWZEKEDOR-IBGZPJMESA-N 458.632 1.692 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1507623604 UQHMMINTKXLYTR-RDJZCZTQSA-N 473.534 1.361 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCOC)[C@H]1CCS(=O)(=O)C1 1507637656 LRUXAWLVLJTJEH-IRXDYDNUSA-N 467.592 1.623 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1507640086 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C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1507935291 PBIOFYOSZJUQAD-JYJNAYRXSA-N 455.537 1.081 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(C)(C)OC(C)(C)C1 1508086165 JTJUZDVZYHRBEN-UHFFFAOYSA-N 465.558 1.888 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1508086401 YUVPAPXVBLADMQ-WMZOPIPTSA-N 455.563 1.916 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1508092579 RJTOVMSVTVVCJF-IRXDYDNUSA-N 479.628 1.730 30 10 JDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(OCC(=O)N(C)C)c1 1509637044 DERYUYHEBNSXPY-JOCHJYFZSA-N 457.510 1.374 30 10 JDEE CCc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCCN(CC)S(C)(=O)=O 1513916517 FTKOOBIWVWBGMJ-UHFFFAOYSA-N 476.607 1.576 30 10 JDEE CCN(CCCn1c(C(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1)S(C)(=O)=O 1515706361 AUDVKFXJNHSPHS-UHFFFAOYSA-N 460.608 1.666 30 10 JDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)on2)CC1 1518654418 HKWOMDVJINRXEX-UHFFFAOYSA-N 451.487 1.369 30 10 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452.603 1.946 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(NC(N)=O)cc2)CC1 1588913851 ROVZYDXKMINARE-UHFFFAOYSA-N 458.526 1.845 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1588985511 ULNAELRSGWMDFI-INIZCTEOSA-N 496.634 1.729 30 10 JDEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1589427294 GREMFGKIUVBORZ-INIZCTEOSA-N 474.407 1.962 30 10 JDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1)c1ccccc1 1593775671 BNDQNJYKAQCSOX-UHFFFAOYSA-N 499.597 1.770 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1594733060 MGRWNVXUXJCRRO-DLBZAZTESA-N 463.608 1.975 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCCC[C@@H]2C1 1595884031 GBFPAQONGXCKEA-QZTJIDSGSA-N 470.665 1.205 30 10 JDEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1611359518 BLYFGPDWUDPTHH-MHECFPHRSA-N 499.641 1.637 30 10 JDEE Cc1nnc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)C[C@@H](C)C#N)s1 1612524721 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C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1689982100 HYASUHAXWNDSIG-LJQANCHMSA-N 496.593 1.930 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1689988305 MJPUHEBGYWGQHZ-RDJZCZTQSA-N 461.519 1.052 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1689991653 AZMCCZBNXBQIIY-INIZCTEOSA-N 493.580 1.936 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1689994421 XWVPVUVOBHVVCJ-IBGZPJMESA-N 464.661 1.991 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(F)cc2)CC1 1690150854 XXJXBJMSWXVYHI-UHFFFAOYSA-N 452.534 1.748 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1690152484 MWHTZPICLRNSBA-SANMLTNESA-N 478.597 1.918 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccco2)C1 1690175285 UBPATEYNZBVQCZ-SJLPKXTDSA-N 465.601 1.564 30 10 JDEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1690486229 AWAYJWFKKIQZSQ-UHFFFAOYSA-N 480.573 1.310 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1690632725 NDGBLMVSRWKZCF-IBGZPJMESA-N 460.604 1.682 30 10 JDEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1690632847 UDXWAFDWNVZWBA-SFHVURJKSA-N 462.532 1.670 30 10 JDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1690668013 PKTXIVRJDOEWSG-UHFFFAOYSA-N 499.641 1.989 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1690714175 GUQAQXABTOIAMQ-GOSISDBHSA-N 494.662 1.492 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccsc1 1690715587 ONDPWRVZBUWXFJ-HOCLYGCPSA-N 473.646 1.892 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC1 1690731806 QJRNCSGCIGIFPS-INIZCTEOSA-N 455.581 1.788 30 10 JDEE COC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)OC 1697762321 HSUXGNFIPOPARH-RTWAWAEBSA-N 467.574 1.475 30 10 JDEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)CC1=O 1698075953 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C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(=O)NCC 1705717850 TUROYBHNDPZMKC-MRXNPFEDSA-N 456.613 1.176 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1705725870 WBNYKRBKNFWGJL-UXHICEINSA-N 461.588 1.635 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1705896700 VRECTPOVASEDTB-YZGWKJHDSA-N 488.614 1.359 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)C[C@@H]1C 1705903076 PKJHLAYEVUPTBB-IRXDYDNUSA-N 475.594 1.362 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(CN2CCC(O)CC2)cc1 1706848886 HYUGBEGKKROROF-QZTJIDSGSA-N 489.646 1.632 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)c1ccc(F)cc1 1706889233 DSCXUWNEIVLPJM-PBHICJAKSA-N 450.540 1.734 30 10 JDEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 1710265433 ADYWPFFFPRDCQE-WIYYLYMNSA-N 471.631 1.466 30 10 JDEE CO[C@H](Cc1ccccc1)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 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1722517329 JOKGAOURMFERFM-SFHVURJKSA-N 468.624 1.416 30 10 JDEE C=C(C)COCCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722537892 HFUDZVWVAAVIIP-XMMPIXPASA-N 492.621 1.486 30 10 JDEE C=C(C)Cn1c(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722553428 RFQJVNUEILGEHC-SIKLNZKXSA-N 483.635 1.526 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(=O)C2CC2)CC1 1722617713 LTGDKXWRTSGWIC-GOSISDBHSA-N 466.608 1.026 30 10 JDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)c1ccco1 1722632022 DWEVGIZIMPQYJS-UHFFFAOYSA-N 458.544 1.841 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)nc1)C1CC1 1722651848 ZUIZPZWBCNHJLH-INIZCTEOSA-N 452.968 1.863 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1722685343 FUFSIBLDAFORLZ-GOSISDBHSA-N 466.608 1.026 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1722693391 MFROCXAROAUFSU-MRXNPFEDSA-N 466.546 1.831 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(N3CCCC3=O)c2)C1 1722710656 MJOOSIXAXBGEGV-PXNSSMCTSA-N 488.614 1.845 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC[C@H](CO)O2)C1 1722718399 JXWKLWHXNOUJCF-HAGHYFMRSA-N 493.605 1.908 30 10 JDEE Cc1nc(CCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@@H](C#N)C2)n[nH]1 1725455304 AUTZRBRTMNHZJE-SJORKVTESA-N 471.566 1.791 30 10 JDEE CCN(C)C(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](C#N)C1 1728258976 FWKXJHSZCSQSOU-CQSZACIVSA-N 463.336 1.923 30 10 JDEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1)C(=O)OC(C)(C)C 1729530117 ADZHUIGSXVSWIL-UHFFFAOYSA-N 460.560 1.918 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1740581574 BBWWLUDZPSDJLB-IBGZPJMESA-N 485.570 1.878 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1740618804 KJCASPQGTFQHIV-XLIONFOSSA-N 477.568 1.348 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1740619244 GXPKPXBVEVUUHS-KNQAVFIVSA-N 457.556 1.231 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1740620066 TVZCIYINFAOHLB-AZUAARDMSA-N 494.639 1.646 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCC[C@@H]2C)CC1 1740689831 IXXHGTZEWWOUJB-FQEVSTJZSA-N 450.591 1.945 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1740701695 OOGOVBRGRPSPSA-LJQANCHMSA-N 499.063 1.985 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1740708845 CVARMOCISXXGHZ-LBPRGKRZSA-N 489.549 1.626 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1740887135 CWWWSNBAJLTHCC-FQEVSTJZSA-N 477.635 1.219 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)C(=O)C1 1740950341 GXRFYCLMRNYGGV-MRXNPFEDSA-N 450.540 1.068 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740953438 GLSQSQPAMUNLEA-FQEVSTJZSA-N 497.556 1.031 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N2CCNC2=O)CC1 1740953614 MBTIGVLLRDAIOD-UHFFFAOYSA-N 454.491 1.150 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(F)(F)F)C1 1740958525 CLEWMDPJOBAIIS-INIZCTEOSA-N 491.474 1.745 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3OC)n2CC(=O)N2CCOCC2)C1 1740984691 HUVAIUOMQAKGKZ-SFHVURJKSA-N 457.531 1.506 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2C1 1740987110 PDMZMAIWQCOJIU-HNNXBMFYSA-N 453.590 1.052 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCC=CO1 1741939966 FLZUUYWHIZOHOY-NQIIRXRSSA-N 485.614 1.775 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1748801865 IDOFDNFEBVOTJR-JPYJTQIMSA-N 488.614 1.739 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1748805058 NJWMUZPZVSYEDJ-SJORKVTESA-N 473.534 1.476 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1748816994 BXHSCSCEDYFCBS-IRXDYDNUSA-N 456.634 1.318 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748820433 BPOWNECQKQNRMZ-JTHBVZDNSA-N 485.654 1.801 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(S(C)(=O)=O)CC1 1748829104 UEHKJGRYLKMHQS-UHFFFAOYSA-N 474.612 1.197 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1 1748964410 JUIOZRYJYOKITJ-LJQANCHMSA-N 465.551 1.079 30 10 JDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1749044512 RIDGTEZXDBXHMQ-INIZCTEOSA-N 473.672 1.789 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCO[C@@H]2CCOC2)CC1 1749342721 MQYHLJVRLKFUQA-MOPGFXCFSA-N 469.608 1.209 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)OC)C1 1749402626 PWKBWSURRQJQSN-IRXDYDNUSA-N 455.581 1.357 30 10 JDEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1749416222 WQMCSYIBEJEMQH-UHFFFAOYSA-N 489.382 1.348 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1749650206 NIUMOZSTMUNKLS-KRWDZBQOSA-N 456.522 1.957 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1749676542 UQBRHPVGDIYAHW-INIZCTEOSA-N 451.535 1.141 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1749677537 CAVKVOUITIEVOH-QUCCMNQESA-N 452.559 1.739 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)cc1 1749684451 XABHVRLNQCPNLE-HXUWFJFHSA-N 488.614 1.703 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CCCCC2)C1 1749738675 UPWPKPRVFFUKTK-SFHVURJKSA-N 450.609 1.066 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCc2c(ccnc2N(C)C)C1 1749738824 YLGRCRSKPOYGQZ-UHFFFAOYSA-N 473.603 1.025 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)CC1 1749883631 AIGHXDLLPZTMNS-FQEVSTJZSA-N 492.628 1.674 30 10 JDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1)N(C)C 1751149098 GGRSYUPIGMPGPS-NQIIRXRSSA-N 450.547 1.781 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1760192920 ZQLTXVOKUVWRLP-VWPQPMDRSA-N 488.610 1.578 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1760205911 MTNLFKVNSIPLLN-MSOLQXFVSA-N 463.604 1.899 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCS(C)(=O)=O 1760220211 XOTQTJSZBXAFQU-GOSISDBHSA-N 479.603 1.484 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](OC)C(C)C)CC1 1760266246 UCXBRYGPHYIHRO-YKSBVNFPSA-N 461.607 1.956 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](CC(C)C)N(C)C)CC1 1760269862 QCAQFPUWNFFWRH-VQTJNVASSA-N 478.663 1.122 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1760373724 AVRWBUWPFJLHBV-MSOLQXFVSA-N 457.044 1.537 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[C@H]2N2CCCS2(=O)=O)CC1 1760382237 MCKWTXPTXBTWNW-OKZBNKHCSA-N 486.664 1.249 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2nnc(C)s2)CC1 1760389572 NRDOBRFIUFNDLJ-MRXNPFEDSA-N 467.621 1.560 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1cc(C)oc1C 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JDEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2CCOC[C@H]2C1 1359050783 CGDPGGZAUYPPSD-GOSISDBHSA-N 473.599 1.858 30 10 JDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359089756 OMKAVMHXQTUGAT-YOEHRIQHSA-N 480.367 1.497 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1359118348 CVOBWBBGBUWKHA-GOSISDBHSA-N 482.632 1.290 30 10 JDEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359128136 LAKDSDARSDFWDR-UHFFFAOYSA-N 485.545 1.619 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@](C)(OC)CC1 1359295780 NTFUGLHMKBKJMA-JOCHJYFZSA-N 451.535 1.618 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1359300480 CPBZDSKRKCEOSW-KZNAEPCWSA-N 480.635 1.004 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359304671 FUUMVADBIXFABU-HSZRJFAPSA-N 454.531 1.417 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1359324305 IFVZXBIZTYHAGT-OALUTQOASA-N 463.608 1.203 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1359326795 JYMWRVWBVDFDOC-JENIJYKNSA-N 497.643 1.456 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@]3(CCCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1359335519 NMAJDGVCODBWQR-NHCUHLMSSA-N 454.593 1.538 30 10 JDEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCS(C)(=O)=O)C[C@H]2C)CC1 1359380254 IDMQTDDIMVTBJX-XMSQKQJNSA-N 499.641 1.240 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCC(F)(F)C3)n2CCN2CCCS2(=O)=O)cc1 1505317879 CUIJOQUUDGBFQX-UHFFFAOYSA-N 452.487 1.610 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCCC2)c1 1507550643 NSWBOJXEMNWPSI-LJQANCHMSA-N 470.599 1.332 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1507574807 CFIZDEWMUFWKAH-LJQANCHMSA-N 472.615 1.913 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1507626548 OEIIGYLSHZITFX-LAUBAEHRSA-N 479.628 1.759 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1507629922 QUJSBWSHRYZYGQ-GOSISDBHSA-N 450.528 1.113 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507631093 BFSOPNNQPDNEGJ-PZJWPPBQSA-N 457.600 1.935 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1507634679 LHJRLHTZQQHVSK-IBGZPJMESA-N 452.540 1.343 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507637375 APDGJRWSHJCTHP-GOSISDBHSA-N 457.556 1.106 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507640827 WQKSUXQYRHSRMX-CTNGQTDRSA-N 499.637 1.961 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)nc1 1507711507 VWICKBGRRYGBJZ-LJQANCHMSA-N 499.572 1.215 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1507720824 XBXAYTIRLXJFCC-RBUKOAKNSA-N 490.605 1.736 30 10 JDEE C=C(Br)Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1507791876 BFPDSZQDXJAJLD-IBGZPJMESA-N 471.400 1.049 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1508137324 ZNWURNGWYPCIBJ-QUCCMNQESA-N 494.639 1.955 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1508149490 WDNXSFFQAMLKGW-KNQAVFIVSA-N 478.619 1.096 30 10 JDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539201056 VCXVMDPVVRXGAF-ZACQAIPSSA-N 466.608 1.400 30 10 JDEE C#CCN(c1nnc(C(C)C)n1Cc1cccnc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539203770 UZZNRUJXUAFPOO-IBGZPJMESA-N 458.588 1.308 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539206458 PJGYSNFRZBTRAE-YVWKXTFCSA-N 492.623 1.400 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1539222672 XAUIYJUBLFMZHU-QAPCUYQASA-N 463.510 1.377 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1539229617 FLWZRXDQRDQGND-AYLZSAKASA-N 490.651 1.828 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN1CCCCCC1=O)[C@H]1CCS(=O)(=O)C1 1539231341 REALMBVELACWNZ-RBUKOAKNSA-N 463.604 1.549 30 10 JDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1539260730 UCXHBWAMAYYQRQ-LJQANCHMSA-N 465.558 1.021 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CCCCC1 1539369970 QQODPMBLDYYWFE-RXVVDRJESA-N 453.609 1.402 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1539427303 ABZKBLJEIWVAJE-UHFFFAOYSA-N 462.533 1.934 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1540036479 NPRUCWZBMSDURZ-QZTJIDSGSA-N 491.618 1.171 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)c2ccccc2C1 1540037795 SMGDNNXOVLXMQP-OAQYLSRUSA-N 490.630 1.660 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1540871207 GTBYTEPSHPJFSO-HTAPYJJXSA-N 459.572 1.234 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2CC2(O)CCS(=O)(=O)CC2)C1 1540894394 XFQPSDBQDOJRRU-IBGZPJMESA-N 476.599 1.599 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1540902175 CEAJUEAHUCWDMU-UHFFFAOYSA-N 457.556 1.879 30 10 JDEE COc1ccccc1-c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)NCC(F)F 1555054015 FTVAFELCFLPWJT-UHFFFAOYSA-N 482.495 1.928 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(CC(F)(F)F)CC1 1587562435 PDPSQTLLMGFZEI-UONOGXRCSA-N 450.531 1.621 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1587861990 RONMXHHRWSKCEZ-IBGZPJMESA-N 493.586 1.818 30 10 JDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(N2CCO[C@H](C)C2)nc1)[C@@H]1CCS(=O)(=O)C1 1588030482 WEQYSUWMCFKGJW-UYAOXDASSA-N 472.615 1.697 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCS(=O)(=O)C(C)(C)C 1588280673 QAXXQPOMDZBXSJ-UHFFFAOYSA-N 481.644 1.868 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1588645693 BBIFCHCAJGBFJY-ZWKOTPCHSA-N 483.635 1.816 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1588864682 IYNAPXWEJCWZCF-BGYRXZFFSA-N 457.623 1.044 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1588954943 MZPOQOVJBISHCE-CTNGQTDRSA-N 452.559 1.281 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1588961770 LNCKTZZUAZUMSG-LJQANCHMSA-N 496.593 1.129 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2COCCO2)CC1 1588969177 WLRTVNIASCZMOX-GOSISDBHSA-N 457.506 1.377 30 10 JDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCN(C(C)=O)CC2)CC1 1594182223 VDOKMKXNLFFSRZ-UHFFFAOYSA-N 452.563 1.492 30 10 JDEE C=CCNC(=O)Cn1c(N2C[C@H](CC)[C@@H](N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1595595151 SUGOYEGXARNQPS-SKPFHBQLSA-N 476.622 1.168 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1595752909 DISUGJGUDHRRNE-UXHICEINSA-N 468.583 1.858 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1595785286 VNMDTSXLUNSNQH-UHFFFAOYSA-N 458.519 1.866 30 10 JDEE Cc1ccc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CC(=O)NCC(F)F)o1 1612041628 FOLXRXCNTRGHOX-UHFFFAOYSA-N 456.457 1.821 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCC(CO)CC3)n2C[C@H]2CCCCS2(=O)=O)cc1 1620351643 DJLHXMUMTLDSPH-HXUWFJFHSA-N 459.572 1.905 30 10 JDEE CN1CCc2ccc(NC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2C1=O 1623200958 GYAHYWHGFUELCE-UHFFFAOYSA-N 453.524 1.725 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)NC(C)C 1690048074 BGEYDSZWRSXZOV-HXUWFJFHSA-N 457.556 1.581 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2C[C@]2(O)CCSC2)n1 1690109476 SQDNJIDCZDLZRG-DENIHFKCSA-N 460.604 1.870 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(OC)cc2OC)CC1 1690137991 OKDIQZAMBWXQRH-SANMLTNESA-N 497.596 1.962 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(O)CCSC2)CC1 1690152732 WIRBUPJUEHEIHD-DEOSSOPVSA-N 485.610 1.700 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1690274721 BLOVOZNLHDKPQQ-QGZVFWFLSA-N 482.632 1.284 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1690668134 UNGUDMMXVVOTBB-UHFFFAOYSA-N 476.585 1.024 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1690668203 WKPCLSKUJYHFQW-UHFFFAOYSA-N 469.571 1.227 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1690714412 MFFROECCTCMIHG-SFHVURJKSA-N 489.598 1.781 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1690714654 QVFWLEDJCZNPLM-QUCCMNQESA-N 491.614 1.988 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CCSC2)c1 1705507980 OBVUTAVWCCJHGO-XZOYJPPVSA-N 485.610 1.926 30 10 JDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705532433 NNSHNDLAFCHLCI-RTBURBONSA-N 453.547 1.226 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1705564542 BRZXIZKRNKOKQQ-GOSISDBHSA-N 470.555 1.371 30 10 JDEE C#CCN(c1nnc(CC)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705570735 QIMAADLLHJJWHP-SJORKVTESA-N 453.609 1.970 30 10 JDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(C)(C)C(=O)NCC)CC1 1705641323 ALKMLWRERYTELS-UHFFFAOYSA-N 452.603 1.989 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@]2(O)CCOC2)CC1 1705645019 ITXGNAIHZPHVLX-SIBVEZHUSA-N 497.596 1.934 30 10 JDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705901795 WUOKEYKPMUBACM-NQIIRXRSSA-N 457.623 1.617 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1705905088 JJPREBSNDOXKQD-KRWDZBQOSA-N 475.532 1.687 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1705907683 UDXWFDNEGACNOL-DEOSSOPVSA-N 465.558 1.687 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCC[C@H]21 1705931475 QSRQWOMJMXYGIY-SJLPKXTDSA-N 450.586 1.938 30 10 JDEE CC(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCn1cc(CO)nn1 1706314547 BIYLKXHMIZBFNC-UHFFFAOYSA-N 453.526 1.913 30 10 JDEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 1710265430 ADYWPFFFPRDCQE-GHTZIAJQSA-N 471.631 1.466 30 10 JDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1711409593 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C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1722690064 DVFVSLQKFWKIPL-QFIPXVFZSA-N 474.949 1.159 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)c2cccc(OC)c2)C1 1722712335 QJDWZAOMDRQXFF-FQEVSTJZSA-N 451.531 1.899 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(O)CCOCC2)C1 1722715407 PUJGKONZXKVZKZ-LJQANCHMSA-N 491.614 1.518 30 10 JDEE CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCCC2)CC1 1731012492 HUEBWUFQWYUMSQ-UHFFFAOYSA-N 473.603 1.296 30 10 JDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740577687 MHYGRUHLNCAEOQ-OAQYLSRUSA-N 452.607 1.686 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1740617985 ZVAOQXNULGWBAH-JKSUJKDBSA-N 463.535 1.320 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1cccnc1-n1cccn1)[C@H]1CCS(=O)(=O)C1 1740625121 DDDRJQRWAURRAD-IBGZPJMESA-N 453.572 1.732 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(O)CCS(=O)(=O)CC1 1740656898 OKLKPUBETFBCMP-FQEVSTJZSA-N 470.551 1.193 30 10 JDEE 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CCOCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cnn(CCOC)c3)n2)s1 1084156114 BSFKIGVTGGTNQV-UHFFFAOYSA-N 498.620 1.762 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1286390751 BWEONVHDLKJFKI-RTBURBONSA-N 458.588 1.308 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1286396524 QGZNVBBTKQZPIV-SFHVURJKSA-N 473.628 1.834 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC)Cc1cnn(C)c1 1286546112 GICLGPSHTRXWJJ-JQHSSLGASA-N 451.597 1.630 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1286646926 XQYYQFQAAPROBW-FQEVSTJZSA-N 488.614 1.565 30 10 JDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286835741 BJFKSLLYCJISFR-ROUUACIJSA-N 480.635 1.095 30 10 JDEE CCN(CC(=O)Nc1ccccc1OC)C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1290591977 GLCGNDTZERBNTM-HNNXBMFYSA-N 458.540 2.000 30 10 JDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCCCC1 1293241927 GLMGPDPXFCXBNU-HXUWFJFHSA-N 465.558 1.846 30 10 JDEE C#CCN1CCCN(C(=O)c2cc(S(=O)(=O)N3CCN(CC)CC3)ccc2Cl)CC1 1293713383 WHNKWBUPOFUFGS-UHFFFAOYSA-N 453.008 1.447 30 10 JDEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)CC1 1295482119 DINXVYNWCYPWRR-UHFFFAOYSA-N 494.644 1.529 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2ccccc12 1300311286 RMQMLUUCKWXTQC-OXJNMPFZSA-N 456.572 1.793 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1F 1300672066 UWCGRZOZVQPGCO-SFHVURJKSA-N 483.541 1.218 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2CC2(O)CCCCC2)n1 1300680723 CYRDQSMATJVCDF-IBGZPJMESA-N 455.563 1.407 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nc3cc(Cl)ccc3s2)CC1 1300684286 ZGSUKFMMXVKZDB-AWEZNQCLSA-N 494.046 1.955 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(C(N)=O)CCOCC2)CC1 1300691273 RYMSJWZGIBSISX-UHFFFAOYSA-N 472.977 1.644 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)C(=O)NCC)CC1 1300730563 AOIFNVRANZUVCE-UHFFFAOYSA-N 491.596 1.857 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@](C)=O)CCC1 1300916183 UINGULFXLLISHA-OFJJUDJNSA-N 459.638 1.315 30 10 JDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1300971954 CRAQFNGRORHCGY-QGZVFWFLSA-N 466.583 1.739 30 10 JDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1301251815 IOVXDSAZRWWUAL-UHFFFAOYSA-N 451.531 1.453 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCOCC1 1301410228 AMMRUFIJXHGRDU-KRWDZBQOSA-N 477.587 1.290 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1c1nncn1C 1301479133 UNUWFQVREFJKEQ-GOSISDBHSA-N 463.546 1.919 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1301509294 FSGGAZWQEZWCKB-LJQANCHMSA-N 487.568 1.579 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(NC(=O)c3ccoc3C)CC2)nnc1[C@]1(OCC)CCOC1 1301519595 PVMDLSOXFNVWKS-DEOSSOPVSA-N 486.573 1.533 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](CC)O[C@H](C)C1 1301586135 QFKSKPLNQPUNDY-CABCVRRESA-N 451.549 1.610 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCC(F)(F)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1302993575 DZYSNEWMIYCNCH-LJQANCHMSA-N 467.498 1.514 30 10 JDEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C[C@@H]1C 1313864583 GHTWDZXKZVRGSH-OALUTQOASA-N 451.575 1.985 30 10 JDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCCS1(=O)=O 1315653115 COAKWKDGIZFMOC-DLBZAZTESA-N 461.544 1.562 30 10 JDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)N1CCN(CC)CC1 1358945924 ADKPPISSTUCJCN-LJQANCHMSA-N 462.602 1.770 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCC(F)(F)F 1358969691 UQDXHRMIKPDRNI-CQSZACIVSA-N 470.477 1.346 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccc(F)cc2)CCOCC1 1358969903 ZMYNXFBCZJWXIX-GOSISDBHSA-N 473.574 1.849 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(O)CCN(C)C1 1359021136 CPIDYIUSMOPDSX-HXUWFJFHSA-N 466.355 1.999 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1359038346 STGGMRKPUBXWAL-GOSISDBHSA-N 459.595 1.459 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C(N)=O)nc2)CC1 1359039681 RIBOKYDNSPURFX-UYAOXDASSA-N 451.575 1.494 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1359044541 IOQDDYACOCWTSO-YZGWKJHDSA-N 456.591 1.790 30 10 JDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(S(C)(=O)=O)CC1 1359120731 XEEMIFUUBSEBTO-UHFFFAOYSA-N 452.606 1.828 30 10 JDEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCNC(=O)CC1 1359131263 NNWLJLXSBBVMCB-UHFFFAOYSA-N 451.531 1.594 30 10 JDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359210333 QHPYQIBPCCEAMX-SFHVURJKSA-N 467.617 1.785 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1359294398 SDBPAROIMPYTRQ-IBGZPJMESA-N 454.575 1.805 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1359301227 VDUHPFGRNZVXCU-SFHVURJKSA-N 474.993 1.939 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H]3CCNC(=O)[C@H]3C2)cc1 1359306958 WKRVOQUXEQHHAR-POAQFYNOSA-N 488.614 1.464 30 10 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450.613 1.693 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)N1CCCC1 1507820664 JYJITRLAJGXPFD-MOPGFXCFSA-N 454.641 1.888 30 10 JDEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1507960901 YNKQAIWXLTWRHA-UHFFFAOYSA-N 468.558 1.045 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(OCC(F)(F)F)nc1 1510188875 DIWNAMGEMGFSSU-PXAZEXFGSA-N 491.471 1.715 30 10 JDEE C[C@@H]1CCCN(C(C)(C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)C1 1512180735 CQFYKPGXSOBQBF-GUDVDZBRSA-N 481.667 1.860 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@H]2c2c(C)nn(-c3ccccc3)c2C)C1=O 1536780314 CSHDGSAYVKWVMC-SFHVURJKSA-N 451.483 1.366 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1539226043 TWAYGRIUAUPJBV-BCOMRZATSA-N 467.642 1.172 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccc(-n2nc(C)cc2C)nc1)[C@H]1CCS(=O)(=O)C1 1539230407 HFYOJVXLOSUZIC-FQEVSTJZSA-N 483.598 1.687 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)CN1CCOCC1 1539350499 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OCMBPZKRUPFWNB-UHFFFAOYSA-N 461.614 1.630 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccn(CC)c2=O)CC1 1588885881 ZYRIXWHTWKJVOM-UHFFFAOYSA-N 481.601 1.392 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1595475813 GFVRPWPSGXFXDJ-OWJWWREXSA-N 499.547 1.674 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1595562414 YAZFRCLQZRXCCO-SBUREZEXSA-N 453.547 1.670 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1595607300 DKXANQSCALPIER-UPVQGACJSA-N 493.612 1.888 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Cl)nc2C1 1595760543 PLVVYFGKMKEFMJ-CYBMUJFWSA-N 489.023 1.100 30 10 JDEE COc1cc(OC)cc(N2C[C@H](C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2=O)c1 1624813290 FOCZTLPTYMAHSI-ZRGWGRIASA-N 458.515 1.932 30 10 JDEE C=C(C)CN1CCC(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 1632863352 XBZWIDKOLCHMLD-BHIYHBOVSA-N 455.621 1.813 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCN1c2ccccc2C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689978028 KAJNWFRTVBXTMT-UYAOXDASSA-N 484.626 1.494 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1689981894 CZNPZPPHRFXQJL-KNQAVFIVSA-N 455.540 1.249 30 10 JDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1ccc(C)c(F)c1 1690015151 BKWVORXBUNQKAR-UHFFFAOYSA-N 462.485 1.956 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1690043971 UXSASGURDSEMGO-GGAORHGYSA-N 459.598 1.903 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1690102484 LUPLCVKSGHRZDE-QGZVFWFLSA-N 458.567 1.655 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1690206354 OJXPVTSYKBPROD-LLGFUMIMSA-N 471.574 1.528 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCC2CC2)C1 1690484866 GCEKKRIINRYZEM-OALUTQOASA-N 453.609 1.973 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1690644512 PXDCVPMZBUMJCJ-MRXNPFEDSA-N 455.972 1.488 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1690644517 PZSPHDKHOFEBPD-VQTJNVASSA-N 479.578 1.886 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CC(=O)N(C)C)CC1 1690720642 ORXKMARJSONSOJ-UHFFFAOYSA-N 489.598 1.969 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2cnn(CC)c2)CC1 1690723460 SFLDPPWFUIFUTP-GOSISDBHSA-N 461.592 1.430 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1690729228 JMOJTIVMEKLLEX-QGZVFWFLSA-N 489.568 1.813 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1690731118 ADLBLIYNGZSZDH-HUUCEWRRSA-N 451.515 1.803 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCOCC3(CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690731375 JNUAIQUMPVNCRY-OAQYLSRUSA-N 454.593 1.536 30 10 JDEE CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)CCO1 1692602584 AOBUWHPORAWAEJ-FQEVSTJZSA-N 461.526 1.989 30 10 JDEE CN(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)c1ccco1 1696601296 DGPIJHGVCQDJEL-IBGZPJMESA-N 470.555 1.859 30 10 JDEE COCCN1C[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)CC1=O 1698078499 GZLDEUIUHKUPID-HXUWFJFHSA-N 480.617 1.955 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@H](N2CCOCC2)C(F)(F)F)cc1 1698488452 CZWNWZPQIDJWPV-AEFFLSMTSA-N 493.490 1.303 30 10 JDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705520278 OFJBDDDIGLQZAF-UHFFFAOYSA-N 469.571 1.594 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1705551548 OFWHGIWAFPSCOY-HXUWFJFHSA-N 498.565 1.574 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1705566959 SLCRMBOGDISJRP-FOIQADDNSA-N 458.569 1.331 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCC(O)CC1 1705626444 XCSCHFGIRVDPDT-UHFFFAOYSA-N 463.586 1.770 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H](OC)C(CC)CC)CC1 1705639397 NEZWFAKENJQEEK-UXHICEINSA-N 451.637 1.777 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2c(C)cccc2C)CC1 1705647805 LSFLPBJHFQQYPZ-FQEVSTJZSA-N 464.570 1.891 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@@H](COC)OC)CC1 1705650065 KKHJKWAOQLEZHE-FQEVSTJZSA-N 464.570 1.977 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1705735602 BIQJCXYYFCHQTP-IRXDYDNUSA-N 457.531 1.893 30 10 JDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705829512 UAWLGISPRWCMRY-KRWDZBQOSA-N 486.598 1.798 30 10 JDEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCCS1(=O)=O)C1CC1 1705849980 BMSJXTPAACOTRG-UHFFFAOYSA-N 494.643 1.386 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1705891106 ZWDMXMYYCIXDOD-WMZOPIPTSA-N 451.549 1.878 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](COCC)C1 1705900920 UJCZZTQDXBKKCD-KRWDZBQOSA-N 475.619 1.793 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)Cc3ccccc3C)CC2)nnc1[C@]1(OCC)CCOC1 1705909235 QVUXEHRNCHDVDE-SANMLTNESA-N 496.612 1.432 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705932332 BRVPGHOYRSFRPB-FQEVSTJZSA-N 473.599 1.682 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1722352210 MZOHHHFNRFTRAH-CEXWTWQISA-N 466.652 1.437 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CC(F)(F)C1(OC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722361728 OTMHDFUMFRAQFB-QGZVFWFLSA-N 495.552 1.798 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC(F)(F)Br)[C@@H]1CCS(=O)(=O)C1 1722363844 HHKKKWLIPKKHRC-QWHCGFSZSA-N 485.351 1.617 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1722365932 QAKWNAAJOTVQBY-JKSUJKDBSA-N 484.575 1.229 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(C(=O)NCC)c1)[C@H]1CCS(=O)(=O)C1 1722368030 OUMXOGXSLQHQJV-FQEVSTJZSA-N 455.584 1.970 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCCS1(=O)=O 1722376266 ZJFZPTFVPQCBPH-LJQANCHMSA-N 460.581 1.389 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCNC(=O)C(C)C)CC1 1722437401 MLHGPODVNAGGOE-LJQANCHMSA-N 489.621 1.114 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1722697337 ZVWBJSSQAFMZBS-UHFFFAOYSA-N 481.582 1.462 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3C[C@](C)(O)CCC(C)C)CC2)c1C#N 1725866744 FBALUYUTYVCUCW-NTKDMRAZSA-N 483.621 1.657 30 10 JDEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1729306325 HJXPFNDSBMWAAU-UHFFFAOYSA-N 475.557 1.714 30 10 JDEE CNC(=O)C(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1729615144 HNJIESNOYPKKSN-UHFFFAOYSA-N 459.558 1.629 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CN(C)C(C)C 1740552720 OXXWQLXLJMHAJI-SIKLNZKXSA-N 488.658 1.957 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCN2CCOC[C@H]2C)c1 1740564480 OJVDPYATDODYGH-TZIWHRDSSA-N 466.586 1.949 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1740619422 IQRJHFLUZJMWNW-WMZOPIPTSA-N 487.582 1.605 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1740629470 OSBWCXPJRJOAIT-VJANTYMQSA-N 450.561 1.322 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCNC(=O)c2ccco2)CC1 1740693411 XSTCEUVJTZFJQY-UHFFFAOYSA-N 472.347 1.814 30 10 JDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N1CCOCC1 1740900765 YBLYMTCAKWROBE-KRWDZBQOSA-N 464.567 1.458 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(-n3cncn3)c2)C1 1740973182 SEHZUMQZZVXXLD-LPHOPBHVSA-N 472.575 1.299 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(N2CCCNC2=O)CC1 1740989840 YYEFUQIGPAQIML-UHFFFAOYSA-N 459.576 1.325 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(C)=O)CC1 1740992524 HTXNEJXNJQBFDN-UHFFFAOYSA-N 453.515 1.416 30 10 JDEE CC[C@@H](C)[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1743471997 AJXCDGLOSHPGGT-MZNJEOGPSA-N 483.621 1.551 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccoc2)c1 1748692623 KCMWIIIBOGKJNU-SFHVURJKSA-N 453.524 1.878 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1748790023 DFLNZKQBKANTRS-DLBZAZTESA-N 451.593 1.897 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCC(=O)NCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748816948 BJODAOMGKUBGBJ-RTWAWAEBSA-N 485.610 1.505 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1nccs1 1748831728 WCGKVYUQNLENSD-UHFFFAOYSA-N 454.581 1.967 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(S(C)(=O)=O)CCC1 1748840432 AFASVKSRJDRJLS-UHFFFAOYSA-N 474.612 1.278 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1749006815 XZZUWSDBOZOLKM-NRFANRHFSA-N 492.624 1.968 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](CC)N2CCCC2)CC1 1749015988 VPONGUBYKSRLQO-JOCHJYFZSA-N 466.634 1.980 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1749020422 SGQRAKWRNXVVNK-UHFFFAOYSA-N 479.614 1.738 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1749303282 HCUNYAYUDMQKCP-CVEARBPZSA-N 463.526 1.600 30 10 JDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(C)=O)C1 1749454953 NKTDYWQEPNRRHL-SFHVURJKSA-N 465.558 1.890 30 10 JDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1749652577 PGUULZFQEIMXLY-JOCHJYFZSA-N 479.629 1.867 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749660010 MBGFEXQFTPFQLM-XMMPIXPASA-N 497.556 1.079 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1749677706 IIUZERVQEGEKAY-UHFFFAOYSA-N 463.542 1.480 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749721504 MILPAQBOHYRRDX-GOSISDBHSA-N 495.627 1.371 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1749736121 DLWXHDJEBYVNGT-OAHLLOKOSA-N 451.980 1.790 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1749738854 ZDROSCXOIQOFGU-HSZRJFAPSA-N 473.599 1.791 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC(=O)NCC1CC1 1750972021 HHFSAYFEYQPRQM-IBGZPJMESA-N 451.531 1.392 30 10 JDEE C[C@H]1CCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1752103004 CVPUDWZYULTPIX-DFBJGRDBSA-N 481.601 1.490 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1760183061 LRJXEMKIEAEXBN-MHTXLSKPSA-N 468.004 1.531 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1760205860 LMVKCWHKTABXKO-LEWJYISDSA-N 468.579 1.777 30 10 JDEE C#CCN1CCN(c2nnc(COCC)n2Cc2cccc(NC(=O)[C@H]3CCCO3)c2)CC1 1760263659 KEKSFFJUBKKRKX-OAQYLSRUSA-N 452.559 1.736 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2CCOC2=O)CC1 1760269655 ASUZFHPNRLWFJO-UHFFFAOYSA-N 468.533 1.816 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1760279465 ADIRPOFOIIGRER-HXUWFJFHSA-N 459.664 1.590 30 10 JDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1760281332 MLJGFEHDVVJTLD-KRWDZBQOSA-N 496.684 1.814 30 10 JDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760281499 NMEYEOZVOVDBCM-GOSISDBHSA-N 475.644 1.442 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1760312665 BZBMLRBLXPMDOA-IEBWSBKVSA-N 482.651 1.696 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1760549077 WEZKKEAHMDUUNN-QGZVFWFLSA-N 478.594 1.871 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1760551973 YBRZMOWKFDQMRY-QGZVFWFLSA-N 487.586 1.845 30 10 JDEE COc1cccc(C2(Cn3c([C@H](C)NS(C)(=O)=O)nnc3N3CCO[C@H](C#N)C3)CC2)c1 1770312400 GXQLGMDXQRQDSW-MAUKXSAKSA-N 460.560 1.357 30 10 JDEE CO[C@@H]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1770579882 FVJNPKPCASLHRC-YTQUADARSA-N 488.618 1.297 30 10 JDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(O)c(OCC)c1 1865728766 INXNIZQIZGUOPB-QGZVFWFLSA-N 468.510 1.084 30 10 JDEE Cc1ccc([C@H](C#N)NC(=O)[C@H](CO)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 1867783739 KLQNXOQKADJSSR-OALUTQOASA-N 451.483 1.975 30 10 JDEE C=CCn1cc(OCC(=O)N[C@@H](C)c2ccccc2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870415136 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1.861 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCS(=O)(=O)C2)c1 1358902177 GWCRYGSBLMPOKZ-IEBWSBKVSA-N 484.582 1.110 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1358965224 QJROHILJWFAGGL-INIZCTEOSA-N 450.362 1.799 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358965590 XNJFXXHDLUVMPZ-XLIONFOSSA-N 492.671 1.229 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358965769 AYLLSWAKNWLOLT-NHCUHLMSSA-N 487.674 1.887 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(CN2CCC(O)CC2)cc1 1358984435 VDQXQXUTLMTMQY-UHFFFAOYSA-N 462.598 1.884 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc2n1CCC2 1358994457 NSMUFAIQLZEYMO-SFHVURJKSA-N 480.573 1.635 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCCS(C)(=O)=O)CC1 1359046329 NRYOAIMUBZYPJY-UHFFFAOYSA-N 482.610 1.751 30 10 JDEE C#CCSCCn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1359061422 BIUQANHHAZQNKL-HSZRJFAPSA-N 470.599 1.654 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CSCCS2)CC1 1359178976 IFEFGSTZURYKEK-IRXDYDNUSA-N 473.690 1.862 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1359228130 URBYZXJTISRUQD-RBUKOAKNSA-N 485.651 1.988 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Oc2ncccc2F)CC1 1359291523 UKJRGZRQMQTBMM-UHFFFAOYSA-N 480.504 1.810 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1359300202 WITHGBUOZUXNDF-FQEVSTJZSA-N 467.574 1.583 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1359300683 ILPJUZCIYIKJHA-QYZOEREBSA-N 490.605 1.894 30 10 JDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1359303253 IPUHSPJXNFEHKS-SFHVURJKSA-N 450.609 1.364 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1359331346 WFBVZYDCDNRQAP-NRFANRHFSA-N 458.519 1.573 30 10 JDEE COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 1475201318 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C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSc1ccc(C)cc1 1507653940 TZKVWUHKHYFFKT-FQEVSTJZSA-N 473.624 1.785 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COc2ccccc21 1507672137 VBAVSJZXTDJRDP-NQIIRXRSSA-N 469.567 1.250 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(CC(C)C)C1 1507710918 MILZGXRLWYKSJW-WOJBJXKFSA-N 451.637 1.634 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2CCN(C(=O)OC)CC2)CC1 1507717130 YNRJLHONEVYZJP-UHFFFAOYSA-N 466.546 1.159 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2c(CC)nn(C)c2OC)CC1 1507738323 NECPNXMZSZWXPT-UHFFFAOYSA-N 476.585 1.967 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1507917134 YSFYBIUFKAXRPH-PKOBYXMFSA-N 494.662 1.708 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CN2CCOCC2)CC1 1508072207 CMTNBAMVUOFAJQ-UHFFFAOYSA-N 459.982 1.844 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1508072931 UHWVTWQPJYFDEE-ROUUACIJSA-N 453.547 1.871 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1508082309 RYLLNNVBMUOCAM-UHFFFAOYSA-N 466.590 1.213 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1508093313 UPYCCMHBKWWSAB-QGZVFWFLSA-N 471.631 1.882 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCCCCC2)C1 1508125430 OXDCRJNVYPJVNA-RTBURBONSA-N 465.620 1.754 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2ccnn2C)C1 1508163009 SXOJRCQFENGLCH-PKOBYXMFSA-N 495.675 1.648 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCO[C@H]1C 1519129582 ATGZEEQOBJKGDB-AVRWGWEMSA-N 491.552 1.990 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCO[C@H]2C)c1 1539045191 AOZIKMPJQCTBEX-BVZFJXPGSA-N 460.538 1.860 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1c(CC)nn(C)c1OC)[C@H]1CCS(=O)(=O)C1 1539211731 KOSKAWKXOMNHLY-IBGZPJMESA-N 493.593 1.796 30 10 JDEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCOCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1539216665 VHAYQSBDSGTXKI-LJQANCHMSA-N 484.626 1.642 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1539225414 NPSXUBJRRWGPMW-SFTDATJTSA-N 456.616 1.765 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1539231342 VBIBJEHSIQBVCK-LJQANCHMSA-N 473.599 1.579 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@@](=O)CC 1539325159 CUBGYNFIRGIYFJ-CVCYQNGTSA-N 463.604 1.818 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC[C@H]2COCCO2)CC1 1539462311 SLIOBBVRYKZJTH-FQEVSTJZSA-N 455.559 1.817 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)CC1 1539466737 FKEKEPPXHRLQDJ-PMACEKPBSA-N 484.624 1.888 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCNC(=O)c2cccc(OC)c2)CC1 1539484116 CPMXTXNDEPOTBK-UHFFFAOYSA-N 464.570 1.635 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C)nc2)CC1 1539488820 OMAFYNWFMMDLEU-UHFFFAOYSA-N 477.594 1.987 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1540863717 CJMWQHMHHVJMRG-JKSUJKDBSA-N 465.352 1.722 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)[C@@H]1C 1540904781 OODOSFYLROBYBE-MAUKXSAKSA-N 461.544 1.058 30 10 JDEE CC(C)(C)[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1541235846 CVPYYQHNURTQHL-YTTGMZPUSA-N 494.643 1.358 30 10 JDEE CC(C)NC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1541697315 DHKKNINHTHBOAC-UHFFFAOYSA-N 466.590 1.525 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1587555021 CBBWISPCWULODK-SQNIBIBYSA-N 465.537 1.729 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCOC[C@@H]1C 1587574087 BDQKWKPFLIYKIP-IRXDYDNUSA-N 459.620 1.725 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588034793 LXZFULDMAXLMDQ-JPYJTQIMSA-N 476.599 1.996 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588054634 OWYVGJOSXOECCP-IXDOHACOSA-N 476.628 1.220 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1csc(C(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1588055511 WZYZLRVBZKMPOQ-IAGOWNOFSA-N 476.628 1.679 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](N1CCOCC1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1588059888 XDYMBQOVPHRMFG-DLBZAZTESA-N 477.553 1.366 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCCN2CCC(C)CC2)CC1 1588741349 BOFOWWSCWYYLOI-HXUWFJFHSA-N 465.668 1.156 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OC)nc2OC)CC1 1588955300 VDTYQUGGOPHASD-UHFFFAOYSA-N 475.553 1.690 30 10 JDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1589304537 HQYPQRDCKIHPRK-DLBZAZTESA-N 485.427 1.654 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)[C@]2(C)C[C@@H](O)CN2C(=O)OCc2ccccc2)n1 1618759331 NRFKIEMTQAKEDU-QPPBQGQZSA-N 454.527 1.653 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnc3ccccc3c2Br)CC1 1627371443 YPBVVKFXRIEAQL-UHFFFAOYSA-N 452.334 1.614 30 10 JDEE COC(=O)[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1OC 1636880809 DEDUFJDMDMMRPL-QAPCUYQASA-N 459.524 1.382 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 1682299972 BMHJUTLQZSLKJN-SJORKVTESA-N 459.551 1.594 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1689824738 WIOPBJHNESVGAG-LNLFQRSKSA-N 464.636 1.859 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCNC(=O)OC(C)(C)C)c1 1689868228 AASCGNYXSJZRII-UHFFFAOYSA-N 483.573 1.997 30 10 JDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1689972287 KIGUBEUPGBRIGL-IZHYLOQSSA-N 488.596 1.239 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1689989501 GDSWEHKIXMQPCQ-IRLDBZIGSA-N 485.610 2.000 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCS(C)(=O)=O 1690098044 SUNVYUKIZKOLDR-UHFFFAOYSA-N 471.377 1.847 30 10 JDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)OC)CC1 1690172791 OTVQUGDWYRPJAU-UHFFFAOYSA-N 470.603 1.707 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(N2CCOCC2)C1 1690219415 DFAFUKBBYCDPSP-YOEHRIQHSA-N 477.429 1.098 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2csc(C)n2)CC1 1690312787 CPXNXKNLWTXCEO-SFHVURJKSA-N 480.660 1.860 30 10 JDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1690437931 UQSIYIOTXDBPSM-LJQANCHMSA-N 457.623 1.746 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1690658841 BJNGQJFSZRENRG-BGYRXZFFSA-N 495.632 1.222 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(F)F)CC1 1690661738 FTNJFTAWTXMJPV-UHFFFAOYSA-N 472.338 1.735 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1690678515 YPXKXALYPSFZHD-RXVVDRJESA-N 486.573 1.477 30 10 JDEE CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)N(C)C)C[C@H]2C)CC1 1690829391 XGEIMUNOZUVINE-XXBNENTESA-N 492.628 1.674 30 10 JDEE CCN(CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)C1CC1 1695761848 CYYAWZMYCOZGEO-LJQANCHMSA-N 458.588 1.836 30 10 JDEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CCCN2S(C)(=O)=O)CCOC1 1696063882 ADCAROMKCWRTNN-DUXKGJEZSA-N 466.608 1.484 30 10 JDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCSC1 1696646758 FMKNNJRVIKFDIT-ZWKOTPCHSA-N 476.628 1.952 30 10 JDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1697922382 GSVUTIYDGAMRLM-AREMUKBSSA-N 495.628 1.739 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1705567933 DDWZIEWPMKYGAM-FQEVSTJZSA-N 486.573 1.989 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn(C)nc1-c1ccccc1 1705573379 FQUKPRIFOBLILM-QGZVFWFLSA-N 451.556 1.410 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC(=O)NCC(F)F)CC1 1705646835 PRPQJKRBUYZUDP-UHFFFAOYSA-N 460.485 1.301 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1705648421 VZVWJWVQKFFEFI-TYHYVREOSA-N 482.610 1.122 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC[C@@H]2C)CC1 1705648729 XHXNMNQYPSTATM-IHPCNDPISA-N 492.646 1.013 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2Cc2cnnn2C)CC1 1705651397 VPHGIUPIXPSBEO-UHFFFAOYSA-N 452.494 1.139 30 10 JDEE C=C(Br)Cn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@]1(OCC)CCOC1 1705692764 RZPQAVQMPOVFLL-LBTNJELSSA-N 459.341 1.199 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705701734 CTKSMCAYVBIRND-NQIIRXRSSA-N 456.595 1.306 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1705735815 WUALXDVLQNJWIX-NJYVYQBISA-N 487.649 1.639 30 10 JDEE C=CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1705882011 IRGJJRVHAAPSOB-UHFFFAOYSA-N 450.561 1.532 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)C(C)C)CC1 1705906151 UWUKSVLBNWBXSE-UHFFFAOYSA-N 450.547 1.123 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2(O)CCSC2)C1 1705920084 PVXPOHJQMCAJSV-XMSQKQJNSA-N 493.655 1.845 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1705927937 JBIOGVGVENFIHE-GOSISDBHSA-N 481.619 1.137 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1705931375 NWXCWVQAJHUVKO-OAHLLOKOSA-N 483.497 1.788 30 10 JDEE COC(=O)N1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(C)=O)CC2)CC1 1711464830 CINSEEYIAKYTSN-UHFFFAOYSA-N 451.531 1.964 30 10 JDEE CO[C@@H]1COCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CCC(C)C 1712097773 DOBRBFQSLPPECT-GBESFXJTSA-N 453.609 1.998 30 10 JDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1cccc(OC)c1 1722430273 CRHIBGAJCDULIM-UHFFFAOYSA-N 450.499 1.904 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccc(F)c(Cl)c2)CC1 1722437092 JQVOCCHXOMVBPB-MRXNPFEDSA-N 481.981 1.807 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCCN1C(=O)NC2(CCCC2)C1=O 1722465916 FKCHSBBYDNKRGB-JOCHJYFZSA-N 455.563 1.663 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1722523100 AGUROOGTPABZJC-DLBZAZTESA-N 484.623 1.633 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCCC2)CC1 1722630237 XPVBWLQRDRRHSP-NRFANRHFSA-N 496.678 1.658 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 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C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1760505384 SQBUXQVCITWSSV-OALUTQOASA-N 473.599 1.872 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1760526882 VUAKCERDCKBVHP-HXUWFJFHSA-N 454.575 1.626 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(=O)N(C)C)c2)C1 1760542871 KYSHZCQZEIRLAB-PMACEKPBSA-N 473.599 1.712 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(O)c2)CC1 1760548982 UIXCUMPGONHHOD-UHFFFAOYSA-N 474.587 1.147 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)NCC)CC1 1760552822 BQFXATWSNWJVIT-UHFFFAOYSA-N 492.602 1.415 30 10 JDEE CO[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1768012521 CUCQVPIUEXGYCQ-INIZCTEOSA-N 484.586 1.405 30 10 JDEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1771353324 GCJMHKHDBWIGSV-QGZVFWFLSA-N 451.574 1.265 30 10 JDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862746148 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30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1300500982 GJHHPBRKDHUWNH-LJQANCHMSA-N 469.571 1.218 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300501381 LBUKHYFFAPBDFR-HXUWFJFHSA-N 488.610 1.458 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)CN2CCOCC2)CC1 1300689037 PGNXYFLZNXTLHA-HXUWFJFHSA-N 486.642 1.072 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cccc(OC)c2)CC1 1300711941 KOYRKPRRLNBAOH-QGZVFWFLSA-N 488.614 1.105 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1300991125 KKFWWZXGQQYLKB-OAHLLOKOSA-N 460.564 1.529 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1301223072 MBEFGWXNVMWNAA-QGZVFWFLSA-N 461.592 1.662 30 10 JDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(O)CCS(=O)(=O)CC1 1301306070 XWOWFUHXMSXOLT-UHFFFAOYSA-N 488.658 1.205 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1301587826 ACOFMKALNMQASN-SFHVURJKSA-N 489.598 1.441 30 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C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1508091055 RDFAXLMXOAITIE-XMMPIXPASA-N 487.605 1.411 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@H](Cn3nc(C)cc3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508099438 XMWOBLDKJSAHER-GBXCKJPGSA-N 487.605 1.340 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N(C)C[C@H](C)C(=O)NC 1508136515 TWHHLRFPUBILSL-INIZCTEOSA-N 456.572 1.912 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(Oc2ncccc2F)CC1 1508138918 AMXLCGSBQDNZNN-UHFFFAOYSA-N 475.550 1.861 30 10 JDEE C=CCN(C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@H](Cc1ccccc1)C(=O)OCC 1529014672 MITWFJMYCSIOBW-LJQANCHMSA-N 450.495 1.435 30 10 JDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1539142882 XOHJBAZERSBPMZ-BDTNDASRSA-N 466.586 1.764 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539219462 CPCPNOLBLGHOKA-QMHWCDLVSA-N 458.584 1.707 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1539224357 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1539717749 WLKNTZJMUQVQBQ-UHFFFAOYSA-N 456.547 1.615 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2([S@@](C)=O)CCC2)CC1 1539848836 SBGNDDJIYCGSMF-GUNSETOZSA-N 457.622 1.069 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1540126365 FIYJUKUYWKWEDI-KNQAVFIVSA-N 457.556 1.743 30 10 JDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1548314596 FMBFTELXFIZXJR-LJQANCHMSA-N 492.627 1.256 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1587861440 LXDCIFFEJQVSMF-SJORKVTESA-N 457.547 1.896 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588053332 CNTYDWMLAOEUFV-OAGGEKHMSA-N 451.618 1.388 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1588053974 JHPYQXMTHXNWNC-WOJBJXKFSA-N 458.584 1.968 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCCS1(=O)=O 1588213915 ATGRGKPVKCYEGI-GOSISDBHSA-N 488.639 1.668 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)NCc2ccco2)CC1 1588954778 LJLXLWRGAOJKQV-UHFFFAOYSA-N 481.582 1.509 30 10 JDEE C=C(Br)Cn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1589460899 WZZQUZYMUHXRMV-YZVOILCLSA-N 454.369 1.942 30 10 JDEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)c1ccccc1 1593776335 JUKUKMCYTHLUGM-LJQANCHMSA-N 465.558 1.057 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1594679858 JJMVWUXNSGIBAV-IBGZPJMESA-N 467.684 1.849 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1595405395 NDSVISHFQDXIDX-YSIASYRMSA-N 492.650 1.050 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1595490300 PCGUUOUQJLPQBG-KRWDZBQOSA-N 483.598 1.622 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1595517052 NNRSELOAZVHJDP-MRXNPFEDSA-N 456.547 1.712 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1595545022 PQAVZVSAEANXBU-CYBMUJFWSA-N 451.453 1.846 30 10 JDEE NC(=O)C1CCN(C(=O)[C@@H]2C[C@H](O)[C@H](O)[C@H]3NC(=Nc4cccc5ccccc45)S[C@@H]23)CC1 1614388673 JPRVWKLXOIJEFN-VLQCVTHLSA-N 468.579 1.367 30 10 JDEE C#CCNC(=O)CC[C@@H]1CNC(=O)[C@@H]2[C@H](CCN2Cc2cccc(OC(F)(F)F)c2)N1C 1616139377 BFNJXLDPBDNQGP-KPFFTGBYSA-N 452.477 1.488 30 10 JDEE C#CCN1CCCN(C(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C)CC1 1618029845 JIWNJHQSIOFKFY-UHFFFAOYSA-N 459.616 1.704 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2cnn(C)c2)CC1 1618841963 CQOHAIMMTMJNRG-UHFFFAOYSA-N 454.560 1.483 30 10 JDEE CC#CC[C@@H](CO)NC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1640797831 GBVMHTZCCXFFOI-AWEZNQCLSA-N 456.337 1.640 30 10 JDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cnc3c(Br)csc3c2)CC1 1663955167 PGZCGWWGDSPVEV-UHFFFAOYSA-N 457.375 1.115 30 10 JDEE C#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 1671373545 USKWMMQBGHQKMG-UHFFFAOYSA-N 452.580 1.912 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1689930685 XCLRGYBFFLLSJD-LJQANCHMSA-N 474.587 1.020 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OCCC)nc2)CC1 1690135171 QDLPVDOCXOBONC-UHFFFAOYSA-N 467.574 1.614 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1690139491 PBSJCVHOIDPITQ-HXUWFJFHSA-N 464.570 1.834 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCC(=O)NCc2ccccc2)CC1 1690142422 NTHOYPNPVKJWOD-UHFFFAOYSA-N 459.554 1.946 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCCOC)cc1 1690190591 ZVUIEIKTAROXCL-VGOFRKELSA-N 461.588 1.954 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690302960 PYKPQYNKCORQSS-SFHVURJKSA-N 482.628 1.955 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1690432644 IIWAITOHPYBPLA-MSOLQXFVSA-N 482.651 1.708 30 10 JDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690627738 WSPWHTBYYZVPCE-JOCHJYFZSA-N 471.949 1.862 30 10 JDEE C=CCn1c(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1690653327 MNRBUSIHGYGXKM-OAQYLSRUSA-N 465.551 1.766 30 10 JDEE CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CC1 1695895937 HNCDUJPINLYVCN-CTNGQTDRSA-N 477.679 1.584 30 10 JDEE CCOc1ccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1OCC 1696124572 GTFNQVCQNIJHNH-MSOLQXFVSA-N 454.531 1.998 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCC(O)CC1 1705494755 FHHAOQCZPNLWSF-NQIIRXRSSA-N 471.627 1.643 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1705559081 QKPWZKOYMINSLJ-UFYCRDLUSA-N 477.631 1.592 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](CC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1705559895 GPZFKOIPJNFAMT-NSHGMRRFSA-N 493.655 1.709 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1CCN/C(O)=C1\N=CC=CC1=O 1705586281 CDYFPKZRNMPBLJ-WCWDXBQESA-N 453.506 1.949 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCS(=O)(=O)C1 1705620251 OZAMJZFEEUFVFM-MOPGFXCFSA-N 494.614 1.784 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCn2cc(CO)nn2)CC1 1705634038 HHFJDYGNFXYOAE-UHFFFAOYSA-N 472.500 1.476 30 10 JDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705818948 ZVZIVZJTIXJTDF-UHFFFAOYSA-N 450.565 1.832 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C(=O)OC(C)(C)C 1705884505 QDIQPDVWLXPFTI-MRXNPFEDSA-N 457.597 1.686 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCC[C@H]1C 1706886629 BYKMHZSKGXMESS-VSZNYVQBSA-N 487.634 1.701 30 10 JDEE C[C@H]1CCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1708039937 AMNPWDQBPAHKTL-HTAPYJJXSA-N 474.587 1.361 30 10 JDEE CCO[C@@]1(c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2C[C@@H](C)N(C)C)CCOC1 1710477751 CWOTVLDNHNQYAX-JPYJTQIMSA-N 454.579 1.474 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC2(C(N)=O)CCOCC2)c1 1722307136 JRDIRYKDBHIWGW-UHFFFAOYSA-N 487.564 1.602 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1722316091 AYPGMGHDEFBSEN-OAQYLSRUSA-N 489.646 1.836 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1722357934 BHBYQRUGWGZHRI-JTSKRJEESA-N 472.571 1.367 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1722361937 KSAGCNPABQVYER-VFNWGFHPSA-N 461.975 1.704 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[C@H]2COCCO2)CC1 1722431680 NCMMQCKJLJLXFS-FQEVSTJZSA-N 472.977 1.422 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc3c(c2)C(=O)NCC3)CC1 1722431776 SHZICQNYSCFBGV-GOSISDBHSA-N 452.559 1.092 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2(SC)CCOCC2)CC1 1722445927 FYERKTFNQMYUFM-UHFFFAOYSA-N 457.604 1.557 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccs2)CC1 1722460652 YWHGZJKDTSAHBV-QGZVFWFLSA-N 465.670 1.930 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(C)=O)cc1)C1CC1 1722650644 HLRRGGVRMDKOHI-FQEVSTJZSA-N 474.587 1.773 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nncn1CC 1722657060 POLKVTHHLVASEY-IBGZPJMESA-N 466.571 1.904 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722701443 PYCNREHYJMTTTM-UHFFFAOYSA-N 454.604 1.678 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=O)NCC(F)(F)F)C1 1722711599 VLRNPHHNXUEVLS-HNAYVOBHSA-N 461.485 1.779 30 10 JDEE C=CCOc1ccc(Cn2c(N3CCS(=O)(=O)CC3)nnc2[C@@]2(OCC)CCOC2)cc1 1722733252 VGMIKFNSNHLCNG-JOCHJYFZSA-N 462.572 1.778 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC1(O)CCOCC1 1722866475 BFYLZPMDZPHODD-GOSISDBHSA-N 454.579 1.980 30 10 JDEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCN1CCCO 1727422446 AYRYHMGCZYIPHI-LEWJYISDSA-N 454.575 1.995 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNS(=O)(=O)CC 1740561632 DPYZVWOPMIMJHK-HRCADAONSA-N 454.597 1.446 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCc2nnc(C)s2)c1 1740565569 XCWXJKCCLZVNCW-UHFFFAOYSA-N 478.582 1.859 30 10 JDEE C#CCCCn1c(N2CCC(NS(=O)(=O)CC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740596915 MWNHMWNZJKTIHC-NRFANRHFSA-N 453.609 1.640 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1740619074 FWHBJPWRKLUJGH-AUMHUTNHSA-N 480.612 1.358 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)c1cc[nH]n1 1740644750 SCNMITFHZFWDNJ-CALCHBBNSA-N 466.546 1.275 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(CS(C)(=O)=O)CC1 1740653750 XGDMYHPDCCUGLT-UHFFFAOYSA-N 464.551 1.882 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1740685045 AOQFLNIFNSMLNJ-FHWLQOOXSA-N 495.646 1.940 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccc(Cl)cn2)CC1 1740695929 HQGTTXRYDXSPFM-MRXNPFEDSA-N 464.979 1.063 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740720444 YYKMAUNQKMCZQP-UHFFFAOYSA-N 471.631 1.581 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cnn(CC)c2)CC1 1740782146 DYCYGMYAVJDEMN-IBGZPJMESA-N 463.608 1.788 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCO[C@H](C)C1)C1CC1 1740910479 OGPLJIMNBPMUPC-LMMKCTJWSA-N 453.609 1.971 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1740959845 FWBHUQGMIULAGX-IBGZPJMESA-N 470.549 1.505 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(=O)NCCC)C1 1740981441 OSUQVSBAEOAVCU-LJQANCHMSA-N 454.579 1.760 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1740991746 CTELORLYMFMUHQ-HOTGVXAUSA-N 478.587 1.653 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCSC2(CCOCC2)C1 1740993365 ZACWPHIMTVVYJJ-UHFFFAOYSA-N 463.629 1.967 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCCC2=O)CC1 1748698699 IWAJBBZTRSGGOM-KRWDZBQOSA-N 450.609 1.673 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1748804822 LSWUAPPSVWAKQB-HJVVAQKASA-N 498.671 1.247 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1748977048 CLGMGGKCNWXNQL-HXUWFJFHSA-N 483.592 1.477 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(CS(C)(=O)=O)CC2)CC1 1748979502 CAPIWNDZYUUTHU-UHFFFAOYSA-N 458.544 1.433 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1749031547 ACJJCYCANDDFCR-HNNXBMFYSA-N 459.601 1.890 30 10 JDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1749222416 HMOVOHPPWBIABW-UHFFFAOYSA-N 453.595 1.944 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)c(F)c2)CC1 1749303604 LSYMQOZMVRDNGO-IBGZPJMESA-N 465.551 1.963 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1N1CCOCC1 1749489199 SCNFCWVSDJQKAH-HXUWFJFHSA-N 494.593 1.257 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(CCO)Cc1ccc(Br)s1 1749663318 AARJQVTVRSZLLV-UHFFFAOYSA-N 480.392 1.804 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1749664153 XVLXJBNKMPUJPV-PMACEKPBSA-N 480.617 1.269 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749723882 CARZJGOGTRAUHV-GOSISDBHSA-N 473.555 1.633 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1749734243 HANHPDBJXZPSJV-MOPGFXCFSA-N 494.639 1.784 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1749736882 RHYHEDBYMATEKO-UHFFFAOYSA-N 485.607 1.127 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](N2CCCC2)C1 1760138015 PJWIFVSMYAFNTO-VQTJNVASSA-N 464.636 1.479 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1760184512 XWSDKSFZQRBFFK-KRWDZBQOSA-N 462.576 1.476 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCN1CCOCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760185338 VNOLEJITKJTHFP-GOSISDBHSA-N 458.588 1.078 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760188099 HPTKGLWGLSYIQQ-QGZVFWFLSA-N 458.588 1.580 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760190270 OWXMZCZMIZQDIS-AZUAARDMSA-N 477.656 1.525 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCCCC1 1760219463 FPQUSNNPTAJVOQ-HXUWFJFHSA-N 476.647 1.338 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1cc(F)ccc1N1CCOCC1 1760242852 QHBULJQISXLOCR-UHFFFAOYSA-N 458.538 1.526 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(OCCN(C)C)c2)CC1 1760259033 FVCMAAAXSOELIQ-JOCHJYFZSA-N 452.603 1.916 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCN2CCC[C@H]2CO)CC1 1760402721 SAPNINUMCSOMSM-SFTDATJTSA-N 496.678 1.250 30 10 JDEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760451930 YGSIVQAXURLVQT-UHFFFAOYSA-N 472.565 1.774 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(C)(C)C)CC1 1760553968 NJZDKRCNPBMVGB-UHFFFAOYSA-N 464.592 1.527 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1760556050 TYAKNFCKIBTPSL-IRXDYDNUSA-N 452.581 1.161 30 10 JDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)C[C@@H](C)O1 1770960058 CLGNJZQGSTXHMV-VMXDCPSBSA-N 457.531 1.509 30 10 JDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1770976542 CDRXJBWIFQWNGF-BVZFJXPGSA-N 481.601 1.393 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1772660366 MMJGBHGUYCLDIR-UHFFFAOYSA-N 478.582 1.843 30 10 JDEE N#Cc1cccc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)c1 1858301827 YHIVIBGIECQWTC-HXUWFJFHSA-N 468.535 1.224 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)C(=O)N=c2[nH]nc(CC)s2)c(C(=O)OCC)c1C 1860764687 DDGSKNMNSUZICG-UHFFFAOYSA-N 452.514 1.989 30 10 JDEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C)cc(S(N)(=O)=O)c1 1869032205 NMRHBYSQSYWVSN-NRFANRHFSA-N 457.552 1.890 30 10 JDEE COc1cccc(-n2nnc3c(N4CCN(C(=O)Cc5ccc(C#N)cc5)CC4)ncnc32)c1 1891150958 DDVSFDYQAVXRSS-UHFFFAOYSA-N 454.494 1.982 30 10 JDEE CC(C)(C)OC(=O)N1CCNC(=NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1999032050 LARDKNPSQVRCOH-OAHLLOKOSA-N 460.597 1.649 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2255536967 PLPMVSCLHZSAFM-FQEVSTJZSA-N 453.370 1.544 30 10 JDEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3CN(C(=O)OCc4ccccc4)CCO3)[nH]n2)OC1(C)C 2255626290 DLXGPYIJQIWDGI-QGZVFWFLSA-N 470.335 1.476 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2255752735 LDLCKROZQXWYAM-UHFFFAOYSA-N 474.410 1.307 30 10 JDEE CCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255754159 ZXSPUULILOWQJO-UHFFFAOYSA-N 458.390 1.255 30 10 JDEE C=C(CS(=O)(=O)N1CC[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255794411 LEBYQNLDFDJTMA-JKSUJKDBSA-N 460.402 1.711 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2267166465 SHWMBMZPIXTUNI-JLNYLFASSA-N 465.381 1.853 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)n1 2267467694 PWXQXBAUHNAQQZ-GJZGRUSLSA-N 470.401 1.443 30 10 JDEE CO[C@H]1C[C@@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267518632 FVEPOGYNYPNKQL-KBPBESRZSA-N 450.345 1.463 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@H]21 2267547343 IYFXVJLSSBAWKI-HUUCEWRRSA-N 465.381 1.903 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2267561022 KIMMIBBZFRIRAZ-GOEBONIOSA-N 450.341 1.927 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)CO1 2267719538 GJBUHQHUHIJDOB-CYBMUJFWSA-N 472.344 1.954 30 10 JDEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281981296 YIZBOXPITCYZHE-OAHLLOKOSA-N 464.372 1.082 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 2282009040 MJIRHEDXKWAWJQ-IBGZPJMESA-N 454.380 1.659 30 10 JDEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H](O)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282042594 HXHAYJXKEKBACR-ZDUSSCGKSA-N 484.790 1.427 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@](C)(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2282536222 ZTCYYRUIGBJUBX-RPLXOIEJSA-N 482.412 1.967 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C(C)(C)CC2)n1 2282647856 HISUWAVGEQZTRE-UHFFFAOYSA-N 463.388 1.976 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H]2C[C@H]2[C@H]1CNC(=O)OC(C)(C)C 2282855417 DNPDPTYXWYHLBF-SQWLQELKSA-N 482.412 1.253 30 10 JDEE C[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H]1CCN(Cc2ccccc2)C1 2282864266 CXSGKKXHTIOJFW-MJGOQNOKSA-N 474.436 1.908 30 10 JDEE CC1(C)OB(c2cc(C(=O)N[C@@H](COCc3ccccc3)C(=O)O)c(O)cc2O)OC1(C)C 2284328700 GCMWWVHXXMNGCT-KRWDZBQOSA-N 457.288 1.797 30 10 JDEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@H](COCc3ccccc3)CC(=O)O)c2)OC1(C)C 2284407800 PEQHIMXZZAISEG-SFHVURJKSA-N 476.360 1.719 30 10 JDEE C[C@@H](OCc1ccccc1)[C@@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284410442 BRZVNZYITMCVDQ-RHSMWYFYSA-N 496.416 1.920 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3CNC(=O)OC(C)(C)C)n1 2359266671 NIPCRHVFMRTWNN-ZNMIVQPWSA-N 461.372 1.632 30 10 JDEE COc1nc(O[C@]2(C(N)=O)CCN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365381631 CTURSOMMMWDVGL-JOCHJYFZSA-N 463.340 1.633 30 10 JDEE COc1ccc(-n2c(=O)/c(=C\c3ccc([N+](=O)[O-])o3)s/c2=C(/C#N)C(=O)NCc2ccco2)cc1 12565390 RFPUYSRGZVECCK-VJSOSFQDSA-N 492.469 1.821 30 10 JDEE C=C(C)C(=O)O[C@@H]1C[C@](C)(OC(C)=O)C(=O)CC[C@]2(C)O[C@H]2[C@H]2OC(=O)C(COC(C)=O)=C21 257403618 DDRDDFBLSIAXPP-MYCQDKMLSA-N 464.467 1.492 30 10 JDEE Cc1cccc(N2C(=O)N[C@H](CCC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2=O)c1 502920327 SDVYTVADEBPEEC-HXUWFJFHSA-N 495.561 1.605 30 10 JDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(CC(=O)Nc4cc(C)on4)CC3)n[nH]2)c1C 1135901314 JFLNRPCMAUOOMS-UHFFFAOYSA-N 452.519 1.769 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H](C)N2CCN(CC)CC2)c1 1286310135 BRBKNDDYXBDLJU-IFMALSPDSA-N 479.629 1.864 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)Oc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1286389735 PMZRWXXBDSGFCH-WMZOPIPTSA-N 470.530 1.968 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286396868 WVCFYKRIYPFYIT-FUHWJXTLSA-N 496.586 1.003 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[C@@H]1NC(=O)NC1=O 1286414538 ZAMUHCUQILPBKB-ROUUACIJSA-N 483.573 1.454 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNc1nccc(C(F)(F)F)n1 1286446369 DTHOLSHVAKZMFN-CYBMUJFWSA-N 457.482 1.561 30 10 JDEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286666952 MLRGQYVRTOKRSG-UHFFFAOYSA-N 480.573 1.455 30 10 JDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@]3(CCCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286793208 VLSFITOSIZVSPS-CDNPAEQRSA-N 463.579 1.395 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(CC3CCCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1286793477 FYRRNWQZNGZCOX-DEOSSOPVSA-N 460.623 1.935 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccnc(SC)c2)C1 1286808661 DGSNBBVCKGIDRN-QZTJIDSGSA-N 494.643 1.558 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC2(CCC2)C[C@@H]1CC 1286816931 IZKCVRQOTUUQEE-HOTGVXAUSA-N 459.638 1.648 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286817385 RUTXFRDASJELMX-UHFFFAOYSA-N 497.625 1.162 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1286817670 XIKBKJPIEWBSSV-KRWDZBQOSA-N 481.022 1.753 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)N1CCOCC1 1286959427 GSATVWCQMKMRLL-INIZCTEOSA-N 473.965 1.706 30 10 JDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1297677024 CJXAZYWSDSBDHF-UHFFFAOYSA-N 458.466 1.366 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1300337326 ZDGOHUVXQMKFGF-IBGZPJMESA-N 498.609 1.282 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCOC1CCCC1)[C@H]1CCS(=O)(=O)C1 1300479642 QXOXMVKJDWOLQI-SFHVURJKSA-N 486.598 1.901 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1300488526 SFENZFALBPJWPB-IBGZPJMESA-N 485.591 1.441 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1cnn(CCOC)c1)[C@@H]1CCS(=O)(=O)C1 1300489899 VKAOMLSJYHUAID-HXUWFJFHSA-N 484.582 1.472 30 10 JDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300635861 YZQXXPCEDCBEEN-QFIPXVFZSA-N 499.685 1.384 30 10 JDEE C=CCCCCCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCS(=O)(=O)C1 1301170303 RFBCJIDDHFXWHZ-OAQYLSRUSA-N 465.576 1.738 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1301223400 ULSBNHYBBONODW-VQTJNVASSA-N 493.634 1.296 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1301459070 PNZFFXHURPDISP-ULQDDVLXSA-N 484.623 1.537 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1301492843 OXCONODERYSLFP-UHFFFAOYSA-N 478.601 1.928 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(Oc3ncccc3F)CC2)nnc1[C@]1(OCC)CCOC1 1301518128 GFZFUNBWOLJEGF-QHCPKHFHSA-N 474.537 1.814 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@@]3(C)C2)cc1 1301519047 POLDYCTZFDPUQV-KSFYIVLOSA-N 490.586 1.532 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(O)cc2)C1 1301558039 SPIJHVXWDNXPKT-UXHICEINSA-N 477.587 1.341 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC)[C@@H]1CCS(=O)(=O)C1 1358957771 ADWFXBXYPARTQB-QGZVFWFLSA-N 465.601 1.232 30 10 JDEE C#CCN(c1nnc(COCC)n1CCc1nnc2n1CCCCC2)[C@@H]1CCS(=O)(=O)C1 1358967632 OPAZLFNFNYDFCZ-QGZVFWFLSA-N 461.592 1.002 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC[C@H]1CCOC1 1358976417 DKXXCPFKYAXUCL-LJQANCHMSA-N 460.538 1.708 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCO[C@@H](C)C1 1358994037 CJKTVAFDSLUGIA-UFYCRDLUSA-N 463.604 1.279 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCS(=O)(=O)N1CCSCC1 1358995744 DEXDKZASGQGGJP-UHFFFAOYSA-N 458.613 1.105 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H](OCC)C(C)C)CC1 1359045925 YGTNICUSGJRRME-WOJBJXKFSA-N 479.647 1.597 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)c(F)c1 1359070227 IOVJKTRMOQISFZ-NFBKMPQASA-N 490.605 1.857 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1359117322 UNTVBNRWBDDAHK-CQSZACIVSA-N 468.530 1.705 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(N(C)C)CCSC1 1359272152 MCTADNWNPKTKRS-YLJYHZDGSA-N 470.665 1.227 30 10 JDEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359310871 KEAHMDVFILPQBE-UHFFFAOYSA-N 452.559 1.725 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(F)(F)F)C1 1359321952 NTKRFEUANBLZCV-HUUCEWRRSA-N 467.514 1.735 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1359332150 QJWFKGGTNSEHQF-GOSISDBHSA-N 478.619 1.201 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359332450 YEQMXMSRIHIHJD-LJQANCHMSA-N 481.619 1.196 30 10 JDEE C=CCN(C(=O)c1cc(S(C)(=O)=O)cc(Br)c1C)[C@H]1CCS(=O)(=O)C1 1359871270 KQIHMYTZCSJYPD-LBPRGKRZSA-N 450.376 1.976 30 10 JDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(=O)n(CCN(C)C)c1 1472538976 ANMICUJQKKKKAH-GOSISDBHSA-N 459.572 1.646 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507623841 YCJWXQRYIGIIIW-LJQANCHMSA-N 464.636 1.309 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1507625088 FWZNOBCXZCNKSN-CVEARBPZSA-N 498.403 1.088 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1507630216 UURUTZQGSKXHSM-FQEVSTJZSA-N 452.584 1.928 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1507635595 UCHVKKJVOAZRCS-MRXNPFEDSA-N 461.498 1.531 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1507636731 CTZANVHSFJRWSY-LNLFQRSKSA-N 479.990 1.726 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(CO)c2)CC1 1507736091 LOFBWSPUUFMKKP-SANMLTNESA-N 481.597 1.825 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(=O)NCCC)CC1 1507738130 KFBNXZCHNFAGDV-UHFFFAOYSA-N 474.569 1.623 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)C(=O)OC(C)(C)C 1507766342 ZMHLZUQYCKQLCG-FOIQADDNSA-N 454.597 1.747 30 10 JDEE C=C(Br)Cn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1507792221 XQIBXVWRMHVZKC-QFBILLFUSA-N 456.385 1.748 30 10 JDEE C=CC[C@H](Cn1c(COCC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccccc1 1507929114 NNNVAGYRTIEUSQ-JOCHJYFZSA-N 496.612 1.682 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1cc(C)oc1C)C1CC1 1507993261 PDSQFIZMOWJAAX-UGKGYDQZSA-N 479.603 1.883 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1508070681 BEPCNQRCFLREFY-UHFFFAOYSA-N 477.610 1.944 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1508072681 FFKMJJRPNSFQAE-LJQANCHMSA-N 489.983 1.783 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](CCOC)C1 1508080223 MHKVARJKVBWCLG-MRXNPFEDSA-N 461.592 1.403 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1508089723 FVKQPWMPVSGIFB-OAQYLSRUSA-N 453.591 1.518 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC(F)(F)F)cc1 1510217333 GVTJLQNQLBGMGH-IUODEOHRSA-N 474.465 1.564 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCCS2(=O)=O)c1 1539042909 LANXQSMEIRXIIP-ICSRJNTNSA-N 471.583 1.806 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CCOC)CC1 1539102179 UKYHEETYBPLKDX-UHFFFAOYSA-N 460.604 1.377 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539200322 GWASHJWGMOARQX-IAGOWNOFSA-N 496.634 1.298 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1539205341 GUTLHLXOBYBDIM-KRWDZBQOSA-N 466.585 1.015 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539211738 KQKJTICWVKHDIG-JOCHJYFZSA-N 471.627 1.857 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539225540 ONGMZXDVENFPQD-XXBNENTESA-N 460.600 1.911 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539402687 GWEXXFWSDBAWDS-MRXNPFEDSA-N 482.006 1.975 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1539498736 WHPQVELOPZEQBT-JYJNAYRXSA-N 486.664 1.604 30 10 JDEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1539530888 OLPCNUKPBORLQQ-DLBZAZTESA-N 478.619 1.668 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1539606511 HDXFTRWPRXHYKN-OAHLLOKOSA-N 480.411 1.098 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CCOC(C)C)CC1 1540863811 GFNITVBOZLAASJ-UHFFFAOYSA-N 480.411 1.885 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(=O)OC)C1 1540907022 JMAQHTGDHKPEQU-OAHLLOKOSA-N 481.600 1.260 30 10 JDEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1544321788 AMENZTNXHRHOEC-WMQCIHAUSA-N 452.536 1.985 30 10 JDEE CNS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1554506998 HLUWWNHPFLBOLF-UHFFFAOYSA-N 466.011 1.877 30 10 JDEE C=CCONC(=O)CCCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1556633847 WIKDRZCMOXWNMC-UHFFFAOYSA-N 459.952 1.586 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1588034944 NRNJVWYWKKZDNC-PGRDOPGGSA-N 465.620 1.041 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2c1OCCCO2 1588385848 KUQFTYQWZYVPDS-IBGZPJMESA-N 475.571 1.280 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC=CO2)CC1 1588961868 PITOVCUYIDCRHZ-GOSISDBHSA-N 468.583 1.928 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nnc3n2CCCC3)CC1 1588984346 GYHHHIAJFOGVJT-INIZCTEOSA-N 492.675 1.567 30 10 JDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1589089975 ZNJWUAMNPYBWNC-KRWDZBQOSA-N 451.560 1.162 30 10 JDEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1594744607 VKVFSPJUZKMSLD-UHFFFAOYSA-N 470.603 1.783 30 10 JDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O)C1CC1 1595021013 QHNGWYXTBLZLMY-JZXOWHBKSA-N 486.664 1.247 30 10 JDEE C=CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1595026463 LTQRSCPGQWIJND-DYESRHJHSA-N 453.609 1.755 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1595467364 SGJASEMMEUZHQM-FQEVSTJZSA-N 457.623 1.909 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)COC)CC1 1595475841 GSTJRZJKLSOCQM-LJQANCHMSA-N 470.574 1.632 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1595477831 ZZQCGJLRPYAIDQ-MSOLQXFVSA-N 468.558 1.930 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2nccc(OCC)n2)CC1 1595522379 CRMBMRYTUCWBTF-UHFFFAOYSA-N 466.521 1.902 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1595830792 HGLCIMZYMNAKMH-DLBZAZTESA-N 450.565 1.881 30 10 JDEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)[C@@H](C)C1=O 1607566580 DDNKCXVKKHPNOO-RXVVDRJESA-N 468.558 1.837 30 10 JDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCc1cccc(C(=O)NC)c1 1616922527 CRBKZENPZUBZGI-SFHVURJKSA-N 489.584 1.794 30 10 JDEE N#C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC2(O)CCOCC2)CCO1 1620354378 CSQLBCYMTMQMFC-GOSISDBHSA-N 474.949 1.522 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1 1637500140 FKTNZWILBJFFFN-KRWDZBQOSA-N 451.545 1.354 30 10 JDEE C[C@@H](C(=O)N1CCCC1)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1642020304 FICTVJYNUKYSQY-PMACEKPBSA-N 458.632 1.085 30 10 JDEE C#C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1 1666971197 JLLZWPPRQBMUCW-QGZVFWFLSA-N 450.561 1.204 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC(=O)NCC(F)F)c1 1689871708 CEENHUOTLCXTIP-MRXNPFEDSA-N 460.485 1.610 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N1CCOCC1 1690103475 DHKDTIXSAHUTKB-VXKWHMMOSA-N 487.626 1.340 30 10 JDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1690172721 MEIPXCUCIFAWTP-KSEOMHKRSA-N 474.675 1.917 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncnn1C(C)(C)C 1690266042 YYAISZMUUPJMPH-INIZCTEOSA-N 466.612 1.408 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690278690 NLYHTSSMYBTNBT-KRWDZBQOSA-N 458.544 1.397 30 10 JDEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690341131 GEKZVYRCWGXJFO-UHFFFAOYSA-N 492.005 1.805 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1690485156 MKUVTIYDRTUEHR-SJORKVTESA-N 454.597 1.072 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)OCC(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1690677926 FBKMKOIFJRXSEI-QFIPXVFZSA-N 464.567 1.147 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)CC#N 1690717692 NSHAMUZCZZQXMZ-OAHLLOKOSA-N 451.574 1.688 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(COC)CC1 1690723233 LPTBPQRMCUMWQJ-UHFFFAOYSA-N 465.576 1.860 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)N[C@@H](C)CC 1705481959 PKCGORQPJZKQSS-DLBZAZTESA-N 460.604 1.958 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Br)s1 1705551573 ONQMDHNGUYUOPJ-CQSZACIVSA-N 488.433 1.747 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1705563336 VKVPNBLQIOKQQU-UYAOXDASSA-N 460.556 1.386 30 10 JDEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1705564551 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C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1705772319 MMATWYMCSJSMMP-UHFFFAOYSA-N 483.554 1.993 30 10 JDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1705800180 QHKRTMHCUBZPDK-KRWDZBQOSA-N 468.624 1.320 30 10 JDEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 1705819656 QXGDJHBYNPVSBT-RTBURBONSA-N 478.594 1.894 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1705933360 DPKYFJVUVDDCSM-HXUWFJFHSA-N 470.599 1.576 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1705938011 KWNBJAAMVIYPQX-JPYJTQIMSA-N 492.598 1.851 30 10 JDEE CCN1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](COC)C2)CC1 1710269645 ABCDHOUBHMBWTA-NZQKXSOJSA-N 483.617 1.606 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CCS(=O)(=O)N1CCSCC1 1722302274 QXXDFKJYNXSGDF-GOSISDBHSA-N 477.656 1.908 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCc2ccccc2C1 1722352326 OBDNRUBNIYWZLZ-RXVVDRJESA-N 472.615 1.127 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722364212 JXTGBJVILNWPGU-OFNKIYASSA-N 480.631 1.764 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1722384839 YFNADBRQUPFBIF-RBUKOAKNSA-N 475.615 1.900 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)N1CCN(CC)CC1 1722398446 YWEUVDJYGLFQKB-LJQANCHMSA-N 451.575 1.495 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC2CC2)nc1 1722413214 JVXKHXZJZOVEEV-LJQANCHMSA-N 474.587 1.303 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](COC)OC)CC1 1722444001 SDSSIENBSHFCJZ-KRWDZBQOSA-N 493.406 1.673 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1722459322 HUCIGDSSFQDDQF-MSOLQXFVSA-N 467.661 1.535 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1722583670 SUMVSZJYIQZJDN-IRXDYDNUSA-N 477.553 1.846 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)NC 1722656397 ZYUIETYPKAEUAK-UHFFFAOYSA-N 483.554 1.619 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC(F)F)CC1 1722690332 ICHZCFDEQYNJFU-UHFFFAOYSA-N 481.935 1.551 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722694648 CRTKDTHAIBDNQS-VQIMIIECSA-N 450.499 1.156 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1722726557 DELUVFAECUPJII-UHFFFAOYSA-N 487.630 1.977 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1722728789 YWKVAYVDIBVGCV-NRFANRHFSA-N 471.518 1.235 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCNS(C)(=O)=O 1740552309 WWKZXHIGSBMNDJ-OAHLLOKOSA-N 457.560 1.072 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1740592558 ZLCXCCUCKOMULH-SFHVURJKSA-N 456.547 1.931 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1740615654 INQQKKVLGQPBOL-MRXNPFEDSA-N 499.528 1.165 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(N(C)C)CCOCC1 1740637942 JBCNRNQLKWILNF-UHFFFAOYSA-N 462.602 1.636 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(OC)CCOC2)CC1 1740696482 VNVVIGIVDHJASE-YADARESESA-N 490.605 1.147 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1740709228 KSPPULOLYHUQBX-LJQANCHMSA-N 469.615 1.840 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCCO1 1740989955 DAIMXHMRDWSVIX-QGZVFWFLSA-N 486.598 1.891 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C1CCCCC1)N(C)C 1741943734 HWGIRNGEURZSLH-JQHSSLGASA-N 453.613 1.128 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1748824324 NYSFHEYONRJVPX-RTXPOLOASA-N 482.647 1.611 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccsc1)N(C)C 1748892335 NVKRMZNOYKRRCE-VQTJNVASSA-N 490.655 1.438 30 10 JDEE COc1cccc([C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)N(C)C)c1 1748894237 FJQCEQVOYBAPBP-LZNRXBQRSA-N 476.578 1.934 30 10 JDEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@](C)(O)C(C)C)CC1 1748979366 YBICEYOHRRPHDQ-HSZRJFAPSA-N 473.647 1.709 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1749009434 ITIGTVVDKLNLGD-IBGZPJMESA-N 456.591 1.396 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1749011209 ZBKWLXNKQCHUOQ-NRFANRHFSA-N 480.594 1.750 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1cccs1 1749158349 HNKFUADUWNFWFQ-UZLBHIALSA-N 469.633 1.983 30 10 JDEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749386720 JKIRBYVGWGTDNA-GOSISDBHSA-N 485.976 1.365 30 10 JDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1749402064 IQPNFFLMMVPBCG-SFHVURJKSA-N 475.619 1.970 30 10 JDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1749485232 NUUGHTPUPLBKHZ-UHFFFAOYSA-N 472.571 1.237 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1749705057 FVNCGKXYMBBJMI-YLJYHZDGSA-N 453.522 1.943 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2cccc(OC)c2)C1 1749707277 CYJMZKVUDBUULS-MOPGFXCFSA-N 454.531 1.449 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cc(F)cc(F)c2)C1 1749711824 CTDCFHKSUAVEQF-VQTJNVASSA-N 497.568 1.913 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1749732127 QDIVPJCPKZTVHX-UGNRZPKXSA-N 454.593 1.546 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccco2)C1 1749756212 UTVWHCBHNLTHQE-ZWKOTPCHSA-N 483.616 1.701 30 10 JDEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCNS(=O)(=O)Cc1ccon1 1760115213 AYWBEBKVCYCIJQ-AWEZNQCLSA-N 464.498 1.713 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1760186393 MYGITHGAAJKIAB-HNNXBMFYSA-N 465.526 1.298 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(F)ccc1SC)[C@@H]1CCS(=O)(=O)C1 1760188593 PMVAQRBZKHFHBT-IAGOWNOFSA-N 477.587 1.765 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760192632 WKVZRNHKHZULHT-OAQYLSRUSA-N 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C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2[C@H]1C 1286790412 DXRWXGMQAIUMOI-VQIMIIECSA-N 474.587 1.037 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1286818645 LROGTRJUFALCDX-IBGZPJMESA-N 461.636 1.479 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccccc2CC1 1286820956 WLQFYYIMUBATIA-IBGZPJMESA-N 464.613 1.386 30 10 JDEE CCc1csc(-n2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cn2)n1 1290635831 DIRILLMEWWOXOO-UHFFFAOYSA-N 456.553 1.910 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2C[C@H]2C)c1 1300333936 GOIHIULEDXHLTA-POAQFYNOSA-N 486.598 1.323 30 10 JDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1300400434 WOWSURCUXBKYNU-UHFFFAOYSA-N 465.539 1.870 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1300503082 ZWINKMQZMXZHIN-HZPDHXFCSA-N 471.555 1.685 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CCS(=O)(=O)N1CCSCC1 1300529233 IERUEBDGMDKVEI-UHFFFAOYSA-N 482.635 1.888 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC(=O)NC2CC2)CC1 1300718121 BPTVMZORIJDGMD-UHFFFAOYSA-N 479.541 1.878 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCNC(=O)c2occc2C)CC1 1300719808 QPVNJZMCQTUQLE-UHFFFAOYSA-N 477.569 1.971 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC2(COC)CCOCC2)CC1 1300719912 VHOGEOCCODCDFM-UHFFFAOYSA-N 452.559 1.749 30 10 JDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1300742451 JJALJLIJNUZRQY-UHFFFAOYSA-N 456.572 1.484 30 10 JDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1300745281 IFQWKFONARCYHP-OAQYLSRUSA-N 451.560 1.250 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1300989376 ALSMVIRTQQJQLU-JYJNAYRXSA-N 497.540 1.360 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1301545362 GLPHYLFNTVDOMY-YWZLYKJASA-N 452.964 1.929 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1301586950 KURCNKRNFAXUBR-HXUWFJFHSA-N 491.589 1.436 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@](O)(c3ccc(C)cc3)C2)nnc1[C@@]1(OCC)CCOC1 1301596573 SIWCIWQYEVNOMH-BJKOFHAPSA-N 490.626 1.937 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1301596784 YRDLOKPPLNSYAQ-LAUBAEHRSA-N 464.592 1.258 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCc1c[nH]c2ccccc12 1303866120 GJRJNWAJCYJQRU-DOTOQJQBSA-N 457.560 1.731 30 10 JDEE COCCN(CCOC)C1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1312624947 GRSXALHLXQJISA-QFIPXVFZSA-N 457.575 1.428 30 10 JDEE C#CCOCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1 1347694176 UNKGWSQOVJWUBY-QGZVFWFLSA-N 451.545 1.277 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1358957339 SULAIZAUWLKBPQ-NZQKXSOJSA-N 473.599 1.583 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1358958103 HTZYVYPBPCCCRA-JTSKRJEESA-N 496.536 1.979 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CCCN(C)S(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1358959556 LFUPODDFTXGWMB-IBGZPJMESA-N 479.628 1.243 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1358962289 NHOPRZKXVBVHBP-UXHICEINSA-N 463.648 1.921 30 10 JDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1359117031 YBMHEYCOGRBFGV-UHFFFAOYSA-N 465.605 1.366 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359216021 NPZKSHBCSVFGGK-KRWDZBQOSA-N 468.624 1.272 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1F 1359281983 OIZVDPCUGLGTKR-SFHVURJKSA-N 453.540 1.437 30 10 JDEE CC(C)CN1CCO[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)C1 1360038406 FCTPQQFBTLGKRQ-PMACEKPBSA-N 464.636 1.667 30 10 JDEE CC[C@H](C#N)Oc1cccc(CNC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)c1 1457648439 CJATVKRSBMTWRW-MRXNPFEDSA-N 450.499 1.988 30 10 JDEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C1 1501097008 HOAOLSHNXDXAQB-GOSISDBHSA-N 459.576 1.109 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc2ccccc12 1504887575 CIAOEFIXBJKALX-HXUWFJFHSA-N 488.570 1.772 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCN(C(C)=O)CC1 1507661755 HGANCJZXFOYBGB-UHFFFAOYSA-N 472.391 1.663 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ncn(C)n2)CC1 1507732773 XLZFRVHTWLQGFC-UHFFFAOYSA-N 469.594 1.325 30 10 JDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C(=O)NCCOC)CC1 1507751230 FRAXMKBIBOQXJL-UHFFFAOYSA-N 495.609 1.939 30 10 JDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1507910511 UJPDHFTZGPMVGI-SFHVURJKSA-N 482.651 1.649 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2Cl)CC1 1508059587 XRFKLRWMARAKBN-SFHVURJKSA-N 466.995 1.777 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(CC)C(=O)C1 1508096912 CYEKIYFGYNXBEI-KRWDZBQOSA-N 475.594 1.711 30 10 JDEE CNS(=O)(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC#N)CC2)c1 1517612578 AFMRDUVGEGUODX-UHFFFAOYSA-N 471.587 1.601 30 10 JDEE C=CCN(C(=O)CCS(=O)(=O)c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1528605572 LYGXEAXCVSVZEY-AWEZNQCLSA-N 450.376 1.815 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2cccnc12 1539014236 LMUMCVGFUUSNPQ-VQIMIIECSA-N 454.556 1.665 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccn(C)n2)c1 1539042784 IZDCAUVXBYCPKE-GOSISDBHSA-N 481.582 1.213 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1539210270 ASSUVLCJZUUULS-HNNXBMFYSA-N 488.994 1.799 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1539210272 ATPLGXQLIOWKNN-KRWDZBQOSA-N 466.585 1.015 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539224531 HXQKAOBDDLRDMQ-VXKWHMMOSA-N 486.642 1.247 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1539230529 NQVVGHSOEGYIIC-GBXCKJPGSA-N 488.610 1.906 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCN(C)C1 1539392351 PNNXFULGZHWLQG-AVRDEDQJSA-N 461.563 1.026 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCCS(C)(=O)=O)CC1 1539429869 DEDQJMXBGODYIW-UHFFFAOYSA-N 452.584 1.992 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC=C)CC1 1539469774 VCDCVHQBTYTENL-UHFFFAOYSA-N 455.588 1.698 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1539474050 IGNZVFPJVZMKQP-CRICUBBOSA-N 483.569 1.468 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCN2CCOC2=O)CC1 1539484228 IFGZYYTVYPVSIP-UHFFFAOYSA-N 451.531 1.072 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1539484384 NEKLRKIVCQTATB-UHFFFAOYSA-N 483.638 1.854 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cc(C)cn2)CC1 1539498312 RXBIENJAYOVBPX-KRWDZBQOSA-N 465.649 1.676 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1539499053 CCWLZWZHIFMBJO-MJGOQNOKSA-N 493.655 1.802 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1540862356 AAEWTXOBDVICDG-PBHICJAKSA-N 462.938 1.325 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1540880432 GTWARRQDFSMCSL-PMACEKPBSA-N 489.598 1.135 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1540909068 WMDPKNDTBDRDKX-RCCFBDPRSA-N 488.676 1.811 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c2)c1 1545118183 ZDEOAEOPFDQAKW-CALCHBBNSA-N 458.540 1.568 30 10 JDEE CCN(CC)CCN(C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)[C@H]1CCS(=O)(=O)C1 1545876560 DIVBMLRWCDCOQA-MOPGFXCFSA-N 450.580 1.881 30 10 JDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCN(C(C)=O)C2)cc1 1554978698 DAISFPDJRKNYHE-WIYYLYMNSA-N 454.531 1.853 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1587692993 OELDJXGRCNOHIS-CVDCTZTESA-N 487.582 1.126 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)CCCOC 1587988909 DNPQQFUIKQYMKI-SFHVURJKSA-N 450.584 1.624 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccc(F)cc1C)[C@@H]1CCS(=O)(=O)C1 1588025436 ZPWWQQOHGSUHDP-HXUWFJFHSA-N 473.574 1.831 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1588055264 UMSJMQJAJQGIQY-HSALFYBXSA-N 463.648 1.919 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1588059213 JVQQUVRFKZMIFT-SFHVURJKSA-N 475.590 1.797 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1cccc(C(=O)NC)c1 1588124188 DWZDYMKHFQFVMT-UHFFFAOYSA-N 489.605 1.913 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)CN2CCOCC2)CC1 1588908298 NSXPZNFLUIPNBI-FQEVSTJZSA-N 475.597 1.751 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(OCC(N)=O)c2)CC1 1588923674 IRFUGCBSOAFFCR-UHFFFAOYSA-N 487.564 1.527 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)Cc2ccccc2)CC1 1588929576 DARMLPKPWXLXSX-JOCHJYFZSA-N 498.653 1.278 30 10 JDEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1)c1ccccc1 1594535528 SAJKPCQYJMKMJB-HXUWFJFHSA-N 492.588 1.112 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1595475468 CPXMZOAQYCNWPP-OWJWWREXSA-N 499.547 1.674 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(C)C)C(=O)C1 1595545355 WEHDLIWJMUJVFR-UHFFFAOYSA-N 481.605 1.059 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1595555515 AWJVKFZAOZRAML-HSZRJFAPSA-N 471.512 1.935 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1595784784 KSOPVIJOECRSNL-UHFFFAOYSA-N 483.598 1.171 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1595797733 ICGAYAFBXKHCMC-ZACQAIPSSA-N 476.690 1.891 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H]2c2cnn(C)c2)nnc1[C@@]1(OC(C)C)CCOC1 1595830591 DLEGJZSZCBISPG-DENIHFKCSA-N 478.619 1.995 30 10 JDEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1595890025 GTJGKDWBVICKHL-UHFFFAOYSA-N 496.641 1.563 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCc1nnc2n1CCCCC2 1611663177 FCGDHESZUOZYSU-QGZVFWFLSA-N 497.629 1.957 30 10 JDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1)OC 1619598180 HHMIMJQYOOCYTL-JOCHJYFZSA-N 492.584 1.858 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](F)C1 1619912368 ARBQKLHHBGKPFS-IKGGRYGDSA-N 458.560 1.116 30 10 JDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1)C(C)C 1635870120 UXRQKGYUPRTCIZ-AWEZNQCLSA-N 454.936 1.345 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cc1 1636782391 LYMCJUCYPFDKQY-MRXNPFEDSA-N 457.499 1.973 30 10 JDEE C#CCC[C@@H](O)CNC(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1679143623 NDNPAWHWVLJEDZ-QGZVFWFLSA-N 453.561 1.178 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)N1CCN(Cc2nc(O)c3c(C)c(C)sc3n2)CC1 1685844152 KWRZGZPJCSYFNV-UHFFFAOYSA-N 453.590 1.442 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689983984 IVDMALRBBXFMRE-LBUQITIBSA-N 495.001 1.774 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1689985752 ATKAJJFXMUJPQX-CTNGQTDRSA-N 455.584 1.830 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(C[S@@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1689993656 JCEDLRGOSAWPAX-PRAQEBQASA-N 460.625 1.784 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1689997058 UZUFYTKJGIFQEC-QGZVFWFLSA-N 479.990 1.663 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C(=O)OC(C)(C)C)C1CC1 1690032582 DXMJKHNVZVDDCX-QGZVFWFLSA-N 478.619 1.751 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C(N)=O)CCCC1 1690036861 DRAANPHMPQPDEX-UHFFFAOYSA-N 482.610 1.704 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccn1 1690104243 QPHPBSKEUFNJFD-SFHVURJKSA-N 476.603 1.070 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1690169397 AAKJBAKXZHWHSB-UHFFFAOYSA-N 485.639 1.697 30 10 JDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1690317129 STTXPKDEAVYARC-HXUWFJFHSA-N 473.622 1.126 30 10 JDEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1)c1ccccc1 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C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1690722872 YTCYCMAUZFAIGQ-UHFFFAOYSA-N 484.582 1.552 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1690724411 OHTWXQAMHNQOJS-IIBYNOLFSA-N 498.602 1.018 30 10 JDEE CCOc1ncccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1696180987 BHBRYBFANQIYDC-INIZCTEOSA-N 453.528 1.840 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCOCCS(C)(=O)=O 1705505371 JTJRESPZSLOFFT-IRXDYDNUSA-N 469.608 1.869 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1705568136 IEWVZIFATXWNAN-HXUWFJFHSA-N 473.599 1.627 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1705568552 PUMUYQOEBDOIES-SFHVURJKSA-N 469.592 1.945 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1705571487 ZXDUCOGAOMQFAW-OALUTQOASA-N 479.628 1.456 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1705627870 REPFZCKGPYTKJD-GOTSBHOMSA-N 453.587 1.873 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1705632667 YAODKGIIPMGQNV-VQTJNVASSA-N 472.977 1.157 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1705643537 JQVGWWCXRLZPPU-REPLKXPHSA-N 456.591 1.684 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1705735906 YCRWRMIAKRDKIJ-KSEOMHKRSA-N 460.623 1.754 30 10 JDEE C=CCN(CC=C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1705869710 BQPZSVSUPGZAFS-NRFANRHFSA-N 454.593 1.437 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1705927564 AQECVJJMQOBFIR-ZWKOTPCHSA-N 465.620 1.899 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCCN(C(=O)C2CC2)CC1 1705936448 RBGKIFLBCDNVQK-GOSISDBHSA-N 451.593 1.569 30 10 JDEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705941635 PUJQOLRBIZNDOM-QGZVFWFLSA-N 486.598 1.419 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CN(CC)CC 1722294016 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C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1722477204 QLWWQGGFTJPLES-CVEARBPZSA-N 483.411 1.790 30 10 JDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722479896 MGJZNHGJBLYJLA-ZIAGYGMSSA-N 451.387 1.924 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(CC(N)=O)CC1 1722688848 MUJUBKLUBQRBOH-UHFFFAOYSA-N 464.368 1.440 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1722690078 FCULPASCIMRSAE-ZCNNSNEGSA-N 459.639 1.911 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1722695965 WNVXQLWVBDZVTM-IAGOWNOFSA-N 450.551 1.142 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1722725416 OHPXRYRBGQFYTI-QGZVFWFLSA-N 484.586 1.774 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C)n(C)c1=O 1740547031 NDXQVNZMMNCESF-OAHLLOKOSA-N 453.572 1.752 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)N1CCSCC1 1740547651 ZWQLNMASLOITBN-SFHVURJKSA-N 485.639 1.967 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2cccc(OC)c2)CC1 1740550097 HPMLTIPEZZUBHR-YLJYHZDGSA-N 473.599 1.809 30 10 JDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1740565850 JQUZIEKCWMXVTO-LJQANCHMSA-N 474.608 1.779 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740616676 FHYVDVZDPPZMDJ-PBHICJAKSA-N 450.483 1.508 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1740620905 HOGLNWKEYZZENZ-LJQANCHMSA-N 466.567 1.318 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1740624215 GLKZCPBUXHLBFA-GOSISDBHSA-N 459.601 1.351 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1740624564 IBYRBGYMJUMHJK-VQTJNVASSA-N 459.572 1.086 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC2(C)C)n1 1740689142 PWXGMCAIMLAICX-MSOLQXFVSA-N 460.604 1.709 30 10 JDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1740712695 RAHBERMSQNWITN-NRFANRHFSA-N 463.611 1.926 30 10 JDEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(=O)N(C)[C@H](C)C1 1740787204 COICUJYAUFOGMP-MRXNPFEDSA-N 475.619 1.806 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](NC(C)=O)C1 1740986737 GAQAJYUWFIQBNO-MRXNPFEDSA-N 499.435 1.752 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@](C)(CC)C1 1740990553 VSJNKMZVQSRCEF-HSZRJFAPSA-N 486.598 1.798 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1740995174 CLXSCIFCVMKHFR-LJQANCHMSA-N 475.571 1.398 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1740995642 SITXVZNBTUXBKR-IKGGRYGDSA-N 495.568 1.676 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1748699654 QINASLNGYSVGFV-INIZCTEOSA-N 486.602 1.755 30 10 JDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOCC2(C)C)cc1 1748725432 CDCFFNWGZGIQNZ-OAQYLSRUSA-N 454.575 1.911 30 10 JDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1748759603 LIWJXOUNXAYJIP-UHFFFAOYSA-N 483.642 1.818 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCOCC1 1748881104 BXZHGTKMXNQAFY-UHFFFAOYSA-N 471.583 1.200 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2C)nc1 1748962877 SXPNFDIENQUCTJ-IBGZPJMESA-N 469.571 1.204 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CC1 1749066275 JFYHYMSBIKGFMV-FXAWDEMLSA-N 451.593 1.420 30 10 JDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CNS(C)(=O)=O)CC1 1749187620 XDBYCRXAIBHYLS-UHFFFAOYSA-N 471.587 1.534 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)CCCCC)CC1 1749194220 YBYNLULWYDGGGR-LJQANCHMSA-N 482.651 1.852 30 10 JDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1749220223 AVWOCSLRBJQNAQ-FQEVSTJZSA-N 476.603 1.564 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749738820 YKAYFJDDFJVSIV-IBGZPJMESA-N 482.628 1.698 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)Cc2ccccc2C1 1760117517 PTXKYWVOTZQTBF-FXAWDEMLSA-N 457.600 1.874 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2ccc(C(N)=O)nc2)c1 1760128672 PDHPVOXYTUTWCV-GOSISDBHSA-N 459.510 1.380 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1760189806 LXNHLZTUCROWCR-WCAVRKLYSA-N 474.583 1.044 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760190598 XSLCRCKKZDZWHP-INIZCTEOSA-N 475.575 1.277 30 10 JDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(NC(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1760190726 YAVRQJCBQHRRSS-IBGZPJMESA-N 456.572 1.924 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1760192073 QCXXGXQMHGZUGL-OAQYLSRUSA-N 482.610 1.789 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1760192393 IJYBBNVOHGDEPE-JPYJTQIMSA-N 490.582 1.034 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2oc(CC)nc2C)CC1 1760266036 ONGPPKQINSQRKB-XMMPIXPASA-N 470.574 1.803 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCCN2CC)CC1 1760266359 WTGKHMRSLSGITJ-OFVILXPXSA-N 472.634 1.770 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cccnc2OCC(F)F)CC1 1760268033 AUWMWOVGMWALPK-UHFFFAOYSA-N 482.495 1.788 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760325042 OMAMPSRUUYFTEG-DENIHFKCSA-N 491.662 1.981 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)COC)CC1 1760326589 YHGVSNRYUVRDPT-WZONZLPQSA-N 454.575 1.977 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(NC(=O)OC)c2)C1 1760534891 IJEHTKPVMWRFGB-CRAIPNDOSA-N 478.575 1.896 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2ccccc2CO)CC1 1760553745 HHYSAMACLAZEPR-HXUWFJFHSA-N 473.599 1.706 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1760566623 YWDZTXQMMHFMAK-ROUUACIJSA-N 498.675 1.121 30 10 JDEE C=CCSCCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760568222 BWWKTETUWZVFAF-GBXCKJPGSA-N 492.690 1.981 30 10 JDEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)c1cc[nH]n1 1761538917 AHYAIPGFKOPIMM-LSDHHAIUSA-N 454.466 1.439 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1772567167 LGHKMSPKGTWZEO-SQNIBIBYSA-N 462.595 1.902 30 10 JDEE CC(C)(C)OC(=O)N1CCO[C@H](Cn2cc(C(=O)ON3C(=O)c4ccccc4C3=O)nn2)C1 1772794254 FLZVAPMZFPHCFX-ZDUSSCGKSA-N 457.443 1.282 30 10 JDEE C=CCn1cc(OCC(=O)Nc2cc(C)ccc2OC)c(=O)cc1CN1CCN(CCO)CC1 1870424436 JUVBUYGGYFQFHY-UHFFFAOYSA-N 470.570 1.479 30 10 JDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874432670 QZUWCMPRUFZKNZ-LSFURLLWSA-N 477.503 1.094 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1)C1CS(=O)(=O)C1 2076835687 DYEZSLLSOOJJIG-YMAMQOFZSA-N 458.386 1.665 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2255802527 AEZWLTSEOMAROJ-ZDUSSCGKSA-N 453.370 1.808 30 10 JDEE C[C@@H](O)CN(CCNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267180550 GBKSPAALAFYSAI-CQSZACIVSA-N 452.361 1.067 30 10 JDEE COCC1(NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN(C(=O)OC(C)(C)C)C1 2267493431 ITKYHDKTTOZJGU-UHFFFAOYSA-N 450.345 1.085 30 10 JDEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267499506 UVNCYNDKCIQKKU-DZGCQCFKSA-N 466.413 1.800 30 10 JDEE Cc1c(C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267506785 DELCZYRFJOAENC-OAQYLSRUSA-N 452.361 1.033 30 10 JDEE C[C@@H](CCCN(C)C(=O)OC(C)(C)C)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267550462 ZRGBLAPQEMMCFY-AWEZNQCLSA-N 451.377 1.880 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267711229 IESSMYXOLNKOSL-UKRRQHHQSA-N 488.437 1.865 30 10 JDEE CN(C(=O)OC(C)(C)C)C(C)(C)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267715632 ACJYEIZJHIKSAS-UHFFFAOYSA-N 472.417 1.643 30 10 JDEE CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CN(S(=O)(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2267722480 XIHCTQRCWLNGDB-HOTGVXAUSA-N 465.381 1.763 30 10 JDEE Cc1nc(S(=O)(=O)N(C)CCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2267729949 RSQKUIPKLKEYKB-UHFFFAOYSA-N 472.417 1.563 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H](O)C1 2268624792 VMGCFTYJQNGSDD-ZFWWWQNUSA-N 467.397 1.676 30 10 JDEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(O)(CNC(=O)OC(C)(C)C)C1 2282528997 ZNFGDPGWBKOKKP-UHFFFAOYSA-N 463.384 1.909 30 10 JDEE Cn1ncc(C(=O)N2C[C@H](C(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282567380 NIXLLNADPCAJBU-KBPBESRZSA-N 470.326 1.950 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2282859628 ONVVEKCKMWRFNA-ROUUACIJSA-N 473.408 1.009 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337394644 OTNJNTDQSGFEPX-DZGCQCFKSA-N 467.397 1.790 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)CO[C@H]1C2 2359267013 JVEHJHDOQXRYGV-ZCCHDVMBSA-N 460.340 1.330 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@H]1[C@@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C 2359392566 OSOSHWACPUWOGJ-XKQJLSEDSA-N 482.408 1.313 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 2362457841 WAKVVXPCKLZJSP-RBUKOAKNSA-N 452.364 1.445 30 10 JDEE CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(CCO)CC2)SC1=S 33468038 XMMWJNHIKXAEHX-ATVHPVEESA-N 461.613 1.384 30 10 JDEE Cc1ccc(S(=O)(=O)NN2C(=O)C(O)=C([n+]3ccc(Cc4ccccc4)cc3)C2=O)cc1 66324019 ASCDZBCHKUXVNV-UHFFFAOYSA-O 450.496 1.862 30 10 JDEE CC(=O)OC[C@@H]1O[C@@H]2SC3=C(O[C@@H]2[C@@H](OC(C)=O)[C@H]1OC(C)=O)C(=O)c1ccccc1C3=O 504759343 NJUKYOCSAOODHG-QZDOUCJUSA-N 476.459 1.561 30 10 JDEE biogenic C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)Nc2ccccc2C(N)=O)nc1C 586284861 HRMIMRLEDGSIQT-HKBQPEDESA-N 464.525 1.219 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](Oc3ccnc(CN(C)CC)c3)C2)c1 856639892 HRMKYSQZADAWOR-NRFANRHFSA-N 456.568 1.738 30 10 JDEE COC(=O)CCOc1ccc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 1211463958 DSWZOGNVARRNJQ-PBHICJAKSA-N 453.517 1.666 30 10 JDEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1286315002 KOWHGQKKEFCLRL-UHFFFAOYSA-N 484.988 1.909 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1286384805 SRWKUFHBQJBDKA-AWEZNQCLSA-N 493.391 1.322 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1286385443 XLQJAKVNDUDNJV-NZQKXSOJSA-N 495.653 1.469 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286387661 SUNUMNTZSJCNBK-LJQANCHMSA-N 470.599 1.615 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCNC(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1286393251 LDZYCRASAAYOCP-DLBZAZTESA-N 477.612 1.290 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1286394602 JQYPCDLQWMCTDE-MSOLQXFVSA-N 490.655 1.381 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CCN(C(C)=O)CC1 1286439335 PHGJGKDTQHMPSX-UHFFFAOYSA-N 481.626 1.960 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCC[C@@H](C)C1 1286448559 YEKXILHEJQIJLD-MOPGFXCFSA-N 466.652 1.581 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1286456560 SHYHDUFKTPKYPF-MLSMKVKPSA-N 477.500 1.535 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCC(=O)NCc2ccccc2)CC1 1286490917 WYESGNPBOSFGLL-UHFFFAOYSA-N 472.553 1.407 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CN2CCCCC2)C1 1286495813 GEZBEVLRUCQQIJ-QZTJIDSGSA-N 454.666 1.567 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCCC1 1286522634 MNTBZKACGLUWPS-WIYYLYMNSA-N 465.620 1.952 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCS(=O)(=O)CC 1286587683 QWTVKBAVHQPKCB-UHFFFAOYSA-N 455.606 1.642 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1286592572 LPCDWIZZASRRDE-IEBWSBKVSA-N 469.608 1.209 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 1286601716 XOTJERUBMAIIOB-BJLQDIEVSA-N 466.652 1.934 30 10 JDEE C=C(Cl)Cn1c(N2CCC[C@H](CNS(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286635101 JWRZWHYYWOIJME-VQIMIIECSA-N 462.016 1.837 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(C)=O)CC1 1286686574 BALLCKMMCIBXSH-SFHVURJKSA-N 454.597 1.072 30 10 JDEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1286773326 BPKIDTGSTLYTEO-UHFFFAOYSA-N 451.531 1.546 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(CC(N)=O)CC1 1286780857 JSBFRUPDWGXDHG-UHFFFAOYSA-N 453.547 1.541 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1286788005 OGLKFCWTPDIPDK-SFHVURJKSA-N 456.522 1.576 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2nc(CC)ns2)CC1 1286789219 CGDYFYHJQHZICA-UHFFFAOYSA-N 458.617 1.973 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C(=O)NC)C1 1286799697 YWQOBMXNJKSTLX-TYPHKJRUSA-N 471.558 1.566 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1286804119 JAWWSPHIPMYLAW-LJQANCHMSA-N 471.587 1.759 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286816774 LTGUMIKMDSCDRI-INIZCTEOSA-N 453.590 1.344 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1286820003 BMOMSKMYNQIGDV-IBGZPJMESA-N 488.614 1.144 30 10 JDEE C=CCSCCn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286837221 UQZZFPDKVUSCDI-QHCPKHFHSA-N 494.662 1.411 30 10 JDEE CCc1nn(C)c(OC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1292775552 DOTBKJCZKZEEBL-LJQANCHMSA-N 478.557 1.511 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2nccs2)C1 1298096579 FAGWVWUUFRPCKB-KRWDZBQOSA-N 473.584 1.743 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CN(C(=O)OC(C)(C)C)C2)CCO1 1299133014 CLPMUOKOYBUJKW-LJQANCHMSA-N 481.557 1.635 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC(C)CC2)CC1 1300409309 HFDSCFPAMDFEDY-XVAXZDLZSA-N 478.663 1.725 30 10 JDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)N1CCOCC1 1300466323 WBOSQRWVZQVZOR-GOSISDBHSA-N 462.595 1.767 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300504663 PVEHIURDOCZIRU-HXUWFJFHSA-N 459.620 1.252 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCNC(=O)C(C)C)CC1 1300682223 ICWXLFJINVMRJV-UHFFFAOYSA-N 471.993 1.389 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1300685189 JBMFVDDXWBSVDC-NBGIEHNGSA-N 484.576 1.169 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CNC(C)=O)C1 1300756188 IAOXGCHIBQUJPD-SFHVURJKSA-N 479.610 1.911 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1300767703 FDIQJRTZBFCAFE-UHFFFAOYSA-N 474.616 1.474 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NCC)CC1 1301150780 ADRBIMGPIWPMBV-KRWDZBQOSA-N 452.625 1.041 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)O 1301339270 KTBSWHQRMSFCKS-IBGZPJMESA-N 474.587 1.446 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1301507052 UZOPVGJKFQUTNG-UHFFFAOYSA-N 470.549 1.385 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301520372 XDWMIVWOHUMTER-PXAQALGRSA-N 475.594 1.313 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCNC2=O)CC1 1301594604 HJZJMZPKKXZVKX-UHFFFAOYSA-N 456.576 1.839 30 10 JDEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1301601710 HWHQHHVFRYVKDU-UHFFFAOYSA-N 481.626 1.717 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)OC(C)(C)C)CC1=O 1301927359 DCIVUWQWVQSQES-UHFFFAOYSA-N 499.572 1.548 30 10 JDEE CC(C)OCCS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)CC1 1303572414 GWPCJNAZOTUUOT-UHFFFAOYSA-N 498.613 1.475 30 10 JDEE COc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)cc1F 1315468146 HAVVXYOXPZPKEQ-GHTZIAJQSA-N 496.540 1.443 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)cc1F)[C@@H]1CCS(=O)(=O)C1 1358956051 ZAKVBUCEXYDZQD-QGZVFWFLSA-N 498.540 1.748 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1358959287 FXGJUVRTGKNUPN-SFHVURJKSA-N 475.615 1.929 30 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451.531 1.500 30 10 JDEE C#CCCN1CCC(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1 1444694084 ZOFPOZZTVAMPGR-NZSAHSFTSA-N 453.605 1.261 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(Cc4nc([C@@H](C)OCC)no4)CC3)cc2C1=O 1465566562 YGVOIOSIIKESCT-OAHLLOKOSA-N 453.499 1.907 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)n3ccnc32)CC1 1471475350 YHPQEZKZJQZBAI-KRWDZBQOSA-N 456.547 1.445 30 10 JDEE C[C@@H]1CN(c2ccc(Cn3c([C@@H](C)NS(C)(=O)=O)nnc3N(C)[C@H](C)CC#N)cn2)CCO1 1494126646 CHJGMHYESWDQSW-BRWVUGGUSA-N 476.607 1.295 30 10 JDEE COC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CCCCC1 1504053501 BKDFXYHOHKAVGC-LPHOPBHVSA-N 470.571 1.402 30 10 JDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1507590049 VDIVYPBFOXTAKP-UHFFFAOYSA-N 483.642 1.988 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1507623953 ZRLHBBIKOFNULY-QGZVFWFLSA-N 463.991 1.939 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(CCOCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1507632664 OSYDRWUBHZZHRR-MSOLQXFVSA-N 463.604 1.453 30 10 JDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCN(C)S(=O)(=O)CC)CC1 1507728928 XQNJGHVGKNOTPL-UHFFFAOYSA-N 465.649 1.061 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507806361 MZNFQMPEJUAXSL-ONTIZHBOSA-N 457.579 1.462 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1CC 1507820462 DMFMEDJZEXDHQK-RTBURBONSA-N 454.641 1.888 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1507823673 CUTPZUKPGFPKNJ-OAHLLOKOSA-N 452.606 1.878 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1508074383 RYAUOCKHAQGQDC-SFHVURJKSA-N 462.558 1.990 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C2CCOCC2)CC1 1508079097 NYWNOUQVPJLLJS-UHFFFAOYSA-N 484.601 1.956 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(=O)NC)C1 1508121875 AZKKGDDCDYBRAM-IAGOWNOFSA-N 464.567 1.504 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1508144103 BASNDLAQVXWJGC-SJLPKXTDSA-N 498.627 1.862 30 10 JDEE CC(C)c1nc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cs1 1508886943 BYUVXNRLLVNDND-HIFRSBDPSA-N 453.594 1.440 30 10 JDEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1518021855 GDWRLYCNURBKMV-HOCLYGCPSA-N 480.978 1.617 30 10 JDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1539112754 YKGJBKWCHHPUMT-NXHRZFHOSA-N 474.587 1.813 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1539202021 FBVJBHJSOABUTR-IBGZPJMESA-N 464.551 1.909 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N(CC)CC)nc1)[C@@H]1CCS(=O)(=O)C1 1539222701 XCLCLKTVVPSCMN-RTBURBONSA-N 485.614 1.145 30 10 JDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCc1ccc(S(N)(=O)=O)cc1 1539333682 KFABXSHWYROQJC-UHFFFAOYSA-N 496.618 1.623 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCN(CC)CC1 1539350291 GRFPNVMGZMFDTC-UHFFFAOYSA-N 458.632 1.836 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)NCC(F)(F)F)CC1 1539434876 WUMJDGKINWVBNR-UHFFFAOYSA-N 472.418 1.980 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)C(=O)NCC)CC1 1539473833 DEWRFNTVLOXKAD-UHFFFAOYSA-N 494.596 1.844 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN1S(C)(=O)=O 1539665832 GBQZVCKLEHIYQV-OAHLLOKOSA-N 450.565 1.832 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1539706960 YFAZLVILTHWFDO-SJORKVTESA-N 481.648 1.527 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc3ccccc3o2)CC1 1539729327 HXEXMBTWXMTLCG-QGZVFWFLSA-N 489.602 1.949 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1539751242 JBWJOCYXAFAMNU-SFHVURJKSA-N 479.628 1.797 30 10 JDEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1540854928 OCPQIOAXAJTGLJ-UHFFFAOYSA-N 456.547 1.129 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)N1CCOCC1 1540858133 IDZGQPVWYFJPOR-INIZCTEOSA-N 450.540 1.068 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)NCCC)CC1 1540871456 MDHVQCVATBBVFS-FQEVSTJZSA-N 468.558 1.835 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1540941968 BOGSIUCAJMNFLH-BZHIBMDNSA-N 471.562 1.003 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)c1 1545118184 ZDEOAEOPFDQAKW-IAGOWNOFSA-N 458.540 1.568 30 10 JDEE CNC(=O)[C@H]1CN(S(=O)(=O)c2c(C)noc2C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367888 UHEOUUTUVQDPOD-MRXNPFEDSA-N 471.461 1.807 30 10 JDEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1552692238 ANYQFHHVDBYEDO-UHFFFAOYSA-N 494.600 1.981 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C(C)C)CC1=O 1555597027 GICJIMZFDYQKEW-QHCPKHFHSA-N 456.547 1.431 30 10 JDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](Cn1ccnc1)C(=O)OC 1558969388 DQCVRDLFBNLUDK-AWEZNQCLSA-N 451.277 1.653 30 10 JDEE COc1ccc(CN2CC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2=O)cc1 1565746138 FJBOCSPSRXXTFY-FOIQADDNSA-N 456.524 1.151 30 10 JDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1587870308 ZDJNURCHNXRLGA-UHFFFAOYSA-N 455.588 1.838 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1588029077 DDHRTNCJIJTXRI-YTQUADARSA-N 465.620 1.638 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1588034945 NRNJVWYWKKZDNC-XMSQKQJNSA-N 465.620 1.041 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1588035802 XXBCDLJRGXKCMD-IUKKYPGJSA-N 492.573 1.989 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1588070096 WLTWOIOUEATZQU-IEBWSBKVSA-N 491.520 1.780 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@](C)(O)CCC(C)C)CC1 1588780137 IIFMWQBFZMGUGP-XMMPIXPASA-N 463.590 1.863 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2(S(C)(=O)=O)CC2)CC1 1588865568 XQHKTOKEXDFQOB-UHFFFAOYSA-N 457.600 1.806 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](CC)OC)CC1 1588899740 VRMZKNYUFREUJF-IBGZPJMESA-N 473.599 1.739 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCS(C)(=O)=O)CC1 1588899809 WVCPJFLJYKDFQB-UHFFFAOYSA-N 482.610 1.997 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@H](C)N2CCCCC2)CC1 1588923810 MOVKGZSCOIHSFM-IBGZPJMESA-N 452.607 1.909 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@]2(N(C)C)CCSC2)CC1 1588930381 UYDNCNVWECKKBH-WMZHIEFXSA-N 460.648 1.575 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC[S@](=O)C(C)(C)C)CC1 1588955441 XBWAIADLVZCTHV-YTTGMZPUSA-N 456.616 1.777 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1595497208 TZPDWWANICHAFL-GOSISDBHSA-N 483.598 1.768 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](Cn2cccn2)C1 1595785313 WUEGYPZJBDKATN-GOSISDBHSA-N 472.571 1.656 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1595824075 WPIMZGVRTFTKGT-KRWDZBQOSA-N 461.588 1.687 30 10 JDEE Cn1cc(-c2nnc(N3CCN(c4ccc(C#N)cc4F)CC3)n2CCS(C)(=O)=O)cn1 1618396308 AITSQZHJMIKTGD-UHFFFAOYSA-N 458.523 1.061 30 10 JDEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(CCOC)c2)C1 1618654202 IDTTYRAPKMPAEG-FQEVSTJZSA-N 478.557 1.582 30 10 JDEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1622711148 DXHYFGOTQODHLS-XLIONFOSSA-N 466.560 1.009 30 10 JDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 1634781869 AYUNMMOQADYUNI-JKSUJKDBSA-N 450.001 1.744 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccc(Cl)c(F)c2)c2nn[nH]n2)c1 1638159792 NWECPOLPJPHGJL-INIZCTEOSA-N 450.883 1.976 30 10 JDEE C#CCn1ccc(CN(CC)[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 1658505186 RVHORUAMIZWZKP-GOSISDBHSA-N 459.572 1.386 30 10 JDEE C#CCN1CCC(NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)CC1 1666519419 DIGAFSZNRPZIEH-UHFFFAOYSA-N 450.561 1.325 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)cc1 1667955787 DTERNUIUGCSLQJ-MRXNPFEDSA-N 450.483 1.878 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1689977715 BGZWBWLKXPAIST-SFHVURJKSA-N 485.614 1.427 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCN2C(=O)NC3(CCCC3)C2=O)CC1 1690110347 IGDCEIWTGPNPHJ-UHFFFAOYSA-N 498.632 1.206 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(=O)N(C)CC)CC1 1690144395 XMPYVKCFVJEOFQ-UHFFFAOYSA-N 476.541 1.038 30 10 JDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1690167366 HHJUOLBIHDTEJT-LJQANCHMSA-N 453.616 1.839 30 10 JDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1690284596 KJNQORDQSVCASA-SFHVURJKSA-N 478.601 1.805 30 10 JDEE C=C(C)Cn1c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1690298489 ZOABGYLTYBXPAE-YKSBVNFPSA-N 454.575 1.855 30 10 JDEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C(N)=O)CC1 1690309842 LTDNRSHOVXHPLN-UHFFFAOYSA-N 465.558 1.969 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690662044 PIDZODSHWULDNX-INIZCTEOSA-N 473.379 1.525 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)OCC(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1690677925 FBKMKOIFJRXSEI-JOCHJYFZSA-N 464.567 1.147 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1690714899 XVEIIFDWWSQACU-SFHVURJKSA-N 481.541 1.547 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCCC2)CCOCC1 1691003276 FHPSZIQVFBKBAG-ZWKOTPCHSA-N 450.609 1.421 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-n1ccnc1 1691003298 FQBAEDSRZJIMAF-PXNSSMCTSA-N 484.586 1.441 30 10 JDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)CC1 1697011072 HKAUACQSEXXNQP-UHFFFAOYSA-N 452.563 1.389 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1705524405 LJVLWUNUZCJRPX-GOSISDBHSA-N 488.614 1.663 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1705552054 VCFUNXGDKBBTHX-QGZVFWFLSA-N 482.607 1.080 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1705560520 LFVGVNODPNCPHO-OAQYLSRUSA-N 495.609 1.979 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705560665 JDPYHSNOHVFCMF-IEBWSBKVSA-N 471.583 1.495 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705569285 AYEBANDRUGGFMR-FQEVSTJZSA-N 472.615 1.001 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)COc2ccccc2OC)CC1 1705638157 ARAVMXJWSYXAOD-OALUTQOASA-N 452.559 1.708 30 10 JDEE C=CCCCn1c(-c2cccnc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705815800 JVFLPMWKJBUCPH-UHFFFAOYSA-N 456.576 1.859 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1705905313 QZZJXRZWSDVNJX-INIZCTEOSA-N 469.571 1.411 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1705916293 OJCPYPWHXSDVFW-OWCLPIDISA-N 480.557 1.554 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1705937556 XMTILQIGFJJVEQ-JOCHJYFZSA-N 461.588 1.639 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1705937602 YSSIEJBOZYSIPU-UHFFFAOYSA-N 470.555 1.420 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2C)CCO1 1706054714 GTRNXEPZBHJSGK-RBDMOPTHSA-N 468.558 1.743 30 10 JDEE C[C@H](CC#N)N(C)c1nnc(COc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1706751060 FEVDPJUCQONHFB-OAHLLOKOSA-N 451.524 1.674 30 10 JDEE CN(C)C(=O)COc1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)c1 1710990532 HKPGRSOQXWEDRU-LJQANCHMSA-N 490.524 1.169 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC(C)(C)C(=O)NCC)c1 1722309211 LCBLXLLNRBSNBX-UHFFFAOYSA-N 462.558 1.897 30 10 JDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1722346853 AXAMOMXITMDKDR-KRWDZBQOSA-N 461.452 1.253 30 10 JDEE C#CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CCC)[C@@H]1CCS(=O)(=O)C1 1722362374 TUKAANYSEMMJCM-OAHLLOKOSA-N 450.590 1.275 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(S(=O)(=O)NC)c1 1722383673 WDGYEWNLECHSDY-UHFFFAOYSA-N 473.562 1.546 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccc(F)cc1 1722384972 WUDFFMDNGFWILU-FXAWDEMLSA-N 475.546 1.290 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1722412813 FGJYFKYWWWADMP-ICSRJNTNSA-N 471.583 1.806 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[S@@](=O)C(C)(C)C)CC1 1722440355 DNZGXCXAALJPME-MGBGTMOVSA-N 478.663 1.710 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(C(N)=O)c2)CC1 1722444456 YKYSTLWHFOXXHL-RUZDIDTESA-N 480.569 1.043 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1722448382 SSRUVQVQHNIZQB-QUCCMNQESA-N 455.607 1.315 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSCCS1)C1CC1 1722651018 OXUKDAAENCUXFF-HOTGVXAUSA-N 459.663 1.614 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1722692841 YJPGXXQSEJUOBR-SFHVURJKSA-N 465.558 1.306 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1722705202 CBJSLWORJGMDEW-RBBKRZOGSA-N 468.602 1.933 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722730149 JZEKNPSNIMWCMD-UHFFFAOYSA-N 464.592 1.132 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)N1CCCCC1 1722867566 GYSADTWXHUGRLM-QRVBRYPASA-N 467.640 1.471 30 10 JDEE CCS(=O)(=O)NCCn1c(CC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1729226988 FPZFHHCKMNOLMC-UHFFFAOYSA-N 463.583 1.753 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740615958 OTAKODLTDCEMIG-OTWHNJEPSA-N 479.647 1.884 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cn2cccn2)c1 1740656875 OCDAEINQKDGBPI-QFIPXVFZSA-N 462.579 1.936 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1740690659 YWHVKAJXHQRXSI-DEOSSOPVSA-N 463.517 1.727 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC2(O)CC(OCC)C2)CC1 1740700152 HPGBQPIXNZEULV-UHFFFAOYSA-N 455.559 1.551 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2CCC(=O)N(C)C)CC1 1740704683 WFWXAGRMFTZNOP-UHFFFAOYSA-N 459.554 1.937 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1OC 1740900454 YKXLNEBODWJBRN-QFBILLFUSA-N 465.576 1.709 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1c1cnn(C)c1 1740932558 QOFIWQSOSCAYJI-UYAOXDASSA-N 490.634 1.192 30 10 JDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 1740942986 XWZANAHDESIHRS-KGLIPLIRSA-N 450.569 1.218 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1740955501 WIQUYKYAWHFHLD-LJQANCHMSA-N 452.559 1.999 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1740961578 FMFAAFCAVNFIJM-FQEVSTJZSA-N 451.531 1.491 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1740962067 RLBXXCZLEUUUSN-UHFFFAOYSA-N 450.547 1.493 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccnc2-n2cccn2)C1 1740972496 JEVABKWDWGXUNR-FUHWJXTLSA-N 472.575 1.299 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2cccc(OC)c2)C1 1740982363 TUXXNOQZWYSZCQ-AZUAARDMSA-N 489.598 1.400 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1740990812 FZBALXJKLZWBAT-RTBURBONSA-N 453.609 1.279 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740994637 QWWJRRTVTSUBQX-UHFFFAOYSA-N 481.644 1.136 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1741015142 IZDCYTVLONSZQA-FCHUYYIVSA-N 468.558 1.716 30 10 JDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCNC(=O)c1cccc(OC)c1 1744696208 AXSZINWKCQFQOA-QGZVFWFLSA-N 475.557 1.656 30 10 JDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1747623129 FBKHKQDRDHLTCC-QGZVFWFLSA-N 470.580 1.932 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(CS(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1748812337 STMBSFVLZRSGAJ-HXUWFJFHSA-N 499.618 1.560 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCOc1ccc(S(C)(=O)=O)cc1 1748886657 KPAPBFZYRAYSHV-UHFFFAOYSA-N 450.524 1.681 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1CC1(O)CCS(=O)(=O)CC1 1748894972 MNJNELQZQAYNFX-UHFFFAOYSA-N 460.987 1.925 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1748979838 OWQKOMBKXFMJIA-AVRDEDQJSA-N 455.559 1.769 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(C)CCOCC2)CC1 1749001126 JHYKURFDHLPQSS-UHFFFAOYSA-N 458.607 1.979 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(C(N)=O)c2)CC1 1749015894 REENWDWNXOYFKW-UHFFFAOYSA-N 474.569 1.253 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1749023271 QONADCIZSSBWDQ-JKSUJKDBSA-N 470.665 1.386 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749134251 WPYVSDBFUMECLX-LZKITUNOSA-N 461.588 1.975 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCc2nccn2C1 1749574848 GSSABJDBKJZUMI-MSOLQXFVSA-N 461.592 1.249 30 10 JDEE C=CCn1c(-c2ccccn2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1749622803 WSBDIVWXIQTRPM-OIISXLGYSA-N 460.560 1.653 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(Cc2ccccc2)CC1 1749630656 WJMXRKAFRGYRCW-FQEVSTJZSA-N 460.604 1.509 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(F)(F)F)C1 1749735717 VFIOIXCTGIEYHS-KBPBESRZSA-N 470.539 1.560 30 10 JDEE CC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H](C)C1 1749875413 BPFZVRGOVNNUJD-BDCXDAITSA-N 499.616 1.780 30 10 JDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C[C@H](C(F)(F)F)O1 1752317840 CBARCAHZKOQMMN-RHSMWYFYSA-N 464.448 1.832 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCOC[C@@H]2C)c1 1760126333 VIVCVPGYSKEPJF-JENIJYKNSA-N 488.614 1.617 30 10 JDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1760128053 WGMZFZWBCGEKFQ-PZJWPPBQSA-N 455.607 1.306 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1760130884 NFURAQQNRMITNP-ZIAGYGMSSA-N 464.514 1.197 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1760189071 NDNFXYGFNYQXNR-QGZVFWFLSA-N 457.585 1.760 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1760191547 JKPAUJHUANDILG-HXUWFJFHSA-N 468.583 1.997 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCn2cc(Cl)cn2)CC1 1760260911 HMIUGGQJKMRIHW-UHFFFAOYSA-N 458.979 1.575 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1760321092 BNCBSMSMUAJZRC-ICSRJNTNSA-N 455.625 1.699 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1760526690 RPPCWJOJDGOEBQ-FQEVSTJZSA-N 462.514 1.342 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)c1ccco1 1760689964 IDSTVVHNEHSZMQ-MRXNPFEDSA-N 485.570 1.814 30 10 JDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1768451047 GQFCOGDKFGZGAF-UHFFFAOYSA-N 463.546 1.715 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccco1 1768637548 GKGRJBCHMPDONB-IBGZPJMESA-N 456.528 1.760 30 10 JDEE COC(=O)N1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CC1 1769462164 APHUFLYYWJZFAQ-GOSISDBHSA-N 464.592 1.789 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1772660384 JEVFWJBJWWADMJ-INIZCTEOSA-N 493.586 1.840 30 10 JDEE C=CCn1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc2c(N3CCN(c4ncccn4)CC3)ncnc21 1873562786 STMQJVLXTVWNRD-QZTJIDSGSA-N 462.558 1.983 30 10 JDEE CCCNC(=O)CSc1nnc(CCOC)n1/N=C/c1cc(OC)c(OC)cc1OC 1874472207 RFHNUQFSJDNPGU-WSDLNYQXSA-N 451.549 1.993 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3nnn(-c4ccccc4F)c3C)CC2)CC1 1889600583 GVELTRXDVIBCFM-UHFFFAOYSA-N 468.577 1.977 30 10 JDEE N#Cc1ncccc1OCC1CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1892219236 FEIHNMJFFXSYJU-FQEVSTJZSA-N 485.522 1.942 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1)C1CS(=O)(=O)C1 2076837228 LFDGOYLIPTZHAG-OAHLLOKOSA-N 458.386 1.475 30 10 JDEE C=C(CS(=O)(=O)N1CCC(O)(CNC(=O)OC(C)(C)C)CC1)B1OC(C)(C)C(C)(C)O1 2255801961 SMONXAQROJRLSO-UHFFFAOYSA-N 460.402 1.855 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2267172607 XKDUIHWYHYNUOH-MYPMTAMASA-N 465.381 1.853 30 10 JDEE COC1(CNC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267526788 XTIGLTQKENWQEU-UHFFFAOYSA-N 450.345 1.085 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268693358 QQEKNURNGHFCKQ-UONOGXRCSA-N 467.397 1.988 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)n1 2282499148 ARVQSHMRWZITNN-OALUTQOASA-N 472.420 1.614 30 10 JDEE Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c1B1OC(C)(C)C(C)(C)O1 2282556310 GEWAZGXGNWRKLS-GOEBONIOSA-N 464.372 1.067 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2282582358 VOXNDBHAOODOBH-SCAQPMJSSA-N 460.384 1.965 30 10 JDEE CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282675139 TWWOMVASJORCHV-DEOSSOPVSA-N 452.364 1.485 30 10 JDEE Cc1cc(S(=O)(=O)NCC2(NC(=O)OC(C)(C)C)COC2)ccc1B1OC(C)(C)C(C)(C)O1 2282828381 NIMKXCXBFAFHCV-UHFFFAOYSA-N 482.408 1.866 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)[C@@H](CO)C1 2282974291 GLBUYOAIDZMQLH-MRXNPFEDSA-N 462.352 1.745 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)NCc3ncc(B4OC(C)(C)C(C)(C)O4)s3)[C@@H]2C1 2284017647 IDVBGMXFPCOXAS-ZNMIVQPWSA-N 479.408 1.940 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(COCc2ccccc2)(C(=O)O)C1 2284386878 JGGVFJAXWNGUDA-UHFFFAOYSA-N 455.320 1.463 30 10 JDEE C[C@H](OCc1ccccc1)[C@@H](NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284417475 LQBXAVHTYKZHIL-HNAYVOBHSA-N 476.360 1.718 30 10 JDEE CCN1C(=O)[C@]2(C(=C(O)c3ccc(C)o3)C(=O)C(=O)N2CCN2CCOCC2)c2ccccc21 2296144895 JUTOCFPSMFNQMK-RUZDIDTESA-N 465.506 1.863 30 10 JDEE COc1cccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2nccs2)c1O 2330747983 DLZZNAGGBAAZIE-UHFFFAOYSA-N 461.529 1.698 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](CNC(=O)OC(C)(C)C)OC)n1 2339943432 OBJXXMCGIXEVEI-CQSZACIVSA-N 452.361 1.472 30 10 JDEE Cc1cccc(C)c1NC(=S)N/N=C1\C(=O)N(C)c2ccc(S(=O)(=O)N3CCOCC3)cc21 102765911 RBSVHSAYVCSWPP-GFMRDNFCSA-N 487.607 1.991 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)C(C)(C)S(=O)(=O)c2ccc(Br)cc2)CC1 523559550 BEQORMJLGUWPOO-UHFFFAOYSA-N 472.405 1.448 30 10 JDEE COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(Cc3ccccc3)c2=O)oc1C 613076443 ZWCAIQJEVBPMFI-UHFFFAOYSA-N 493.541 1.008 30 10 JDEE N#C[C@H](C(=O)CCn1ccccc1=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 916947646 ACFKSEYKPOJOQK-LJQANCHMSA-N 456.524 1.761 30 10 JDEE C#CCCNC(=O)NCCNS(=O)(=O)c1cc(Br)ccc1Br 1221773248 KWZWBLLEDORQJP-UHFFFAOYSA-N 453.156 1.812 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1286298644 MXHACXKUCWPVLE-SCTDSRPQSA-N 458.588 1.307 30 10 JDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1286312650 XRVBDTMRUJMPIC-UHFFFAOYSA-N 454.579 1.600 30 10 JDEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286357470 VNIBZIKGTAGUTJ-UHFFFAOYSA-N 487.004 1.905 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286382342 QZEHKCJJPAFFJF-HXUWFJFHSA-N 485.610 1.701 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1nc(C(F)(F)F)cs1)[C@@H]1CCS(=O)(=O)C1 1286390067 WAQZKIKANALPPF-VXGBXAGGSA-N 488.517 1.380 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOC1CCCCCC1 1286431965 USIBXJFNBCUOCR-NRFANRHFSA-N 477.631 1.813 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(CS(C)(=O)=O)CC2)CC1 1286494199 SPLAZRNICVZYOZ-SFHVURJKSA-N 463.604 1.310 30 10 JDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1286609904 UKCUDCNEEYUOPK-NRFANRHFSA-N 467.618 1.990 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cscn2)CC1 1286688666 SGTVJXSHTPJYCA-LJQANCHMSA-N 495.675 1.746 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)C)C1 1286712129 SIBKMCLLNADWBO-ZWKOTPCHSA-N 457.597 1.065 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1286787120 ORDYMTGPDURDLV-UHFFFAOYSA-N 464.505 1.068 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccccc2C#N)CC1 1286789617 GSPGFLFKSRMVGT-UHFFFAOYSA-N 459.558 1.640 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC2(CCC2)C[C@H]1CC 1286816938 IZKCVRQOTUUQEE-JKSUJKDBSA-N 459.638 1.648 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1286825087 LKZRKHLKZLSHRF-IAGOWNOFSA-N 453.609 1.862 30 10 JDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(S(=O)(=O)NCCN(C)C)c1 1296210837 UHGWAABBKRKRMJ-SFHVURJKSA-N 452.577 1.772 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300495404 HBDSOYTVYLDAOK-RTBURBONSA-N 466.629 1.697 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccsc1 1300577829 CMDIUCTWEJNMHR-WIYYLYMNSA-N 477.612 1.043 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC[C@H]1C 1300631663 VHIQJLUIAJJUMC-MOPGFXCFSA-N 452.625 1.335 30 10 JDEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@H](CC)OC)CC1 1300686273 ZEWVZDKAYAEQSZ-SFHVURJKSA-N 459.620 1.727 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC(=O)NCC(F)(F)F)CC1 1300723221 QJDJWPINRRDXQL-OAHLLOKOSA-N 456.469 1.164 30 10 JDEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1301087277 ZMTLDVBFHXSLAE-VGSWGCGISA-N 497.618 1.293 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1301457848 DLRGTEVVADJDIY-KRWDZBQOSA-N 496.540 1.038 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1301475504 UMJGFFOVABETAF-UHFFFAOYSA-N 475.594 1.700 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1301515377 UJKDZWPQIILHQC-LJQANCHMSA-N 452.559 1.923 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCOCC3(CCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1301596432 OSXIIDFCJQLADK-QFIPXVFZSA-N 468.620 1.926 30 10 JDEE CC(C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1303275581 DSKQGOZAHGAZIL-LEWJYISDSA-N 472.615 1.970 30 10 JDEE C=CCOc1cccnc1C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1355871252 MSFLHSRFEMWSSB-HNNXBMFYSA-N 451.526 1.364 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2cc(F)ccc12 1358890752 VEFUQPORPQONAY-FOIQADDNSA-N 474.562 1.932 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCNC(=O)c2ccco2)c1 1358901942 AUPXLADXEAJEAM-UHFFFAOYSA-N 472.509 1.758 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1358930474 WFDRXZBOIHAKTK-HXUWFJFHSA-N 490.674 1.507 30 10 JDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(S(C)(=O)=O)CCC1 1358940062 MXIPQNLXTMSFIB-UHFFFAOYSA-N 464.617 1.583 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1358955411 LLDVDYUZXQVARL-IBGZPJMESA-N 473.599 1.684 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1358959940 SIVOZOCWOFILGM-MSOLQXFVSA-N 492.623 1.405 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](CC)NC(=O)OC(C)(C)C 1358984587 BKBCDTOPJCVTEQ-IRXDYDNUSA-N 466.608 1.655 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359007540 MUVHBELHSTVQDQ-GOSISDBHSA-N 497.625 1.977 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(=O)N2CCOCC2)CC1 1359042578 LVQNVTHKGVQNRQ-UHFFFAOYSA-N 470.961 1.423 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1359121996 RTTUMSPFXLXHCL-HZPDHXFCSA-N 451.553 1.263 30 10 JDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](COC)C1 1359131286 OGAFNILZLAEEJN-KRWDZBQOSA-N 454.531 1.636 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1359173379 DRBPEVXQOUCJQX-MJGOQNOKSA-N 454.641 1.648 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1359223781 WEYHWXJFONOMEZ-GOSISDBHSA-N 490.630 1.845 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1359295130 QSIBAASRSWVVOU-UHFFFAOYSA-N 484.582 1.801 30 10 JDEE C=CCNC(=O)Cn1c(N2CCCN(c3nccs3)CC2)nnc1[C@@]1(OCC)CCOC1 1359305558 GRYCBKDFRINSFF-OAQYLSRUSA-N 461.592 1.406 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)[C@@H]2C)cc1 1359306856 SGWRIFXVNDTOFQ-HOTGVXAUSA-N 462.576 1.168 30 10 JDEE C=CCN(C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1)[C@@H]1CCS(=O)(=O)C1 1476347314 VJRFFHKITOIIEN-MRXNPFEDSA-N 453.542 1.965 30 10 JDEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1504850876 IDUWYYCOQCNFDI-UHFFFAOYSA-N 463.590 1.845 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1507563235 DRYGPYGGKCEYOO-FQEVSTJZSA-N 478.663 1.364 30 10 JDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507580311 ZWKNEEKEGPJETH-UHFFFAOYSA-N 480.569 1.647 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1507632576 NPSPEXBYBPEXQO-VXKWHMMOSA-N 499.637 1.743 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1507632851 QFFXGAASOFEDTI-RBUKOAKNSA-N 492.623 1.251 30 10 JDEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(C(N)=O)CCCC1 1507704021 MPNFUSUSXSKNAD-UHFFFAOYSA-N 487.630 1.678 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NC)CC1 1507804385 JMZBKZXILVGZSX-HKUYNNGSSA-N 453.547 1.869 30 10 JDEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1507824876 LPDDZKORRMTFKQ-INIZCTEOSA-N 467.596 1.131 30 10 JDEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 1507829697 ACTDLKGUVTUQNJ-UHFFFAOYSA-N 464.574 1.509 30 10 JDEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCS(=O)(=O)NC)CC1 1507883870 BEIGDRFEGPRZBT-INIZCTEOSA-N 470.596 1.292 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)CC 1508002682 LKKUVWRVCQIUCN-GOSISDBHSA-N 452.602 1.808 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1508072212 CODZUAVQZAJOQS-AWEZNQCLSA-N 461.320 1.747 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)O[C@H](CC)C1 1508087903 QSEADJILRFTCQL-HZPDHXFCSA-N 451.531 1.498 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1508092568 RIHMLJXRTVLARX-UHOSZYNNSA-N 459.572 1.449 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN([C@@H](C)C(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1508097337 HZMMGOUBCNCXPQ-KXBFYZLASA-N 460.501 1.305 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1519163881 FOBRKWOZVOLOEI-IAGOWNOFSA-N 489.598 1.927 30 10 JDEE N#CCC1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1521148696 FIWOBXWZHSORIH-NRFANRHFSA-N 463.535 1.676 30 10 JDEE N#Cc1ccccc1N1CCC(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CC1 1534734587 FRVFFFDEKVPCDR-UHFFFAOYSA-N 454.552 1.978 30 10 JDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(CCOC)c1 1539178933 MTTZYQPLPAVXDP-GOSISDBHSA-N 459.551 1.547 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1539219493 DADJPTIXQXDRGW-LEWJYISDSA-N 485.610 1.401 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1539230126 KJDXKDQDAPDMSX-JTSKRJEESA-N 491.639 1.711 30 10 JDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1539752217 GFGLJCAMJUMFPZ-UHFFFAOYSA-N 454.575 1.932 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1540863276 SJUMYPYNOKPRQG-OLZOCXBDSA-N 456.519 1.666 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(N3CCN(C(C)C)CC3)CC2)nnc1[C@]1(OCC)CCOC1 1540875928 BXLHVEJYHAPJPV-VWLOTQADSA-N 489.665 1.227 30 10 JDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CCN(C(=O)OC)CC1 1587970079 NMGRUEPEMGDJTP-UHFFFAOYSA-N 459.576 1.786 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCCN1CCCCCC1=O)[C@H]1CCS(=O)(=O)C1 1588049508 HLLANBLPHSVPRD-FQEVSTJZSA-N 470.599 1.760 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588069504 PLNODGXRAXGRQY-CVDCTZTESA-N 477.631 1.359 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)C(=O)OC(C)(C)C 1588181067 NXDAHNKQSFWHBA-INIZCTEOSA-N 452.581 1.218 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCOCCN(C)C)CC1 1588762291 GBHJYRYOQLWTCR-UHFFFAOYSA-N 464.412 1.380 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cn(CCCCC)nc2C)CC1 1588865643 ZOGZWHJYWRZNCZ-UHFFFAOYSA-N 452.607 1.899 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1588947607 RQUCDLCHKHQPSH-JOCHJYFZSA-N 492.672 1.503 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1589484972 WTWKYWLUGKSUEY-BZSNNMDCSA-N 473.578 1.164 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1589559182 NZEYCZYJRLASOL-SRYPRDQNSA-N 460.623 1.927 30 10 JDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1594812882 MBSOMQBLWRGCAS-HXUWFJFHSA-N 462.595 1.093 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1594962127 ITRSHXLXDZQTPS-LEWJYISDSA-N 490.630 1.134 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1595490314 PPALOKHEHALPIC-AWEZNQCLSA-N 485.408 1.362 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1595570086 WXTKOYRRXMJNMX-UHFFFAOYSA-N 486.580 1.967 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(S(C)(=O)=O)CC2)cc1 1595613851 JFSCEPUSVRZVFX-IBGZPJMESA-N 459.572 1.856 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(O)c2)C1 1595730341 VUBYEXPNMOBASS-RBUKOAKNSA-N 463.560 1.146 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCNS(C)(=O)=O)C1 1595754092 LCTXAGFGRMUXMT-BBWFWOEESA-N 484.623 1.379 30 10 JDEE C#CCN1CCC[C@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)C1 1595789820 CCZIQOBDAVRKKX-BQFCYCMXSA-N 453.992 1.965 30 10 JDEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1615046310 CNSMHCXWVVZWFO-UHFFFAOYSA-N 473.603 1.593 30 10 JDEE COCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(c3ccc(C#N)cn3)CC2)CC1 1619782490 AVRIVAQVFVZATP-KRWDZBQOSA-N 488.618 1.298 30 10 JDEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 1630719624 FQBGAHSJBFRSHC-INIZCTEOSA-N 450.517 1.139 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)CC1 1670558881 BONRIJKCMKRNOR-UHFFFAOYSA-N 454.915 1.341 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC(C)C 1689853529 VCQBOJJQOLQDJF-DLBZAZTESA-N 484.623 1.372 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC2(O)CCOCC2)c1 1689871794 FMSMKNFDPKRRIO-UHFFFAOYSA-N 460.538 1.862 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCC[C@@H](C)C1 1689966285 OLFHHYWJIGQSAA-MSOLQXFVSA-N 452.625 1.191 30 10 JDEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCS(=O)(=O)CC=C)[C@@H]1CCS(=O)(=O)C1 1689987948 GIMSRLQFFLMCHT-QGZVFWFLSA-N 487.607 1.654 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc([C@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1689993638 IVLLAZYUAFQCTJ-PXNSSMCTSA-N 471.583 1.129 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1690006566 SVOYCMMFJYMZRY-GBXCKJPGSA-N 483.594 1.606 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCCC1 1690047597 UYSBFLFBAXOTRA-KRWDZBQOSA-N 452.602 1.001 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCCN2CC)CC1 1690136730 IURXEFQKRDQQKA-FQEVSTJZSA-N 478.601 1.766 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccco2)C1 1690175284 UBPATEYNZBVQCZ-FUHWJXTLSA-N 465.601 1.564 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@H]1COCCO1 1690196602 QNUFULUZFOQMAP-WMZHIEFXSA-N 473.599 1.993 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1690239650 ZDKAQGCZXRQFHH-LRSLUSHPSA-N 490.649 1.726 30 10 JDEE C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1690275203 YUBOLGRQBSNETG-GOSISDBHSA-N 486.548 1.641 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CCCC2(C)C)CC1 1690375420 KQOQFOJWDNEQAK-DYESRHJHSA-N 453.609 1.709 30 10 JDEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCO[C@H]1C)C1CC1 1690539615 GLIUIQFRQHKIRZ-AOMKIAJQSA-N 461.588 1.890 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1690622775 XWTPPMAVCCEXNV-INDMIFKZSA-N 453.609 1.686 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1690632542 BQVKXHIEMVLJIE-UHFFFAOYSA-N 484.586 1.507 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1690644545 RTJXNXJREXJNKH-QZTJIDSGSA-N 496.659 1.368 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(CC2CCOCC2)CC1 1690677145 OXMXOPDADNVKPH-UHFFFAOYSA-N 472.565 1.847 30 10 JDEE C[C@H]1CN(CCN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)C[C@@H](C)O1 1693873912 DMEZYCHNSBFDLF-XZWCOCNFSA-N 484.601 1.814 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N2CCOCC2)nc1 1694352478 CCLXTUVXNWSFHB-LJQANCHMSA-N 468.562 1.205 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705563487 YPXPQRPJYGZDCG-HNNXBMFYSA-N 485.488 1.259 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 1705567598 XMWHWFWUDSGFPW-ROUUACIJSA-N 480.587 1.303 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCNC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1705568097 HODXRGDPQNAAOF-IBGZPJMESA-N 497.577 1.815 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1705570900 VJCXATBGEOCVDS-NRFANRHFSA-N 456.616 1.765 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1705645111 LFHWUISADRFJFR-UQBPGWFLSA-N 486.617 1.199 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1705649250 QKHQDZRPWAGVHJ-UHFFFAOYSA-N 473.581 2.000 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)CC1 1705708436 CJERGLKBPJGGJQ-FXAWDEMLSA-N 458.588 1.919 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccc(F)cn2)CC1 1705907718 VDNQZUGMIYKOEH-UHFFFAOYSA-N 484.561 1.433 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCCN(C(=O)C(C)C)CC1 1705908143 JNUYSWAEKYBQLD-UHFFFAOYSA-N 470.574 1.863 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CO)CC1 1705934622 RIJDZMZOPMKSMS-UHFFFAOYSA-N 458.544 1.403 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1705947088 ZOIPZYJEIHGITL-SQNIBIBYSA-N 471.649 1.393 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCCCC2)CC1 1722316171 CWHHCMRAUBEPJK-NRFANRHFSA-N 478.663 1.869 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1722362587 NQQFYALQVPUMJH-UWJYYQICSA-N 452.584 1.926 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](N1CCOCC1)C(F)(F)F 1722383879 YIOPVLIQOKJSGH-IBGZPJMESA-N 471.487 1.853 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCCCC3)nc2)CC1 1722428883 CINIWGCGYJSINN-UHFFFAOYSA-N 450.591 1.605 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1722436683 KREHZKYTSRFSBP-VQTJNVASSA-N 454.550 1.411 30 10 JDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722479162 FZCQTWKFIYEIJP-HZPDHXFCSA-N 492.440 1.915 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(CCOC)no1 1722482436 IDXBRVUNGAGUEE-LBPRGKRZSA-N 475.369 1.297 30 10 JDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1722483097 FSKPXVDRRFSRJL-HUUCEWRRSA-N 468.400 1.175 30 10 JDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1722523353 PFYUYYZWGLIFNM-KRWDZBQOSA-N 461.592 1.662 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)OC(C)(C)C1 1722697485 LYIONBWXLZZRFM-MRXNPFEDSA-N 465.558 1.981 30 10 JDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1722701070 FJNCINULHLSTTB-UHFFFAOYSA-N 454.579 1.747 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722725637 PZCMBTIBTCHFCU-UHFFFAOYSA-N 469.615 1.992 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1722736780 IGVZBSNDQMTENT-QYZOEREBSA-N 484.619 1.377 30 10 JDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1723041977 HOZIKOVSWGEPIO-UHFFFAOYSA-N 481.601 1.634 30 10 JDEE CC(C)COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1723478859 FZVYDBLRYCYXOR-UHFFFAOYSA-N 475.575 1.281 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccnc(-n2cccn2)c1 1723924438 DILCWPQJACVYQV-OAHLLOKOSA-N 455.548 1.257 30 10 JDEE Cc1cccc(O[C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)c1 1724241681 DOAOFTILECNTTK-JUXOCIIHSA-N 492.577 1.829 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1740574792 NKODFYXKBCFQPA-MRXNPFEDSA-N 477.616 1.690 30 10 JDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNS(=O)(=O)CC 1740608096 LEWNPLPDVBSHBR-INIZCTEOSA-N 454.597 1.401 30 10 JDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)NCc1ccco1 1740612649 FZWYSJVRQGEVMS-UHFFFAOYSA-N 461.570 1.622 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1nnc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 1740615563 GZVMYINSXVWNNH-AWEZNQCLSA-N 479.632 1.240 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCS(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740618211 FBCMSOWFAXTKFU-QGZVFWFLSA-N 486.019 1.117 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740620057 SYVDQMLMVXUHPB-YXTQBTIXSA-N 450.605 1.993 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740624627 JCMBWWYNAGUJMB-GHTZIAJQSA-N 475.590 1.355 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCS(=O)(=O)C1 1740627807 KSBGALFEKUCCRC-IBGZPJMESA-N 491.589 1.465 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCS(=O)(=O)C1 1740677423 VWWJXZFXVFXEGN-HSZRJFAPSA-N 469.542 1.977 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NCc1ccco1 1740681388 JNTJMNIZNAAFLX-UHFFFAOYSA-N 451.483 1.712 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1740717300 OLFGATKTJXWDFD-LPHOPBHVSA-N 452.606 1.107 30 10 JDEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740945593 BGFXPFSOSCQXOU-UHFFFAOYSA-N 454.531 1.419 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCNC(=O)CC1 1740987314 DTECLLITJWCWOF-UHFFFAOYSA-N 468.377 1.635 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740989025 XUJGYCBPNKMKFO-QAPCUYQASA-N 450.561 1.770 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1740994043 HPMZSRYILCLNSE-UHFFFAOYSA-N 495.675 1.005 30 10 JDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)CC1CC1 1741885039 GEQJOOSHPOTOMR-OAHLLOKOSA-N 465.601 1.511 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)cc1C 1748672668 WMIJUMAPOVBWHO-PXNSSMCTSA-N 460.604 1.492 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@H]2CCS(=O)(=O)C2)c1 1748691451 FRILLBRBUIIJLU-GOSISDBHSA-N 466.567 1.775 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1c(C)nc2ccccc21 1748789980 CTEFGBWBHKACDK-FQEVSTJZSA-N 471.587 1.429 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1748790243 GXKAFQMHGHOJPS-DLBZAZTESA-N 484.623 1.230 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748808403 KTWAWUUIJKXQBN-YLJYHZDGSA-N 478.018 1.946 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748824942 UOXFHVZKJAACRL-HZPDHXFCSA-N 463.526 1.641 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748825714 CRENZMSGQFQGKS-QZTJIDSGSA-N 459.547 1.912 30 10 JDEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748906338 BWLJPKOKUFANBM-SFHVURJKSA-N 458.588 1.888 30 10 JDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1748960887 QITTYZDRUKBQIE-QZTJIDSGSA-N 472.590 1.980 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@@H]1COCCO1 1748963156 ZGKPJVVESLUYSZ-HXUWFJFHSA-N 455.563 1.344 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](F)COC)CC1 1749003657 QXRXXYRGLYPJCP-SFHVURJKSA-N 477.562 1.299 30 10 JDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1749450263 AIXLAKIJVSXZHW-QHCPKHFHSA-N 455.563 1.819 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](COCC)C1 1749669957 PZYVDVMZBYVBMU-ZWKOTPCHSA-N 478.594 1.752 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COCc2ccccc2)C1 1749670379 SKCHCNXYSOBOGQ-PMACEKPBSA-N 473.599 1.526 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1csc(Br)c1 1749670505 UQSRVMXVEASXAX-ZDUSSCGKSA-N 488.433 1.943 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1749721837 UYTZYJXZGVQRRB-ULQDDVLXSA-N 459.638 1.648 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1749721860 VUVMPENHICMNBR-MRXNPFEDSA-N 495.989 1.462 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1749729345 HGUQCAGGEDTACB-UHFFFAOYSA-N 461.592 1.222 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1749732303 VGFHGVSACZZBET-MSOLQXFVSA-N 488.614 1.554 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCCS2)C1 1750209363 FQTLQMRLHUSJPP-IRXDYDNUSA-N 454.622 1.637 30 10 JDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1760163351 SXYWGFYEBGYGIB-UYAOXDASSA-N 460.604 1.249 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1760191589 KESLXNPJCNVJCJ-SFHVURJKSA-N 459.572 1.189 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1760192278 HHJOAONSNUXOHT-RYLXDESZSA-N 454.593 1.180 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CCN2CCN(C(C)=O)CC2)CC1 1760264949 ZRAMRHMHWPNESY-UHFFFAOYSA-N 495.628 1.175 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1760265330 XITFNEYGUWUJQI-UHFFFAOYSA-N 483.617 1.129 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(=O)N(C)CC)CC1 1760269871 FIZAVHDPBRDOQY-UHFFFAOYSA-N 456.978 1.966 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SC)C1 1760357812 NPOSUUSPAXQKSD-ZWKOTPCHSA-N 473.665 1.926 30 10 JDEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)N(C)C 1760461504 WRFPSZIUXDUPQQ-UHFFFAOYSA-N 459.576 1.750 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760552538 RIWJINOPSCTRCO-QFIPXVFZSA-N 490.561 1.500 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1760554780 MLGNXQGVJZKEGO-KRWDZBQOSA-N 471.624 1.807 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)S[C@H](C)C1 1760565694 CNKLODIVIKODHZ-OAGGEKHMSA-N 461.679 1.860 30 10 JDEE C=CCSCCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760568225 BWWKTETUWZVFAF-YKSBVNFPSA-N 492.690 1.981 30 10 JDEE CCN(C)C(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1764684322 DMQGEAHBQZQQBS-UHFFFAOYSA-N 461.574 1.972 30 10 JDEE CCN1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1767046947 FJFFFICBNNMKAR-FXAWDEMLSA-N 457.604 1.771 30 10 JDEE C=C1[C@H](O)[C@]23C[C@@]1(OC(C)=O)CC[C@H]2[C@@]12CC[C@H](OC(C)=O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC 1848441238 NYZNMWNVMVARKT-VCJGPHDMSA-N 462.495 1.452 30 10 JDEE C[C@@H](C(=O)O)N(CCC#N)C(=O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)O 1866326646 CFOUYYKUDZUOMP-KFKAGJAMSA-N 482.445 1.738 30 10 JDEE C=CCn1cc(OCC(=O)Nc2ccc3c(c2)OCO3)c(=O)cc1CN1CCC(CO)CC1 1870434190 CDMQOLJCKGRGNS-UHFFFAOYSA-N 455.511 1.985 30 10 JDEE 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1.894 30 10 JDEE C[C@@H](NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2256733626 PIVIKEZIEAXFNL-OCCSQVGLSA-N 455.386 1.895 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2267160132 VAQAVRNJHNLFPJ-SRMUXQRQSA-N 465.381 1.853 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2281925002 CJJUFWFPGYKGGC-LCGIIJARSA-N 462.356 1.509 30 10 JDEE Cn1nc(C(=O)NCCO[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2281958306 FRKMOGBJOLWVEB-OAHLLOKOSA-N 464.372 1.475 30 10 JDEE Cc1cc(C(=O)NC[C@@H]2[C@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282012339 UTFMFXRTSJJRFB-PMPSAXMXSA-N 482.408 1.427 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)n1 2282038143 DUABEZRQCBEZPM-ZBFHGGJFSA-N 464.372 1.067 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCO[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2282054142 MLIDGVQRJVXPRI-OAHLLOKOSA-N 464.372 1.475 30 10 JDEE 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467.979 1.826 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359330684 ZJYBVVYGXCYABX-UHFFFAOYSA-N 461.592 1.525 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(N2CCCNC2=O)CC1 1359333775 JMSUYGLNTLJIBZ-UHFFFAOYSA-N 473.603 1.249 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(N(C)C)c1 1359473342 AHRHUZXPEBCMJO-QFBILLFUSA-N 461.592 1.321 30 10 JDEE C[C@@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1360602509 BIXQDQDTAFISHB-SFHVURJKSA-N 451.575 1.877 30 10 JDEE N#Cc1ccc(N2CCN(C(=O)Nc3ccccc3OCC(=O)N3CCOCC3)CC2)nc1 1465791373 DXOYHMQGZFZYGC-UHFFFAOYSA-N 450.499 1.545 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C(N)=O)c1 1507564027 LREWYBXZXHPSPB-LJQANCHMSA-N 474.587 1.150 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1507627715 FSTNEJKBCBRULB-KRWDZBQOSA-N 473.555 1.073 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1507633730 GPWWPZSSFDJNOZ-VPTFNQTCSA-N 461.613 1.192 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCc1cnn(C)n1 1507653610 SBHMPYXDQNKVMF-UHFFFAOYSA-N 469.553 1.899 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1CC1(C(N)=O)CCOCC1 1507675311 BLSNBGYLRRFHRS-UHFFFAOYSA-N 451.527 1.611 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CSCCS2)CC1 1507740822 PUQNAIKVXCKZOZ-KRWDZBQOSA-N 462.645 1.215 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NC)CC1 1507804387 JMZBKZXILVGZSX-IEBWSBKVSA-N 453.547 1.869 30 10 JDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1507847605 OKXRXPVXJANNKF-UHFFFAOYSA-N 467.578 1.233 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(ccnc2O)C1 1507935366 PWEWOIBQWGUGJZ-GOSISDBHSA-N 462.576 1.631 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](C(=O)OC)C1 1508136908 WJRQWBCQBADNIQ-QGZVFWFLSA-N 476.555 1.707 30 10 JDEE CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1508775477 CJVSMINDYLIYJS-SFHVURJKSA-N 470.599 1.992 30 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JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCC[C@H]2C)CC1 1539452479 UGNSYIPPXYAYFI-OHUGHZGNSA-N 488.633 1.893 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2COCCO2)CC1 1539469893 VQGXOZQIJAHAPV-IEBWSBKVSA-N 471.533 1.938 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1539487843 AEIDHSBUBMMZIP-XZOQPEGZSA-N 481.597 1.980 30 10 JDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539816508 BFWJWAZTOVUOOB-ZDUSSCGKSA-N 463.951 1.495 30 10 JDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCn2c(nc3c2CCCC3)C1 1540019627 BVUBCGXUPNFFOY-MRXNPFEDSA-N 463.608 1.577 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(N(C)C)CCSC1 1541910934 GCOSXSIXXOFUTG-IERDGZPVSA-N 477.660 1.834 30 10 JDEE CC[C@H](C)N(C)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1545656800 ANFKWTZBSOTHEU-KRWDZBQOSA-N 470.626 1.387 30 10 JDEE CCc1nn(C)c(OC)c1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1546394092 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C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OC)n2)CC1 1589394667 MCJNVRCZODNMEX-CYBMUJFWSA-N 463.340 1.263 30 10 JDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1593871974 AHIJNTHIYRLTKY-UHFFFAOYSA-N 456.956 1.619 30 10 JDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)nc1)C1CC1 1595021411 ZHAIUPBVWQJSQJ-INIZCTEOSA-N 461.592 1.323 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1595569570 JLYHHEKGXGZXNA-QFIPXVFZSA-N 495.628 1.117 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1595577576 XIXBXUQKQYSMPB-GOSISDBHSA-N 481.557 1.249 30 10 JDEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1618866361 HVMOSJMUVUFDKI-QGZVFWFLSA-N 472.571 1.488 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)C[C@H]2OCC)c1 1639328537 KWULEDMCCQQOHD-FYYLOGMGSA-N 455.580 1.865 30 10 JDEE C#CCC1(NC(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)CCCCC1 1657641523 XMERWCKQHGQUAE-KRWDZBQOSA-N 453.586 2.000 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CC[C@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689985902 FCQMKOYBUVCRIK-CVEARBPZSA-N 457.478 1.934 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(OC)CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1689993627 IORTTZFTPKHGPH-FVRICEFQSA-N 477.631 1.623 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1689993967 OGUYXUXLGBHGJU-GEFUHLBYSA-N 474.652 1.991 30 10 JDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCCCn1cc(Br)cn1 1690025039 BINGKWWMSNXYPK-UHFFFAOYSA-N 458.364 1.913 30 10 JDEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCN(CC)C1 1690095507 SCUSANFEMRGAIT-LJQANCHMSA-N 473.647 1.974 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@@](=O)CC 1690104176 OUGIAFHVTXYHOW-IAQAZVPISA-N 469.608 1.441 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2nnc(C)s2)CC1 1690150524 LDRDXNPGGBGGAU-UHFFFAOYSA-N 456.601 1.808 30 10 JDEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690456217 ZPQBVSGBSNIKRA-UHFFFAOYSA-N 492.588 1.450 30 10 JDEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1690640882 OHLNOHHBMHNHEB-MRXNPFEDSA-N 450.547 1.817 30 10 JDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(NC(=O)COC)CC1 1690742448 QVTRXZOKVODSMK-UHFFFAOYSA-N 497.625 1.843 30 10 JDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1705533956 VNCCCFOBGJGEFH-OAQYLSRUSA-N 452.559 1.982 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CCNS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1705562119 YODZRMLOLCMIRR-KRWDZBQOSA-N 465.601 1.007 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCS(=O)(=O)CC=C 1705670168 KSKRCVAXAGFGEX-JOCHJYFZSA-N 491.639 1.788 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncnc3ccsc23)CC1 1705720930 IFKWONVBVXLLSU-AWEZNQCLSA-N 462.605 1.796 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCc1cnccn1 1705902975 NUUBQJFRROYQMM-UHFFFAOYSA-N 462.562 1.223 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)CN2CCOCC2)C1 1705914134 HILFCHWPRGJQPV-OALUTQOASA-N 455.563 1.675 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1705936896 AMLGQHLOHDVLBI-LJQANCHMSA-N 499.641 1.811 30 10 JDEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CCN1CCOC 1709548732 CKGLIHGOUQRPMZ-RCZVLFRGSA-N 467.618 1.820 30 10 JDEE COc1ccccc1Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCS(C)(=O)=O 1711981433 BIYHEUGVHXNAIL-UHFFFAOYSA-N 495.609 1.905 30 10 JDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)C[C@@H](C)O1 1712302765 AICVZABGUXEDKA-OFNKIYASSA-N 497.644 1.995 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CCN1CCCS1(=O)=O 1712442717 GZJHIPZRYAKLNV-UHFFFAOYSA-N 482.570 1.295 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2cccn(CC)c2=O)c1 1722305497 HZWKPGLEWANOHG-UHFFFAOYSA-N 487.564 1.800 30 10 JDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C(=O)OC)C1 1722309327 AAWMNRAEBIABFD-SFHVURJKSA-N 459.572 1.998 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1722359428 MKGCBOZQOLUACT-SFHVURJKSA-N 455.544 1.262 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1722440728 CSWFWYCCRJKWAO-IBGZPJMESA-N 487.004 1.761 30 10 JDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1722461638 TUBAPZTXJWYPMS-GOSISDBHSA-N 462.645 1.738 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2)CC1 1722726733 BNRGSUIWWRHSMC-SFHVURJKSA-N 479.628 1.108 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC([C@@H]2CCCO2)CC1 1722730134 JOUOMOOZRXFRDE-SFHVURJKSA-N 451.593 1.397 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC1(O)CCOCC1 1723924903 GPEGGXVQLVCLFT-KRWDZBQOSA-N 486.598 1.595 30 10 JDEE CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)CC1 1731005552 CVLXNGTWUSGQFK-UHFFFAOYSA-N 488.614 1.464 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCO[C@@H]1CCOC1 1740539936 RYICZPXKWDWHTR-IEBWSBKVSA-N 461.588 1.849 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1740591611 PRLPYJNAKJNICI-SFTDATJTSA-N 475.615 1.893 30 10 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468.543 1.528 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740994586 UIUXRHTWXGUZJD-INIZCTEOSA-N 465.551 1.654 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1748717638 FCXJEHDUOCCJJC-QUCCMNQESA-N 475.619 1.532 30 10 JDEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1748735206 DESFEUDNWCPSJT-DOTOQJQBSA-N 456.934 1.632 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1748801553 CUPLBXMHGISRCR-FQEVSTJZSA-N 484.582 1.148 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OCCOC)cc2)CC1 1748994610 KYJJHPYFVGIMMW-UHFFFAOYSA-N 463.586 1.968 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)c2cccs2)CC1 1749009937 MZNMKGRCIACUPN-SFHVURJKSA-N 470.599 1.977 30 10 JDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1749040197 QQXKHCVONUXOCP-SIKLNZKXSA-N 467.643 1.619 30 10 JDEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(NC(=O)COC)CC1 1749264801 FBWMTRJRLBAIHE-UHFFFAOYSA-N 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473.578 1.452 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1359335471 MKJIUGHLEDZAHP-HXUWFJFHSA-N 490.561 1.908 30 10 JDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H](C(C)C)N2CCCS2(=O)=O)n1 1442966026 PHDTZZQVFCWLSF-AWEZNQCLSA-N 456.619 1.799 30 10 JDEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1502460641 ANXQYKFSAVVERF-UHFFFAOYSA-N 454.535 1.059 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(C#N)o1 1507706129 IPHYFGQQYADTLN-UHFFFAOYSA-N 468.539 1.794 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NCC 1507710492 HCGXHYCUMDAKLT-SFHVURJKSA-N 492.621 1.835 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccnn2C)CC1 1507844708 NZGSWZNUWBHGFD-HXUWFJFHSA-N 493.634 1.321 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)NCc2ccccc2)CC1 1507883955 BSXJSEFJXCSYNE-HXUWFJFHSA-N 488.614 1.474 30 10 JDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)c1cccc(O)c1)C1CC1 1507992910 KWQMEAOAZIATNV-KRWDZBQOSA-N 459.572 1.861 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1508058823 GPODXNTXXRPEOX-HRAATJIYSA-N 467.592 1.788 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ccnc(C)n2)CC1 1508135848 BKECOZNZYSZSGB-UHFFFAOYSA-N 456.576 1.309 30 10 JDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1508160864 XXDNWAGSRIYKCB-MRXNPFEDSA-N 456.638 1.399 30 10 JDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)[C@@H](C)C1=O 1509409571 HIVNYRYLTGYPEU-SFHVURJKSA-N 487.630 1.838 30 10 JDEE CCc1nn(C)c(OC)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1513767234 DHOSYCFXMBJWLW-FQEVSTJZSA-N 478.557 1.796 30 10 JDEE COc1ccncc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1518540702 CBBMZFPHIIUSKE-IBGZPJMESA-N 475.575 1.193 30 10 JDEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539044608 FNPIFGKDHWALMP-UHFFFAOYSA-N 486.020 1.875 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1539210159 BCXUAQMAAUEUKC-FQEVSTJZSA-N 464.555 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464.567 1.151 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@]2(N(C)C)CCSC2)CC1 1690142305 LBLWCUWTKXOMOA-HSZRJFAPSA-N 455.632 1.687 30 10 JDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(CC)C1 1690228854 HJGSFTXXUVTPIN-PBHICJAKSA-N 478.413 1.525 30 10 JDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1690308391 MMQVNDKVUMASSR-KNQAVFIVSA-N 468.606 1.707 30 10 JDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1690481879 RXQVGVAAUFODGQ-UFYCRDLUSA-N 457.623 1.822 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CCCO2)CC1 1690508817 QGBMVQCQBLLUBF-PMACEKPBSA-N 483.635 1.599 30 10 JDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@]1(N2CCOCC2)CCSC1 1690609448 OSWBKHMRDZGRCO-JOCHJYFZSA-N 464.636 1.361 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1690659438 SKXDYVKTEAIQPN-QGZVFWFLSA-N 453.547 1.506 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(O)(C(F)(F)F)CC1 1690669375 CHSCGVGHLVIZFK-UHFFFAOYSA-N 477.447 1.790 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1690676353 XLJADCXGALDCRI-QGZVFWFLSA-N 458.544 1.044 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccnc2OCC)C1 1690700937 ZWERJBYXRXQAEM-OALUTQOASA-N 492.602 1.234 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1690730139 XSQPSZXRKPMUEY-GOSISDBHSA-N 461.588 1.823 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)Cc1cccc(F)c1 1691003040 BGNMGIQFHYENKT-WBVHZDCISA-N 462.551 1.274 30 10 JDEE CC(C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1691868020 HBSMQRLZPMIURG-GOSISDBHSA-N 457.604 1.881 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1705486112 WVMANRAOCOFOGN-ORAYPTAESA-N 483.388 1.724 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CCN(C)C2)c1 1705505455 NPHREHDUINBGFD-RUZDIDTESA-N 459.554 1.771 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1705559762 BDGMOLWFSWVKTL-SFHVURJKSA-N 457.556 1.107 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1705565641 JAMZKYOGGQFNBE-RTBURBONSA-N 477.631 1.795 30 10 JDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1705566423 ODWALXIOJXUPKN-FQEVSTJZSA-N 495.609 1.530 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C)Oc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1705568081 HISBJKILJOTYPK-HKUYNNGSSA-N 489.573 1.634 30 10 JDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705603261 PYOVMLZUUJYGOS-SFHVURJKSA-N 452.563 1.328 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1705754656 CPSWQEPSNKVVEG-QZTJIDSGSA-N 479.006 1.281 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1705806071 WELKWKZHWPCXMP-ZWKOTPCHSA-N 464.636 1.326 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCOCC1 1705885216 LCXAQWJJYUFFQM-VQTJNVASSA-N 494.637 1.946 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 1705890633 AEXJEKMYPXIIEJ-IBGZPJMESA-N 476.603 1.525 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1705895703 PNEJWNBLMAZZCY-VXGBXAGGSA-N 473.397 1.596 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1705902770 JNHJMGFWQNFVTG-SFHVURJKSA-N 486.598 1.011 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1705906382 CCNWRRXZNAJFJR-OAQYLSRUSA-N 491.390 1.884 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)CNC(=O)C2 1705912178 BSVZHFAXDLWRGP-KRWDZBQOSA-N 488.614 1.608 30 10 JDEE Cc1noc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)n1 1707943692 IDSUQGSMWMFADU-UHFFFAOYSA-N 456.532 1.223 30 10 JDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCC1)C1CCN(S(C)(=O)=O)CC1 1711045520 DNFGQWJJZPFHNF-UHFFFAOYSA-N 487.630 1.685 30 10 JDEE Cn1nncc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1711282952 BZAJKLIIBQIAQM-UHFFFAOYSA-N 461.452 1.590 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1S(=O)(=O)N(C)C 1722284105 KOZROCGFAXEHSB-INIZCTEOSA-N 467.555 1.682 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCN(C)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1722360336 GIONZAGANHDJRV-FQEVSTJZSA-N 483.573 1.633 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1nc(C(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1722360866 KFXUMZYLYOCLDF-INIZCTEOSA-N 459.601 1.934 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccnc1OCC(F)F)[C@H]1CCS(=O)(=O)C1 1722362765 WFNJIHYSJAGYOP-KRWDZBQOSA-N 490.536 1.998 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCCCCCO)[C@H]1CCS(=O)(=O)C1 1722366650 ITOFTLWAXZXUAW-KRWDZBQOSA-N 484.582 1.773 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1722368412 RCTKAVIEZKWPMH-MOPGFXCFSA-N 451.637 1.340 30 10 JDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1722387775 YQUNXAVHFHVNPZ-NHCUHLMSSA-N 469.615 1.417 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC(=O)NCC(F)(F)F)CC1 1722441977 PFAIGIMZYZXVQI-UHFFFAOYSA-N 450.465 1.599 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCC(OC)CC2)CC1 1722447834 QZCWCRGOGVKURK-SKINQDTJSA-N 477.631 1.351 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C(C)C)N2CCCC2)CC1 1722450085 WWGWNJQYXMCIPA-OAQYLSRUSA-N 469.634 1.487 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCO[C@H](C)C1 1722474554 OVASGQPOUPCAJN-NXWNEQKCSA-N 465.620 1.808 30 10 JDEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722486872 FUVJODLQLQDIEO-UHFFFAOYSA-N 460.336 1.693 30 10 JDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722688507 DPIREBPPTVIUGD-RBUKOAKNSA-N 477.573 1.654 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1722694860 KXKOIHWSNXGAQO-UHFFFAOYSA-N 471.587 1.369 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1722727677 KIFQGAFNLZIGLT-KRWDZBQOSA-N 459.638 1.272 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722731475 LWDPWSDGGRGFGB-SXWKCWPCSA-N 497.662 1.076 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)C)CC1 1722750842 POLVEERAMJKFHX-UHFFFAOYSA-N 481.644 1.480 30 10 JDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@@H](C(F)(F)F)O1 1726722136 FCMDBNHIVVLAFK-YJBOKZPZSA-N 494.474 1.744 30 10 JDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740593800 QHPMKLXNUCMTDO-UHFFFAOYSA-N 455.588 1.318 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@H]1c1ccccc1 1740610588 GGURCAUMMFBVID-HKBOAZHASA-N 473.599 1.848 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1740615307 ABUAQRRDZUKVHP-YOEHRIQHSA-N 462.576 1.452 30 10 JDEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1740620572 QLFAGJSJCRJBHO-SFHVURJKSA-N 487.607 1.555 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c(c1)OCCO2 1740657416 RXIVAKVVSNMXSY-QFIPXVFZSA-N 499.593 1.088 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCN(C(C)C)CC2)CC1 1740699666 OXOQPAKSGDAYEL-UHFFFAOYSA-N 477.613 1.719 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](F)COC)CC1 1740704564 SOCOLUOKAMPWKD-GOSISDBHSA-N 457.506 1.667 30 10 JDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1740777755 FSGVHNKYNNOIKM-UHFFFAOYSA-N 457.623 1.909 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1740953951 WVSKAAKCNSKDPH-QGZVFWFLSA-N 473.541 1.633 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCOC2)C1 1741983003 DEXSTYCDTPWIQZ-SQGPQFPESA-N 452.581 1.168 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1748734529 FZQBXIDAXLAFRN-UHFFFAOYSA-N 484.626 1.506 30 10 JDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1748748228 VOZGXXCPACBEBN-SFHVURJKSA-N 456.572 1.462 30 10 JDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1748790810 MTHVTNOYIVJUIR-GOSISDBHSA-N 474.606 1.957 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1748803341 XODQABIDPRAKRJ-QGZVFWFLSA-N 476.628 1.941 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1748808956 JIFGUCYHLPHFNZ-SFHVURJKSA-N 474.583 1.893 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1748809714 VVGXQFGJTFUXAT-FZYZMVIOSA-N 471.608 1.745 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1748812539 VUHJGAAGZUAAOJ-PKOBYXMFSA-N 484.582 1.781 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1748817955 TXWYNIXQWZXPDQ-YVWKXTFCSA-N 494.614 1.750 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1748819382 NYPTZEIRUGLWBJ-CTNGQTDRSA-N 470.599 1.149 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N1CCCC1 1748826232 PJGMZMUMYOMXBB-FPOVZHCZSA-N 454.600 1.798 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Sc1ccccc1 1748860162 XHLJDWUMHZPVEU-UYAOXDASSA-N 473.624 1.865 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN1c1cc(NC)ncn1 1748875476 PYIQCTMQTFVOSZ-JQVVWYNYSA-N 464.574 1.576 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1748929420 JCODTZZAPHGTQF-ZWKOTPCHSA-N 498.650 1.574 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn(C)nc1-c1ccccc1 1748929567 MWUWNHZYPGAHTJ-FQEVSTJZSA-N 483.598 1.519 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(S(C)(=O)=O)CCC1 1748962527 KOPLJZNYTOCKHX-UHFFFAOYSA-N 487.630 1.505 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OCCN(C)C)c2)CC1 1748971268 KANRCDQGLMZYLL-UHFFFAOYSA-N 465.602 1.258 30 10 JDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCC(=O)N(CC)CC)CC1 1748986891 KZAQAPNCSZQRSL-UHFFFAOYSA-N 476.585 1.998 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccnc(C(F)(F)F)c2)CC1 1749000917 DLKWHZABYFTXHM-UHFFFAOYSA-N 477.491 1.844 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1749037276 CTERINNKJBDQRB-MRXNPFEDSA-N 464.617 1.796 30 10 JDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1749044205 PICYMDVMOSPNIA-UHFFFAOYSA-N 462.645 1.881 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC)C1 1749129244 BRFPWCLLIWKVCX-YRXWBPOGSA-N 453.609 1.829 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1749650430 WXJLZAFNHBELHM-UHFFFAOYSA-N 487.992 1.724 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 1749650542 AVQCZZFRSMDODC-AOMKIAJQSA-N 474.587 1.216 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1749670346 QFUJYKVPYQKKSL-BBWFWOEESA-N 473.578 1.367 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1749677059 MEXJBFZQLDPIJR-GMAHTHKFSA-N 481.645 1.806 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCOC2(CCCC2)C1 1749721153 BHXLTBJGLCDVQY-UHFFFAOYSA-N 460.560 1.676 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1749721563 NUOGWVWMIBCZGI-UHFFFAOYSA-N 490.605 1.576 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1749726803 FNRDPWSLHDTLJF-GOSISDBHSA-N 477.587 1.668 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC2CCOCC2)CCO1 1750022360 FTUYHEFFWOONJG-JOCHJYFZSA-N 468.558 1.887 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCOc1ccc(Cl)cn1 1751208708 DXCQHXCZCRYGRK-ZDUSSCGKSA-N 453.956 1.756 30 10 JDEE Cc1noc(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)n1 1751968271 CGRSIAGTNRWRLI-UHFFFAOYSA-N 450.503 1.436 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCS(=O)(=O)CC 1760119529 AZXSGZHMCZGDDA-HXUWFJFHSA-N 458.632 1.535 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1760255707 GZQLLZXCFKIHGD-MRXNPFEDSA-N 480.997 1.774 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCC[C@@H](C)C2)CC1 1760266334 VYDCZBCCESPPPE-NLFFAJNJSA-N 472.634 1.628 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(C(=O)NC)c2)CC1 1760270026 RXTQQMOEERQINN-FQEVSTJZSA-N 450.543 1.156 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1760333425 FQOUUGQTOVWILU-KKKDIUQISA-N 474.606 1.578 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1760345939 AFSDNFLDCJNFHL-IBGZPJMESA-N 492.577 1.289 30 10 JDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760361292 VMYXVGMVCDBBDP-CEXJFXJFSA-N 476.578 1.409 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN(CC)CC)CC1 1760402177 ISDRUMRPPMKVDV-IBGZPJMESA-N 454.641 1.745 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)c2ccco2)CC1 1760440878 SEPLXNJIJPRPIF-GOSISDBHSA-N 478.575 1.133 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1760522892 FNZPMAMUTCPBBC-JKSUJKDBSA-N 456.551 1.777 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](n2cncn2)C1 1760526271 JLEXODZHBPXOCL-OAHLLOKOSA-N 455.548 1.005 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1760559664 JVHGKJHLIWZOFZ-AVGNSLFASA-N 457.544 1.964 30 10 JDEE CC(=O)N1CCN(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 1760620630 GOCLAIGYQJLLOQ-DYESRHJHSA-N 471.537 1.450 30 10 JDEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cc[nH]n1 1762379765 DWZIFZRPARDETE-UHFFFAOYSA-N 458.530 1.957 30 10 JDEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)CC1 1767099753 HJNRRJRUPVERKO-SFHVURJKSA-N 459.620 1.324 30 10 JDEE C#CC1(O)CCN(C(=O)NCc2cccc(-n3cc(CNC(=O)OC(C)(C)C)nn3)c2)CC1 1772509818 FNIMTAIRNMGKKR-UHFFFAOYSA-N 454.531 1.962 30 10 JDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 1858640197 DEDQLTNNMXJRCF-UHFFFAOYSA-N 463.512 1.816 30 10 JDEE C=CCn1c(C(=O)NCCCN2CCCC2=O)cc2c(N3CCN(c4ncccn4)CC3)ncnc21 1873591397 IQELUQCQPMVITH-UHFFFAOYSA-N 489.584 1.476 30 10 JDEE C=CCn1c(C(=O)NCc2ccc(OC)c(OC)c2)cc2c(N(CCO)CCO)ncnc21 1873596393 UXQOEOMYEGZKMA-UHFFFAOYSA-N 455.515 1.356 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255628057 CECUEQINKIDJEM-ICNDJQDOSA-N 454.358 1.614 30 10 JDEE CCN(CCNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2255931740 PTSMWPQIFRBMID-UHFFFAOYSA-N 455.386 1.916 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)[C@H](CO)C1 2267147860 USBBTFZPQGQLRW-UONOGXRCSA-N 467.397 1.790 30 10 JDEE Cc1nn(C)c(C(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281977971 WLPMDXZREHUWTR-OAHLLOKOSA-N 466.388 1.328 30 10 JDEE Cn1cc(C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)nc1B1OC(C)(C)C(C)(C)O1 2282542776 KTNLBSRWQIRPSM-UHFFFAOYSA-N 454.380 1.476 30 10 JDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282551102 HEZNPLAYAXJCBT-OAHLLOKOSA-N 463.388 1.000 30 10 JDEE Cc1c(C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282581769 MMIRBLXOXCWUQQ-IBGZPJMESA-N 453.396 1.232 30 10 JDEE CCO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2282585104 YUKLIIBCVDAFHL-CVEARBPZSA-N 464.372 1.853 30 10 JDEE C[C@H]1[C@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282616034 VXYRCQBUHRMHOR-GRYCIOLGSA-N 459.278 1.032 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](C)N1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282621610 UUHOYEVRAWZQAO-RRFJBIMHSA-N 463.388 1.973 30 10 JDEE Cn1[nH]c(CCNC(=O)OC(C)(C)C)nc1=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2282635219 AVLKZONRGZHVLK-UHFFFAOYSA-N 460.344 1.184 30 10 JDEE C[C@@H]1C[C@@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1C(=O)OC(C)(C)C 2282849638 FBDNAQRFJDNZGB-CABCVRRESA-N 484.428 1.786 30 10 JDEE CC(C)(C)OC(=O)N[C@@]1(CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCOC1 2315696976 LMTPKMRMQGEXLZ-HXUWFJFHSA-N 453.370 1.856 30 10 JDEE CC(=O)c1ccc(NC(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2N)cc1 20527414 BSRLILQGTQVORZ-ZVBGSRNCSA-N 470.471 1.985 30 10 JDEE COc1ccc([C@H]2/C(=C(/O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1 102736921 QSKNUXNCAMCUQO-AGGMBTAESA-N 487.578 1.929 30 10 JDEE C#CCOCCOCCOCCOCCOCCOCCOS(=O)(=O)c1ccc(C)cc1 113286665 GNIAZGBFLMOSJO-UHFFFAOYSA-N 474.572 1.433 30 10 JDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)c2ccccc2F)sc(=Cc2cnn3ccccc23)c1=O 729669705 SNGUWIZQLBMNNS-UHFFFAOYSA-N 475.505 1.171 30 10 JDEE C[C@@H](c1cccs1)n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn3ccccc23)c1=O 729672299 HKSGRPVQSUZZCO-INIZCTEOSA-N 491.598 1.590 30 10 JDEE COc1ccc(C(=O)Nc2ncc3c(c2C#N)COCC3)cc1S(=O)(=O)N1CCOCC1 1129873902 HOXHYEWQVSIERC-UHFFFAOYSA-N 458.496 1.308 30 10 JDEE CN1C(=O)C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(F)cc1 1141411667 HNQZXXRUJXLCID-RBBKRZOGSA-N 470.526 1.750 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccco3)nc3onc(CCC)c23)CC1 1152967818 QSEPSZJRJVDJSO-UHFFFAOYSA-N 457.512 1.661 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1noc2c1CCCC2)[C@H]1CCS(=O)(=O)C1 1286384293 HJTJARQGIXIVKU-IRXDYDNUSA-N 477.587 1.544 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC(O)(CCC)CCC)[C@@H]1CCS(=O)(=O)C1 1286390197 YMAOXCYHSYZTCN-QGZVFWFLSA-N 491.614 1.964 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CC[C@H](O)C1 1286415103 JUYZMGKELHBHQK-HJOGWXRNSA-N 463.582 1.690 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(O)CCS(=O)(=O)CC1 1286434519 NRBQMXUTJCWJAP-RTBURBONSA-N 462.616 1.599 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2cccnc12 1286447201 KFYHSKHHKROIKT-LJQANCHMSA-N 454.556 1.667 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1cnn(C)c1C 1286781112 OSDRIJBWJPBONR-UHFFFAOYSA-N 470.965 1.842 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)OC[C@@H]2C1 1286784717 REPATENVGPDSAL-ZDUSSCGKSA-N 461.320 1.651 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1286787497 GTMVRXKJESJLKP-IBGZPJMESA-N 470.578 1.202 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1286789055 ODUAOWMRUZANDY-FQEVSTJZSA-N 497.619 1.833 30 10 JDEE C=CCOc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCNC(=O)C2)cc1 1286796142 HVCKXKZMXMPERL-UHFFFAOYSA-N 452.540 1.819 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCN2CCOC[C@H]2C1 1286814720 FDFNHZVQSMOKAD-GOSISDBHSA-N 496.431 1.829 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1286817020 NZKPLUSHAFEMGM-UHFFFAOYSA-N 471.587 1.868 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1286820066 DEFHGGUIJBTHOX-IRXDYDNUSA-N 465.551 1.965 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286821017 YHJBJPQHKNMFSN-SFHVURJKSA-N 466.652 1.210 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1c(C)nn(C)c1C 1286831455 GBUAFWMIYZMZAL-SFHVURJKSA-N 483.664 1.517 30 10 JDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300432310 GCORLGSYXDCISG-WMZOPIPTSA-N 450.609 1.470 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1300493880 WXICHHWKAUISEQ-GOSISDBHSA-N 454.560 1.037 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300503980 HRVSBICCCPJOGD-LJQANCHMSA-N 461.563 1.719 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1c2ccccc2C[C@@H]1C 1300538997 WLFOPTPFLAYCTJ-UGKGYDQZSA-N 482.610 1.135 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)CCC)CC1 1300712884 XGGXKSIPTPNXKM-QHCPKHFHSA-N 453.547 1.442 30 10 JDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1300862770 DSUVFSBAPZTFKA-HOCLYGCPSA-N 492.440 1.771 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccnc(C)n2)CC1 1300871772 CVOQTANRQHDECQ-AZUAARDMSA-N 454.579 1.823 30 10 JDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1300925857 HJHNJOKQKXKSME-VQTJNVASSA-N 457.623 1.907 30 10 JDEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1300958784 QHEWEPGNCQEKLH-UHFFFAOYSA-N 482.585 1.155 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1301257954 HSKYAFBCDACERI-LJQANCHMSA-N 487.626 1.796 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301481371 KVYOOYLZLVTVOG-CRAIPNDOSA-N 485.520 1.332 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](CC)C1 1301497033 LQRDRBOTCFYALJ-KRWDZBQOSA-N 465.558 1.982 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2c[nH]nc2C)C1 1301557414 OWGZTWAWIBXVGD-MOPGFXCFSA-N 479.607 1.057 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1301567354 HOXNRIPEZDGNSV-KRWDZBQOSA-N 496.634 1.561 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccccc2C)CC1 1301579029 LWKVXUCCHKWWDU-UHFFFAOYSA-N 467.599 1.967 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1301596184 JYXLONLDSSFVMN-CDMIOBSGSA-N 465.620 1.656 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CCCO)C1 1301649851 BKORWOAOMVZNGA-JTHBVZDNSA-N 465.602 1.968 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCN(C(C)=O)CC2)CCO1 1301909756 ACVJTWDZACVIKZ-HSZRJFAPSA-N 495.584 1.329 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@](C)(O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1358960545 HAHBNXNQELRIPM-JTSKRJEESA-N 489.001 1.866 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1358961075 REXZJIPYKSXFAS-UXHICEINSA-N 472.615 1.324 30 10 JDEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1358963690 MNOGJNNISYBCPJ-FXAWDEMLSA-N 487.582 1.332 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1358976491 GMPSUTQGRKWIME-BVZFJXPGSA-N 460.538 1.849 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OCC 1358994927 ZKSLWLHPZQPQMC-JOCHJYFZSA-N 485.610 1.715 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC(=O)NC2CCCCC2)CC1 1359030995 MPPBBNMUJDYKTO-DEOSSOPVSA-N 458.607 1.524 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1359227458 BSRMPFJQPOKPTP-PXNSSMCTSA-N 452.581 1.334 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1359294109 KQYCTHYEIOHOPB-MSOLQXFVSA-N 489.646 1.417 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1359298934 PROAZHGPCOFJDK-UJJTZGENSA-N 487.605 1.898 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1359299073 UFAIPZGUQRFECW-HXUWFJFHSA-N 484.479 1.838 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1359300050 SGAVNHLJGPHJEC-LJQANCHMSA-N 452.559 1.845 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc2nnc(CC)s2)cc1 1449104911 HOZKHCJAIVGRMS-STQMWFEESA-N 451.574 1.958 30 10 JDEE CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1497376277 AXHLFLVLZUNXDZ-KRWDZBQOSA-N 455.567 1.066 30 10 JDEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H]1C 1502248867 CSHLVLIKXORWDI-ROUUACIJSA-N 472.615 1.675 30 10 JDEE COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOC(C)(C)C2)CC1=O 1504903294 AOBHASZNGOIAFA-IBGZPJMESA-N 468.558 1.839 30 10 JDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)N1CCSCC1 1507606011 ZMQVEWWDNUZVRI-UHFFFAOYSA-N 497.046 1.310 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1507635314 RUWMSZYVCFFAHZ-NRFANRHFSA-N 467.599 1.876 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1507640011 OAFLZKNWWKRBDT-SFHVURJKSA-N 455.540 1.392 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCn1cc(C)cn1 1507642810 ZRYKROKENCEEFM-UHFFFAOYSA-N 450.572 1.825 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc3c(c2)C(=O)NCC3)CC1 1507715811 IFGSFCKSAHRHLK-UHFFFAOYSA-N 463.586 1.286 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(CC)CC)cc2)CC1 1507722464 XVSXPSDJLYTMTA-IBGZPJMESA-N 473.647 1.538 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1507731158 CBCXMQHCCYSJGQ-ROUUACIJSA-N 480.635 1.239 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC2CCS(=O)(=O)CC2)CC1 1507732388 MEXKMBNRTZSWLP-UHFFFAOYSA-N 487.626 1.836 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCc2cccc(C)n2)CC1 1507734108 RDXXQNUGESULHH-UHFFFAOYSA-N 463.586 1.816 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](F)COC)CC1 1507735687 FIAQBDWASCHVSJ-MRXNPFEDSA-N 481.370 1.996 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2)C1 1507964372 COBCJSBZCJSDPE-SFTDATJTSA-N 491.614 1.782 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1508080035 HVWGCQXBTWABPX-UHFFFAOYSA-N 463.590 1.239 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1508144200 RQYOGTRAMPDHSR-SFHVURJKSA-N 450.609 1.414 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1508146165 UZGZEJYOTNBEJV-NRFANRHFSA-N 463.991 1.840 30 10 JDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1515285280 CHWIOYXFAWOYBC-INIZCTEOSA-N 463.464 1.800 30 10 JDEE C#CCN(C(=O)[C@H](Cc1cccc(OC)c1)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1528600285 ZQDNXSVJYCGPEN-MJGOQNOKSA-N 450.557 1.780 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)N1CCc2ccccc2C1 1539179895 TWOLJUMVFIFSAG-FCHUYYIVSA-N 486.642 1.517 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1539218840 DZDFIOZFWPQKAJ-KXBFYZLASA-N 491.564 1.689 30 10 JDEE C#CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)C)[C@H]1CCS(=O)(=O)C1 1539219899 OHNZGZRWFDTUPK-ROUUACIJSA-N 481.619 1.869 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)Oc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1539221509 ORZPGMJABXEESL-QRVBRYPASA-N 471.583 1.632 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCS(=O)(=O)C1 1539337789 MMUPWCXOQNYKSX-QRVBRYPASA-N 475.615 1.946 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1539409384 ZLWHBSMWMSGLQD-IEBWSBKVSA-N 459.576 1.025 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1539684710 BMGBIDQFMSRUAY-OAHLLOKOSA-N 485.058 1.736 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1540908791 NVTDKBLTOAUPBU-OAHLLOKOSA-N 467.979 1.813 30 10 JDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1547350843 HJVBCCLFMNJCAE-OAHLLOKOSA-N 470.477 1.509 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(OC)CCCC2)c1 1587683089 AUMXJTQSHYSRDV-QGZVFWFLSA-N 488.614 1.904 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCSCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588069520 PSEJTKRMOMCIKP-CQSZACIVSA-N 479.550 1.323 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)Cc1ccccc1 1588174163 RCXKUOBRRDZRSW-UHFFFAOYSA-N 453.568 1.592 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1588968026 FMOANXBBJUXNJR-UHFFFAOYSA-N 450.572 1.474 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N1CCOCC1 1595161472 BBFJHKJKYUIPKW-INIZCTEOSA-N 465.601 1.293 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)CC 1595303453 TUHYOZKOAZKCRD-KRWDZBQOSA-N 466.583 1.704 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)c2cccs2)CC1 1595405584 RTIAXCXXQXSHLR-INIZCTEOSA-N 465.601 1.958 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1595522818 KMPCMYUUIZVPEJ-GOSISDBHSA-N 467.574 1.838 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cc1 1595614538 WUZAVXPCJRFWFX-IEBWSBKVSA-N 480.612 1.417 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(=O)NC(C)C)C1 1595713998 JVXANNGITPMZHB-INIZCTEOSA-N 451.531 1.498 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1595765890 JHFJMSOYZYYJJF-KGLIPLIRSA-N 486.348 1.751 30 10 JDEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1595854817 OAGMVIVUHOWONG-KRWDZBQOSA-N 453.576 1.802 30 10 JDEE CO[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)(C)C 1618994083 DCBKAXJQNVHHFW-OALUTQOASA-N 487.630 1.835 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCN2CCC(O)CC2)c1 1689870602 UBJPQDZEWNBMCQ-UHFFFAOYSA-N 476.585 1.582 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1689978591 ZSDLNVUYONIHBV-XGHQBKJUSA-N 451.593 1.391 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCS(=O)(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689986001 GRVOIRWMIHIFMF-QGZVFWFLSA-N 494.639 1.794 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1689996051 DDBZEAZGKHJNDO-QGZVFWFLSA-N 471.539 1.837 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1689998072 AXYWZQDSVOUASJ-IHPCNDPISA-N 459.572 1.267 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCCCO2 1690047140 MALRRJMJTYSQCC-JOCHJYFZSA-N 499.593 1.284 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCOC(C)(C)C1 1690088517 NZUYNXNONYNSHR-GOSISDBHSA-N 492.621 1.778 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCNC(=O)OC(C)(C)C)CC1 1690110409 LCZJBJKXCXODKI-UHFFFAOYSA-N 461.611 1.867 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1690134981 NNOHZZHKKGITIR-FQEVSTJZSA-N 471.650 1.750 30 10 JDEE C=C(C)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1690299424 QWLRZTVAVJNMHN-VQHPVUNQSA-N 467.592 1.832 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1690661929 LMUJHTMTJJYDIL-QHCPKHFHSA-N 470.530 1.132 30 10 JDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1690669486 GVMDWNBPQPNLNS-SFHVURJKSA-N 457.623 1.807 30 10 JDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1690742347 NPCYDIHMDAWLBA-VQTJNVASSA-N 477.679 1.380 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(N2CCCCC2)c1 1705495856 WXBOVZLOICEDLT-AZUAARDMSA-N 487.630 1.503 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(N2CCCCC2)c1 1705495857 WXBOVZLOICEDLT-ICSRJNTNSA-N 487.630 1.503 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2ccco2)c1 1705503789 DZEHQDUJWWNNMN-UHFFFAOYSA-N 489.536 1.593 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1705559080 QKPWZKOYMINSLJ-SLFFLAALSA-N 477.631 1.592 30 10 JDEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1705561563 QYKDIYCXBVUNHQ-QGZVFWFLSA-N 487.607 1.473 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1705568209 JGRDRDOJBZZXCG-IBGZPJMESA-N 487.626 1.873 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCO[C@H]1C 1705630622 APXZTPNPETZUAO-BSRJHKFKSA-N 463.579 1.976 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCN(C)S(=O)(=O)CC)CC1 1705637349 SUGFCDGOSHYIMR-UHFFFAOYSA-N 460.604 1.381 30 10 JDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1705641717 QAJWEICLKCYMFC-UHFFFAOYSA-N 457.600 1.480 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@H]2C)CC1 1705644654 YJMQNGMXEZLINH-GOSISDBHSA-N 464.574 1.376 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(O)CC(OCC)C2)CC1 1705645756 DFLRKOSRPYIAPK-UHFFFAOYSA-N 497.596 1.858 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCN2CCCO[C@@H](C)C2)CC1 1705649051 IPECREFYEFXEDZ-FQEVSTJZSA-N 465.602 1.807 30 10 JDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705657266 YSQNFRGZUIVBAB-UHFFFAOYSA-N 484.582 1.213 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCCC2=O)CC1 1705661995 MWXOYEKVWIZNIG-QGZVFWFLSA-N 465.645 1.528 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1705693590 IHEUCOMJPPRFCY-CGXNFDGLSA-N 488.633 1.863 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NCCOC)CC1 1705699346 FRVACWXOSQDYRG-ONTIZHBOSA-N 476.622 1.386 30 10 JDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)N2CCSCC2)CC1 1705781244 UFVNARJQTNDDOV-UHFFFAOYSA-N 491.643 1.706 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1705899368 QFIMBAJGMGLQKF-PXNSSMCTSA-N 465.558 1.486 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1705907009 XLKWOHJOHCYHFV-INIZCTEOSA-N 491.474 1.536 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1705909377 VMICSOPLMHABBI-BBWFWOEESA-N 498.650 1.910 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1CCC(=O)N1CCOCC1 1708152444 DRCUXCKUJJLXDV-SFHVURJKSA-N 481.605 1.492 30 10 JDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCn2cc(Br)cn2)CCOC1 1710482154 BBJUFQAJDKSCFN-QFBILLFUSA-N 480.367 1.708 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CC(=O)N(C)CC)c1 1722307284 LAQWGIWOIHNYES-UHFFFAOYSA-N 462.558 1.674 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCS(C)(=O)=O)c1 1722309853 QLYWHZZUEGKEKT-UHFFFAOYSA-N 452.540 1.749 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn(C)nc1-c1ccccc1 1722353765 ZPWNIBJHAJQUOU-LJQANCHMSA-N 469.571 1.129 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1722364845 MOYNXSNRGUCCFW-MJGOQNOKSA-N 491.589 1.956 30 10 JDEE 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C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2Cc2nncn2CC)c1 1740561789 ISNZSPOGDOYDDA-XMMPIXPASA-N 478.557 1.646 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1740592271 UUXKTQOMLDIKPR-AWEZNQCLSA-N 487.508 1.260 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1740619440 ONWZMZYSZYSVPD-TZIWHRDSSA-N 474.583 1.776 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740626843 CVDRSUTUDURXIO-KRWDZBQOSA-N 491.589 1.785 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CC(C)(C)C(=O)NC)CC1 1740695022 AFISOJVLKNYYHT-UHFFFAOYSA-N 490.612 1.763 30 10 JDEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)NC)CC1 1740710969 HAJSLYONZAENBF-UHFFFAOYSA-N 452.382 1.864 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1740805584 RWBSXVROHDXBEK-FQEVSTJZSA-N 467.979 1.944 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](NC(=O)CC)C1 1740953536 JFLDOKDHTHPVIE-KRWDZBQOSA-N 456.547 1.760 30 10 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30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1748823923 FPQLUVGZBDWZST-FQEVSTJZSA-N 487.626 1.873 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CCNS(=O)(=O)CC)CC1 1748984334 JVRFVXLNTRDMBX-UHFFFAOYSA-N 453.572 1.188 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCO[C@H](C)C2)CC1 1748999066 HIDPRNRHNRKABQ-JOCHJYFZSA-N 477.613 1.985 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@]2(O)CCOC2)CC1 1749005122 SCFYBLGIANZTRE-PXDATVDWSA-N 451.571 1.937 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H](C)SC)CC1 1749010000 ZFPLCEGNPMDJOG-INIZCTEOSA-N 489.671 1.956 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1749140837 TYFWFUWDIHSIQW-WEYGHZABSA-N 471.558 1.798 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1749677693 IGEDFHJZJIFSEB-GOSISDBHSA-N 466.542 1.805 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCS(=O)(=O)NC)C1 1749710548 YIRIKEOPSUKFTH-ROUUACIJSA-N 498.650 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C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc(C)o1 1749725894 WAICGMAWMWREII-HZPDHXFCSA-N 471.605 1.732 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCN1CCOCC1 1749727509 WGCXPJUSKZTOBY-UHFFFAOYSA-N 454.984 1.363 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1749729519 MGKAMBFALBVYMA-UHFFFAOYSA-N 487.626 1.930 30 10 JDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NCCOC)CC1 1760134862 ASOCOSRQUMEJFA-UHFFFAOYSA-N 491.596 1.975 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1760182136 GXLHOFVXPGXIGK-RBUKOAKNSA-N 485.614 1.427 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1760185609 ABTSFXLJPMKPHX-HOTGVXAUSA-N 498.577 1.209 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1760190061 NXHMHTQECYLCHP-GOSISDBHSA-N 461.563 1.551 30 10 JDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1760192138 RITRKBHZPOEPBB-RQZFFVEVSA-N 473.624 1.676 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(O)CCOCC1 1760247630 IXYAPDJQOMQUCP-UHFFFAOYSA-N 480.569 1.863 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccccc1F 1760294681 DHGZEUXTKVKWKH-OPAMFIHVSA-N 459.547 1.741 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCN(CCC)CC2)C1 1760541962 BUPKXWFVFXUEHM-SFTDATJTSA-N 496.678 1.514 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760552477 PIFITHLLZPFNQQ-UHFFFAOYSA-N 461.592 1.571 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C(C)=O)C[C@H]1C 1760557054 YUENJBQJTFDLFJ-CQSZACIVSA-N 452.606 1.292 30 10 JDEE COc1cccc(C2(Cn3c([C@H](C)NS(C)(=O)=O)nnc3N3CCO[C@@H](C#N)C3)CC2)c1 1770312402 GXQLGMDXQRQDSW-YJBOKZPZSA-N 460.560 1.357 30 10 JDEE C[C@@H](NC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1)C(=O)Nc1ccccc1C#N 1866645944 AWQJOWWSZZFCNC-RDTXWAMCSA-N 475.548 1.276 30 10 JDEE COc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)c(OC)c1 1870098725 TUKOWPDMCBVEBU-UHFFFAOYSA-N 468.451 1.183 30 10 JDEE C=CCOc1cn(CCN2C(=O)CSC2=O)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870388043 DWCPNPKTLABIGD-UHFFFAOYSA-N 464.544 1.383 30 10 JDEE CN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)CC2)CC1 1890424718 NPLAMLBUSGDLTG-HXUWFJFHSA-N 482.581 1.027 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC(C)(NC(=O)OC(C)(C)C)C1 2255751109 VEGCCLWFZWBUPU-UHFFFAOYSA-N 456.374 1.007 30 10 JDEE CN(CCN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C(=O)OC(C)(C)C 2255947585 BHBCSMVHEWFAHJ-UHFFFAOYSA-N 458.390 1.207 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC[C@H](OCc2ccccc2)C1 2267705082 DTMRIKXRXKIFDH-KRWDZBQOSA-N 462.381 1.484 30 10 JDEE Cc1nn(C)c(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1B1OC(C)(C)C(C)(C)O1 2281977215 MEPJMBGSWFQPOV-HNNXBMFYSA-N 464.372 1.393 30 10 JDEE CC(C)(C)OC(=O)N1CCn2[nH]c(=NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)cc2C1 2281989179 WMYWCHPEPBLODS-UHFFFAOYSA-N 458.328 1.330 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1COCCN(C(=O)OC(C)(C)C)C1 2282006367 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C[C@H]1CN(Cc2ccccc2)C[C@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282864772 KOSIJNIRNBIBES-PKOBYXMFSA-N 474.436 1.766 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282869187 YTAOAVVHIJIBBZ-OAQYLSRUSA-N 483.396 1.031 30 10 JDEE CC(C)(C)OC(=O)NCCc1nc(=NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)s[nH]1 2283069423 PDXUELNFSPNVOZ-UHFFFAOYSA-N 476.368 1.369 30 10 JDEE C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2283946107 JTOLPHCJMGLBDD-PBHICJAKSA-N 461.368 1.932 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2284123900 BQPGHUYLFGKIHF-AOMKIAJQSA-N 482.408 1.396 30 10 JDEE CC(C)(C)OC(=O)NC(CO)(CO)CNc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2317218678 NXFLRYNDQHMQAL-UHFFFAOYSA-N 457.764 1.694 30 10 JDEE COc1ccc(OC)c(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 2327842522 LQVUTLLKMYKBIH-CQSZACIVSA-N 460.560 1.869 30 10 JDEE COc1nc(N2CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365344465 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C#CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)C(=O)OC 1141995252 LPJBHBPFUPIMSK-GOSISDBHSA-N 458.492 1.943 30 10 JDEE C#C[C@@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(F)cc1 1159134086 WWFBYTVPIVPELD-OAQYLSRUSA-N 457.527 1.930 30 10 JDEE C=CCN(C(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O)C(C)(C)C 1279621272 PFYHNMBSXVBJRD-UHFFFAOYSA-N 453.543 1.868 30 10 JDEE C#CCN(c1nnc([C@@H](C)CC)n1CCN1CCN(C)C(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1286386314 YJSMMWWKHGHKTN-RBUKOAKNSA-N 450.653 1.444 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccnc(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1286392279 LIGOXMOWFRKCJR-INIZCTEOSA-N 451.499 1.902 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccc(N2CCCCC2)nc1)[C@@H]1CCS(=O)(=O)C1 1286394187 HOJRZCRAQWDHNO-HXUWFJFHSA-N 472.615 1.875 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)Cc1ccccc1 1286448182 QZXACVUPWRWSST-IBGZPJMESA-N 464.613 1.645 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1286484708 NKCKPUGCKFBJMV-LJQANCHMSA-N 480.539 1.158 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cccc(NC(=O)[C@H]3CCCO3)c2)CC1 1286493032 SLAQNJILKXZEBF-JOCHJYFZSA-N 494.596 1.946 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1286509636 VHEHDRROKQPOGV-SJORKVTESA-N 483.660 1.898 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N(CC)CC)CC1 1286546072 FZNPCHWVGVPWSA-QRVBRYPASA-N 497.666 1.453 30 10 JDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1286607288 NUFAPOPEMYUXLU-LJQANCHMSA-N 456.595 1.404 30 10 JDEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)COC)CC1 1286708689 RTGPFJCTVATWQJ-UHFFFAOYSA-N 467.368 1.923 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1286781976 GNSCVJZFKRYFNG-GOSISDBHSA-N 471.587 1.227 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCOC[C@@H](C2CCC2)C1 1286789270 BNXKVWTWNKMVET-KRWDZBQOSA-N 458.588 1.825 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC=CCC2)cc1 1286796452 MGRUVGYWAPCDIN-FQEVSTJZSA-N 459.572 1.990 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1286814144 LGUMEFQXZPYATK-UHFFFAOYSA-N 486.642 1.746 30 10 JDEE CCN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)C 1295844710 FCSSWPXQWJXRFG-LJQANCHMSA-N 451.579 1.553 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc(CCC)nc1C 1300308141 MNOCCWDMSGQZOW-RHSMWYFYSA-N 450.565 1.366 30 10 JDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1300478853 DGUKFLINRXKIQJ-SFHVURJKSA-N 479.990 1.525 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(F)cc1C)[C@@H]1CCS(=O)(=O)C1 1300491876 JKCYRRJLIQBIJB-HXUWFJFHSA-N 456.547 1.996 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1CC[C@H](C(F)F)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300492191 LUISSQGTPZBNEM-QZTJIDSGSA-N 471.574 1.528 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1300729435 ZOQHOCDBUJMIAV-SFHVURJKSA-N 454.600 1.811 30 10 JDEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)CC1 1300734253 UOCRSQHIHJTMJQ-UHFFFAOYSA-N 460.991 1.896 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2O)C1 1300875719 PZMVVBJYIIXABA-HFTRVMKXSA-N 462.576 1.533 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)CCC)CC1 1300952509 XFAZWYZRCZSZQU-KRWDZBQOSA-N 454.597 1.072 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC(C)(C)C1 1300990366 JURAOLXRKAPFDI-QGZVFWFLSA-N 471.624 1.598 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1301484893 OTEGYOPQYHXGQW-FQEVSTJZSA-N 459.348 1.726 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1301589909 ZXVYDXDSHBFCKJ-MRXNPFEDSA-N 455.581 1.440 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(c3ncc(Br)cn3)C2)s1 1302820013 ZXFOWJBRZXSPQO-UHFFFAOYSA-N 457.375 1.933 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1303410971 CPABUVXALXTRPY-GHTZIAJQSA-N 467.574 1.414 30 10 JDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)C1=O 1309444259 HVLFEQVFACBLNU-GOSISDBHSA-N 455.602 1.577 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1c(C)cccc1C 1358891091 ZGIVPEFVUHKNKK-RTBURBONSA-N 461.588 1.765 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2nncn2C)c1 1358900651 POCZYYDFAGTSJQ-UHFFFAOYSA-N 470.497 1.158 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1cc(OC)cc(OC)c1 1358929552 CERZVXOYAITVLA-LJQANCHMSA-N 463.560 1.810 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358960237 ZZAQSNDLUQBLSZ-HXUWFJFHSA-N 485.610 1.983 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)CN2CCOCC2)CC1 1359031201 TXSQQIICKZSPNA-SFHVURJKSA-N 490.450 1.770 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCC(F)(F)F)CC1 1359035809 FAQDQMSHFVZFLU-CQSZACIVSA-N 451.540 1.231 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(NC(C)=O)nc2)CC1 1359041619 CTCYHXQQHHRGJB-VWLOTQADSA-N 495.584 1.298 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(CC(=O)NCC)CC2)nnc1[C@@]1(OCC)CCOC1 1359105234 LTYBAJXZSQYJIE-ZCVJKFOLSA-N 476.622 1.170 30 10 JDEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C(=O)NC 1359133739 YLKDXAQTWZXGKW-QZTJIDSGSA-N 480.610 1.998 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1359228222 WZZVZGCIJNPZAW-PKOBYXMFSA-N 464.592 1.567 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)c1ccccc1 1359272231 NPQMJBUXTUUJQS-QGZVFWFLSA-N 450.586 1.833 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1359292252 LIPLUFPVTXKWBD-SJORKVTESA-N 456.547 1.786 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1359335090 ZVUZWIGHJUXVAA-OAHLLOKOSA-N 479.525 1.549 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1359343575 WJIBLQUBPBNSNF-WMZOPIPTSA-N 481.648 1.258 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507527071 GBDLIXBJGXODKV-ROUUACIJSA-N 453.572 1.870 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507627598 DYPDMKFSDLXXQL-XZOQPEGZSA-N 496.637 1.800 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1507627991 LZSDMLAPSDYDIP-UGKGYDQZSA-N 457.556 1.231 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCN(CC)CC1 1507662277 HSSIOMBZMSEFLR-UHFFFAOYSA-N 482.654 1.839 30 10 JDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1ccc(S(N)(=O)=O)cc1 1507690481 UERWAQNZBSUURG-UHFFFAOYSA-N 494.625 1.802 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CC(=O)N(CCOC)C1 1507699336 BQVCYRRPTREACG-UYAOXDASSA-N 468.533 1.503 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](CC)Oc2ccccc2F)CC1 1507722372 VLXXVWVZCCVXTN-ROUUACIJSA-N 478.594 1.640 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2csc(CC)n2)CC1 1507734462 XHWNCFOJPQLLCD-UHFFFAOYSA-N 457.604 1.644 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C(=O)NC 1507752028 UGWNWZBNPMRENY-IAGOWNOFSA-N 480.635 1.771 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCC(N)=O)CC1 1507800936 ZSDHKWKSIHKCFH-BJLQDIEVSA-N 465.620 1.643 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1507844566 LVDXAIYYROINKX-MSOLQXFVSA-N 464.592 1.923 30 10 JDEE C=C(C)COCCn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507849203 ULNXMEHIYODNHJ-RPWUZVMVSA-N 490.605 1.726 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1507857343 SZPJERIUVGJGMZ-HXUWFJFHSA-N 464.979 1.807 30 10 JDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507928199 CBWKJFUDDHQMKX-UHFFFAOYSA-N 468.562 1.856 30 10 JDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CN(CCOC)C(=O)OC(C)(C)C)c1 1518824326 CUJVGLYBMVMRKC-UHFFFAOYSA-N 459.543 1.743 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1524515957 QMOSEBWNVKKOHC-APWZRJJASA-N 454.545 1.954 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1539125903 PSDMJJJYQUOYJB-DLBZAZTESA-N 461.592 1.422 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1cc(C)nc(N2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 1539230815 KVOJVOBEKYDQOT-HXUWFJFHSA-N 472.615 1.793 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1CCC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539231188 SUDQWLLJHNSVEJ-QFIPXVFZSA-N 499.637 1.329 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1539242181 POVVLOCQRIXKCG-IBGZPJMESA-N 463.357 1.330 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCN1CCCS1(=O)=O 1539251666 MHOQYSVGZOITIM-UHFFFAOYSA-N 492.399 1.825 30 10 JDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(C(N)=O)CCOCC1 1539347348 PPJGOSFGDJFEPT-UHFFFAOYSA-N 473.603 1.288 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1cccc(C)c1 1539416654 RBIABXDGIXOOFP-TZIWHRDSSA-N 475.615 1.809 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2COCCO2)CC1 1539490489 WLRTVNIASCZMOX-SFHVURJKSA-N 457.506 1.377 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1539803017 DAZHNAYCTFOEKQ-HUUCEWRRSA-N 462.967 1.309 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1539918039 ZRFPAOOMZUHVPU-ZWKOTPCHSA-N 495.650 1.254 30 10 JDEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@H]2C1 1540037449 LNTFWGRASISZTQ-RBUKOAKNSA-N 490.605 1.990 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1540861834 IFXZRAQZYIVJDU-QGZVFWFLSA-N 489.621 1.946 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1540863345 UQNPKMUDWBTIQC-SOLBZPMBSA-N 456.522 1.916 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1540872972 ICWZSTAATSFWTK-UHFFFAOYSA-N 493.543 1.433 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1540874253 ZSMMVYWBUBOJSQ-ROUUACIJSA-N 487.605 1.538 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1540901524 GNHJCKDTSICGEN-UHFFFAOYSA-N 482.632 1.015 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1540907711 FWERAVZQXIZMSB-WOJBJXKFSA-N 494.662 1.253 30 10 JDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1540910596 LEJMMDDCQYDBKJ-UHFFFAOYSA-N 499.684 1.786 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCc1cccnc1 1541947250 IFHPHTCJDZAWRA-DYESRHJHSA-N 481.582 1.976 30 10 JDEE N#Cc1cccc(-c2cnc(CNC(=O)c3sccc3S(=O)(=O)N3CCOCC3)[nH]2)c1 1545620537 HLXCBNQRLCXILJ-UHFFFAOYSA-N 457.537 1.961 30 10 JDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1548322152 HONMZXADGPRQGX-UHFFFAOYSA-N 481.600 1.177 30 10 JDEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)Cc1cccnc1 1548371092 OSDAWIBPPDEYFI-HXUWFJFHSA-N 475.471 1.995 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(-c3ccccc3C)c2C(F)F)CC1 1563020789 DVBDOJWEZPPIBS-UHFFFAOYSA-N 452.487 1.735 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588024455 DGDBPGLPXPYPRK-FCHUYYIVSA-N 498.653 1.708 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](N1CCOCC1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1588028915 APQFCFSLOAPPJH-IXDOHACOSA-N 477.553 1.681 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1588034114 BGVYGRBQYDPMBS-MSOLQXFVSA-N 460.556 1.768 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1588034557 IKQNSEBQVMQABY-NZQKXSOJSA-N 473.599 1.583 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1588035299 RBTSIWHIIPFAQP-GOEBONIOSA-N 453.590 1.442 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1(CS(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1588058762 BXMFSPIAGQZBOD-INIZCTEOSA-N 456.634 1.318 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588068954 CQOOCJUMFWEVOI-RTBURBONSA-N 464.636 1.004 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCn2cc([C@@H]3CCOC3)cn2)CC1 1588884529 DCDMTPUZTSRMEC-LJQANCHMSA-N 453.591 1.942 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCn2c(nnc2-c2ccccc2)C1 1588985681 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30 10 JDEE C=CCNC(=O)Cn1c(N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)nnc1[C@@]1(OCC)CCOC1 1705908180 KJZKPRMILJESNS-MZNJEOGPSA-N 487.557 1.303 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1705930572 QHOUYJKGZAPMGF-INIZCTEOSA-N 457.597 1.732 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1705935818 DMDIHQGWCMPYMU-VAMGGRTRSA-N 467.636 1.320 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@H]1CCOC1 1706891559 GOFHNZYGLKNWDI-VDZJLULYSA-N 460.560 1.374 30 10 JDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1711414841 FYNHLNNIKMYILF-HKUYNNGSSA-N 453.547 1.863 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2cccn2)cc1 1712453873 BXSRIJDLSBQVDH-IBGZPJMESA-N 469.571 1.781 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCCN1CCCC1 1722295450 KLEQWWUTDGEEMJ-RBUKOAKNSA-N 452.625 1.335 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(F)cn2)c1 1722305190 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C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(N)=O)C1 1740888492 TXHMHFIWTVOGMH-MSOLQXFVSA-N 478.594 1.881 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCO[C@@H]1C 1740919977 YXERMFQDARSFKT-GCKMJXCFSA-N 467.567 1.760 30 10 JDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1740948575 OOGGVDCGXAHUNH-KZNAEPCWSA-N 491.618 1.452 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(=O)COC)CC2)cc1 1740966208 KEHRDQYJCUBQJS-IBGZPJMESA-N 454.531 1.137 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OC2CCCC2)CC1 1740990998 LUKPDHMDJVOURG-GOSISDBHSA-N 451.593 1.758 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1740992129 BCUKMBDRJVGYMA-XMSQKQJNSA-N 461.588 1.639 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)C(C)(C)C 1748665677 TZNIOSXDFFGQQO-OAHLLOKOSA-N 456.572 1.863 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c(OC)cc(OC)cc1OC 1748670562 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C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C)C1 1359301477 ZIBRHHSLEIOJBY-HOTGVXAUSA-N 450.540 1.114 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)NCC)CC1 1359330703 AFUOGXZLQLRRML-UHFFFAOYSA-N 485.614 1.889 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCN1CCOC[C@@H]1C 1360237499 HGAUZEBLWVZRKE-SFHVURJKSA-N 484.580 1.474 30 10 JDEE CCCN(CCC)S(=O)(=O)N1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 1463656443 DKPLMCJCPAXUTJ-UHFFFAOYSA-N 450.533 1.510 30 10 JDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1507618080 HDHWNIAUPPHGJO-MRXNPFEDSA-N 465.587 1.840 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1507624441 AFKKQJXTJZCDPN-OXQOHEQNSA-N 465.601 1.450 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1507624550 BKMZYXGCTMHPCA-QZTJIDSGSA-N 450.948 1.641 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1507627003 HVYWQOGAEYICSQ-QGZVFWFLSA-N 459.963 1.596 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2CCC(=O)N2)CC1 1507721435 OWWJWEHEEFEWQC-LJQANCHMSA-N 452.559 1.775 30 10 JDEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)NC)CC1 1507744332 KSHUKIGPEZZLBD-UHFFFAOYSA-N 466.409 1.874 30 10 JDEE C=C(Br)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](CNC(C)=O)C1 1507780718 GBAWGGIXKODDBQ-OAHLLOKOSA-N 464.320 1.924 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1507810134 ZPAWOXNOIMKDRC-OTWHNJEPSA-N 453.609 1.876 30 10 JDEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCS(=O)(=O)C1 1507821763 KWKQLDLPJNHPDG-LJQANCHMSA-N 453.590 1.222 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1507836831 AYLCGJRPEGZKMF-QGZVFWFLSA-N 496.659 1.895 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1507944869 WNZCYRVORMPSES-CVEARBPZSA-N 459.580 1.231 30 10 JDEE C=CCN(C)c1nnc(COc2ccccc2OCC)n1CC1(O)CCS(=O)(=O)CC1 1507986747 UKLHRDLDGMTWLY-UHFFFAOYSA-N 450.561 1.818 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1508139699 IRCXZSJYBPYBSP-MRXNPFEDSA-N 492.602 1.348 30 10 JDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NC3(C#N)CCSCC3)ccc2F)CC1 1518371697 WBVLVOOFMLAHJQ-UHFFFAOYSA-N 454.549 1.198 30 10 JDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CN(CC(C)C)CCO1 1518517361 BVBPEBMRRYRDSD-WOJBJXKFSA-N 470.574 1.951 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(CC(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1539203129 NYRFELYHJMPCPD-IRXDYDNUSA-N 471.649 1.341 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1539218926 FZFVZBZPRYBLKW-GHTZIAJQSA-N 492.045 1.870 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1539238733 BOOKVHKDDNGCSA-IFMALSPDSA-N 484.626 1.343 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(COC)cc2)CC1 1539469960 VVJBDYGIQPRHNA-QGZVFWFLSA-N 488.614 1.049 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCN(C(C)C)CC1 1539670036 WMHDBUGEKKMDRN-IBGZPJMESA-N 484.667 1.249 30 10 JDEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539717690 RRRJLWCKNTVQMH-UHFFFAOYSA-N 456.522 1.843 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1540035283 AGZSYPGNTHQDAR-IAGOWNOFSA-N 469.608 1.876 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cc[nH]n1 1540136681 JONBHMFNRRORQB-KRWDZBQOSA-N 487.561 1.665 30 10 JDEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1540859999 CURRMQHEHYRAMV-UHFFFAOYSA-N 478.344 1.685 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1540871069 COFGRSYXMLQRMA-XLIONFOSSA-N 468.558 1.834 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(N)=O)C1 1540879983 SYNGMPCRAGGLAI-WBVHZDCISA-N 462.576 1.203 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2ccccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1552391362 CQVRNCLOJUTGDC-UHFFFAOYSA-N 480.598 1.868 30 10 JDEE CS(=O)(=O)CCN(c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOCC1)C1CC1 1555804816 GTMXGTQNNLCCLY-UHFFFAOYSA-N 458.588 1.552 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 1558073733 YNUIUOPRNDROLB-MSOLQXFVSA-N 456.609 1.462 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1562066856 SZJBABIDEOSBRP-LESCRADOSA-N 457.574 1.255 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCS(=O)(=O)C1 1587581287 ZHXZSVCRXAAOKS-JKSUJKDBSA-N 465.601 1.088 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc2c(c1)OCO2 1587639427 LQVDNJFVPNENHJ-UZLBHIALSA-N 489.598 1.775 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@@H]2CC(=O)N(CCOC)C2)c1 1587689519 JTTJLYOJUZBHPQ-LJQANCHMSA-N 475.553 1.824 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCC[C@@H](C)C1 1588138396 CEPAFCLLVIAEFS-RTWAWAEBSA-N 476.647 1.196 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(C)COCCO1 1588214505 UVUAEJHWNTYEFO-JOCHJYFZSA-N 456.572 1.507 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(F)F)cc1 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C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCN2CCCO)CC1 1705645800 FQDLJQUQGLBFFP-FQEVSTJZSA-N 486.020 1.806 30 10 JDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705680438 ASAZNZWXVFELSF-OAHLLOKOSA-N 487.399 1.084 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1705725922 YPVSEYGBCSVZKF-OALUTQOASA-N 465.576 1.966 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1705895514 JFPMFDYQGVPTNJ-UHFFFAOYSA-N 493.586 1.287 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1705932204 OSYHNEHIGWJBJW-UHFFFAOYSA-N 477.612 1.924 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1705934522 ONONKBLQCFLQIG-WMZOPIPTSA-N 478.644 1.775 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)CN3CCCCC3)CC2)c1C#N 1707807532 CXCSRWWFYNKKEV-IBGZPJMESA-N 496.664 1.779 30 10 JDEE CN(C)CCN1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CC1 1711012726 FOPFDZVTIGXQDF-UHFFFAOYSA-N 450.591 1.417 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H]2COCCO2)c1 1722306834 FZFWYHXRFJZQRP-NRFANRHFSA-N 463.542 1.611 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1722332547 MLYBDYOGBXBJGH-MJGOQNOKSA-N 461.592 1.142 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1722371327 VGYPZJDLZADXSG-LJQANCHMSA-N 460.531 1.970 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1722373615 OTZYODSZKIPGQJ-DNVCBOLYSA-N 469.489 1.411 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCN(c2ccncc2)CC1 1722386986 DMKODUGOHGABCY-UHFFFAOYSA-N 497.607 1.996 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-c1cnn(C)c1 1722413489 MUWRXCVREXOLEI-NRFANRHFSA-N 483.598 1.519 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CC(=O)N1CCOCC1 1722421187 HJQRBJJYZJHFCY-UHFFFAOYSA-N 465.533 1.777 30 10 JDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(OCC(=O)N(C)C)c1 1722430950 KZSXVMLWLVAPHI-UHFFFAOYSA-N 464.526 1.981 30 10 JDEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1722564376 OVOADRWCOOLFCO-RUZDIDTESA-N 482.585 1.739 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1722698803 MQCKKDNMNSZYBF-MSOLQXFVSA-N 488.614 1.206 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CC2(O)CCCCCC2)C1 1731012491 HTXKUJIAAQILDS-SFHVURJKSA-N 466.608 1.436 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1740589791 BOSZUSOJLOLIMG-IPMKNSEASA-N 465.620 1.808 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1740589969 DQYXOLWRSUOBRX-UXHICEINSA-N 495.552 1.881 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1740616089 RWTRCRLAGSGDFW-HXUWFJFHSA-N 481.582 1.556 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)(C)C 1740639884 GORNFAWXXXHULH-SFHVURJKSA-N 472.590 1.822 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1740684109 KBRIDAVOWZUYQK-SFHVURJKSA-N 498.609 1.728 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN2CCCCC2=O)CC1 1740703428 SBDBWZNKRHJYNI-RUZDIDTESA-N 486.617 1.299 30 10 JDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1740942925 SEHFGOBRZGLQOI-KGLIPLIRSA-N 467.983 1.978 30 10 JDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H](C(F)(F)F)O1 1743253983 GDLOHYAHGXSRNM-YOEHRIQHSA-N 499.515 1.912 30 10 JDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1747418664 CXRBJOOCBVMOAH-UHFFFAOYSA-N 480.616 1.112 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CC[C@H](C(F)F)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748810239 UUSYTIGMHHGFGC-VQTJNVASSA-N 493.580 1.928 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1748820960 KFIISSDZFBLUFY-KRWDZBQOSA-N 493.536 1.677 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748825338 XUCRXQOGBKLGDN-QWFCFKBJSA-N 479.647 1.692 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)Cc2ccccc2C1 1748930040 WLCNZTDWQGSSBH-NRFANRHFSA-N 486.642 1.170 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1748984885 UWCXUJJOUNRVBG-JOCHJYFZSA-N 460.630 1.846 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1749016644 IUTMJFUJZBKQOT-LJQANCHMSA-N 498.701 1.626 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)COC)CC1 1749115411 PNZJSQADTUAXDC-PXNSSMCTSA-N 462.595 1.473 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(C)(=O)=O)CC1 1749141393 BMBWCTJXGJBZPX-XWSJACJDSA-N 469.608 1.065 30 10 JDEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749219684 PBSOTTDUVUEGIF-UHFFFAOYSA-N 484.601 1.527 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1749226502 RERVRRKBGITPCH-FQEVSTJZSA-N 467.574 1.583 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CC)C(=O)OC(C)(C)C 1749493310 AOHJXPOFIVDGCU-MRXNPFEDSA-N 472.612 1.490 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1749671421 ABQZCBJQYISELW-QGZVFWFLSA-N 451.980 1.838 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](Cc2ccccc2)C1 1749683179 LFMKOUFDATXZLG-VWPQPMDRSA-N 455.559 1.752 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC)CC1 1749686654 CXNZHVQRHXHPJC-KRWDZBQOSA-N 492.602 1.780 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CCN2CCN(C(C)=O)CC2)C1 1749704097 VTZMZOOWDCDNHP-FQEVSTJZSA-N 454.575 1.899 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1749729864 UYBOEYUWXXPFRQ-UHFFFAOYSA-N 499.634 1.935 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1749738215 JAMWEOHVRBUXLK-UYAOXDASSA-N 473.599 1.968 30 10 JDEE CC1(C)CN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)CCO1 1751300122 GMXJZUWZCZKIRS-UHFFFAOYSA-N 458.588 1.408 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(N2CCCC2=O)c1 1760116123 FLBSFYQKTJEQKC-YLJYHZDGSA-N 486.598 1.244 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1760180261 BDEMGNVCBUFJGO-OAHLLOKOSA-N 497.419 1.151 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760184812 MDIUFKAZGPJSPK-REWPJTCUSA-N 496.637 1.944 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C[S@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1760187163 IIFPMHMVDOQOPP-RFUPEKLASA-N 476.624 1.336 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1OCCC)[C@@H]1CCS(=O)(=O)C1 1760187288 IZNNCVBDDCSBHL-MSOLQXFVSA-N 472.571 1.088 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1760191976 OUHGWPLSQNCEMB-FQEVSTJZSA-N 453.572 1.372 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1760192726 XJFRGUZESPBNMK-GOSISDBHSA-N 457.556 1.084 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(SC)CCN(C)CC1 1760209683 GRNRMBKWBGDKHE-QGZVFWFLSA-N 452.650 1.179 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1760284284 JCTCBHWHFSTYKB-UHFFFAOYSA-N 480.638 1.967 30 10 JDEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](C(N)=O)C1 1760284525 NMTDCUITFMHDLM-OAQYLSRUSA-N 481.670 1.711 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCS(=O)(=O)CC 1760312568 AICHQKXYULVQMP-AEFFLSMTSA-N 462.576 1.778 30 10 JDEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1760347958 IMUALGXJMRPVTM-UHFFFAOYSA-N 483.554 1.945 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCn2cc(Br)cn2)C1 1760550025 QMSHBGNSICTWGF-INIZCTEOSA-N 464.368 1.841 30 10 JDEE CN(C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CCCCC1 1766903813 HLZZEMIIVDFCCB-IBGZPJMESA-N 479.651 1.615 30 10 JDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)CCN1S(C)(=O)=O 1770661133 BNUZKZYAXNURJV-INCQDFKNSA-N 462.601 1.198 30 10 JDEE C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1861501101 SFXGOAXEKGDIGB-SFHVURJKSA-N 455.511 1.472 30 10 JDEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCN(CCO)CC2)=C(N)Oc2c1c(CC)nn2CC 1865224683 JHEPFBJJGZTBGM-OAQYLSRUSA-N 481.597 1.861 30 10 JDEE COc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)c(OC)c1 1870098944 ZWAWTOCCJZFCMW-UHFFFAOYSA-N 483.554 1.709 30 10 JDEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(C)=O)s2)c(=O)cc1CN1CCN(C)CC1 1870584937 KTOBLQHOZCXPPW-UHFFFAOYSA-N 459.572 1.767 30 10 JDEE CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2183879915 JKOVVZQRAZXQLU-JKSUJKDBSA-N 462.356 1.986 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2255843924 NXEGGHJCNLMABU-OCCSQVGLSA-N 453.370 1.400 30 10 JDEE Cn1ncc(C(=O)NCCOCCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267009336 NOKIUTMIJDFUEZ-UHFFFAOYSA-N 452.361 1.381 30 10 JDEE COCC[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)NC(=O)OC(C)(C)C 2267270029 IYTMJZBSYRTJPB-MRXNPFEDSA-N 451.373 1.984 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H](NC(=O)OC(C)(C)C)C1CC1 2267368286 GXTMTRRQRCOIJX-AWEZNQCLSA-N 470.401 1.301 30 10 JDEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 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484.428 1.786 30 10 JDEE CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282544961 UUSNUVDUGQMBFY-DEOSSOPVSA-N 454.380 1.428 30 10 JDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCO1 2282557773 ZYBJPFVKMBZMJP-GDBMZVCRSA-N 464.372 1.474 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 2282587646 AOOQJOOGPGNRTE-OAHLLOKOSA-N 464.372 1.568 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 2282591822 VHBHRFSXSFWVNM-CABCVRRESA-N 464.372 1.302 30 10 JDEE Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282659774 QFJDPJBVDXQQHP-UHFFFAOYSA-N 450.352 1.906 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]2C1 2282674343 JIWHOILCMSHIHD-NJAFHUGGSA-N 459.352 1.745 30 10 JDEE CC(C)(C)OC(=O)N1CC(CO)(NS(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282837105 BKOPRCLQYTVRBV-UHFFFAOYSA-N 482.408 1.387 30 10 JDEE 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CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2365423757 IGVFSFGEUHCEMP-ZDUSSCGKSA-N 466.340 1.667 30 10 JDEE COc1ccc(CNC(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)cc1OC 20914548 LFSFKMDRBUUHML-FOKLQQMPSA-N 457.516 1.569 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)C[C@@H](C)O3)c(=O)n1C[C@H]1CCCO1 514492598 NQGTXAZXQCHGQJ-CRAIPNDOSA-N 481.574 1.226 30 10 JDEE COc1cc(OC)c(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(OC)c1 518658196 KRQQFFCXMSMFHI-UHFFFAOYSA-N 488.566 1.843 30 10 JDEE C#CCN(C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1)[C@@H]1CCS(=O)(=O)C1 729330349 BJEOELFFNPMQHM-GOSISDBHSA-N 468.597 1.522 30 10 JDEE C#CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)[C@H]1CCS(=O)(=O)C1 729330990 KVEMCXWBCJMXLY-SFHVURJKSA-N 490.559 1.521 30 10 JDEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)cc1OC 1084220898 NFODFEYZYAVCAP-UHFFFAOYSA-N 459.536 1.963 30 10 JDEE C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 1170094593 JXCNMAYQLFOZQU-HXUWFJFHSA-N 455.559 1.943 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1286314608 QXGRHRXIXBOCMP-FQEVSTJZSA-N 486.642 1.892 30 10 JDEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1286383690 NBLBEICNWYOSPY-MSOLQXFVSA-N 495.399 1.750 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC(OC(C)(C)C)C1 1286409624 OBMNLYCTGONUCK-MHJFOBGBSA-N 477.631 1.668 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1286510077 ZZNRSOLWGKEENO-QKLQHJQFSA-N 454.618 1.321 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1286510867 CJFOYVWMJLYZKA-QFIPXVFZSA-N 474.656 1.937 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286609258 YVTXILGIMHVIOH-IRXDYDNUSA-N 460.622 1.176 30 10 JDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1286611519 KLXFAVIPKICUFX-UHFFFAOYSA-N 458.523 1.939 30 10 JDEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCS(=O)(=O)C1 1286766738 WZMWUCVPDMNHFC-INIZCTEOSA-N 468.601 1.422 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccc2)CC1 1286821939 AQHOHEWHUDSYDO-QGZVFWFLSA-N 478.644 1.770 30 10 JDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(C(=O)c2ccsc2)CC1 1286823800 RFWUBBOBFKCYSV-UHFFFAOYSA-N 453.590 1.439 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccccc4)n3CCS(C)(=O)=O)CC2)c1C#N 1290576128 AOIXNAGILQPHQT-UHFFFAOYSA-N 454.560 1.230 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2nsnc2c1 1300308426 OUFVZOLSZFVJLQ-DYVFJYSZSA-N 461.573 1.122 30 10 JDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1300428890 SAVLBZJCIMSKRX-MRXNPFEDSA-N 450.590 1.819 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1300482879 HTJOYUGWAAUQGD-RCCFBDPRSA-N 456.634 1.915 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1300485079 WOJCEQROJJHKIU-UYAOXDASSA-N 457.600 1.922 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(NC(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1300496663 SYRRHKMRCCATEN-QUCCMNQESA-N 486.598 1.551 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1300501916 OLJITTWJJNOYNX-GOSISDBHSA-N 472.596 1.712 30 10 JDEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCN(C(C)=O)CC1 1300641215 DXRVYKJJKDKOME-HSZRJFAPSA-N 471.537 1.472 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(COC)c1 1300671784 PGJYBBSZSUQSKT-KRWDZBQOSA-N 450.536 1.600 30 10 JDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1300743475 QZTIVMHZWAZBDU-KRWDZBQOSA-N 469.527 1.692 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1300801159 HVPAEQFFDYHOQF-JXXFODFXSA-N 454.497 1.875 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)OC(C)(C)C)C1 1301556030 FDJBKVJMXOITAZ-HZPDHXFCSA-N 455.581 1.486 30 10 JDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCn2cc(Br)cn2)C1 1302978183 HEEQOTVGEIXJSS-MLGOLLRUSA-N 472.344 1.281 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(N2CCCC2)nc1 1303835653 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C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC(=O)NCC(F)(F)F)c1 1358903308 RZGYHZZHLJBTTL-UHFFFAOYSA-N 491.474 1.135 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(OC)c(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1358960738 KVHGKROQTXCCLW-GOSISDBHSA-N 499.593 1.984 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1(N(C)C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1358964832 IDRKVYKONARQKE-FQEVSTJZSA-N 489.617 1.746 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCN(CCN(C)C)CC1 1358974085 QNRDOMKBGMVGFF-UHFFFAOYSA-N 472.601 1.267 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(S(C)(=O)=O)CCCC1 1358984232 NFWXSEAAHLOYFY-UHFFFAOYSA-N 454.556 1.746 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@]2(CCOC2)C1 1359050802 CTPRNLWDRXTOEC-OAQYLSRUSA-N 462.597 1.711 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1359090483 BVMTUAMDPRVLRX-ANULTFPQSA-N 496.678 1.418 30 10 JDEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1359181093 FEMKVXFMWQPLAG-QFIPXVFZSA-N 457.556 1.681 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccnc(C)n2)CC1 1359216610 ZAKNDYDNKFHEHH-SFHVURJKSA-N 476.607 1.002 30 10 JDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1359287416 BUACZIPXCJIZQF-NVXWUHKLSA-N 457.622 1.197 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(O)cc2)CC1 1359327221 VVRBSPVYFLRGPB-UHFFFAOYSA-N 497.581 1.558 30 10 JDEE CN(C[C@@H]1CCCCO1)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1503542928 HKRABAWSNHPWNZ-IBGZPJMESA-N 459.572 1.762 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCC[C@@H](C)C2)CCO1 1503770942 GZOLKJRROAETOG-LQWHRVPQSA-N 451.575 1.888 30 10 JDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1507631971 WBQHNVPUKIWTKW-WEZXKFLESA-N 486.623 1.526 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccc(F)cc1 1507709989 ASPLKIQFKWQAJQ-FXAWDEMLSA-N 479.578 1.640 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1507716407 QNTKRZNJHHFXNA-PMACEKPBSA-N 459.639 1.451 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1507734066 GOOITKLKDJNJFP-NSYGIPOTSA-N 483.569 1.468 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2ccc(C)cc2)CC1 1507740339 MBMIYGQHILJRCU-UHFFFAOYSA-N 491.596 1.105 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1507789664 HJEPNHVFOBZVJJ-CYBMUJFWSA-N 452.313 1.578 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1507955249 WYDRBTDMEAEYGU-QGZVFWFLSA-N 450.609 1.873 30 10 JDEE C=CCCOCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1507962737 WUMOOYCNTRKQBG-UHFFFAOYSA-N 465.558 1.936 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(=O)NC)C2)cc1 1508096163 CKEIEWBBSSXEIC-AEFFLSMTSA-N 476.603 1.464 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1508144552 UUKOWBXKARVWRN-QHCPKHFHSA-N 489.598 1.704 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(F)(F)F)C1 1508162281 PXQZHSVMIQPFNC-KBPBESRZSA-N 485.554 1.298 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(N2CCCC2=O)c1 1510188529 CXEYWMCDJBVNHM-VFNWGFHPSA-N 475.550 1.505 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCC[C@H]2C)c1 1539043182 OACISAUGCUCDPH-QUCCMNQESA-N 484.626 1.721 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1539238739 BOOKVHKDDNGCSA-UNMCSNQZSA-N 484.626 1.343 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2C[C@@]2(O)CCO[C@H]2C)n1 1539424539 SIKGPZUSQQZXHQ-CYFREDJKSA-N 450.543 1.968 30 10 JDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1539985090 DQRZJCAIOAQTGJ-PKOBYXMFSA-N 458.588 1.876 30 10 JDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1540064422 SDNPKSAKQSEABI-HNNXBMFYSA-N 467.621 1.142 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(Cn2ccnn2)CC1 1540905564 XJIKLVOSSUSCEN-UHFFFAOYSA-N 456.576 1.373 30 10 JDEE CC(=O)Nc1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)c1 1541018978 DFCYGDWZGKIUDL-FQEVSTJZSA-N 487.586 1.358 30 10 JDEE C#CCN1CCC(NC(=O)CN2CCN(Cc3ccc(Br)cc3F)CC2)CC1 1558422806 JLTGVZAOIQUYLW-UHFFFAOYSA-N 451.384 1.920 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](OCC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588024815 MPZNCHSSOBYQCZ-SFTDATJTSA-N 485.610 1.919 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCS(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588046141 YEMAJZJTFFKTEP-OAHLLOKOSA-N 486.019 1.117 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1588065020 RGMHGSUAINHYOV-HXUWFJFHSA-N 475.640 1.816 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)cc2OC)CC1 1588811310 FZPILAGKNLIBQQ-KRWDZBQOSA-N 463.991 1.646 30 10 JDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCNC(=O)c2cccc(OC)c2)CC1 1588848670 KLKZIHQQEPTLPR-UHFFFAOYSA-N 459.554 1.458 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCNS(=O)(=O)CC)CC1 1588907370 AVSWYWFVUVGBOB-UHFFFAOYSA-N 496.996 1.643 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCc2cccs2)CC1 1595465898 BBXRRZIQPSAKMB-UHFFFAOYSA-N 457.604 1.243 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOCC)CC1 1595601997 CUELJIRZNFYDRJ-IBGZPJMESA-N 491.637 1.811 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NC2CCCCC2)C1 1595720664 AIIGJGBPWOZCFK-WMZOPIPTSA-N 451.593 1.410 30 10 JDEE CC(C)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1598165583 DOPOSIJPNJLZOU-UHFFFAOYSA-N 462.562 1.834 30 10 JDEE C#CCn1ccc(CN(CC)C(=O)[C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)n1 1618758059 AMIFYCHDXVFHKW-RBBKRZOGSA-N 458.584 1.812 30 10 JDEE N#Cc1ccc(N2C[C@H](C(=O)NCc3cc(S(N)(=O)=O)ccc3F)CC2=O)cc1Cl 1628487196 BMTLYARLRXPKMD-CYBMUJFWSA-N 450.879 1.667 30 10 JDEE C#CCN(C(=O)NCCc1cn2cc(Br)cc(C)c2n1)[C@@H]1CCS(=O)(=O)C1 1679980553 OTMGWZGHULHMOH-MRXNPFEDSA-N 453.362 1.780 30 10 JDEE CNS(=O)(=O)c1ccc([C@H](C)NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1682910822 FZVFPGOUCKAJIT-YWZLYKJASA-N 455.540 1.628 30 10 JDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1689886595 AJXQOVOXWGENIE-MRXNPFEDSA-N 454.556 1.619 30 10 JDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1689901052 ADDCJRCPFDHYKU-SZPZYZBQSA-N 483.661 1.831 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1689979681 GAGPRHHLLJJPFA-YOEHRIQHSA-N 486.019 1.217 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1689982809 VDTUESJRCURBKL-GBXCKJPGSA-N 488.610 1.808 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1689984439 PIVXDFLDTAGISX-IXDOHACOSA-N 465.963 1.160 30 10 JDEE C#CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1689989513 GFNKRZUUFHPIFA-KURKYZTESA-N 497.618 1.248 30 10 JDEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1 1690171041 VAOWKUSMKOGWOI-OAHLLOKOSA-N 451.556 1.353 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCS(=O)(=O)Cc1ccccc1 1690190459 VNQQGEDGSHFFBQ-PGRDOPGGSA-N 493.655 1.886 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1690245530 JPOFOYKPYCZVMI-JQVVWYNYSA-N 473.622 1.201 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1690661868 JQCIFEUBNZCKSI-UHFFFAOYSA-N 476.585 1.314 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC(C)(C)[C@@H]1C 1690672218 LQGLYCZZRDANTK-IRXDYDNUSA-N 478.594 1.892 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1690674271 VJCSJFVIHPYBLA-UHFFFAOYSA-N 495.609 1.385 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)N1CCOCC1 1705491055 WZRKAUXNZNFENJ-SFHVURJKSA-N 477.569 1.772 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1705495520 RFBSOKJXVXJIMS-APWZRJJASA-N 453.572 1.884 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCCN1CCCC)[C@H]1CCS(=O)(=O)C1 1705559244 VQHZLIIVFSWVMA-RTWAWAEBSA-N 490.674 1.795 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1c(C)cccc1C 1705583361 WRHNUHYHBZLDKV-HXUWFJFHSA-N 471.583 1.380 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2Cc3ccccc3O2)CC1 1705643990 FBGOLYOJKNVOOH-LJQANCHMSA-N 450.543 1.386 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](OC)C(C)C)CC1 1705645972 LRUJUGJDTIJURM-OAQYLSRUSA-N 477.573 1.558 30 10 JDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705659355 SSSXWKFVYXHTGE-UHFFFAOYSA-N 473.603 1.019 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCCS(C)(=O)=O 1705693926 MEHICCSEBFCFDQ-FUHWJXTLSA-N 462.576 1.778 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCc2nn(C)c(=O)cc2C1 1705897768 TVULPNLJORUCRF-HNNXBMFYSA-N 467.505 1.516 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)C[C@H]1C 1705903077 PKJHLAYEVUPTBB-SJORKVTESA-N 475.594 1.362 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCc2cccc(F)c2)C1 1712706111 HSYXXMMSKQKUCB-PXNSSMCTSA-N 466.514 1.435 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(F)cn2)c1 1722305189 NAVVJIIJENZXGN-HNNXBMFYSA-N 485.545 1.527 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722358405 BFSBHZIBKUCVTN-LJQANCHMSA-N 473.599 1.743 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1722364288 KOFWJNOKNVOIIZ-AEFFLSMTSA-N 489.989 1.990 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1722364514 LICUJIKDAVNMIO-JKSUJKDBSA-N 450.536 1.955 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2C[C@@H](COC)OC)CC1 1722437838 JHDIMUZAZKMQMM-IBGZPJMESA-N 479.585 1.482 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1722442542 UZOYAWOTFBBZCZ-QGZVFWFLSA-N 463.991 1.700 30 10 JDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1722456229 VHVWMWDJBQJGAQ-NRFANRHFSA-N 463.611 1.999 30 10 JDEE C=C(Cl)Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1722558489 PMZKJZQMHGLJEA-QRWLVFNGSA-N 452.943 1.544 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1722693560 SIVJVTMKHHDOSO-UHFFFAOYSA-N 468.558 1.713 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1722695242 XQFAAOPOBFSFJB-UHFFFAOYSA-N 488.552 1.858 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1722703181 WXKACLIPAZWBTD-SFHVURJKSA-N 487.630 1.120 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1722730644 YFPWFYKPYXCGII-UHFFFAOYSA-N 463.629 1.980 30 10 JDEE CC(C)C(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1723054311 FAJHFWFAEGADJO-FQEVSTJZSA-N 499.641 1.793 30 10 JDEE CCCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1727883417 BRAKIQRGCLEPNK-GOSISDBHSA-N 453.547 1.702 30 10 JDEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](COC)C2)CC1 1728602023 AFJWARRRSGSWPZ-KNQAVFIVSA-N 453.591 1.694 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCn2cc(C)nc21 1740548573 BDRHKUODNLVYCX-KSZLIROESA-N 461.592 1.151 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCC=C)c1 1740563431 YTFFDYWKKMKTPS-UHFFFAOYSA-N 472.509 1.284 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCCN2CCC[C@H]2C(=O)N(C)C)c1 1740564363 KRKSQBDRHPIHDM-NRFANRHFSA-N 465.602 1.839 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1740671854 QAVYVUDBLQHUTL-XQBPLPMBSA-N 466.652 1.581 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)N(C)C)c1 1740685140 BKAKTDRUKMZMFQ-FQEVSTJZSA-N 473.599 1.211 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2COCCC)CC1 1740695706 BNJLNUSMFAWRBT-JOCHJYFZSA-N 471.627 1.910 30 10 JDEE C=C(Cl)Cn1c(N2CCN(c3ccc(C(N)=O)cn3)CC2)nnc1[C@@]1(OCC)CCOC1 1740816324 CEKWEMXLVHWXFA-OAQYLSRUSA-N 461.954 1.503 30 10 JDEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1740884654 IDJOSWMSVDUTEB-UHFFFAOYSA-N 467.530 1.482 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1740953929 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1.743 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCN(c2ccncc2)CC1 1300267606 HZWHTHJZMHZLHB-FQEVSTJZSA-N 450.591 1.579 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(CS(C)(=O)=O)cc1 1300308438 OXAISIUZFMFHCQ-YJBOKZPZSA-N 450.586 1.231 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCCN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1300497426 BGDORWXVKPHFAN-HXUWFJFHSA-N 450.653 1.131 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1300498020 FZYOPNUEEJUEOK-DLBZAZTESA-N 461.554 1.988 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCN2CCCS2(=O)=O)CC1 1300726148 ICQDLOLDOSOCQC-UHFFFAOYSA-N 488.589 1.009 30 10 JDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1301508621 OKADSCOKKFWXBH-KNQAVFIVSA-N 471.650 1.692 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1301589772 WVLYTRMVMMJVHT-DLBZAZTESA-N 453.609 1.514 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccnc1OCC(F)(F)F 1303410965 CMCMYADCCKYWTQ-AWEZNQCLSA-N 453.425 1.529 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1315066621 DKGIFEMVMUWQHD-SFHVURJKSA-N 489.602 1.812 30 10 JDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)N1CCN(CC)CC1 1358949204 VRMKDHCFYIPXPW-HXUWFJFHSA-N 451.623 1.548 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358962485 QPRQPPFSQXCGNH-ZDUSSCGKSA-N 473.477 1.975 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc(C(C)(C)C)cs1 1358979650 SWXWAWPZJGBMNS-QGZVFWFLSA-N 490.655 1.681 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(C)OCCc3sccc32)CC1 1359029090 OKJJGDFQJOZQRM-IIBYNOLFSA-N 478.644 1.193 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1359031398 AEZJAGHNSJHGDF-QFIPXVFZSA-N 465.646 1.983 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[C@@H]2COCCO2)CC1 1359042823 VLXYPTLBKMAPJL-OAQYLSRUSA-N 453.543 1.725 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)N(C)C 1359069829 ZMEXMBGXDAPTRI-OAQYLSRUSA-N 455.544 1.477 30 10 JDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N(CCO)CCOCC(F)(F)F 1359082592 NIGXTAOQRWYXCO-LLVKDONJSA-N 456.263 1.515 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359304565 BGSIXEFKPDNHAM-UHFFFAOYSA-N 486.548 1.374 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2nc(C)c(C)s2)C1 1359314188 XHCXYADMHXKCEH-GDBMZVCRSA-N 454.622 1.986 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1359342788 FIEYJWJVNBULNI-MRXNPFEDSA-N 454.622 1.660 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1507635492 SOQTUGRYGMCBPQ-SFHVURJKSA-N 471.612 1.683 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCC[C@]2(CCOC2)O1)[C@H]1CCS(=O)(=O)C1 1507639530 ZGLAHERDKMVWND-BBTUJRGHSA-N 452.577 1.170 30 10 JDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1507641644 IMFHKLFGYXRVRB-HSZRJFAPSA-N 471.583 1.348 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1507710129 KAAWOUDTLRPAQE-BXKMTCNYSA-N 466.542 1.301 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@]2(O)CCOC2)CC1 1507735502 XCFGMJJEELUGEV-SANMLTNESA-N 497.596 1.860 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1507778625 FQIUKWFEHDUKGH-MJBXVCDLSA-N 464.386 1.181 30 10 JDEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(N)=O)C1 1507789646 GWTBDKBTPBUBAS-GFCCVEGCSA-N 453.366 1.880 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](OC)[C@H](OC)C1 1507916486 RIHDFKGFLUDXOQ-BBWFWOEESA-N 457.597 1.063 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1508024066 IFHCXIQLPBXENZ-HXUWFJFHSA-N 460.600 1.957 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC2CC2)CC1 1508092626 RPPUVZQYJREGEF-LJQANCHMSA-N 489.621 1.421 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC(F)F)cc1 1508093383 UWQDRNTYZLFGJI-OAHLLOKOSA-N 469.514 1.720 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](N1CCOCC1)C(F)(F)F 1508405251 DLUCQYVMTJCPDP-GJZGRUSLSA-N 466.468 1.784 30 10 JDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1517429769 DHZXDDMRMODMNN-LJQANCHMSA-N 451.575 1.747 30 10 JDEE C#CCN(c1nnc(-c2cccc3cccnc23)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1539211706 NOQSXCYJHOYSCH-MOPGFXCFSA-N 469.567 1.781 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(CN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1539220446 JKJLEBMKEJDTFS-FGZHOGPDSA-N 471.627 1.909 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(CCC(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1539222721 XENLUCLYDDUNRA-LEWJYISDSA-N 490.674 1.614 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCN2c2cc(NC)ncn2)CC1 1539427634 FQGXFJGDGAQJEM-FQEVSTJZSA-N 494.648 1.452 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccnc(SCC)c2)CC1 1539431975 WXLXVKXZVWADAO-INIZCTEOSA-N 463.633 1.199 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CC[C@H](CO)O2)CC1 1539475689 MLMMRYUYDUCICY-RBUKOAKNSA-N 453.543 1.459 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1540866740 YSRZNWBXRWHQOC-WBVHZDCISA-N 475.981 1.663 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 1540909654 MMWRMBKHWZWITO-INIZCTEOSA-N 471.653 1.145 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)Cc1ccc(F)cc1 1541115921 HBAQUELYDXHYCE-PXNSSMCTSA-N 493.609 1.478 30 10 JDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@H](C)[C@@H]1C 1552408906 HOJCIFGGHMRCJW-JKSUJKDBSA-N 464.617 1.998 30 10 JDEE CN(Cc1ccco1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1554181532 FFGIPKLBKIUEPK-NRFANRHFSA-N 457.512 1.508 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2CCS(=O)(=O)N2CCSCC2)C1 1555984853 CUEJRAIXESXJNE-YJBOKZPZSA-N 458.585 1.340 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2Cc3c(F)cc(C)cc3N2C(=O)OC(C)(C)C)CC1 1556504215 OSKCFKUNZHBUKE-HXUWFJFHSA-N 458.534 1.694 30 10 JDEE CCCCN1C(=O)C[C@@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)[C@@H]1c1ccc(OC)cc1 1557599544 BRCBNRWXPXULLP-QUCCMNQESA-N 453.499 1.335 30 10 JDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)s3)CC2)c(OC)c1OC 1561332175 AHXYQLCMMBGAEZ-UHFFFAOYSA-N 451.526 1.792 30 10 JDEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588035428 UEYTXAOFCZJQLP-HXUWFJFHSA-N 469.611 1.853 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1589047692 FTGQUOUJKKFTBZ-HXUWFJFHSA-N 464.599 1.394 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1594013356 GEGOGJSAZHCEBA-MRXNPFEDSA-N 482.632 1.343 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(C)COCCO1 1595084840 MZKZOGYIMZKCBS-VGSWGCGISA-N 474.587 1.758 30 10 JDEE C=CCNC(=O)Cn1c(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1595601931 ASUJAHQPQXWSDL-NMMYMHLASA-N 450.543 1.976 30 10 JDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1595878721 QWXQKNWNYSNODL-LJQANCHMSA-N 464.636 1.072 30 10 JDEE CCN(C)C(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C#N)C1 1615100230 GQHKTYFPTPTMRK-DLBZAZTESA-N 461.567 1.600 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)C[C@H]1C 1619951328 DDPNUCFJLLYJDH-OAQYLSRUSA-N 497.644 1.996 30 10 JDEE N#Cc1ccc(N2CC[C@H](S(=O)(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)C2=O)cc1 1643978069 BVJLKPFMDWBBNW-FQEVSTJZSA-N 459.549 1.922 30 10 JDEE C=C(C)[C@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1ccc(F)c(F)c1 1671851005 AANIXSWDLCHXDT-IBGZPJMESA-N 457.547 1.401 30 10 JDEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCCN1c1cc(NC)ncn1)[C@@H]1CCS(=O)(=O)C1 1689979373 ACCNNDRURWSZIZ-QZTJIDSGSA-N 472.619 1.529 30 10 JDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690167346 HBLPMAYFMZTIJE-KRWDZBQOSA-N 454.556 1.793 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N2CCSCC2)CCCCC1 1690528073 WRNCLMMEIWCTAR-LJQANCHMSA-N 498.719 1.985 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1690659381 QVYHAIUJNUZZCN-UHFFFAOYSA-N 471.537 1.256 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1690675283 VDTVRPYTQDCAHN-UHFFFAOYSA-N 467.574 1.540 30 10 JDEE CC(C)[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1691555430 HARNLELVLSOAPB-JPYJTQIMSA-N 455.538 1.974 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccco1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705559262 WBSGKNLOVCJDQX-MOPGFXCFSA-N 488.614 1.473 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(F)cc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1705567151 VDBPMRROHBFJPG-ABAIWWIYSA-N 485.463 1.461 30 10 JDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1705584889 BYAWGGBSDQFGKL-LJQANCHMSA-N 463.508 1.866 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cc(F)cc(F)c2)CC1 1705647741 JJFAXAATDFTVTG-SFHVURJKSA-N 491.564 1.667 30 10 JDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](CN2CCOCC2)C1 1705679052 ACKLMSXDURGFNP-MRXNPFEDSA-N 453.385 1.581 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1705902552 GXESGPVTJDSENT-FQEVSTJZSA-N 488.614 1.474 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(O)CCN(C)C2)C1 1705914659 DEFHRQAEQHUPNU-XXBNENTESA-N 474.993 1.709 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2CCOCC2)C1 1705925198 MHBMDDOHXFUEDB-ZWKOTPCHSA-N 453.609 1.072 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCNC(=O)C(C)(C)C 1706619455 DANKTPSPIAELGS-UHFFFAOYSA-N 484.580 1.916 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H](C)N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1722361993 LPYRQHFDSKDZTB-FCHUYYIVSA-N 484.670 1.906 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C(CC)CC)N1CCOCC1 1722397564 RUBKXSPVJFAWDE-YADHBBJMSA-N 475.659 1.780 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1722412812 FGJYFKYWWWADMP-AZUAARDMSA-N 471.583 1.806 30 10 JDEE C#CCN(CC)c1nnc(Cc2ccccc2OC)n1CCS(=O)(=O)N1CCSCC1 1722413854 LDXNNBYWBQUKEF-UHFFFAOYSA-N 463.629 1.716 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(Cl)c1 1722413912 SKHNRJCHBQSNHV-SFHVURJKSA-N 467.979 1.803 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCCCO2)CC1 1722436789 FVDLTPJTAFKYER-PMACEKPBSA-N 474.606 1.911 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2oc(CC)nc2C)CC1 1722447741 OJCLYDUEQVBRGX-KRWDZBQOSA-N 474.587 1.053 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722510046 RLGPEZLHAARIAO-PZJWPPBQSA-N 458.607 1.729 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCN(C)C1 1722673257 MOKAHWOWEFEQIK-NFBKMPQASA-N 459.616 1.482 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)N3CCCCC3)CC2)nnc1C(C)(C)C 1722731048 BXQXIGRCQYBVSO-UHFFFAOYSA-N 452.625 1.904 30 10 JDEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1722733346 WMXHBSAPCIZXSK-FQEVSTJZSA-N 461.588 1.830 30 10 JDEE Cn1ncc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)n1 1729603310 FPLYIYNYOSIUTR-UHFFFAOYSA-N 469.575 1.096 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1740615510 GARANMYAJCOOMN-RBUKOAKNSA-N 485.614 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CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H](O)C1 2284047846 KKIUETWZZABOCX-NYHFZMIOSA-N 463.340 1.052 30 10 JDEE COc1ccc(C=CC(=O)[C@H]2C[C@@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)cc1OC 2328071873 DHKZUUMLSDQNHF-FXAWDEMLSA-N 477.517 1.819 30 10 JDEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NCc2ccco2)ccc1O 2330748414 MEOVRQLHIYDRCU-UHFFFAOYSA-N 458.500 1.512 30 10 JDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3cc(OC)cc(OC)c3)n[nH]2)cn1 59886813 WBYDCUONWJCDRV-AWQFTUOYSA-N 460.520 1.842 30 10 JDEE COc1cc(C=NNc2nnc(SCCC(=O)NCc3ccco3)n2N)cc(OC)c1OC 1084549913 YFJZPFRMMKPNEQ-UHFFFAOYSA-N 475.531 1.855 30 10 JDEE CCN(CC)c1ccc(C=NNc2nnc(SCC(=O)NCc3ccco3)n2N)c(O)c1 1084612515 KUYKDFMLNDFKGQ-UHFFFAOYSA-N 458.548 1.991 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nc(C(C)C)ncc2OCc2ccccc2)CC1 1152973403 INRQZOVPVDRMOK-UHFFFAOYSA-N 457.556 1.404 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1286381863 HQVHFUIQPVHOAG-PXNSSMCTSA-N 476.555 1.004 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1COCCC)[C@@H]1CCS(=O)(=O)C1 1286389929 SZUQDXUREPGTRW-NHCUHLMSSA-N 485.610 1.831 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@](C)(CC)O1 1286431784 RLTIOENPDQEJJR-IPJJNNNSSA-N 463.604 1.422 30 10 JDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccc(C(N)=O)nc1 1286432823 ZCIYSPWGLFMPFL-UHFFFAOYSA-N 496.619 1.648 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCN(C(C)=O)CC1 1286461277 QHWBBLIZEWQRGW-UHFFFAOYSA-N 481.601 1.397 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1286546192 HDBLBOIUGXLJPR-AITUJVMLSA-N 468.624 1.174 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1286700558 OLXMOVRYXWKUKC-NYUBLWNDSA-N 469.608 1.350 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1286782303 QGWVEQZHIXPECL-FQEVSTJZSA-N 453.591 1.472 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1286787080 BPAYPDOCNZLQTB-QGZVFWFLSA-N 489.598 1.539 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)c2ccco2)C1 1288976757 DJAJYCVLPDFIKK-ZLGUVYLKSA-N 478.575 1.242 30 10 JDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1298948065 GDGOOJIPBXXJSA-NRFANRHFSA-N 481.601 1.802 30 10 JDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1298948066 GDGOOJIPBXXJSA-OAQYLSRUSA-N 481.601 1.802 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[C@H]2OC)c1 1300331855 SDHZYWDITVEXPO-XKGZKEIXSA-N 488.614 1.760 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1300483933 PNTLVIKSMHITMA-ROUUACIJSA-N 463.516 1.141 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1300488808 WJVGLTMGJKLUPZ-HZPDHXFCSA-N 470.521 1.784 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc([C@@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1300500735 CPKSHMAOHMHNQC-XMSQKQJNSA-N 465.579 1.992 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)Oc1ccccc1F 1300538458 QPMVQWDWUQPMEL-RXVVDRJESA-N 489.573 1.681 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccc(Cl)cn2)CC1 1300723098 PXSDIRFQWUWTQP-QGZVFWFLSA-N 471.949 1.322 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1300756402 LLIKPJMDHDJHRL-FQEVSTJZSA-N 482.610 1.843 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1300874486 MTISADUQENSUFO-LTMIRXACSA-N 457.579 1.883 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)NC)CC1 1300877078 WBOKNOXWGSGNPH-SJLPKXTDSA-N 454.535 1.368 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1301023126 CCMVLHDBAHHJNG-UHFFFAOYSA-N 475.962 1.688 30 10 JDEE C=C(Cl)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1301045530 XWVXKLMEXXHPDZ-UHFFFAOYSA-N 472.977 1.437 30 10 JDEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1301232401 YQQMRZNXLFTIIK-UHFFFAOYSA-N 463.542 1.622 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(F)c1)C1CC1 1301326997 KMYJQJPYUFOUKU-LJQANCHMSA-N 465.551 1.984 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1301491085 DGKWZLDUJURDGA-FQEVSTJZSA-N 485.608 1.618 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1301514198 GKPIOFCGKGISOS-UHFFFAOYSA-N 476.603 1.328 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 1301554926 PRSDAUIRLOEMKD-OALUTQOASA-N 459.572 1.603 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1301577281 MNNBEFAMEMEEOA-UHFFFAOYSA-N 481.022 1.410 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1301584486 BFSNLGFOOOQXTR-QGZVFWFLSA-N 474.587 1.522 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1301596356 MILDAUJVSSHZIU-UHFFFAOYSA-N 486.646 1.813 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1303410972 CPABUVXALXTRPY-NQIIRXRSSA-N 467.574 1.414 30 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493.593 1.910 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCN2CCC[C@H]2CO)CC1 1359165903 ZJMBJZGNOYDEDB-PMACEKPBSA-N 482.651 1.004 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1359302473 INXWCLLOHRKXCE-KRWDZBQOSA-N 483.602 1.334 30 10 JDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1359303736 ZECXFVGNQWLWRU-UHFFFAOYSA-N 451.579 1.553 30 10 JDEE C=CCNC(=O)Cn1c(N(C)Cc2nc(O)c3sccc3n2)nnc1[C@@]1(OC(C)C)CCOC1 1359305647 JKVLPLRCFRHZAN-JOCHJYFZSA-N 487.586 1.968 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1359327672 HTSDTNFBTZCQTR-UHFFFAOYSA-N 498.609 1.698 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)C1 1359357294 CKRAAVSAKBAMJM-JTHBVZDNSA-N 465.602 1.968 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)c1 1445152603 GCNBSHAANRUJLZ-UHFFFAOYSA-N 453.564 1.809 30 10 JDEE C#CCOCCN(C)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1472438812 YGXLODJRUGCMML-UHFFFAOYSA-N 450.298 1.263 30 10 JDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1503364490 GUSOVMYKCRPVNV-LJQANCHMSA-N 450.547 1.725 30 10 JDEE CN(C)[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1)C1CC1 1503378516 BWROSSPGXZOKGM-UGKGYDQZSA-N 475.594 1.978 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@]2(C)CN(C)C2=O)CC1 1507740876 QGSHAGCLKPJUCG-SANMLTNESA-N 462.598 1.898 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)NCCOC)CC1 1507797105 KLVKRDVYADDQIM-KNQAVFIVSA-N 462.639 1.733 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(O)(c2ccccc2)CC1 1508073390 WXKNOBHJXCJFDE-UHFFFAOYSA-N 461.526 1.716 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1508074011 LYEITWDGTFEIOJ-OAHLLOKOSA-N 480.566 1.377 30 10 JDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1508076530 URXDEULJWKXQPK-UHFFFAOYSA-N 450.547 1.675 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](OCCOC)C1 1508087595 CTEZZFFXXJWYID-OALUTQOASA-N 492.621 1.937 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)CC1 1508106205 SRUYTPKCCOKZCO-OAHLLOKOSA-N 453.590 1.070 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1508145148 JNLLHMQUIBPFQP-GOSISDBHSA-N 463.585 1.289 30 10 JDEE C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@](F)(C#N)C2)n1CCS(=O)(=O)N(C)C 1510271425 DXUNYMFWNGSNEU-KUHUBIRLSA-N 454.503 1.891 30 10 JDEE CCN(CCCn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1C(C)(C)C)S(C)(=O)=O 1515710685 ASMRPTGKTAOURH-KRWDZBQOSA-N 489.650 1.624 30 10 JDEE CNC(=O)CCn1c(Cc2ccccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1517596614 GMDXIZWSNFLTDI-UHFFFAOYSA-N 458.570 1.984 30 10 JDEE COc1ccc(C[C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1518186892 ASFYZULVPCTDRD-UHOSZYNNSA-N 489.598 1.805 30 10 JDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1519224684 AZCKCEVVXDOHLH-HXUWFJFHSA-N 493.534 1.848 30 10 JDEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1539210331 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C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1540855872 CPGHYBXQVYDPAW-UHFFFAOYSA-N 487.586 1.701 30 10 JDEE C=CCn1c(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540861010 YBKODERIUGMEPE-WIYYLYMNSA-N 469.608 1.136 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCC(F)F 1587567163 CKAILHNBLWPQQY-GFCCVEGCSA-N 453.519 1.386 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1588039767 FAAKOOURMOICBP-KRWDZBQOSA-N 471.539 1.934 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN1CCOC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1588059732 TYHINNLLJDPZCB-FQEVSTJZSA-N 489.617 1.746 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1588065414 YGQLTTMICPTWTL-SFTDATJTSA-N 456.616 1.765 30 10 JDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCN(CC)CC2)CC1 1588836050 DANCOGXWAUYJJT-UHFFFAOYSA-N 471.600 1.930 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(C(=O)NCC)CCC2)CC1 1588962316 ZFSKLVWSBDXUFU-UHFFFAOYSA-N 480.617 1.412 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1589543916 CTASRDXOLXEBHF-UFYCRDLUSA-N 478.619 1.722 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1589547587 VDUSCHALKFKGCU-FPCVCCKLSA-N 464.510 1.929 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C)C(=O)[C@@H]1C 1595500699 CAXWBJNYLXNRFW-NSHDSACASA-N 453.366 1.738 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1595516232 BURXMVWCGCVMGN-MRXNPFEDSA-N 461.544 1.032 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1595517204 SRUNXEIGGJBBIS-GOSISDBHSA-N 468.558 1.760 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1595688706 MYTOJZJUQHGSSG-HTAPYJJXSA-N 478.571 1.293 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(COC)CC1 1595798656 RYGAEGMAPFXLCI-INIZCTEOSA-N 460.622 1.034 30 10 JDEE Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)nc1 1596577905 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SVOCZXVMIRZYFN-CQSZACIVSA-N 453.594 1.228 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690660416 GYFZYTPRZWMNRO-ROUUACIJSA-N 461.588 1.960 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690662343 ZQYCNODNYWHGKD-ZBFHGGJFSA-N 475.347 1.945 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1690669350 BDVIOCJEFZWILP-KRWDZBQOSA-N 458.950 1.673 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(S(=O)(=O)NC)c1 1705490301 HQDIJCYIAYDXID-CQSZACIVSA-N 456.528 1.420 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705564518 BKTQSMRWDLKWJT-CEXWTWQISA-N 460.604 1.399 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSc1ccccc1)[C@H]1CCS(=O)(=O)C1 1705566487 NTCPACBZWIBBOU-MSOLQXFVSA-N 494.664 1.599 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1705570555 OLBPZHNCIFCETF-WIYYLYMNSA-N 464.588 1.503 30 10 JDEE C#CCN(c1nnc(CC)n1Cc1cccc(CS(C)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 1705571287 XTJKLKBZNMNVCK-GOSISDBHSA-N 450.586 1.060 30 10 JDEE C#CCN(c1nnc(CSc2ccccc2OC)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1705571924 LKDJPBZDJWFNGE-MRXNPFEDSA-N 464.613 1.977 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)OC(C)(C)C 1705593692 UHSBANHKWCNGBK-UHFFFAOYSA-N 461.530 1.908 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ncnn2C(C)(C)C)CC1 1705647504 FUGYJVACRJSFND-SFHVURJKSA-N 454.579 1.533 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)C1CC1 1705674785 QYPZUGOBZRPOOF-DJPFJPOOSA-N 450.609 1.086 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)NC)c1 1705875673 BYHSMGXDJLDEON-LJQANCHMSA-N 474.587 1.197 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccnc(C)n2)CC1 1705933370 FDDVUMJVLPBFMS-UHFFFAOYSA-N 457.560 1.872 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)[C@@H](C)C1 1705997930 RSEJLTDOKABKPO-LAUBAEHRSA-N 454.531 1.591 30 10 JDEE CC(C)(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1706096204 CSNQRBAPCKEQIH-UHFFFAOYSA-N 453.547 1.593 30 10 JDEE C[C@@H]1OCC[C@@]1(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1708275574 GAVJJKBDGGIICK-LVXYXVKQSA-N 462.913 1.843 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCS(=O)(=O)C1 1722289266 CASLNGCMGJKATC-KSZLIROESA-N 481.619 1.869 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1722308418 MVGMTKLAGSUXHR-HXUWFJFHSA-N 479.695 1.687 30 10 JDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1722337172 VOYVCGNBWJSMIM-DLBZAZTESA-N 456.551 1.445 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1722358647 JVWHNSXQNUGORC-DLBZAZTESA-N 458.544 1.121 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cnn(-c2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 1722360142 ZGXAMYMMZYWVCY-HXUWFJFHSA-N 481.582 1.277 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1722368435 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C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H](C)N1CCOCC1 1748830944 BABWNZFFBGDZHL-SFHVURJKSA-N 453.543 1.764 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cc(Cl)cn1 1748831246 ICCNNERHULUEGK-UHFFFAOYSA-N 471.974 1.818 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CC1 1748892754 WLPXDZGQLJEOOU-SFHVURJKSA-N 491.614 1.627 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)N1CCOCC1 1748901905 DFQKOBWVIYPLAQ-KDURUIRLSA-N 470.574 1.371 30 10 JDEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1748913870 AEEJBMSMTIEJRF-SFHVURJKSA-N 453.362 1.717 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2nc(C)no2)CC1 1749037458 FBOFXVBYZUMDHA-MRXNPFEDSA-N 450.590 1.622 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1749127096 JPKLRNXZFKRFOO-SCTDSRPQSA-N 459.595 1.841 30 10 JDEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1749318577 BAZKZGGSGHTTQC-NQIIRXRSSA-N 468.558 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C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865729008 KUOHFPKSRPVJAJ-HNNXBMFYSA-N 487.900 1.541 30 10 JDEE C=CCn1cc(OCC(=O)N(C)Cc2ccccc2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870508015 IDYFOYSTVDPRMA-UHFFFAOYSA-N 452.555 1.769 30 10 JDEE COC(=O)c1ccc(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Br)cc1 1873526944 DICHGTVFMYMJEJ-UJHWAJGWSA-N 469.317 1.598 30 10 JDEE CCCOc1c(Br)cc(/C=N/n2c(CNC(C)=O)nnc2SCC(N)=O)cc1OC 1874432679 RHBSEKHNNNVOFU-GZIVZEMBSA-N 499.391 1.934 30 10 JDEE CN1CCN(CC#CCOC2CCN(C(=O)C[C@@H]3CSc4nc5c(c(=O)n43)CCC5)CC2)CC1 1889495510 YVTTXAMQXBMRRQ-LJQANCHMSA-N 485.654 1.027 30 10 JDEE O=C(CCC(=O)N1Cc2ccccc2C#Cc2ccccc21)NCCOCCOCCOCCO 2070300444 ALXJBBJGKMRACK-UHFFFAOYSA-N 480.561 1.872 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2255644636 KOKLOFFIAMXUJZ-OLZOCXBDSA-N 453.370 1.400 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)CO1 2267353594 QYWPNKNQHSGHGF-AWEZNQCLSA-N 472.344 1.954 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CO)CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2267466195 WUJPOVBRNZFKTG-CYBMUJFWSA-N 490.815 1.803 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](NC(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267489100 UXGKOKGAPFFAPJ-MCIONIFRSA-N 465.381 1.806 30 10 JDEE CC(C)(C)OC(=O)NCC1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CC(O)C1 2268705403 CJXBPOXQKZISMX-UHFFFAOYSA-N 467.397 1.724 30 10 JDEE CC(C)(C)OC(=O)N(CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1CCOCC1 2272568678 IMRWTFAKWUDFQQ-UHFFFAOYSA-N 468.385 1.614 30 10 JDEE CN(CCOCCN(C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2282033472 UOJFRDZNHVWTRM-UHFFFAOYSA-N 466.388 1.675 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1 2282115699 VHSZEAZXEJEURY-OAHLLOKOSA-N 463.384 1.907 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)CCOCCNC(=O)OC(C)(C)C 2282589003 KABDEMFNWPVVJK-UHFFFAOYSA-N 466.388 1.816 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1COC[C@@H]1CNC(=O)OC(C)(C)C 2282593757 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JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CC[C@H]2COCCO2)c1 1286309158 OUASHIHKPWCFTK-SQJMNOBHSA-N 483.569 1.792 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(C)COCCO2)c1 1286312619 WWORTQYCAJELNZ-JTJYXVOQSA-N 483.569 1.864 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1286391830 JGUPWRFYEQTELY-IBGZPJMESA-N 458.584 1.831 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1286409443 LSEFZFCOMWPDTG-FPOVZHCZSA-N 481.578 1.419 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCn2ccnc2C)CC1 1286479944 JDQFAQLTUFGBHI-HXUWFJFHSA-N 484.605 1.547 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1286485740 WSPUPIILDZOGDU-SFHVURJKSA-N 482.585 1.858 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1286494473 UKPXLELEMAJCJB-RBUKOAKNSA-N 498.550 1.401 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1286601724 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450.569 1.047 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690660981 SBHNNAWHRMYAPG-IBGZPJMESA-N 499.591 1.604 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1690661041 TVJBNOQPVWNCQT-MOPGFXCFSA-N 481.667 1.139 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1690670589 FMDWNUJGHRJJGB-MSOLQXFVSA-N 461.592 1.137 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCc3sccc3C2)C1 1690686294 LRDPEEFEPWGTLH-WMZOPIPTSA-N 480.660 1.789 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1690723380 PVNHAMURBVQMDE-CVEARBPZSA-N 464.592 1.526 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1690725056 DIFLVBNXWIKGFT-IBGZPJMESA-N 498.613 1.262 30 10 JDEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690748865 JSWNXBGSEMNNKR-UHFFFAOYSA-N 457.604 1.356 30 10 JDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C(N)=O)CCCC2)cc1C 1693119595 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JZBLOMPQAZHDPZ-UHFFFAOYSA-N 467.599 1.502 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1705635904 PSDSATPFPQIORJ-NRFANRHFSA-N 457.376 1.941 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(N3CCOCC3)n2)CC1 1705644028 FRZLFXMHBKXOSI-UHFFFAOYSA-N 465.602 1.821 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1705647468 GYRUQTVSCAJJFH-LAUBAEHRSA-N 480.569 1.671 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cnn(CC(C)C)c2C)CC1 1705769067 IBQSGOQOQCEEOH-FQEVSTJZSA-N 477.635 1.977 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1705890644 AKEYTHZEBKQEKT-SQNIBIBYSA-N 468.624 1.318 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCn1cccn1 1705904217 IVYVGFUYKYVWRL-QGZVFWFLSA-N 474.566 1.222 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1705933031 RPZNSCMDSYLKNW-UHFFFAOYSA-N 483.598 1.755 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1705934633 RONUNAGPFCURFJ-IBGZPJMESA-N 471.583 1.929 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H]1CCOC1 1706891560 GOFHNZYGLKNWDI-WDYCEAGBSA-N 460.560 1.374 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccc(OC)cc1 1722294104 GEAPJXAFEXJXRU-ABSDTBQOSA-N 477.587 1.545 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1722296715 UJYXZZAKSPSQOX-JBACZVJFSA-N 457.600 1.539 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CCS(C)(=O)=O)c1 1722307034 QDFZZMPWKNBFRX-PXNSSMCTSA-N 475.571 1.103 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1722332383 JYWLHCABZGAHPW-GOSISDBHSA-N 459.572 1.766 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1722396021 UUSVFQFSJFJXEG-HSZRJFAPSA-N 464.551 1.143 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1-n1cccn1 1722418823 DZHKHKBYZMVHCE-UHFFFAOYSA-N 457.498 1.640 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)C(=O)NCC)CC1 1722449312 POOAHLGYBXRCRQ-UHFFFAOYSA-N 471.631 1.762 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](c2ccc(C)o2)N2CCOCC2)CC1 1722451017 VVZZCSQHESVXDC-NRFANRHFSA-N 484.601 1.755 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccccc2C)CC1 1722451735 NDMVUEXVXPLHJI-LJQANCHMSA-N 476.672 1.885 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2ccccc2)CC1 1722453115 ZGZFSUUFKWUJNJ-LJQANCHMSA-N 476.672 1.967 30 10 JDEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722463416 BOWCPKUVEIYDEY-KRWDZBQOSA-N 470.624 1.392 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC(C)C)CC1 1722510846 XEUFLGMBXUCXAW-NJYVYQBISA-N 481.663 1.708 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1722554653 GGTVMULWBDMKDD-INIZCTEOSA-N 454.984 1.860 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1722724669 CTDMWAQJWNIDCD-QGZVFWFLSA-N 489.602 1.267 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722726548 GGICZLUWLYXUME-IBGZPJMESA-N 464.636 1.279 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1Br 1723954215 ICQAXDKKPUSGPK-JSGCOSHPSA-N 469.365 1.428 30 10 JDEE CSc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)ccn1 1731073794 AUMZOLATUJLMMV-KXBFYZLASA-N 481.579 1.218 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1740747217 BQGWUQVWWLUKQL-SJORKVTESA-N 467.412 1.856 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOC)[C@@H](CC)C1 1740763858 QRXGHTPEFIFXHF-QTEQDKRBSA-N 460.623 1.929 30 10 JDEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1740807612 HMRZSXHSYNXGGD-UHFFFAOYSA-N 484.996 1.664 30 10 JDEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740884517 CYCRJFHUGPHBMJ-INIZCTEOSA-N 461.592 1.498 30 10 JDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1741005632 MDUUCMJBSVECMS-UHFFFAOYSA-N 467.665 1.919 30 10 JDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCCC1 1744756034 HRFQMKGABJEMKI-GOSISDBHSA-N 456.572 1.889 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1748732147 UGZAHQXBTFISNL-ZDUSSCGKSA-N 466.593 1.008 30 10 JDEE C#CCN(c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1748815280 OCNNQLWXGHXUQP-QGZVFWFLSA-N 484.582 1.338 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(C[S@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1748819480 PEJCVMSPNBREQD-NBLPZQPVSA-N 497.646 1.817 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1748820500 CRRXLCQOBRJMKX-JOCHJYFZSA-N 495.609 1.773 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1748822140 YWFFIEVXEQWUQR-INIZCTEOSA-N 477.612 1.201 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748825388 YDQFHYYJGYIUTR-ZNMIVQPWSA-N 450.483 1.724 30 10 JDEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CCNC(=O)c1cc[nH]n1 1748856295 XYXGHMRCNGILBF-UHFFFAOYSA-N 482.342 1.846 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(O)(CC)CC 1748945266 OPOYZGMWSWKMLI-FQEVSTJZSA-N 493.605 1.941 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCNS(=O)(=O)CC)CC1 1748983342 OGWVOUDVGCSFGW-UHFFFAOYSA-N 481.022 1.692 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCn2cccn2)CC1 1749003281 DNKDEXTUNRYJHY-DEOSSOPVSA-N 469.590 1.571 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(C(N)=O)CCCC2)CC1 1749006242 KZUUYBBJWQXZNK-UHFFFAOYSA-N 494.596 1.974 30 10 JDEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCNC(=O)[C@@H]1CC 1749022502 BVVFXHCGVCLQJZ-INIZCTEOSA-N 475.644 1.628 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1CC 1749067811 XSTNVMHUYASIQA-WOIUINJBSA-N 464.636 1.478 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1749669828 LDMLDWYVSNCMSW-HNNXBMFYSA-N 461.954 1.966 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2([S@](C)=O)CC2)c1 1760128701 PUIGYBLXPZKMAO-IAQAZVPISA-N 454.556 1.197 30 10 JDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(=O)(=O)CC1CC1 1760164985 GHGHZCLVNUPEQF-UHFFFAOYSA-N 464.617 1.441 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1760191563 JNSZORPQPRHATM-HXUWFJFHSA-N 483.598 1.554 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(=O)NCc2ccco2)CC1 1760252355 PRHCFFUCDXQTCT-UHFFFAOYSA-N 495.971 1.526 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2csc([C@@H](C)OC)n2)CC1 1760269117 YQDQQPOXXDVZPY-OAHLLOKOSA-N 466.571 1.913 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cnn(C)c2)CC1 1760272180 BCOVZSUYNVDRIH-UHFFFAOYSA-N 451.560 1.352 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1760275548 ZWWDBHRMKISUEZ-QGZVFWFLSA-N 482.676 1.484 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1760284800 SITUJWVLEVLUOS-UHFFFAOYSA-N 458.636 1.153 30 10 JDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760302019 QMXDDGJJQHUXRB-AWEZNQCLSA-N 480.429 1.771 30 10 JDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1760343860 YTXLVDWLXNJSKU-KRWDZBQOSA-N 471.591 1.605 30 10 JDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760355707 SSNVDQSQYOQJHP-QGZVFWFLSA-N 451.535 1.773 30 10 JDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(OC)n2)CC1 1760427506 BLBJOZBENYQVBG-KRWDZBQOSA-N 461.592 1.662 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760516719 UIEYKHAJVWOJIU-BFYDXBDKSA-N 461.494 1.220 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760516931 YJUDIESXQMWJOE-QRQCRPRQSA-N 458.494 1.890 30 10 JDEE C=CCNC(=O)Cn1c(N(C)Cc2nc(O)c3ccccc3n2)nnc1[C@]1(OCC)CCOC1 1760527892 LNHPKMHWNVZNSJ-QHCPKHFHSA-N 467.530 1.518 30 10 JDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccncc2)C1 1761544539 GMXGNQSPEIZIRG-RXVVDRJESA-N 459.576 1.379 30 10 JDEE CS(=O)(=O)NCCn1c(CC2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1770361298 HDABFNVPCAGKMP-UHFFFAOYSA-N 471.631 1.754 30 10 JDEE COc1ccc(S(=O)(=O)N2CC[C@H](NS(=O)(=O)c3ccccc3C#N)C2)cc1Cl 1858323189 VJLFLORZQIZPTR-AWEZNQCLSA-N 455.945 1.962 30 10 JDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)Oc3cccnc3NC(=O)NN3CCN(C)CC3)cc21 1858807642 ZENCCHRGZVHMIZ-KRWDZBQOSA-N 494.552 1.927 30 10 JDEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCNC=O)cc(OC)c1O 1862634581 OUFVRQQUUDFLKY-HXUWFJFHSA-N 484.461 1.853 30 10 JDEE C=CCN1C(=O)C(Nc2ccc(S(=O)(=O)NC(C)=O)cc2)=C(c2ccc(OC)c(OC)c2)C1=O 1863153402 VEXOZIZESKOMMF-UHFFFAOYSA-N 485.518 1.907 30 10 JDEE C=CCn1cc(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)c(=O)cc1CN1CCC[C@H](C)C1 1870428532 IYTFVJMDWMAQBR-INIZCTEOSA-N 465.558 1.760 30 10 JDEE C=CCn1cc(OCC(=O)N2CCC(C)CC2)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870495702 FCWPQKMAUNWGRC-UHFFFAOYSA-N 460.575 1.946 30 10 JDEE Cc1c(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)nnn1-c1ccccc1F 1889557353 HCZLUNLTTNUJAM-UHFFFAOYSA-N 454.550 1.587 30 10 JDEE CN(CC(=O)N1CC(COc2cccnc2C#N)C1)c1nc2c(S(C)(=O)=O)cccc2s1 1891878723 WXJDFAUSIPURGX-UHFFFAOYSA-N 471.564 1.940 30 10 JDEE CC(C)(C)OC(=O)NCC1(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)COC1 2256679554 XZGVOPWTLLBBPE-UHFFFAOYSA-N 453.370 1.600 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](NC(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267000039 RXBOBRZAEMJXEC-YUELXQCFSA-N 465.381 1.806 30 10 JDEE CC1(C)OB(c2ccc(S(=O)(=O)N3[C@H]4CC[C@H]3CN(C(=O)C(F)(F)F)C4)s2)OC1(C)C 2267714468 XYLIPLUVLZWMPH-RYUDHWBXSA-N 480.339 1.974 30 10 JDEE Cc1nc(S(=O)(=O)NC(C)(C)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2267729164 GQBOJIQQKBBCPZ-UHFFFAOYSA-N 472.417 1.609 30 10 JDEE CC(C)(C)OC(=O)NCC1CN(CC(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268638454 SZNPWXBIAVEGPF-UHFFFAOYSA-N 466.413 1.515 30 10 JDEE CO[C@@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCCN(C(=O)OC(C)(C)C)C1 2268716313 DXNRMDXFYDSIJS-FQEVSTJZSA-N 468.385 1.614 30 10 JDEE C[C@H]1C[C@H](CNC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2281955571 MTGWOOGWHSOBPG-LSDHHAIUSA-N 463.388 1.737 30 10 JDEE 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473.603 1.499 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C(CC)CC)N(C)C 1300309722 VHUGLSKYFOHIMP-WDSOQIARSA-N 454.641 1.435 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCc2cnn(C)n2)c1 1300333115 WERHBUQMYJOOJE-LJQANCHMSA-N 461.530 1.047 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1300483168 JDNUTOOLXKWTBD-GCJKJVERSA-N 475.571 1.009 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1300488664 GASNVSKZHAAFCO-FQEVSTJZSA-N 462.535 1.895 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1300537339 FCAQADLYDKGKNA-GFCCVEGCSA-N 474.896 1.707 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1300780492 REBXIQUCGUGRES-YCRNBWNJSA-N 490.630 1.855 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 1300876015 RBLXTPAEDYUCGU-FHWLQOOXSA-N 495.650 1.207 30 10 JDEE 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C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1594813406 SAOFACJJVJTTAX-QRVBRYPASA-N 469.608 1.067 30 10 JDEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N1CCOCC1 1595179163 ZOFZGWCLMMLOCR-UHFFFAOYSA-N 487.630 1.974 30 10 JDEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1595387235 WILUMXZZZOLQHK-UHFFFAOYSA-N 451.531 1.717 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C(=O)NC)C1 1595577198 LIHJFLSXZLZSAH-MRXNPFEDSA-N 483.356 1.417 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1595760990 VWFJLJBMIQHCPE-ROUUACIJSA-N 453.609 1.660 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCCCCC[C@H]21 1595796789 CDSIVQWXMNXDMR-KZNAEPCWSA-N 456.634 1.940 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN2CCCC[C@H]2C1 1595811811 BSVFDAOECREXJD-SFHVURJKSA-N 450.634 1.909 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1595845693 YVZRRXFLAWORBK-UKRRQHHQSA-N 455.610 1.883 30 10 JDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1615666097 CNJBTFBUPBEJPK-INIZCTEOSA-N 451.574 1.122 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)CC1 1626032966 QNKXXOSUPDUQPN-LJQANCHMSA-N 451.614 1.383 30 10 JDEE C#CCSCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1666930165 MWBLMPDBSGSCIH-UHFFFAOYSA-N 452.602 1.796 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CC(F)(F)CO2)c1 1689868630 MNUPRVFAJWXURY-RHSMWYFYSA-N 496.540 1.369 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)N1CCOCC1 1689951232 PMBQPXMDZAPMQM-UHFFFAOYSA-N 460.604 1.376 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1689978399 UUPZXNIJOBLCPL-MRXNPFEDSA-N 464.617 1.359 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccco1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689988291 MERUGJOJLCWFDN-CEXWTWQISA-N 488.614 1.532 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1689989301 CXQABERAWUNNJD-RTWAWAEBSA-N 478.663 1.174 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1689998648 SDPNSDGJJOPPOQ-RCCFBDPRSA-N 461.592 1.115 30 10 JDEE C#CCSCCn1c(N2CCO[C@@H](Cn3cc(C)cn3)C2)nnc1[C@@]1(OCC)CCOC1 1690186424 PVVCOTDOJVMNMR-DENIHFKCSA-N 460.604 1.707 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2noc(C)n2)C1 1690231530 FMLKKOREPVYLSP-ZDUSSCGKSA-N 452.313 1.578 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)[C@H]1CC 1690250264 FISPMBFTVXUEDD-MDZRGWNJSA-N 458.588 1.966 30 10 JDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690310091 TWQMEWGYQSXKNN-MRXNPFEDSA-N 487.586 1.705 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1690313454 UVNYCOBJMWJQID-ZNMIVQPWSA-N 452.499 1.929 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)COCCO1 1690573841 GCJQLNVWUFVGMW-KXBFYZLASA-N 455.606 1.948 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1690668011 PIXKZTZNGFMJDQ-UHFFFAOYSA-N 462.558 1.014 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1690671567 YVKVQZYFWZTAAD-ROUUACIJSA-N 472.594 1.864 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2nccc(C(F)(F)F)n2)C1 1690686060 IUDPXQNDBLIWCX-KGLIPLIRSA-N 489.524 1.721 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1690726739 JYQLGRCGDXCHGK-ROUUACIJSA-N 467.617 1.619 30 10 JDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(S(C)(=O)=O)cc2)CCOC1 1696053223 GZDIIBFTOMFIGG-LEWJYISDSA-N 463.535 1.824 30 10 JDEE Cn1cc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NCC(F)(F)F)CC2)cn1 1696858471 AXMUCCNXCVVHPF-UHFFFAOYSA-N 473.463 1.555 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1705558819 JGKSJMJIXABVCU-YWZLYKJASA-N 465.601 1.012 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CCCS1(=O)=O 1705630909 LKCROHHCDUOJFI-SFHVURJKSA-N 496.634 1.472 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2csc(CC)n2)CC1 1705648007 OZCFURRCVWOKGH-KRWDZBQOSA-N 455.588 1.457 30 10 JDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)c1ccccc1 1705741578 TUEQAKUJSVVTIC-LAUBAEHRSA-N 479.628 1.617 30 10 JDEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1705778485 XXBPIDHBDFVNFE-UHFFFAOYSA-N 494.639 1.691 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1705820051 ZQEMKJXGJSONPF-LJQANCHMSA-N 498.650 1.882 30 10 JDEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705912730 RYNVWFDXNZPVDV-UHFFFAOYSA-N 469.571 1.866 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705930856 XSHAHDWTBIXBMQ-HZPDHXFCSA-N 478.550 1.372 30 10 JDEE CC(=O)N1CCCN([C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(C)(C)O)C[C@H]2C)CC1 1705983361 VXCWYDXWNCRALR-XXBNENTESA-N 495.628 1.879 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCN(C(C)=O)CC1 1722370424 KKZBTFKFHIHQAL-UHFFFAOYSA-N 481.988 1.098 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1722370610 DBTPCMZJNFEPNB-NHCUHLMSSA-N 490.674 1.395 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1722372147 QHPZMGDSULEYMR-JPYJTQIMSA-N 471.583 1.005 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]1c1ccccc1 1722397788 ULSUCCXBILJRRP-FKBYEOEOSA-N 467.595 1.878 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2=CCCOC2)CC1 1722434032 KNGQWHBIJOBLKI-UHFFFAOYSA-N 470.599 1.297 30 10 JDEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1722464171 WZCDHDKWIKNRCO-UHFFFAOYSA-N 453.565 1.444 30 10 JDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1722481583 DMQSQFFCYJIRJI-DNVCBOLYSA-N 491.438 1.966 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722492608 DDEAIEAHTLQELS-FUHWJXTLSA-N 487.605 1.698 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCS(=O)(=O)CC 1722507204 XGFZKAHEKMCOON-UYAOXDASSA-N 450.609 1.992 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1722618856 VZNKQXLAIQDWAM-ZWKOTPCHSA-N 453.609 1.709 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1csc(C)n1 1722690520 JZTSAUZCMAOPFJ-IUODEOHRSA-N 453.594 1.297 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1722695009 PAUKSISPKIMPKR-DLBZAZTESA-N 454.531 1.322 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](C)(C(N)=O)C1 1722724369 VAWFLIIICMCKCS-QGZVFWFLSA-N 471.381 1.338 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1722736595 CDDJGIKHCVVSEV-KPDCDPCYSA-N 494.589 1.840 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COc2ccccc21 1722867292 FZKIXSNREXGDSH-GPMSIDNRSA-N 460.560 1.383 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1740616740 GETKOVINSXEOHZ-BSRJHKFKSA-N 491.589 1.251 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1740623878 CCOCWDVLSXTORP-HXUWFJFHSA-N 480.594 1.867 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1740629413 MRAUAIZBQDQFGT-LNLFQRSKSA-N 479.628 1.750 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)N1CCSCC1 1740646466 AGOULAFCFCFNGX-JOCHJYFZSA-N 495.671 1.160 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(N(C)C)CCOCC2)CC1 1740703510 VMYLHZDMTXAHMX-RUZDIDTESA-N 488.633 1.007 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC(F)(F)F)CC1 1740751356 JCOGVMLJSFDMOW-ULQDDVLXSA-N 494.584 1.944 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1740825746 SWHRVSORDSONAE-OALUTQOASA-N 466.608 1.026 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(N(C)C)c1)C1CC1 1740911112 WIEQYWYXIAQJML-FQEVSTJZSA-N 460.604 1.880 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1740943759 JHFUUMGAIPSBDE-SFHVURJKSA-N 458.588 1.973 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1740987477 UNWDYSUPYBJGBM-AWEZNQCLSA-N 469.514 1.814 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1740990216 MLJHAFHVCICOIB-QFIPXVFZSA-N 482.610 1.797 30 10 JDEE CCOC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1747285485 HDRZTBHBEQSOSU-VQTJNVASSA-N 488.614 1.873 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1748818293 YSDAQKQVMYYNSV-WBFXSEPVSA-N 498.671 1.402 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C(CC)CC)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748824570 QTTACNQSTWCUPR-BHDDXSALSA-N 493.674 1.893 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1748842190 GGXIBQRPYADAGY-QGZVFWFLSA-N 464.551 1.182 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](CC)N2CCc3ccccc3C2)CC1 1748972207 CXLHFTKVXXUEPR-OFNKIYASSA-N 499.685 1.480 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1748973275 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C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OCCC)nc1)[C@@H]1CCS(=O)(=O)C1 1760190250 UYFJPYOPHOTBJZ-GOSISDBHSA-N 467.555 1.594 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc3ccccc3s2)CC1 1760254030 MCKJFQKSEPBMIF-INIZCTEOSA-N 458.613 1.907 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1760319763 UFJAKADDYUZQKN-UPVQGACJSA-N 493.612 1.683 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1760523981 MHQYEEDOKFRBKK-SFHVURJKSA-N 486.548 1.341 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1760526916 WFNOEADPFGHJEU-MSOLQXFVSA-N 487.630 1.119 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(N2CCNC2=O)CC1 1760529074 WHJIIEBTEINEBO-IEBWSBKVSA-N 459.595 1.493 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(Cc2cccs2)CC1 1760553860 KGVJTPBGCINPRW-UHFFFAOYSA-N 459.601 1.720 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1760565530 YXRSDZYACRPHIH-HKUYNNGSSA-N 475.663 1.718 30 10 JDEE CN(C)C(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1766847805 DISWPNWRONHNRK-OAQYLSRUSA-N 499.641 1.935 30 10 JDEE C=CCN=c1nc(N2CCN(c3ccc(F)cc3)CC2)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871633295 WOQOAYHJDCABPU-UHFFFAOYSA-N 488.527 1.748 30 10 JDEE CC1(C)OB(c2ncc(CNS(=O)(=O)N3CC(OCc4ccccc4)C3)s2)OC1(C)C 2043687671 UUJWUJNLQDAAEP-UHFFFAOYSA-N 465.406 1.678 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC/C=C/CNC(=O)OC(C)(C)C 2255949142 UTGWEDDLLUXUMG-MDZDMXLPSA-N 456.374 1.079 30 10 JDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256621126 QPNPQCOJRBECSB-LBPRGKRZSA-N 455.342 1.837 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2267708706 OWYZIHXJFHPIBC-CABCVRRESA-N 488.437 1.759 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H]1CCN(Cc2ccccc2)C1 2267713101 KZVMRFXTXUEPBC-GOSISDBHSA-N 460.409 1.520 30 10 JDEE Cc1c(C(=O)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281798122 DKVAPSJGXBXKAJ-HNNXBMFYSA-N 466.388 1.328 30 10 JDEE C[C@H](CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1 2281932211 ZAHWDHVPVDVVEA-OAHLLOKOSA-N 463.388 1.380 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@](O)(CNC(=O)OC(C)(C)C)C1 2282043916 LZPZCJYTBJBHQR-JOCHJYFZSA-N 464.372 1.211 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCO[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)n1 2282049860 GJJDXMRRFADLRV-CVEARBPZSA-N 462.356 1.180 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC(O)(CNC(=O)OC(C)(C)C)CC2)n1 2282050240 LANAZFRECBZOTQ-UHFFFAOYSA-N 464.372 1.211 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@H]2CN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282302201 KLGVXGHCBBJZLV-BMGDILEWSA-N 479.408 1.915 30 10 JDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)(C(=O)O)C1 2282394669 BBHDZUZNQRWTJR-UHFFFAOYSA-N 464.299 1.929 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=[S@](C)(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 2282551472 JQYZQOPPKAUTSM-RPLXOIEJSA-N 482.412 1.967 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)CC1 2282584910 XMIQABDOZWRRPT-HOCLYGCPSA-N 464.372 1.447 30 10 JDEE Cc1csc(C(=O)N2CC(C(N)=O)(N(C)C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282603908 MQVKNRCGTJITGN-UHFFFAOYSA-N 479.408 1.903 30 10 JDEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2282629124 SDWGCIRCNMAEEY-YSVLISHTSA-N 464.372 1.520 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCCO1 2282708345 KWPQXSHWEOJQSC-HNNXBMFYSA-N 462.356 1.532 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282861798 UGHRPRIVCPRNNU-DLBZAZTESA-N 483.396 1.029 30 10 JDEE Cc1nc(S(=O)(=O)N[C@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282875990 WWJPBDCKOHMTSZ-CABCVRRESA-N 484.428 1.609 30 10 JDEE Cc1nc(S(=O)(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1C 2282878476 GOXMMJPRNHSTDN-RRFJBIMHSA-N 482.412 1.314 30 10 JDEE Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2312859787 ILBDYECNMMKUAY-YTQUADARSA-N 466.347 1.859 30 10 JDEE CC(C)(C)OC(=O)N1CC(Nc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 2317236190 KWNODEAIYDGVMN-UHFFFAOYSA-N 452.748 1.921 30 10 JDEE Cc1ccc(/C=N/Nc2nc(SCC(=O)N3CCN(Cc4nnc(C)o4)CC3)n[nH]2)cc1 20908196 AVMMXNHGAOZKJD-SRZZPIQSSA-N 455.548 1.687 30 10 JDEE Cc1cc2c(cc1S(=O)(=O)N1CCN(C(=O)c3ccc(C#N)cc3)CC1)O[C@H](C)C(=O)N2 64889687 QSTDSVUIJQTQPW-OAHLLOKOSA-N 454.508 1.733 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)C1=O 726195811 WLBMVDUBLQWNMN-UHFFFAOYSA-N 472.502 1.054 30 10 JDEE CCn1c(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc(=Cc2cnn3ccccc23)c1=O 729670240 NOMNVGFZNKPZCR-UHFFFAOYSA-N 473.514 1.490 30 10 JDEE Cc1cccc(C)c1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn3ccccc23)c1=O 729672090 WMQSRPKNVAFMDE-UHFFFAOYSA-N 455.543 1.945 30 10 JDEE Cn1c(=O)c2c(nc(Sc3nnc(NN=Cc4cccc5ccccc45)n3N)n2C)n(C)c1=O 1084014624 NFFLVQJQFAQJPJ-UHFFFAOYSA-N 476.526 1.026 30 10 JDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(C)CCc3cccc(C#N)c3)cc2)CC1 1132514085 JZIYRCVHYMWMTG-UHFFFAOYSA-N 454.552 1.726 30 10 JDEE N#Cc1ccc(Cl)c(S(=O)(=O)NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)c1 1193257871 HQJPPVLNKWLQHY-UHFFFAOYSA-N 453.973 1.921 30 10 JDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(NC(=O)OC(C)(C)C)COC1 1286370020 YQBQJKFIPLQDOR-UHFFFAOYSA-N 465.514 1.957 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1286380409 IEPBWOBYDWTCPX-HNNXBMFYSA-N 450.952 1.140 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sccc1Br 1286446889 IKLABOGVHRPBOM-CQSZACIVSA-N 488.433 1.943 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cc(C)no2)CC1 1286495692 CFTYKAOUNJLZFS-UHFFFAOYSA-N 466.571 1.910 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCCN1CCN(CC)CC1 1286517156 OOXXLOOKATTYGV-DENIHFKCSA-N 465.668 1.298 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(S(C)(=O)=O)CC1 1286554878 ZOBBGTBCIYUXPT-IEBWSBKVSA-N 476.559 1.916 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2[C@H](CCCN2C2CC2)C1 1286601722 XOTJERUBMAIIOB-NSHGMRRFSA-N 466.652 1.934 30 10 JDEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286630661 SGLFBYPDJHPXMG-UHFFFAOYSA-N 464.904 1.827 30 10 JDEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1CC1(O)CCS(=O)(=O)CC1 1286747054 GURMOPVHJOUVQX-UHFFFAOYSA-N 467.617 1.610 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1286763380 YBEQZPURPDCNOK-DEOSSOPVSA-N 484.626 1.924 30 10 JDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(NC(=O)COC)CC1 1286785758 RVMMCPNMIPFIBM-UHFFFAOYSA-N 465.558 1.470 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286789039 NQJYJAVSONBBKC-QGZVFWFLSA-N 464.567 1.076 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(CS(C)(=O)=O)c2)C1 1286810716 VBBSLTQZKLJCEE-PMACEKPBSA-N 494.639 1.554 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(C(C)=O)CC1 1286815066 KGSPAPJRLQHQHK-UHFFFAOYSA-N 462.532 1.513 30 10 JDEE CC(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1)N1CCOCC1 1287162488 HXZURCZLPZUQDB-NRFANRHFSA-N 472.615 1.654 30 10 JDEE CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1295650908 COLHKGRMLILBGG-UHFFFAOYSA-N 469.571 1.516 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCOc1ccc(S(C)(=O)=O)cc1 1300267095 DIQAXAISWMUBNK-INIZCTEOSA-N 468.539 1.866 30 10 JDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1300432309 GCORLGSYXDCISG-SJLPKXTDSA-N 450.609 1.470 30 10 JDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCCN1CCCO 1300456300 YSMBQFCWFJWMBB-IBGZPJMESA-N 463.586 1.981 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCN1CCN(C)C(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1300496116 ODKFSCYWZNEXLM-LJQANCHMSA-N 464.680 1.519 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCn1cc(Cl)cn1 1300527655 JPBLLKGBDUTCJW-UHFFFAOYSA-N 456.963 1.861 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(CS(C)(=O)=O)CC1 1300560713 IMFGRPIGRWHJMZ-UHFFFAOYSA-N 474.608 1.636 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC1(S(C)(=O)=O)CC1 1300657843 SNCJIUIKNMCUML-UHFFFAOYSA-N 470.393 1.709 30 10 JDEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1300675399 QOGNEKDUGDERDP-IBGZPJMESA-N 457.556 1.640 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1300688722 KGMWGNWWNVSBEF-FQEVSTJZSA-N 491.639 1.071 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1301492615 LGHAEPGFEHVTPJ-IBGZPJMESA-N 497.600 1.847 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1301508404 KBASEXVIZWYGII-QGZVFWFLSA-N 452.519 1.650 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccccc2OC)CC1 1301509922 QFTFYJXYPLEMIS-UHFFFAOYSA-N 495.609 1.907 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOC(C)(C)[C@H]1C 1301575965 NWYXLNCCEUYERB-MRXNPFEDSA-N 482.628 1.953 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1301595669 ZMSRUCLYRWPNBA-KBPBESRZSA-N 470.587 1.880 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCN(C)C1 1316089369 FTYYYUZWDUBTEC-VWLOTQADSA-N 478.601 1.731 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCC(N4CCNC4=O)CC3)n2CC(=O)NCC(F)F)c1 1316528790 HQUUPPZFOAXQGA-UHFFFAOYSA-N 458.473 1.192 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1OC(F)F 1358890762 VLZZLQZPDQIORJ-CXAGYDPISA-N 487.504 1.858 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCCC[C@@H]2C1 1358913810 YTQYKDMVSLYNRD-MOPGFXCFSA-N 450.609 1.089 30 10 JDEE C#CCCCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1358936390 MHHSWWUCNDEKIB-HSZRJFAPSA-N 460.579 1.306 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1358958852 XFZOFUBOCGRICX-GOSISDBHSA-N 459.528 1.785 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)CC 1359025352 LFRYCGMPCMZWMT-QGZVFWFLSA-N 464.567 1.151 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1359047634 NTMGLPPPOPSPEQ-HXUWFJFHSA-N 482.560 1.877 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2)C1 1359057671 GAMMKPJVBULBCO-PMACEKPBSA-N 491.639 1.555 30 10 JDEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1359181092 FEMKVXFMWQPLAG-JOCHJYFZSA-N 457.556 1.681 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC(=O)NCc1ccccc1 1360693367 HMBMSZVXQJZYEF-VGSWGCGISA-N 473.603 1.725 30 10 JDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCc1ccc(OCCN2CCCC2)cc1 1458364082 HBSYQTOCSHXVFW-UHFFFAOYSA-N 456.568 1.559 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)CC1 1476060746 CMFZKXLZVUYFDX-UHFFFAOYSA-N 452.540 1.927 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCNS(=O)(=O)c1ccc(C)s1 1507514280 PZPUVEYOCHKUJP-AWEZNQCLSA-N 473.584 1.732 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 1507622252 HNYMTRPKSOXHGO-INIZCTEOSA-N 470.580 1.970 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1507635969 WRKBHXRRAFAMOV-TZIWHRDSSA-N 483.642 1.874 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507655698 MXCHNBMLOYOMQW-MOPGFXCFSA-N 490.630 1.704 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)N[C@H](C)c2ccccc2)CC1 1507720425 DINLMDANCOGXRT-WOJBJXKFSA-N 487.674 1.773 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN(C)c2ccccc2F)CC1 1507731650 NYXHXIIORLPADZ-IBGZPJMESA-N 474.606 1.601 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1507732374 UTWXMVYGEUGLKM-RTBURBONSA-N 473.599 1.412 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@]2(CCOC2)C1 1507751625 QGYJILVQZGUOFC-WZONZLPQSA-N 493.630 1.949 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1507832170 QNWODCMCJAQTCM-WIYYLYMNSA-N 465.551 1.424 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1508083719 ARXAMFYJTFHOJG-UHFFFAOYSA-N 499.572 1.216 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1508086467 LOWUXAOPAGTFHF-QGZVFWFLSA-N 467.578 1.080 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@H]1CCOC1 1508095006 KJJZEBKYTQYKCD-NRFANRHFSA-N 453.591 1.170 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)nc2OC)C1 1508125601 PNGAHTUBDXFZIF-SJORKVTESA-N 463.560 1.422 30 10 JDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1508147256 HHJDTMDDXWLPCN-UHFFFAOYSA-N 458.592 1.156 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H](C)C1 1508246186 UKEGPKWLZCAVGW-MESBPSPMSA-N 467.505 1.668 30 10 JDEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1)N1CCOCC1 1508849006 CPIHZCISJXPBER-OAQYLSRUSA-N 451.575 1.875 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C2CC2)N(C)C)CCO1 1517543444 FPAVEXWBWXLFSV-VQTJNVASSA-N 453.547 1.020 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCCN1CCCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539210688 FRQLRHMQNIPZDW-VQTJNVASSA-N 472.615 1.468 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCN1CCCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539222889 XZDWCCNOUQKPLB-ACRUOGEOSA-N 479.647 1.647 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CCCN1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 1539226299 XFDHTUZRQDLPAI-LJQANCHMSA-N 477.656 1.404 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1539317742 HIVDSLLNTFZJOR-RTWAWAEBSA-N 460.538 1.858 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1539434902 XLMKHBKYWAVWKH-GOSISDBHSA-N 473.599 1.542 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C[S@@](C)=O)cc1 1539668693 CEZIXNMAFJIERW-QTYPKTMWSA-N 495.671 1.940 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2([S@@](C)=O)CCC2)CC1 1539848837 SBGNDDJIYCGSMF-HYDGNGQDSA-N 457.622 1.069 30 10 JDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)N1CCN(CC)CC1 1540054715 UYFGAJPKVJRINE-LJQANCHMSA-N 475.663 1.844 30 10 JDEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1540854050 BYIDPKWCMIWJCR-LJQANCHMSA-N 454.575 1.899 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1540858255 OISWPNGZSWAZHX-OTWHNJEPSA-N 462.595 1.929 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1540863076 OSZUHYLJLUDBQY-KURKYZTESA-N 478.594 1.607 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1540900854 KETPHICPQXLELZ-INIZCTEOSA-N 461.548 1.958 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1540902205 CQBDLFMOYADDBK-OALUTQOASA-N 464.592 1.531 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1552378611 CSDPOVIWPSERIO-CABCVRRESA-N 468.605 1.014 30 10 JDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1552733766 HXKDFZAVSSHKOS-GOSISDBHSA-N 460.560 1.220 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1587562036 KHLWDDVMFFCWNK-JKSUJKDBSA-N 450.536 1.955 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1588030321 SKMCNYKJLJYLNK-HKUYNNGSSA-N 479.628 1.066 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCOC[C@H]1C 1588695145 DUXQGLCEWZUMAW-AQNXPRMDSA-N 476.622 1.856 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCOC(C)(C)C)CC1 1588763428 XPCPAUOXGXDSDT-UHFFFAOYSA-N 474.631 1.766 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCOC(F)(F)F)CC1 1588891767 SUXXDNSLOBXHSO-HXUWFJFHSA-N 473.496 1.823 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCCNC2=O)CC1 1589482769 LCOCIOLZNHFOKF-HKUYNNGSSA-N 459.595 1.782 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C1CCC(NC(C)=O)CC1 1595516981 MIPVIVZHVFADPP-UHFFFAOYSA-N 468.558 1.902 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1595648585 FUBHFRSIOXKUIO-BSRJHKFKSA-N 491.614 1.886 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCNS(=O)(=O)c2ccccc2)C1 1595720822 BXEGZHHLFQLRMN-MOPGFXCFSA-N 461.588 1.932 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1595811988 JLRYBSANTGIWPL-GOSISDBHSA-N 480.660 1.393 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(F)cccc1F 1611307760 GPPVKUSEXZCYHT-KBXCAEBGSA-N 468.530 1.870 30 10 JDEE CN(C)c1ccc(-c2nnnn2[C@@H]2CO[C@@H]3[C@H](NC(=O)Nc4cccc(C#N)c4)CO[C@@H]32)cc1 1614388691 KDRQYKKPNYLJRW-XRXFAXGQSA-N 460.498 1.807 30 10 JDEE C#CC1(O)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 1653281230 BMCQEEQTYAYZJP-UHFFFAOYSA-N 450.866 1.966 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCn1cnnn1)[C@@H]1CCS(=O)(=O)C1 1689982208 JLNMHWHGOFVONT-QGZVFWFLSA-N 460.951 1.302 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C)c(C)s1 1690047724 XNXFZFXXRONRGZ-QGZVFWFLSA-N 462.601 1.196 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCOC[C@@H]1OC 1690063605 JQNIDDCKGYLQMC-QUCCMNQESA-N 461.588 1.706 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1690154684 WRNAENAMBONGQS-UHFFFAOYSA-N 468.583 1.549 30 10 JDEE C#CCSCCn1c(C(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1690155594 LUTNNFGWNOQXIL-IXDOHACOSA-N 483.660 1.894 30 10 JDEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1690159906 QNOIVAOCQGTDMW-INIZCTEOSA-N 473.555 1.978 30 10 JDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1690165971 PJKMDHNWBOXJMA-KRWDZBQOSA-N 458.565 1.667 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1690227790 HIBLMJNHRUDPRT-KRWDZBQOSA-N 494.438 1.709 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1690345771 CTMDZHQUQAHNJM-ZOKDDAQRSA-N 488.035 1.737 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1690484638 ANYPANWRQDWFIH-HXUWFJFHSA-N 477.635 1.999 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1690485152 MINAXIIAJARXKS-ZWKOTPCHSA-N 495.675 1.917 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1690644418 JTYOOBPYEFXFLK-INIZCTEOSA-N 467.621 1.197 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](C(F)(F)F)C1 1690676671 AEOUMUXKJZVFMM-MRXNPFEDSA-N 455.437 1.935 30 10 JDEE CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCCC1(C)C 1696828999 BWPWZVZQFNJCCS-QFIPXVFZSA-N 476.603 1.655 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1705524592 PJTYWPLDZVWTCZ-MRXNPFEDSA-N 479.006 1.804 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705570142 NEMJMGOJKFEUER-NHCUHLMSSA-N 458.632 1.867 30 10 JDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1705600935 QXFJBLQKQVVORZ-FCHUYYIVSA-N 483.642 1.807 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2[C@@H]2C[C@H]2C)CC1 1705647079 ZODQTMGCFTXCIY-OXQOHEQNSA-N 470.599 1.742 30 10 JDEE C=C(Br)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)CC1 1705687445 DOJGXFRTKCFGGH-UHFFFAOYSA-N 461.368 1.687 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)c2ccccc2)CC1 1705781634 FDDLNHNAORGWFQ-OFNKIYASSA-N 475.615 1.921 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC1 1705860347 HQMUOPHJEYMXGQ-LEWJYISDSA-N 486.598 1.712 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1705898816 YTHQPWNXQVGKLU-UHFFFAOYSA-N 468.558 1.713 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1705904399 OBVOTQOFRRDTLV-HKUYNNGSSA-N 458.588 1.563 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc3c(c2)CCO3)C1 1705917508 XAKNGLGGTJBMNS-VQIMIIECSA-N 461.588 1.847 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1705931782 AELBHZINURTDLR-QGZVFWFLSA-N 469.571 1.399 30 10 JDEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1711020979 COZBNWTWVISAGA-FQEVSTJZSA-N 497.581 1.673 30 10 JDEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)CC(F)(F)F 1711207902 GVUQZRRJKTXZJY-UHFFFAOYSA-N 487.490 1.898 30 10 JDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1722309325 AAWMNRAEBIABFD-GOSISDBHSA-N 459.572 1.998 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCN1CCOC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1722360029 CGSZEDVWWFBQHN-IBGZPJMESA-N 458.588 1.078 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1722361163 MCDRERDCWVQAMO-AVRDEDQJSA-N 457.531 1.947 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCN1CCCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1722368088 ZBOOXCNFQOZXRU-OAQYLSRUSA-N 484.626 1.683 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2nc(C(F)(F)F)cs2)CC1 1722440083 BGPGWYCARGYZGI-UHFFFAOYSA-N 467.521 1.874 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(F)c(F)c2)CC1 1722440321 CPOVEEIGKJYNDR-UHFFFAOYSA-N 458.513 1.903 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2csc(C)c2)CC1 1722446975 FJMZWCGMIQYKAG-SFHVURJKSA-N 461.613 1.564 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CC(F)(F)CO1 1722449164 QZXADWIVFSVKAR-OAHLLOKOSA-N 458.469 1.702 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCn2cc(Br)cn2)CC1 1722450245 AVPDYJGSYQHBLD-QGZVFWFLSA-N 476.379 1.755 30 10 JDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722480873 UNNLAAICAQFEAQ-IEZWGBDMSA-N 499.454 1.900 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1722494238 NTBQUBUFHCAJMR-QUCCMNQESA-N 494.662 1.794 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722694771 HXTYYLQPJWJFGY-NQIIRXRSSA-N 451.575 1.236 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(=O)N(C)C)C1 1722717766 DCFJVVBACJGRCP-ZWKOTPCHSA-N 478.594 1.846 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1722729017 VVKCLFPAQAGQKU-UHFFFAOYSA-N 494.706 1.992 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1722730077 HSILRHGLNSERQC-NRFANRHFSA-N 464.680 1.828 30 10 JDEE C[C@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCCS1(=O)=O 1723768577 DQZRUUNOJOVPQB-OAHLLOKOSA-N 479.994 1.635 30 10 JDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1728185762 FJQVHNSLCXJVSW-FQEVSTJZSA-N 451.575 1.892 30 10 JDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1730624514 FEAOQEHMDYBTOX-WMZHIEFXSA-N 453.547 1.645 30 10 JDEE CS(=O)(=O)Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1730999615 AYZPHKLXUAYGLJ-OAQYLSRUSA-N 460.535 1.549 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1740592445 XSMSAOIGWBPETA-RTWAWAEBSA-N 495.646 1.579 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1740603306 MYSHSZORLUXHEE-UYAOXDASSA-N 491.639 1.622 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1cc(F)ccc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740627557 IKTQJNRAJIIWAD-FQEVSTJZSA-N 491.589 1.465 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCNC(=O)OC(C)(C)C)CC1 1740688290 CSKAQPBGUMRLEN-UHFFFAOYSA-N 459.595 1.574 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1740694582 NSJGJQFUYYQHMF-OAQYLSRUSA-N 455.559 1.703 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2ccccc2F)CC1 1740695960 IFKUVWXIPKTNRP-QZTJIDSGSA-N 461.563 1.542 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](OC)C(C)C)CC1 1740703499 VGHONXRLSNZEIU-NRFANRHFSA-N 487.626 1.985 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1740704737 SWIXXLLDPNMTKE-QGZVFWFLSA-N 458.588 1.074 30 10 JDEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1740885024 VBMCYGKOEMORFI-UHFFFAOYSA-N 467.530 1.482 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740964343 NWDZTFYTABIMMH-UHFFFAOYSA-N 476.603 1.328 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1740994156 NEMYXNMBWTZGTG-QUCCMNQESA-N 473.599 1.729 30 10 JDEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(O)CCS(=O)(=O)CC1 1741798590 CPDMYGMSCLMQKT-QGZVFWFLSA-N 469.571 1.809 30 10 JDEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1)S(C)(=O)=O 1746308367 CEBZZOWKVRKEJA-NHCUHLMSSA-N 488.614 1.873 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2CC(=O)N(C)C)c1 1748695140 YKCAPCOQWIPNOS-UHFFFAOYSA-N 479.566 1.414 30 10 JDEE C#CCCCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1748730098 IAFILVAHAMRGFE-HOTGVXAUSA-N 469.518 1.935 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1748789778 CJBHVXYFGUIFCC-WSTZPKSXSA-N 492.671 1.825 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1748809976 YDQYDPMLKRSKSD-SJORKVTESA-N 466.585 1.441 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCCN2CC)CC1 1748979980 VLCAKMZZPOFKNL-OAQYLSRUSA-N 485.658 1.435 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(=O)N(CC)CC)cc2)CC1 1748988816 BZURAXLKTZCQAO-JOCHJYFZSA-N 498.653 1.466 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2c(C)noc2C)CC1 1749001120 JBBTUNBBFAHVSP-UHFFFAOYSA-N 476.541 1.739 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCCC[C@H]2CC)CC1 1749009045 FJNXINXPBUIOIX-UXHICEINSA-N 455.607 1.460 30 10 JDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1749037288 DAYVMIXXQWEYLR-SFHVURJKSA-N 493.659 1.091 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1749170277 JDDOVUUUFLDHIY-IBGZPJMESA-N 461.636 1.723 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1749341539 HSTUWEKIAXMGJU-INIZCTEOSA-N 464.617 1.980 30 10 JDEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749457989 UPKIYLZFZMQLPK-UHFFFAOYSA-N 484.576 1.872 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1749663382 CJCIFRABRIMUNE-IBGZPJMESA-N 473.603 1.473 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCO[C@@H]2C)C1 1749713453 TYHJXPWTKZNYAB-FLFXDLLNSA-N 493.605 1.908 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760179610 VRISXBFOAGFJGH-GBXCKJPGSA-N 485.610 1.439 30 10 JDEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(=O)N2CCOCC2)CC1 1760381161 ATTFYQOBBMJEFN-UHFFFAOYSA-N 458.950 1.877 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](CC)O[C@H](C)C1 1760450657 PFHLWQYOERHFNO-SQNIBIBYSA-N 457.597 1.207 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CC1 1760478912 XBTFXUPBPVLARK-IBGZPJMESA-N 477.587 1.337 30 10 JDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1CN(C(=O)OC(C)(C)C)C1 1762610604 CXAWWFKIXHKJOV-OAHLLOKOSA-N 453.551 1.830 30 10 JDEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)c(OC)n1 1768653480 HRZWCPNGZAKBJD-SFHVURJKSA-N 468.539 1.901 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCO[C@@H]1C 1771100063 FQIVIVUDLLWDGP-UZUQRXQVSA-N 451.531 1.743 30 10 JDEE N#Cc1cccc(NC(=O)[C@H](CO)NC(=O)C[C@@H](c2cccc(Br)c2)c2nn[nH]n2)c1 1867250208 IAFQHKGAGJZBDN-IRXDYDNUSA-N 484.314 1.472 30 10 JDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2nnc(C)s2)cn1CCOCCO 1870571596 HJXHLKIKXUXSEQ-UHFFFAOYSA-N 463.560 1.209 30 10 JDEE C#CCNC(=O)[C@@H](C)S(=O)(=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2074766890 UIEBVPOYBVXXIO-OPAMFIHVSA-N 498.557 1.921 30 10 JDEE CO[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2183879913 JKOVVZQRAZXQLU-HOTGVXAUSA-N 462.356 1.986 30 10 JDEE CC(C)(C)OC(=O)NCCn1cc(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)nn1 2206639211 ZQHXFQXQFSVMHT-UHFFFAOYSA-N 458.328 1.749 30 10 JDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CCOC[C@H]3NC(=O)OCc3ccccc3)[nH]n2)OC1(C)C 2255632645 PLDHDYOYLDILCD-SJLPKXTDSA-N 470.335 1.523 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2255646981 ZISLRWXHVLEEIO-FQEVSTJZSA-N 453.370 1.544 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2255836996 IHAORELLHIHVMZ-KBPBESRZSA-N 453.370 1.542 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CO1 2267099049 GVNZWYUOOYBEFW-UONOGXRCSA-N 450.345 1.369 30 10 JDEE 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C#CCN(C(=O)c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 729331967 RZWLYXMTCRTVAZ-LJQANCHMSA-N 486.546 1.984 30 10 JDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1cccs1 729670593 XHAORQBRQIEEAN-UHFFFAOYSA-N 463.588 1.943 30 10 JDEE C=CC[C@H](NC(=O)CNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757353773 GOAANALPIQTANQ-FQEVSTJZSA-N 451.479 1.787 30 10 JDEE O=C(CSc1n[nH]c(NN=Cc2ccccc2[N+](=O)[O-])n1)Nc1ccc2c(c1)C(=O)NC2=O 1084331497 BCAVKDPPXKKGDV-UHFFFAOYSA-N 466.439 1.773 30 10 JDEE COc1cc2c(cc1OC)CN(C(=O)CSc1n[nH]c(NN=Cc3cn(C)nc3C)n1)CC2 1084408774 AIWAEVMRDRBAAH-UHFFFAOYSA-N 470.559 1.987 30 10 JDEE Cc1ccc(C=NNc2nnc(SCCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n2N)cc1 1084568923 LGHJTPSAJJBIGR-UHFFFAOYSA-N 464.511 1.751 30 10 JDEE C=CCn1cc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)nn1 1130119783 RDVBVOWYWQLHOX-ZIAGYGMSSA-N 453.952 1.845 30 10 JDEE C=CC1CCN(CC(=O)N(CCCOC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)CC1 1167406708 UJLTWOPXDNDKRY-UHFFFAOYSA-N 455.559 1.847 30 10 JDEE C#CCN1CCC[C@H](NC(=O)NCCCNC(=O)c2cc(OC)ccc2Br)C1 1234193236 FTOODHUONOVLSP-HNNXBMFYSA-N 451.365 1.974 30 10 JDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286313555 CGQOAZCLPPKROE-GOSISDBHSA-N 464.530 1.496 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1286391408 IBLIQBNEMAJKBG-SFHVURJKSA-N 464.661 1.848 30 10 JDEE C#CCN(c1nnc(CC)n1Cc1ccc(C)cc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286395668 SKFAXYACGQLQOJ-FQEVSTJZSA-N 457.600 1.661 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(OCCO)c(OC)c2)CC1 1286487298 UGUVXDSDXTWQBZ-UHFFFAOYSA-N 455.559 1.795 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1286509315 OUYPDFXQBXAZRO-DLBZAZTESA-N 492.602 1.594 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCCN(Cc2noc(C)n2)CC1 1286791488 UILCSMJRLZXNMD-UHFFFAOYSA-N 486.527 1.853 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 1292132859 DPTYLUHCFIEHKZ-GOEBONIOSA-N 457.501 1.809 30 10 JDEE 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30 10 JDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1300830606 HJCHWPAWKXJLNS-CQSZACIVSA-N 495.407 1.390 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1301499152 YRJOGWNJBQGTSZ-INIZCTEOSA-N 471.587 1.300 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1301586351 KQADMXZXABFAAI-UHFFFAOYSA-N 475.619 1.737 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1301589697 WJYWSJKXBSQPOH-GUDVDZBRSA-N 486.660 1.424 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1301592926 GUHIRWOLAHDZCF-QGZVFWFLSA-N 459.528 1.329 30 10 JDEE CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1302484260 HSNFCLSHZSXGPM-XMSQKQJNSA-N 460.604 1.989 30 10 JDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCOCC1 1303066320 BLNHQBQGECLDOC-SFHVURJKSA-N 466.608 1.195 30 10 JDEE CN(C)C(=O)Nc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cc1 1314646419 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474.008 1.619 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507915995 IKYPULUPHSIWBF-SFHVURJKSA-N 492.646 1.054 30 10 JDEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1507921334 TVOLZRCBBAOMJT-UXHICEINSA-N 452.559 1.825 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1508136113 RSEUXWZHKQZRNK-AWEZNQCLSA-N 499.391 1.288 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1508141337 MLLYWMZSZYXJTF-HOTGVXAUSA-N 479.632 1.170 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(F)ccc2F)CC1 1508142988 IFWGQPAFSCOOHT-UHFFFAOYSA-N 494.568 1.606 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1508148016 PDEHNWYBXPLRNZ-SFHVURJKSA-N 484.630 1.587 30 10 JDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1508814120 GYXRIDNBMIIBAK-LJQANCHMSA-N 450.547 1.629 30 10 JDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@](C)(O)c1ccco1 1513978017 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C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CC(=O)N(CCOC)C1)[C@H]1CCS(=O)(=O)C1 1588058743 BPZJZUPDWBYLGZ-IRLDBZIGSA-N 499.637 1.299 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1588094300 YJIYGKBZRYFBTB-ZZEZOPTASA-N 482.342 1.645 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2snnc2C)CC1 1588890478 ADKPUMHEDFVJLG-JOCHJYFZSA-N 473.603 1.493 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccnc2OCCOC)CC1 1588914163 YTRQXDWNPSNFFP-UHFFFAOYSA-N 463.542 1.708 30 10 JDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1589089724 WYWGSHJNLIAJMN-UHFFFAOYSA-N 487.611 1.270 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1589579062 JGUVJADELQJJRO-BQJUDKOJSA-N 497.662 1.988 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1593695061 BOTQSZXXSWQEFH-LJQANCHMSA-N 482.589 1.261 30 10 JDEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1593711867 KNZOQFYCVCBAHK-UHFFFAOYSA-N 464.548 1.918 30 10 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C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(OC)c2OC)CC1 1705639256 JWOMKHBCGYRKIX-SFHVURJKSA-N 459.572 1.001 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1705643652 OEOXJBVHRQRDGM-RUZDIDTESA-N 482.585 1.597 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1705664061 IYRAIOHLUCQMLS-JOCHJYFZSA-N 454.604 1.992 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1705693931 MFYGTRVOXOOYNH-RBBKRZOGSA-N 487.649 1.486 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1705725708 NYRHQPBHNITAAW-WIYYLYMNSA-N 465.551 1.424 30 10 JDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1705736204 NSQHCQMXHHFNGC-UHFFFAOYSA-N 473.559 1.268 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1705737416 QNXFXZZGFSOUAW-QGZVFWFLSA-N 477.562 1.765 30 10 JDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705810672 DUUDAPAKYOBBER-SFHVURJKSA-N 452.563 1.634 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1F)C1CC1 1705854954 RSRZTEPBVHOHFA-LJQANCHMSA-N 465.551 1.962 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1705936333 OJAGHJVFPRPAOY-JLHGSKIFSA-N 481.619 1.876 30 10 JDEE CO[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N)c1ccc(F)cc1 1711566019 APPQPTVLIXBKAH-LZQZEXGQSA-N 480.566 1.734 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncccc2C)CC1=O 1712492459 ACMDFWKEVSSTLF-UHFFFAOYSA-N 461.526 1.776 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(C(=O)NCC)c1)[C@H]1CCS(=O)(=O)C1 1722363277 ZWWTZNSBCYUPKL-FQEVSTJZSA-N 480.594 1.708 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722364327 YTQALFRIMAJDDL-SFHVURJKSA-N 480.516 1.938 30 10 JDEE C#CCN(c1nnc(C2CC2)n1CC(F)(F)C1(OC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722369079 VICGORXQRCIROY-MRXNPFEDSA-N 458.531 1.613 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](O)(c1ccccc1)C(F)(F)F 1722373617 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1147495153 NPPULVYWADSLDL-UHFFFAOYSA-N 455.492 1.990 30 10 JDEE C=C[C@H](C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1)c1ccccc1 1152622905 XWXSMNWMUNGZRG-IBGZPJMESA-N 452.554 1.877 30 10 JDEE C=CC(C)(C)CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1184225520 APNPYVBPLNAPDK-UHFFFAOYSA-N 457.618 1.843 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)CC1 1248611325 HUKAKBVFHUIIEX-LJQANCHMSA-N 454.980 1.603 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCCCC2=O)CC1 1286349726 NALFEFUHDOMJFP-LJQANCHMSA-N 478.619 1.006 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286381773 GVGWIMRVWGIGBL-CQSZACIVSA-N 483.392 1.141 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286381871 OTGLIEGXLOHFDF-CQSZACIVSA-N 463.482 1.067 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cccc(OCC(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1286389683 ONVCGPLAKKFWPO-LJQANCHMSA-N 494.577 1.188 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286390442 AWQQSIIGTBRSRX-IBGZPJMESA-N 475.640 1.960 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1286390955 AWTRDYMGGNUAKL-SFHVURJKSA-N 468.576 1.069 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCNC(=O)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1286391648 FHRLCCCNELCNAU-VQTJNVASSA-N 471.583 1.147 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCCCS1(=O)=O 1286415689 LBZBAJLLXQBSKH-XMMPIXPASA-N 494.665 1.683 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@H](CO)O1 1286458150 LGFOGXSFVVXYGV-YZGWKJHDSA-N 462.547 1.499 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2(N3CCOCC3)CC(OCC)C2)CC1 1286487676 XHZVOJQHXRRYAH-UHFFFAOYSA-N 486.661 1.811 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286673639 ZTOKANAFRJPEGC-QGZVFWFLSA-N 487.630 1.603 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(F)cc(OC)c2)C1 1286810633 UHFWEOJCAWVISS-ICSRJNTNSA-N 495.577 1.588 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1286819036 XEUIAINVBUDXSS-SFHVURJKSA-N 489.646 1.443 30 10 JDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286833372 AGNGPSYWKJOCOT-UHFFFAOYSA-N 471.631 1.164 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)CC1 1297515928 FKGGHZKCPZNWJG-UHFFFAOYSA-N 456.593 1.986 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N2CCOCC2)c1 1300331601 MVZBYLXVDQFDDU-UHFFFAOYSA-N 493.612 1.681 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300495053 CDXBVHUJPGFBAC-OTWHNJEPSA-N 495.646 1.912 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1300538022 LCHOPIKIYVOYIN-QURGRASLSA-N 450.449 1.746 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1cccc(C(F)(F)F)n1 1300671538 LEURWUMFVXYUIL-OAHLLOKOSA-N 487.504 1.759 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(O)CC(OCC)C2)CC1 1300689296 TWQBLNIZTOFASI-UHFFFAOYSA-N 473.599 1.034 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1nncn1C 1300876053 RHVAYKHADHVRLJ-VQHPVUNQSA-N 464.596 1.340 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1301510394 WPVZPEGRCJLYAI-HXUWFJFHSA-N 465.602 1.804 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C(=O)NC 1301531394 LHVCLHGPYRVKLH-FUHWJXTLSA-N 461.588 1.612 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1301534474 BJFVSBOEPXYQGD-IRXDYDNUSA-N 495.506 1.970 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1301576630 XHMIFZUACLXVIG-LJQANCHMSA-N 498.627 1.577 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1301577688 NSDNUUHXNREDAI-NRFANRHFSA-N 480.612 1.570 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1301592717 CYQCLQYSGAPIRR-QFIPXVFZSA-N 475.571 1.797 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)OC(C)(C)C1 1301592918 GQZSRKZBFFKELR-HNNXBMFYSA-N 467.617 1.874 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCO[C@H](Cn4cccn4)C3)n2CC(=O)NCC(F)(F)F)cc1 1302991337 FRUKSNVELJUYSD-KRWDZBQOSA-N 474.447 1.597 30 10 JDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cc1 1310555762 CBDBXZLERHJKOW-OXJNMPFZSA-N 455.540 1.748 30 10 JDEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)CCS(C)(=O)=O 1358926840 DQPSUBYELVYWJO-UHFFFAOYSA-N 456.572 1.959 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358958367 MRQOHMDEXDRJGS-HXUWFJFHSA-N 485.610 1.983 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1358959990 UICXNQFBSDMQIZ-INIZCTEOSA-N 475.571 1.067 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOc1ncccc1Cl)[C@H]1CCS(=O)(=O)C1 1358963338 GMACNIUXBURSGU-CVEARBPZSA-N 465.963 1.536 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCCn1cc(CO)nn1 1359015202 LLJCWFBPBIQQFL-UHFFFAOYSA-N 466.521 1.467 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1359029242 RZAHTPAICGCSTH-HSALFYBXSA-N 479.695 1.400 30 10 JDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC2(OCCOC)CCOCC2)CC1 1359037377 HFNXOBSUUTXBDA-UHFFFAOYSA-N 474.631 1.601 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)c2ncc(C)s2)CC1 1359046798 GIMKQXFJRTUFFY-INIZCTEOSA-N 469.615 1.935 30 10 JDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1359120806 DBZCKLQXCLYMRC-OAHLLOKOSA-N 451.549 1.612 30 10 JDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1359123776 LYPFRKUDJRRHIR-WOJBJXKFSA-N 457.623 1.603 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C(=O)OC)C1 1359293342 NRKADKZBGXHPCA-GFCCVEGCSA-N 451.325 1.348 30 10 JDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1359303434 OFGWABALMIYOPN-UHFFFAOYSA-N 461.014 1.804 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1359305091 SQUSNXPXQPUFDJ-MRXNPFEDSA-N 480.491 1.973 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1359333160 PKZUQYGRACSISZ-SFTDATJTSA-N 475.615 1.238 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1359335043 YLLHEOYMDUOYIK-UYAOXDASSA-N 451.637 1.769 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1 1359396260 VRZZIZVOUJKOEQ-FTGFMQHASA-N 493.568 1.749 30 10 JDEE C#CC[C@H](CCOC)NC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1468945844 GIUCIYGEAQQVOX-MRXNPFEDSA-N 453.561 1.585 30 10 JDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1503688750 ATSLVEABRXSOND-UHFFFAOYSA-N 473.603 1.449 30 10 JDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C[C@H](C)O1 1504734259 GLARETLEZKAXIK-UWJYYQICSA-N 489.598 1.794 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1507632006 HWYHSEONCWIHOP-SJORKVTESA-N 497.419 1.806 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1507632455 LPLLVHKVRNJMMR-UXHICEINSA-N 476.624 1.358 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1507632601 NZRMQSFTXVAYJM-NVXWUHKLSA-N 479.509 1.506 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCOCC2)cc1 1507637536 QWRBKFBYYJADRE-UHFFFAOYSA-N 455.522 1.883 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1507641209 ZPMWMLQDLPWXDH-PGRDOPGGSA-N 487.607 1.223 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OC 1507670887 DKPMWTQFRXXKLL-NRFANRHFSA-N 471.583 1.439 30 10 JDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1507846913 BOTZNYXIVHJESA-UHFFFAOYSA-N 473.666 1.988 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ncnn2C(C)(C)C)C1 1508116800 SCKRIWBQRYUHRR-HUUCEWRRSA-N 452.585 1.064 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@](C)(OC)CC2)nnc1[C@@]1(OCC)CCOC1 1508149160 OURPKDUBPWXQEO-NHCUHLMSSA-N 456.609 1.926 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2(C(=O)NCC)CCC2)c1 1539042531 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C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1539874609 HZQYFMRLUCVVNC-GHTZIAJQSA-N 453.609 1.614 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccc(OC)c1)N(C)C 1540074550 ZKDXDFSWIPZQGC-WOJBJXKFSA-N 478.619 1.545 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1540866737 YSRZNWBXRWHQOC-DOTOQJQBSA-N 475.981 1.663 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1540896752 SSWAMSLSUTXPHG-UHFFFAOYSA-N 474.587 1.498 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1540901009 PXQOITMTCSEHLK-JTSKRJEESA-N 462.572 1.939 30 10 JDEE CCN1CCN([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 1547703874 CGOJVFRPAOPSET-DENIHFKCSA-N 469.590 1.620 30 10 JDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(C(C)=O)CC2)CC1 1554556341 BHDMBJPFLYLKOM-UHFFFAOYSA-N 451.531 1.964 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccccc1-n1ccnc1)[C@H]1CCS(=O)(=O)C1 1588024846 NTGJNIIJPPHQIX-IBGZPJMESA-N 481.582 1.277 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(OC)OC)c1)[C@H]1CCS(=O)(=O)C1 1588054926 QEASGRVOCFNTIC-RBUKOAKNSA-N 487.582 1.196 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 1588055499 WOFLAXJMFVAVNH-RTBURBONSA-N 457.556 1.051 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 1588069478 OSPHXJOZRQJHFE-LJQANCHMSA-N 477.537 1.548 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(C)COCCO1 1588214506 UVUAEJHWNTYEFO-QFIPXVFZSA-N 456.572 1.507 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(Cc2ccccc2)c1 1588228722 KVCUNBMIYHZMHF-JOCHJYFZSA-N 462.579 1.936 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)COC)CC1 1589556159 AJUZCSXVRSRNFO-XXBNENTESA-N 454.575 1.977 30 10 JDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1593757673 MGJRORBWXXTSLQ-FQEVSTJZSA-N 453.547 1.623 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C 1595171492 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450.561 1.250 30 10 JDEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CCOCCOC)[C@H]1CCS(=O)(=O)C1 1689982098 HQYBQZWUGUOLIQ-SFHVURJKSA-N 497.415 1.997 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1690047608 VGCUSVUGPOHYFA-HSZRJFAPSA-N 495.649 1.900 30 10 JDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1690052627 NCRXGKWOYVCYHN-LJQANCHMSA-N 463.508 1.866 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCS(=O)(=O)C1 1690104495 YIRQFXSLZZGVGO-MSOLQXFVSA-N 497.618 1.107 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccn(C)n2)CC1 1690154237 LDRQIBKSLVVKHQ-PUZFROQSSA-N 496.616 1.796 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1690669356 BIXQCWCMHILBDR-DLBZAZTESA-N 473.603 1.103 30 10 JDEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NCC)CC1 1690682526 RDSZUWIKJGMIII-UHFFFAOYSA-N 462.558 1.606 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1690726651 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ZZIKSXNHEQHSFP-LJQANCHMSA-N 498.005 1.407 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1749008924 DFZNVVFZDNEMQA-MSOLQXFVSA-N 487.605 1.498 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1749649786 AUXVUPRJYRHQST-UHFFFAOYSA-N 483.548 1.485 30 10 JDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749690924 WQGKLLZHYSTLNN-UHFFFAOYSA-N 471.587 1.763 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC2CCOCC2)CCO1 1750022361 FTUYHEFFWOONJG-QFIPXVFZSA-N 468.558 1.887 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCOc2ccc(Cl)cc2)C1 1750211004 BDLWUGNAPWHMFO-PXNSSMCTSA-N 498.968 1.785 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C)CC1 1751222264 AEWZDETWYGDPDZ-LSDHHAIUSA-N 459.580 1.065 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCC[C@H]1C 1760241822 LAZIWYLELJZSQQ-UIFIKXQLSA-N 491.589 1.815 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)CN2CCCC2)CC1 1760265355 YUYADCGSRVQREN-UHFFFAOYSA-N 469.634 1.602 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)c2ncc(C)s2)CC1 1760268138 DAUUZLOCMZTQHG-PBHICJAKSA-N 455.588 1.764 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1760282308 ZWNNRAQAOVOHMQ-YESZJQIVSA-N 465.576 1.514 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1760519157 UNFCIKMWNUOIJO-UHFFFAOYSA-N 466.546 1.972 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(C(=O)NC)C1 1760532478 WFPUIECHCBWOTM-KSFYIVLOSA-N 476.603 1.464 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1760552946 GZYNKUCPWARLQP-UHFFFAOYSA-N 458.588 1.884 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C(C)(C)C)C1 1760559501 OXWUZCXWUAJCLJ-KSZLIROESA-N 456.609 1.854 30 10 JDEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)no1 1761691129 CIVRRXMIJALSGR-UHFFFAOYSA-N 485.570 1.934 30 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C=CCN=c1nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]c(N2CCN(c3ccccn3)CC2)n1 1871507193 JMCVPYOFLAAOSZ-UHFFFAOYSA-N 467.559 1.004 30 10 JDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc(N(C)C)cc1 1874433269 HYXXAWMLBKEUNP-BHGWPJFGSA-N 455.544 1.864 30 10 JDEE CC(C)(C)OC(=O)N1CC(ONS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2247904121 MFEQAGMBWUJERZ-UHFFFAOYSA-N 460.383 1.877 30 10 JDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@@H]1CC[C@H]1NC(=O)OCc1ccccc1 2255695474 FOMGTHZZCISUOL-IAGOWNOFSA-N 469.351 1.644 30 10 JDEE COC[C@H](CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2256672067 BCIHSYRCJBSZKT-ZDUSSCGKSA-N 455.386 1.988 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H](O)C1 2267376649 ZFPFYYSQXJJKGL-CABCVRRESA-N 488.437 1.696 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NC(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2267536588 KOQSONPQXVFUTR-YPENRWOSSA-N 465.381 1.997 30 10 JDEE C[C@@H]1[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCN1Cc1ccccc1 2267713464 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487.651 1.985 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1(O)CCOCC1 1286453508 ARNFHZSMLYQXRU-QGZVFWFLSA-N 479.578 1.599 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(C)nn(C)c2C)n1 1286472624 ZPQHSDZKRGBJIY-FQEVSTJZSA-N 465.562 1.111 30 10 JDEE C#CCN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCNS(=O)(=O)CC)CC1 1286473139 PIHYUXORFJAGTQ-UHFFFAOYSA-N 456.616 1.443 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCn2cc(CO)nn2)CC1 1286489435 SGGWJDZPQPJXCT-UHFFFAOYSA-N 483.964 1.133 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1286495844 GSLXQRNOMBIWLX-HZPDHXFCSA-N 482.607 1.837 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1286727103 MQFJNUKDHZDPJL-QRWLVFNGSA-N 477.587 1.614 30 10 JDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286776864 ICHKMVQXVDSLKG-HNNXBMFYSA-N 450.590 1.460 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CCOC)CC1 1286780279 SLFFJRJWGGTOEE-UHFFFAOYSA-N 452.357 1.106 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1286787641 HRYKGIHFWKSZDK-GOSISDBHSA-N 493.033 1.458 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1286824229 XOOSSHJSHBUGOG-FDDCHVKYSA-N 487.582 1.714 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H]([C@H]3CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1286825529 SDUJYSLECIHEQD-BBTUJRGHSA-N 454.593 1.394 30 10 JDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1294911513 BCFRBHMUGDSODV-QGZVFWFLSA-N 460.560 1.268 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1299300886 HXNDYHOJUSJCJE-GOSISDBHSA-N 487.630 1.745 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(C)(C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300484559 UELPAZBTRZSXIW-GOSISDBHSA-N 461.588 1.584 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CCC[C@@H]2C)CC1 1300732419 NCCONIGEBKRODU-TYZOXTDXSA-N 459.591 1.519 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)CN3CCOCC3)CC2)nnc1C(C)(C)C 1300895641 ASVXJYCNSMEUJO-PZJWPPBQSA-N 460.623 1.538 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC[C@@H]1C 1301258280 OYCZRWJTMGXBAO-DLBZAZTESA-N 457.597 1.207 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1301502594 LIROVIMXICNHLX-HNNXBMFYSA-N 466.995 1.295 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCNS(C)(=O)=O)C1 1301553267 IRFKVXGXPJRBAS-IBGZPJMESA-N 457.560 1.461 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(O)(c2ccccc2)CC1 1301567586 JYEFLGNSHYDLPR-UHFFFAOYSA-N 473.599 1.603 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(N(C)C)CCOCC1 1358875996 AAZPDMHINFGYLC-GOSISDBHSA-N 474.631 1.764 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(O)cc2)CC1 1358929930 KYQRCNHGWCVFRQ-HXUWFJFHSA-N 474.587 1.057 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(F)(F)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358955324 JYADLCQVOQBPHX-SFHVURJKSA-N 477.537 1.933 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1CCN(C(=O)OC)CC1)[C@H]1CCS(=O)(=O)C1 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C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2csc(C)n2)CC1 1507942171 BVMMPSXCRCQTEH-HNNXBMFYSA-N 453.638 1.942 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1507952885 BRCSVDRUMZNDMP-ROUUACIJSA-N 482.651 1.708 30 10 JDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C)C1CC1 1507992904 KUKBXQSZASZRQR-IEBWSBKVSA-N 464.636 1.278 30 10 JDEE CC(=O)N1CCN(CCn2c(COc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1508272277 GCVCPARAAVIULW-FQEVSTJZSA-N 473.965 1.403 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCN(C)C(=O)OC(C)(C)C 1510184797 AIDUHZGXBSATJW-OAHLLOKOSA-N 469.612 1.885 30 10 JDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCN(C)CC(F)(F)F 1512384137 BPMPTMIQVKLOSC-HNNXBMFYSA-N 465.480 1.890 30 10 JDEE COc1ccc(C[C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1518186896 ASFYZULVPCTDRD-YTQUADARSA-N 489.598 1.805 30 10 JDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C[C@@H]1C 1519227348 FNJODUYYROAGAZ-IBGZPJMESA-N 467.574 1.223 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1539093584 AHVVFLUUIHZBQD-HUUCEWRRSA-N 451.553 1.386 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(SC)CCN(C)CC1 1539250627 PZPRLBVRDBLOEP-UHFFFAOYSA-N 461.599 1.821 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCOC2)CC1 1539446242 AEAWLMVYYCLAEY-DVECYGJZSA-N 474.606 1.299 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C2CCCC2)CC1 1539518126 VUDNUNGICUFOOM-HXUWFJFHSA-N 496.703 1.432 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1539721693 DIAKFWJGZJVZLR-UHFFFAOYSA-N 476.603 1.822 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc([C@H](C)OC)n1)C1CC1 1540109490 QSWPMJXAYGHWAC-YOEHRIQHSA-N 482.632 1.978 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1540870736 VOZILVVLXGPBKP-HXUWFJFHSA-N 456.595 1.619 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1540874208 YECSTQRNQFGSPX-NRFANRHFSA-N 465.602 1.804 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@H](c2ccccc2)C1 1540897237 DVZCCKINEKSMCD-MJGOQNOKSA-N 497.643 1.457 30 10 JDEE CC(=O)N1CCN(c2ccc(C(=O)N(C)C[C@H](O)c3cccc(C#N)c3)cc2[N+](=O)[O-])CC1 1557384282 LVIBUJQMUNJLQN-QFIPXVFZSA-N 451.483 1.941 30 10 JDEE CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)NCCn2cc(C#N)c(O)nc2=O)cc1 1557599788 DNMYXTUFOGIEFD-QGZVFWFLSA-N 455.540 1.450 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(c2ncc(I)cn2)CC1 1564675128 LCUVTTRZOKDJDA-HIFRSBDPSA-N 457.316 1.894 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CCS(=O)(=O)C1 1587574494 IVZXEGCAIIFYJB-XIKOKIGWSA-N 471.352 1.854 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(CS(C)(=O)=O)CC1 1587662944 RXIDNYPEFBHTDZ-NRFANRHFSA-N 484.670 1.926 30 10 JDEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1587831306 LJDWOADMXLEAGH-UHFFFAOYSA-N 489.005 1.960 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCN(C)C1 1588258942 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C#CC[C@H](CCOC)NC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1684299385 HXEXOXVEDNUSRQ-RTBURBONSA-N 450.580 1.916 30 10 JDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(=O)(=O)CC 1689931899 LIZZJSHWVSSJMI-QGZVFWFLSA-N 469.608 1.871 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1689978204 OWDCSPDXHKXEFD-OAHLLOKOSA-N 472.409 1.732 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCC[C@@H](C)C1 1690077591 RWPJYYBFBDDVRM-UXHICEINSA-N 466.652 1.583 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](COC)OC)CC1 1690124806 UZLYCIDEZSWGCF-UXHICEINSA-N 476.622 1.809 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1690138294 YBRHSUUMNWCRQP-IECBHUPTSA-N 459.591 1.711 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1F 1690596882 COSYITLXLJZZCY-LJQANCHMSA-N 465.551 1.985 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1690644341 FUDWXAFZXGTDHP-KRWDZBQOSA-N 450.521 1.384 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H]2OCO[C@@H]2C1 1690715594 OTIJTBJGSORKDH-JCGIZDLHSA-N 452.508 1.720 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1690717877 SSGHXWACDAFQNB-OAQYLSRUSA-N 481.525 1.864 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NC(=O)C(C)C)CC1 1690727255 YLMCPXMRWJXJSF-UHFFFAOYSA-N 499.641 1.858 30 10 JDEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCS(C)(=O)=O)C[C@@H]2C)CC1 1690863675 IEBYYFOQSNEVAX-AVRDEDQJSA-N 499.641 1.240 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(OCC(=O)N(C)C)c1 1705474576 JLPUTXYMRUQJNF-QGZVFWFLSA-N 461.526 1.899 30 10 JDEE C#CCCCn1c(C)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1705525577 NMHIEDAADATOOC-KRWDZBQOSA-N 451.593 1.908 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(Cc2ccccc2)CC1 1705550908 BCEKISRBKGFHQC-JOCHJYFZSA-N 486.642 1.593 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705562212 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C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1722508594 STPICYNTTPHASV-UGKGYDQZSA-N 468.606 1.707 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1722512422 GPFOYCMKQQDCHS-INIZCTEOSA-N 450.503 1.985 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1722523535 YGKIYQZAPOFBMW-LJQANCHMSA-N 492.577 1.175 30 10 JDEE C=C(C)COCCn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1722538327 NQVHRNHZFAZPOK-REWPJTCUSA-N 497.662 1.916 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722624303 ZPGOCFJPRVSWCR-SFHVURJKSA-N 474.587 1.497 30 10 JDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722627909 SSGPPGIERRVSSK-FQEVSTJZSA-N 457.579 1.560 30 10 JDEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCO[C@H]1C 1722681773 SDQBTINJFULMSD-FDDCHVKYSA-N 457.579 1.631 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](COC)C1 1722697656 OCYQCUBGCFFWDG-MRXNPFEDSA-N 461.592 1.403 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1722697983 ARKSVMXASXRIEG-SLFFLAALSA-N 478.663 1.573 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1722706630 VWFVLEQSTNCXJE-UHFFFAOYSA-N 476.516 1.892 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(C)n2)C1 1722719460 UNDIFVFESILIEN-UXHICEINSA-N 476.603 1.338 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1722726443 FKVCWWSETCGYJX-HXUWFJFHSA-N 487.626 1.652 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1722727815 OQKHWWRLECMBIR-KRWDZBQOSA-N 464.592 1.301 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1722729777 WZJLQMHYTVCFOS-UHFFFAOYSA-N 493.655 1.802 30 10 JDEE CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1723235381 GFTUNRBJOFFYIS-HXUWFJFHSA-N 489.598 1.530 30 10 JDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1728207076 BSUNXHWGPLEMHP-UXHICEINSA-N 454.531 1.639 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2c(s1)C[C@H](C)CC2 1740550219 IBWQXZZYSGQVSJ-HLLBOEOZSA-N 478.644 1.699 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC2([S@@](C)=O)CC2)c1 1740564619 SKULTLAIWHWVTC-MGBGTMOVSA-N 468.583 1.368 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740582162 KURZGQBETWNZKS-UHFFFAOYSA-N 465.601 1.234 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)nc(N2CCCC2)c1 1740640327 KTHNYXVNOIVNDV-NRFANRHFSA-N 497.625 1.036 30 10 JDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC2(C1)OCCO2 1740688271 OHZJFQBUOKATNS-QGZVFWFLSA-N 459.572 1.899 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCSCCCO)CC1 1740695057 BVJHZPGBFFPGPL-UHFFFAOYSA-N 481.626 1.546 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCS(=O)(=O)N2CCSCC2)CC1 1740702912 YZCPJZSQUXBTBX-KRWDZBQOSA-N 482.676 1.136 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2cccc(C(N)=O)c2)CC1 1740706385 UGHQXTZOGQAYEV-OAQYLSRUSA-N 464.570 1.480 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(OC)c2)CC1 1740717337 PSNAEHBEDAYJJH-GOSISDBHSA-N 475.640 1.882 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cccn2)CC1 1740752520 XNLDJSMGIAIDRP-HOJAQTOUSA-N 477.635 1.983 30 10 JDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1740867282 DEYDIPZPUMLFSB-UHFFFAOYSA-N 454.579 1.860 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-c1cnn(C)c1 1740899485 CFLTUFQWRYPDCO-FQEVSTJZSA-N 471.587 1.682 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1740963155 BCFRIEYVIADUQJ-OAQYLSRUSA-N 489.374 1.781 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1741002913 NDZCYRPKOGRSEA-SJORKVTESA-N 486.664 1.025 30 10 JDEE CC(C)(CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)C1CC1 1741247238 DCGARRBZFGRFSL-UZLBHIALSA-N 454.572 1.879 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748818766 GAAKXFAEDFFDKJ-RTWAWAEBSA-N 458.632 1.867 30 10 JDEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1748820966 KLOPBJMLDUJBAZ-KRWDZBQOSA-N 475.596 1.022 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1748825965 JSBPGHCCUYPIDJ-LEWJYISDSA-N 483.642 1.172 30 10 JDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCC(=O)N[C@H](C)CC)CC1 1748986713 HXFHJBFIIOCWPF-QGZVFWFLSA-N 462.558 1.654 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1scnc1C 1749037457 CYEAVOMEUNBHPZ-HNNXBMFYSA-N 470.646 1.379 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1749038358 KBVARJRBOFMURL-OXQOHEQNSA-N 454.618 1.321 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1749193509 LSMLZBIPUXHBTC-NRFANRHFSA-N 490.630 1.912 30 10 JDEE C=C(Cl)Cn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@]1(OC(C)C)CCOC1 1749281970 QMMTVUXRYSWMBD-FQEVSTJZSA-N 452.943 1.592 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](OC)[C@H](OC)C1 1749670903 WPOARDWTJLCWFX-KURKYZTESA-N 478.594 1.545 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1749725628 SZOANINYFITKST-INIZCTEOSA-N 485.513 1.099 30 10 JDEE C[C@@]1(C#N)CCCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCNS(C)(=O)=O)C1 1751273560 GDIJLTMDONAQKC-NRFANRHFSA-N 454.560 1.810 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1760191410 GWAALWJMSKRFJI-FQEVSTJZSA-N 459.620 1.251 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC1COC(C)(C)OC1 1760316073 LUETYJBLUMRNCO-NXHRZFHOSA-N 471.624 1.705 30 10 JDEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760347370 UVUCJLYGWNNTMX-UHFFFAOYSA-N 452.559 1.747 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)N1CCOCC1 1760464336 FRHNUEUTZBGBJR-IAGOWNOFSA-N 451.618 1.937 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760516629 RRNAAKRCIFREPI-QRQCRPRQSA-N 458.494 1.890 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(=O)NC(C)C)C1 1760544992 LFNQPABMIXPBRX-QGZVFWFLSA-N 465.558 1.981 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1760553199 OBBJZAUKUZERGS-LJQANCHMSA-N 486.598 1.740 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)nnc1C(C)(C)C 1760558632 VPGILFZCPRQPPU-QGZVFWFLSA-N 452.625 1.759 30 10 JDEE CCN(CC)C(=O)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1766558350 DMFMQWXPWZXRHE-SFHVURJKSA-N 450.609 1.959 30 10 JDEE CN(C)C(=O)CCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1766853332 FDCDRBVGSBHVCM-OAQYLSRUSA-N 477.566 1.506 30 10 JDEE CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1768606792 HSMFNCFGWQTUMX-UHFFFAOYSA-N 460.604 1.656 30 10 JDEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1770428940 CEAJCBTWOHKQCC-QGZVFWFLSA-N 457.604 1.690 30 10 JDEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(O)c(O)c1)c1ccc2c(c1)OCCO2 1862607855 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COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C 2267011706 JPTYXAAYDGPPRI-HNNXBMFYSA-N 450.341 1.610 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@@H]1O 2267135380 BVBGDLHOJARKDB-NFAWXSAZSA-N 450.345 1.103 30 10 JDEE CON(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C)C1CN(C(=O)OC(C)(C)C)C1 2267143973 QAHRDSYNOPNQPJ-UHFFFAOYSA-N 450.345 1.651 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2267184013 KDIMEYCQVFMMJN-HOCLYGCPSA-N 450.341 1.927 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CN(C(=O)OCc2ccccc2)CCO1 2267491803 JDMXXJBLEHLJDX-SFHVURJKSA-N 484.362 1.487 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@](CO)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2267534579 KEWUVRTUVYROGQ-NRFANRHFSA-N 467.397 1.934 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C 2267588519 MYCYDEPBNKBCJQ-QFIPXVFZSA-N 451.373 1.813 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)O1 2268651181 ABEBVWDFQUCTLI-STQMWFEESA-N 468.385 1.612 30 10 JDEE Cc1cccc(C(=O)N2CC(NC(=O)OC(C)(C)C)(C(N)=O)C2)c1B1OC(C)(C)C(C)(C)O1 2282112226 YXZCJMJSTGYKRE-UHFFFAOYSA-N 459.352 1.499 30 10 JDEE CC1(C)OB(c2cncnc2C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)OC1(C)C 2282182219 PUYHLMINGCVCIN-LJQANCHMSA-N 452.364 1.797 30 10 JDEE CC(C)(C)OC(=O)N1CCC(CO)(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282192313 VMXLTDYIADDCIW-UHFFFAOYSA-N 461.368 1.873 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282328815 DACJCSLTFGLXCH-HOCLYGCPSA-N 484.428 1.643 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1[C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]21 2282338245 MAWQSIUURRQMGP-XYPHTWIQSA-N 482.412 1.396 30 10 JDEE COC1(CCNC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2282554050 XTJDQKCKBPLWJE-UHFFFAOYSA-N 464.372 1.475 30 10 JDEE CN1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)OC(C)(C)C)C1 2282555532 UWAMKKXPJOSHBT-HNNXBMFYSA-N 463.388 1.000 30 10 JDEE Cc1cc(C(=O)NC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2282693249 KRACUXCLEHZJGO-UHFFFAOYSA-N 459.352 1.499 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC12CCC2 2282701682 YPZFXYLEXLPFIS-CQSZACIVSA-N 461.372 1.776 30 10 JDEE CCCN(C(=O)OC(C)(C)C)[C@H]1COC[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2283980384 ZIOWBCFYJVYMCT-KGLIPLIRSA-N 482.412 1.860 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 2285199324 XVFZLSASUYTQPQ-IAGOWNOFSA-N 461.368 1.789 30 10 JDEE COC[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2289506005 HNDHWLRCKCKWPD-LSDHHAIUSA-N 464.372 1.711 30 10 JDEE CC(COc1ccc(Cl)cc1Cl)=NNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O 2297638621 CJQACVUJEJELMU-OYUZRVEBSA-N 498.327 1.194 30 10 JDEE CO[C@@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2317604208 XZPPQVBBJKEOFG-AWEZNQCLSA-N 476.426 1.865 30 10 JDEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3N=Cc3cccc(OC)c3O)CC2=O)cc1 2325880696 QVCIGGRKYDYXCP-HNNXBMFYSA-N 496.549 1.981 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)n1C 2337322231 UAOPWFJUGGFJKS-NRFANRHFSA-N 452.361 1.033 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 2362355496 JXSUKZQAKVASHE-JOCHJYFZSA-N 464.372 1.211 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)[C@H](CC(N)=O)C1 2369308019 PEXAAMYRVVMEJR-CQSZACIVSA-N 479.408 1.984 30 10 JDEE CN([C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2369652708 QDEUJGTUQSVKDH-ZIAGYGMSSA-N 488.391 1.297 30 10 JDEE N[C@@H](CC/C(O)=N/[C@@H](CS[C@H]1C=Cc2cccc([N+](=O)[O-])c2[C@@H]1O)/C(O)=N/CC(=O)O)C(=O)O 30728489 FCTXJUPCCZHZHU-MMNXLFCMSA-N 496.498 1.315 30 10 JDEE in-man,metabolite O=C(NCC#Cc1ccc(N2CCNC2=O)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 96351079 KPGIXFRSEOKARK-UHFFFAOYSA-N 452.536 1.782 30 10 JDEE Cc1ccc(NC(=S)NN=C2C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1C 254800459 JMISXQADVHEPBO-UHFFFAOYSA-N 487.607 1.991 30 10 JDEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286341082 BFVQDOAEXYQHRQ-KRWDZBQOSA-N 468.533 1.898 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1286391828 JGHSVEVSVGDGRD-SFTDATJTSA-N 456.616 1.765 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NCCC 1286427643 LEEVRYDGTTXICI-LJQANCHMSA-N 472.590 1.966 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1286481979 LOEJRPZHFADSCU-QHCPKHFHSA-N 479.673 1.906 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2COCCO2)CC1 1286487344 NCDLFFYAUROXGH-LJQANCHMSA-N 454.487 1.235 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)CN2CCOCC2)CC1 1286493830 QGOKJUQEGANVTC-PZJWPPBQSA-N 458.607 1.454 30 10 JDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1286529977 BUWXSLYXAPVYJL-AWEZNQCLSA-N 451.369 1.918 30 10 JDEE C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCS(C)(=O)=O 1286543682 BAQSWFURUKAOOT-UHFFFAOYSA-N 453.366 1.906 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)nnc1[C@]1(OCC)CCOC1 1286793926 PWXXHEBNXVVWJJ-VWLOTQADSA-N 498.632 1.781 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286818186 CXHZXNWBGRBBOG-IBGZPJMESA-N 490.611 1.355 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](CN2CCOCC2)C1 1286821436 KYRJLUAOODEEDT-GOSISDBHSA-N 495.596 1.906 30 10 JDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1286831229 WITPFCZRPAJWAZ-UHFFFAOYSA-N 496.641 1.321 30 10 JDEE C#CC[C@H](CCOC)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1287421644 ZYDSBNGGJCSKSA-LJQANCHMSA-N 450.557 1.809 30 10 JDEE COC(=O)[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1c1ccc(Cl)cc1 1300110260 FVJWRIBJBDBXSG-DLBZAZTESA-N 461.927 1.794 30 10 JDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)COC)CC1 1300412016 PZGNMJDULUMFRB-GOSISDBHSA-N 476.578 1.295 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1300486817 BNKJJRQOQSQENI-RTBURBONSA-N 475.590 1.558 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1300505102 XQWRDHOLSQWYPH-IRXDYDNUSA-N 494.618 1.113 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccn2)CCC1 1300538973 WHMWBZSGJNIWBD-IBGZPJMESA-N 468.583 1.201 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCSC1 1300642335 IQVROXUKDGYDQZ-FOIQADDNSA-N 467.592 1.535 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCOC2CCOCC2)CC1 1300688105 APDOUXDZRGHPCV-UHFFFAOYSA-N 487.626 1.690 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1300719863 TVCADXSMPGTBDI-QFIPXVFZSA-N 492.628 1.249 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCSC2)CC1 1300730900 GINUKNMAZASMOD-QFIPXVFZSA-N 488.639 1.103 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC(C)C)C1 1300761688 DOAOYCAKSVNVSA-ZWKOTPCHSA-N 455.650 1.850 30 10 JDEE C#CCSCCn1c(N2CCN(C(=O)c3ccc(O)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1300778087 LQILRNPIIUOQRO-DEOSSOPVSA-N 485.610 1.965 30 10 JDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCc1ccccn1 1300848656 HGWOLTIRFXPODJ-QGZVFWFLSA-N 499.435 1.984 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccnc2N2CCOCC2)CC1 1301066489 QMXTVIZUYVWCQZ-QGZVFWFLSA-N 461.592 1.325 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NC(C)C 1301340213 WZVKKQICIMRXOB-IBGZPJMESA-N 456.572 1.769 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CCS(=O)(=O)CC1 1301399904 WSFTVMPROWWSMJ-LJQANCHMSA-N 473.599 1.404 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1301436243 WTGBVLIESJILQC-UHFFFAOYSA-N 455.544 1.038 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(c2cnccn2)CC1 1301578063 REPPICWORZPBLC-UHFFFAOYSA-N 457.535 1.802 30 10 JDEE CC(C)N1CCC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 1303301272 FKSRIZVCIHJGAK-GOSISDBHSA-N 451.575 1.719 30 10 JDEE C#C[C@H]1CC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)CC1 1306891790 RISLGTBQBGXZJX-JCNLHEQBSA-N 453.586 1.043 30 10 JDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1358906291 CEGABJQTFLISHW-KRWDZBQOSA-N 479.628 1.622 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1358955529 NQFLBBMDJKYHHL-QGZVFWFLSA-N 499.622 1.814 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1358960467 FKVCOPSMDBNFOB-SFHVURJKSA-N 452.540 1.809 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(CS(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1358964927 KCBZKLIITXJYSQ-LJQANCHMSA-N 494.614 1.460 30 10 JDEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1358967029 BVHGFXWORCGJJO-XXBNENTESA-N 489.667 1.572 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1358968018 XTTGAJLRFJDWQN-GOSISDBHSA-N 463.535 1.149 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2c(CC)nn(C)c2OC)CC1 1359030619 ZPTFNRRTOZWKIA-DEOSSOPVSA-N 471.606 1.427 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCOC(F)F)CC1 1359036314 SSYZCJPCTQHXIP-UHFFFAOYSA-N 460.533 1.837 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(COCC)cc2)CC1 1359045495 JKOWOQOPQZZNTF-JOCHJYFZSA-N 499.637 1.731 30 10 JDEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)NCCOC)CC1 1359117884 AIUKBFHGPSFJIY-UHFFFAOYSA-N 480.411 1.507 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)C(C)C 1359265859 NHFHRXOFMQEBLC-NHCUHLMSSA-N 467.622 1.933 30 10 JDEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(C)CN(C)C1=O 1359280871 HKQDMERXASSZHZ-NRFANRHFSA-N 461.592 1.355 30 10 JDEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC(=O)NCCOC)CC1 1359286958 CQYRKNWIVRKXOU-IBGZPJMESA-N 491.637 1.463 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1359287719 RVBCXXBIKMDOIS-RTBURBONSA-N 463.560 1.384 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(COC)CC1 1359297791 BVXPDHMYJZUFFV-UHFFFAOYSA-N 461.592 1.403 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@]3(CCC(=O)N3)C2)cc1 1359306703 OFIXESRKLULRBP-ZHRRBRCNSA-N 474.587 1.360 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1359333585 CKZISWJWSWHWMW-UHFFFAOYSA-N 472.546 1.265 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn(C)nc1-c1ccccc1 1359466468 BTVZVVNACBDCND-HZPDHXFCSA-N 456.576 1.933 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCC(O)CC1 1359467988 CBQVOLVVIUSGHV-KRWDZBQOSA-N 460.604 1.791 30 10 JDEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1359555022 FHWVIFXOKJRHIV-WMZOPIPTSA-N 494.618 1.556 30 10 JDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CC1 1503762533 HJQMKUAFJLNSBI-OAQYLSRUSA-N 451.575 1.626 30 10 JDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1507627804 UCDNNWZBUVORGM-KJJMTIBFSA-N 472.611 1.987 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCCSC)[C@H]1CCS(=O)(=O)C1 1507640556 SXPBOXQBHSDXPT-SFHVURJKSA-N 450.634 1.910 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(c2ccccc2)C1 1507652468 GMSNOLQHIRJSKK-KITAHSCOSA-N 467.595 1.878 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1507701269 BLMKPILZUQQJJU-MJGOQNOKSA-N 454.506 1.939 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1507701866 BXNCFEKROVBROO-IAGOWNOFSA-N 484.623 1.374 30 10 JDEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)NC[C@H]2C1 1507755529 ATOZQWSMJDYSHF-KRWDZBQOSA-N 456.572 1.836 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1508092567 RIHMLJXRTVLARX-QXAKKESOSA-N 459.572 1.449 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cn3ccccc3n2)C1 1508118042 VZWCBMBJJFZMDK-FUHWJXTLSA-N 459.576 1.560 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCC(OCC(N)=O)CC1 1508136501 SVWPIWXLNOGNPM-UHFFFAOYSA-N 484.582 1.565 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1508136892 WOTUZVLHPKRNFO-SBUREZEXSA-N 492.598 1.947 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOC2=O)C1 1508196461 FIBUAFNMTRXQON-HXUWFJFHSA-N 481.557 1.876 30 10 JDEE CC(=O)N1CCCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1508212874 FTSCNRQTMVORSR-LSDHQDQOSA-N 467.505 1.669 30 10 JDEE CC(C)C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)N(C)C 1509117110 FBBPJYADXCDOIG-LJQANCHMSA-N 460.604 1.940 30 10 JDEE C[C@H]1CCCN(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)C1 1512218697 BKPBDIUBFKSCJU-PKOBYXMFSA-N 465.624 1.083 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539200920 SVTMPXFPPCRQBW-UXHICEINSA-N 471.583 1.529 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1539205182 GDQHFJRAANQXJX-INIZCTEOSA-N 492.403 1.455 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(C(C)(C)O)c2)CC1 1539428599 UHSPLYXPFQQVGN-UHFFFAOYSA-N 459.554 1.956 30 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DEQIGQHTSJORPZ-UHFFFAOYSA-N 459.909 1.662 30 10 JDEE C#CCN(C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1224912869 UZRLSPWDVSJCQJ-SFHVURJKSA-N 453.586 1.193 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1286381313 GBTXGMNFOBTQPQ-QGZVFWFLSA-N 485.570 1.258 30 10 JDEE C#CCN(c1nnc(CC)n1C[C@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCS(=O)(=O)C1 1286390966 BCRFECCVUNKLME-FGZHOGPDSA-N 471.627 1.758 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1286394791 KMKTYYVSYSIULZ-SFHVURJKSA-N 490.655 1.382 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@H]2COCCO2)CC1 1286486869 QPDNDPOFVTXUHX-QFIPXVFZSA-N 494.596 1.919 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2([S@@](C)=O)CCC2)CC1 1286493421 HFKGGCSKDFHFEF-JGCGQSQUSA-N 454.600 1.531 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1286499707 KBDHGFSLDGTSBL-NRFANRHFSA-N 476.628 1.264 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CC(OCC)C1 1286581987 PLGDRXDZVZOOOA-RZFJCUDFSA-N 481.663 1.853 30 10 JDEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](C(N)=O)C1 1286606054 FKBSCWUYPHJEDF-INIZCTEOSA-N 461.592 1.533 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1286628507 CLFVGFWZBIVZGW-LJQANCHMSA-N 498.005 1.943 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286781945 FRDXKIFGRYVNMR-LLVKDONJSA-N 466.365 1.285 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1286791225 VDGJVCMJUTYODZ-AWEZNQCLSA-N 485.536 1.645 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1286808483 WUBGLIPXSWFSRC-QVKFZJNVSA-N 468.526 1.478 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCCCC2)CC1 1286822393 CYAYBMOALPVXSR-UHFFFAOYSA-N 464.636 1.456 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1286832506 LTONEMBWOHODMX-ROUUACIJSA-N 467.661 1.842 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCNC(=O)C1CC1 1288173246 BALFXYOXWZHNIG-IBGZPJMESA-N 451.531 1.392 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1300504774 RUZUVLHIKLBILW-VGOFRKELSA-N 478.546 1.428 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cccc3c2OCCCO3)CC1 1300683473 ODAVNAIGHFQQMB-LJQANCHMSA-N 455.559 1.967 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1300706981 VFOVUUFSLDCRLG-NRFANRHFSA-N 478.576 1.378 30 10 JDEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1300734643 ZMHWUYHFUOSKOQ-QGZVFWFLSA-N 482.031 1.851 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CCC2)C1 1300877283 XAXWCTHQGOQUGX-BZSNNMDCSA-N 453.609 1.876 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1301340989 GYMONXDINQWESU-DEOSSOPVSA-N 478.578 1.878 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301490452 UCBQJTPIFPDEFE-MLGOLLRUSA-N 468.341 1.914 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C(N)=O)C1 1301500530 NFHPAVRMSHPPAT-INIZCTEOSA-N 461.567 1.006 30 10 JDEE CN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1314700896 HXWLJZYPALCFFH-GOSISDBHSA-N 456.503 1.934 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1cc(Br)cn1 1358872476 VHKXZQWLNNWQMK-CHWSQXEVSA-N 458.386 1.396 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(OC)CCOC1 1358895278 GNZQLZJDYAYFQV-PXDATVDWSA-N 452.603 1.906 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1358960153 YJPZJWDKVAUIGN-SFHVURJKSA-N 459.572 1.641 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(I)cc1 1358977071 BQMSVEGJLASYBR-MRXNPFEDSA-N 459.291 1.955 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCS(=O)(=O)C1 1358991617 JGFTVDCRXJOJGN-KRWDZBQOSA-N 474.612 1.136 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCC(=O)N2)CC1 1359032453 OUBLCWSBNSIYTN-OAHLLOKOSA-N 461.339 1.881 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCCC2=O)CC1 1359039003 SOSFOEWUHZDSQA-UHFFFAOYSA-N 461.570 1.887 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccn(CC)c2=O)CC1 1359042297 ZXSZBBMFWWDRBS-VWLOTQADSA-N 482.585 1.126 30 10 JDEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1359087455 GPWWWRCWLMVFFV-OAHLLOKOSA-N 454.300 1.856 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)NC)CC1)C(C)C 1359266104 SVIAXBLOIPKLLR-HXUWFJFHSA-N 455.611 1.839 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)O[C@H](COC)C1 1359301394 YBVMARAPIWDBGY-HKUYNNGSSA-N 492.621 1.935 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1359314983 LWDSSSUPZGAGIK-GBESFXJTSA-N 462.572 1.670 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)OC[C@@H]2C1 1359329672 QMAZKJGTMBCXJN-AWEZNQCLSA-N 469.926 1.979 30 10 JDEE COc1ccc(Br)c(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NC(C)C)c1 1504139330 DCNGTQWASXFPQB-AWEZNQCLSA-N 463.336 1.970 30 10 JDEE C#CCCCCn1c(CC)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1507569140 WTCPKOLLUWXJTK-ZACQAIPSSA-N 451.593 1.771 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1507622791 LZKTWMUOBAOMIL-OAQYLSRUSA-N 495.609 1.979 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1507637388 APFAURKHGYKBPQ-HOTGVXAUSA-N 454.499 1.607 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1507732366 UTWXMVYGEUGLKM-MOPGFXCFSA-N 473.599 1.412 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(=O)NC(C)C)CC1 1507733067 NUAPNMSYZSXURQ-SFHVURJKSA-N 459.595 1.630 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCOCC2)CC1 1507844973 UIWQAVHKSOKGCE-HXUWFJFHSA-N 467.636 1.322 30 10 JDEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1507953450 GDDVNGCLJLCTAM-KRWDZBQOSA-N 484.623 1.634 30 10 JDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1507967472 KAZZEISKTHGTRB-KSEOMHKRSA-N 460.623 1.754 30 10 JDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)c(F)c1 1507968781 ZOIUCZSRKDDVSG-HNNXBMFYSA-N 452.556 1.535 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS[C@H](CC)C1 1508079833 DPOGKKWTBLFHLL-OAHLLOKOSA-N 463.633 1.872 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1508094586 OZDYFVNALKRGPR-QGZVFWFLSA-N 491.531 1.675 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1508132102 UYVPRIRISYQNLP-HIFRSBDPSA-N 481.591 1.361 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(N2CCCC2=O)c1 1510188521 CXEYWMCDJBVNHM-BTYIYWSLSA-N 475.550 1.505 30 10 JDEE CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC1 1515036533 DMAWDHXBISCADF-UHFFFAOYSA-N 465.558 1.418 30 10 JDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)CC#N 1517426925 FNXLTRGGUSVYLE-HNNXBMFYSA-N 461.592 1.706 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1539204465 AHPPAOSCDNQOCD-SIKLNZKXSA-N 476.603 1.232 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1539205241 GHOVZKIRGDDRDO-GJZGRUSLSA-N 484.376 1.078 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1539212817 YARKMKJXVCSGHP-KRWDZBQOSA-N 454.556 1.671 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](SC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539229323 BMHFGLLESQEXFA-IAGOWNOFSA-N 467.661 1.805 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 1539229748 HQLYNPARLRKSSG-OAHLLOKOSA-N 482.031 1.985 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC=C)cc1 1539264995 BPJXXBNMGKFYBG-OAQYLSRUSA-N 469.567 1.297 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCNC(=O)c2occc2C)CC1 1539477675 VLACKHDYSKZJBW-UHFFFAOYSA-N 478.557 1.366 30 10 JDEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC(=O)N1CCOCC1 1539793480 GAFYECUIQIPDOG-UHFFFAOYSA-N 467.983 1.286 30 10 JDEE C[C@H](CC(=O)NCc1ccccc1N1CCN(C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1565674124 DYEQHTBLHRMFGP-QGZVFWFLSA-N 455.584 1.572 30 10 JDEE C#CCCCn1c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1587893867 JPSHBMNCZXDMJW-BWKNWUBXSA-N 466.586 1.692 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1588034103 BBLQXTWGZREBDV-YLJYHZDGSA-N 472.571 1.822 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCOCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1588034355 DOKXLBUQZJHCDS-LJQANCHMSA-N 466.007 1.803 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588040775 QIWCOPVISQCCLW-GOSISDBHSA-N 483.598 1.975 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1588140052 SPHVNMVEZNCTRJ-FXAWDEMLSA-N 455.540 1.145 30 10 JDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1588458246 DXSQCYWKIXRGKB-IWFBPKFRSA-N 459.570 1.808 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCSCC=C)CC1 1588762309 GNALXXRLAUEVOT-UHFFFAOYSA-N 474.656 1.870 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCOCC(=C)C)CC1 1588923545 DAXILSQTJTTYDT-UHFFFAOYSA-N 489.580 1.751 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2nnn(C)n2)CC1 1588961511 BKIGLNGWKSFZPT-UHFFFAOYSA-N 469.937 1.048 30 10 JDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1593625282 OWYDEBUZLNCUSM-UHFFFAOYSA-N 450.565 1.832 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)CC1 1594813170 PRSDJRRSDZEALQ-HNNXBMFYSA-N 451.515 1.457 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1595292074 UHQGHPVQWSHSDB-QGZVFWFLSA-N 486.598 1.656 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1595529735 FRLAXORELDOJCS-UHFFFAOYSA-N 469.571 1.446 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1595784058 AWLBMKRYLIYGJP-UHFFFAOYSA-N 494.625 1.863 30 10 JDEE C=C1C[C@@]23CC[C@H]4[C@](C)(C(=O)O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CCC[C@]4(C)[C@@H]2CC[C@]1(O)C3 1616057569 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SCIXDQQSDUQIHV-UHFFFAOYSA-N 465.558 1.583 30 10 JDEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCO[C@H]1C)C1CC1 1690539616 GLIUIQFRQHKIRZ-KSFYIVLOSA-N 461.588 1.890 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)nc1OC)C1CC1 1690545608 VEFGJKZLHIFKKN-QGZVFWFLSA-N 478.575 1.226 30 10 JDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1690627708 UWBQHRSJNNILHR-UHFFFAOYSA-N 466.590 1.928 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690632533 BEMNZBTWQGOKCV-MRXNPFEDSA-N 482.632 1.147 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1690632600 FGUMLEMTGIYKMQ-JOCHJYFZSA-N 471.587 1.867 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(Cc2cc(C)no2)CC1 1690677162 PYGDCTWOMKXPNH-UHFFFAOYSA-N 469.521 1.917 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CCS(=O)(=O)C1 1690995001 BDBUKEDIWUTUIA-KZULUSFZSA-N 486.367 1.992 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCc1cnn(C)n1 1692537935 CVVBKMWYSRDQAE-UHFFFAOYSA-N 476.589 1.371 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1705560629 IYUNKSAEKZGEOC-SFHVURJKSA-N 454.556 1.671 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1705562081 YJNXVTNPHBGZNA-FHWLQOOXSA-N 492.573 1.989 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705569185 DKAPRGROLXCZNE-KRWDZBQOSA-N 470.521 1.385 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cccc(C)n1 1705597865 SVYPCECQROBDLS-NRFANRHFSA-N 470.599 1.410 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1705649523 AXVXAIZCBRDAST-KRWDZBQOSA-N 473.574 1.409 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(C(=O)NC)c2)CC1 1705650488 RRBFUQYFTZFGPR-UHFFFAOYSA-N 471.565 1.638 30 10 JDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705813610 NMMDKKIBMRXMFL-UHFFFAOYSA-N 471.591 1.747 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(F)ccc(F)c2C1 1705902753 JGTVZJVXDQWKAJ-ZDUSSCGKSA-N 451.499 1.323 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1705902955 NHSYRMNACOEJGK-SJORKVTESA-N 464.567 1.552 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](C)(C(=O)NC)C2)cc1 1705909585 AYKCYDRGFPHZEB-OPAMFIHVSA-N 476.603 1.464 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2COCCO2)C1 1705924140 BHXVUVZVUFMFPT-OTWHNJEPSA-N 479.578 1.783 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2OCC)C1 1705926037 XMEWLLYNGVMETA-PZJWPPBQSA-N 491.614 1.839 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C(=O)NC)C1 1705933248 ZALOKHDIPCJDCR-INIZCTEOSA-N 498.403 1.260 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1705933747 QNMUSGGNOPEEDH-INIZCTEOSA-N 453.952 1.151 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCC2CC2)C1 1705936683 WMHIKDOFBGFMAW-QZTJIDSGSA-N 472.633 1.176 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(c2nc(C)no2)CC1 1705937159 KPXUKESQLKYVFO-UHFFFAOYSA-N 457.560 1.940 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1705966018 XIOSHKUZZCGVBO-KGNHYALCSA-N 478.557 1.095 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722283775 UJTHAHQVQZANPN-NQIIRXRSSA-N 476.589 1.321 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cnn(CC)c2)CC1 1722333499 WMODSPUUPLZKKZ-HXUWFJFHSA-N 475.619 1.625 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722361517 NURQMVXXWYWCQA-YDHSSHFGSA-N 471.631 1.872 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1722370516 BYDYZMKEMVBUFT-LJQANCHMSA-N 487.582 1.635 30 10 JDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(CS(C)(=O)=O)CC1 1722409644 DUTHECQYJPJSEJ-UHFFFAOYSA-N 464.617 1.523 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCc2ccccc2C1 1722414147 WJWIYNDSFIHOAK-KNQAVFIVSA-N 486.642 1.517 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2Cc2ncn(C)n2)CC1 1722442618 WKMOHHKSVCDVTI-UHFFFAOYSA-N 471.363 1.552 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1722503438 KZZJRIUCLASCNU-GCJKJVERSA-N 491.614 1.929 30 10 JDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1722686182 RFXGHDMRIUFDOX-VQHPVUNQSA-N 467.592 1.485 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1722721188 FKNMVWSHGMNIHE-KNQAVFIVSA-N 478.571 1.197 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1722725645 QEFBTOCYEYJROH-OAQYLSRUSA-N 473.647 1.546 30 10 JDEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1729690816 BVDCGCPBTOKYNS-UHFFFAOYSA-N 465.558 1.451 30 10 JDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)CN2CCOCC2)C[C@H]1C 1730788317 FHIUKWVBKIBXEC-LEWJYISDSA-N 467.618 1.942 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(N(C)C)CCSC2)c1 1740563284 RTZHVCWHBPHESO-DVECYGJZSA-N 481.626 1.723 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1740592436 XRCJWTGIGBQLTP-OAHLLOKOSA-N 461.510 1.489 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 1740615406 DAJMQKGDFMMCOD-HXUWFJFHSA-N 457.600 1.903 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(O)CCO[C@H]2C)CC1 1740704027 IOENIGAAPHGGSC-SSOJOUAXSA-N 483.569 1.468 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Br 1740731511 CRWQJUYTVGTIFF-RHSMWYFYSA-N 458.382 1.512 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ncc(CC)s2)CC1 1740825550 PGJXOKIWFKRRQT-INIZCTEOSA-N 452.606 1.835 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740864075 JHKVBNGTYKPDGO-IAGOWNOFSA-N 459.638 1.302 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1740946659 FRSRVQOKJRYMTB-SFHVURJKSA-N 495.005 1.299 30 10 JDEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)[C@H]2CCS(=O)(=O)C2)cc1 1740967599 LIAZDDYEYHBHAI-SFHVURJKSA-N 459.572 1.637 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(N)=O)C1 1740969045 JNRGAFPUNVJNMD-QZTJIDSGSA-N 459.572 1.495 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2ccnn2)CC1 1740988446 DZRYSDVLDJKBKO-UHFFFAOYSA-N 466.571 1.926 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccnc1OCC(F)(F)F 1741942847 BJHXWGVRUNIEPH-TZMCWYRMSA-N 489.480 1.001 30 10 JDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@](C)(O)c1ccccc1 1747186623 AYQIVLCDNNCDPL-XMMPIXPASA-N 464.574 1.963 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(O)CCCC2)c1 1748692540 ZRHKTJDMVGMBDK-MRXNPFEDSA-N 474.587 1.250 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CCC(=O)N2CCOCC2)c1 1748692991 UUZRDVNWVKPNHK-UHFFFAOYSA-N 450.543 1.851 30 10 JDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](COC)C1 1748702672 AJBVWTVJHILKTE-LJQANCHMSA-N 461.588 1.851 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1748751479 IBQGVHPCCCEEIM-FQEVSTJZSA-N 455.584 1.485 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1748812328 SQFUWQGNQQKQRJ-FQEVSTJZSA-N 468.583 1.947 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1748814263 BXMVNBMRDXVVAC-GBESFXJTSA-N 475.546 1.383 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1748815868 UPQQBNWZRVUBTG-SFTDATJTSA-N 486.642 1.632 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1748819134 LHHOXWYHRXLYQJ-IBGZPJMESA-N 456.597 1.898 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1748823716 AIYISSCONUIFAW-OAHLLOKOSA-N 476.559 1.831 30 10 JDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CCC[C@@H]1CO 1748901246 UQNCDNIRNOYCFX-XMMPIXPASA-N 474.609 1.868 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(C(N)=O)CCCC2)CC1 1748973041 VPRYSRDJUHNDGD-UHFFFAOYSA-N 484.004 1.662 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cn(CCCC)nc2C)CC1 1749001214 MHJKGDHNHJHWOX-UHFFFAOYSA-N 480.617 1.833 30 10 JDEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](COC)C1 1749089888 HQCNNJDNIZOWJZ-INIZCTEOSA-N 461.324 1.681 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1749175673 MCONZJNZRBTPSZ-UHFFFAOYSA-N 453.590 1.443 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1749215755 DNPATGMQUSKOFV-IBGZPJMESA-N 490.630 1.751 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCN(C(C)=O)CC1 1749531664 KYQPHZGUCINYEX-QFIPXVFZSA-N 476.585 1.458 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1749609131 BMKFYFOITPGWFH-FXAWDEMLSA-N 460.604 1.538 30 10 JDEE C=CCOc1ccccc1Cn1c(N2CCS(=O)(=O)CC2)nnc1[C@@]1(OCC)CCOC1 1749690196 SOTWMHJHSNJMAK-JOCHJYFZSA-N 462.572 1.778 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC)C(=O)C1 1749690330 QKOBXAWUQCPHHR-LJQANCHMSA-N 473.599 1.852 30 10 JDEE CC(C)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1750901443 HFIRBZSKUIWGBS-UHFFFAOYSA-N 472.615 1.677 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC(=O)N(C)C1CCCCC1 1751211138 FBMGIDSXNJZKQQ-MRXNPFEDSA-N 465.624 1.809 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CC3(C(N)=O)CCCC3)CC2)c1C#N 1751827582 HUKKVHKDXRAMGO-UHFFFAOYSA-N 453.595 1.763 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2ccc(N(C)C)nc2)c1 1760126999 OFCLRCSBPQSUJX-UHFFFAOYSA-N 474.569 1.982 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](OC)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1760191477 IHJMEFPACRJSSB-KSZLIROESA-N 451.593 1.088 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1ccn(C)n1 1760196611 KFFYBZPBWXCYJE-UHFFFAOYSA-N 451.556 1.244 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccc(F)c(F)c2)CC1 1760268840 QHWVLWRGPYGYNJ-LJQANCHMSA-N 472.496 1.552 30 10 JDEE C#CCSCCn1c(COCC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1760286261 GJIYIUWORPCISQ-UHFFFAOYSA-N 467.592 1.831 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1760345998 CCXDCXHMFJNIBI-MAUKXSAKSA-N 481.541 1.717 30 10 JDEE C=CCCOCCn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760453558 ZVTVYUYIQOFEJH-FGTMMUONSA-N 475.594 1.855 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1760517192 GBNIXGIXYZUWFL-UHFFFAOYSA-N 478.557 1.690 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)=C(Br)C1 1760521708 BIFNSYKMFLNQCR-CYBMUJFWSA-N 458.382 1.361 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1760521906 HFUBWIVYIIABCG-CRAIPNDOSA-N 463.560 1.352 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1760555358 DJWHHBKIJSZTSJ-OAQYLSRUSA-N 497.625 1.414 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(C3CCC3)C[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1760558325 MCSLMYVGFCQHHP-CVDCTZTESA-N 481.663 1.842 30 10 JDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1768444594 CYIKLSOZICTAJH-UHFFFAOYSA-N 459.576 1.155 30 10 JDEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(CCc1ccc(OC)cc1)C2=O 1861515663 VTKKMPFLTYEQQK-PGRDOPGGSA-N 477.517 1.412 30 10 JDEE C=CCN(CC=C)C(=O)[C@H](CC)NC(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 1868642232 LNZONQRTCWJDJM-OALUTQOASA-N 468.597 1.356 30 10 JDEE CCN(CCO)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccc(S(N)(=O)=O)cc1 1870349651 WSOKGOVOWBOLMW-UHFFFAOYSA-N 496.589 1.809 30 10 JDEE C=CCn1cc(OCC(=O)NC)c(=O)cc1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 1870568511 YHTHBKXOJFXYGK-UHFFFAOYSA-N 454.527 1.206 30 10 JDEE CN(CC1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1)c1ncccc1C#N 1891158812 TZFXBFDXMHRTKA-UHFFFAOYSA-N 453.524 1.473 30 10 JDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H](O)C1(C)C 2193529708 ZRPCCIGOXOKVAO-JLCFBVMHSA-N 462.356 1.769 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256619347 YNJDKHVJRYEPIL-STQMWFEESA-N 453.370 1.429 30 10 JDEE Cc1nn(C)c(C(=O)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 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C[C@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)[C@@H]1CNC(=O)OC(C)(C)C 2282175816 YRGJWNQZHMXFTR-LSDHHAIUSA-N 463.388 1.880 30 10 JDEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282180433 SRLMDNZXICXGRV-HUUCEWRRSA-N 463.388 1.880 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282349073 UHLOOYDMSGQJMD-IVZQSRNASA-N 479.408 1.916 30 10 JDEE Cc1c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593728 UTXXTEMEMZKJBL-GJZGRUSLSA-N 464.372 1.128 30 10 JDEE CN(C[C@@H](O)CN(C)S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2282863823 XAGZZQHAOVLMJO-QGZVFWFLSA-N 484.424 1.834 30 10 JDEE C[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2282864855 LYGCOERSAZCRQG-HUUCEWRRSA-N 484.428 1.643 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283057163 SNOJFQYQRWNFOQ-HUUCEWRRSA-N 462.356 1.124 30 10 JDEE CN(C(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2360517438 QIPDRMVHNRNPHX-QGZVFWFLSA-N 482.408 1.887 30 10 JDEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2362339182 WPARAXDKHWPGBQ-IBGZPJMESA-N 453.396 1.265 30 10 JDEE Cn1c(=O)c2c(nc(Sc3n[nH]c(N/N=C/c4cccc(Cl)c4Cl)n3)n2C)n(C)c1=O 21078428 WSWRNULKHMPTCZ-IFRROFPPSA-N 480.341 1.993 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1 32275044 CAQYGVDGOWUCLG-UHFFFAOYSA-N 477.403 1.748 30 10 JDEE COCCN(CC(N)=NO)C(=O)c1cc(I)ccc1Br 316987451 LAOQAVKMQXBRAJ-UHFFFAOYSA-N 456.078 1.889 30 10 JDEE C#CCN(C(=O)COc1c(Br)cc(C#N)cc1OCC)[C@H]1CCS(=O)(=O)C1 729334960 XIEWWDJQIKVQBW-AWEZNQCLSA-N 455.330 1.747 30 10 JDEE CS(=O)(=O)OCCOCCOCCOCCOCCOCCOCCOCc1ccccc1 888087193 JZHQTKNPHOVOEO-UHFFFAOYSA-N 494.603 1.279 30 10 JDEE CC(C)NC(=O)CN1CCN(C(=O)CSc2n[nH]c(NN=Cc3ccccc3Cl)n2)CC1 1084088930 HLGBJBDWUWOIEE-UHFFFAOYSA-N 479.010 1.665 30 10 JDEE 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485.614 1.591 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1286472767 KMUUPMLWFOYXME-RLWLMLJZSA-N 498.603 1.557 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCOC[C@H]2CCOC2)CC1 1286490342 QHENQQVVRGAROZ-GOSISDBHSA-N 455.563 1.088 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1286496842 WTLOIXMYQJHKAM-INIZCTEOSA-N 496.684 1.669 30 10 JDEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286510486 UKVVOPQCBAXYNU-SFHVURJKSA-N 472.546 1.835 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CN1CCCC1 1286521678 BSGQPFLQADLEMW-NNMXDRDESA-N 464.636 1.335 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(S(C)(=O)=O)CC1 1286554875 ZOBBGTBCIYUXPT-HKUYNNGSSA-N 476.559 1.916 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCCS(C)(=O)=O 1286555091 JRZLIDKSQWKKGU-ZACQAIPSSA-N 460.622 1.032 30 10 JDEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](NC(C)=O)C1 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C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2CCOC[C@@H]2C1 1540898609 PEJFVRWWAKJBSU-KRWDZBQOSA-N 483.541 1.668 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1540899821 BEPFYQYJFUDXFH-QGZVFWFLSA-N 461.544 1.682 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1540904719 PLCPKXOBUJSQEX-AEFFLSMTSA-N 461.563 1.571 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCC(=O)NC1CC1 1541680860 FYLBQCMRJIROST-FQEVSTJZSA-N 465.558 1.925 30 10 JDEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)COC)CC1 1545691562 DKICVPZBDRZBHO-QGZVFWFLSA-N 467.574 1.853 30 10 JDEE CCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1548056947 FZLAZQTZTCGKGK-HXUWFJFHSA-N 474.587 1.770 30 10 JDEE CN(C)C(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1S(=O)(=O)c1cccnc1 1548375879 ZDRFVVFAAFAFBL-GOSISDBHSA-N 467.473 1.940 30 10 JDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN2CCOCC2)C1 1554399225 IDXUGJZXCDWUBL-MHECFPHRSA-N 451.575 1.747 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(OC)nc2)CC1=O 1555596982 FMMSRORFSNAWHX-UHFFFAOYSA-N 477.525 1.476 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C2OCCO2)c1 1587639000 IRHWOSLVRCTINI-QFBILLFUSA-N 475.571 1.163 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CCC[C@@H]2C)c1 1587693300 RCKYLDUSFJRWRT-UXSWERMXSA-N 450.543 1.837 30 10 JDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1587851043 BQIRRJTUVGRCGX-SFHVURJKSA-N 458.998 1.914 30 10 JDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)N1CCSCC1 1587958349 QHVXOVURGMCELM-UHFFFAOYSA-N 463.585 1.164 30 10 JDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCC[C@@H]1NC(=O)NC1=O)[C@@H]1CCS(=O)(=O)C1 1588034284 CPFFUMNSZHMZHS-AABGKKOBSA-N 498.609 1.435 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588045730 PNFJSYBUHWHURF-UFYCRDLUSA-N 486.642 1.855 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588074121 JOYRUEFXXLLOLC-LWYYNNOASA-N 479.647 1.644 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N1CCCC1 1588083208 CAQNJYPCYMOZLL-ROUUACIJSA-N 460.629 1.860 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1588229606 YYPZKQHUMONJPJ-SFHVURJKSA-N 460.581 1.095 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(=O)NCC(F)F)CC1 1588768911 MKZJLVUNDPKBJQ-UHFFFAOYSA-N 467.318 1.844 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1589110408 UVQMQVXSFNSWGO-UHFFFAOYSA-N 458.632 1.996 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCOC[C@H]2C1 1593712165 UELSAIQZLZARHY-HXUWFJFHSA-N 490.630 1.309 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncc(F)cn2)CC1 1593747301 UEFOBNZKOMDTDM-MRXNPFEDSA-N 465.555 1.029 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2ccccc2OC)CC1 1595405287 HJJMCCJZKNMCMO-HXUWFJFHSA-N 476.603 1.128 30 10 JDEE C#CCN(CC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1)C(=O)OC(C)(C)C 1595574922 VVQCODGLNWDLPC-UHFFFAOYSA-N 453.536 1.965 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1595576953 DEDNMAGMKNQBMB-UHFFFAOYSA-N 488.618 1.156 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN(C)C(=O)C1 1595577519 VSOUQYYVYPVLEG-UHFFFAOYSA-N 463.336 1.200 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(C(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1595830775 GQXCMWYTIVJJDV-NRFANRHFSA-N 455.625 1.450 30 10 JDEE CCO[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)C1CCCC1 1616098436 BJISFLKBHMTVGK-CEXWTWQISA-N 451.593 1.894 30 10 JDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2c(Cl)nc3ccc(Br)cn23)CC1 1622067511 QRUUWAKMVDNBEV-UHFFFAOYSA-N 459.753 1.900 30 10 JDEE C=CCCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1)C(=O)OC 1644820222 XYZHNNZOLYFUCN-IBGZPJMESA-N 451.545 1.167 30 10 JDEE COc1ccc(CNC(C)=O)cc1S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1662687188 GPYOPCYLWNSBHO-HZPDHXFCSA-N 452.533 1.369 30 10 JDEE C=CCN(C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)[C@@H]1CCS(=O)(=O)C1 1667564662 IJJMMDLFCDQNBA-AXNLMSORSA-N 454.574 1.706 30 10 JDEE C#CCN(C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 1677528004 PNPXLHLMHHMIIQ-NVXWUHKLSA-N 455.483 1.615 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(S(=O)(=O)NC)c1 1689857112 ZGGXMJPAMPOECS-QGZVFWFLSA-N 463.567 1.931 30 10 JDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1689873386 GNOVPNCEJBWYJG-UHFFFAOYSA-N 451.575 1.981 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1689978270 QXYUXAOSIWYMQC-IBGZPJMESA-N 482.541 1.934 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1689981794 BHKFTRSVVKJAMX-QGZVFWFLSA-N 489.579 1.320 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689987955 GJEAOBQPHRQBJT-NRSPTQNISA-N 498.653 1.985 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1(S(C)(=O)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1689993228 YJPPOIAOLGNYAI-SFHVURJKSA-N 494.614 1.602 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CCS(=O)(=O)CC1 1690030045 NLGOHJNZYLVBMY-HDICACEKSA-N 491.614 1.061 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1690134930 LIVNJKQKBCIBAW-UHFFFAOYSA-N 499.616 1.347 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2(COC)CCCCC2)CC1 1690150721 RWJFGQXRLQUPJP-UHFFFAOYSA-N 470.618 1.963 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1690236741 QOUMXQSWCBJVOJ-AZUAARDMSA-N 477.635 1.936 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1690245001 BMOUAIXCSNHBPU-KPFFTGBYSA-N 480.635 1.461 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1690644282 BPJQIPWFSWLLRE-ZWKOTPCHSA-N 498.650 1.880 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1690644478 NMNBORBUJQJODI-IBGZPJMESA-N 480.635 1.416 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(C)=O)C1 1690669072 SPVUENCKLDJYFP-GOSISDBHSA-N 492.584 1.472 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CNS(C)(=O)=O)CC1 1690672493 UBRPCZOGWUFCJU-UHFFFAOYSA-N 482.557 1.215 30 10 JDEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690744329 MXQLVZOLWHJUCR-KRWDZBQOSA-N 450.609 1.612 30 10 JDEE CC(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1691591824 HKOUXBLFNWCTQC-ULQDDVLXSA-N 482.607 1.458 30 10 JDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(SC)CCN(C)CC2)CC1 1697705729 DVQFPLABULHKPV-UHFFFAOYSA-N 483.642 1.939 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cccs1 1705495349 OOXCPGQTDHNSLC-YZVOILCLSA-N 453.590 1.038 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC(C)(C)C(=O)NC)c1 1705504438 WPPDNBRQXPKTSW-UHFFFAOYSA-N 453.547 1.245 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CCS(C)(=O)=O 1705534732 QANYWBGTDXPJDP-KRWDZBQOSA-N 469.608 1.871 30 10 JDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCO[C@@H](C)C1 1705550698 STWJIAABZFHZHM-SFHVURJKSA-N 459.620 1.809 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1705568778 VBOFLPYJLWFUPX-QGZVFWFLSA-N 463.535 1.101 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(S(C)(=O)=O)CCCC1 1705593363 PBUPBSJHVDBCIJ-UHFFFAOYSA-N 478.582 1.741 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@H]2CC(F)(F)CO2)n1 1705631335 AWAOILWYZHZYSQ-FUHWJXTLSA-N 450.490 1.689 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCCCC2)CC1 1705645148 MHFQWICMTDAGRR-DEOSSOPVSA-N 458.607 1.382 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCN(C)CC(F)(F)F)CC1 1705649554 AVRMCJRORKPSGA-UHFFFAOYSA-N 463.508 1.724 30 10 JDEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1705889575 JXWVSDZKSROWGZ-UHFFFAOYSA-N 487.586 1.657 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3cccc(C#N)c3)C2)nnc1[C@]1(OCC)CCOC1 1705909375 VGABHWMWIXNXDM-YKSBVNFPSA-N 466.542 1.682 30 10 JDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCOC[C@H]2C1 1705942633 YXNUIESLCRSCGH-LJQANCHMSA-N 492.671 1.635 30 10 JDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC1CCN(CCN(C)C)CC1 1707954903 AXDJCRKTMHUTCC-HXUWFJFHSA-N 494.644 1.669 30 10 JDEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1710564813 GJJHYOQBFYGORO-JTSKRJEESA-N 492.577 1.979 30 10 JDEE CN(C)C(=O)CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C#N)C1 1710978314 HGSMKWYOGBDNNO-GOSISDBHSA-N 475.594 1.990 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)Cc2ccccc2)C1 1712874736 AVVANWGGLQFXOO-QFIPXVFZSA-N 483.529 1.982 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(COC)c1)[C@@H]1CCS(=O)(=O)C1 1722359380 SLFIQDITPNNEKE-HXUWFJFHSA-N 471.583 1.336 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CC[C@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722364517 HTHALZCUDHDKNC-IRXDYDNUSA-N 471.505 1.858 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCCS2(=O)=O)n1 1722428838 BURXZASCJMGONH-TZIWHRDSSA-N 490.630 1.622 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1722430765 IXGQXKCEKGFKPI-QHCPKHFHSA-N 484.582 1.074 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(C)COCCO2)CC1 1722436410 FVCCZMGMBUFBRK-VWLOTQADSA-N 488.633 1.953 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1722442976 KVUZHQMVGYZZNW-UHFFFAOYSA-N 474.569 1.626 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1C[C@H](C)O[C@H](C)C1 1722446219 BEQHZNAIMHUPMS-BGYRXZFFSA-N 493.612 1.777 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](COC)OC)CC1 1722446936 BSWWIPOSNUAULT-OAQYLSRUSA-N 496.616 1.079 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1722693789 AGOJSQPMQMRNMO-ZDUSSCGKSA-N 470.393 1.879 30 10 JDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N(C)C)CC1 1727102129 DWBJVTUTXUYZEP-RBUKOAKNSA-N 452.607 1.804 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1740631307 QBFAYZUOHMRTBV-SJORKVTESA-N 466.608 1.510 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCC(=O)NCCC)CC1 1740705413 GSFUHFWLBKBWHF-UHFFFAOYSA-N 490.568 1.476 30 10 JDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(NC(=O)COC)CC1 1740875182 UOLGFKXMBGHMSL-UHFFFAOYSA-N 465.558 1.890 30 10 JDEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)[C@H]1CC 1740885668 LQLJGPHVBAQBSA-LJQANCHMSA-N 454.579 1.760 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OCC(C)C)CC1 1740993705 CLHYCGQZVLVXGJ-UHFFFAOYSA-N 493.634 1.655 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2nnc(CC)s2)c1 1748692298 GBEWTWXCADRPPW-MRXNPFEDSA-N 464.555 1.748 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2CCN(C(=O)OC)CC2)c1 1748692630 KGZSCAKWACGPRR-FQEVSTJZSA-N 493.568 1.764 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)CN(C)C)c1 1748693013 VMQIEQZKPGNQMK-LJQANCHMSA-N 451.575 1.873 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1748734501 FJLXICUHNLQMJF-UHFFFAOYSA-N 486.598 1.336 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1748809496 UKLHCTNTPVHSGW-XTQVGHSUSA-N 458.584 1.674 30 10 JDEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1748817710 OVSHTIVJKWURCC-FXAWDEMLSA-N 492.623 1.533 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1CC(=O)N1CCOCC1 1748902673 IHBCZPHTBWKPLP-UHFFFAOYSA-N 486.370 1.941 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)C(=O)NC 1748970728 PJTKQSSKDALEHP-CALCHBBNSA-N 462.595 1.907 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCC2(COC)CCCC2)CC1 1749015689 JFNVXLQDYBJIBN-UHFFFAOYSA-N 470.618 1.963 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(O)c2sccc2n1 1749039204 QNUTVFDMLKPXNB-CYBMUJFWSA-N 478.625 1.893 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@H]1C(=C)C 1749158270 FMWQQWOEBJVKJK-FHWLQOOXSA-N 453.609 1.995 30 10 JDEE C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1749186331 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C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCN(C(C)=O)CC1 1507610771 JXCFBSOAHXTTSE-FQEVSTJZSA-N 473.622 1.626 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1507628212 VVCSNHNKJBQHOE-LJQANCHMSA-N 457.512 1.827 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccc(NC(C)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1507634453 YSSOPNGUPSMZHT-LJQANCHMSA-N 456.572 1.964 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1507640596 UFADENSUUNJYPC-HXUWFJFHSA-N 457.600 1.558 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCOCC1 1507772389 JTXVFBMHZRJIGN-WIYYLYMNSA-N 451.593 1.420 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCCNC(=O)C1CCC1 1507795856 FQXHRXYTYQBUIW-AABGKKOBSA-N 479.647 1.904 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507799430 JXAYHZFDHYYMHZ-WDYCEAGBSA-N 466.608 1.071 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1507806247 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C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNS(C)(=O)=O 1539569654 GUZGCLHOARSEKE-VWKPWSFCSA-N 466.608 1.590 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1539706955 YFAZLVILTHWFDO-IAGOWNOFSA-N 481.648 1.527 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)cc1 1540878163 PVKXRVZXRYTRDA-HXUWFJFHSA-N 488.614 1.703 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC(=O)NC)CC1 1540903589 GKHGINUTDBISFZ-UHFFFAOYSA-N 463.579 1.961 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCCCO2)CC1 1547767873 FRZHKQUXXBMZSG-NRFANRHFSA-N 481.601 1.946 30 10 JDEE Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1C 1584831761 BFUURBCNVPMIIB-IBGZPJMESA-N 458.565 1.994 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)C(C)(C)C)c1 1587692624 HARVEVFIYMWMBG-SFHVURJKSA-N 486.598 1.499 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1587765156 BQGJHWCBNXKPJJ-FHWLQOOXSA-N 452.625 1.333 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN1CCOCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588041025 UDAWJNBFOKFZPU-HXUWFJFHSA-N 487.626 1.691 30 10 JDEE C#CCN(c1nnc(CC)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588059326 LWPXIJLJUYPXMC-DLBZAZTESA-N 451.593 1.867 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(OC)c(OC)c2)CC1 1588924287 ZANZPWNLVNYOHZ-IBGZPJMESA-N 480.569 1.455 30 10 JDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1589406666 ZBZCSNRYHZSLKH-SJORKVTESA-N 485.427 1.354 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1589578641 HXAQEWCWWPEWQB-GKAYAJSDSA-N 463.579 1.251 30 10 JDEE C=CCCCn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1594775136 PYYVQPRHXYLVJR-DEOSSOPVSA-N 474.606 1.556 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@](C)(O)C1CC1 1611713198 GAYLEJGPUDMHAL-WQFQCULDSA-N 474.587 1.499 30 10 JDEE Cc1ccc(-c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2CC(=O)NC(C)C)o1 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30 10 JDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690741904 ACOJYWSJTLFDLP-AWEZNQCLSA-N 468.605 1.395 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNc1nccc(C(F)(F)F)n1 1705477995 VCPNIKKXZXAPNZ-RYUDHWBXSA-N 460.486 1.267 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2[nH]ccc2c1 1705494901 HXQGNVFOUUGDNF-UZLBHIALSA-N 456.572 1.793 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1705561034 MXCJMSZTSWFZRB-KRWDZBQOSA-N 475.571 1.067 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(F)cc1C)[C@@H]1CCS(=O)(=O)C1 1705561811 WPTZZAALZYBCNT-QFBILLFUSA-N 497.618 1.205 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(=O)NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 1705563246 TXTNUMRWIGXLBT-MRXNPFEDSA-N 457.512 1.383 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1705563776 FDPLEYKQMGLQLX-RTBURBONSA-N 476.624 1.848 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1705629083 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C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1722603212 GSCTVJYWQHKWTK-PMACEKPBSA-N 478.663 1.669 30 10 JDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C(N)=O)CC1 1722736290 YXHDFJYYFSPLNE-UHFFFAOYSA-N 478.644 1.816 30 10 JDEE C=CCSCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1722737449 HGWQAYUUFGSSPR-FXAWDEMLSA-N 456.620 1.643 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](C)Oc1ccc(F)cc1 1723816150 DZCFWDHIRHHHBI-BIENJYKASA-N 454.503 1.937 30 10 JDEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)CC)CC1 1728399343 CLIAIVSROPAVAH-UHFFFAOYSA-N 466.590 1.285 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)c(OC)c1Cl 1740611299 ZSCOUBUGGVMHJN-KRWDZBQOSA-N 498.005 1.594 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CCCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1740624570 JTOQFYDBIHRDON-KRWDZBQOSA-N 481.420 1.907 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCc2ccccc21 1740686855 XSIVBRFYDSMGKA-PZJWPPBQSA-N 473.599 1.427 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1740699320 BNKUEBTUDFTUEB-QFIPXVFZSA-N 487.402 1.853 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1740709848 MKFKWLVAIJUJEO-BGYRXZFFSA-N 461.680 1.778 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1740717055 IEVAVIWOCRWMKA-AEFFLSMTSA-N 464.617 1.341 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1740825023 HTYZZEKXGFVGMX-QYZOEREBSA-N 453.609 1.973 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1740962973 VIOLJIXMESOBQT-UHFFFAOYSA-N 464.526 1.757 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1740986923 KVWVUHRKQIYJBB-ZWKOTPCHSA-N 499.663 1.144 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740988683 MTELUULJWLMBQC-INIZCTEOSA-N 482.584 1.288 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](COC)C1 1740995282 GXBHYEXXNDPAOC-RCCFBDPRSA-N 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C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCC(C)CC2)CC1 1760273550 XZRTZWJQVBTNKY-VXKWHMMOSA-N 472.634 1.700 30 10 JDEE C=C(Br)Cn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@]1(OC(C)C)CCOC1 1760313704 DRHXQPLDKQPUJM-FQEVSTJZSA-N 497.394 1.748 30 10 JDEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)COC)CC1 1760440483 KXXIRKQAQJLRKS-GOSISDBHSA-N 478.594 1.848 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1760464534 JGJBZPPIRDRGRJ-PKOBYXMFSA-N 474.587 1.286 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(O)CCOC2)C1 1760538806 GWXGJBCNBDNBNG-AVRDEDQJSA-N 477.587 1.128 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nc(C)c(C)s2)C1 1760543267 OCGHVANRBSIQDE-DLBZAZTESA-N 482.632 1.514 30 10 JDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1766249290 DURYEZOCOBRQKI-FQEVSTJZSA-N 492.628 1.866 30 10 JDEE CO[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)C 1769615648 HTDPGEZDLFMSFL-IBGZPJMESA-N 452.563 1.778 30 10 JDEE COc1cccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)Nc2nccs2)c1O 1874433104 DLZZNAGGBAAZIE-ODCIPOBUSA-N 461.529 1.698 30 10 JDEE CCn1c(=O)c2cc(S(=O)(=O)N3CC[C@H](Oc4cc(C#N)ccn4)C3)ccc2n(CC)c1=O 1890368404 LCYIVONOAHBJFN-INIZCTEOSA-N 469.523 1.312 30 10 JDEE Cn1c(=O)c2cc(C(=O)NCC#CCN3CCc4ccccc4C3)n(Cc3ccccc3)c2n(C)c1=O 1891631203 FSAOHKURKCJUIO-UHFFFAOYSA-N 495.583 1.879 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@H]1NC(=O)OCc1ccccc1 2247845678 UBYVDJFPROEGAU-ZWKOTPCHSA-N 454.336 1.907 30 10 JDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(O)(CNC(=O)OC(C)(C)C)C1 2255831872 DFJJSEOIQULJBT-UHFFFAOYSA-N 453.370 1.462 30 10 JDEE CC(C)(C)OC(=O)NC[C@H](CO)NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255947891 FOASFAAZWNVRKV-OAHLLOKOSA-N 456.370 1.150 30 10 JDEE CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256623971 JBGWUSOUXOFXDT-CYBMUJFWSA-N 455.386 1.724 30 10 JDEE C[C@@H](NC(=O)CN(CCO)C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2256624143 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Cn1cc(C(=O)N2CC[C@H](CO)[C@@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282551685 LMLNBBNAIUCBIS-CABCVRRESA-N 464.372 1.067 30 10 JDEE COCCN(CCNC(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C)C(=O)OC(C)(C)C 2282554907 KXUWICSGCFTORW-UHFFFAOYSA-N 466.388 1.641 30 10 JDEE Cc1ccnc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H](O)C2)c1B1OC(C)(C)C(C)(C)O1 2282569801 WXGWAYHUPCEXLN-MRXNPFEDSA-N 461.368 1.743 30 10 JDEE COC1(CCNC(=O)OC(C)(C)C)CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2282576019 LLMRWYUCTIJJGX-UHFFFAOYSA-N 464.372 1.475 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2282868661 QPJGPBURICBDKM-GOEBONIOSA-N 484.428 1.691 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2284135634 RXRAHMHIUPTCCG-UAGQMJEPSA-N 463.340 1.051 30 10 JDEE CCc1nn(C)c(C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)c1B1OC(C)(C)C(C)(C)O1 2286113256 FKPQTOACMIYIES-UHFFFAOYSA-N 458.290 1.565 30 10 JDEE Cc1cc(CNCC(CO)(CO)NC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2343647969 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C#CCN(C(=O)CCc1nc2c(c(O)nc(=O)n2CCCC)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1 729331280 AUGBQMPGGANWAQ-QGZVFWFLSA-N 491.614 1.336 30 10 JDEE CC(=NNc1nc(SCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1)c1ccc(N)cc1 1084223424 SILNACHSRVULBB-UHFFFAOYSA-N 474.572 1.991 30 10 JDEE Nn1c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccccc1 1084540323 WOGMTLWLNIGUEX-UHFFFAOYSA-N 457.432 1.985 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H]2c2nn[nH]c2C(=O)OCC)s1 1154687118 PSINMSYLSAUMLF-ZDUSSCGKSA-N 453.546 1.413 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CCN(C)C(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1286385037 LACAXFHWNBEGKB-SFHVURJKSA-N 450.653 1.228 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286387866 VPRKRDPNSFHOEW-IBGZPJMESA-N 472.615 1.749 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1286389365 IPNVZZPOTNDGFU-OALUTQOASA-N 471.583 1.416 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(Br)n1)[C@@H]1CCS(=O)(=O)C1 1286392205 IBNNRPMNQMTLIO-GDBMZVCRSA-N 480.388 1.615 30 10 JDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1286423020 PPJZRLCJUYEMRQ-YKSBVNFPSA-N 451.575 1.796 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOC1CCCCCC1 1286431966 USIBXJFNBCUOCR-OAQYLSRUSA-N 477.631 1.813 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2cccc(C(=O)NC)c2)CC1 1286472233 FRWQULBMZRAGRU-AREMUKBSSA-N 480.613 1.676 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1286485242 YFLBFSOCCHDOBR-HXUWFJFHSA-N 457.600 1.746 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1286493289 UCTMCHHAUHNAHQ-SANMLTNESA-N 478.597 1.918 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CN1CCCC1 1286521682 BSGQPFLQADLEMW-XQBPLPMBSA-N 464.636 1.335 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1286542794 XPISMWRINYMRMD-ZTFGCOKTSA-N 467.412 1.679 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1286785052 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C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1358952338 HEAMWUZIYVZUSN-INIZCTEOSA-N 454.531 1.822 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(N(CC)CC)nc1)[C@H]1CCS(=O)(=O)C1 1358963015 AKEKTYAHCPKYFE-UXHICEINSA-N 472.615 1.698 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358967343 IWINPUSDBSFZGY-WOJBJXKFSA-N 487.626 1.977 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(F)c2)CC1 1359045926 YHKNNXZGKYYSIL-GOSISDBHSA-N 459.547 1.333 30 10 JDEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359051437 WNOKCJOKOUGEAL-LBPRGKRZSA-N 495.428 1.283 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccnc(C)n2)CC1 1359091845 SZCGXOYCFFELKQ-HQRMLTQVSA-N 490.634 1.295 30 10 JDEE C=CC1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCNS(C)(=O)=O)CC1 1359178365 PJAQYDREJBUYQX-UHFFFAOYSA-N 474.635 1.794 30 10 JDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)N1CCOCC1 1359233799 RIFLUOZALLKWFA-UHFFFAOYSA-N 462.620 1.928 30 10 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460.579 1.934 30 10 JDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1722357845 REJBPXPYQMECIM-IXDOHACOSA-N 466.608 1.542 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722360070 CSAHLNQFTSFQML-QUCCMNQESA-N 452.540 1.750 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1722364936 JOXMYAYSXNEISL-UXHICEINSA-N 462.547 1.440 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1722365290 DBEDAQOSIFMRSY-DLBZAZTESA-N 451.593 1.309 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2CCN(C(=O)OC)CC2)CC1 1722448769 HOESONQJBAQGEJ-UHFFFAOYSA-N 479.585 1.708 30 10 JDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N1CCCCCC1 1722449936 VRISIXYQGXRVOD-UHFFFAOYSA-N 456.547 1.885 30 10 JDEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1 1722484299 HIUWKGLXZRBKKJ-KGLIPLIRSA-N 485.383 1.807 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](C)(C(N)=O)C1 1722504616 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C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740615664 IQKDTCQHQUSYOZ-ZWKOTPCHSA-N 459.572 1.511 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1CC1(S(C)(=O)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1740623832 BMUFUSFYDVOQPR-SFHVURJKSA-N 468.645 1.605 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C(C)(C)O)cc1)[C@H]1CCS(=O)(=O)C1 1740625890 IZZYYSGLEVLMLF-QUCCMNQESA-N 458.584 1.684 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1740627573 ITNHJCUWYHCYEH-GHTZIAJQSA-N 450.536 1.488 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(CC)C(=O)OC(C)(C)C 1740649686 ZTZVKMPATVLVRQ-QGZVFWFLSA-N 466.608 1.608 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCS(=O)(=O)N(C)C)CC1 1740703402 RDLHBOVEMSXGCH-NRFANRHFSA-N 486.642 1.677 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1740889013 XRDKTUFXBFQWPQ-ZWKOTPCHSA-N 454.593 1.547 30 10 JDEE C=CCn1c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740949764 RIZPAOQKVGKOHW-YKSBVNFPSA-N 454.575 1.853 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(Br)ccc2C1 1740951931 QOBFAEDKGCXWNG-CYBMUJFWSA-N 497.419 1.516 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1740987493 UXRSNVYWQAXOSL-GOSISDBHSA-N 485.408 1.599 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1740991397 VSGGPNSEKLMROE-LJQANCHMSA-N 474.587 1.478 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740994140 MZPMKNBCTVNQRC-WBVHZDCISA-N 479.534 1.532 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1748809561 NMIOMLHUFYALLQ-HNNXBMFYSA-N 488.994 1.799 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1748819939 VBMUVNSQCCJDOL-MRXNPFEDSA-N 460.510 1.556 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1748847157 OZXOSEKYZBOWOU-NFBKMPQASA-N 481.622 1.522 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCC[C@]3(CCOC3)O2)CC1 1748971036 AZWPSGBSZBVMCM-GBXCKJPGSA-N 458.607 1.680 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCCN2CCOCC2)CC1 1749009577 CPNHPNJXZAHATR-UHFFFAOYSA-N 450.587 1.942 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC(F)(F)F)CC1 1749022556 KHLZRSKMGRYHPV-CQSZACIVSA-N 468.571 1.329 30 10 JDEE C=C(C)COCCn1c(C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1749213300 IKYOOQVOHHDOHU-IXDOHACOSA-N 455.581 1.306 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1749226997 WUCRAGRVCFDAIQ-QGZVFWFLSA-N 456.507 1.452 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1749427151 LYNSUKPWAQRRRQ-MRXNPFEDSA-N 459.638 1.445 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1749670031 QFYSYPOIMMJYAX-SFHVURJKSA-N 459.639 1.738 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749730617 KUAYGCNDALFLMJ-SFHVURJKSA-N 487.586 1.016 30 10 JDEE CC1(C)CN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)CCO1 1751300047 BFVZHWXYMWULJF-UHFFFAOYSA-N 467.574 1.398 30 10 JDEE C[C@@H]1CCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1752103005 CVPUDWZYULTPIX-KBMIEXCESA-N 481.601 1.490 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1760147499 UALPHSHFUDNMNM-HKUYNNGSSA-N 461.588 1.849 30 10 JDEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCNC(=O)c1cc[nH]n1 1760167755 BMNHSIOQNYXXJG-UHFFFAOYSA-N 458.320 1.939 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCCn2cc(C)nc21)[C@@H]1CCS(=O)(=O)C1 1760181314 SFGULYBBNONXBA-SLFFLAALSA-N 490.630 1.711 30 10 JDEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760183397 OUZQTTYYAOQQKN-OAQYLSRUSA-N 499.637 1.728 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1760191217 CZBVUZGBTCYBPZ-JPYJTQIMSA-N 489.598 1.145 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCOc1ccc(S(C)(=O)=O)cc1 1760216738 ZCLKDRDLGVJHCZ-UHFFFAOYSA-N 495.561 1.951 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(C)c1 1760234063 SNLLUHQKBOAGFO-QUCCMNQESA-N 461.588 1.846 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)c2ccccc2)CC1 1760267989 JBFOTRWNNOYIGS-UHFFFAOYSA-N 478.578 1.780 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(C(=O)NC)c2)CC1 1760270027 RXTQQMOEERQINN-HXUWFJFHSA-N 450.543 1.156 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1N(C)CCCC1(C)C 1760294734 FKIPZGISFWXETD-SFYKDHMMSA-N 478.663 1.724 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)CCS(C)(=O)=O 1760335225 MLCMBEOQLJXTBD-RDTXWAMCSA-N 451.549 1.468 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1760517235 HHOWLDDXPZBZFO-UHFFFAOYSA-N 467.465 1.411 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1760526372 MJFCWHURAPQMHS-UHFFFAOYSA-N 498.609 1.969 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nnc3n2CCCCC3)C1 1760535381 PSTMWFSIHUSQCI-HZPDHXFCSA-N 464.596 1.036 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2ccc(C)c(F)c2)C1 1760543932 WHZVTNJMDFJRBL-PKOBYXMFSA-N 456.522 1.888 30 10 JDEE Cc1cnn(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(Cc3ccc(C#N)cc3)CC2)c1 1762187886 GQDFZOFLHFYNLP-IBGZPJMESA-N 497.629 1.287 30 10 JDEE COCCN1C[C@H](Cn2c(CSc3ccccc3OC)nnc2N2CCO[C@H](C#N)C2)CC1=O 1769884445 FUTDSQAFRNLQML-QZTJIDSGSA-N 486.598 1.803 30 10 JDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCc2ccc(OC)cc2)cn1CCOCCO 1870643875 DZIWUUNWADVTTK-UHFFFAOYSA-N 499.608 1.778 30 10 JDEE C=CCn1cc(OCC(=O)Nc2ccc(C(=O)OCC)cc2)c(=O)cc1CN1CCN(C)CC1 1870705237 AWWWSXKPHIOZDB-UHFFFAOYSA-N 468.554 1.976 30 10 JDEE C#CCOc1cn(CCOCCO)c(CNc2ccc(C(=O)NCCN(CC)CC)cc2)cc1=O 1871007688 OEDZASCDKAJDCE-UHFFFAOYSA-N 484.597 1.553 30 10 JDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(S(C)(=O)=O)CC2)[C@H]1c1ccc(C#N)cc1 1892327835 GWFNZPKMMZNQGX-MOPGFXCFSA-N 450.586 1.056 30 10 JDEE CC(C)(C)OC(=O)N[C@](C)(C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)O 2124518987 FGNQBUOQJBSHAT-OAQYLSRUSA-N 450.345 1.769 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@@H]1C(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2194129113 SJYKAOQQKBIVBL-OPOSQJKLSA-N 466.384 1.802 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC(NC(=O)OCc3ccccc3)C2)n1 2247825055 YMELIDZBSMXGJP-UHFFFAOYSA-N 455.324 1.302 30 10 JDEE CON(CCCNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2267377742 HBSGGCFTFMZAOS-UHFFFAOYSA-N 471.385 1.848 30 10 JDEE Cc1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c(B2OC(C)(C)C(C)(C)O2)s1 2267475265 IDDOQQTVIRUDEZ-CQSZACIVSA-N 467.397 1.805 30 10 JDEE CCON(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267708924 SUFTTYYTIVMTEM-UHFFFAOYSA-N 474.389 1.186 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)(CNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2267728419 UYLFRHHLULRNQR-UHFFFAOYSA-N 488.437 1.449 30 10 JDEE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268636911 IMRQLJXWJXNOIN-UHFFFAOYSA-N 464.357 1.270 30 10 JDEE C[C@H](NC(=O)CN1CC(NC(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2268636967 JCCKYVPELRTOHK-ZDUSSCGKSA-N 466.413 1.828 30 10 JDEE Cc1c(C(=O)N2C[C@@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281803363 WFVFRAMJBWZORK-CABCVRRESA-N 464.372 1.128 30 10 JDEE COCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2281963773 PEDDENBZOZOXBB-UHFFFAOYSA-N 464.372 1.521 30 10 JDEE CC(C)(C)OC(=O)N1CC(c2nc(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)n[nH]2)C1 2281981222 GIZGFYXMIPCMDR-UHFFFAOYSA-N 459.316 1.414 30 10 JDEE Cc1c(C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281989566 BBFWVMWHSNBRNQ-ZDUSSCGKSA-N 458.290 1.701 30 10 JDEE CCn1cc(C(=O)N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)nc1B1OC(C)(C)C(C)(C)O1 2282032219 CUQJJIZPXBMTIA-OLZOCXBDSA-N 458.290 1.731 30 10 JDEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](CCO)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282585970 SANBBNSVHUUCAS-OAHLLOKOSA-N 464.372 1.163 30 10 JDEE Cc1c(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282597118 ICHCYUCXYNKVQX-LJQANCHMSA-N 454.380 1.659 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)CO[C@H]2C1 2283072476 PUKPOLIMMJZSRI-KKUMJFAQSA-N 460.340 1.140 30 10 JDEE CC(C)(C)OC(=O)NC[C@@]12CC[C@@](C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)(CO1)C2 2283977851 VHXMEEJUWOPFPC-SFTDATJTSA-N 480.396 1.662 30 10 JDEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)[C@@H]2[C@@H](O)[C@@H](O)CCN2C(=O)OC(C)(C)C)C1 2284136171 YKPFLTXPCREEQA-BZSNNMDCSA-N 466.384 1.898 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 2285199974 NWOIPVQQQYJPPZ-SJORKVTESA-N 461.368 1.789 30 10 JDEE COc1[nH]c(=N[C@H]2[C@H]3OCC[C@@H]3[C@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2365346681 XMQXPAICNNZVLA-PILAGYSTSA-N 461.368 1.904 30 10 JDEE N#Cc1cccc(NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3n2nnnc2-c2ccc3c(c2)OCCO3)c1 4259452 PFIDXAQZQKHDTB-LLUDDFSJSA-N 476.449 1.939 30 10 JDEE Cc1c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(N2CCN(CCO)CC2)n(C)c(=O)c1C#N 33389659 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C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1286516723 LECUSEXKFXKKLU-GAJHUEQPSA-N 483.960 1.842 30 10 JDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286534413 BIYFKOBOMHHRLC-OLZOCXBDSA-N 493.428 1.900 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286541815 NDIUHMZOWLGTDF-CZUORRHYSA-N 479.422 1.104 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 1286601718 XOTJERUBMAIIOB-CMKODMSKSA-N 466.652 1.934 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCC(=O)N(C)C)C1 1286809788 VNOMZAZISFKBAV-KRWDZBQOSA-N 465.558 1.935 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1286810107 XZVZGTHTOCRZJI-NVXWUHKLSA-N 453.469 1.780 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)nnc1C(C)(C)C 1286825866 YMVPWEGCTQBCLQ-LJQANCHMSA-N 474.631 1.525 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300483379 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1300705666 BQMDWINPLKGONT-IZHYLOQSSA-N 489.580 1.354 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(F)c(C)c2)CC1 1300712141 NFHMOVITPSBBQV-MRXNPFEDSA-N 476.578 1.350 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@]2(O)CCSC2)CC1 1300729108 NEUYATRGPWPCME-RUZDIDTESA-N 483.638 1.906 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)CN2CCCC2)CC1 1300731648 RJQMYANVXMUNEO-LJQANCHMSA-N 497.669 1.967 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1300734222 UGYCDRFZCBOQQT-GDBMZVCRSA-N 495.627 1.326 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)S[C@H](C)C1 1300761311 AWJIEFHKJMRDOA-OWCLPIDISA-N 459.663 1.308 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccs1)N(C)C 1300805855 JRKXSUIASJMVKU-KGVIQGDOSA-N 492.671 1.968 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1300991494 NIBIISRREBJZGU-HXUWFJFHSA-N 485.564 1.722 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2nccs2)CC1 1301086249 GUCZMXOCXKSPKO-INIZCTEOSA-N 452.606 1.857 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nc(O)c2sccc2n1 1301475071 LEHDBOGLRHCJNX-UHFFFAOYSA-N 456.532 1.163 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1301502983 UHZVKEDEPDEEOH-QGZVFWFLSA-N 486.020 1.614 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1301509011 YVJZBYXDSLGCCB-UHFFFAOYSA-N 466.567 1.901 30 10 JDEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C1 1314993174 GHFSENDFASUOCH-IBGZPJMESA-N 486.598 1.516 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1358962679 USMAHQITDQZFPT-QYZOEREBSA-N 462.620 1.120 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2OCC(F)(F)F)CC1 1359035114 LLGBGXMSATYNBF-KRWDZBQOSA-N 462.476 1.974 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C(CC)CC)N(C)C)CC1 1359036308 SRCDCDNEQSIVTG-VQTJNVASSA-N 450.653 1.302 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@H]2CCOC2)CC1 1359042261 YDEGKXPJJDHMFN-SFHVURJKSA-N 485.610 1.741 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCC(=O)N2CCOCC2)CC1 1359047186 VKOYUSVRKJUCHH-UHFFFAOYSA-N 478.597 1.278 30 10 JDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1359089805 PGYDBUKTBYGXNM-RLFYNMQTSA-N 475.409 1.926 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)C2CCCC2)CC1 1359179045 KKYRHNAPVKYZAY-FQEVSTJZSA-N 466.652 1.888 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1359302562 LLWMRXPVUIUGMF-HXUWFJFHSA-N 487.630 1.397 30 10 JDEE CC(=O)N1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)C1 1359368097 BXCSTCFRXLTHBF-IBGZPJMESA-N 465.558 1.546 30 10 JDEE COCCN1C[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](c3cccc(C#N)c3)C2)CC1=O 1504897766 HKBLBASPVWREOY-CTNGQTDRSA-N 495.584 1.361 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)NC(C)C 1507520891 HWTXLPXTXBJATL-OAHLLOKOSA-N 453.590 1.134 30 10 JDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC(=O)N1CCOCC1 1507543024 NQIVEGJIGYGNBU-HNNXBMFYSA-N 462.348 1.936 30 10 JDEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507559718 WYVOJIRHJFQECZ-OAHLLOKOSA-N 471.359 1.658 30 10 JDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1507583362 PXTLBSFFABYNHW-MRXNPFEDSA-N 454.556 1.619 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1507588301 ITZXWGXHDOMWQY-IBGZPJMESA-N 474.587 1.408 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CC1(O)CCN(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1507630451 YZNYQFZMEWPLPS-LJQANCHMSA-N 472.615 1.202 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1507631168 MPERNCAMIBLUGU-AWEZNQCLSA-N 492.508 1.502 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1507635937 WKSZRKIZIRTCPO-IBGZPJMESA-N 470.599 1.694 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCOCC1 1507702403 UVBXPOHBFSIEQQ-GOSISDBHSA-N 489.573 1.241 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccccc2OCCN(C)C)CC1 1507731798 PHHSCGYUOUZTEU-QFIPXVFZSA-N 452.603 1.916 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](C)C1 1507794715 AOGRCCUHGDQWRC-YRPNKDGESA-N 467.636 1.318 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1507844568 LVDXAIYYROINKX-ROUUACIJSA-N 464.592 1.923 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cnccn2)CC1 1507934725 IXYWEYGSPCHBKH-GOSISDBHSA-N 476.607 1.084 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1508093692 WGUDDYVVWSIIAQ-UHFFFAOYSA-N 476.516 1.892 30 10 JDEE C=CCNC(=O)Cn1c(N(C)C[C@@H]2COc3ccccc3O2)nnc1[C@]1(OCC)CCOC1 1508097887 LXMFRPZJWMXXKA-HXOBKFHXSA-N 457.531 1.509 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1508134318 CRCDJZGIIKHPPG-SBUREZEXSA-N 492.598 1.947 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1516846580 GKTHUXOGJRPEHV-INIZCTEOSA-N 499.519 1.261 30 10 JDEE COc1ccc(OC)c(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1518311921 GPCIVNNIYBHVKQ-MJGOQNOKSA-N 475.571 1.559 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(S(N)(=O)=O)cc1 1538966168 VHYCFTHEQAIOFB-HNNXBMFYSA-N 453.528 1.273 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1538976931 QVLFOSHTDGRUJG-VGOFRKELSA-N 461.588 1.733 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CCO[C@H]2C)c1 1539037107 BXFXLMYXOJJMJW-QMHKHESXSA-N 454.531 1.012 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1539427697 IAMVDSHFZKIEMR-LJQANCHMSA-N 450.591 1.801 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2OC(C)C)CC1 1539482492 UAUSKPFGZFHHMY-OAQYLSRUSA-N 499.637 1.982 30 10 JDEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1539683204 DUWOTHQEJQBXMD-UHFFFAOYSA-N 466.995 1.956 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1539903199 UNKXEIJHKRFVDR-MSOLQXFVSA-N 481.667 1.233 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1540200864 JDRAMAIYVLFYTJ-OTWHNJEPSA-N 469.652 1.707 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccc(OC)cc2)CC1 1540862673 GWGDPSSTYXJCFK-MRXNPFEDSA-N 476.603 1.583 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1540865389 DWLBWBCZEZSMEM-AWEZNQCLSA-N 461.364 1.985 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)NCC)CC1 1540900567 ZXTMTSDXBISIHN-UHFFFAOYSA-N 476.559 1.126 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2c(F)cc(F)cc2C1 1540902530 LLWBPXLGRMEBAF-KRWDZBQOSA-N 451.499 1.671 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1540904814 QNQVDIRRBAOZJR-HTAPYJJXSA-N 464.563 1.993 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1540904828 QNQVDIRRBAOZJR-VGSWGCGISA-N 464.563 1.993 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCS(C)(=O)=O)CC1 1540998651 VXVHCGOUNCZXLZ-UHFFFAOYSA-N 474.587 1.612 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCn1cc(Cl)cn1 1541911029 HWTQCPGWGJCGPY-AWEZNQCLSA-N 462.967 1.946 30 10 JDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCN(C(C)C)CC2)CC1 1555200677 CMNFOGCIKCWPCN-UHFFFAOYSA-N 481.601 1.347 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCOCCS(C)(=O)=O 1587631522 CVQKNXMYSZEDSN-QGZVFWFLSA-N 483.635 1.912 30 10 JDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1587719029 SWZADQYTBOVFHK-QGZVFWFLSA-N 458.588 1.666 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(NC(C)=O)CC1 1587823130 KLGRROHKHPWPMC-UHFFFAOYSA-N 458.588 1.714 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(CC)CCC1)[C@@H]1CCS(=O)(=O)C1 1588029194 FAPCTDSTGLDUCO-JKSUJKDBSA-N 457.622 1.095 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1588029503 IJJUVLWIMCWJME-VQIMIIECSA-N 497.618 1.287 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)c1ccccn1)[C@H]1CCS(=O)(=O)C1 1588034264 CFVTUPXJHCWBQL-CYFREDJKSA-N 487.626 1.930 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C(CC)CC)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588049569 IKOKCJJHOLELTE-UXHICEINSA-N 461.636 1.672 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588053613 GGGNHFCNIVXIBJ-URFJDIBFSA-N 463.648 1.919 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H](CC(C)C)N(C)C)CC1 1588806419 PXVHAIROTKIAJD-HXUWFJFHSA-N 476.629 1.924 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1588865153 QCYFKZICOFEQCE-OAQYLSRUSA-N 486.642 1.653 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)C(=O)NCC)CC1 1588877282 YJCHTXQNKLBKLN-KDURUIRLSA-N 487.649 1.966 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCCNC2=O)CC1 1589134003 CUNZLNMBJAYSQB-HKUYNNGSSA-N 462.620 1.753 30 10 JDEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1594436688 CDADWCBBAUDSHU-OAQYLSRUSA-N 450.536 1.948 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1595682324 ZYYVHUQFJAFMLP-KDOFPFPSSA-N 486.392 1.367 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)NCC)CC1 1595824209 YOYNZDJZFXUUPM-UHFFFAOYSA-N 476.603 1.618 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1595824224 ZBMFSLKRFPJZNX-INIZCTEOSA-N 481.550 1.874 30 10 JDEE CCN1CCN([C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1615842467 FEFWHSSUFWHWFC-DENIHFKCSA-N 485.658 1.714 30 10 JDEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1643322414 DAOHVRGLVJDZBO-UNEWFSDZSA-N 457.474 1.982 30 10 JDEE C#CCN(C(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1644788376 RCSYMMNEXYETPW-JYBIWHBTSA-N 459.543 1.400 30 10 JDEE CNC(=O)[C@@H](NC(=O)CN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)c1ccccc1 1647166320 DWICETPVUHWBHG-DEOSSOPVSA-N 457.538 1.674 30 10 JDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)c3ccc(OC)cc3OC)CC2)c1 1653204689 CCYIZVWBCOMADN-UHFFFAOYSA-N 450.495 1.791 30 10 JDEE C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1672352391 HNAMVPLRYNAKCA-FOIQADDNSA-N 455.540 1.709 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H]2CC[C@H](CO)O2)c1 1689872392 XOCCTVPPGONNJF-SESVDKBCSA-N 453.543 1.768 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CCc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1689979586 DHQGVDHXFYKXQY-FQEVSTJZSA-N 457.600 1.973 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OC)[C@H]1CCS(=O)(=O)C1 1689990446 ONXVLSHXPVLSAU-OALUTQOASA-N 492.623 1.172 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1689998138 CMAIQPWDRXRUCG-MBDNFAEBSA-N 493.674 1.749 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1c(CC)nn(C)c1OC)[C@@H]1CCS(=O)(=O)C1 1689998623 RORJIMUSRVTOHM-CRAIPNDOSA-N 462.576 1.109 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCCO2 1690103689 GLBRCMFPHPCYRQ-SFHVURJKSA-N 460.556 1.476 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccn1 1690104242 QPHPBSKEUFNJFD-GOSISDBHSA-N 476.603 1.070 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2cccnc2)CC1 1690114885 KCKUNLJTLGLFQF-UHFFFAOYSA-N 450.568 1.742 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCC(=O)N2CCOCC2)CC1 1690117605 OEDBVAFGRFOTMW-UHFFFAOYSA-N 496.612 1.745 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1690124887 WNCOXJORXMATFM-FQEVSTJZSA-N 472.615 1.226 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(O)c2)CC1 1690154394 MZDZOWXKSREBNP-FPOVZHCZSA-N 453.543 1.722 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCN2CCCC2)CC1 1690174446 DJUGDVMTTKZMIT-LJQANCHMSA-N 481.688 1.628 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1690288430 YMCBYJHGBAGKII-QUCCMNQESA-N 494.662 1.662 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1690572123 UCHAOKMMMOWBCF-LAUBAEHRSA-N 498.602 1.062 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1690665827 QYIPVVBCSRKJBU-GOSISDBHSA-N 467.530 1.366 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)N1CCN(CC)CC1 1705481868 NYCZKXOJRJKTAL-RTBURBONSA-N 458.632 1.833 30 10 JDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1705538583 UHHHDRLRIXNUKG-UHFFFAOYSA-N 474.613 1.992 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1705559763 BDJUMMSXUWPFMU-PMACEKPBSA-N 472.571 1.820 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1705560712 MVMWXSDRTUSXTJ-DLBZAZTESA-N 456.528 1.245 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1705561775 TZNAYECNDLXEIG-PGRDOPGGSA-N 491.639 1.722 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 1705564927 FSDPPCFRZOQGMI-DPPKGPFUSA-N 472.571 1.089 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1705566955 SELBLRIXQBLDOB-RTWAWAEBSA-N 468.583 1.563 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(CCOC)CCC1)[C@@H]1CCS(=O)(=O)C1 1705568851 WHTCSSYTYJIJTE-GOSISDBHSA-N 463.604 1.234 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCS(=O)(=O)CC=C)CC1 1705638714 UPMNRXQJOIXUBR-UHFFFAOYSA-N 495.609 1.031 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cc(C(F)(F)F)ccn2)CC1 1705647964 OIUBUXKAQJEQNB-GOSISDBHSA-N 489.502 1.852 30 10 JDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(S(C)(=O)=O)CC1 1705662742 JLQYFXOYAIFZPR-UHFFFAOYSA-N 458.613 1.896 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705899543 WUTMVYXEUGTKRD-UWJYYQICSA-N 469.565 1.375 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2cnn(C)c2)CC1 1705905232 OMARHRRFSIUTFY-UHFFFAOYSA-N 456.501 1.509 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1705937792 FGBSTLYDBCLKIR-HTAPYJJXSA-N 480.562 1.981 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCc1cnn(C)n1 1706617237 AWSFRAFBXHJXLG-UHFFFAOYSA-N 490.616 1.762 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722325480 LTBOKKALEIWYDS-INIZCTEOSA-N 465.601 1.232 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722363021 PWINFIZCLYCMDF-LJQANCHMSA-N 473.599 1.743 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CC[C@@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722364515 HTHALZCUDHDKNC-IAGOWNOFSA-N 471.505 1.858 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1722366692 JCDQBMIVLGPNBD-SJLPKXTDSA-N 458.588 1.580 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CC[C@H](N1CCOCC1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722370362 BQRSLNYMFOLDJB-ROUUACIJSA-N 489.564 1.511 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N2CCCCC2)C1 1722460408 FEPXGPLAXMUUSC-RTBURBONSA-N 482.676 1.042 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnn(C)n1 1722473576 FTBDDIKDYMGKRQ-OPAMFIHVSA-N 455.567 1.957 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCN(C)C1 1722673258 MOKAHWOWEFEQIK-NZQKXSOJSA-N 459.616 1.482 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cccs2)CC1 1722692229 XSKWBFFNGJYJIU-UHFFFAOYSA-N 466.571 1.611 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1722728671 TUTIFUQLNHCNQP-IRXDYDNUSA-N 469.608 1.876 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1722730121 JFYHBYCWOPAHTO-UNMCSNQZSA-N 489.642 1.923 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CCC)C1 1722738640 MWURJRNUMIQMFC-IAGOWNOFSA-N 459.638 1.536 30 10 JDEE COc1cccc(C(=O)NCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)c1 1730209951 FRDISWHBYZSZNF-NVXWUHKLSA-N 460.560 1.357 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 1740610590 GGURCAUMMFBVID-QHAWAJNXSA-N 473.599 1.848 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1740622236 WHZANEVYWSOIDY-QGZVFWFLSA-N 458.569 1.618 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1740623716 ZOGMZEUOKWBMOW-SFHVURJKSA-N 459.572 1.207 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1740626919 NYPVOXWYRCFXTP-ROUUACIJSA-N 472.633 1.014 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCC(=O)NCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740628440 XLSRLPLEIZRNHH-FQEVSTJZSA-N 457.600 1.810 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2ccccc2F)CC1 1740705979 PLLWJGAPRSQLOF-LJQANCHMSA-N 482.560 1.707 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nccs2)C1 1740738371 GUBJIYXXMQAGFS-NWDGAFQWSA-N 477.410 1.831 30 10 JDEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740747243 CGSBIDICNZJKSG-UHFFFAOYSA-N 486.440 1.909 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740810197 AGOFVCQISHLIKT-AWEZNQCLSA-N 466.029 1.183 30 10 JDEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740845740 ZVULVUUQEIGVRK-GOSISDBHSA-N 451.535 1.474 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1740986247 UKELQZBMVGBVIK-HOTGVXAUSA-N 484.623 1.367 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@@]2(C)CN(C)C2=O)c1 1748691662 JBEGJLLJWOJBRD-JWQCQUIFSA-N 480.569 1.465 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1748752281 UNMVBTOVAXLJJL-ROUUACIJSA-N 496.634 1.470 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(NC(C)=O)c1)[C@@H]1CCS(=O)(=O)C1 1748801495 AWHAREYNKYAIFU-HXUWFJFHSA-N 484.582 1.148 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1748818384 BCHGEIKPZPWKJS-SFHVURJKSA-N 459.572 1.030 30 10 JDEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(N)=O)C1 1749032285 BDMOSFAZYRHJNP-MRXNPFEDSA-N 465.583 1.743 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1749659484 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C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 1760189475 PKPNSKXFPGNRFT-LJQANCHMSA-N 452.540 1.557 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1760191540 JJGLKEHLRRSRDM-GOSISDBHSA-N 484.582 1.980 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2c(F)cccc2F)CC1 1760268817 PXNRYKYSEWTQQQ-IBGZPJMESA-N 456.497 1.716 30 10 JDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1760380545 GPORMGHVIYNZPE-AOIWGVFYSA-N 455.003 1.791 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)C2CC2)CC1 1760406952 QHDAJAAVMMNCDS-MRXNPFEDSA-N 452.625 1.939 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1760521099 JJVFSQOVMFEWII-WMZOPIPTSA-N 457.579 1.006 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760527980 OPKIBEHHTNQVMS-GOSISDBHSA-N 463.560 1.181 30 10 JDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)cc1 1760529526 IRPYOJVEWCFSQL-YLJYHZDGSA-N 452.515 1.652 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc(Br)cn1 1761362791 IDNSLYIENXUQCY-CHWSQXEVSA-N 456.370 1.578 30 10 JDEE CNS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1767853404 HLEPBCLMWPEISX-UHFFFAOYSA-N 451.556 1.854 30 10 JDEE CC[C@H](C)N1C(=O)c2ccc(C(=O)N[C@H](CO)C(=O)N[C@H](C#N)c3ccc(C)cc3)cc2C1=O 1867592342 RUZLZAQNKQQKLX-IWMITWMQSA-N 462.506 1.861 30 10 JDEE C=CCN(CC=C)Cc1cc(=O)c(OCCN2C(=O)c3ccccc3C2=O)cn1CCNC(C)=O 1870377536 KLAZPBCSCGCGQI-UHFFFAOYSA-N 478.549 1.833 30 10 JDEE C=CCn1cc(OCC(=O)Nc2ccc(C(=O)OCCC)cc2)c(=O)cc1CN(CCO)CCO 1870389608 XCVHBDHGUWVTFR-UHFFFAOYSA-N 487.553 1.405 30 10 JDEE COc1cc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc(OC)c1OC 1873528531 BCOJCHWIAHXPQN-RVQTXVGNSA-N 456.908 1.728 30 10 JDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccc2c(c1)OCCO2 1874436380 YDGYUOBJEOAIOZ-LGJNPRDNSA-N 480.550 1.976 30 10 JDEE CC(C)(C)OC(=O)N[C@]1(C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)CCS(=O)(=O)C1 2060642207 SYUATKARYJSCSX-RUZSNYSVSA-N 458.386 1.809 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2255646982 ZISLRWXHVLEEIO-HXUWFJFHSA-N 453.370 1.544 30 10 JDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(NC(=O)C(F)(F)F)C3)c(F)c2)OC1(C)C 2255747416 KKCLKUSSIRJKHO-UHFFFAOYSA-N 452.235 1.176 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2255752728 KYTNWDRCQXMELC-QWHCGFSZSA-N 456.374 1.053 30 10 JDEE Cc1nc(S(=O)(=O)N2CC(NC(=O)OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2255798864 ATMXEUQUWSIVQJ-UHFFFAOYSA-N 490.391 1.327 30 10 JDEE Cn1cc(C(=O)N[C@@]2(CF)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267120544 LXSCOJYXABMPLE-OAQYLSRUSA-N 452.336 1.798 30 10 JDEE CN(C)CCCN(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267411390 YMGCZZREDPHIBW-UHFFFAOYSA-N 462.425 1.862 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H](O)CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2267467686 PVLXMUSIQZUSOR-CYBMUJFWSA-N 490.815 1.803 30 10 JDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(NC(=O)C(F)(F)F)C1 2267723637 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454.593 1.106 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](C)CN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1286382955 BRBVZNRZDIZCOE-HBMCJLEFSA-N 464.680 1.692 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCS(=O)(=O)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1286387868 VPXIWFGTWNMAAW-FQEVSTJZSA-N 499.618 1.582 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](C)N(CC)CC)CC1 1286473121 ISMNSOZSPUOVOU-HXUWFJFHSA-N 487.674 1.681 30 10 JDEE C#CCSCCn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286512110 IWTUADVIQKYRJK-REWPJTCUSA-N 463.648 1.844 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCCS1(=O)=O 1286520182 AIJLIKJQCVTJKM-JOCHJYFZSA-N 459.572 1.990 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(N3CCOCC3)c2)CC1 1286637315 BJGJUYWYFNQLAQ-SFHVURJKSA-N 460.604 1.930 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1286781015 MLXADDPLTKOGDV-PMACEKPBSA-N 468.558 1.834 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1286798785 OJUAPNLVWNCQQH-SFHVURJKSA-N 459.572 1.747 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(F)(F)Br)C1 1286801250 XLPLXLOPNWYDIY-WDEREUQCSA-N 458.329 1.657 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(C(N)=O)CCOCC2)C1 1286802472 BKRUEPINXMCBFR-FDDCHVKYSA-N 463.579 1.382 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1286814865 HDTCVEBUGFXQTF-UHFFFAOYSA-N 471.587 1.615 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(Br)cn2)CCO1 1286940664 GDPJUWVVPKTYJX-LJQANCHMSA-N 499.373 1.817 30 10 JDEE C#CC[C@@]1(C(=O)NCCCN2CCN(c3ncccn3)CC2)CCCN1C(=O)OC(C)(C)C 1290589057 KJGYAKOYIKQDBZ-DEOSSOPVSA-N 456.591 1.898 30 10 JDEE CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N1CCN(c2cnccc2C#N)CC1 1298659967 FMFGJWMDXAFSAA-HKUYNNGSSA-N 456.591 1.828 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCOC[C@@H]2OC)c1 1300333882 DSFUJROOMKTSOK-ZVDOUQERSA-N 453.543 1.890 30 10 JDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccc(C(N)=O)nc1)[C@H]1CCS(=O)(=O)C1 1300484574 QJHRWSRTUTUARI-SFTDATJTSA-N 492.605 1.989 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N1CCOCC1 1300625620 JAGNLCCQYLYOGB-SFHVURJKSA-N 460.579 1.711 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(F)cc1 1300631607 UEFPISDSSFCLFW-VQIMIIECSA-N 465.551 1.677 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@@H](C)CN2CCOCC2)CC1 1300719333 WZMKEXYHPQOGEU-FQEVSTJZSA-N 450.587 1.879 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(NC(C)=O)nc2)CC1 1300731423 FPCXLDBEDDHPLB-UNMCSNQZSA-N 495.584 1.370 30 10 JDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300742693 RVVAWDHDGYKCIQ-GOSISDBHSA-N 461.555 1.715 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](C(N)=O)C1 1301593516 OMTKENJVTXBUKX-OAHLLOKOSA-N 451.524 1.299 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccccc2Cl)C1 1302477712 FLYTURAJZBQSFV-VQIMIIECSA-N 468.942 1.755 30 10 JDEE C#CCCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1358917946 GSHHGLWRZWDEOG-WZONZLPQSA-N 458.563 1.595 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1358958667 TYCSTALXVLLALZ-NQIIRXRSSA-N 463.991 1.292 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1358966258 KYHJRZUTZZKKRN-FQEVSTJZSA-N 485.610 1.627 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1358967336 IOLSDHHEZABIEW-IBGZPJMESA-N 483.598 1.715 30 10 JDEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358983221 ZRAHLIGJPLGOBM-FQEVSTJZSA-N 455.584 1.828 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2COc3ccccc3O2)CC1 1359040682 DGENAMNMMGMKGY-UYAOXDASSA-N 483.569 1.808 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1(NC(=O)OC(C)(C)C)COC1 1359281053 NBNABDYOVQPXBQ-OAHLLOKOSA-N 450.540 1.162 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1359287716 RVBCXXBIKMDOIS-MOPGFXCFSA-N 463.560 1.384 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(C)c2C)CC1 1359291437 QABABDBOSDBDFH-UHFFFAOYSA-N 451.575 1.760 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1359297156 HKQRNKAPNAIRBW-UHFFFAOYSA-N 489.533 1.026 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1359301234 VGODXCVEYVRHHA-GOSISDBHSA-N 488.614 1.483 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC2(CC1)COC(=O)N2 1359304476 YZTSNQOTECSQLO-UHFFFAOYSA-N 454.531 1.855 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1359332769 GXAAQEKXJIQDBB-IBGZPJMESA-N 493.605 1.853 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)(F)F)CC1 1359342557 AHVYAOYYJIYRGA-HNNXBMFYSA-N 498.597 1.215 30 10 JDEE CN(CCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)S(=O)(=O)c1cccs1 1469460371 HPRGXKLLQBRSRQ-UHFFFAOYSA-N 451.549 1.911 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1507625148 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1539203536 RSELRNFKCNYUHV-CGTJXYLNSA-N 475.546 1.463 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1539215867 KPPSLYSZDYWGNF-UGKGYDQZSA-N 472.546 1.352 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2c(CC)nn(C)c2OC)CC1 1539438091 NJXGOYHEPZWACX-UHFFFAOYSA-N 464.530 1.961 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2cccs2)N(C)C)CC1 1539462998 QVUJOAAFIJFUSC-LJQANCHMSA-N 483.642 1.844 30 10 JDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(N2CCNC2=O)CC1 1539579458 MOCKGTVAQDZWGH-CQSZACIVSA-N 457.373 1.905 30 10 JDEE Cn1nc(Br)c2c(=O)n(CC(=O)N3CCC(C#N)(c4ccccn4)CC3)cnc21 1539872760 ASVMFLDLSNGCAU-UHFFFAOYSA-N 456.304 1.371 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1540004558 AYWHFDATOGFATC-IEBWSBKVSA-N 463.608 1.825 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1540200861 JDRAMAIYVLFYTJ-CEXWTWQISA-N 469.652 1.707 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1540858113 HLGONTGMKJHJEV-CRAIPNDOSA-N 483.616 1.398 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1540863681 BJOCHXHUELWEDP-HNNXBMFYSA-N 468.377 1.633 30 10 JDEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1541806063 CYDRINKRNALXOL-AUUYWEPGSA-N 453.952 1.798 30 10 JDEE Cc1ccc(S(=O)(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cc1C(N)=O 1561726362 BOFXZXLJOBFVEJ-UHFFFAOYSA-N 450.524 1.867 30 10 JDEE C=CCN1CCC(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)CC1 1585284154 HINZOCYFEOMBMS-NRFANRHFSA-N 451.589 1.917 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)c(OC)c1 1587641053 WVEBHUWXOBGOKA-UZLBHIALSA-N 477.587 1.329 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1587861356 KHPWRQGQWZYFHD-CVEARBPZSA-N 478.541 1.097 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1588035069 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C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1595594146 KYBHFPRSZKJADK-XMSQKQJNSA-N 499.591 1.287 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1595789673 ZMUDGALWVGGZFT-INIZCTEOSA-N 473.534 1.918 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1595821963 FFXUGQWUPVLSGS-UHFFFAOYSA-N 498.609 1.778 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1595830768 GMZFVXGKBYRLRT-QGZVFWFLSA-N 452.581 1.068 30 10 JDEE Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCN(c3ccccc3C#N)CC2)on1 1612644525 GEGNSTKUKTXBPV-QGZVFWFLSA-N 484.586 1.821 30 10 JDEE C[C@H]1[C@@H]2[C@@H]3CC[C@H]4C=CC(=O)C5=C(O)N[C@@H](C5=O)[C@@H](O)CCNC(=O)C=CC[C@H]4[C@H]3C[C@H]2[C@H]2O[C@@H]12 1616183723 FDWNTCRVFCCYKL-XCIONVPZSA-N 482.577 1.561 30 10 JDEE biogenic C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 1616735325 VASMRGJVVXVNRM-IAGOWNOFSA-N 450.557 1.902 30 10 JDEE 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CC(C)(C)OC(=O)N1C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)OC(C)(C)C1 2268676739 NKMYZEZYDOBXDH-LBPRGKRZSA-N 468.385 1.612 30 10 JDEE C[C@@H]1C[C@@H](C)N(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2281951649 MCIDXBLCYRSXHG-HUUCEWRRSA-N 463.388 1.974 30 10 JDEE CO[C@H]1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)N(C(=O)OC(C)(C)C)C1 2282053647 JISIOGBSUQRMJB-CABCVRRESA-N 464.372 1.474 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282351259 YHGNESMNHOKYHY-SJORKVTESA-N 482.408 1.634 30 10 JDEE Cc1nc(S(=O)(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282507841 MVRGJKDMHTZSRD-OAHLLOKOSA-N 486.444 1.855 30 10 JDEE Cc1sc(C(=O)N2CC(NC(=O)OC(C)(C)C)(C(N)=O)C2)c(C)c1B1OC(C)(C)C(C)(C)O1 2282651665 DBMSWQRITVPLSG-UHFFFAOYSA-N 479.408 1.869 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)n1 2282846378 IUGHXODNCYYGQP-GDBMZVCRSA-N 484.428 1.691 30 10 JDEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2282883203 XFAKQERPSSJLDA-UHFFFAOYSA-N 462.352 1.793 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 2337192925 AIRYEAWLRZDVIJ-GOSISDBHSA-N 484.362 1.487 30 10 JDEE N#Cc1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)[C@@H](C(=O)N[C@H]3CCCNC3=O)C2)cc1 5413252 CPMIZZLHLZZECW-LEWJYISDSA-N 465.554 1.186 30 10 JDEE biogenic COc1ccc(OC)c(NC(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2N)c1 20527427 FJIJSQZWCZQPFF-ZVBGSRNCSA-N 488.486 1.800 30 10 JDEE COc1cc(/C=C2\Oc3cc(OCC(=O)N4C[C@@H](O)C[C@H]4C(=O)O)ccc3C2=O)cc(OC)c1OC 97527115 SGQQUYRWRQAOJN-MTCXLMPSSA-N 499.472 1.754 30 10 JDEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccnc2)c1C 103098673 KPHXUZDEWJPGGJ-NNWMPZTLSA-N 482.537 1.957 30 10 JDEE C=CCOC(=O)[C@@H]1O[C@H](OC(=O)[C@H](C)c2ccc(-c3ccccc3)c(F)c2)[C@@H](O)[C@H](O)[C@H]1O 253608680 ONIQYRINBFNODR-MKFXPMFGSA-N 460.454 1.676 30 10 JDEE COc1ccc(OC[C@H](O)Cn2c(NN=Cc3ccc(F)cc3)nc3c2c(O)nc(=O)n3C)cc1 254616647 AJYUEWOSWQBZGE-MRXNPFEDSA-N 482.472 1.869 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCCO3)c(=O)n1CC(C)C 514916266 BCMWDADNNNDYEQ-UHFFFAOYSA-N 455.536 1.151 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1ccccc1C 603800111 URMWLONZURTUHJ-UHFFFAOYSA-N 459.527 1.799 30 10 JDEE COCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C)c(C)c1 729672010 SWTAREGVIOPPBO-UHFFFAOYSA-N 473.558 1.429 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)CC1 758662736 MIFIOGXVPQOPNC-UHFFFAOYSA-N 451.552 1.571 30 10 JDEE Cn1c(=O)c2c(nc(Sc3n[nH]c(NN=Cc4cccc(Cl)c4Cl)n3)n2C)n(C)c1=O 1083983519 WSWRNULKHMPTCZ-UHFFFAOYSA-N 480.341 1.993 30 10 JDEE Cc1nnc(CN2CCN(C(=O)CSc3n[nH]c(NN=Cc4ccccc4[N+](=O)[O-])n3)CC2)o1 1083997808 AVUHDTLISDZVAJ-UHFFFAOYSA-N 486.518 1.287 30 10 JDEE COc1cc(C=NNc2nnc(SCC(=O)Nc3ccccn3)n2N)cc([N+](=O)[O-])c1O 1084496151 KIGFPLNEYRWQDW-UHFFFAOYSA-N 459.448 1.186 30 10 JDEE Cc1ccc(CNC(=O)CSc2nnc(NN=Cc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)cc1 1084534862 UPESUYQZLCZGPB-UHFFFAOYSA-N 485.486 1.971 30 10 JDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1141479270 GWFNFIIAAGMDSP-QGZVFWFLSA-N 459.547 1.766 30 10 JDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(C4CN(C(=O)OC(C)(C)C)C4)CC3)CC2)o1 1159377914 CKHLHNQEVLQICK-UHFFFAOYSA-N 458.563 1.835 30 10 JDEE CCOC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)C2 1227631150 FMZKFCCOSGBKQC-DNVCBOLYSA-N 450.499 1.646 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CC(=O)N(CCOC)C2)c1 1286308874 FBRLMQNFFBWZED-LJQANCHMSA-N 488.552 1.286 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC(=O)N(C)C)c1 1286309049 OCBRLSRIUOSNNS-RUZDIDTESA-N 482.585 1.853 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC(=O)NCC(F)(F)F)c1 1286309550 MUWBWSBAJPXBPO-UHFFFAOYSA-N 472.431 1.470 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1286322008 BZKOJSOMMPHFNS-SFHVURJKSA-N 473.603 1.417 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1286385445 XLQJAKVNDUDNJV-OFNKIYASSA-N 495.653 1.469 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1286386737 GUDBHCVVHGVVQU-LJQANCHMSA-N 451.556 1.476 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CCS(=O)(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1286387283 PRFRYRPKKUDXNT-SFHVURJKSA-N 479.628 1.208 30 10 JDEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC)[C@H]1CCS(=O)(=O)C1 1286389530 LQRBWGPZADFJBV-INIZCTEOSA-N 454.556 1.712 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)c(F)c1F 1286409009 HRPWHVWOCVXNPZ-KRWDZBQOSA-N 481.500 1.344 30 10 JDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCN(C(C)=O)C1 1286442722 KIGBIWQOIUJANR-GOSISDBHSA-N 457.604 1.956 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(C(C)=O)CC1 1286455569 WNIJSWZJTWPANO-KRWDZBQOSA-N 490.605 1.926 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 1286471092 IBIDFPLEHNANRS-IBGZPJMESA-N 465.602 1.748 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1286612580 WIMAHFUQXQRTJB-PMACEKPBSA-N 483.635 1.743 30 10 JDEE C=CCNC(=O)Cn1c(N2CCCN(Cc3cnn(C)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286792682 FHYAYWGDBGUMMY-DEOSSOPVSA-N 486.621 1.067 30 10 JDEE C=CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286825476 LLLHYTUPIPLMFY-HZPDHXFCSA-N 474.562 1.623 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@](F)(C#N)C2)CC1 1286888501 AYBZSNNGPGKLIR-IBGZPJMESA-N 479.358 1.642 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC=C 1300310394 MSJWZJCVOXBAMV-PXNSSMCTSA-N 459.572 1.682 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1300319448 BBPPZTWPXMZKPF-ZSYWTGECSA-N 472.590 1.883 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCOC(C)(C)C1 1300440927 BLYIXEDEZMKNCZ-UHFFFAOYSA-N 460.604 1.376 30 10 JDEE C#CCN(c1nnc(CC)n1CCCCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1300497957 FKWHVKFNBKATFH-INIZCTEOSA-N 469.409 1.907 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCN1CCN(Cc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1300499075 PEHDOOFRBFEQOR-DEOSSOPVSA-N 498.697 1.921 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1300503400 CKYBFXDWHOOYIL-NCXUSEDFSA-N 450.605 1.860 30 10 JDEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCCN(CC)S(C)(=O)=O)CC1 1300703395 IKJAKKGQCKRTMB-UHFFFAOYSA-N 483.642 1.777 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCn2cnnn2)CC1 1300730939 HKYZGACECJUTNU-UHFFFAOYSA-N 477.573 1.517 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccn1C(F)F 1300806343 SABNZMAGCOTILN-IFXJQAMLSA-N 469.518 1.243 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1300830359 FWVSSPXYUWLMPL-GJZGRUSLSA-N 477.429 1.098 30 10 JDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1300839229 DWVANFUEFVTEAO-UHFFFAOYSA-N 472.413 1.838 30 10 JDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1301236502 FWHAYDGHDGFISP-SFTDATJTSA-N 488.633 1.909 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1301477931 FXZSVUUDCOKQLM-HNNXBMFYSA-N 497.021 1.332 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C)C1 1301497391 VGCSPBWNNPVCJQ-INIZCTEOSA-N 451.531 1.763 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1301567779 LXOYUOBNLUNWFZ-DLBZAZTESA-N 496.634 1.464 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1301577744 SZHQAZUOOICHKW-ZBFHGGJFSA-N 464.979 1.557 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](COC)O[C@H](C)C1 1301577874 UBPUEAQDWJSFMV-AEFFLSMTSA-N 478.571 1.557 30 10 JDEE C[C@H]1OCC[C@]1(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1 1305242485 AYCBMUBHGHSYTQ-ZHRRBRCNSA-N 474.587 1.475 30 10 JDEE CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 1357329130 AXFXKOPCMUGFRX-CQSZACIVSA-N 453.929 1.366 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1358966765 WKNPKFVHXPGXSG-HXUWFJFHSA-N 483.598 1.782 30 10 JDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCN(CC(F)(F)F)C1 1359023596 PDLVDLFBLWOWAW-OAHLLOKOSA-N 468.480 1.976 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1359035653 AFYHFXUQSZCSMF-HTAPYJJXSA-N 478.018 1.497 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cnc(C)s2)CC1 1359041813 JMYFOPIAYNXSOL-JOCHJYFZSA-N 458.588 1.709 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1359043805 JKVROYGIVRJBJH-UHFFFAOYSA-N 471.587 1.058 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[S@](=O)C(C)(C)C)CC1 1359047051 OWIVOQKUMCVHNS-XIFFEERXSA-N 473.647 1.653 30 10 JDEE C=C(Br)Cn1c(N(C)CCCS(C)(=O)=O)nnc1[C@@]1(OCC)CCOC1 1359088919 XPIFUHSRCITLFU-MRXNPFEDSA-N 451.387 1.710 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1359096779 GUEZZTKBANRKCR-HBFSDRIKSA-N 475.619 1.824 30 10 JDEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359222446 JAGPLZHOHPDBEN-CZUORRHYSA-N 468.352 1.989 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CCOCC2)C1 1359227542 DNKLLURMCXBEPS-LJQANCHMSA-N 483.635 1.601 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359291737 AWBSKGPXGJQAKI-ZBFHGGJFSA-N 451.524 1.483 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1359299250 ZWPBBSUFDWQQCN-UHFFFAOYSA-N 471.562 1.391 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1359299319 BPPJGKNIJZXENO-NRFANRHFSA-N 487.649 1.593 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1359302281 BFZQBMNPXYWAPQ-UHFFFAOYSA-N 455.460 1.589 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1359306190 YSYHBOSIDCRBAU-IKGGRYGDSA-N 473.578 1.367 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(C)cc(OC)c2)C1 1359322637 ZMBTUDDDLQEFTJ-TZIWHRDSSA-N 491.614 1.758 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1359327636 GYNWMVGHEFQFPS-MJGOQNOKSA-N 479.578 1.679 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1359334161 VSFMYALGQJQDSH-INIZCTEOSA-N 480.660 1.928 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)NCCC)CC1 1507564096 MSICMXUAAHNROY-IBGZPJMESA-N 480.635 1.157 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1507640592 UEPLSMALBWPNEE-SFHVURJKSA-N 484.582 1.980 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCN(C)C(C)(C)C2)CC1 1507720625 VEEBWJSMWGEQEI-RUZDIDTESA-N 473.666 1.100 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1507731677 OGDDWZPYRDRVKQ-HXUWFJFHSA-N 472.615 1.574 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCn2cncn2)CC1 1507734755 WSHZZSMEHBVVTB-UHFFFAOYSA-N 470.484 1.804 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2nccs2)CC1 1507736285 NPRYZURBKFEPMG-HSZRJFAPSA-N 472.615 1.984 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cncn1 1507773530 SEGASRGBFOURDG-VGOFRKELSA-N 456.551 1.870 30 10 JDEE C=C(Br)Cn1c(C2CC2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1507781995 PJYICAOJNDGREB-HNNXBMFYSA-N 455.401 1.727 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1507800123 MCADIDVTOSSIHH-JQVVWYNYSA-N 470.622 1.697 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507824707 GGSLRFVPSQMVCE-SFHVURJKSA-N 472.571 1.691 30 10 JDEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1507825471 XKRLIRYQIGSVAE-UHFFFAOYSA-N 484.557 1.046 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1508072012 DHKKWAKWXKPRRL-OAHLLOKOSA-N 480.566 1.377 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1508085614 VWEFOYCQTDOJOU-QGZVFWFLSA-N 466.633 1.340 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1508088247 RHPYUMGTQUFGTI-UHFFFAOYSA-N 463.517 1.939 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1508142332 STMKEQOKCSTEBU-FQEVSTJZSA-N 450.653 1.753 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCCC)CC1 1508145940 RFEJRFVRXOZMFC-QZTJIDSGSA-N 474.649 1.567 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1539225874 ROQDIKNXKUYJBM-YLJYHZDGSA-N 451.618 1.812 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCCC2(C)C)CC1 1539467743 YGYZWKYBRAXMRS-DEOSSOPVSA-N 456.591 1.421 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccccc2Cl)CC1 1539477542 PYNHLNMBXXLACL-SFHVURJKSA-N 470.961 1.927 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCN2CCN(CC)CC2)CC1 1539481344 LNPGPWOEBWCARR-JOCHJYFZSA-N 471.650 1.513 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539782911 HKZORXYASKRSOV-UHFFFAOYSA-N 488.035 1.961 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)CC2)cc1 1540728291 BPOVRAXBHOIMMX-JOCHJYFZSA-N 454.552 1.292 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(C1)OCc1ccccc12 1540898031 YISGGKSLUKCJTP-IIBYNOLFSA-N 495.627 1.125 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1540903124 YWQGYLNRGIFEOE-OAQYLSRUSA-N 487.626 1.664 30 10 JDEE N#Cc1cccc([C@H]2CN(C(=O)c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)CCO2)c1 1567193761 AXABSMOZGHHCNG-HXUWFJFHSA-N 459.499 1.932 30 10 JDEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1587787473 NXOISCYEMPKGAW-UHFFFAOYSA-N 480.569 1.596 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1587861995 RQOGVUSQKHCKEN-UGKGYDQZSA-N 477.562 1.261 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CCCN1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 1588045497 LXRUNDBWEIALEW-HXUWFJFHSA-N 457.600 1.419 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588064741 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C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1595501532 XEIVVXPORCUIFT-IBGZPJMESA-N 476.585 1.252 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2CCOC[C@@H]2C1 1595766803 XQGCKELJSYJYKA-SFHVURJKSA-N 477.587 1.084 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1595797405 FVWXNDFTOMZTNN-PMACEKPBSA-N 478.619 1.839 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)ccc1F 1602732428 KRYRWHSLEBNLMS-UHFFFAOYSA-N 452.596 1.921 30 10 JDEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)C1 1616577816 BDMUIJZSFULWSV-HUFXOUDFSA-N 482.585 1.963 30 10 JDEE C=CC[S@](=O)(=NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1 1636977861 MGWWJIMOHSBXIE-MUUNZHRXSA-N 456.567 1.608 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2O)s1 1640318101 YBMORWNNEKDIJL-STQMWFEESA-N 452.558 1.635 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1689824549 SAAIJKOKDDQMDX-LJQANCHMSA-N 473.585 1.969 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)OC)c1 1689868658 NMAAYRGPSGJJID-OAHLLOKOSA-N 462.576 1.370 30 10 JDEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1689913573 QOGIWUGPHHEEDZ-LJQANCHMSA-N 498.559 1.478 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](C)CN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1689984925 YIDKSXMTTXTGBA-JTHBVZDNSA-N 484.670 1.845 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)C(=O)NC 1690034875 VFIKMODAKBRNOD-UHFFFAOYSA-N 469.615 1.782 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCO[C@H]1C 1690036033 SSKABNSYYNPCCH-BXKMTCNYSA-N 454.527 1.974 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1690046925 IDSLPVGNAKTQFZ-IHFIDZABSA-N 475.615 1.015 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccccc2C2OCCO2)CC1 1690111538 DLKCFBJGWFCSGN-IBGZPJMESA-N 455.559 1.851 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccn(CC)c2=O)CC1 1690137701 HAIQFBBFZIOFJX-AREMUKBSSA-N 496.612 1.514 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1690150848 XXAWESQKMBIMKH-AZUAARDMSA-N 472.615 1.651 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCCNS(C)(=O)=O 1690195359 JQBJYJFAXONMNP-QGZVFWFLSA-N 455.382 1.967 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCNS(C)(=O)=O 1690202835 HBANOYBPBCDWSQ-XMMPIXPASA-N 497.625 1.996 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1nncn1C 1690484949 HUZCWNQYIUIGPV-HZPDHXFCSA-N 450.569 1.047 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1690661864 JNSRKTDIDOAJJE-UUVAVEHKSA-N 463.380 1.946 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(NC(C)C)CC1 1690669042 RTSGHOPDUWKLBJ-UHFFFAOYSA-N 464.574 1.461 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(Cn2cccn2)CC1 1690674989 MNZICRMDRKQGEB-UHFFFAOYSA-N 468.587 1.685 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOC[C@@H]2C)cc1 1690680481 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C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705630918 LRHOFSAMURNREA-GUDVDZBRSA-N 467.636 1.564 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCNC(=O)[C@H](C)CCC)CC1 1705636473 LXSOVCCNQDXVIO-LJQANCHMSA-N 476.589 1.228 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[C@H]2COCCO2)CC1 1705646290 DFZRPMCIBSBICE-FQEVSTJZSA-N 483.569 1.734 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2[C@@H]2C[C@@H]2C)CC1 1705647078 ZODQTMGCFTXCIY-OXJNMPFZSA-N 470.599 1.742 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1705659595 ATJTURZNVWZISM-GOSISDBHSA-N 453.572 1.021 30 10 JDEE C=C(Br)Cn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1705692138 AOVCBQLLFOATPS-BEFAXECRSA-N 469.384 1.783 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc([C@@H](C)O)cc1)C1CC1 1705855081 VIXDVMJADPSOMW-UZLBHIALSA-N 461.588 1.867 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1705897806 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C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCC1 1722657365 ZPOPUDUHXORFJP-HXUWFJFHSA-N 486.598 1.590 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2nccnc2C)CC1 1722692370 KAKOOLPKVGIJSZ-UHFFFAOYSA-N 489.584 1.874 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ncccc2F)CC1 1722698527 GXENGOVSRJWACN-HNNXBMFYSA-N 478.550 1.064 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1722698597 ILLBGYLQXQFFQT-QZTJIDSGSA-N 461.563 1.691 30 10 JDEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1 1722705493 ZLLWSNPOTFXCEK-UHFFFAOYSA-N 470.574 1.601 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCCCCC2)C1 1722718877 ODXKCPVNKIXNLX-RBUKOAKNSA-N 483.635 1.478 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCOC1 1722727917 PTGLTNGLLKLSMC-OAHLLOKOSA-N 458.544 1.018 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCS(=O)(=O)CC1 1722730614 XIIKYRJBMLQFFM-UHFFFAOYSA-N 468.601 1.310 30 10 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C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)C1CCN(CCC)CC1 1760553454 CTAHHFWHVWKCRZ-UHFFFAOYSA-N 478.619 1.917 30 10 JDEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1764931953 ASCOYNCBZLZFKT-HSZRJFAPSA-N 478.645 1.977 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CC1 1765648138 FFZYJGSORDCISF-FQEVSTJZSA-N 453.547 1.166 30 10 JDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)C(C)(C)C)CCN1S(C)(=O)=O 1771500155 GJRRTRNADRYYNA-INIZCTEOSA-N 494.643 1.500 30 10 JDEE C=CCN1C(=O)C(Nc2ccc(S(=O)(=O)NC(C)=O)cc2)=C(c2cc(OC)ccc2OC)C1=O 1863368309 QCNZHLPPCKATBW-UHFFFAOYSA-N 485.518 1.907 30 10 JDEE NC(=O)C1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)N=C2NS(=O)(=O)c3ccccc32)CC1 1869928049 OIJBCZKMXJWFFT-FQEVSTJZSA-N 479.562 1.542 30 10 JDEE CCN(CCO)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCCN1CCOCC1 1870349496 PQJQFKUNYPFGCV-UHFFFAOYSA-N 454.571 1.835 30 10 JDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC(CN3C(=O)CCC3=O)C2)[C@H]1c1ccc(C#N)cc1 1892096217 XLMJBQSSKXUQSD-YADHBBJMSA-N 454.552 1.559 30 10 JDEE CC1(C)OB(c2c[nH]nc2C(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)OC1(C)C 2247917852 LODUXJJLDICGJM-BPQIPLTHSA-N 452.320 1.848 30 10 JDEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C 2266989318 BYMUGPORTCECPX-UHFFFAOYSA-N 452.361 1.946 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC1(CNC(=O)OC(C)(C)C)CC1 2267713689 REJLWXMSQGBCJG-UHFFFAOYSA-N 470.401 1.303 30 10 JDEE Cc1c(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281799750 ZLFYNYOJNRLPDM-CHWSQXEVSA-N 458.290 1.699 30 10 JDEE Cc1nn(C)c(C(=O)N(C)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2281984743 FKYAZOBIZPBLJQ-QLPKVWCKSA-N 460.384 1.965 30 10 JDEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2281993024 VPBRCOCAONFNNC-HOTGVXAUSA-N 462.352 1.704 30 10 JDEE CCc1nn(C)c(C(=O)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282558620 JYRXSIHDGWATBT-HUUCEWRRSA-N 464.372 1.304 30 10 JDEE Cn1cc(C(=O)N2CC[C@H](OCCNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282590347 AAZSWMKNXQTLKT-HNNXBMFYSA-N 464.372 1.475 30 10 JDEE Cc1cc(S(=O)(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2282835263 RJSSNEHEUDKGAZ-JOCHJYFZSA-N 484.424 1.848 30 10 JDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2283958354 YLWPJFWTELBRQU-INIZCTEOSA-N 463.315 1.799 30 10 JDEE Cc1c(C(=O)N[C@H](COCc2ccccc2)CC(=O)O)nn(C)c1B1OC(C)(C)C(C)(C)O1 2284458059 POZBSSKSLUFFHA-KRWDZBQOSA-N 457.336 1.818 30 10 JDEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)cc1OC 2296091453 PMYAJHNPUCJBJP-NRFANRHFSA-N 453.495 1.853 30 10 JDEE COc1cc(OC)c(OC)cc1C=Nn1c(SCC(N)=O)nnc1[C@@H]1CC(=O)N(C(C)(C)C)C1 2327840256 CFAPQHXNGIGWTK-CQSZACIVSA-N 490.586 1.878 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)n1C 2337330609 RBBUBZVLDSCOEJ-KBPBESRZSA-N 450.345 1.050 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 2362343294 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30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1-c1ccc(C)c(F)c1 839359435 HILYHELLKCVNKV-UHFFFAOYSA-N 486.532 1.733 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2C)s1 1142127281 USENVIPPZCXMJW-UHFFFAOYSA-N 457.599 1.952 30 10 JDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCNC(=O)CC23CN(C(=O)OC(C)(C)C)C3)c1 1175069503 DEMATCKKBMCHOT-UHFFFAOYSA-N 455.515 1.127 30 10 JDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1286369466 RCMIHNGQPROJOU-GOSISDBHSA-N 477.569 1.629 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCn2cc(C)nc21)[C@@H]1CCS(=O)(=O)C1 1286380858 JRBNCDPWVHULGY-QZTJIDSGSA-N 473.603 1.126 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1286398710 NAFNUJNGXVWWSD-KZNAEPCWSA-N 452.621 1.984 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1286466903 LFQJJXRVNWJCIT-VQTJNVASSA-N 455.563 1.078 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCNC(=O)c2cc[nH]n2)CC1 1286474790 MDWQJRNFFWVFEW-UHFFFAOYSA-N 497.401 1.924 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)CC1 1286488226 WXKUGGYEBVRDPB-UHFFFAOYSA-N 459.554 1.828 30 10 JDEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1286667605 LPOYCWYNTOUFSI-UHFFFAOYSA-N 460.546 1.754 30 10 JDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286683639 WLNXSTUQPKGOCL-UHFFFAOYSA-N 468.562 1.455 30 10 JDEE C=CCCCCn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286691552 KSUZTUAGMZXXOW-RUZDIDTESA-N 488.633 1.946 30 10 JDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1286775399 GYAPEKLGUIHCBM-UHFFFAOYSA-N 473.603 1.579 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1286776464 ZILIMFYFKDBPHP-LJQANCHMSA-N 489.602 1.588 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286779800 MSUODDIUTMFBJR-LJQANCHMSA-N 477.587 1.668 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1286782822 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C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1300495653 JCKMMKXPSCACSC-OTWHNJEPSA-N 474.583 1.885 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(C)(C)N2CCOCC2)CC1 1300688510 GSZPOSOVAGRPRX-UHFFFAOYSA-N 468.602 1.828 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1300703182 BCILMSGBUFOPIP-QHCPKHFHSA-N 493.656 1.575 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1300705972 FXTJTWYGXJYNPQ-UHFFFAOYSA-N 481.626 1.488 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1300743613 VXUZFLVWMQDDJQ-MJGOQNOKSA-N 488.639 1.277 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)COC)CC1 1300975437 UCIIORYQJUJZCW-UHFFFAOYSA-N 477.587 1.236 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCC(F)(F)CC2)C1 1301477528 BPVJKCPZZQLBSK-CQSZACIVSA-N 460.551 1.596 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1301509122 AIROTVFRRSPBRI-OAHLLOKOSA-N 470.559 1.647 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1301575964 NWYXLNCCEUYERB-INIZCTEOSA-N 482.628 1.953 30 10 JDEE C=CCSCCn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1301617869 KMMQFEDWUPNHIV-UHFFFAOYSA-N 465.649 1.703 30 10 JDEE CCCNC(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)c1 1313455493 FCWOMKNEHNDRMX-APWZRJJASA-N 458.588 1.964 30 10 JDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@@]1(O)CCN(C)C1 1314389618 IDHYSIYZSYJVMI-JOCHJYFZSA-N 459.982 1.733 30 10 JDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1314641665 FTBABTIRSUGPCJ-UHFFFAOYSA-N 465.493 1.073 30 10 JDEE Cn1cc(N2CCN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)NCC(F)F)CC2)cn1 1314907500 DECNKRBRVIKETO-UHFFFAOYSA-N 485.499 1.170 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCN(c4ccccc4C#N)CC3)n2CC(F)(F)F)C1 1316354277 FZLYMMFWPFTFAL-KRWDZBQOSA-N 499.519 1.372 30 10 JDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCSCC2)CCCCC1 1358937654 DETMLVUJMKTYEX-KRWDZBQOSA-N 454.666 1.709 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358957204 RBOZIHJHHJPRER-QTEQDKRBSA-N 479.647 1.289 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nnn(C)n1 1358993522 PPVAGNFLMLHLLJ-UHFFFAOYSA-N 453.551 1.427 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC(C)C)nc2)CC1 1359036097 MPEGQIPTKJHOBF-IBGZPJMESA-N 458.588 1.166 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1359036296 SNAPXWMJWCNVDA-DYESRHJHSA-N 497.543 1.386 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC=C)CC1 1359041686 FKZXESWGUAFNTD-UHFFFAOYSA-N 456.572 1.347 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC)c(OC)c2)CC1 1359044708 MMHGFDOXWNAUJO-LJQANCHMSA-N 453.543 1.813 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cn3ccccc3n2)n1CCCNS(=O)(=O)CC 1359072029 MNGHQANMJZAYDV-JOCHJYFZSA-N 455.588 1.838 30 10 JDEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359184880 DKLGJHXRXPDJCC-KRWDZBQOSA-N 485.618 1.993 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCOC1 1359260363 BRMLIZWBLNAQKI-DENIHFKCSA-N 495.577 1.094 30 10 JDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)NCCOC)cc1 1464249845 MNYWJUUTJKHHLN-SFHVURJKSA-N 453.561 1.534 30 10 JDEE CC[C@@H](C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1494939965 DTNQSXLKTUWEMP-VGOFRKELSA-N 476.603 1.607 30 10 JDEE CCCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cn1 1501262299 CLDQHRASOPDTQR-AEFFLSMTSA-N 477.591 1.581 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCCC2)CC1 1502435583 HROLTLSQNCAKJZ-UHFFFAOYSA-N 494.644 1.861 30 10 JDEE COc1ccc(O[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1504294832 DUCACGQOHXLWBN-VKJFTORMSA-N 464.548 1.093 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1507564537 RTXONQKGNHGDSK-DXIQSLLYSA-N 481.619 1.189 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CC(N)=O)CC1 1507577600 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CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 1554356215 GYUPEYGDEKHXAB-DENIHFKCSA-N 458.588 1.287 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CC(=O)NCC=C)c1 1587697812 YEPCGFNERPTELK-UHFFFAOYSA-N 463.567 1.992 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588058679 AEMUOWDWECSINY-HXUWFJFHSA-N 475.590 1.797 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N1CCOCC1 1588637992 LUTMINFEJIPSDF-IBGZPJMESA-N 490.605 1.337 30 10 JDEE C#CCSCCn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OCC)CCOC1 1589125655 NFBBCIDLBKYUDT-UXHICEINSA-N 454.618 1.312 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CC(=O)N1CCOCC1 1589578136 GKJORAJLWQRHNM-QIJZPMMNSA-N 463.579 1.278 30 10 JDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1594727711 SJWVODINIFJUGL-GOSISDBHSA-N 463.608 1.691 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC2(CCC2)C1 1594813216 QQSKOZYGCCCQJB-GOSISDBHSA-N 469.608 1.211 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1595555974 LLZMTPLLWNQNPV-GOSISDBHSA-N 453.591 1.943 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)Cc2ccccc2)C1 1595723602 YQLUICXJRBEXFU-PMACEKPBSA-N 494.639 1.577 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(F)c2F)C1 1595730189 ULSKIFIMSQOHJB-HKUYNNGSSA-N 497.568 1.913 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1595797790 ILDKQBKGVZWYGG-GOSISDBHSA-N 494.017 1.885 30 10 JDEE CS(=O)(=O)NCCn1c(-c2cccnc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1620176618 HOWQVSGYUVWQTA-UHFFFAOYSA-N 466.571 1.083 30 10 JDEE C#CC[C@]1(C(=O)NCc2ccc(S(=O)(=O)CCO)cc2)CCCN1C(=O)OC(C)(C)C 1623469412 VRFYXGBHPVFSOC-JOCHJYFZSA-N 450.557 1.862 30 10 JDEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1cn(C)c(=O)nc1O 1667304027 COCDPEYGXAYYCE-CYBMUJFWSA-N 454.302 1.396 30 10 JDEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1cn(C)c(=O)nc1O 1667304028 COCDPEYGXAYYCE-ZDUSSCGKSA-N 454.302 1.396 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNS(C)(=O)=O 1689850907 JDZKMISGHIOONF-IRXDYDNUSA-N 468.624 1.790 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2OCC[C@H]2C)c1 1689872395 XQZMSDKEBPCJEX-IMFGXOCKSA-N 471.583 1.661 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1689977721 BIBKKAHIJZTHGS-QGZVFWFLSA-N 475.571 1.131 30 10 JDEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1689982515 PCFAXFLWIZNPBI-MSOLQXFVSA-N 495.399 1.750 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCS(=O)(=O)CC1CC1)[C@H]1CCS(=O)(=O)C1 1689982839 VQWISEYJTDXRAF-IBGZPJMESA-N 492.623 1.405 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689987686 APKJMCNSVMSJMW-IEBWSBKVSA-N 471.612 1.726 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1 1690019459 JFCREAGFRLCZBI-UYAOXDASSA-N 457.556 1.151 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCNC(=O)c2ccccc2F)CC1 1690110388 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C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1705588006 SCAZLHZFVSNPPJ-UHFFFAOYSA-N 456.547 1.271 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(CC)(CC)OC 1705598428 JOEIPUWWBCIACS-SFHVURJKSA-N 451.593 1.279 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C(=O)N(C)C)c1 1705613021 URHSPIFCUWLOEM-FQEVSTJZSA-N 488.614 1.015 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@](C)(O)c2ccccc2)CC1 1705632100 HWEFQYWMFCNMQY-VWLOTQADSA-N 459.554 1.978 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(N3CCSCC3)CCCC2)CC1 1705633819 ZDLQYKAUNRRVLL-LJQANCHMSA-N 495.719 1.005 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1705638424 KKADQAUJHJFANZ-OAQYLSRUSA-N 450.635 1.677 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(CN(C)C)c2)CC1 1705648708 WWLIQKSATWRAEU-JOCHJYFZSA-N 450.587 1.858 30 10 JDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCS(=O)(=O)C1 1705843281 BGCBJWNDDDVUKP-CVEARBPZSA-N 455.581 1.643 30 10 JDEE 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C=C1[C@]2(C=CC(=O)OC2(C)C)CC[C@]2(C)[C@@]13O[C@]14C(=O)O[C@@](C)(C(=C)[C@]21C(=O)O[C@H]4C)[C@@H]3O 257447386 IQBUQLYYAHHCGX-KMXKEPQRSA-N 456.491 1.906 30 10 JDEE C=CCN(C(=O)Cn1cnc2c(c(Br)nn2C)c1=O)c1nc(C(=O)OCC)cs1 727091405 JAOKCXPCNVWEJV-UHFFFAOYSA-N 481.332 1.745 30 10 JDEE C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@H]12 1085194928 NIKZPECGCSUSBV-LCEFSSADSA-N 464.555 1.796 30 10 JDEE C=CCn1c(S)nc2cc(C(=O)NC[C@@H]3CCCC[C@H]3NS(C)(=O)=O)ccc2c1=O 1157346172 IMGCWYGFFYYEIH-GOEBONIOSA-N 450.586 1.709 30 10 JDEE C=CCC[C@H](CO)NS(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1190263981 FKIQPNDATMZNQD-LLVKDONJSA-N 453.298 1.992 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1286318152 SKFRQVCLZOTHSX-JKSUJKDBSA-N 454.597 1.795 30 10 JDEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286541840 DJGJZBMANVRMAF-UHFFFAOYSA-N 493.410 1.222 30 10 JDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1286602228 VUIDZPAQUAPTGR-ACRUOGEOSA-N 454.575 1.927 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC(=O)N1 1286743081 YTIQBLVEHFOKIU-RBUKOAKNSA-N 454.556 1.523 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCOC[C@@H]1C 1286815047 KCOOKGMOXYGQKD-HNNXBMFYSA-N 466.560 1.797 30 10 JDEE Cc1ccc(OCc2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1289790429 DRRDWXGNXJCGLS-QFIPXVFZSA-N 459.572 1.845 30 10 JDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1300362968 VYDHALPOAIJXEP-PMACEKPBSA-N 465.620 1.606 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1300482650 GWNHNTGRLIIRFN-JPYJTQIMSA-N 491.614 1.853 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 1300488297 QGIRSMUINQDAPS-IBGZPJMESA-N 459.620 1.570 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1300488804 WJVGLTMGJKLUPZ-CVEARBPZSA-N 470.521 1.784 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1300490641 AIQCXKPSRUVRAO-QGZVFWFLSA-N 456.572 1.321 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1300503372 CBEAEMUKIFTXHR-LJQANCHMSA-N 473.599 1.625 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300504710 QWRVGCJUWRESAV-GOSISDBHSA-N 463.579 1.963 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCN(C)C(C)(C)C1 1300527150 CIRJHSQAFBZZGX-UHFFFAOYSA-N 486.624 1.774 30 10 JDEE COc1ccncc1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1300694907 HGYFIXZZZDRRRP-UHFFFAOYSA-N 463.542 1.949 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(F)c2F)CC1 1300725812 KIXDNAHFQLKPBC-SFHVURJKSA-N 491.564 1.667 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)OC(C)(C)C 1300914036 ACNDUBCTVJBJIB-MRXNPFEDSA-N 472.612 1.538 30 10 JDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1300926164 XKRYLOYTZBLPAM-KRWDZBQOSA-N 458.567 1.893 30 10 JDEE C=C(C)COCCn1c(N2CCN(c3ccnc(C)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1301001793 NKMQDWVPBGKBNZ-HSZRJFAPSA-N 457.579 1.948 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1301162872 DUISDHYVTSEEJX-PMACEKPBSA-N 488.633 1.875 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCc2ccccc2C1 1301298075 YCJAYHFOQKHOTE-WIYYLYMNSA-N 474.631 1.680 30 10 JDEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCO[C@H]1C 1301417037 MRZKCXHQQWZRFT-KKSFZXQISA-N 450.561 1.527 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cnn(C)c2)CC1 1301520320 DVVGQZHPRJNYQB-UYAOXDASSA-N 456.595 1.559 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1301567529 IIQKOJAACZGWQO-UHFFFAOYSA-N 465.498 1.365 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCN(C(=O)OC)CC2)CC1 1301927288 AVBDCODOYLXXMC-UHFFFAOYSA-N 497.600 1.976 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2C[C@H]2CCS(=O)(=O)C2)c1 1316528554 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30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCC(=O)NCc1ccccc1 1360693364 HMBMSZVXQJZYEF-HTAPYJJXSA-N 473.603 1.725 30 10 JDEE COC(=O)Cc1cc(OC)ccc1S(=O)(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1475260395 ACRGQVAPNVWSMS-LJQANCHMSA-N 457.508 1.362 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1507621557 BSCFDRGZNOUVBO-RDJZCZTQSA-N 455.606 1.015 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507625102 GHRIYHPIELNMHU-GOSISDBHSA-N 489.598 1.457 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1507636604 BHMMJWTVZJQKLC-BBWFWOEESA-N 454.618 1.524 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1507637485 BFBAXQBXHFNZLI-LJQANCHMSA-N 484.582 1.270 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCC(=O)N[C@@H](C)CC)CC1 1507737845 GJPPMXWDFRKCPJ-INIZCTEOSA-N 483.573 1.276 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1507917132 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C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1539068020 OILSEMYHGJSYDC-GOSISDBHSA-N 497.625 1.996 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1539203265 OQBPPMCULAPISZ-WOJBJXKFSA-N 499.641 1.673 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1539206477 PTGYHMAQQXBIHO-IMSXRSKXSA-N 493.674 1.820 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1539206653 UDBPDRDBISLUMZ-PGRDOPGGSA-N 466.604 1.251 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](SC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539229321 BMHFGLLESQEXFA-DLBZAZTESA-N 467.661 1.805 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1539408908 HSGGLOYNNNISHD-KRWDZBQOSA-N 455.485 1.418 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4ccccc4o3)n2CCCNS(=O)(=O)CC)CC1 1539470187 LHEPSYSWUHPIPW-UHFFFAOYSA-N 498.609 1.987 30 10 JDEE C#CCSCCn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539531189 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C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1690013212 FWCPOLVATQDGPH-IBGZPJMESA-N 486.536 1.126 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2cccc(F)c2)CC1 1690047827 ZUPWYSNPDJLJTO-NRFANRHFSA-N 485.585 1.945 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1690101213 SFFZRGFCJFYNDP-INIZCTEOSA-N 470.555 1.647 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(OCCOC)CCOCC2)CC1 1690364215 LTTAXBKJCNZTKG-QGZVFWFLSA-N 457.597 1.257 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)cc(OC)c1)C1CC1 1690544921 FWYYXDVQORVSNF-IBGZPJMESA-N 465.551 1.962 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(CC)CCS(C)(=O)=O 1690663044 KGIPMEAQAVQHLX-UHFFFAOYSA-N 470.393 1.881 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690665794 PVJCGRQHBWISMP-HSZRJFAPSA-N 456.547 1.617 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1690720676 PRKIZXACZPDWBP-LJQANCHMSA-N 468.583 1.913 30 10 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30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1705696349 GEVFJLVPIUXFIY-OYSTVDSJSA-N 452.625 1.542 30 10 JDEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705720249 HYVDBRYLHOOSFE-UHFFFAOYSA-N 459.982 1.648 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1705939220 UVWFWXYZCVMSPL-VXIBKDFQSA-N 465.620 1.512 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705939570 GKMZQUMBHGJHDW-UHFFFAOYSA-N 467.559 1.431 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1cccc(CN2CCOCC2)c1 1706848707 HDLHTGWMIUJHRW-MSOLQXFVSA-N 475.619 1.507 30 10 JDEE CC(C)(C)[S@](=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1706933552 HMKKCXOPQMCTLY-RSUSJTHISA-N 486.664 1.288 30 10 JDEE Cc1nn(C)c(C)c1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1707799983 GRELJLUYQXTUTH-QGZVFWFLSA-N 455.544 1.476 30 10 JDEE CN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1)CC(F)(F)F 1711210001 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30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC[C@@H]1NC(=O)NC1=O 1286758460 OBXGTZSACBGGGU-DLBZAZTESA-N 489.577 1.753 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cn2ccccc2n1 1286758594 RSAXIHANVNPVNA-IBGZPJMESA-N 471.587 1.680 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](COC(C)C)C1 1286790731 WFLYUIIOBFRWBI-IBGZPJMESA-N 453.547 1.449 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(c2nc(C)no2)CC1 1286813839 DHYIOZYHEXZAMR-UHFFFAOYSA-N 463.564 1.190 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1286814488 ASCXFZMHWWNHGO-WIYYLYMNSA-N 470.599 1.574 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H]1CCCCO1 1286819240 DWNRUZDACRSMGA-OAHLLOKOSA-N 451.549 1.612 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1286831724 JWDXAEDIRADASN-QZTJIDSGSA-N 481.648 1.605 30 10 JDEE CC(C)NC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1288227452 BROSTNFJESSMOE-OAHLLOKOSA-N 459.576 1.454 30 10 JDEE C#CCN(C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC)C1CCN(C)CC1 1289195384 KGOSDMLYAVMXQN-UHFFFAOYSA-N 459.616 1.795 30 10 JDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCSC1 1297667720 HSCFFAVSLXVESN-IERDGZPVSA-N 479.628 1.856 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1300492046 LHIVOKCRICSGAC-VQTJNVASSA-N 476.647 1.115 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1ccc(C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1300492960 PTAYFNYNNXYFAR-LJQANCHMSA-N 499.572 1.183 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CC1(O)CCS(=O)(=O)CC1 1300643203 YGVGKXXVVUJKHK-UHFFFAOYSA-N 489.573 1.233 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2N(C)CCCC2(C)C)n1 1300681576 UJVOOROTIKEXPS-SFTDATJTSA-N 482.633 1.832 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(C)(C)O)c2)CC1 1300710732 JMBAIOOMAQUKLR-UHFFFAOYSA-N 466.586 1.658 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC2(COC)CCOCC2)CC1 1300719503 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459.553 1.851 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(F)cccc1F 1358891063 ZATBEURKBAMECQ-KDOFPFPSSA-N 453.515 1.590 30 10 JDEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(S(C)(=O)=O)CC1 1358915415 BWWLLXJAPHYMLP-UHFFFAOYSA-N 499.685 1.528 30 10 JDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1358931619 HPDCEDHLZMIXJO-UHFFFAOYSA-N 452.559 1.464 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCn1cnc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1358955207 HCXMHQDGWULXEZ-LJQANCHMSA-N 497.625 1.873 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccoc2)CC1 1359031924 ULSSITZQTHNVQP-UHFFFAOYSA-N 454.556 1.592 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1359040478 WNGVXXAYBBSKIP-FPOVZHCZSA-N 473.599 1.209 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(COC)CCOCC2)CC1 1359041800 IVZOHXOXHZKCDE-VWLOTQADSA-N 489.617 1.339 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359051064 LETIGXDTZHGSGY-GOSISDBHSA-N 482.653 1.728 30 10 JDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC2(CCOCC2)C1 1359223007 YGBKLMFNTMDWFO-INIZCTEOSA-N 459.638 1.583 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1359300629 GUVMHNGJUBSXRQ-QFBILLFUSA-N 492.602 1.119 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCS(=O)(=O)N(C)C)C1 1359320158 MOZYBBVURVIAJR-HNNXBMFYSA-N 473.559 1.267 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](OCC)C1 1359330828 DTGQSONNOBBHIS-KRWDZBQOSA-N 486.598 1.798 30 10 JDEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)cn2)C[C@@H](C)O1 1360446833 DOISYVNBADMOKP-JZXOWHBKSA-N 450.499 1.382 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCc3cccc(CNC(=O)OC(C)(C)C)c32)C1=O 1437770063 OMNKYFCQRJDPFS-UHFFFAOYSA-N 456.499 1.967 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1502426599 GSPVOSPHTJHIKK-OAQYLSRUSA-N 478.601 1.333 30 10 JDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1504531033 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C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1540902824 RHYLBHGMAARBMM-INIZCTEOSA-N 460.622 1.176 30 10 JDEE CC(=O)N1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1540947086 DLDRVXDQPCEUIU-INIZCTEOSA-N 473.603 1.655 30 10 JDEE CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1557060953 GHLVCJKHECGSGV-QTGUNEKASA-N 470.595 1.878 30 10 JDEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1569207547 LDEFQXRPIPZCKC-PMPSAXMXSA-N 459.362 1.442 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1587640593 UKMDIUZIXFKZFM-YRPNKDGESA-N 480.679 1.825 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1588034111 BDIRJTJUTZGVMU-SJORKVTESA-N 477.562 1.710 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1588034671 KFTAQOLEKAUFBC-CQSZACIVSA-N 493.391 1.332 30 10 JDEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1588045058 GLBIJMKKDWAEDR-FZEVHQGJSA-N 471.608 1.889 30 10 JDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1593758152 WIXCCUCKSIBSAO-SFHVURJKSA-N 451.535 1.389 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1594784306 WJQMQGVQVXTHSG-SFHVURJKSA-N 466.608 1.111 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCN2CCOC[C@H]2C1)C(C)C 1595166011 PHVMBMNSMUWKBE-IFMALSPDSA-N 452.607 1.955 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1595303674 XVANSTKHSNLNIU-GOSISDBHSA-N 453.609 1.612 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(O)CCS(=O)(=O)CC1 1595303799 ZNJZXPSKZVCPNN-LJQANCHMSA-N 478.571 1.369 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1595507152 XUQIWEWMEVURMD-UHFFFAOYSA-N 497.600 1.009 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1595536732 GHPGEUBJNKGRHG-GOSISDBHSA-N 484.536 1.461 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1595556103 NYCRRTVYIHKACV-UHFFFAOYSA-N 482.557 1.310 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1595561805 CIYHZMLQBLEADW-UHFFFAOYSA-N 452.588 1.653 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@](C)(O)C1CC1 1611713197 GAYLEJGPUDMHAL-VQPPSCEASA-N 474.587 1.499 30 10 JDEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCCS1(=O)=O 1613828099 HMKDRBIGWVLIKJ-SFHVURJKSA-N 460.560 1.184 30 10 JDEE COc1cc(/C=C2\Oc3cc(OCC(=O)N[C@@H](C(=O)O)[C@H](C)O)ccc3C2=O)cc(OC)c1OC 1613915504 DQLYNGNINHYVRH-STBGKDAVSA-N 487.461 1.658 30 10 JDEE CCCN1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1614847320 BBNDZYBBVUPMNT-QHCPKHFHSA-N 472.615 1.677 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC(F)(F)C(F)(F)F)cc2)CC1 1623224027 PUSMPBBNVALEHW-UHFFFAOYSA-N 456.393 1.838 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)CNC(=O)c2ccccc2I)CC1 1633880382 MANSUEJRRGXIFU-UHFFFAOYSA-N 453.280 1.009 30 10 JDEE COCCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)Cc1ccc(C#N)cc1 1641695864 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JNGOXQNJZLBIBV-UHFFFAOYSA-N 484.601 1.448 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1690142074 HMRRDLJNVYTHQD-UHFFFAOYSA-N 486.580 1.889 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1690175194 RNOJNAKMVAABPN-VQTJNVASSA-N 460.625 1.995 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCS(=O)(=O)Cc1ccccc1 1690190460 VNQQGEDGSHFFBQ-XMSQKQJNSA-N 493.655 1.886 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1690527944 UZBCPFZBUMSIKK-CTNGQTDRSA-N 491.614 1.758 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](Cn2cccn2)C1 1690725218 IQJLLASGSKLFPU-LJQANCHMSA-N 474.562 1.711 30 10 JDEE CC[C@@H](C)NC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1694227586 BNRMMZYDKPFDNF-SJLPKXTDSA-N 481.623 1.046 30 10 JDEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)NC(C)C)CC1 1695897995 CTAZTEUPZATQCM-UHFFFAOYSA-N 452.607 1.805 30 10 JDEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccnc2OCC(F)(F)F)CCO1 1698492839 GEEFBUGPCFPAKA-UONOGXRCSA-N 451.409 1.342 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(O)CCSC2)c1 1705505286 LAIHDUUWQMCUTO-VGSWGCGISA-N 454.556 1.153 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(NC(C)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1705563878 HIORHARVARONDB-LJQANCHMSA-N 465.539 1.369 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NC1CCCCC1 1705576608 NQVFVCZKCWIZSP-UHFFFAOYSA-N 457.542 1.833 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C(F)(F)F 1705582957 NLTASSDLWIVKRS-SFHVURJKSA-N 481.500 1.751 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC1(O)CCOCC1 1705584961 FKRAUEXSEQXYDG-UHFFFAOYSA-N 476.625 1.647 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN2CCCO[C@@H](C)C2)CC1 1705634997 OKBKZGWCMUOMKF-XUZZJYLKSA-N 460.623 1.186 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](Cn2cccn2)C1 1705890938 QNKCHPLPEKCWMK-ROUUACIJSA-N 459.551 1.874 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1705895969 YMFLGLUKFDOUSE-VBKZILBWSA-N 479.379 1.733 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1705901278 HOJTZQBRGAMKGO-OAHLLOKOSA-N 479.372 1.560 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705906058 QRTPZXXQIJERRJ-SFHVURJKSA-N 499.641 1.760 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705907860 ZXNQIHHJICKIFX-OAQYLSRUSA-N 479.629 1.498 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C)C1 1705931367 NUEIEMQCCLTWKQ-MRXNPFEDSA-N 483.616 1.021 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](COCC)C1 1705934485 NVDNRSFVEAWTGT-MRXNPFEDSA-N 465.576 1.860 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705936834 ZIBFCRXGQLXRHF-UHFFFAOYSA-N 450.565 1.057 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1705936891 AKWKXLNQNRRPKY-NPPFBWRTSA-N 461.588 1.637 30 10 JDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C1 1706034823 HOOWZNGTLQJHAD-FQEVSTJZSA-N 470.599 1.994 30 10 JDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H](C)O1 1708233996 FOIOHTUWAYSITJ-CALCHBBNSA-N 475.571 1.282 30 10 JDEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)cn1 1712465120 HIVVVWFANMVUFO-IAGOWNOFSA-N 471.587 1.966 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1722281340 YDSUJIYZFLLKEM-NXEZZACHSA-N 467.905 1.800 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)c2ccccc2C1 1722332409 KNYFNQQCWRWUPK-FQEVSTJZSA-N 458.588 1.481 30 10 JDEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1722334087 AODMLDNHLCXMPL-UHFFFAOYSA-N 462.558 1.057 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1722358548 DATFYXANVIBDTI-SFHVURJKSA-N 470.555 1.905 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722360267 FSRKQEVRLUFDCH-SFHVURJKSA-N 491.618 1.562 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1722360529 UYMLUMJGRJZERM-OAHLLOKOSA-N 467.954 1.891 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722365539 MRLZEKUZEIPAPN-DKZVUGQWSA-N 479.002 1.689 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(C(=O)NCC)c1)[C@H]1CCS(=O)(=O)C1 1722370521 CESJNJJCKMCIAP-FQEVSTJZSA-N 455.584 1.655 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1722371506 JPEZGELRYLOQSZ-IBGZPJMESA-N 465.539 1.137 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1722380142 FQKVJPZUNARPRH-VWLOTQADSA-N 457.538 1.616 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2OCCC2(C)C)n1 1722428831 BJIKYXVZGLUOCD-UYAOXDASSA-N 490.630 1.478 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCN(CCC)C2)CC1 1722433609 BVLKFCKFYYPTFU-FQEVSTJZSA-N 470.643 1.836 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1722436663 JXFWQXYWMMNBAG-GBESFXJTSA-N 471.606 1.630 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN(C)C2CCCCC2)CC1 1722445332 VBGYKMZKQWSRGM-SFHVURJKSA-N 493.678 1.119 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC2CCN(C(C)=O)CC2)CC1 1722446336 SCNPHDMJLXLGRI-UHFFFAOYSA-N 463.586 1.873 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[S@](=O)C(C)(C)C)CC1 1722453388 RRGYCFLQNNMMAX-IQAJRQQCSA-N 479.647 1.515 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722453617 ACAMTQQDUWJXRU-NRFANRHFSA-N 459.597 1.431 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2ccnn2)CC1 1722490600 BCYYUNNDWDCRDW-QRQLOZEOSA-N 478.623 1.378 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccc(O)c2)CC1 1722729940 BUHTZFVYTANOMK-UHFFFAOYSA-N 485.614 1.773 30 10 JDEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1722736307 YEUCDYOWVNPOPG-NRFANRHFSA-N 453.576 1.802 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@](C)(O)c2ccccc2)CC1 1740703601 YGWNIDOTTUZTAJ-FTJBHMTQSA-N 481.597 1.804 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1740704322 LQNOZKICVPPYIK-UHFFFAOYSA-N 489.584 1.786 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1740717058 IEVAVIWOCRWMKA-WMZOPIPTSA-N 464.617 1.341 30 10 JDEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740745858 IFRRIRRIWSWANM-HXUWFJFHSA-N 474.363 1.987 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1740778674 QQEGYNJDTAQYQQ-LJQANCHMSA-N 474.631 1.930 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1740965732 LNNQPGJKUNWWTB-WSTZPKSXSA-N 457.579 1.810 30 10 JDEE CN(C[C@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1747869125 CWQNWDJOEBKTRX-OAHLLOKOSA-N 452.437 1.880 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2[C@H]2C[C@@H]2C)c1 1748692017 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C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cnn(CC(C)C)c2C)CC1 1748977788 CWUDFSJPONHSOG-XMMPIXPASA-N 455.607 1.895 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@]2(O)CCSC2)CC1 1748999774 FTLNCJWLICQYLQ-HSZRJFAPSA-N 457.600 1.879 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(C)C)CC1 1749132186 ZOQZGNIJBOSCET-NRSPTQNISA-N 496.678 1.559 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1749242010 ZAEAUCQDTORWNL-ROUUACIJSA-N 478.594 1.894 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1749286365 JDRSBGSGJCUUJP-QGZVFWFLSA-N 476.603 1.560 30 10 JDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1749452306 VHEGARHNSYUEPK-LJQANCHMSA-N 476.603 1.564 30 10 JDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC2(CCOCC2)O1 1752387016 AYYSGDOVKKBGHB-MRXNPFEDSA-N 490.511 1.884 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C)N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1760183269 PSDQBONSQLEIEN-RTBURBONSA-N 450.653 1.228 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1cc(C(F)(F)F)ccn1)[C@@H]1CCS(=O)(=O)C1 1760187167 IJLCVFCBUIPNGI-SJORKVTESA-N 496.515 1.512 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN1CCCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760190779 YXXKFWZFRLIFJT-RTBURBONSA-N 460.604 1.401 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1760192565 KAGWCCIYTHAWAA-XUVXKRRUSA-N 489.646 1.585 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCC[C@@H]1CO 1760208785 JOBNDLALEZNABS-HSZRJFAPSA-N 462.598 1.884 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1760280150 CWQSNGNFFFGJEI-MSOLQXFVSA-N 483.660 1.109 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1760281693 PVLFMZYJJPIKFD-IRXDYDNUSA-N 454.618 1.321 30 10 JDEE C#CCSCCn1c(CC(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1760283035 ZJKHHWSLAHUCLT-SFHVURJKSA-N 455.650 1.474 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1760313358 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C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286505453 ACEOGWGTUGSBNW-UHFFFAOYSA-N 482.654 1.988 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC2(CC1)OCCO2 1286509510 ROXALVCUMIMEER-SFHVURJKSA-N 499.659 1.099 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(OC)n2)CC1 1286540856 FDRYDUMCPRMANV-AWEZNQCLSA-N 498.407 1.214 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1286667069 ODLNTXPDIVAGSD-SQNIBIBYSA-N 454.641 1.648 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286796487 SUMDXLJYRKMAJU-SJLPKXTDSA-N 497.643 1.515 30 10 JDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1297963300 CVBNTKZQIRNACT-HXUWFJFHSA-N 465.558 1.513 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1300364479 KOLZEKZLJKHWDC-UYAOXDASSA-N 497.687 1.815 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1300483474 LSHFGGKCZFPRFP-UTKZUKDTSA-N 462.597 1.448 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300487932 NKUYJYOROHJZQD-SJORKVTESA-N 476.603 1.824 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)CC1CC1 1300535939 QUOOVLHVCMKIRP-UHFFFAOYSA-N 467.599 1.350 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc(C(C)(C)C)s1 1300671705 MRYQAVCPBCPZCR-CQSZACIVSA-N 452.606 1.464 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2SCCc3ccccc32)CC1 1300682648 IAOISBJXHJJRBG-YLJYHZDGSA-N 474.656 1.674 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCOC(F)F)CC1 1300723400 UFMARVQCYBQIQE-UHFFFAOYSA-N 499.522 1.787 30 10 JDEE C=C(C)COCCn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1[C@@]1(OCC)CCOC1 1301001011 AVZGQBARENEXCU-JOCHJYFZSA-N 461.542 1.779 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(F)(F)Br)CC1 1301086555 LUCNHPKUEXRXBJ-GFCCVEGCSA-N 470.340 1.755 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2OC)CC1 1301222985 KSQSCLBGDDXOME-OAQYLSRUSA-N 490.630 1.912 30 10 JDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(NC(C)=O)nc2)CCO1 1301403724 AHQDVVJCGDQEJJ-OAQYLSRUSA-N 477.525 1.982 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1301474501 AUHBLDLGBAQQHZ-UHFFFAOYSA-N 466.542 1.621 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2oncc2C1 1301503306 YOVGZUOPGWWNOO-MRXNPFEDSA-N 473.534 1.439 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CCC)CC2)C1 1301556718 JARTXWOIIUBRPD-ZWKOTPCHSA-N 453.609 1.973 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1301584485 BFSNLGFOOOQXTR-KRWDZBQOSA-N 474.587 1.522 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN2CCCC2)CCO1 1301898033 BHNXDGCWVDFLNN-AVRDEDQJSA-N 451.575 1.890 30 10 JDEE CC[C@H](C#N)Oc1cc(CNS(=O)(=O)c2ccccc2S(=O)(=O)NC)ccc1OC 1309182048 CPZMZPHCOHAHAC-OAHLLOKOSA-N 453.542 1.763 30 10 JDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1313497539 GJFFUBSVIFAQEN-SFHVURJKSA-N 466.546 1.295 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(CC)C(C)C)CC1 1313987949 CUGZRMCLFPMNNQ-UHFFFAOYSA-N 452.607 1.805 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCc2noc(CC)n2)c1 1358900614 OPNURGPNONWAAG-UHFFFAOYSA-N 464.530 1.661 30 10 JDEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1358914419 SXYBZHXWIACYCH-UHFFFAOYSA-N 452.534 1.739 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)COCC2)[C@H]1CCS(=O)(=O)C1 1358955638 QHWWQJBVXVGXRJ-FQEVSTJZSA-N 471.583 1.164 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1358955915 WCAIUIQXYOFSLE-SFHVURJKSA-N 487.582 1.206 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1358957875 BSWDZRGZONXNLM-ICSRJNTNSA-N 492.623 1.548 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN(C)S(=O)(=O)CC 1358994142 GFFDPWTUFURLBJ-NRFANRHFSA-N 471.583 1.925 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNS(C)(=O)=O 1359009091 HZYZKAOLDRIPRE-QGZVFWFLSA-N 468.624 1.791 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCc2ccn(C)n2)CC1 1359031080 PDDASMWZVDJKBG-UHFFFAOYSA-N 457.380 1.778 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1359051123 MJHYIDOJFYOHLO-JOCHJYFZSA-N 490.655 1.524 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cncn2)CC1 1359083294 GYVTYXADIDUDAZ-OAHLLOKOSA-N 470.397 1.597 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CC1(O)CCS(=O)(=O)CC1 1359257726 UAFVMZOCZKSAHC-UHFFFAOYSA-N 473.599 1.646 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1359284375 KWUFALXXIVVDCU-UHFFFAOYSA-N 473.603 1.719 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1359291210 IEXHWLIEYOQWMY-KRWDZBQOSA-N 453.547 1.541 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)C)CC1 1359301015 PFAAJEOAULVBPF-SFHVURJKSA-N 477.610 1.419 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CCCS2(=O)=O)C1 1359315002 MNBHKJMSJIDEIA-GOSISDBHSA-N 477.587 1.779 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2cn(-c3ccc(Br)cc3)nc2C)CC1 1443358857 UTEBFGOMPYAUCS-UHFFFAOYSA-N 458.360 1.841 30 10 JDEE COC(=O)CNC(=O)[C@@H]1CCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 1473563089 ADXMFADDYOUPHL-IBGZPJMESA-N 455.490 1.797 30 10 JDEE C#CCN(C(=O)NC1CC(NS(C)(=O)=O)C1)[C@H]1CCOc2ccc(Br)cc21 1478502568 CNYOANDDPCOIMY-XUJLQICISA-N 456.362 1.998 30 10 JDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCN(C(C)=O)C1 1499328559 HOAWSXIEEWLAGG-TZIWHRDSSA-N 465.558 1.702 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1503264473 DLDMMVSQCYWAQE-LJQANCHMSA-N 471.587 1.299 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(NC(=O)OC)c1 1507538467 MOSOQKALEUMPIY-CRAIPNDOSA-N 476.559 1.296 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1507622398 IJKBUXVPKGQVCN-GOSISDBHSA-N 494.581 1.449 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1cccnc1)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507631078 BDKCGZPXALUMQA-AQNXPRMDSA-N 470.599 1.691 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1507640369 QOIIAOOBFCKYPG-FQEVSTJZSA-N 468.583 1.997 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)c1ccccc1 1507654166 XBINNWLMXCQLSD-CTNGQTDRSA-N 455.584 1.878 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1S(=O)(=O)N(C)C 1507658553 MAANRNDNRFZNRE-UHFFFAOYSA-N 491.577 1.687 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC2(CCCCC2)O1 1507670773 BTZTVGJMDDBBFK-RTWAWAEBSA-N 489.642 1.956 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCN(C)C2)CC1 1507731389 HEPVAWSRFRJWJR-NBGIEHNGSA-N 487.649 1.214 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@]2(N3CCOCC3)CCSC2)CC1 1507742813 QORMQXGBPNGHHW-DEOSSOPVSA-N 474.675 1.650 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1507772180 IHYIJARHHICQOK-DNVFCKCGSA-N 476.647 1.115 30 10 JDEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C(=O)NC)C1 1507958264 SFESTMYPOICUJE-INIZCTEOSA-N 467.368 1.590 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1 1508009267 XBKZHRUQHBZRQU-FQEVSTJZSA-N 489.577 1.725 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1508075026 OEAFAOFHIOPGHK-YLJYHZDGSA-N 485.614 1.521 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1508079610 AIXVUAWHWZCZCQ-MRXNPFEDSA-N 488.618 1.035 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(F)cc(OC)c2)C1 1508108055 DKKKTMYGZHORRS-PBHICJAKSA-N 453.540 1.866 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1508163007 SXOJRCQFENGLCH-MJGOQNOKSA-N 495.675 1.648 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCc1ccccn1 1510226579 DZLXLWHKKWFEJW-LAUBAEHRSA-N 481.582 1.976 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CC1 1517123371 CLJYMASQYIQNDB-SIKLNZKXSA-N 474.587 1.280 30 10 JDEE C=CCO[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)C1 1534785081 SZEHSPZJPOBEBQ-GOSISDBHSA-N 451.589 1.971 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCO[C@@H]2C)c1 1539045194 AOZIKMPJQCTBEX-CJAUYULYSA-N 460.538 1.860 30 10 JDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1539147545 BVEVERQJHLCNGP-HOTGVXAUSA-N 454.597 1.605 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1539204735 CPDSFERLJPJERK-CEXWTWQISA-N 490.582 1.129 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1539212305 UMEJVROFOTTWER-OAHLLOKOSA-N 471.004 1.660 30 10 JDEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1539212520 PUTPXSQJNMJVCG-MSOLQXFVSA-N 497.415 1.996 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539215362 ANNTZQHZFQOQCP-INIZCTEOSA-N 470.521 1.769 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1539229888 JHWIJPXROLPSGK-RTWAWAEBSA-N 473.647 1.498 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1539436459 SSHMVDNXVLINPS-QGZVFWFLSA-N 463.995 1.173 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCN2CCN(C)C(C)(C)C2)CC1 1539444182 IKDIKPMEEAYBGW-UHFFFAOYSA-N 451.619 1.735 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(NC(=O)OC)c2)CC1 1539446857 KNGXLVRVDSGJKO-SFHVURJKSA-N 472.571 1.162 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC2(CS(C)(=O)=O)CC2)CC1 1539481784 FIYCMHIVCCFADT-UHFFFAOYSA-N 470.599 1.055 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1539630204 CZSRYGHZAIEOTF-OTWHNJEPSA-N 478.619 1.722 30 10 JDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539706425 HDVPDABWELIABY-IRXDYDNUSA-N 484.623 1.633 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(CC(C)C)C1 1540073679 SGILCAKMNUBQBF-RBUKOAKNSA-N 454.641 1.601 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)C(C)C 1540151474 IANMATJIZVLTCA-KHCICDEESA-N 471.606 1.959 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1540867439 WJDLIJDQRWTVPE-UHFFFAOYSA-N 459.558 1.565 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS[C@@H](CC)C1 1540869216 FRRQLLCBYNUUFI-HNNXBMFYSA-N 453.572 1.826 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)CC1 1540874643 NLWVEOXQTUVZQC-UHFFFAOYSA-N 465.558 1.332 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCCN1CCOCC1 1541920766 DBOBIHKHCYZEDI-LJQANCHMSA-N 499.641 1.776 30 10 JDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCCS2(=O)=O)cc1C 1542430741 FMQMNWZDZPZECS-RBUKOAKNSA-N 472.571 1.843 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c1 1546133022 DADMZLAFYWODCQ-LJQANCHMSA-N 453.586 1.065 30 10 JDEE CCNC(=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)CCC1 1547754707 GFQLPSGGEUALEK-LJQANCHMSA-N 470.599 1.995 30 10 JDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@@H](C)[C@H]1C 1552408903 HOJCIFGGHMRCJW-CVEARBPZSA-N 464.617 1.998 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588030169 PUGVYUBDAYNVBZ-DOTOQJQBSA-N 457.622 1.095 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588059323 LVRWMECBNMZUHO-MRXNPFEDSA-N 477.537 1.300 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1588070276 XXFSIQVMQWOWIB-WOJBJXKFSA-N 459.620 1.251 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC(F)(F)F 1588084428 QXOGCMMLVJUGPG-CQSZACIVSA-N 455.462 1.908 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1588908716 VMQGXELLUXZECQ-OFNKIYASSA-N 497.596 1.980 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)NCCC)CC1 1588947727 UZPPNSKPMLBFLX-UHFFFAOYSA-N 458.513 1.639 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(S(N)(=O)=O)cc1 1589216873 ZKBACJZKIQMLNP-DYESRHJHSA-N 477.612 1.062 30 10 JDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1593763297 GHEPWRJVGLMMOL-UHFFFAOYSA-N 484.605 1.003 30 10 JDEE C=CCNC(=O)Cn1c(N2CCOCC3(CC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595602118 FJKVEAWYASGYJR-CALCHBBNSA-N 460.579 1.968 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1595765800 GUUQZSOJDMHTKR-MAUKXSAKSA-N 465.532 1.694 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CCOC2)C1 1595766594 USRJXPGNZWHHCA-NRFANRHFSA-N 480.612 1.566 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1595788727 IADUBTAOUJJNKU-UHFFFAOYSA-N 471.518 1.328 30 10 JDEE CC(=O)N1CCN(CCn2c(N3CCN(c4cc(C#N)ccn4)CC3)nnc2C(C)(C)C)CC1 1596296110 BMAZSSXBHIFDHR-UHFFFAOYSA-N 465.606 1.333 30 10 JDEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)(C)C)CC1 1596297288 ODRDVHSLDCVTPA-UHFFFAOYSA-N 496.616 1.244 30 10 JDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 1602752104 HYGLPTOFHMKJEE-JQHSSLGASA-N 462.572 1.940 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCCC1 1617907313 CDZMDBJISOYWCL-SFHVURJKSA-N 456.572 1.734 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)OC(C)(C)C)c1 1626332757 MZLKHOYFBJYQIQ-KRWDZBQOSA-N 455.554 1.065 30 10 JDEE C=CCn1c(SCC(=O)N(CC(N)=O)CC(N)=O)nnc1-c1ccc(Cl)cc1Cl 1626928668 IHNAWMWVGKMPOX-UHFFFAOYSA-N 457.343 1.329 30 10 JDEE C#CCN1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2CC)CC1 1631503935 NFSNSQRTEOHAPA-UHFFFAOYSA-N 459.616 1.797 30 10 JDEE C#CC[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1684304644 PRZSTBCUXHZWSL-GFCCVEGCSA-N 450.380 1.565 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](F)COC)c1 1689871760 DSVUVORGDVZCCO-DLBZAZTESA-N 463.535 1.221 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1689916270 FIAWWUYSRZGDPW-FQEVSTJZSA-N 483.598 1.711 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1689982861 WAUJIXPYXWFASU-AUSIDOKSSA-N 474.583 1.699 30 10 JDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1689987916 FGXNSUWXXXDIFT-HXUWFJFHSA-N 468.583 1.919 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N1CCOCC1 1690103476 DHKDTIXSAHUTKB-YADHBBJMSA-N 487.626 1.340 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1690154257 LVPGLHGGUWMXMO-INIZCTEOSA-N 458.592 1.180 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1 1690245668 LHLOGPPVANFGQV-XWSJACJDSA-N 490.605 1.879 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccn(Cc2ccccc2)n1 1705495129 KWUUIHLDWLRRSQ-WIYYLYMNSA-N 483.598 1.362 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(O)CCSC2)c1 1705505285 LAIHDUUWQMCUTO-VGOFRKELSA-N 454.556 1.153 30 10 JDEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1Cc1cn(C2COC2)nn1 1705555824 BGVSAWAOBRSIBR-UHFFFAOYSA-N 458.320 1.900 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1705561176 NXEVTKGHYAPFDH-DXIQSLLYSA-N 464.588 1.291 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)c2ccco2)cc1 1705573940 QWWAOKBLGDVTRB-KRWDZBQOSA-N 480.550 1.855 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cn(CCCC)nc2C)CC1 1705648846 ARSXDEXJPDWKAZ-UHFFFAOYSA-N 463.590 1.998 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1705658629 VZQGLFKXUVEMLX-UHFFFAOYSA-N 466.571 1.587 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1705894691 HPULRNPODFLHDG-IBGZPJMESA-N 453.547 1.554 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1705899192 KRLRDIASENVDPX-QGZVFWFLSA-N 483.573 1.013 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705937984 KHKSJRDJRCFXGH-GOSISDBHSA-N 474.587 1.056 30 10 JDEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOCCCO)C[C@@H]2C)CC1 1705982742 LLNFVCVSTBCLAC-GBXCKJPGSA-N 495.628 1.595 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1cccc(C(F)(F)F)n1 1706889628 HQCSOEJJUHNNOF-OLZOCXBDSA-N 489.480 1.110 30 10 JDEE C#CCN(c1nnc(COc2ccc(Br)cc2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1722372310 UFUOKEMUUUVJCK-INIZCTEOSA-N 495.399 1.771 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCC(=O)NC1CC1 1722380723 WCQQUOCIOGYCSP-UHFFFAOYSA-N 457.538 1.807 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2(S(C)(=O)=O)CCCC2)CC1 1722430617 GXCIWPPYEPBKAJ-SFHVURJKSA-N 453.609 1.115 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN2CCCCCC2=O)CC1 1722432564 BAHNMEDTZBOJEG-VWLOTQADSA-N 472.634 1.867 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1722436282 BVEOLJMLRYQJKR-JOCHJYFZSA-N 452.603 1.916 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC=CCO2)CC1 1722437453 MWMHYWZRIVZVJU-VQTJNVASSA-N 472.590 1.687 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(=O)NCC=C)CC1 1722443463 SYVFDWRGQGXYFQ-UHFFFAOYSA-N 466.542 1.230 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722468739 PDZHWSVZBJSAMT-BWAGFHJFSA-N 465.620 1.592 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1722473481 FKIIGWKCNXXRAN-IUBSTNSRSA-N 492.690 1.971 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722509385 OXMVOUMAWBMUKM-NFBKMPQASA-N 460.623 1.439 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1722519164 MOOYIIFSUJICEC-DZGCQCFKSA-N 451.549 1.535 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1722523261 LCJRDUCQIYORKG-SJORKVTESA-N 465.580 1.338 30 10 JDEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722527476 KPTMEZVAKCVYRH-KRWDZBQOSA-N 465.624 1.937 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(C(N)=O)c2)CC1 1722580221 BKPRGDVKAYWRDW-HXUWFJFHSA-N 488.614 1.355 30 10 JDEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722619200 UTBKZEQOJDIQNT-UHFFFAOYSA-N 459.620 1.581 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)NCC)CC1 1722730683 ZWSRBFHFHJMRSE-UHFFFAOYSA-N 485.614 1.803 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C)C1 1722749689 IUVXGIYBNMDETF-INIZCTEOSA-N 467.617 1.642 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCSC2)c1 1740561323 BAWPEJACOQRCFP-WBVHZDCISA-N 476.628 1.698 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@](C)(O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1740620222 CIEMYYDNTSHJJD-OPAMFIHVSA-N 486.985 1.923 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(OCCOC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740620988 YZQPGQNTTSBNGV-LJQANCHMSA-N 492.598 1.685 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1740624203 DOBCTZLKFBOPCU-AUSIDOKSSA-N 470.599 1.694 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1740624205 DOBCTZLKFBOPCU-WMZHIEFXSA-N 470.599 1.694 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1740625469 NXTIVKHIRVZPIM-SIKLNZKXSA-N 481.018 1.937 30 10 JDEE C#CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 1740627245 OTYKKIXZXOAOBF-SJORKVTESA-N 465.576 1.548 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](CC)N1CCc2ccccc2C1 1740632324 ZUCBZJCHXZGBJE-KNQAVFIVSA-N 468.627 1.798 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2C[C@@H]2CCCS(=O)(=O)C2)n1 1740688110 ALPIDLNFOUSTHH-SFHVURJKSA-N 460.604 1.853 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C)CCOCC2)n1 1740688987 NAOLMXZAZUJLEC-IBGZPJMESA-N 490.630 1.480 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 1740690343 ISONFHOTUHCAKU-IPMKNSEASA-N 466.652 1.485 30 10 JDEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCNS(=O)(=O)CC)CC1 1740700383 QQHNNWQJUTYAJL-UHFFFAOYSA-N 483.063 1.918 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCS(=O)(=O)NC)CC1 1740701966 SXJIVZUAFXAKND-UHFFFAOYSA-N 486.642 1.758 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](COC)C1 1740716849 BLBAFBDIQQMNSV-ZWKOTPCHSA-N 481.619 1.805 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCCCOC)CC1 1740782628 JKZAVINHRMXYLV-SFHVURJKSA-N 457.597 1.209 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1740865112 RYBBBDPPGXXVOG-YADHBBJMSA-N 494.706 1.768 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccn(C)n1 1740916230 HOZWTKYUIYJDFQ-NRFANRHFSA-N 496.597 1.457 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740923289 IJWZNZDPFSUOPE-IAGOWNOFSA-N 499.684 1.716 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)NCCCCC)CC1 1740946848 JSCQPGIGPURUFQ-GOSISDBHSA-N 468.624 1.320 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(CCC)C(=O)C1 1740992080 MIFIMPURFZNIKI-HXUWFJFHSA-N 489.598 1.840 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1740994436 RJLWQEVTGCDRBL-JOCHJYFZSA-N 470.555 1.046 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1748809868 PZGZILRBKMDFQA-SFHVURJKSA-N 473.599 1.888 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748818765 GAAKXFAEDFFDKJ-NHCUHLMSSA-N 458.632 1.867 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCOCC(F)F)CC1 1748972340 GMSRATKDBNFWHV-UHFFFAOYSA-N 466.920 1.898 30 10 JDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCC(O)CC2)CC1 1748992953 LAZHACNWVMCTOP-UHFFFAOYSA-N 458.557 1.749 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOC2CCCCCC2)CC1 1749004698 LVYWXBBXIGCREB-GOSISDBHSA-N 494.662 1.594 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccco1 1749131014 PKKKENFOGOUFFH-WDSOQIARSA-N 465.576 1.822 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(C)(=O)=O)CC1 1749141389 BMBWCTJXGJBZPX-OKYOBFRVSA-N 469.608 1.065 30 10 JDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1749450262 AIXLAKIJVSXZHW-HSZRJFAPSA-N 455.563 1.819 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1749670815 WNOFUUJNIXFJBD-HKUYNNGSSA-N 492.577 1.046 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@H]3C2)cc1 1749683611 ZHCOOSBTGLXOGP-NVXWUHKLSA-N 476.559 1.142 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1749695460 CDPRUWDQWOYPEM-WZONZLPQSA-N 488.614 1.455 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1749734239 GULBSRCSROIAOO-VXKWHMMOSA-N 489.642 1.629 30 10 JDEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CC1=O 1749857745 CXMLWLAADGVTQL-QGZVFWFLSA-N 451.531 1.013 30 10 JDEE C[S@@](=O)C1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@](F)(C#N)C2)CC1 1750217678 DHFRCLNPAAWUEP-RBSBEOHCSA-N 451.549 1.702 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCN(C(C)=O)CC1 1760119935 FYHNBOIWSQYWLK-QHCPKHFHSA-N 492.672 1.265 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1760366532 BWVIUUSCKNLKBJ-INIZCTEOSA-N 482.010 1.402 30 10 JDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760434351 XPZCTULODRRDMY-UHFFFAOYSA-N 469.571 1.902 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](N2CCCC2)C1 1760440210 DNRHMKGYHIKODX-RTBURBONSA-N 452.625 1.642 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCOC1 1760480130 MAPUYXGWDZXYJO-UGKGYDQZSA-N 457.556 1.396 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1760520846 BGNQQTKDWWKBBW-UHFFFAOYSA-N 459.554 1.842 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1760522352 RNXNLTJZNNKFQP-WBVHZDCISA-N 463.560 1.563 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccccc1C 1760522434 SYIPAXVDUZMPIQ-WOJBJXKFSA-N 488.614 1.563 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCOC(C)(C)[C@@H]1C 1760526515 AXAHDAQCKVPYGG-NRFANRHFSA-N 481.645 1.949 30 10 JDEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1760562231 BMDLJBJEPRLTDV-SFHVURJKSA-N 478.644 1.890 30 10 JDEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1760566876 HXFGYBKTHJPCRT-UHFFFAOYSA-N 498.653 1.604 30 10 JDEE CCN1CCN(C[C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 1765559357 DACWWYHXLQLNHI-NHCUHLMSSA-N 494.644 1.669 30 10 JDEE CCN1CCN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)CC1 1767159287 FJLMRSQXLKWFIH-UHFFFAOYSA-N 466.590 1.035 30 10 JDEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1771109698 BCDBAMCMLIAXCI-LJQANCHMSA-N 471.942 1.654 30 10 JDEE COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1 1858334179 DERZYILJJQXFMS-HNNXBMFYSA-N 455.945 1.962 30 10 JDEE C=CCN(CC=C)c1nc(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)n([C@@H]2CCS(=O)(=O)C2)n1 1870004550 CZRUTJOAQZQMLS-HZPDHXFCSA-N 450.565 1.012 30 10 JDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccc(=O)n(Cc4ccccc4)n3)CC2)CC1 1890504677 NQHQQYRHCMGISW-UHFFFAOYSA-N 491.636 1.942 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255840688 QERNITFOZYZXPL-ZDUSSCGKSA-N 453.370 1.808 30 10 JDEE Cn1nc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)cc1B1OC(C)(C)C(C)(C)O1 2267136257 FFLWSMSNIONILH-KGLIPLIRSA-N 452.336 1.797 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2268710508 IOPRUUOQQVFROG-OAHLLOKOSA-N 470.372 1.983 30 10 JDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2281827921 CKOMFWVYKMNUHT-IRXDYDNUSA-N 462.352 1.704 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)n1 2281991873 GWPXKJUIEIMUGX-LJQANCHMSA-N 498.389 1.970 30 10 JDEE Cn1cc(C(=O)N2CCO[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282047540 ZOJMTLWOWZJRNL-HOTGVXAUSA-N 462.356 1.180 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282347663 AYOZRXUCRGBUOV-CVEARBPZSA-N 482.408 1.634 30 10 JDEE CN(Cc1ccccc1)[C@]1(CNC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCOC1 2282549575 MSZDNICJIMYORN-DEOSSOPVSA-N 454.380 1.740 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(Cc2ccccc2)CC(F)(F)C1 2282654308 JOOLFXSJJBYHPQ-INIZCTEOSA-N 461.322 1.754 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1COCCN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282863211 OPHDEZKHRJERKG-INIZCTEOSA-N 482.408 1.900 30 10 JDEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283064138 YMRRZVZIQXPAKM-JOCHJYFZSA-N 462.356 1.532 30 10 JDEE Cc1c(C(=O)N[C@H](C(=O)O)[C@@H](C)OCc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2284430675 XVMZRODTBGMDSD-QAPCUYQASA-N 457.336 1.816 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N=c1[nH]nc(CNC(=O)OC(C)(C)C)o1 2285214203 FCTRRWGSAJFELK-UHFFFAOYSA-N 459.312 1.771 30 10 JDEE COc1ccc(OC[C@@H](O)Cn2c(NN=Cc3cccc(O)c3)nc3c2c(O)nc(=O)n3C)cc1 2327751558 BONVBQYQIUOEBR-INIZCTEOSA-N 480.481 1.436 30 10 JDEE C=CCn1c(=O)c(=O)n(CC(=O)NCCN2CCN(c3cccc(C)c3C)CC2)c2ccccc21 33268762 BFJQQLCUYQJNQJ-UHFFFAOYSA-N 475.593 1.904 30 10 JDEE C=CCOc1ccc(-c2nc3s/c(=C4/C(=O)N(CC(N)=O)c5ccccc54)c(=O)n3n2)cc1 95951241 AKPOWWUGJYMAFE-VHEBQXMUSA-N 459.487 1.133 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC1 105308925 FKZJUPRYORDSTN-UHFFFAOYSA-N 453.992 1.873 30 10 JDEE C#CCN(C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br)[C@@H]1CCS(=O)(=O)C1 729330920 HWNKJLJWMQQYKS-CYBMUJFWSA-N 491.429 1.788 30 10 JDEE C#CCN(C(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1)[C@H]1CCS(=O)(=O)C1 729332792 XTCXKBYMEMSJNG-SFHVURJKSA-N 478.617 1.758 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 1286377426 WLDXNXBHDQNVRP-QINHECLXSA-N 459.572 1.613 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286389314 HZBFNWIFOCQERA-MOPGFXCFSA-N 462.620 1.120 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC[C@@H](C(F)F)N1CCOCC1 1286419504 ZKTBQXCNQPHHAG-SFHVURJKSA-N 471.512 1.744 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(S(C)(=O)=O)cc1 1286430718 IUOOZLMCHVAIPO-GOSISDBHSA-N 490.607 1.126 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 1286480335 LLJUEEWRRCISNH-QGZVFWFLSA-N 483.516 1.882 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1286494471 UKPXLELEMAJCJB-MOPGFXCFSA-N 498.550 1.401 30 10 JDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1286506895 PKEVHXOAIVZFJU-QZTJIDSGSA-N 455.650 1.646 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN(C(C)=O)C1 1286581140 GTFPROLJJINPMS-MOPGFXCFSA-N 468.624 1.272 30 10 JDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286592067 GEWZWUUKWUBZKS-MRXNPFEDSA-N 481.648 1.580 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1286776357 VCPLURBYVWFDMJ-PKOBYXMFSA-N 489.621 1.562 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H]1CSC 1286781951 FXDJFKLVBDUBAX-QGZVFWFLSA-N 478.644 1.829 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1286793396 DHRTZADEFIBPLP-JIGPKXGUSA-N 487.557 1.375 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1286823015 QQUBPWUMADKBKJ-RBBKRZOGSA-N 473.643 1.821 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)Cc1ccccc1 1286967047 CCYUIQXWUFJZHD-IEBWSBKVSA-N 479.628 1.781 30 10 JDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC(=O)N1CCOCC1 1300345295 SGROQZDTXURFTB-UHFFFAOYSA-N 488.614 1.294 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)Oc1ccccc1F 1300466356 WZXHYKBLZSTCNO-APWZRJJASA-N 465.551 1.677 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300488602 FLUUIVFVZNKOIQ-UYAOXDASSA-N 473.599 1.301 30 10 JDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1300597548 LRNJXPWGFIKLPU-GOSISDBHSA-N 479.006 1.745 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(OCC)c2)CC1 1300683157 MAGCVNRBFONXTH-KRWDZBQOSA-N 476.603 1.099 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1300732785 PGQLCSAHOKSACD-OAQYLSRUSA-N 464.570 1.846 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccs1)N(C)C 1300805854 JRKXSUIASJMVKU-JBYIUTFZSA-N 492.671 1.968 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@@](O)(c3ccc(C)cc3)C2)nnc1[C@]1(OCC)CCOC1 1301518466 HGYOOPUDEVEKGR-ZEQRLZLVSA-N 455.559 1.639 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC(=O)N2CCOCC2)C1 1301545634 KEFZSHBMSMPWQJ-LJQANCHMSA-N 471.558 1.993 30 10 JDEE CN(C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)C1CCCCC1 1314649902 FEXSOHJIEZVBSM-DXIQSLLYSA-N 497.641 1.563 30 10 JDEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CC(=O)N2CCOCC2)c1 1316528471 DWUUOUOPSFWODQ-KRWDZBQOSA-N 491.474 1.180 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CCCNS(C)(=O)=O)c1 1358902990 HXOLRULQFHQVGZ-UHFFFAOYSA-N 460.604 1.862 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1358958090 HOXRBXZKIZJFLB-AWEZNQCLSA-N 463.926 1.541 30 10 JDEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1358959483 JRBILACXSHMGBI-WZONZLPQSA-N 490.582 1.131 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358967765 RKJVBFVIOXMWDZ-RADWXHQJSA-N 478.546 1.163 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CCN(C(C)=O)CC1 1358983741 UTICINMHJNUWFK-NRFANRHFSA-N 483.617 1.587 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc(Cl)cn1 1359069865 AEJGALPZKVMJMQ-VQIMIIECSA-N 467.983 1.153 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@H](C)C1 1359294464 UNPJKUNBYAZGDW-IAGOWNOFSA-N 460.604 1.980 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1359300567 FTZFMGXVLCQPQU-GOSISDBHSA-N 454.556 1.523 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1359302673 PRNHCOHQGUERCC-UHFFFAOYSA-N 463.517 1.668 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1359303642 WCXSISZOTNVOOV-WOJBJXKFSA-N 452.559 1.622 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(=O)NCC)c2)C1 1359325155 ZHLSVYJJHQUUCL-HXUWFJFHSA-N 452.559 1.980 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1359328421 CWQFERODNITBEI-IBGZPJMESA-N 456.572 1.722 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1359330854 FKXOBWPQZBWDQQ-UHFFFAOYSA-N 478.582 1.924 30 10 JDEE Cc1nc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)sc1C 1360904387 HIORTNIHRLHXKF-OXJNMPFZSA-N 479.632 1.863 30 10 JDEE Cc1cc([C@](C)(O)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c(C)o1 1360997221 CZJJRNDOOFWWRW-UPRAQXHNSA-N 454.528 1.448 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)ccc1F 1457300659 MEGNQRMVBUFQEZ-OAHLLOKOSA-N 457.524 1.344 30 10 JDEE 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C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539391182 ALAUTLGPPLGTME-RTBURBONSA-N 461.563 1.842 30 10 JDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1CC1CCN(C(=O)OC)CC1 1539420108 BLJVJEJWKIMMFF-UHFFFAOYSA-N 474.587 1.834 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H](CCC)OC)CC1 1539476870 GSJFEIKDWKODHF-IBGZPJMESA-N 491.596 1.973 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1539518132 VVVUWZIWIWZVIG-GOSISDBHSA-N 465.645 1.385 30 10 JDEE C=C(Cl)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1539789873 BEMXFTPUGVWNMX-UHFFFAOYSA-N 479.368 1.858 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1539915625 CGXOSLDEMOXEFQ-RBUKOAKNSA-N 477.635 1.390 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](N2CCCC2)C1 1540038246 YEBGGNCSERZGCK-WOJBJXKFSA-N 482.651 1.268 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1540902439 JEDPYJXFBGTKQI-ZWKOTPCHSA-N 453.609 1.466 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](SCC)C1 1540905268 SIRNUCGBVXGONC-IAGOWNOFSA-N 476.690 1.893 30 10 JDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)C1 1541030468 CJRXLHBIDJQPED-LJQANCHMSA-N 456.572 1.746 30 10 JDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1)OC 1555248617 GURJEBZUILAXGE-NZQKXSOJSA-N 451.531 1.964 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CCOC(C)(C)C)c1 1587683659 MAGYAQZXJJMZMN-INIZCTEOSA-N 476.603 1.760 30 10 JDEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1587883931 OJSAQUDTHYWSER-UHFFFAOYSA-N 480.569 1.086 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588034261 CFLVQLIRACXYQK-UGTOYMOASA-N 480.631 1.762 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1588045617 NKXBAJAWBNMFCO-QGZVFWFLSA-N 453.572 1.420 30 10 JDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1589461052 XSLVIFKRRVPMKV-OAHLLOKOSA-N 455.357 1.612 30 10 JDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1594813325 QRYLMQGDIZZOAY-OAQYLSRUSA-N 460.623 1.899 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC2(C1)OCCO2 1595218049 GEENFDPMTNYENU-QZTJIDSGSA-N 467.592 1.333 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C(=O)NC)C1 1595501508 WLWCZVMTZVRNSQ-NSHDSACASA-N 469.365 1.023 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1595536656 DJGXQVKWCUAWJK-MRXNPFEDSA-N 486.964 1.435 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1595562441 ZCAGABILGMJMCM-UHFFFAOYSA-N 473.603 1.011 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1595812028 KZPIODXQCZCZOV-YLJYHZDGSA-N 487.582 1.311 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC1(CS(C)(=O)=O)CC1 1611662929 ARYWIGNGMKBAGX-OAHLLOKOSA-N 480.616 1.221 30 10 JDEE C#CCNC(=O)C[C@@H]1c2nc(NC(=O)N3CCOCC3)sc2C[C@@H]2[C@](C)(CO)[C@@H](O)CC[C@@]12C 1616126810 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C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1690507799 WXUFXQHIFSWFHM-SFHVURJKSA-N 453.551 1.062 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCN1CCOC(C)(C)C1 1690663121 MNCLOXYDQHXPCI-UHFFFAOYSA-N 490.630 1.198 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1690668987 PLZILGAEZRUEFZ-UHFFFAOYSA-N 452.494 1.512 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CCNC(=O)Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1705560778 NJLICMZKLAJKKH-LJQANCHMSA-N 475.590 1.700 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1705562468 CVBOBFFPLCBSBN-ICSRJNTNSA-N 487.607 1.268 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1705568175 IVFJRTIZOAIXDA-GOSISDBHSA-N 459.503 1.968 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1705568225 JOFSBASUFFCDAF-IBGZPJMESA-N 496.593 1.834 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1705569688 JHGARSPGUOFWQD-IBGZPJMESA-N 470.599 1.197 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN2CCCC[C@@H]2C)CC1 1705645208 NURHVIXDNVVYNZ-RBUKOAKNSA-N 493.678 1.119 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCCOC(F)F)CC1 1705648400 VOSDFJOLWHRNIG-UHFFFAOYSA-N 464.473 1.601 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccco1 1705661569 FDWQEEAPSUHNPI-WMZOPIPTSA-N 465.601 1.912 30 10 JDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)COC)CC1 1705662015 NTCAOVNRWWBIPF-UHFFFAOYSA-N 484.630 1.114 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cnc3c(Cl)cnn3c2)CC1 1705762626 DTRZLKYHLRFWKS-CQSZACIVSA-N 464.983 1.984 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1705819360 KAEILOCEAHYRQF-KURKYZTESA-N 498.650 1.927 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCN(C)C1 1705863895 KFOMEBJWNLFXMW-HNAYVOBHSA-N 454.622 1.209 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705898983 FAPYQNSLJGZVCB-IBGZPJMESA-N 451.531 1.322 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1705936110 KELTWGZZWXCQRD-NRFANRHFSA-N 491.662 1.793 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC(C)(C)OC(C)(C)C2)nnc1[C@@]1(OCC)CCOC1 1705938792 JKTSQORQDUYVSN-OAQYLSRUSA-N 456.609 1.925 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)CC(F)(F)F 1706076441 CXSMSNBFDWEXLV-CABCVRRESA-N 481.545 1.091 30 10 JDEE CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCN(C)C1 1710723870 FXOPRVJLRNJPHO-DEOSSOPVSA-N 453.591 1.465 30 10 JDEE CN(C)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)CCOCC1 1711001171 BOCCFUXZXJGPBG-YLJYHZDGSA-N 450.609 1.421 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC2CCCC2)nc1 1722293039 BIJIXBWGQTZFGI-PXNSSMCTSA-N 488.614 1.834 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(C)=O)cc1 1722296602 SLDNPLCNSGOBPN-HNAYVOBHSA-N 460.560 1.076 30 10 JDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1722330213 QACRCIBSJLSERD-OALUTQOASA-N 491.596 1.973 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1722371316 VGYPZJDLZADXSG-IBGZPJMESA-N 460.531 1.970 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(OC)CC1 1722395873 CNSVSQFZIXMPJO-MHJFOBGBSA-N 463.604 1.279 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1722430573 FMVUNLFJUBNIHY-RBUKOAKNSA-N 490.605 1.594 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cnn(C)c2C)CC1 1722434728 YNXHGUBVSLHWCP-UHFFFAOYSA-N 453.572 1.194 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CCS(C)(=O)=O)nnc1[C@]1(OC(C)C)CCOC1 1722502727 UDSSRVJIOSNEEU-LQWHRVPQSA-N 456.609 1.781 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(OC)cc1 1722641085 WQWOEERVAFIYFA-SFHVURJKSA-N 451.549 1.321 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCSC1 1722658133 FSRPETATGFOVQR-KNQAVFIVSA-N 493.655 1.672 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1722689800 ZZWSZMKIZDKWDE-XOBRGWDASA-N 479.379 1.733 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)c2ccccn2)CC1 1722705674 HAIILFMGYRPYCG-UHFFFAOYSA-N 479.516 1.656 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1722729595 QHOKVAYYGPYOOK-UHFFFAOYSA-N 467.617 1.093 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CCC)C1 1722738639 MWURJRNUMIQMFC-DLBZAZTESA-N 459.638 1.536 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722749130 DLVQNASNVNPETM-NRFANRHFSA-N 476.559 1.262 30 10 JDEE Cc1ccc(S(=O)(=O)NCCn2c(CN3CCCC3=O)nnc2N2CCC[C@](C)(C#N)C2)s1 1724450602 HRUKEYOZDSJIFM-OAQYLSRUSA-N 491.643 1.879 30 10 JDEE C[C@H]1CCCN1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1726585170 DAGCMCAGQVWNMW-GHTZIAJQSA-N 487.630 1.603 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCc3nccn3C2)c1 1740562848 RIXQFFOVGBJKPZ-LJQANCHMSA-N 474.569 1.932 30 10 JDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1740577884 RYOIKABIDRSWJJ-NRFANRHFSA-N 489.646 1.574 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COc2ccccc2)C1 1740591414 PAUHYFVGSXQUCF-TZIWHRDSSA-N 473.599 1.930 30 10 JDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1740592820 IZNVTSZYFOXAIR-OAQYLSRUSA-N 487.626 1.922 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(N2CCOCC2)n1)[C@H]1CCS(=O)(=O)C1 1740616165 UZEMZINZWMXXRM-IBGZPJMESA-N 472.615 1.482 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740619839 ADPDODXQNBYROF-AZUAARDMSA-N 460.604 1.257 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1nnc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 1740624698 AGMWFNJWFKPKKJ-CABCVRRESA-N 464.617 1.606 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(F)cc2)CC1 1740702405 OBPGPEYYROYNBL-OAHLLOKOSA-N 462.551 1.042 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCO[C@@H]2CCOC2)CC1 1740706731 ATMOMYLYLWSRHJ-OAQYLSRUSA-N 452.559 1.425 30 10 JDEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740787203 COICUJYAUFOGMP-INIZCTEOSA-N 475.619 1.806 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)F 1740916426 MPUKQZHEROVHRU-KRWDZBQOSA-N 478.525 1.626 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccnc2-n2cccn2)C1 1740972495 JEVABKWDWGXUNR-AEFFLSMTSA-N 472.575 1.299 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1740985924 NPOLGEKELSPWJE-NRFANRHFSA-N 487.626 1.953 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1740993473 BOBOOTBKXQTOQK-MRXNPFEDSA-N 463.560 1.133 30 10 JDEE Cc1nccn1CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1742636160 FXRQQKMSMLLXTK-IBGZPJMESA-N 476.607 1.336 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(=O)N(C)C)CC1 1748719100 VHPHIXBQBIQSBB-IBGZPJMESA-N 480.635 1.109 30 10 JDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1748724814 IZLMLKNOKQDDQP-HSZRJFAPSA-N 463.586 1.553 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748808746 MRCAIHCRSQBSAL-GCJKJVERSA-N 492.623 1.136 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748818210 XMMISPCMCNVYED-GIVPXCGWSA-N 475.590 1.851 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(SC)CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 1748818321 YVVRRHZBWXPHJX-RBUKOAKNSA-N 481.688 1.626 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)Oc2ccc(C)cc2)CC1 1748972396 HXYCORVGNVRTPW-RTBURBONSA-N 460.604 1.419 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1749129498 DWJRJUQTMPSPPA-WTGUMLROSA-N 479.647 1.904 30 10 JDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1749415478 QUFDMDFQWHDYDG-UHFFFAOYSA-N 472.615 1.715 30 10 JDEE C=CCNC(=O)Cn1c(N2CCCN(c3ccccc3C#N)CC2)nnc1[C@]1(OCC)CCOC1 1749681460 BQOBUNNWYDKUSX-VWLOTQADSA-N 479.585 1.821 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](C)[C@@H](O)C2)cc1 1749685613 IBTVMMZWVVDLJO-JRGCBEDISA-N 491.614 1.431 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1749734244 HANHPDBJXZPSJV-OALUTQOASA-N 494.639 1.784 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749738651 SYZJKSQBGWTBRJ-HSZRJFAPSA-N 473.599 1.934 30 10 JDEE Cc1noc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)n1 1751968529 FCUFUDKWZATXRS-UHFFFAOYSA-N 463.546 1.351 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1760181231 RERQQHUJKNHGSU-WEMPKCCASA-N 466.604 1.372 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1760182500 JQIBRKJQJPOEID-GOSISDBHSA-N 499.622 1.982 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CC(F)(F)C1(OC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1760183355 AWNTZXRGFNEOQE-KRWDZBQOSA-N 497.568 1.741 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1760190157 YQNMZGZHHVJRSW-MJGOQNOKSA-N 474.583 1.864 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC=C 1760220007 VHTNYCAOPVANCD-QFIPXVFZSA-N 483.594 1.687 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)C1(OC)CCOCC1 1760249461 MBGNMWGLEDVFBQ-INIZCTEOSA-N 476.546 1.097 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[C@H](O)C2)CC1 1760270968 GXKGYADHOAVSET-CTNGQTDRSA-N 453.591 1.657 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCN(C)C(C)C)CC1 1760272078 XSBXQZAXAPHWJJ-UHFFFAOYSA-N 462.602 1.823 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCS(=O)(=O)N1CCSCC1 1760299331 RBQALPLPAFGUAF-BBTUJRGHSA-N 483.660 1.373 30 10 JDEE C=C(C)Cn1c(CC2CC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1760350004 MUPBQWLTSDCNCW-ZACQAIPSSA-N 451.593 1.933 30 10 JDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1760431628 XDMCKBYCUZYGPU-AZUAARDMSA-N 466.590 1.880 30 10 JDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1760438571 JNBXKAKCCNNZHW-RTBURBONSA-N 453.609 1.769 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1760510122 HGNJRZJDUBHXIF-HXUWFJFHSA-N 492.577 1.465 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOc2ccccc2)CC1 1760522764 DLVQMMJNKSZTHT-UHFFFAOYSA-N 450.547 1.182 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1760574372 INVYPABBWXCLDW-LSDHQDQOSA-N 466.546 1.257 30 10 JDEE Cc1ccc(C)c(OCc2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2CC(=O)N(C)C)c1 1761729149 CJDROSNUGZEGOD-IBGZPJMESA-N 489.584 1.939 30 10 JDEE C[C@@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)C[C@@H](C)O1 1763198751 IFWGATDRUJPFBF-NHCUHLMSSA-N 494.644 1.526 30 10 JDEE CCN(CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1)C(C)C 1766879162 FLTBLOPBUQTANC-LJQANCHMSA-N 475.619 1.654 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@](F)(C#N)C1 1768521947 BZRHVXQIITUDHL-HXUWFJFHSA-N 458.523 1.669 30 10 JDEE N#C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)NCC(F)(F)F)CCO1 1771535817 AEGVGODCFHRDLC-CYBMUJFWSA-N 460.363 1.954 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1772516557 RFCUPIPTOAYDGG-LJQANCHMSA-N 459.547 1.883 30 10 JDEE N#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)N3CCC(C(=O)O)CC3)cc2)c1 1858662226 ZITBCESBQHSXTJ-UHFFFAOYSA-N 470.507 1.683 30 10 JDEE N#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)N=c3ccc(Cl)n[nH]3)cc2)c1 1858678350 POGVEWVGQDGDOE-UHFFFAOYSA-N 470.898 1.864 30 10 JDEE C=CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 1858963435 LNMLJLKTCOXYAI-UHFFFAOYSA-N 485.518 1.980 30 10 JDEE CN1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)c3ccc(NS(C)(=O)=O)cc3)cc2)CC1 1870143205 BTUYIBBXZWAIBP-UHFFFAOYSA-N 480.554 1.515 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CCO)c(CSCCO)cc2=O)nc1C 1870226222 BLZKQUMIZOENJI-UHFFFAOYSA-N 483.568 1.191 30 10 JDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@@H]2CCCO2)cn1CCCN1CCCC1=O 1870536657 UQIFVMZJNKQIHP-QFIPXVFZSA-N 486.613 1.709 30 10 JDEE Cc1ccc(C)c(N2C[C@H](C(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)CC2=O)c1 1889451533 KZVHIGCEEUPTGG-HSZRJFAPSA-N 466.626 1.915 30 10 JDEE Cc1ccc(C)c(S(=O)(=O)NCc2ccc(C(=O)NCC#CCN3CCOCC3)cc2)c1 1890475046 JUVSYHJLQHUEQQ-UHFFFAOYSA-N 455.580 1.847 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCN=c2ccc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2241031126 OLPOVGKEQWZADY-KRWDZBQOSA-N 481.424 1.639 30 10 JDEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2255605520 MKQHRIYWHZMGAT-DLBZAZTESA-N 469.351 1.644 30 10 JDEE Cc1sc(C(=O)N2CC(NC(=O)OC(C)(C)C)(C(N)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 2267115647 ORCZLDSERFPPGX-UHFFFAOYSA-N 465.381 1.560 30 10 JDEE COC(=O)[C@H](CCNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267168937 GHYXVCROASUDED-ZDUSSCGKSA-N 469.369 1.629 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]2(CF)CCN(C(=O)OC(C)(C)C)C2)n1 2267182079 AZUYIFYEZQFKFU-OAQYLSRUSA-N 452.336 1.798 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(S(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]21 2267377432 IHBBHBMUZWRDGD-BJWYYQGGSA-N 465.381 1.524 30 10 JDEE CN(CC[S@](C)(=O)=NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267871201 MUPDNPWRVRNXOZ-YTTGMZPUSA-N 468.385 1.881 30 10 JDEE COc1cc(CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2273765141 DYUHPFXJKVXFEB-INIZCTEOSA-N 450.341 1.496 30 10 JDEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2281971879 LGMMVFDGNUITHS-XHSDSOJGSA-N 464.372 1.520 30 10 JDEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2281988735 QDOLBYYBDCZZAF-AWEZNQCLSA-N 464.372 1.853 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)[C@@H]2COC[C@H]21 2282044281 OOGAJBBTNQAUBD-CWRNSKLLSA-N 462.356 1.083 30 10 JDEE COC(=O)[C@@H](CCNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2282188464 WJLBUZKJMBEPLH-MRXNPFEDSA-N 463.340 1.567 30 10 JDEE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282191046 URFQBJXOLMULIU-JOCHJYFZSA-N 461.324 1.575 30 10 JDEE CC(C)(C)OC(=O)NCCN(CCO)S(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282504782 UJUPMKAKJPDCIT-UHFFFAOYSA-N 488.387 1.633 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3COC[C@@H]32)n1 2282534482 UWANRSMJJZBVTL-JKSUJKDBSA-N 462.356 1.180 30 10 JDEE Cc1ccnc(C(=O)NCC2(CNC(=O)OC(C)(C)C)COC2)c1B1OC(C)(C)C(C)(C)O1 2282558696 DGLPOXQCHBMMRC-UHFFFAOYSA-N 461.368 1.960 30 10 JDEE CC(C)(C)OC(=O)N1CCO[C@H](CCNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282612096 RAYQEUYBLAANPK-MRXNPFEDSA-N 462.356 1.532 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2282818545 KCBZSEMVLFWZTR-KBXCAEBGSA-N 462.352 1.649 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H](NC(=O)OC(C)(C)C)C1CCC1 2282837231 CHOUAKIGWQHPGQ-AWEZNQCLSA-N 485.416 1.086 30 10 JDEE Cc1nc(S(=O)(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282883575 CDJMOXDDKITRJG-HNNXBMFYSA-N 484.428 1.563 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCO1 2283066848 BUADKPFDHQHQIM-LSDHHAIUSA-N 462.356 1.578 30 10 JDEE Cc1nc(NC(=O)[C@H]2COCCN(C(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2283956623 LCZQQAPSMGDABX-OAHLLOKOSA-N 462.356 1.906 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2284123905 BQPGHUYLFGKIHF-OPAMFIHVSA-N 482.408 1.396 30 10 JDEE C[C@@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1C(=O)OC(C)(C)C 2286859389 OVBXYSVSBVTHOM-GDBMZVCRSA-N 484.428 1.786 30 10 JDEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2289651321 PTBYXCUSZYDWJT-OAHLLOKOSA-N 466.359 1.917 30 10 JDEE CO[C@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2315647221 XPFGWHBNSIHLNI-KGLIPLIRSA-N 453.370 1.806 30 10 JDEE CC(C)(C)OC(=O)N1CC(C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)(S(C)(=O)=O)C1 2351685856 HUXHCCQDKLDEDU-KBPBESRZSA-N 470.397 1.571 30 10 JDEE CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)ON2C(=O)CCC2=O)CC1 106931610 UUQGQTRWRZDNKX-KKSFZXQISA-N 493.582 1.534 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c(OC)c(OC)c2)c(=O)n1C[C@H]1CCCO1 489622705 OFFCOPRNLGSNGI-OAHLLOKOSA-N 489.981 1.565 30 10 JDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)CC1 514480030 OEJNXKGQFOMMTJ-UHFFFAOYSA-N 491.658 1.498 30 10 JDEE COc1cccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnn4ccccc34)c2=O)c1 729670479 TUTXPTTTWAYZRL-UHFFFAOYSA-N 457.515 1.337 30 10 JDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1ccc(OC)cc1 729671759 XFXYYILTPLSEAT-UHFFFAOYSA-N 487.585 1.838 30 10 JDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)N(CCC#N)c2ccccc2)[C@H](C)O)cc1C 777303475 AREFMTACCSVGQC-PGRDOPGGSA-N 473.551 1.821 30 10 JDEE Cc1nn(C)c(C)c1C=NNc1nc(SCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1 1084475085 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C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)NCC(F)(F)F 1286454653 NGHLQFPAIGAMAE-ZDUSSCGKSA-N 490.483 1.346 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1286466928 LVICONFWGZVLFD-NHCUHLMSSA-N 488.610 1.791 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1286509635 VHEHDRROKQPOGV-IRXDYDNUSA-N 483.660 1.898 30 10 JDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)C(=O)C1 1286592796 WJILGFNKZRTUDS-KRWDZBQOSA-N 464.567 1.458 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)C)C1 1286712127 SIBKMCLLNADWBO-ROUUACIJSA-N 457.597 1.065 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC1 1286762990 RJTQYFLPYRUAGG-LEWJYISDSA-N 475.615 1.883 30 10 JDEE C=CCNC(=O)Cn1c(N2C[C@@H]3[C@H](C2)[C@@H](NC(=O)OC(C)(C)C)CS3(=O)=O)nnc1C(C)(C)C 1286792678 FGDGBWFZWBAVCH-OWCLPIDISA-N 496.634 1.004 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CC)CCOCC2)C1 1286808761 DXFYLUILEIJMCK-RTBURBONSA-N 483.635 1.599 30 10 JDEE CC(=O)N1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 1286857903 AYVXZFIVTIRDRH-UYAOXDASSA-N 456.572 1.699 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCCC)nc1 1300310109 WZTSQCGKZYUDDH-SJLPKXTDSA-N 462.576 1.301 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCc1nc(C)cs1 1300465014 JCQSKRPVJKOARY-INIZCTEOSA-N 452.606 1.468 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1300497127 XOMFSKUZUBCOAD-IRXDYDNUSA-N 463.535 1.412 30 10 JDEE C#CCN(c1nnc(CC)n1C[C@@H](C(CC)CC)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300497775 DGISSZUTKZJQDK-PMACEKPBSA-N 451.637 1.604 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCCC1 1300671141 CMONLTROAXHIKK-SFHVURJKSA-N 453.609 1.667 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1300680407 ARUREWSSZCPDTR-JOCHJYFZSA-N 465.602 1.581 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC(F)F)c(F)c2)CC1 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C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCOC[C@H]2OC)CC1 1359028502 VACMEIGBMPMGPR-IFMALSPDSA-N 466.586 1.954 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[S@](=O)C(C)(C)C)CC1 1359040309 OTUUYTCMCADMEI-UMSFTDKQSA-N 485.614 1.438 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1359044554 IVZGIXHMFWJLDB-MSOLQXFVSA-N 484.523 1.011 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1359046081 DDVHHSSBUIYTQC-UHFFFAOYSA-N 470.599 1.197 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2COCCO2)CC1 1359047443 HHPUTFVUMWRDMO-NRFANRHFSA-N 453.543 1.547 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(C)=O)CC1 1359090981 HZMXUSHUYRHTAW-AZUAARDMSA-N 453.547 1.965 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359101248 MJIPFKZPFGVBEK-UNMCSNQZSA-N 481.601 1.418 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSCCS1 1359282175 SPLKGBRZHOLOHE-JKSUJKDBSA-N 477.678 1.098 30 10 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C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1595822050 GFJHTJZXNICCNZ-KRWDZBQOSA-N 479.990 1.922 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)N(CC)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1595831823 WWDNKRQFXYXVIQ-NNMXDRDESA-N 469.652 1.838 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@](O)(c3ccc(Br)cc3)C2)C1=O 1598557226 FQVKUMJROJCNNS-IBGZPJMESA-N 450.289 1.236 30 10 JDEE CC(C)CN1CCC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)C1 1607454756 CFKDQOYOZJNRIZ-SFTDATJTSA-N 493.678 1.719 30 10 JDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(OC)CCOC2)CC1 1615328583 GIKUQRGDELCSEQ-RUZDIDTESA-N 481.601 1.613 30 10 JDEE CCO[C@@]1(c2nnc(N3CCN(c4ccccc4C#N)CC3)n2C[C@H](COC)OC)CCOC1 1616252397 CUCSLXGSGQKFLG-YKSBVNFPSA-N 470.574 1.790 30 10 JDEE C[C@H](CC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)/N=C1/NS(=O)(=O)c2ccccc21 1617184023 ATVQHJUIRSZRGX-IEBWSBKVSA-N 451.552 1.740 30 10 JDEE C[C@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@H](C)CN1C(=O)OC(C)(C)C 1624186596 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C#CCN(c1nnc(-c2cccc(C)n2)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1588049264 DDOLGZVGNFKPLB-GOSISDBHSA-N 456.572 1.334 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCNC(=O)c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1588059493 OWQSDYPHUIRKHJ-LJQANCHMSA-N 487.626 1.932 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1588064562 KONKSNBODFMEPR-HXUWFJFHSA-N 451.552 1.839 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2C[C@]2(C)COCCO2)n1 1588723396 MLUWJXRHDDYDQF-XMMPIXPASA-N 465.558 1.937 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC(=O)N2CCOCC2)CC1 1588752818 WVAHEYINHBFMII-UHFFFAOYSA-N 473.375 1.322 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2cc(C)cc(C)c2)CC1 1588836394 IWEYPOPQWBWWGA-HXUWFJFHSA-N 457.600 1.631 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCN2CCN(C)C(C)(C)C2)CC1 1588898845 FEVUXZNVPUXXSM-UHFFFAOYSA-N 493.656 1.946 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC(=O)N2CCN(c3ccccc3)CC2)CC1 1588968773 QATOPSXKVWDZTH-UHFFFAOYSA-N 493.612 1.129 30 10 JDEE 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2281984973 HFOJPFRQBLCRCA-UHFFFAOYSA-N 464.372 1.855 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(CCNC(=O)OC(C)(C)C)CC1 2282173533 KICCWQNSBWTVNL-UHFFFAOYSA-N 463.388 1.881 30 10 JDEE Cc1nn(C)c(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c1B1OC(C)(C)C(C)(C)O1 2282557058 PZIFRDPYKUTAJR-UHFFFAOYSA-N 458.290 1.558 30 10 JDEE Cc1ccnc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2282574582 QOQCLQPHNIWNNC-CVEARBPZSA-N 461.368 1.789 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)n1 2282594541 GZNCDLIJTZAGLD-HOTGVXAUSA-N 464.372 1.302 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@]1(F)C[C@@H](NC(=O)OC(C)(C)C)C1 2282853988 LWBDZTCELYJQEQ-NXHRWCDGSA-N 488.391 1.393 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282869273 ZZLGRGKSZGLTHH-PBHICJAKSA-N 483.396 1.199 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2283946483 OEKPRPDVWUJJBV-UHFFFAOYSA-N 489.350 1.676 30 10 JDEE Cc1ccc(S(=O)(=O)N=C2C=C3N(CCO)CCO[C@]3(O)c3ccccc32)cc1[N+](=O)[O-] 2293308499 ORHZHCUDDZHFDW-OAQYLSRUSA-N 459.480 1.448 30 10 JDEE CCOC(=O)Cc1nnc(S)n(N=Cc2c(C(=O)O)n(C)c3cc(OC)c(OC)cc23)c1=O 2321656120 DEJJSOIJMIKEDT-UHFFFAOYSA-N 475.483 1.122 30 10 JDEE CC(C)OC[C@@H](O)Cn1c(NN=Cc2ccc(C(C)C)cc2)nc2c1c(=O)n(C)c(=O)n2C 2328610596 SOEDHMQSCQARNR-SFHVURJKSA-N 456.547 1.789 30 10 JDEE CC(C)(C)OC(=O)N1CCC(CO)(NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CC1 2337395489 ZYHSHIJZVMMONS-UHFFFAOYSA-N 467.397 1.934 30 10 JDEE Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1cccc(O)c1)n2C[C@@H](O)COc1ccccc1 108941049 QZQOQYWPWOMMLO-BRUSPLQXSA-N 450.455 1.015 30 10 JDEE COc1ccc(/N=C(\N2CCN(C)CC2)P(=O)(N2CCN(C)CC2)N2CCN(C)CC2)cc1 109742027 LFDFVAZYHHJCFE-WCWDXBQESA-N 477.594 1.618 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)CCC(=O)c2ccc(I)cc2)CC1 512714084 MGEUXYSFGRYIBB-UHFFFAOYSA-N 469.323 1.701 30 10 JDEE CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C 642774947 UFBXNEAKEMBKBR-VMFDMDGKSA-N 454.466 1.139 30 10 JDEE N#CC(C(=O)c1c(Cl)cccc1Cl)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(N)=O 729672266 GGLBQSXJINVKEX-UHFFFAOYSA-N 498.351 1.736 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1286310688 XRIPBOGXXQVVMO-SFHVURJKSA-N 464.551 1.831 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1286384449 QVFLNTGHLYESIA-IQVDJAOASA-N 492.623 1.500 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286387830 IRGGWXIIFJNBEN-VQTJNVASSA-N 475.615 1.830 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1286396696 XTHQYIAOKAEVRN-LJQANCHMSA-N 453.572 1.289 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc2C1 1286397928 RICQGFMVHMEKNM-RBUKOAKNSA-N 454.600 1.408 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1286399115 YZOSBXXZRHQMFV-HZPDHXFCSA-N 450.590 1.549 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCC1 1286465759 AHTXTVGXBCFKDV-IBGZPJMESA-N 462.595 1.768 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCC[C@H]1C 1286522139 HVBUJVLEBWCAOO-HRQSHJORSA-N 451.593 1.154 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)N(C)C)CC1 1286545997 DXMZMLUFUHCUDM-QRFRQXIXSA-N 482.651 1.564 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1286592402 CPHUBCWQICVUEH-ZDUSSCGKSA-N 475.497 1.423 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1286789686 GXGXFEQGOJXTGI-UHFFFAOYSA-N 469.594 1.170 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1286809393 IUTJJEGIYZPOOY-GVDBMIGSSA-N 477.553 1.846 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC(N(C)C(C)=O)CC1 1286823519 VXNDMRCZSUYCQK-UHFFFAOYSA-N 466.633 1.682 30 10 JDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(OCCN2CCCC2)cc1 1293339049 HABIYPYJFFXNFC-UHFFFAOYSA-N 456.568 1.906 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC2(COC)CCOCC2)c1 1300336257 AVRPRLBEUIJDGC-UHFFFAOYSA-N 494.596 1.900 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2CCCCC2)CC1 1300725748 JJVSXIZPDWFVNB-HXUWFJFHSA-N 490.674 1.411 30 10 JDEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1 1301258252 OGPWTTBHFHVIBW-INIZCTEOSA-N 450.540 1.115 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2Cl)CC1 1301481000 HOAIBQPTSLSJIR-HNNXBMFYSA-N 482.010 1.171 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1301497072 NJSVABMJZANWTN-UHFFFAOYSA-N 480.617 1.522 30 10 JDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC(OCC(N)=O)CC2)cc1 1301519198 RXCRIEKVQCBMJJ-UHFFFAOYSA-N 451.531 1.762 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(=O)N(C)C)C1 1301554206 CMAIPUVUDUMWOO-MRXNPFEDSA-N 451.531 1.544 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C(C)C)CC1 1301612331 LJKLJLFXVRTEIB-MRXNPFEDSA-N 455.650 1.840 30 10 JDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cccn2)CCN1S(C)(=O)=O 1302878825 GLQFWGDMDZTHJK-KRWDZBQOSA-N 454.560 1.574 30 10 JDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCOC(C)(C)C1 1314522133 FBLNIDIBEVQVQD-UHFFFAOYSA-N 460.604 1.798 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358870198 HVKYSZLLXPXBSO-BZSNNMDCSA-N 471.587 1.588 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1358960296 BDQIMKLKKMFBQD-IBGZPJMESA-N 452.540 1.197 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1358965402 UPZNZHJENKKSCB-KRWDZBQOSA-N 457.585 1.293 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(C)COCCO1 1359015285 OTOZMLOGQGCNJR-IERDGZPVSA-N 465.551 1.473 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1359030685 BVQHLEPULOXQIA-AREMUKBSSA-N 498.603 1.572 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2OCCOC)CC1 1359044171 YDRCWRPMTQYKIB-UHFFFAOYSA-N 477.569 1.718 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1359045911 XTMUOGNXDXKBBD-SFTDATJTSA-N 492.690 1.512 30 10 JDEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359086072 JOCROXRYHKDBOA-UHFFFAOYSA-N 479.404 1.766 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCC2=O)CC1 1359133531 UGLSZSGPULYUAU-KRWDZBQOSA-N 451.593 1.364 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1359182977 AGDYGSSPXCOICZ-GOSISDBHSA-N 478.667 1.936 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359292201 KBRHNXDBBMGCIR-ROUUACIJSA-N 483.573 1.675 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1359294521 WIPPHYHSHWMAHT-INIZCTEOSA-N 450.503 1.958 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1359297915 GTEBAQNRYGWVNO-MRXNPFEDSA-N 453.503 1.052 30 10 JDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1359303751 ZPVYNRSLDQGYEV-UHFFFAOYSA-N 471.650 1.884 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCNC(=O)[C@H]1CC 1359327738 JPDLQVDRAGHYDA-MRXNPFEDSA-N 469.514 1.862 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCCO1 1359343724 ZLTZOLNTKKNMAX-DLBZAZTESA-N 459.638 1.536 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1359385952 PQVDQJNJNDYUGU-XDOYNYLZSA-N 460.498 1.012 30 10 JDEE C#C[C@H]1CCCN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)C1 1469518728 HQXLPJDZKBGQHI-SFHVURJKSA-N 458.584 1.882 30 10 JDEE CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(CC(=O)NCc3cccc(C#N)c3)C2)C(=O)C1 1473399822 CLLDNWKFJVYVRX-FQEVSTJZSA-N 455.559 1.718 30 10 JDEE CCc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)no1 1498317989 DIEBJEUVAJWCGW-UHFFFAOYSA-N 450.503 1.300 30 10 JDEE CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCCCC1 1503624838 HDPVYTKYQCJLRL-UHFFFAOYSA-N 476.603 1.799 30 10 JDEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1 1503638302 HTEYIDFHMVBUPQ-GDLZYMKVSA-N 451.574 1.121 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)F 1507538252 LDFNSCONZWCUEU-ZIAGYGMSSA-N 456.494 1.426 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1507564808 XDKZZVBSGAHMAM-HXUWFJFHSA-N 492.646 1.396 30 10 JDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1507583023 MHSIGWZVRUAKKG-UHFFFAOYSA-N 490.612 1.596 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1507589695 YQLMJNOWKRISPJ-QGZVFWFLSA-N 458.544 1.828 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](C)N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1507630150 UKHLGLYVVLECDQ-IFMALSPDSA-N 470.643 1.598 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1507631030 KUEMFSOXCVMTKD-KRWDZBQOSA-N 464.617 1.218 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1507638729 SBYHQRKRBJAWPU-LNLFQRSKSA-N 463.560 1.282 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(CCOC)CCCC1)[C@H]1CCS(=O)(=O)C1 1507640653 VHFLMTBUFAMUPO-IBGZPJMESA-N 477.631 1.624 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1507640756 VHMSVEKTZFHWTM-MRXNPFEDSA-N 462.601 1.094 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1N1CCOCC1 1507643113 QVBXDIOAGIKEOO-LJQANCHMSA-N 470.599 1.154 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCOCC2)c1 1507669388 LITJLOQHJSHIGD-FQEVSTJZSA-N 483.594 1.644 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(C)(F)F)c1 1507711472 VAJXUKCNMPMHFG-LJQANCHMSA-N 497.568 1.857 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(O)CCC[C@H]2C)CC1 1507733563 CXBCENKDHMACQO-OSPHWJPCSA-N 458.607 1.713 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCOC2(CCOCC2)C1 1508137211 KQXBPLLXJZWNBC-UHFFFAOYSA-N 462.572 1.940 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](COC)C1 1508139171 DNQOZGBNJGIWDO-HNNXBMFYSA-N 458.544 1.667 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1508149804 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CCN1CCN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1547734745 CBULSIBXKKSJLY-QFIPXVFZSA-N 464.574 1.485 30 10 JDEE COC1(CCn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)CCC1 1554705518 DYFPQTITUYFHDP-KRWDZBQOSA-N 467.578 1.752 30 10 JDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1 1561154662 IMNIWFJNDZMCNO-CYBMUJFWSA-N 454.567 1.340 30 10 JDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 1567596128 HYURUBHLWHRWRF-NQIIRXRSSA-N 456.568 1.632 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)Oc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1588024760 LAJRUENEKMESJR-MOPGFXCFSA-N 473.599 1.819 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(N(C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588049501 HIMRZDOOADRLQR-LJQANCHMSA-N 472.615 1.386 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC1(S(C)(=O)=O)CCCC1 1588673653 WCYSFWCMRZGXMH-UHFFFAOYSA-N 470.599 1.960 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1595405414 OBYFAGSWVFKMMH-FQEVSTJZSA-N 471.587 1.678 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1595506525 CFGCZPHHZHCFQA-UHFFFAOYSA-N 476.603 1.506 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC=C(COC)CC1 1595788412 ADRHVYQSMHTPGY-UHFFFAOYSA-N 484.582 1.576 30 10 JDEE C=CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1595849567 BJIMLBVEAHLPBH-HNNXBMFYSA-N 478.525 1.613 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1(O)CCCC1 1611706824 GKCAANBZXONJCN-QGZVFWFLSA-N 473.603 1.392 30 10 JDEE CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1618126219 IAUKAGYTIBJEBH-SFHVURJKSA-N 476.628 1.668 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)NC3CCC(C)CC3)CC2)c1 1626971341 IMFVKIJATGYKFO-UHFFFAOYSA-N 459.612 1.936 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCc2nccn2C1 1689951392 VZBKPKYNSMFKBQ-QGZVFWFLSA-N 453.572 1.724 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1689982862 WAUJIXPYXWFASU-CVDCTZTESA-N 474.583 1.699 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689988044 HTOCSTPNYXSBCS-FGZHOGPDSA-N 498.653 1.746 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1689996943 RVCIMOYVCQIHOE-GOSISDBHSA-N 459.572 1.318 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1cc(C)ccc1OC)[C@H]1CCS(=O)(=O)C1 1689997295 ZPXJOMFGTNQCPI-FQEVSTJZSA-N 485.610 1.587 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCc1ccco1 1690089726 KXLZJCXORQWNOA-LJQANCHMSA-N 450.474 1.918 30 10 JDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1690106261 PCFAOXILCAGOJI-KRWDZBQOSA-N 453.543 1.867 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1690113744 SSHCWUZPNWADQH-NTKDMRAZSA-N 476.622 1.989 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1690137667 GIFREJNFZNNDON-LQGLAIQGSA-N 473.618 1.836 30 10 JDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(S(C)(=O)=O)CC1 1690234446 DWXZRFPPKJTDKP-ZFWWWQNUSA-N 463.398 1.924 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccco2)CC1 1690236249 KJEMOLVGERCQJH-LNLFQRSKSA-N 492.602 1.425 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1690274861 GZDFBOAFLNHJIK-HNNXBMFYSA-N 450.565 1.637 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(S(C)(=O)=O)CC1 1690666911 KHJHHKNZLNGTIH-UHFFFAOYSA-N 454.556 1.809 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1690678221 OWOMZAZTFIXIJP-JTSKRJEESA-N 483.548 1.642 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1690724061 HJUFFQZIIJZHOI-UHFFFAOYSA-N 467.636 1.543 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)C1CCCCC1 1692661469 DQCSGKIMEKVTST-SJLPKXTDSA-N 481.623 1.140 30 10 JDEE COc1ccncc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1697632564 HNUJTGHHIGYOGP-GHTZIAJQSA-N 475.575 1.193 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1698484178 GDPMTYJWSMBOAL-HXUWFJFHSA-N 498.531 1.441 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccs1)N(C)C 1705496078 ZGJMVQQVRYWMJI-ULQDDVLXSA-N 466.633 1.433 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1705510260 OUJYTDJOWYPBKB-IRXDYDNUSA-N 460.608 1.614 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1705559938 BZXKJLODLBUXLS-MRXNPFEDSA-N 496.431 1.978 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1705561645 RZNCNWPELSNJCN-IHPCNDPISA-N 489.554 1.532 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1705565482 UZYGDYLLHIHKAR-IBGZPJMESA-N 465.539 1.768 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1705569725 JSRXLZZXLJAHIL-OALUTQOASA-N 462.645 1.745 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCOC1=O 1705595400 RDZBDRRPRYPBKI-UHFFFAOYSA-N 469.571 1.543 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCSC2)CC1 1705648748 XWNHKGUKWSRBHE-AEFFLSMTSA-N 465.645 1.289 30 10 JDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(OCC(N)=O)CC1 1705661940 LPPPLWWVPXRQCV-IBGZPJMESA-N 457.556 1.628 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CN(C)C)c1)C1CC1 1705854561 LWXZLURKZBXTPM-OAQYLSRUSA-N 474.631 1.876 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCc2nn(C)c(=O)cc2C1 1705897769 TVULPNLJORUCRF-OAHLLOKOSA-N 467.505 1.516 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(-c3n[nH]c(C)n3)cc2)C1 1705916728 RBSOMFSKUGIYKK-KXBFYZLASA-N 486.602 1.811 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1705937166 KYCHOXKGNHDJBQ-UHFFFAOYSA-N 482.614 1.598 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1722359566 UANAJQSTVUMXCJ-FQEVSTJZSA-N 485.610 1.976 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1722372061 ONMFLBSAIIENET-OALUTQOASA-N 462.645 1.910 30 10 JDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722430282 DAKMEALLXKPPDT-SFHVURJKSA-N 455.563 1.408 30 10 JDEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCNS(C)(=O)=O 1722451856 IWQBCFKQWUUJQX-UHFFFAOYSA-N 461.411 1.388 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1722461923 JYHXQEYUYMETGM-IBGZPJMESA-N 470.603 1.273 30 10 JDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1722564377 OVOADRWCOOLFCO-VWLOTQADSA-N 482.585 1.739 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cnc2ccccc21 1722640071 ITECZXCPIBHBOE-IBGZPJMESA-N 459.576 1.673 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1722695226 XITDQCLDVYIVPS-UHFFFAOYSA-N 483.573 1.602 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1722719526 VQCCYPVJPTVDQD-KURKYZTESA-N 489.589 1.318 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722732258 WXLWQAXDFLNNBX-KRWDZBQOSA-N 490.586 1.023 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(S(C)(=O)=O)CC1 1722732650 RCVNSKWQLPORLA-MRXNPFEDSA-N 497.643 1.515 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722750844 POYQIBPMZAXUGF-QGZVFWFLSA-N 490.586 1.119 30 10 JDEE C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)N(C)C(=O)OC(C)(C)C 1723843643 DSANCWGTNAQUTJ-PMPSAXMXSA-N 468.580 1.164 30 10 JDEE Cc1cccc(C)c1OCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1724470364 GUTDYHVLQNJYBP-RBUKOAKNSA-N 490.586 1.036 30 10 JDEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCN1CCCO 1727422448 AYRYHMGCZYIPHI-RTWAWAEBSA-N 454.575 1.995 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)C1CC1 1740653569 QFIDHTBXBKPUQU-UHFFFAOYSA-N 457.538 1.664 30 10 JDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1740657892 BIRUPAAOIIGONJ-FQEVSTJZSA-N 461.570 1.532 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H]2CCC(=O)N2)CC1 1740698122 SQOZZQBUGHLPEH-OAHLLOKOSA-N 473.375 1.750 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCCC[C@@H]2C)CC1 1740700871 LNIMXKXMSWFBIR-FQEVSTJZSA-N 469.634 1.744 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2([S@@](C)=O)CC2)CC1 1740703432 SFRBFLNWYYNBJQ-MGBGTMOVSA-N 470.555 1.730 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(Cl)nc2C1 1740717543 VKFOIQPZIZFXKD-KRWDZBQOSA-N 497.046 1.589 30 10 JDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1740827744 JEORNXDGVFHVHW-KRWDZBQOSA-N 458.588 1.921 30 10 JDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1740884494 COFXLCPCIYFWNJ-OYRHEFFESA-N 482.633 1.954 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1740991737 CNRHZHBWBYBTEZ-UYAOXDASSA-N 466.652 1.066 30 10 JDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1741005441 JECVFIXQAXSWPU-UHFFFAOYSA-N 486.627 1.776 30 10 JDEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CC1 1746053004 DZPFNDLFNPWXRC-UHFFFAOYSA-N 464.574 1.927 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748811482 HUBAZASCFUFFDO-IRFCIJBXSA-N 472.615 1.466 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748817762 PVWZYFPRXDVZLU-CEMLEFRQSA-N 471.627 1.929 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1748820494 CQNJPFXKJLJUPN-IBGZPJMESA-N 460.604 1.583 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1748820529 DGJAHNXUKGFXEF-HYBUGGRVSA-N 487.626 1.167 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1748820613 FQEHVYFDDURNIF-SJORKVTESA-N 475.596 1.589 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(C)CN(C)C1=O 1748864152 RPHMVVHIJUDDRE-HSZRJFAPSA-N 452.946 1.803 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2c(F)cccc2F)CC1 1749014776 NXEVMISSUKGPML-KRWDZBQOSA-N 491.564 1.667 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1749342220 DEYXMHCQAPWPNO-DJPFJPOOSA-N 453.609 1.565 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(C(C)=O)CC1 1749448178 URITUZGMOZOGRD-UHFFFAOYSA-N 490.630 1.847 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1749754832 AIPQFNUYUBQWGQ-MISYRCLQSA-N 496.703 1.088 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1750058423 CEFZGVYHLZHFGJ-GHTZIAJQSA-N 451.575 1.725 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1760185120 QBUQDUITPMITIN-IBGZPJMESA-N 464.551 1.308 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760190282 OWXMZCZMIZQDIS-QUCCMNQESA-N 477.656 1.525 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760222609 RHIZFUTZUIQWSH-XUVXKRRUSA-N 461.632 1.941 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCN(C)C(C)(C)C1 1760250083 CVQJUEHGEAWOPZ-UHFFFAOYSA-N 464.618 1.629 30 10 JDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC1(N(C)C)Cc2ccccc2C1 1760251319 XACGMRIXNPEXDX-UHFFFAOYSA-N 450.587 1.586 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCOC2CCOCC2)CC1 1760269807 PHPYVZYPUQFILD-HXUWFJFHSA-N 459.591 1.724 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CC=CCC2)CC1 1760271201 PLUHEHUVPXIXHJ-UHFFFAOYSA-N 450.591 1.367 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1760280133 CVMBITXEMVFEBZ-ILXRZTDVSA-N 497.565 1.133 30 10 JDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1760508812 MRHIYFQGRWXJJY-UHFFFAOYSA-N 457.564 1.405 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(C)(C)C)CC1 1760549150 XLELVADIHRJVBD-UHFFFAOYSA-N 475.619 1.837 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCC(OCC(N)=O)CC1 1760551651 NPAHOYOJEFEFAM-UHFFFAOYSA-N 473.555 1.763 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCNC(=O)[C@H]1CC 1772660352 JEYKKXIHOPYCAD-GOSISDBHSA-N 454.556 1.809 30 10 JDEE C#C[C@]1(O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)C=C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC 1848437828 HRFIGUNIDWUIBL-XIUHWXOPSA-N 486.561 1.575 30 10 JDEE C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@H]1CC[C@]2(CC#N)O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]1O 1848437858 NABJBPJRLFFNEZ-QSWHPTJISA-N 487.549 1.754 30 10 JDEE CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)nc(OCc1nc(C)c3ccccc3n1)n2C 1848440138 WVNWHFHJDXLANG-QGZVFWFLSA-N 472.553 1.911 30 10 JDEE CC(=O)N1CCCc2cc(S(=O)(=O)N[C@@H]3CCN(S(=O)(=O)c4ccccc4C#N)C3)ccc21 1858334093 BQENTWAPUHUMDY-LJQANCHMSA-N 488.591 1.599 30 10 JDEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862568126 JCIGNAMOCLFRIL-JEOXALJRSA-N 455.423 1.907 30 10 JDEE C=CCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 1870576238 SMPRQCJDYSOASG-UHFFFAOYSA-N 496.593 1.924 30 10 JDEE C=CCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CNc1ccc2c(c1)C(=O)N(C)C2=O 1870976062 XICJWGHOKXEZIC-UHFFFAOYSA-N 495.580 1.709 30 10 JDEE N#Cc1c(NC(=O)COc2ccc(S(=O)(=O)N3CCN(CCO)CC3)cc2)sc2c1CCC2 1872720030 KUACYYXBBODENN-UHFFFAOYSA-N 490.607 1.425 30 10 JDEE CC(C)(C)OC(=O)NOCCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2247902972 YQYPOPZTCULWRN-UHFFFAOYSA-N 463.387 1.318 30 10 JDEE CC(C)(C)OC(=O)N1CCSC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255631499 ZSWFQWUYYKKAQM-CYBMUJFWSA-N 452.386 1.791 30 10 JDEE CC(C)(C)OC(=O)NCC1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2255799165 CYGKKSYTDHLGFM-UHFFFAOYSA-N 473.426 1.729 30 10 JDEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(S(=O)(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2267704230 KHGDDHYSFFYNCV-LHSJRXKWSA-N 465.381 1.669 30 10 JDEE C[C@@H](CCNC(=O)OC(C)(C)C)N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267721284 OXOSFZILJHREEV-AWEZNQCLSA-N 472.417 1.643 30 10 JDEE CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)O2)C1 2268710689 IJNWIDMGLFDUAL-GFCCVEGCSA-N 466.369 1.366 30 10 JDEE CC1(C)OB(c2cscc2C(=O)N2C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C2)OC1(C)C 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COC[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2289508626 XZCFFGKTJKDSMU-HUUCEWRRSA-N 464.372 1.711 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1)C1CS(=O)(=O)C1 2319674029 HJFOVDYAJXOIPH-LSDHHAIUSA-N 458.386 1.619 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@H]12 2337406823 MUYJFLIPYZZRLQ-KFWWJZLASA-N 465.381 1.806 30 10 JDEE CCn1cc(C(=O)NC[C@@H](CNC(=O)OC(C)(C)C)OC)nc1B1OC(C)(C)C(C)(C)O1 2339878718 NVWWEKXWFWHSLX-AWEZNQCLSA-N 452.361 1.472 30 10 JDEE CC(C)(C)OC(=O)N1CCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@H](CC(N)=O)C1 2369314651 UGGRQHUEVZTFIA-CQSZACIVSA-N 464.347 1.821 30 10 JDEE COc1cc(S(=O)(=O)O)c(C)cc1N/N=C1\C(=O)C=Cc2cc(S(=O)(=O)O)ccc21 102884147 SNPXTALWZJMVRO-ZZEZOPTASA-N 452.466 1.909 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 609407108 JFYAJNDFDMUMMX-OAQYLSRUSA-N 466.563 1.944 30 10 JDEE CCOCCn1c(=C(C#N)C(=O)N[C@@H](C)c2ccccc2)sc(=Cc2cnn3ccccc23)c1=O 729669384 NOZSQKXFPPOITN-SFHVURJKSA-N 487.585 1.974 30 10 JDEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2nnc3n2CCCC3)c1 730442727 JYQOMHSQSUFTCS-IBGZPJMESA-N 479.610 1.795 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286391908 FPPJAEVBTGSRKE-PZJWPPBQSA-N 459.591 1.975 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1286395140 ZCECLEOQIIAZTI-IBGZPJMESA-N 451.556 1.232 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1286398290 WYXRXJXYABXYAZ-DLBZAZTESA-N 464.519 1.038 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(OCC(N)=O)c1 1286431018 MAUZGAVTVZFVIW-UHFFFAOYSA-N 498.591 1.827 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1286457817 WOYJBTPQECLTQB-IIBYNOLFSA-N 482.990 1.707 30 10 JDEE C#CCN1CCN(c2nnc(C3CCCC3)n2CCS(=O)(=O)N2CCSCC2)CC1 1286478811 GKOVPTYIUCLKBX-UHFFFAOYSA-N 452.650 1.070 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(OC)ccc2OC)CC1 1286490073 GOPUDUBBCMALHB-LJQANCHMSA-N 466.542 1.261 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](CC)N2CCCC2)CC1 1286663031 DXOIVBVHFJKRJO-WOJBJXKFSA-N 466.652 1.888 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(OCC(N)=O)c2)CC1 1286664103 TWJYNVNLLJADIB-SFHVURJKSA-N 459.572 1.495 30 10 JDEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCCS1(=O)=O 1286752700 FGYYAIXPHDRAGN-UHFFFAOYSA-N 465.601 1.563 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1286818856 QLXIMBQITQBOFP-QFIPXVFZSA-N 456.572 1.686 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)CC)c1 1300331654 NYDPVCZMFTYSHZ-VFNWGFHPSA-N 462.576 1.106 30 10 JDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1300457907 CDKDYPWNACBFDE-SFTDATJTSA-N 457.600 1.632 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccccc1CN1CC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1300495912 KSSCMXPEKJFSQC-XZOQPEGZSA-N 485.654 1.718 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(CC)(CC)OC)[C@H]1CCS(=O)(=O)C1 1300497138 XONRNWMCUKLETP-IRXDYDNUSA-N 472.633 1.012 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccs1)N(C)C 1300578177 IKZQCULDRFTRKZ-RTBURBONSA-N 490.655 1.438 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1300665812 OPASMEKMQMSFSG-KRWDZBQOSA-N 458.567 1.655 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC2=CCc3ccc(OC)cc32)CC1 1300682414 HMYSPPXFDBCZGJ-SFHVURJKSA-N 484.626 1.682 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(O)CCC[C@H]2C)CC1 1300728661 DDOTXMNLGMRGGM-OSPHWJPCSA-N 453.591 1.657 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(COC)CC1 1300885871 SSXBSTUGHGMFTP-AABGKKOBSA-N 497.662 1.845 30 10 JDEE C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1300928372 AZXDTCPHQAGRAX-MRXNPFEDSA-N 455.498 1.469 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1300990675 MPJCEIUNSQLATG-OAQYLSRUSA-N 494.706 1.768 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1301258030 JOPKKIIJZDUKIA-OTWHNJEPSA-N 469.608 1.209 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1301509106 AGDZPGJJAIKDAN-UHFFFAOYSA-N 497.625 1.885 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1301567206 VUMOOMLMOOWCCI-REWPJTCUSA-N 476.599 1.805 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1301596443 PCSYLSBYGSAIBM-QZTJIDSGSA-N 450.565 1.525 30 10 JDEE COCCN(C(=O)CN1CCC[C@@](C)(C#N)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1307601350 GLVNSOXJOWKTKT-QHCPKHFHSA-N 454.531 1.184 30 10 JDEE CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(C)(=O)=O)C2)CC1 1313944862 HXDKETZHPDPXPW-HXUWFJFHSA-N 457.604 1.078 30 10 JDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccnc2OCC(F)F)CCOC1 1314137527 BCLSNGHCTQELNZ-IERDGZPVSA-N 464.473 1.746 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1358965218 QGTMQBBBIOOION-DRKIFQHWSA-N 476.624 1.415 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1COCCO1 1359025709 WXZRMSWAUOOCTO-RTBURBONSA-N 479.578 1.478 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1359042743 RVBBOLFRSGOKPH-UHFFFAOYSA-N 499.637 1.413 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)ccc2C1 1359132748 DUQIMVSYVSUNRT-HXUWFJFHSA-N 479.578 1.906 30 10 JDEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1359221845 PLGNPYOFWOEYEK-UHFFFAOYSA-N 476.603 1.822 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOCC2(CC2)C1 1359292454 PMCZLWVZUKGGHE-UHFFFAOYSA-N 458.950 1.781 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1359297682 YMWFPXNNNBEVIT-UHFFFAOYSA-N 464.574 1.702 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1359299651 KLNAVUQSTLTBEL-XLIONFOSSA-N 467.574 1.423 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1359300666 IABFCVJZQRBAEC-ACJLOTCBSA-N 479.525 1.012 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 1359301616 DNIWNHASLOSXTR-UHFFFAOYSA-N 460.517 1.903 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1359302972 ZPTNDRQVRYPONF-UHFFFAOYSA-N 457.604 1.917 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1359327142 SYNOYLNQYTULKW-SJORKVTESA-N 459.576 1.199 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1359342203 RMAOYAVWYMFDOY-INIZCTEOSA-N 459.576 1.844 30 10 JDEE N#CCc1ccc(Oc2ccc(C(=O)N3CCN(S(=O)(=O)c4nc[nH]n4)CC3)cc2)cc1 1447550711 CFMBYTJUVOJENP-UHFFFAOYSA-N 452.496 1.810 30 10 JDEE CS(=O)(=O)N1CC[C@@H](Cn2c(COc3ccccc3F)nnc2N2CC[C@@](F)(C#N)C2)C1 1505136886 DGNXIJSDZOZBBN-FOIQADDNSA-N 466.514 1.720 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)c1ccco1 1507606441 LWVPADMMDFPMEC-UHFFFAOYSA-N 456.528 1.288 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1507626063 MQMXSTPLUNOXPO-NQIIRXRSSA-N 475.527 1.286 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1507632719 PHCNBLHVOXQFTI-LVCYWYKZSA-N 467.661 1.584 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1507634374 YLONVFJCIJKOGI-LSDHHAIUSA-N 466.514 1.575 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507636687 JCJGQFIJZHMKHH-MRXNPFEDSA-N 461.448 1.261 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1c(C)cccc1C 1507670837 CRUCFCZFIMISFD-NRFANRHFSA-N 485.610 1.770 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@@]2(C)CN(C)C2=O)n1 1507715908 DPAZEUXOGVGBIS-WMZHIEFXSA-N 455.563 1.481 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC2CCN(CC(F)(F)F)CC2)CC1 1507723707 RMYXXYXBYFBELQ-GOSISDBHSA-N 467.540 1.649 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)CC1 1507735372 UMZOMCYIOVQNKN-UHFFFAOYSA-N 480.594 1.607 30 10 JDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1507824083 QJEMNCUIUJIWEH-UHFFFAOYSA-N 488.599 1.777 30 10 JDEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NC)CC1 1507845804 QAJVQOWLYJZXOS-GOSISDBHSA-N 493.609 1.641 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1508078773 HMEOREYWUZMJMV-QGZVFWFLSA-N 469.571 1.314 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1508144501 FEGAFNCCTDZMGB-UWVAXJGDSA-N 478.571 1.632 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1508148499 ILOYHOFDGINNQM-UYAOXDASSA-N 493.605 1.754 30 10 JDEE CC(C)(C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1508466516 HARAUODMPQAAJB-RBUKOAKNSA-N 465.558 1.841 30 10 JDEE COc1ccncc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1518540703 CBBMZFPHIIUSKE-LJQANCHMSA-N 475.575 1.193 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1519222026 CWQWRTMYZUBKLE-FDDCHVKYSA-N 456.547 1.037 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539206627 SOEHLYYUCYWQDG-PZJWPPBQSA-N 457.600 1.921 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(C(=O)NCC)cc1)[C@@H]1CCS(=O)(=O)C1 1539225305 MSAAIYMHHWCPHG-HXUWFJFHSA-N 455.584 1.655 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2cccc(C)n2)CC1 1539469016 MGEXPZJDQWKPAY-VWLOTQADSA-N 466.586 1.842 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC1CCOCC1 1539516802 DFZUFTXVBQBPIS-SFHVURJKSA-N 471.649 1.230 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ncnn2-c2ccccc2)CC1 1539873632 AAXUATGSIUVHHN-INIZCTEOSA-N 456.576 1.920 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1540864762 JYOWWTJCKJRRSP-OPAMFIHVSA-N 475.571 1.035 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1540870894 ZNYFEJJTXZUWDZ-HXUWFJFHSA-N 488.614 1.126 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1540904323 MBDSXEDMGFYINI-UHFFFAOYSA-N 495.671 1.638 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1540905254 SFUWZBFDLLICPL-GJZGRUSLSA-N 451.515 1.456 30 10 JDEE Cc1nc(S(=O)(=O)N2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(F)(F)F)CC2)cn1C 1542949419 CZOXCFBMSUXHJF-UHFFFAOYSA-N 494.503 1.932 30 10 JDEE CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1548322700 CLSCCIWTMLSCRB-CVEARBPZSA-N 468.580 1.514 30 10 JDEE CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1548322706 CLSCCIWTMLSCRB-HOTGVXAUSA-N 468.580 1.514 30 10 JDEE C=CC[C@H]1CCCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1557407786 QYLYZGIYEHPRRW-DOTOQJQBSA-N 451.545 1.185 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1587861991 RONMXHHRWSKCEZ-LJQANCHMSA-N 493.586 1.818 30 10 JDEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1587888984 QRRFNWYHKNZEDL-UHFFFAOYSA-N 482.585 1.842 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1588029170 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C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC(=O)Nc2ccccc2)CC1 1588752774 VHIPJWWVCGAHGY-XMMPIXPASA-N 452.559 1.714 30 10 JDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O)C1CC1 1595021007 QHNGWYXTBLZLMY-BQFCYCMXSA-N 486.664 1.247 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1595550204 ABKLXNZHHKTZAV-JKSUJKDBSA-N 478.550 1.064 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3nc(C)cs3)C2)nnc1[C@]1(OCC)CCOC1 1595602527 MILXUMGJPNJXOO-IERDGZPVSA-N 462.576 1.575 30 10 JDEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1595878560 QBYWGESRDNPONG-GOSISDBHSA-N 495.675 1.992 30 10 JDEE C=C(C)CNC(=O)CSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 1617007967 SEAKCUGMWSEHLU-UHFFFAOYSA-N 457.574 1.080 30 10 JDEE C#CCn1ccc(CN(CC)CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)n1 1617668088 LSVOPFXVCURRSA-UHFFFAOYSA-N 457.600 1.488 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(S(=O)(=O)N3CCCCC3)CC2)cc1 1652499093 YGRGHFABNJJSAW-UHFFFAOYSA-N 455.602 1.571 30 10 JDEE 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1.891 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC(=O)NCC(F)(F)F)c1 1705506684 FNRTXUMHJUHYEG-UHFFFAOYSA-N 485.470 1.999 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2cc(C)ccc12 1705551023 FDBGNBYYXZVSLQ-FQEVSTJZSA-N 456.572 1.713 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1705559859 BOGGKLRCJBYMAZ-NZQKXSOJSA-N 458.584 1.914 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1705640234 KFFLTAYKPRFUFK-GHVJWSGMSA-N 479.972 1.804 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1705644233 JMUJPPYVDWGKOA-PZJWPPBQSA-N 477.569 1.872 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1705648419 VZVWJWVQKFFEFI-JJVXONKQSA-N 482.610 1.122 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705714406 PRNRVDFPOYBPPF-KRWDZBQOSA-N 495.675 1.922 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCN(C(C)=O)CC1 1705861368 CLDHLUPBRPBASE-QFIPXVFZSA-N 486.642 1.537 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1705896777 XUDXUNUSOMAGPJ-UHFFFAOYSA-N 497.600 1.992 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(C)COCCO2)C1 1705919341 BXJKNPODCDASBF-AVRDEDQJSA-N 462.572 1.935 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1705932242 QORFAZQLHXJFIQ-GOSISDBHSA-N 483.598 1.769 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1705932459 DTMBXEWFMKRPOM-UXHICEINSA-N 462.572 1.939 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Cn1cccn1 1706747016 HKIZKYBMUNWWBU-WIYYLYMNSA-N 498.613 1.642 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1722370317 BINNMNGCPVOCCK-CVDCTZTESA-N 474.583 1.332 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1722370546 OPSKOUWHMJJMKD-RTBURBONSA-N 474.583 1.919 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1722372297 TWNPRRUSXSGWGN-LJQANCHMSA-N 473.574 1.799 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@@](C)=O)CCC1 1722378678 HBFSBHQPPCNONJ-WJOKGBTCSA-N 458.613 1.612 30 10 JDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722385381 GYBCYLMCJYRXEH-FQEVSTJZSA-N 455.584 1.426 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCCC 1722396027 FISUFYSUMFUPQL-SFHVURJKSA-N 458.563 1.576 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C/c1ccccc1 1722396730 KFEZFPFNYMEEGF-BGVYSJOJSA-N 453.568 1.787 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1722441690 OIWZYVBUMSABEO-GHVJWSGMSA-N 479.516 1.278 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1722444593 BZRUSJNMMUTOOH-UHFFFAOYSA-N 494.621 1.842 30 10 JDEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCNS(=O)(=O)CC)CC1 1722578424 LQFLHYGDUVYSAG-UHFFFAOYSA-N 485.614 1.924 30 10 JDEE C=CCN(Cc1cccs1)c1nnc(-c2noc3c2COCC3)n1CCNS(C)(=O)=O 1722662788 MFIKNCFRSINDHL-UHFFFAOYSA-N 464.573 1.809 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722663596 BVJFBYKHHWUSDQ-WBVHZDCISA-N 464.617 1.765 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1722702633 NXCBRJPKXGRWQO-QEUVDIPISA-N 490.649 1.866 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1722712830 ADZOAKLYIDQQKG-UXHICEINSA-N 468.558 1.564 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1722727396 OEAAIAGBVKKHCH-MRXNPFEDSA-N 480.978 1.558 30 10 JDEE Cn1cc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NCC(F)(F)F)CC2)cn1 1729575357 CNDSQSKHVAVIMP-UHFFFAOYSA-N 473.463 1.555 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740583115 VMKZMWSNGTUTDO-HSZRJFAPSA-N 484.582 1.577 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1740684616 WQYPPDPHRZQDJJ-SFTDATJTSA-N 452.559 1.216 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCNC(=O)c2cccs2)CC1 1740699346 CGLXNLOFUMNPAZ-UHFFFAOYSA-N 483.623 1.516 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1740717503 UNKIYNJSDXRTRS-IRXDYDNUSA-N 483.660 1.992 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(CCC)C(=O)C1 1740864093 JMYWLDBOZYPJKZ-SFHVURJKSA-N 468.624 1.416 30 10 JDEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740930184 PMHPOAQWRMXFLS-QGZVFWFLSA-N 493.659 1.698 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1740950807 IEIMFFBDANJKDH-UHFFFAOYSA-N 483.548 1.354 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1740963938 BJEWQJRUJHIJIZ-UHFFFAOYSA-N 476.516 1.892 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1740995577 QCCNXESRIVSCPC-HXUWFJFHSA-N 489.690 1.956 30 10 JDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1741006962 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C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1507562932 BIYKQVFLQLQVJF-UYAOXDASSA-N 475.619 1.662 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1507623932 ZJZFCQILCDXYCD-CRAIPNDOSA-N 497.581 1.961 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCNS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1507626026 MMQOUNCIDHSOSJ-KRWDZBQOSA-N 486.019 1.165 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1507630441 YVRYTRFIIZPKRR-QGZVFWFLSA-N 470.555 1.905 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC[C@H](OC)C(F)(F)F)CC1 1507721719 SRGNVCIJSFBORZ-SFHVURJKSA-N 475.479 1.643 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@]2(O)CCN(C)C2)CC1 1507735528 XNVDJUDHFLNUSA-SANMLTNESA-N 496.612 1.385 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)C[C@H]1C 1507807290 PJPOGWHPNNNFFS-QINHECLXSA-N 458.588 1.918 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1507831667 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1540875256 FXLVDTZXYHFOJT-JOCHJYFZSA-N 456.503 1.199 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1540898928 YRCANKPLJLEIFK-UHFFFAOYSA-N 474.974 1.856 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCN1CCCC1 1541673871 GPWXANWOFGJWTG-UHFFFAOYSA-N 451.579 1.495 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CC1(N2CCCC2)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588030090 PILOFAXKWUBKRB-LJQANCHMSA-N 463.648 1.847 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CC(=O)N1CCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 1588030448 VQXPDKSCNHKUFR-OAQYLSRUSA-N 498.653 1.551 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588051004 ZDMWUEMRVICDNU-SJORKVTESA-N 489.602 1.617 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OCCN(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1588053745 HXOIQSWGQFYWMC-NHCUHLMSSA-N 487.626 1.397 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588055516 XBJNJQRQOBRUFM-KZNAEPCWSA-N 463.629 1.773 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1CCS(=O)(=O)CC1)[C@@H]1CCS(=O)(=O)C1 1588059827 VWEBWBNYAFXWMT-LJQANCHMSA-N 494.614 1.460 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588070048 VJGKODZAMCLWDP-IAGOWNOFSA-N 479.628 1.567 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CN(C)C(C)C 1588139167 MTWFKBWSYJWNJG-HSZRJFAPSA-N 498.653 1.572 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)NC(C)C 1588228569 HIIYALOFJDTKOC-UHFFFAOYSA-N 484.630 1.243 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2ccn(C)n2)CC1 1588907869 ICXBZOSNHAUUFB-UHFFFAOYSA-N 477.569 1.904 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)Nc2ccccc2)CC1 1588962092 TVGWENVPWCVFSG-UHFFFAOYSA-N 477.569 1.395 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)nc1 1589664067 UDSNSDRKPSNOND-IBGZPJMESA-N 460.604 1.863 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)C)CC1 1595497041 OGVDHXKOKLMRED-UHFFFAOYSA-N 475.619 1.028 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)NCC)CC1 1595506524 CEKVQFQURPBFNH-UHFFFAOYSA-N 457.535 1.116 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1595788703 HLFKRBAXRJCZEP-IBGZPJMESA-N 460.535 1.996 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1595789318 QRHZJWLUOAKMCL-UHFFFAOYSA-N 495.609 1.997 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccccc2C1 1595798039 LRSBCAJPQSQYRT-SFHVURJKSA-N 450.586 1.344 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1595822066 GHGOLYMRQCHNKE-QGZVFWFLSA-N 450.565 1.881 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2O)cc1 1597566846 CFOCIFOZFAOSJG-UHFFFAOYSA-N 450.900 1.773 30 10 JDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1615094802 GEACAEGJZTVHES-SFHVURJKSA-N 451.575 1.985 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1615907376 GUPPJOSDMJXCLI-GOSISDBHSA-N 487.630 1.745 30 10 JDEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)C1CC1 1619006634 GNPMVGKDYACMGR-LJQANCHMSA-N 460.560 1.235 30 10 JDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)CCS(=O)(=O)c1cccc(Br)c1 1630764366 FLRJVNONHQAZCW-UHFFFAOYSA-N 454.350 1.881 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCN2CCOC(C)(C)C2)c1 1689873694 SNOUKLSTVIFARF-UHFFFAOYSA-N 493.612 1.568 30 10 JDEE C#CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1 1689982554 PZHSFBJDMMYBFN-QGZVFWFLSA-N 478.644 1.829 30 10 JDEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1689983782 HJBBDZRYASMEMK-SFHVURJKSA-N 489.598 1.457 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1689989155 BKFOEGIPCGISPP-AQNXPRMDSA-N 497.687 1.071 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1CCc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1689991141 WUXAWUNPEWNXJT-HXUWFJFHSA-N 455.584 1.775 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Cc2ccc(F)cc2)CC1 1690019854 SRORGHUMOJQPLL-OAQYLSRUSA-N 485.585 1.846 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C1CC1)N(C)C 1690036832 CPBMYSOGQFZWIQ-JOCHJYFZSA-N 468.627 1.999 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2cccc(F)c2)CC1 1690137205 QCLCWLMAICXRIR-QGZVFWFLSA-N 490.605 1.626 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](OC)[C@H](C)CC)CC1 1690137388 XBTIQRNQWBGILM-IEBWSBKVSA-N 467.574 1.952 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(COC)CC1 1690246144 RHCHUVMOYNXTJH-AABGKKOBSA-N 481.619 1.375 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCCOC)C1 1690247115 ZZMVEGVQDVZFQB-WCIQWLHISA-N 468.620 1.793 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(N)=O)CC1 1690432995 QJOJXGLKHOXQLC-KRWDZBQOSA-N 468.624 1.305 30 10 JDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690464615 HAPGMIGJLMXZKY-SFHVURJKSA-N 452.625 1.183 30 10 JDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 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C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCNC(=O)C(C)(C)C)CC1 1740696011 JLLNXDCMEPLILO-FQEVSTJZSA-N 452.559 1.708 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)Oc2ccccc2OC)CC1 1740708262 JBGLRCQRYXSHPX-IBGZPJMESA-N 494.596 1.842 30 10 JDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(S(C)(=O)=O)CC1 1740750708 TWXVMZQLMSRFBH-GJZGRUSLSA-N 478.413 1.382 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1740988916 TWMAYBUMCHKSFD-QGZVFWFLSA-N 468.601 1.568 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1740990510 VGJWICCVZWTZDF-IBGZPJMESA-N 460.604 1.550 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1740993587 AJHQLNWQLFSXDV-HXUWFJFHSA-N 451.637 1.770 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCS(=O)(=O)N(C)C 1748666545 CRAAPZBXFBYDLU-MRXNPFEDSA-N 471.587 1.414 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1748801688 DNUKZRSDJIACQO-ADKAHSJRSA-N 451.593 1.248 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1748802133 LPXMENCMRKTWOH-LJQANCHMSA-N 485.614 1.428 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1748805833 WXJBOXBZTHVLBC-DYESRHJHSA-N 479.628 1.565 30 10 JDEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1748809529 UYSWGEXIXQXWSH-PXDATVDWSA-N 485.654 1.936 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1748818303 AEVDODMOASTWMF-FQEVSTJZSA-N 465.583 1.788 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1748820021 XKBHCGMUKQKGQQ-OAQYLSRUSA-N 469.611 1.766 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1748824933 UDSJNUUSAKDRPX-BJLQDIEVSA-N 476.603 1.027 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1749139167 BUOGIMGDKNNIDO-SRYPRDQNSA-N 497.662 1.770 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@@H](CC)C1 1749652359 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C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)C(C)(C)C)c1 1760129201 ZQRMEQRSJQKMQQ-SFHVURJKSA-N 465.558 1.448 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1760174165 DWDFKTINVLNXET-QFBILLFUSA-N 487.504 1.131 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760181164 QNKRHWPPLDWZAV-NFBKMPQASA-N 480.631 1.762 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C[S@@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1760187161 IIFPMHMVDOQOPP-IYZCWWITSA-N 476.624 1.336 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)N1CCOCC1 1760195350 ALLAXTPFQODJTA-SFHVURJKSA-N 469.615 1.340 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(CCN(C)C)CC1 1760209118 VLPTXRUUMFYECZ-UHFFFAOYSA-N 462.602 1.662 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1(O)CCOCC1 1760241671 GUCLZNJLAKLZOA-LJQANCHMSA-N 476.574 1.891 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1760346221 OMPACNBKFRQOJS-HNNXBMFYSA-N 487.508 1.559 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1760357347 IKLAZRUGTDATLL-RBUKOAKNSA-N 475.619 1.668 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)C2CC2)CC1 1760407245 YCLDUJRYEDZLCI-HNNXBMFYSA-N 452.625 1.986 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccccc2)CC1 1760529915 JDKUKZABYODDKB-FPOVZHCZSA-N 468.558 1.267 30 10 JDEE COCCn1cc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@@H](C)CC#N)cn1 1769869977 HULKGDJFIVEUHT-INIZCTEOSA-N 457.560 1.978 30 10 JDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccncc2)CCN1S(C)(=O)=O 1770672589 CBFARPJESXGJQG-SFHVURJKSA-N 481.582 1.837 30 10 JDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc2c(c1)OCCO2 1862610326 IBZKJZZXFYXTDJ-JOCHJYFZSA-N 480.473 1.943 30 10 JDEE C=CCN(CC=C)c1nc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)n([C@H]2CCS(=O)(=O)C2)n1 1870004506 BVECFMRFWQEZRD-HNNXBMFYSA-N 476.515 1.985 30 10 JDEE N#Cc1c(NC(=O)COc2cn(Cc3ccncc3)c(CN3CC(O)C3)cc2=O)sc2c1CCC2 1870324776 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FNPOFTDSWUHXNO-CYBMUJFWSA-N 455.386 1.988 30 10 JDEE CC(C)(C)OC(=O)NC1CC(F)(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267164725 WDXKEALSOAMFDZ-UHFFFAOYSA-N 450.320 1.901 30 10 JDEE CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267264619 UKBFGHCVHHCMQI-NRFANRHFSA-N 451.377 1.784 30 10 JDEE CCC[C@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)NC(=O)OC(C)(C)C 2267369184 SXOSDKJRIWGKOJ-CQSZACIVSA-N 472.417 1.691 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1O 2267547693 NDXKFXKZADSCLB-CFVMTHIKSA-N 467.397 1.836 30 10 JDEE C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267707615 UORMNLIMESCDEH-MRXNPFEDSA-N 461.397 1.009 30 10 JDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)[C@H]1OC 2271460218 FILAKACLXASZQT-ZACQAIPSSA-N 452.357 1.777 30 10 JDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@@H]32)C1 2281234167 YDPVGXOSPWORNY-LLUXXFGUSA-N 497.614 1.538 30 10 JDEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CNC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)O2)C1 2281987796 DFDIWXGWJHKFQI-CQSZACIVSA-N 462.356 1.607 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)[C@H](C(F)F)C1 2282037124 RHXNAWJKKSSNKY-OCCSQVGLSA-N 470.326 1.950 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 2282042610 HYSOKNTUKCJWOF-OAHLLOKOSA-N 464.372 1.475 30 10 JDEE CO[C@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)N(C(=O)OC(C)(C)C)C1 2282053649 JISIOGBSUQRMJB-GJZGRUSLSA-N 464.372 1.474 30 10 JDEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2282471588 LNUAFMTVILJAPN-UHFFFAOYSA-N 463.315 1.330 30 10 JDEE Cc1c(C(=O)N[C@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593377 PUFLIRAYAJZAER-GJZGRUSLSA-N 464.372 1.440 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@]1(C)CO 2282682552 QCZCLCKHMMMRGD-HSZRJFAPSA-N 463.384 1.768 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2C[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)n1 2282837039 RPFAGEDKPGQRHX-FVQBIDKESA-N 482.412 1.396 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2282853440 CWHLAXTXOKKWCF-HUUCEWRRSA-N 484.428 1.691 30 10 JDEE CCN1CCN(c2c(C=C3SC(=S)N(CCC(=O)O)C3=O)c(C)c(C#N)c(=O)n2C)CC1 2314457258 BZFWNARNUPDLTA-UHFFFAOYSA-N 475.596 1.383 30 10 JDEE CC#CCN(CC(=O)N1C[C@H]2[C@@H](CO)N(C(=O)OC(C)(C)C)C[C@H]2C1)C(=O)OC(C)(C)C 2316010585 HDHHOZJFRBCYNR-KZNAEPCWSA-N 451.564 1.933 30 10 JDEE COc1cccc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@H](O)COc2ccccc2)c1O 2318581788 ORJGDQSRKYLBRK-INIZCTEOSA-N 494.508 1.034 30 10 JDEE C=CCOC[C@@H](O)Cn1c(NN=Cc2ccc(Br)cc2)nc2c1c(=O)n(C)c(=O)n2C 2328613584 COWCXBQRSWLNHC-HNNXBMFYSA-N 491.346 1.206 30 10 JDEE CCN(CC)C(=O)CSc1nnc(COC)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2331549086 XGIBGXUQVHCRKQ-UHFFFAOYSA-N 464.504 1.947 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2380427613 GKVBJOMAGLBCBT-OAHLLOKOSA-N 484.428 1.786 30 10 JDEE N#CCC(=O)N1CCC(NC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)CC1 219562567 ZGKIPQIFHBCGFM-UHFFFAOYSA-N 461.316 1.846 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cccc(OC)c1 729670263 OUHILSJHMYDMLT-UHFFFAOYSA-N 457.515 1.361 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 1137752479 WSDHYNXZXLRQRP-AWEZNQCLSA-N 450.604 1.004 30 10 JDEE CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)c1 1144417495 ADPFKVFLTJYLEM-YWZLYKJASA-N 455.540 1.579 30 10 JDEE C#CCN1CCC[C@@H](NC(=O)NCCNS(=O)(=O)c2cc(C)ccc2Br)C1 1227987766 XBWDVYYVXBMSSK-OAHLLOKOSA-N 457.394 1.433 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1286341913 KCFHLQCIVHRPAN-MRXNPFEDSA-N 457.622 1.239 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CCCN1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 1286388148 YWFRHXXSJUNJCS-FQEVSTJZSA-N 471.627 1.727 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286392948 IFTFRWJWOSETRT-SFHVURJKSA-N 493.580 1.496 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc([C@@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1286393463 LGEWYJOGLVXSEL-UIFIKXQLSA-N 458.584 1.900 30 10 JDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1286499942 WUCVCNGJCIMHGN-UHFFFAOYSA-N 469.571 1.620 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1286592552 KUKZSMHDFYZHTE-GHTZIAJQSA-N 490.630 1.911 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1286776243 LNHVPOIOBAGTSH-RXVVDRJESA-N 482.006 1.634 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1286798679 NIAGUXSIEPBTLE-FUHWJXTLSA-N 453.609 1.803 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1286820988 XEPWAEANBQEZOD-LJQANCHMSA-N 471.587 1.714 30 10 JDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286831064 SQMZLELJEDXXLD-AWEZNQCLSA-N 468.605 1.443 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1296287537 AXJIADYIHBRDNW-QHCPKHFHSA-N 494.644 1.432 30 10 JDEE COc1cc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cc(OC)c1OC 1299888693 BDXUZNUIWKFEIJ-INIZCTEOSA-N 456.503 1.203 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1300479380 NETDFUGKWSIOIK-MOPGFXCFSA-N 463.604 1.490 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O)[C@H]1CCS(=O)(=O)C1 1300506369 REDZZYPZUWIOTN-YSIASYRMSA-N 489.573 1.240 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1300509460 MCFJKQIPLHSNHI-LLVKDONJSA-N 477.900 1.415 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(OC)CCOC2)CC1 1300700677 UIJKGZLGRGREIN-NBGIEHNGSA-N 488.633 1.953 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cc(C)oc1C 1300805807 IPWZLNLSDZBPOB-WWPVKYPJSA-N 491.614 1.721 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1300971928 HOZATTSHUWPWNV-IAGOWNOFSA-N 457.597 1.255 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(F)(F)F)CC1 1301257963 HVNQPNYNELOJQM-INIZCTEOSA-N 479.525 1.903 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CCOC)[C@@H](C)C2)cc1 1301527552 YTDYZIVHDXHCSD-GHTZIAJQSA-N 454.575 1.999 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)c2cccs2)C1 1301557100 MMVOFQDXOVHVSO-LZJOCLMNSA-N 497.643 1.362 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccn(C)n2)c1 1358901516 NIJVNGXXDOAQNS-XMMPIXPASA-N 463.542 1.768 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1358920387 YBLDMVRCTVBJNN-QGZVFWFLSA-N 473.603 1.860 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358965042 MTXWYTCALXMCOR-GOSISDBHSA-N 468.587 1.285 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(Cl)cccc1OC 1358979624 SIMXLNHGICPREV-IBGZPJMESA-N 477.974 1.394 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2COCCO2)CC1 1359047244 XRJRSVDKGXYVCJ-JOCHJYFZSA-N 451.571 1.835 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1359057241 VWADVOXEGLEJHA-IERDGZPVSA-N 464.588 1.784 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(C)c1 1359070020 CYCKKSJXTOHDRY-WMZHIEFXSA-N 455.584 1.911 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CC=CCC1 1359133548 UMLIXQVGXZLTTK-RTBURBONSA-N 453.609 1.996 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1359331371 WTDGQNSTHCBLJQ-GOSISDBHSA-N 496.659 1.705 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(OC)c1 1359332948 KSYOLWRTJGAQGW-KRWDZBQOSA-N 468.601 1.426 30 10 JDEE C#CCN1CCCN(C(=O)CCc2nc3c(c(O)nc(=O)n3CCCC)n2CC(C)C)CC1 1444336439 GDILHWNCVUYGRC-UHFFFAOYSA-N 456.591 1.855 30 10 JDEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC1(C(N)=O)CCOCC1 1498108115 FDODASSIRSWZQM-GOSISDBHSA-N 454.531 1.430 30 10 JDEE 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C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSC(F)(F)F)CC1 1286492511 HLDKBNXLTGAZNE-CQSZACIVSA-N 479.550 1.399 30 10 JDEE C=C(Br)Cn1c(N(C)CCNS(C)(=O)=O)nnc1[C@]1(OC(C)C)CCOC1 1286547532 NCJQLSQPFRRAAF-INIZCTEOSA-N 466.402 1.213 30 10 JDEE C=C(C)COCCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286613756 FOOFYCCJMUKZPH-BWKNWUBXSA-N 490.649 1.654 30 10 JDEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 1286701548 YCCQJMAJRYAGPD-UHFFFAOYSA-N 478.601 1.899 30 10 JDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1cc[nH]n1 1286727311 PDKMXHNQELZNCV-MRXNPFEDSA-N 460.539 1.362 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(F)F)C1 1286782508 XAPKXIWUQOVWFI-MRXNPFEDSA-N 482.557 1.979 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCCN(C(=O)C2CC2)CC1 1286791167 OGEKOABQWLJWHJ-UHFFFAOYSA-N 458.513 1.898 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CCC(OC)CC2)C1 1286810558 SSVCVLKRBJTVEH-TZWRJOPASA-N 497.662 1.988 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1286821038 YVSPWZOBHPGWQR-RBUKOAKNSA-N 464.592 1.915 30 10 JDEE CC(=O)N1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccccc3C#N)CC2)C1 1286855289 AHOGGISTLFOJRW-HXUWFJFHSA-N 478.601 1.873 30 10 JDEE C#CCCN1CCN(C(=O)c2cc(I)ccc2N2CCOCC2)CC1 1292437956 UJIZQXVFVFXYEA-UHFFFAOYSA-N 453.324 1.909 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CCS(=O)(=O)N1CCSCC1 1298326877 CMVJDVQUPJKBNQ-UHFFFAOYSA-N 484.611 1.622 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-n1ccnc1 1300308548 CMQJPHUPGMBVNV-PXNSSMCTSA-N 469.571 1.303 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC[C@H]1C[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1300485104 WZVHBISIQBNVFS-IKVWTGGYSA-N 454.568 1.695 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300489280 LIOQZHUMMSPEMD-IBGZPJMESA-N 478.582 1.838 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300493080 QLGLQCVOIXOSOZ-QGZVFWFLSA-N 458.588 1.438 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300653611 NQFNKNULXWCKKG-IERDGZPVSA-N 466.535 1.193 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1300734066 PWRREKPRYPDFJX-UONOGXRCSA-N 469.555 1.802 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NCCOC)CC1 1300880030 GUIAGIDUNOZHBP-NQIIRXRSSA-N 457.579 1.139 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1300952496 WQYMIJCHERZULK-SFHVURJKSA-N 464.548 1.774 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn2ccc(C)cc2n1 1301402936 JJPJYSQDOKGKTM-IBGZPJMESA-N 471.587 1.794 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1301493213 WMWJASRYXXNXKK-UHFFFAOYSA-N 476.541 1.076 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C(=O)NC 1301531396 LHVCLHGPYRVKLH-WMZOPIPTSA-N 461.588 1.612 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccccc2C)C1 1301557455 PCIZYCLFBJBWHC-CTNGQTDRSA-N 491.614 1.780 30 10 JDEE C[C@H](Cc1cccs1)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1303657855 BFTPIKYQVNMNJQ-JFIYKMOQSA-N 480.616 1.280 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C#N)CC1 1314555320 BSVXXWNLUUNMLN-UHFFFAOYSA-N 454.560 1.810 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@]2(C)COCCO2)c1 1358900713 QWJFBFYMJCEVTI-QHCPKHFHSA-N 454.531 1.278 30 10 JDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1358909366 CZALAIWWPWFNFZ-SIKLNZKXSA-N 452.607 1.861 30 10 JDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1358929181 TXXOOUZNDGPKMV-QGZVFWFLSA-N 464.617 1.861 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1csc(-c2ccco2)n1)[C@H]1CCS(=O)(=O)C1 1358955502 NBISTKADMBJANC-INIZCTEOSA-N 488.595 1.808 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358964970 LIZJJGCJTKZCPZ-FQEVSTJZSA-N 470.599 1.340 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1CC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358966913 ZKXSODHPDLMDJJ-SFHVURJKSA-N 497.543 1.759 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1358990834 DHKCOZBFADFIOZ-UHFFFAOYSA-N 457.586 1.727 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1358991828 QEJGPVCRDPLCDI-AREMUKBSSA-N 473.581 1.765 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2nsnc2c1 1359010682 WJCASAZSYHABRT-QGZVFWFLSA-N 461.573 1.124 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1359022920 QVODEEXEVLVAQR-HBFSDRIKSA-N 483.573 1.846 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1c(C)nn(C)c1C 1359091897 UKDHKLPAYUCAMN-AYBZRNKSSA-N 465.624 1.856 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1359216650 ZZQYRPDOXOLBNC-KRWDZBQOSA-N 477.591 1.204 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1359227873 OGABCHBVIXSFSM-ZWKOTPCHSA-N 471.624 1.455 30 10 JDEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1359251851 XGJGSJDUWOFIMU-JTSKRJEESA-N 497.618 1.291 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1359298391 XZZMUIJVMOELCH-KDURUIRLSA-N 453.591 1.968 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1359303506 QWZBXUFPBMNZAH-UHFFFAOYSA-N 471.587 1.124 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359329329 FYPNOSNGAAHMCF-AWEZNQCLSA-N 482.404 1.975 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359329564 NHCCYHAQTUFIMM-OAHLLOKOSA-N 493.977 1.067 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)OC(C)(C)C1 1359331064 MIRVUFBOMUVAIZ-CQSZACIVSA-N 451.549 1.610 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(Cn2ccnn2)CC1 1359331152 OQTDPQPGTYSKET-UHFFFAOYSA-N 456.576 1.757 30 10 JDEE C#CC[C@]1(C(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)CCCN1C(=O)OC(C)(C)C 1435607887 BBIKMXZUOZFBKB-UZUQRXQVSA-N 453.547 1.954 30 10 JDEE Cc1ccc(N(CCC#N)C(=O)Cn2c(=O)oc3cc(S(=O)(=O)CCO)ccc32)cc1C 1473021475 GTISRJLWLHVDTD-UHFFFAOYSA-N 457.508 1.924 30 10 JDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCN1CCOCC1(C)C 1502208720 BMTMZPRFAIXNMV-UHFFFAOYSA-N 460.604 1.798 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCn3ccnc3C2)c1 1507547819 NKFQTKCFQKQRIW-LJQANCHMSA-N 474.569 1.932 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(C)on2)c1 1507551328 WKGXZFCEDWFZFT-QGZVFWFLSA-N 468.539 1.581 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507621550 BSCFDRGZNOUVBO-DOTOQJQBSA-N 455.606 1.015 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCC2(C1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1507625110 GJMBZVOFIILBFW-IPMKNSEASA-N 482.603 1.172 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1507630608 DAGZMCLFPRIKNZ-IBGZPJMESA-N 466.567 1.650 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1507632005 HWYHSEONCWIHOP-IRXDYDNUSA-N 497.419 1.806 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)CC1CC1)[C@@H]1CCS(=O)(=O)C1 1507634537 KYULIDXNTRDPKI-GOSISDBHSA-N 497.668 1.085 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCCCC2)CC1 1507739546 RFPIESPIBOGSMJ-CTNGQTDRSA-N 490.674 1.268 30 10 JDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507840741 PBUCFWFXRYWZSV-INIZCTEOSA-N 463.560 1.737 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1508135815 MMTPHFZESZDJIT-HNNXBMFYSA-N 463.560 1.230 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1508152382 LQORSPNCZSSDOT-BEFAXECRSA-N 469.637 1.293 30 10 JDEE C[C@H]1CN(S(=O)(=O)c2cc(C(=O)NCCn3cnc(C#N)n3)ccc2Cl)C[C@H](C)O1 1525393508 BJPABXMZQZFSTD-STQMWFEESA-N 452.924 1.031 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1538982286 CWRBQMJWMIZONS-BQHWHHKNSA-N 450.499 1.947 30 10 JDEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1539053107 LBADACKWYSYKBX-SFHVURJKSA-N 481.536 1.696 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC1(C(N)=O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1539213091 VPKAXNJGGQLHIA-SFHVURJKSA-N 492.001 1.507 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1539218937 GCGBZNOCJDRSAK-FQEVSTJZSA-N 473.574 1.694 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCc2cccnc21 1539326279 TZUICEBDOMWQRA-RTWAWAEBSA-N 482.610 1.589 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@@H]2CC(F)(F)CO2)n1 1539424608 UXJADLMHDJSSJD-KRWDZBQOSA-N 458.473 1.642 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1539601290 YSHYWBDQFBEPAC-STQMWFEESA-N 462.370 1.366 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2nc(COC)no2)CC1 1539606473 GILFCBDOWAKRKT-UHFFFAOYSA-N 495.382 1.161 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1COCCO1 1540134250 PRASIWSCPMWNMO-RDJZCZTQSA-N 453.540 1.635 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOC 1540135984 FHDDKBGCPUTUDQ-SFHVURJKSA-N 453.540 1.589 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(CC2CCOCC2)CC1 1540872769 ZUFCZDPANGQFDO-UHFFFAOYSA-N 468.602 1.728 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1540874039 SSYPNDRVGZOXQK-UHFFFAOYSA-N 466.586 1.823 30 10 JDEE C=CCNC(=O)Cn1c(N2CCCN(c3ccc(OC)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1540875901 BBHZFWMOJKDLQG-RUZDIDTESA-N 484.601 1.958 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccc(O)cc2)CC1 1540897834 TWRDUYIMKHSIAP-INIZCTEOSA-N 497.643 1.579 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccccc1)C1CC1 1540905944 XNPQBVPFBJZYQE-GOSISDBHSA-N 464.613 1.950 30 10 JDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCCCC1 1544574862 CBPRLRBRSSPYCB-SFHVURJKSA-N 465.558 1.798 30 10 JDEE C=CCn1cc(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCO3)nn1 1557104302 NSUVBXLVMPQAOU-UHFFFAOYSA-N 455.496 1.966 30 10 JDEE 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10 JDEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359136610 PLGNYDAPSGUCDY-UHFFFAOYSA-N 484.557 1.979 30 10 JDEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1359289721 GOXBIEWPNCGIFU-UHFFFAOYSA-N 482.585 1.992 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1359291621 XUGZLNCSOTYHQG-UHFFFAOYSA-N 471.606 1.482 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2csc(C)n2)CC1 1359326758 IZSPJOYDWLYKCP-UHFFFAOYSA-N 481.648 1.104 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1359332020 MSPYONPWQWEMHW-HOTGVXAUSA-N 465.542 1.846 30 10 JDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)CC1 1359374419 BTJRBQKHABMEGH-UHFFFAOYSA-N 456.572 1.700 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)C(C)(C)Cc2ccc(Br)c(C)c2)CC1 1471451235 QCYZODHXPGIUBT-UHFFFAOYSA-N 456.406 1.938 30 10 JDEE CC[C@@H](C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1494939971 DTNQSXLKTUWEMP-VGSWGCGISA-N 476.603 1.607 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1503833258 HAXXTRBHHFWXQL-IBGZPJMESA-N 483.602 1.491 30 10 JDEE CO[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)(C)C 1503982161 HWKOEOIASWYGGO-MSOLQXFVSA-N 452.563 1.884 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC)c1 1507550120 GDCONXIMWZWVSB-IBGZPJMESA-N 474.587 1.467 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC1CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1507623383 WJMAAQIZQCPATE-JLAWEPINSA-N 463.604 1.346 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1507633063 RHAXEIVZAAUANW-VQTJNVASSA-N 490.651 1.666 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1507639379 XQZGDDLPOZBILX-BJLQDIEVSA-N 459.572 1.381 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1507640972 XDMHYRWRKFSTBQ-URXFXBBRSA-N 472.611 1.886 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1507711217 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C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1539205955 KTJIBTDPTFKEDH-RDJZCZTQSA-N 479.990 1.834 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CC12CCOCC2)[C@H]1CCS(=O)(=O)C1 1539206935 XTZXOONIKXFHES-FHWLQOOXSA-N 466.604 1.446 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539216997 YZSMSHOZGQTADW-LSDHHAIUSA-N 460.482 1.273 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1539219686 LXYDXCAJBFFEHN-AOMKIAJQSA-N 480.537 1.579 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1539225081 LOGTVMDSPNEWTH-HXUWFJFHSA-N 468.583 1.736 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1539230078 BULZQGBQECFICI-LZLYRXPVSA-N 461.592 1.000 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539320170 QGJHBYZWUIPPCH-SFHVURJKSA-N 469.567 1.461 30 10 JDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC 1539744367 JSVDZOVHEVOKTO-MRXNPFEDSA-N 453.547 1.603 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1540866190 FYIZFNAHWKITTL-UHFFFAOYSA-N 491.552 1.622 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C2CCOCC2)C1 1540897668 OZJCUMCUPGGJCW-GOSISDBHSA-N 451.593 1.368 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(C)C)CC1 1540902533 LMNLWBXQQPBFML-UHFFFAOYSA-N 488.662 1.583 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1540907458 XJSVEGBKIONKEP-UHFFFAOYSA-N 492.650 1.324 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C(C)C)C1 1547786123 CZVLSGUYEIZKRQ-DENIHFKCSA-N 476.603 1.654 30 10 JDEE N#Cc1ccc(N2CCC3(CC2)C[C@@H](C(N)=O)N(C(=O)CN2CCOCC2)C3)cc1C(F)(F)F 1548380166 SKVQRZCYALTOEQ-IBGZPJMESA-N 479.503 1.582 30 10 JDEE C=C[C@](C)(O)C(=O)NCCNS(=O)(=O)c1cc(Br)ccc1Br 1584962270 JZYGWBDXVUSCHC-ZDUSSCGKSA-N 456.156 1.543 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1588039604 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1690676161 RNZGVIYZSGPQDK-PBHICJAKSA-N 489.374 1.637 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCC(O)CC2)C1 1690689579 HKLFCCBPJZOFIV-OAQYLSRUSA-N 489.642 1.977 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1690723722 ZFPCYJGMNYFFFI-WBVHZDCISA-N 478.550 1.412 30 10 JDEE C[C@@H](C(=O)N1CCCC1)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)CC1 1692694576 FNVPAEXVHSVUDL-UXHICEINSA-N 464.618 1.900 30 10 JDEE CS[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1698331033 BZFPLVFZYDSEJH-CABCVRRESA-N 464.621 1.233 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N1CCOCC1 1705481859 NTMYYJRSKLAJQF-ROUUACIJSA-N 460.604 1.374 30 10 JDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705531582 OPORWZNJTNHFPO-UHFFFAOYSA-N 476.541 1.181 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705564519 BKTQSMRWDLKWJT-FHWLQOOXSA-N 460.604 1.399 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1705567589 YZYBVWPDOMZMSO-SFTDATJTSA-N 473.647 1.816 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2c(F)cccc2F)CC1 1705644216 JELJWIONMMQJQE-UHFFFAOYSA-N 458.513 1.903 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1705648277 VBZFWOQIQNUGQB-AZUAARDMSA-N 469.634 1.706 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccco1 1705662282 VENVBQSQLOMEAM-WBVHZDCISA-N 453.590 1.768 30 10 JDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N(CCO)CCOCC(F)(F)F 1705686654 GSWSOTYGKAPSSG-UHFFFAOYSA-N 453.263 1.965 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc2n1CCCCC2 1705716302 GMQBFZPDJNJYRB-KRWDZBQOSA-N 478.623 1.380 30 10 JDEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1705829427 QJEWDWOVKJZFQF-UHFFFAOYSA-N 473.559 1.268 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1705902714 JBDMJMBDRVEDHT-UHFFFAOYSA-N 495.632 1.449 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1722358708 KZSBPSUXQYCKPT-QGZVFWFLSA-N 458.544 1.145 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1722359227 RCHSQBHVHBJIAZ-WMZHIEFXSA-N 489.573 1.188 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCNC(=O)C2CC2)CC1 1722436085 WGOZNKAKKNIAGI-UHFFFAOYSA-N 452.559 1.634 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@@H]1CCCO1 1722510660 WHHAETNXTFQCEV-WCIQWLHISA-N 483.635 1.598 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1722510828 WZVGRYHNTMPTCG-ILOCAZANSA-N 474.649 1.419 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1722685473 HELDKFKDOIGBQX-ROUUACIJSA-N 499.634 1.803 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1722699897 OSJHOIRYNLEEIV-GOSISDBHSA-N 456.566 2.000 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCn2cnc3ccccc32)C1 1722712046 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C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 1740690344 ISONFHOTUHCAKU-OTWHNJEPSA-N 466.652 1.485 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCN(CC)C2)CC1 1740702898 AXOYEQPAWVJCME-CPJSRVTESA-N 472.634 1.626 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1740707315 XWNCHMRZOIYGGS-UHFFFAOYSA-N 478.645 1.256 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1740953084 VEDWJNUCNNYHIK-QGZVFWFLSA-N 477.363 1.351 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1740985124 BSQSXZCRHHQYQM-QGZVFWFLSA-N 452.625 1.328 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1740994855 VPVIHUIAMXQIOZ-KRWDZBQOSA-N 464.617 1.572 30 10 JDEE CC(C)CN1CCO[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)C1 1741571889 DCTGCISGYFITAV-TZIWHRDSSA-N 467.574 1.397 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](c1ccsc1)N(C)C 1741917189 BWELAMRGLISCIP-YOEHRIQHSA-N 451.622 1.993 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(NC(=O)OC(C)(C)C)COC1 1748637523 BCIODVJYLQFZCG-OAHLLOKOSA-N 455.519 1.677 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccn2)CCC1 1748673053 YPQBJSWAVNWKHB-MSOLQXFVSA-N 458.588 1.586 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1748699173 LSECDWUXWHRNAC-INIZCTEOSA-N 454.597 1.749 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CC1(O)CCN(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1748808202 BEVOQQRXQIQATE-OAQYLSRUSA-N 471.627 1.807 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCC(=O)NC2CCCCC2)CC1 1749000907 DFZVBHQKTQJZPZ-UHFFFAOYSA-N 471.606 1.221 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1749230519 YMASMISNJXYXLC-KSEOMHKRSA-N 460.623 1.754 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1CCC(=O)N1CCOCC1 1749541823 UINYMISLRNZKQY-UHFFFAOYSA-N 458.538 1.997 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1C 1749590715 DUEQWFFNGZIOCL-FQEVSTJZSA-N 489.602 1.529 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C(=O)NC)cc1 1749685174 AELJGYXLHKCZKM-SJLPKXTDSA-N 461.588 1.612 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccsc2)C1 1749713816 ZATYQZMOVNGROG-MSOLQXFVSA-N 467.617 1.697 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@H](C)C1 1749738566 QDLONKOQOYOIBQ-HUUCEWRRSA-N 453.590 1.484 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nc(C)no2)CC1 1749744928 QZDXJFZARXBOOG-CYBMUJFWSA-N 455.610 1.883 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)NCc2ccccc2)C1 1750378005 DNZPAXKBVRLPGC-UWJYYQICSA-N 460.535 1.329 30 10 JDEE CC(C)c1ncc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)cn1 1750603114 GECSQORLLYXMEQ-HSZRJFAPSA-N 481.582 1.916 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)N(C)C 1760112402 GBUJZNCOADOVIE-MRXNPFEDSA-N 468.624 1.742 30 10 JDEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1760186172 BHQQSARHZCLGBL-AUSIDOKSSA-N 487.630 1.240 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1CC(=O)NCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760189239 SSKSXFXZRVBKHS-HXUWFJFHSA-N 455.584 1.531 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOC[C@H]1C 1760248437 LNNSOVNBXHKHBQ-QGZVFWFLSA-N 451.531 1.401 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCNC(C)=O)CC1 1760267224 VZWBLXMJXQCBNR-UHFFFAOYSA-N 490.406 1.538 30 10 JDEE C#CCSCCn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760286270 GLYKZHBCTWLVCR-SIKLNZKXSA-N 497.687 1.689 30 10 JDEE C=C(Br)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1760303134 CLJIEEXIVOWHMD-IYBDPMFKSA-N 484.376 1.666 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1760514455 GKPRVJAVKUGLAJ-NRFANRHFSA-N 470.549 1.905 30 10 JDEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1760533836 NEDYISVXLSPUSK-UHFFFAOYSA-N 492.628 1.963 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-c1cnn(C)c1 1760695393 GPDIYFDZLUBGGJ-UTKZUKDTSA-N 498.613 1.656 30 10 JDEE CCCC(O)(CCC)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1763899791 CEFLVOWANBPDCV-LJQANCHMSA-N 483.621 1.801 30 10 JDEE COc1ccccc1Cc1nnc(N(CCC#N)CC2CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1768908674 IEWFIVBUARYZCZ-QFIPXVFZSA-N 459.572 1.557 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CCOCC1 1772564435 ZXDAMNFFSVJZQM-HXUWFJFHSA-N 475.615 1.982 30 10 JDEE C=CCN1C(=O)COc2ccc(C(=O)CN3CCN(S(=O)(=O)c4ccc(N)cc4)CC3)cc21 1858636179 SBTFGVZABKUXOQ-UHFFFAOYSA-N 470.551 1.369 30 10 JDEE CCCCCCCCC(=O)Nc1nc(N2CCN(C(C)=O)CC2)nn1[C@@H]1CCS(=O)(=O)C1 1869947267 XMOAXLNDJUFKLH-GOSISDBHSA-N 468.624 1.995 30 10 JDEE C=CCn1c(C(=O)NCCN2C(=O)CSC2=O)cc2c(N(CCO)CCCC)ncnc21 1873596100 HKLPUWRVAMZGRF-UHFFFAOYSA-N 460.560 1.641 30 10 JDEE CC(C)N1C(=O)CS[C@H](C(=O)NC2CCN(S(C)(=O)=O)CC2)[C@H]1c1ccc(C#N)cc1 1892311224 HZWDYOAKXCZGIY-UXHICEINSA-N 464.613 1.492 30 10 JDEE Cc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)oc1B1OC(C)(C)C(C)(C)O1 2267130499 OVRYKQZHFJMAOP-CABCVRRESA-N 450.341 1.987 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)Cc1cc[nH]n1 2267361546 DMBMWNBAQYYUIP-UHFFFAOYSA-N 458.353 1.229 30 10 JDEE CO[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H]1NC(=O)OC(C)(C)C 2267369432 XAKUXKYUFOPCSE-CABCVRRESA-N 488.437 1.960 30 10 JDEE C[C@H]1C[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CN1Cc1ccccc1 2267410023 CXALUBUWEDFRFY-WMZOPIPTSA-N 460.409 1.661 30 10 JDEE CN(C[C@@H](O)CN(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2267549086 WZZDJRONDHRHQO-HNNXBMFYSA-N 450.345 1.076 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2267607652 AKLROEVGWFKBEO-GFCCVEGCSA-N 460.262 1.961 30 10 JDEE CC(C)(C)OC(=O)NCC12CC(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)(CO1)C2 2268609141 XMSISFBDCCPONU-UHFFFAOYSA-N 466.369 1.272 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1CCO[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268717263 JREBACNKEWICQM-CZUORRHYSA-N 467.397 1.988 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2281952452 WKOMITBHRNPYKJ-FPTDNZKUSA-N 461.372 1.634 30 10 JDEE Cn1cc(C(=O)NC[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281963256 JQIBWTSSFCYWFV-QFIPXVFZSA-N 464.372 1.211 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282099896 NKROLIUELKJHFO-ZBFHGGJFSA-N 462.356 1.124 30 10 JDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282173572 KRZWDIVYGQBLIY-ZIAGYGMSSA-N 463.388 1.736 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 2282334114 XKDGJOURCNQAAD-GASCZTMLSA-N 484.428 1.834 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 2282339560 YRVFBDUADQJSCP-OAQYLSRUSA-N 484.428 1.645 30 10 JDEE CN(C)CCN(CCNC(=O)OC(C)(C)C)C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282677239 WGCLERXQNFPZFG-UHFFFAOYSA-N 462.400 1.909 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2282863146 NOXZJSRMEYMELD-LSDHHAIUSA-N 484.428 1.834 30 10 JDEE CC1(C)OB(c2nccnc2C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2283067651 FAJPPMXEZCTCPP-RTBURBONSA-N 450.348 1.501 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2284049991 VVUCRRQOKMANAV-IAOVAPTHSA-N 463.340 1.051 30 10 JDEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)CCS(=O)(=O)C1 2284052703 GVZDCKIIDPGCEM-OAQYLSRUSA-N 481.380 1.401 30 10 JDEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC2(CN(C(=O)OC(C)(C)C)C2)O1 2288576895 SDBNVGRLQBXBTH-AWEZNQCLSA-N 462.356 1.559 30 10 JDEE CC(C)(C)OC(=O)NCCS(=O)(=O)CCOc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2314183276 SMKOZBYDGHAUHY-UHFFFAOYSA-N 456.370 1.699 30 10 JDEE CCc1cccc(OC[C@H](O)Cn2c(NN=Cc3ccncc3)nc3c2c(=O)n(C)c(=O)n3C)c1 254559874 LPXSZUKPVWQHQV-GOSISDBHSA-N 477.525 1.277 30 10 JDEE Cc1nc(C(N)=NO)cc(-n2cnc(I)c2I)n1 308226186 HSOSTGHVUBXKTE-UHFFFAOYSA-N 470.012 1.274 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)Nc2ccnn2Cc2cccs2)CC1 515362564 XVGJGBCRIGNZME-UHFFFAOYSA-N 470.580 1.810 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)CC1 604127110 JUFBRJZAYYHYCE-UHFFFAOYSA-N 479.537 1.952 30 10 JDEE C=CCn1c(-c2ccccc2OC)nn(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)c1=S 913063686 HCPRQXFVTADPMX-UHFFFAOYSA-N 494.643 1.428 30 10 JDEE CC(=O)c1ccc(S(=O)(=O)NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 916171902 UZCQNAXSAXFAKJ-UHFFFAOYSA-N 477.564 1.993 30 10 JDEE COCCn1cc(C=NNc2nnc(SCC(=O)Nc3cc(Cl)ccc3OC)n2N)cn1 1083965146 MJOVEXSSKOTRRE-UHFFFAOYSA-N 479.954 1.674 30 10 JDEE CC(=NNc1nc(SCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1)c1ccncc1 1084658115 PWPHAGYCHWOCEN-UHFFFAOYSA-N 460.545 1.804 30 10 JDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(I)c(C(=O)OC)c1 1212241682 LSOSGKJKMQBGHJ-HZMBPMFUSA-N 451.282 1.947 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1286392776 NTGMHIZDRPWZHS-UXHICEINSA-N 458.584 1.953 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCS(=O)(=O)C1 1286404499 RIZYAHWNYVNHAH-CQSZACIVSA-N 450.362 1.933 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCn2cc(Cl)cn2)CC1 1286492161 IDTCKWURCSDSHV-UHFFFAOYSA-N 469.981 1.656 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1286495616 BCEZDFHVOGXVMT-MSOLQXFVSA-N 465.649 1.910 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286512959 ZZGIUGSVIHRSNG-GCJKJVERSA-N 484.674 1.495 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CN1CCCC1 1286521680 BSGQPFLQADLEMW-WOIUINJBSA-N 464.636 1.335 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1286808881 FGIYVVIKVKFELX-RBUKOAKNSA-N 461.588 1.844 30 10 JDEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1 1300476287 JQCFWXGCSITSKM-UHFFFAOYSA-N 450.586 1.588 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1300487955 NQDJCXFWNWBZMQ-AEFFLSMTSA-N 472.546 1.912 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(=O)NCC=C)CC1 1300710282 ZFIKXDNEVHPPCC-SFHVURJKSA-N 457.579 1.408 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N2CCC(C)CC2)CC1 1300710447 BBAOBYMKGJIXPO-IBGZPJMESA-N 457.623 1.503 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2nccs2)CC1 1300729310 VFKIRXKTSIFUAO-UHFFFAOYSA-N 452.588 1.805 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccsc2)CC1 1300734489 VONKCQDNNLDQJV-OAHLLOKOSA-N 482.657 1.279 30 10 JDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC(NS(C)(=O)=O)CC1 1300991645 PAGUNMBLQUYKTN-UHFFFAOYSA-N 466.564 1.117 30 10 JDEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1301216591 MTIQVIGGLZTOHA-UHFFFAOYSA-N 478.557 1.733 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1301528623 DOOTULFFAHBXIX-IBGZPJMESA-N 456.547 1.371 30 10 JDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2ncccc2Cl)CCO1 1303001621 FREYXNHEJBNGGQ-CQSZACIVSA-N 454.878 1.782 30 10 JDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCCS1(=O)=O 1315653117 COAKWKDGIZFMOC-IRXDYDNUSA-N 461.544 1.562 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCOC[C@@H]2OC)c1 1358900618 OTDLOMRKOWFGSC-FPOVZHCZSA-N 480.569 1.622 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2C[C@]2(O)CCOC2)c1 1358901090 ZKZIUEOPPYVFSI-XMMPIXPASA-N 468.558 1.404 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358955772 SXWTUUDGOGPFAG-QGZVFWFLSA-N 496.634 1.348 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCNc1nccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1358963397 HENZLOYVMOHZEA-LSDHHAIUSA-N 499.519 1.330 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccnc2OCC(F)F)CC1 1359044617 KFRWDDOTVRHEDP-GOSISDBHSA-N 474.512 1.835 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1359057171 UIFICGCWKBMKAH-QZTJIDSGSA-N 467.661 1.679 30 10 JDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(NS(=O)(=O)CC)CC1 1359149265 UFWDZSMHVTVCPY-UHFFFAOYSA-N 456.956 1.666 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1359293818 AQFQKBUWMGFHJE-JOCHJYFZSA-N 471.949 1.715 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359294487 VANBMMDLHGNJKF-CYBMUJFWSA-N 498.403 1.642 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1359343402 SDSWUFOCXATQSV-LJQANCHMSA-N 493.703 1.772 30 10 JDEE CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1359394385 UJTRSKQDPWZLKZ-FMQUCBEESA-N 455.544 1.125 30 10 JDEE C#CCN(CC#CC)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1459577942 PBHCTADSJNPCLP-UHFFFAOYSA-N 458.584 1.205 30 10 JDEE COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)OC)CC2)CC1=O 1504904649 GTMAHFLIIOADEJ-IBGZPJMESA-N 497.556 1.112 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)Cc2ccccc2)C1 1505311620 CGAFQSKUTRJGJA-NRFANRHFSA-N 460.535 1.571 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CN(CC(C)C)CCO2)c1 1507551018 UDRFAUZOKHZBAF-VXKWHMMOSA-N 493.612 1.642 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1507651837 DTFJQMBMIQLDPQ-VWLOTQADSA-N 460.538 1.943 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccc(F)cc1 1507709990 ASPLKIQFKWQAJQ-PXNSSMCTSA-N 479.578 1.640 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCS(=O)(=O)CC=C)CC1 1507721883 VCQXWPXGEDSHNT-UHFFFAOYSA-N 463.991 1.963 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cc(C)cc(C)c2)CC1 1507729543 IBFCXYVSUBDPNT-QFIPXVFZSA-N 486.642 1.226 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCCN2CC)CC1 1507730909 YQAUDFJPRVDJET-LEWJYISDSA-N 487.649 1.826 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCn2cc(CO)nn2)CC1 1507735198 NNYZIPNMIXSULM-UHFFFAOYSA-N 482.976 1.738 30 10 JDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1507748876 SJSOIEZQQVOKJN-UHFFFAOYSA-N 473.584 1.347 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507805493 JRKHYUBKZJKJLO-BIZBXSGISA-N 489.598 1.611 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1507810135 ZPAWOXNOIMKDRC-QRVBRYPASA-N 453.609 1.876 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1507859886 GKLLGKATTKKHHE-UHFFFAOYSA-N 467.921 1.036 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(C(=O)N(C)C(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1508096466 ALAATSCONDHQKG-QHCPKHFHSA-N 462.595 1.316 30 10 JDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2C)CC1 1516829964 AQOQZXRIHUNMDI-UHFFFAOYSA-N 468.587 1.815 30 10 JDEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1517527848 DFYGZCGOCRUDMY-CTNGQTDRSA-N 468.558 1.743 30 10 JDEE CS(=O)(=O)CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(CS(C)(=O)=O)CC1)C1CC1 1519519894 HPEOCQBERUPYOA-UHFFFAOYSA-N 477.612 1.655 30 10 JDEE N#Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)N2CCSCC2)cc1 1521089473 FJTABUDUWCGSMK-HXUWFJFHSA-N 475.575 1.637 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1539200267 DYVNYPQCXAYICF-GOSISDBHSA-N 463.604 1.226 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 1539201596 ASJRDCJCHGXCIF-GOSISDBHSA-N 487.582 1.600 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1539212567 QQAIMWVIJHCUTJ-QGZVFWFLSA-N 481.047 1.669 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539216426 RNTINHPLXVLRER-RTWAWAEBSA-N 485.589 1.747 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539216995 YZSMSHOZGQTADW-GJZGRUSLSA-N 460.482 1.273 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1539219716 MERIJFKHRKREJV-IBGZPJMESA-N 473.990 1.831 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OC)cc1F)[C@H]1CCS(=O)(=O)C1 1539219774 FGEZCJWKKDMLLE-MSOLQXFVSA-N 462.547 1.995 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(C)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1539219984 GJQVIKQRTJRLKD-HKUYNNGSSA-N 457.556 1.221 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1539220994 NABSVDRUJMYULZ-RTWAWAEBSA-N 490.651 1.666 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)c2cccc(OC)c2)CC1 1539432146 YBQUFXSDHGYCMA-SFHVURJKSA-N 474.631 1.630 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1539612089 IHPAXGDMDVSHQI-KSZLIROESA-N 453.609 1.801 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NCC)CC1 1539634567 BKCHPFNXQZXKMJ-XMSQKQJNSA-N 473.647 1.873 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1539775207 JONSFHXEMXDFMN-ZDUSSCGKSA-N 458.972 1.642 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCOCC1 1540187073 LEGRGLHEXIQCIV-QGZVFWFLSA-N 450.561 1.550 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1540861852 JDWNIZYPVHRDNH-MOPGFXCFSA-N 488.976 1.548 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C1CCN(CCC)CC1 1540868701 OCVUPZNWAQNZGU-UHFFFAOYSA-N 488.662 1.851 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1540879593 IYGZRPZFWYGNCT-WMZOPIPTSA-N 489.602 1.057 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC(C)(C)O[C@]3(CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1540909047 VWGNXPALGXKQBV-PKTZIBPZSA-N 498.646 1.694 30 10 JDEE Cc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2cccc(C#N)c2)n(C)n1 1542999630 HHBMUAMHGYNYIY-FQEVSTJZSA-N 484.586 1.209 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2(O)CCOCC2)c1 1552879787 AYQRGQJVCVARQO-QFIPXVFZSA-N 488.614 1.867 30 10 JDEE Cn1nc2c(cc1=O)CN(c1nnc(COc3ccc(C#N)cc3)n1CC[S@@](=O)C(C)(C)C)CC2 1554364785 HRPMOWLXDSGSBM-PGUFJCEWSA-N 495.609 1.932 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1N1CCOCC1 1587640858 VSYYYIHJIRTFSD-AZUAARDMSA-N 457.600 1.831 30 10 JDEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)NC)CC1 1587783798 YEBIXXQOEKFXFH-UHFFFAOYSA-N 478.645 1.908 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 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30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1595752574 AFOGQJGIKYYHNQ-UHFFFAOYSA-N 489.524 1.504 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(=O)NCC(F)F)C1 1611766752 BHTZWRSJXWELII-JOCHJYFZSA-N 473.532 1.963 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@](C)(O)C1CC1 1613586066 GWTAYSSKXHPHFY-XMMPIXPASA-N 466.590 1.951 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)CC1 1623021715 DZQLDSFPBZGMQN-UHFFFAOYSA-N 459.597 1.928 30 10 JDEE CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1Cl 1660909741 IFYQLAQUSSVACC-NSHDSACASA-N 452.899 1.999 30 10 JDEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1689901472 KPPIMEIYIDZRCK-UHFFFAOYSA-N 463.546 1.304 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1689984498 QFEKODYSXWAOSK-VGSWGCGISA-N 492.623 1.457 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)COCCO1 1690019949 VNDWHVDLOJXXGG-WZONZLPQSA-N 459.547 1.465 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)N(C)C 1690092478 KAWGELXNICHKRU-UHFFFAOYSA-N 462.551 1.071 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cc(C)oc1C 1690104502 YOSGCJONYIDJRT-LAUBAEHRSA-N 450.561 1.384 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCOc2ncccc2F)CC1 1690114771 GXJLXDVSXSWGMF-UHFFFAOYSA-N 484.557 1.717 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1690138293 YBRHSUUMNWCRQP-GLDPYIMESA-N 459.591 1.711 30 10 JDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1690172944 RVUOWCAYYYXLQY-KRWDZBQOSA-N 455.650 1.789 30 10 JDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1690284604 KYWRAYHIFGRSDT-UHFFFAOYSA-N 457.579 1.962 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1690364638 UZINPUVRZRFQHT-CABCVRRESA-N 466.530 1.308 30 10 JDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(O)CCS(=O)(=O)CC2)CC1 1690417423 QOKQLTDTJSGSGZ-ROUUACIJSA-N 454.593 1.344 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCS(=O)(=O)C1 1690567501 GEZJZEUAHMUOOS-QFIPXVFZSA-N 459.572 1.143 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1690724216 KKLKLSHEXCETPE-NVXWUHKLSA-N 483.616 1.228 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCc3ccc(O)cc3C2)nnc1[C@]1(OCC)CCOC1 1690731850 RNMNUDABNMAEBA-QFIPXVFZSA-N 462.572 1.799 30 10 JDEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1 1693874633 FQCNUPMXVKUTSD-VHFSOBRXSA-N 478.347 1.888 30 10 JDEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CC1 1695897288 GYIDJCYAAGOEMC-IBGZPJMESA-N 450.591 1.417 30 10 JDEE CO[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1697109899 GJPJQXYHLIOBMF-HUUCEWRRSA-N 482.010 1.775 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCS(=O)(=O)CC=C)c1 1705504701 CSSGAXKFOJPSDC-UHFFFAOYSA-N 464.551 1.997 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCC(C)C)C1 1705516818 JGYULIWWNOXUJM-RTBURBONSA-N 453.609 1.666 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1705532184 ICKZLKSYVOYKDB-OAQYLSRUSA-N 499.637 1.884 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1705563847 GWGWEIKEADBIFD-GOSISDBHSA-N 454.556 1.752 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1705569298 BCHHZSSCPYKWCV-SFHVURJKSA-N 456.547 1.725 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705728923 CPHRWUBUGUSDOK-GOSISDBHSA-N 466.608 1.111 30 10 JDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1705843168 ZFENONGCUSEUGB-GOSISDBHSA-N 460.608 1.498 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1705898150 CARYFQKHYXFNDW-IBGZPJMESA-N 470.574 1.566 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1705904293 LOVFELZXJREFIC-UHFFFAOYSA-N 460.604 1.598 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCNC(=O)[C@@H]1CC 1705936425 QNORNCRCGCSKIO-YJBOKZPZSA-N 461.544 1.106 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1705936750 XUTKDRVVSPCIFO-OALUTQOASA-N 463.608 1.508 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1705937312 PRYPJHQLRZCQKF-GOSISDBHSA-N 460.604 1.558 30 10 JDEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1705946521 JYPPFTFOPAPIPI-UHFFFAOYSA-N 462.624 1.253 30 10 JDEE CC(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1706469086 DCKSKLUQPRWBNK-UHFFFAOYSA-N 481.601 1.756 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC2)CC1 1706650467 BQPLHQADDPMKGA-UHFFFAOYSA-N 480.617 1.471 30 10 JDEE Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)c(=O)n1C 1707494918 HUDRFZAGPQKDAF-HXUWFJFHSA-N 466.567 1.886 30 10 JDEE Cc1nccn1CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1707788482 CDFUNPQSHBCPKP-OAQYLSRUSA-N 498.613 1.714 30 10 JDEE CCNC(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)COC)CC2)CCC1 1710317906 CMCSMPJCYRQNRE-UHFFFAOYSA-N 465.558 1.418 30 10 JDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1722332085 CNLGOAAUPBBNFD-LJQANCHMSA-N 489.621 1.210 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccco1)N1CCCCC1 1722351064 GENUEYXYPXVDOS-QUCCMNQESA-N 476.603 1.501 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(NC(C)=O)nc1)[C@H]1CCS(=O)(=O)C1 1722364818 JJSZWZXOGHKYSU-IBGZPJMESA-N 499.622 1.662 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1722365291 DBEDAQOSIFMRSY-IAGOWNOFSA-N 451.593 1.309 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722365540 MRLZEKUZEIPAPN-GTCCEBARSA-N 479.002 1.689 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1722372151 QJIXBLZFZLKLPD-IRLDBZIGSA-N 488.610 1.504 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722425774 LXWDIOVFOZXVAP-FPOVZHCZSA-N 472.615 1.554 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCn2cnc3ccccc32)CC1 1722430542 DYXCJGKJGVRSTP-SFHVURJKSA-N 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30 10 JDEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1760507041 BJCLBOVVIBUXPU-ZDUSSCGKSA-N 457.398 1.998 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1760523234 QOHZTYGRADDSNA-KRWDZBQOSA-N 452.563 1.512 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(=O)N2CCOCC2)C1 1760547872 TWTXTDKPVCZMMS-HXUWFJFHSA-N 457.531 1.506 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(Cl)nc2C1 1760555005 UFLZOONSKVQCPM-OAHLLOKOSA-N 486.019 1.392 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC([C@H]3CCOC3)CC2)nnc1[C@]1(OCC)CCOC1 1760558395 NUGFADBOBMIOFG-UGKGYDQZSA-N 468.620 1.784 30 10 JDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCC(=O)N1CCOCC1 1760931867 BVFMMTHLNOANTB-QGZVFWFLSA-N 453.551 1.027 30 10 JDEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)CC1 1765552209 FSDXGISGGXLNAF-LJQANCHMSA-N 455.632 1.659 30 10 JDEE CN(C)C(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CC1 1768431683 BXRHELOFUMWWDX-UHFFFAOYSA-N 458.588 1.946 30 10 JDEE 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1.554 30 10 JDEE CN(C)S(=O)(=O)c1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccco2)cc1 107877764 HUGKZQXSSFTTCT-LCPUNJGISA-N 489.550 1.284 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)OCCOCCOCC)nc1C 586300998 DJAGLHZXDOBDFQ-SSEXGKCCSA-N 462.546 1.078 30 10 JDEE C#CCN(C(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1227347367 KTWAVTOLQNQXCR-CYBMUJFWSA-N 452.476 1.441 30 10 JDEE C#CCN(C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1228870915 CLRLHHSGCHOMAC-SFHVURJKSA-N 458.563 1.960 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1286394633 JVFPBGJJEXKWDT-QHAWAJNXSA-N 488.610 1.641 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCCC[C@H]1C 1286431695 QNWNEPYPYAJYLN-FGZHOGPDSA-N 490.674 1.729 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCc2ccco2)CC1 1286489282 MVMKBEKADYNENR-UHFFFAOYSA-N 481.944 1.869 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1c(O)nc2ccccc21 1286519343 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C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1300711446 CADLJBFOJLXPJC-DLBZAZTESA-N 450.609 1.039 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1301497453 XFERXUNPXOLPJW-QHCPKHFHSA-N 464.505 1.809 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1301515440 UYUDTSVKRGKJHM-LJQANCHMSA-N 467.574 1.816 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C)cc2)CC1 1301578928 KSLNVKLXVIPUTD-UHFFFAOYSA-N 455.588 1.914 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1301589773 WVLYTRMVMMJVHT-IAGOWNOFSA-N 453.609 1.514 30 10 JDEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1)OC 1315807473 HOBLYAPNTIIFBD-SFHVURJKSA-N 463.560 1.404 30 10 JDEE CSC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CCC1 1316406413 FRIZBACWUPPCHH-INIZCTEOSA-N 454.622 1.637 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC2(O)CCC2)CC1 1359042243 XTSQRYFGYOBBGI-DEOSSOPVSA-N 459.591 1.590 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC2)CC1 1359046711 CJUJNHGJZGAMNW-UHFFFAOYSA-N 461.570 1.790 30 10 JDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1359054770 GTLFHVNHZIXUAS-LJQANCHMSA-N 490.655 1.646 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1359100527 CPZAFPRHQLVAFQ-RDPSFJRHSA-N 467.618 1.892 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359304266 SJDKVGFITKYMHP-IBGZPJMESA-N 456.547 1.117 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1359304509 ZMUWWXABJRRIFW-DMPWYTOCSA-N 474.587 1.345 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1359305185 VQWUAPISIOIUNI-UHFFFAOYSA-N 475.553 1.825 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3cccc(F)c3)c2C(F)(F)F)CC1 1471451482 UEVZRUDPNVYDND-UHFFFAOYSA-N 459.425 1.256 30 10 JDEE CCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)cn1 1502227496 DEQSSSXNBISYTQ-UHFFFAOYSA-N 454.560 1.599 30 10 JDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1503432628 CFSLZYRABZRWCP-AUMHUTNHSA-N 479.628 1.899 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CN1CCCC1 1507538563 NGNWJNQAWPWIPR-ZWKOTPCHSA-N 452.625 1.191 30 10 JDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCOCC1(C)C 1507605953 ZVVHDMREKHTCDI-UHFFFAOYSA-N 459.620 1.727 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1507635146 SYRSJVBKMHQDDQ-HXUWFJFHSA-N 469.567 1.987 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1507637861 CKDSZLHYKJJNRP-FQEVSTJZSA-N 468.583 1.882 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCS(C)(=O)=O)CC1 1507731904 RONLLYLQRNFMPX-SFHVURJKSA-N 480.635 1.192 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507792226 XQVQDUVQDWBDBY-UXHICEINSA-N 474.606 1.473 30 10 JDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507830579 JJWCHNXDIBOTST-ROUUACIJSA-N 498.650 1.928 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1507844702 NVTYEFKFRXCCAT-HUUCEWRRSA-N 479.525 1.278 30 10 JDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1508042372 FERHPGVZSPAFCR-OALUTQOASA-N 466.590 1.738 30 10 JDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CCN1CC(F)(F)F 1512418340 FFKLBPKGBSXMNE-AWEZNQCLSA-N 456.494 1.934 30 10 JDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2CCS(=O)(=O)CC2)c1 1518048870 AWQNYCBFPIFEBS-LJQANCHMSA-N 461.544 1.516 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1539229407 CFLFQBJDPNSTEG-NHCUHLMSSA-N 487.630 1.025 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nc(C(F)(F)F)cs1 1539239711 PFMGIISKMQMINW-LBPRGKRZSA-N 460.507 1.679 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1539368728 BHBYMJAQSFRLLB-ROUUACIJSA-N 496.634 1.470 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccnc2OCC)CC1 1539467596 WUHLCKGBYKLOFT-UHFFFAOYSA-N 488.552 1.733 30 10 JDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1539948270 VUSDYQQURGLXJM-PZJWPPBQSA-N 457.623 1.859 30 10 JDEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1539989265 RKZSKQGUKMMJKH-UHFFFAOYSA-N 473.965 1.467 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C2CC2)C(=O)C1 1540863880 IESGVPDEDUWQJS-UHFFFAOYSA-N 462.352 1.159 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1540869383 KWNRIHPTSSZKNG-LJQANCHMSA-N 465.558 1.192 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2ccccc2)C1 1540905495 SOIVIQFTXKPRML-WOJBJXKFSA-N 478.640 1.850 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccccc1N1CCOCC1 1541907839 FVAGIRIBBMIACX-IRXDYDNUSA-N 461.592 1.512 30 10 JDEE CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1548315945 FFYRJKNNXHMZST-QGZVFWFLSA-N 466.571 1.757 30 10 JDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1587749794 NTFGVZISYDRXOA-UHFFFAOYSA-N 458.548 1.122 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588030082 PGUHVUJSOWQRKF-OAQYLSRUSA-N 484.626 1.870 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1CCN(C(=O)OC)CC1)[C@@H]1CCS(=O)(=O)C1 1588055729 YQRSPTGBCHLMCG-RTBURBONSA-N 479.603 1.277 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCc1ccco1 1588089333 IPWRBPVSMPEIGM-UHFFFAOYSA-N 479.566 1.529 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1588647452 VJGBJDRBAJJBIV-VAMGGRTRSA-N 465.620 1.462 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC2(O)CCC2)CC1 1588837400 STWJSBZQLGLETJ-IBGZPJMESA-N 474.606 1.647 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1588985916 XHPSUQRCFXJKSA-BZSNNMDCSA-N 455.650 1.898 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1589528248 FAOXCOKVJUVRFN-GGPKGHCWSA-N 476.603 1.746 30 10 JDEE C=C(Cl)Cn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1593933067 VBRSOEXFCSCUSQ-CQSZACIVSA-N 462.963 1.479 30 10 JDEE C=CCCOCCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1594830456 XFQHRMXXIKPFKW-HSZRJFAPSA-N 478.594 1.097 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1595405784 YFVMWEIAILTGIN-VQIMIIECSA-N 490.586 1.951 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1595466786 NCFCDBMDHCIWSQ-WCJKSRRJSA-N 455.519 1.000 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@](C)(CC)C1 1595551045 KXXIAGCHKWYYKW-GAJHUEQPSA-N 478.594 1.894 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)cc2OC)C1 1595730262 VGTAYKDEFCQKAD-TZIWHRDSSA-N 491.614 1.758 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1595759941 HSDIRVFVKVDNSA-CYBMUJFWSA-N 474.465 1.294 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1595765904 JOVOUDDQUIDZBK-UHFFFAOYSA-N 461.588 1.859 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1595785171 SLCDGDRDJBEECB-UHFFFAOYSA-N 466.571 1.478 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1595822359 GMSURWCXUOHMQD-LJQANCHMSA-N 486.598 1.137 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1595823329 NGMVLMYORQBZGO-FQEVSTJZSA-N 484.582 1.451 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1611319488 HQAUPBCOFVDRTJ-BZSNNMDCSA-N 457.558 1.485 30 10 JDEE CC[C@@H]1CCCCN1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1614139149 AYALGLWOYNVABH-OTWHNJEPSA-N 467.640 1.614 30 10 JDEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)NCC#CC(=O)O 1615879387 ABJFKQRFUSJYPP-XMMPIXPASA-N 477.517 1.870 30 10 JDEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCCN(CC(=O)N2CCCC2)CC1 1621633268 GNLBGNQZUHZPKS-UHFFFAOYSA-N 455.378 1.640 30 10 JDEE C=C(C)C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O)C(=O)OC 1624256211 GJVCKDDITUFZPH-AUUYWEPGSA-N 452.305 1.840 30 10 JDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1626974872 QYNGNHSAPMKESY-XKQJLSEDSA-N 473.389 1.690 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(NC(=O)c3ccc(OC)cc3)s2)CC1 1628147112 XCNOUKZVFIDDKZ-UHFFFAOYSA-N 454.552 1.906 30 10 JDEE Cc1cccc([C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)N2CCOCC2)c1 1629917579 DKZUBKZZAFZDDC-XMSQKQJNSA-N 456.568 1.723 30 10 JDEE COc1ccc(C2=NO[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)cc1C 1633758548 FYNFUQSZGAXCKR-QAPCUYQASA-N 456.524 1.852 30 10 JDEE C[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC[C@H]1NC(=O)OC(C)(C)C 1634281355 FWGLTHJJLKMUHR-GDBMZVCRSA-N 450.561 1.877 30 10 JDEE C[C@@H](CC(=O)N(C)CCn1cc(Br)cn1)/N=C1/NS(=O)(=O)c2ccccc21 1637270765 AZQJZMSMGIPTNU-LBPRGKRZSA-N 454.350 1.621 30 10 JDEE N#C[C@H]1CN(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CCN1Cc1ccccc1 1678721758 HUBMRRSWHWHQJC-KRWDZBQOSA-N 459.494 1.720 30 10 JDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1689942856 FJLYOHVICQLJSV-HKUYNNGSSA-N 494.643 1.691 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCSc1nccs1 1690077697 UWZNOVIVOHLBOV-OAHLLOKOSA-N 470.646 1.709 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(C(=O)NC)c2)CC1 1690113753 SZKITRMSWOYYLL-XMMPIXPASA-N 452.559 1.093 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@H](COC)OC)CC1 1690146705 URRULYFEDBPFNA-WIYYLYMNSA-N 469.542 1.418 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NS(C)(=O)=O)CC1 1690254605 DTKIFIJMZNOZAW-UMGGQSCQSA-N 483.635 1.501 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690720707 QMUQSNWRASGCKD-UHFFFAOYSA-N 486.642 1.599 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)[C@@H](C)C1 1690723562 VSIOGFVYDCSENO-IYBDPMFKSA-N 456.572 1.885 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1690723910 CZQMRCSJTFSZFA-CYBMUJFWSA-N 472.493 1.754 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 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C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cccnc2OCCOC)CC1 1705649339 UAXOVUORNPYVER-UHFFFAOYSA-N 477.569 1.718 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1705651711 GDLBNGJJHIKHNF-IAGOWNOFSA-N 451.622 1.601 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(C3CCC3)CC2)nnc1[C@]1(OCC)CCOC1 1705939109 SDPGBHMUQQFGCN-NRFANRHFSA-N 453.609 1.206 30 10 JDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1cccc(OC)c1 1722356772 KRQSGGMJXHMHBK-UHFFFAOYSA-N 452.540 1.778 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCn1cc(CO)nn1)[C@H]1CCS(=O)(=O)C1 1722360911 WWLYISIKQPBZJF-IBGZPJMESA-N 489.989 1.399 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722364097 XEFSAQPZMABGPS-QGZVFWFLSA-N 492.001 1.474 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCS(=O)(=O)CC=C)CC1 1722444826 GQVDCNMPCGIMHU-UHFFFAOYSA-N 455.584 1.820 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(S(C)(=O)=O)CCC2)CC1 1722450063 VYBXICMFEONWNB-UHFFFAOYSA-N 487.630 1.073 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1722457505 FCRPINDKOQMTEP-SFHVURJKSA-N 470.647 1.614 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1scnc1C 1722537359 MZWPZXKGTMJQDY-INIZCTEOSA-N 470.621 1.605 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(N(C)C)CCCC2)CC1 1722581564 JHSJPUMKKIEVIP-IBGZPJMESA-N 466.652 1.888 30 10 JDEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CNC(C)=O)C1)c1ccccc1 1722596705 MTPJQCQOHRPHPY-YPAWHYETSA-N 487.626 1.881 30 10 JDEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1722691389 SGUIEOFWRFTSMC-FQEVSTJZSA-N 477.587 1.683 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccccc2)CC1 1722727112 LRPSCHXSDOIJJX-HXUWFJFHSA-N 472.615 1.542 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](F)(C#N)C1 1723660433 FPSIALBFYCHASZ-HXUWFJFHSA-N 464.523 1.486 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1723661626 AEKGSPCVYRSFFO-UHFFFAOYSA-N 486.646 1.932 30 10 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1.584 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1740950330 FYPIBZYJZKVXOR-GOSISDBHSA-N 475.594 1.173 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1740989714 VUUXEXIDCWXXRR-UHFFFAOYSA-N 483.598 1.980 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(C(F)(F)F)CC1 1741002280 HASMKNIDTLEDQF-AWEZNQCLSA-N 499.581 1.424 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)CC1CC1 1748651902 SXYCKBRDQZDUSY-OAHLLOKOSA-N 450.586 1.631 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1748801847 HYYAMDHXYMVQKR-HOTGVXAUSA-N 478.525 1.988 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1748804197 FGVFMUCLQFFWLM-AZUAARDMSA-N 493.655 1.375 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCNC(=O)c1ccc(C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1748812043 OZRDZKAZIMGNRV-HXUWFJFHSA-N 496.568 1.844 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)cc1F)[C@H]1CCS(=O)(=O)C1 1748815131 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1.144 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CC(F)F)CC1 1760514996 IWJKBLTZJQUYNA-UHFFFAOYSA-N 496.588 1.236 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H]2OCO[C@@H]2C1 1760517937 CMYCTLZYXJDNAU-GASCZTMLSA-N 452.284 1.710 30 10 JDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1768243131 DYNYMGMYBKBNTG-UHFFFAOYSA-N 458.588 1.946 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCNc2nccc(C(F)(F)F)n2)c1 1770735044 CCOWFYSUWVRDJC-UHFFFAOYSA-N 492.487 1.972 30 10 JDEE CCN(CCO)Cc1cc(=O)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)cn1CCCO 1870324259 BYISIVPLHPNWBV-UHFFFAOYSA-N 474.583 1.484 30 10 JDEE C=CCn1nc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c(I)c1C 1871328726 XOQFQMIILVMTHY-UHFFFAOYSA-N 460.297 1.560 30 10 JDEE C=CCn1c(C(=O)NCCN2C(=O)CSC2=O)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873596120 ILGTYVBCCSUUQJ-UHFFFAOYSA-N 486.554 1.386 30 10 JDEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)[C@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1873710790 UPMPVEHDEWLFCS-HNNXBMFYSA-N 498.561 1.607 30 10 JDEE COc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)c(O)c2)cc1OC 1874218793 DMGMKDUHWBSSMN-FOKLQQMPSA-N 457.512 1.951 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)C[C@@H]3CSc4nc5c(c(=O)n43)CCC5)CC2)CC1 1889545101 USERQAUAERZXIY-HXUWFJFHSA-N 499.681 1.417 30 10 JDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCCC4)C1 1891414502 MUHSCYCZTNYMRK-LSDHHAIUSA-N 452.540 1.891 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1CCO[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256620885 OAYMFHDOSBQVAC-NWDGAFQWSA-N 454.358 1.128 30 10 JDEE CC(C)(C)OC(=O)NCCc1nc(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)n[nH]1 2267158252 AZIXTBKIYCJBFS-UHFFFAOYSA-N 464.357 1.880 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267366585 ILVXHBQVAHFYJV-KBPBESRZSA-N 470.401 1.253 30 10 JDEE COc1ccc(S(=O)(=O)NC2CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267410407 IWPVAXKDBNMIKK-UHFFFAOYSA-N 468.381 1.892 30 10 JDEE Cc1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)oc1B1OC(C)(C)C(C)(C)O1 2267529322 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C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O)C1(O)CN(C(=O)OC(C)(C)C)C1 2282979223 XDVJKUNXXQJGOV-CQSZACIVSA-N 462.352 1.792 30 10 JDEE C[C@H](NC(=O)[C@@H]1CNC(=O)CN1C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2283988065 QFKQQGIWZHWWAW-JSGCOSHPSA-N 480.396 1.355 30 10 JDEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCO1 2362336154 CPWUEFWRNBOISC-LSDHHAIUSA-N 464.372 1.474 30 10 JDEE C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 13047167 XYHNMBOBCIIHBG-AWEZNQCLSA-N 474.333 1.157 30 10 JDEE CCc1nnc(CNC(=O)CSc2n[nH]c(N/N=C/c3cc(OC)c(O)cc3[N+](=O)[O-])n2)o1 59881552 NJNJLPIMNWMTIG-KPSZGOFPSA-N 477.463 1.227 30 10 JDEE Cn1c(=O)nc(O)c2c1nc(NN=C/C(Br)=C\c1ccccc1)n2C[C@@H](O)CO 254492834 XDPZGGBQKUXZAE-JZKIKNAMSA-N 463.292 1.023 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)c1 589969902 SRVWAAQLQJUZNX-UHFFFAOYSA-N 478.596 1.021 30 10 JDEE COc1ccc(-n2c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc3ccccc3)c2=O)cn1 608884291 DIZUPRSLEJWPII-UHFFFAOYSA-N 478.574 1.737 30 10 JDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc2c(c1)OCCO2 619538517 BCPYETGBSNPASL-UHFFFAOYSA-N 491.569 1.716 30 10 JDEE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 726276879 DBYHBMOETBBWKK-UINQJLALSA-N 478.619 1.564 30 10 JDEE Cn1c(=O)n(CC(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccc21 916948057 CQMRLQUJNZYHOU-LJQANCHMSA-N 495.561 1.862 30 10 JDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)c(C(=O)OC)c1 918194706 KDFDMMUNWITRET-NSHDSACASA-N 450.332 1.047 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccc(OC)c1 1286376258 IMAUEMCSSVKEPP-IBGZPJMESA-N 461.588 1.667 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 1286377424 WLDXNXBHDQNVRP-GUXCAODWSA-N 459.572 1.613 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1CC1(N2CCOCC2)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1286385973 RTMQUOMLAHOYHV-YAQHWNNOSA-N 493.674 1.688 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CC(C)(C)N1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1286386431 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1301506002 DYRJQKIUMRIGCR-ICSRJNTNSA-N 454.575 1.337 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1301567278 GQNJCWYXPWTTAC-KRWDZBQOSA-N 495.005 1.177 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1301585750 NUVYXSBRWFDKTO-XIRDDKMYSA-N 465.601 1.858 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1301587757 SGKBURWZBHGXJV-GOSISDBHSA-N 452.602 1.401 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCN(c2ncccn2)CC1 1301592895 GFIPAAVTLFXPEK-UHFFFAOYSA-N 487.561 1.714 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCCN(C3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1301595821 BOFMBBDDFJQPFW-HSZRJFAPSA-N 481.663 1.986 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)CC1 1302921819 UPTRWFUYPQXHFG-UHFFFAOYSA-N 459.547 1.641 30 10 JDEE CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cc1 1314189354 HWABJLMVNXWYCY-VQIMIIECSA-N 462.576 1.796 30 10 JDEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1Cl 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479.589 1.333 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccsc1)N(C)C 1760464794 PHKYHAMGQNHEEU-IAGOWNOFSA-N 454.622 1.598 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760480705 CMSAODIRJSYYLH-MOPGFXCFSA-N 458.588 1.703 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)[C@H](C)C1 1760522370 RUIADJIJCGKCMQ-XLIONFOSSA-N 456.547 1.250 30 10 JDEE C=CCNC(=O)Cn1c(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1760528866 OVDGEOLHUVLISU-RHGYRFJNSA-N 492.621 1.970 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1760530467 QDSUDZUQXAESMN-HSALFYBXSA-N 473.622 1.249 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCS(=O)(=O)C2)C1 1760536173 DQSRMJIRXVKHAW-DBXWQHBBSA-N 454.593 1.535 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)NC)CC1 1760557138 BAFZLNGXWXNAOJ-UHFFFAOYSA-N 476.603 1.536 30 10 JDEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CC1 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N#Cc1cccc(C(=O)N2CCN(c3ccc(N4CCN(C[C@@H]5CCCO5)CC4)nn3)CC2)c1 585473755 DLTBOMWDZOWUCS-QFIPXVFZSA-N 461.570 1.612 30 10 JDEE C#CCN(C(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1)[C@H]1CCS(=O)(=O)C1 729330945 ISCSXVQZKGUVSF-SFHVURJKSA-N 462.549 1.759 30 10 JDEE C#CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1)[C@@H]1CCS(=O)(=O)C1 729332054 UHKFKTWVAHFMOB-HXUWFJFHSA-N 474.560 1.953 30 10 JDEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)CC2)cn1 1154223328 HJDJQJAHRUEZTN-QGZVFWFLSA-N 457.531 1.842 30 10 JDEE C=CCC[C@@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1157760177 JBEALEYQXPJSPS-IBGZPJMESA-N 451.589 1.360 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1286275190 NFTOLGSNFMOMNZ-WWPVKYPJSA-N 463.648 1.985 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1286376922 QAPNDUIMSZVEFE-QFIPXVFZSA-N 497.625 1.590 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC1(NC(=O)OC(C)(C)C)COC1 1286466272 DYNPATIRHQELEQ-UHFFFAOYSA-N 495.584 1.896 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCCC2)CC1 1286489281 MTYILDCTPIIDCR-UHFFFAOYSA-N 459.554 1.828 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1286495504 XSDOQWGEWZPMPM-HXUWFJFHSA-N 477.679 1.014 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C(=O)NC)C1 1286799695 YWQOBMXNJKSTLX-JBACZVJFSA-N 471.558 1.566 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286817655 XDMXCBLHSSVMPK-UHFFFAOYSA-N 483.616 1.073 30 10 JDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@]2(CCOC2)C1 1300410864 CLSJEPTVFVZBCT-WZONZLPQSA-N 461.563 1.996 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCOC[C@@H]1C 1300574904 OXTYJVGHRUXBIG-IBGZPJMESA-N 469.615 1.422 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N2CCSCC2)CCCC1 1300631281 OYHLEOUOJPVYRQ-LJQANCHMSA-N 496.703 1.432 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccnc(C(F)(F)F)c2)CC1 1300682320 GIWWKUPXOXGEDE-CQSZACIVSA-N 471.509 1.106 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)CN2CCOCC2)CC1 1300718892 YPHGCISUINONFE-GOSISDBHSA-N 454.575 1.781 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N(C)C)c1 1300806209 RLLIXHZBALLMSX-WMZHIEFXSA-N 455.584 1.922 30 10 JDEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)c1ccccc1 1301009138 HELGHAOEYDVJIY-OALUTQOASA-N 464.613 1.907 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC=C(Br)C1 1301492954 SFWMXJQSFVNAIH-UHFFFAOYSA-N 470.335 1.712 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCOC2(CCOCC2)C1 1301577133 KHODQKZKTPSKQH-UHFFFAOYSA-N 492.598 1.949 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1301587911 ASVSOMFUPSAPHC-ZNMIVQPWSA-N 466.576 1.509 30 10 JDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)N(C)C 1303694870 GQXZMVZRHBPUHS-HKUYNNGSSA-N 459.620 1.875 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccccc1 1303858831 GWOMYDLYRLDNFY-QGZVFWFLSA-N 466.571 1.530 30 10 JDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1314389450 FMDOBFHZDSZWKS-HSZRJFAPSA-N 494.644 1.956 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nccs2)c1 1358901875 YZNQUHMNBAETHH-CQSZACIVSA-N 473.584 1.449 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1358960213 ZOEQBRKMKVYUQU-QGZVFWFLSA-N 476.990 1.679 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1358963812 OKQAURKBQMJIHL-GOSISDBHSA-N 493.655 1.384 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1358965235 QNMKXBPJCSDAJF-ICSRJNTNSA-N 459.591 1.977 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2nc[nH]n2)cc1 1358985355 WUIGXCJVZXMJFD-MRXNPFEDSA-N 452.544 1.185 30 10 JDEE C=C(Br)Cn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1359088390 JOFIUWOQGXPQIE-HXUWFJFHSA-N 499.410 1.012 30 10 JDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359089877 QOSJUSVOOCOUBE-ROUUACIJSA-N 498.422 1.986 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)COC)CC1 1359090248 XRYXSOQFMYNCHI-XLIONFOSSA-N 460.579 1.227 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359284505 SYFQVVMEHMTDSH-UHFFFAOYSA-N 453.590 1.395 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1359291333 MLVMNILYQDOHML-MRXNPFEDSA-N 455.519 1.002 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCO[C@H](C)C2)cc1 1359308359 MGWTWOBHJQNKIK-WIYYLYMNSA-N 491.614 1.839 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1359361223 YWYCHQYNVHCAON-QBEKEKFNSA-N 457.579 1.698 30 10 JDEE CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1359411996 FUFVUKYEIGCHMQ-UHFFFAOYSA-N 459.576 1.249 30 10 JDEE CCc1nn(C)c(OC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1498526469 ADYIHJMLTNLTGQ-UHFFFAOYSA-N 472.575 1.155 30 10 JDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCOC[C@H]1C 1503237265 HYPBGGVJAYIFTO-QZTJIDSGSA-N 460.604 1.797 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1507626045 CJZZSHTXFSJPIX-KRWDZBQOSA-N 475.571 1.115 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccccn1)[C@H]1CCS(=O)(=O)C1 1507631980 HQHDEIIYGYZJGS-ROUUACIJSA-N 491.639 1.180 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507632047 IOHAGOJJUJCHDK-QZTJIDSGSA-N 454.618 1.387 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1507634190 MEDOISFWIRNSFE-IBGZPJMESA-N 461.563 1.503 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cccc(Cl)c1 1507653382 NTEWKLMKBGCNCD-SIKLNZKXSA-N 492.001 1.245 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(C(=O)NCC)c2)CC1 1507716919 WJNXPGIDWROOKK-UHFFFAOYSA-N 465.602 1.750 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN2CCCCC2)CC1 1507739547 RFPIESPIBOGSMJ-FPOVZHCZSA-N 490.674 1.268 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(=O)N1CCOCC1 1507749054 SNKHZNFSTLTHRT-UHFFFAOYSA-N 477.612 1.010 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCOCC1 1507821061 SUJGQGTWRRUXLN-GOSISDBHSA-N 470.640 1.124 30 10 JDEE C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1507827990 LSBXTKOEMDISDY-IBGZPJMESA-N 484.601 1.956 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1508138953 BCHPXVBPWRWRPG-GHTZIAJQSA-N 486.598 1.972 30 10 JDEE Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)N(C)C)c1C 1510393245 AQQQTBIXWAIJGT-ROUUACIJSA-N 462.576 1.655 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCC1 1539391910 KPVVLFHEWZTYRE-FQEVSTJZSA-N 491.589 1.695 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2Cc2cc(C)nn2C)n1 1539423993 JASKZPDOYMNLGE-LJQANCHMSA-N 452.563 1.745 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1539474044 IBXIZVOVHMLQPT-UHFFFAOYSA-N 480.569 1.202 30 10 JDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1539682262 WFRDVQQPSMGEPZ-UHFFFAOYSA-N 456.522 1.957 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1539730461 OWQYXMIZMZPUIR-IXDOHACOSA-N 486.639 1.830 30 10 JDEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1)c1ccccc1 1539765619 HMLGGIMVECPESB-OAQYLSRUSA-N 496.612 1.987 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2ccnn2)CC1 1539968367 ZCBLQGJPOVCICM-IBGZPJMESA-N 478.623 1.475 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1540864417 ZHZQCGRXKLAAEW-UHFFFAOYSA-N 497.357 1.883 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1540869040 ABYHLPMBVAVBOI-BXUZGUMPSA-N 456.425 1.464 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1540875408 KYXDXTKZKRERDY-UHFFFAOYSA-N 480.566 1.159 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCNS(C)(=O)=O)C1 1540885953 RWLPAAIYFIDCST-QGZVFWFLSA-N 457.560 1.666 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)c1nccs1 1540903272 BVFSXGZPNIOKHR-LSDHHAIUSA-N 473.646 1.477 30 10 JDEE C=CCCOCCNC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1564480949 NMYLQOFNTXARTE-UHFFFAOYSA-N 459.590 1.007 30 10 JDEE C#CCN(C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 1564669657 VZOFBRWSABONRH-CVEARBPZSA-N 454.346 1.386 30 10 JDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1587783162 LDRFGIMVQOSWAG-IRLDBZIGSA-N 469.634 1.583 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CC1(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1588045249 HYBSGMCJNBSKOR-HNNXBMFYSA-N 466.560 1.288 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1c[nH]nc1C 1588099590 RRJJKUBOGQSPNP-UHFFFAOYSA-N 465.583 1.933 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)COCC 1588233375 HWDOVLYRKQIWGQ-SFHVURJKSA-N 451.593 1.137 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CC(C)C)c1C 1588384737 AFZARQVIPUGIJX-LJQANCHMSA-N 463.608 1.280 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588647456 VJGBJDRBAJJBIV-ZCNNSNEGSA-N 465.620 1.462 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C/C=C\c2ccccc2)CC1 1588837577 YREDSDRESRNINJ-PWYGHMFVSA-N 470.599 1.080 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1588954789 LSSIKIHNXDNORX-MRXNPFEDSA-N 476.628 1.034 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1588968837 RAFIEDUSAGBONV-YTTGMZPUSA-N 457.600 1.707 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO1 1589547785 WDSPBPSANMXGTC-RDGPPVDQSA-N 469.608 1.207 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1594733845 YULKKJZFDXUMJB-BBTUJRGHSA-N 469.608 1.352 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCC[C@H](C)C1 1594961609 CXAZPWOFRQOGFA-OALUTQOASA-N 454.641 1.745 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1595465879 ARQIHTYEHFBWMM-UHFFFAOYSA-N 457.579 1.045 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(CNS(C)(=O)=O)CC1 1595556343 SGOHHJCUXGHOOA-UHFFFAOYSA-N 464.567 1.076 30 10 JDEE CCS(=O)(=O)NCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)CC#N 1617395120 HCSBVNVGQZVLAS-INIZCTEOSA-N 461.596 1.130 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C3CCN(C(C)C)CC3)CC2)ccc1F 1630947497 CJXLUOHUGFEWMU-UHFFFAOYSA-N 452.596 1.921 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)NCC2(OCCO)CCC(F)(F)CC2)ccc1F 1640763112 DYVXZGLGUBLJQI-UHFFFAOYSA-N 450.479 1.977 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1689984520 QKPGDWDEJGVEAN-IBGZPJMESA-N 496.593 1.930 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1689988931 YYRSXXPLJAVOET-HOJAQTOUSA-N 455.584 1.968 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(C=C)cc1)[C@@H]1CCS(=O)(=O)C1 1689990864 SSFWFYNKBFNOGQ-NHCUHLMSSA-N 488.635 1.693 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCCC1=O 1690077136 JKZVMOJJOLNFIB-HXUWFJFHSA-N 455.584 1.810 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1690155754 NTCSSZQHKDXBMU-QRWLVFNGSA-N 467.592 1.492 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(-n2cccn2)c1 1690190034 JOUUHXNFAKERPC-IIBYNOLFSA-N 454.560 1.509 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1ccccc1CC 1690644500 PFZQIWBXCZCGGK-SFHVURJKSA-N 462.576 1.434 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1690675343 XQCYHDQNIWOGED-UHFFFAOYSA-N 491.600 1.203 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCS(=O)(=O)CC)C1 1690700171 OJNLIIBEYYYVEN-QZTJIDSGSA-N 499.634 1.803 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccccc2)C1 1690715598 OZRJWTKHDPNWSY-AEFFLSMTSA-N 467.617 1.483 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN2CCCO)c1 1705504057 LWZPYACXYGNBQF-JOCHJYFZSA-N 493.612 1.417 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1705560433 GUKSKPPGLASOHW-LIRRHRJNSA-N 495.403 1.141 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1705569638 FLTZTMGCTAQVSD-NFBKMPQASA-N 460.600 1.592 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCN(C)C2CCCC2)CC1 1705634023 GUBXIWXUYXLGDI-UHFFFAOYSA-N 499.685 1.825 30 10 JDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1705656664 FMLCRZQOPDJZEG-SFHVURJKSA-N 463.611 1.972 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](OC)C(C)(C)C1 1705699448 HBVNTKYZQUEHIL-XWSJACJDSA-N 483.635 1.453 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1705728984 HDYJIOUUUWLHOD-IBGZPJMESA-N 455.563 1.677 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 1705731404 VFJQYNCGDPBJKA-MUGJNUQGSA-N 466.652 1.792 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1705791441 WFRXSFHGOGATCI-QGZVFWFLSA-N 452.563 1.652 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)NCC2CC2)C1 1705919689 IVYXCITYWLSKHY-GOSISDBHSA-N 459.572 1.656 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1CSC 1705947040 YJJBRVXHAKZXMN-HZPDHXFCSA-N 461.679 1.862 30 10 JDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705950007 PFGBJMDRRPOXAH-GOSISDBHSA-N 450.609 1.030 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cnn(CC)c2)CC1 1722333498 WMODSPUUPLZKKZ-FQEVSTJZSA-N 475.619 1.625 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1F 1722395678 AGMBRSONHZSIQI-IBGZPJMESA-N 463.510 1.400 30 10 JDEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722410224 WZKZYJWUNSLUJN-SFHVURJKSA-N 453.572 1.872 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)n1 1722427059 DTKBXJKTWTYKRI-KBMIEXCESA-N 475.553 1.839 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCOC2)CC1 1722444642 MAOZURXVJFVRRF-BXKMTCNYSA-N 471.533 1.674 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC[C@H]2COCCO2)CC1 1722449363 QFESBNMZXVIOSS-IBGZPJMESA-N 458.588 1.405 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1722459325 HUCIGDSSFQDDQF-ZWKOTPCHSA-N 467.661 1.535 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)C 1722656941 LZKFFFCWAOZWLN-WIYYLYMNSA-N 487.630 1.625 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1722698383 FVGAHUXIOZFFLM-GHTZIAJQSA-N 491.589 1.572 30 10 JDEE CCN(CCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)S(C)(=O)=O 1728495796 GGVMAEIEFIENBG-LEWJYISDSA-N 488.614 1.903 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CC=CCC2)c1 1740564662 UEFPLNYACYOIAO-FQEVSTJZSA-N 482.610 1.498 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1740627602 RHYZCCJFLPZADS-ZWKOTPCHSA-N 460.556 1.474 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)N1CCN(CC)CC1 1740630607 LBEZZAPEHYFOKM-HXUWFJFHSA-N 468.627 1.447 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1740642872 XVPPFSJBXRVXRE-UHFFFAOYSA-N 465.583 1.961 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CCOCC1 1740644494 ISEDUOCQCLKYMJ-ZEQRLZLVSA-N 463.582 1.955 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCCn1cc(Br)cn1 1740678243 GKAUUEAMGLXMCI-UHFFFAOYSA-N 464.368 1.649 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCS(=O)(=O)CC=C)CC1 1740692888 QWNNKVKBNDIVHH-UHFFFAOYSA-N 465.583 1.691 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)CC1 1740794606 DUXIPCNEJXCDMU-HNNXBMFYSA-N 451.515 1.457 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nnc(C)s2)CC1 1740840227 UTXJZFAEGIDGOB-HNNXBMFYSA-N 453.594 1.222 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1740850201 DGZUHYLBSDWFRC-IIBYNOLFSA-N 468.624 1.176 30 10 JDEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740887074 BJTJZMHJMMHVKP-UHFFFAOYSA-N 488.539 1.667 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740989539 QBHCCGPEIUISBQ-SFHVURJKSA-N 461.588 1.907 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)CC1 1740992435 PXNQPFWJPAUDHD-LJQANCHMSA-N 461.544 1.060 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1740993935 GHWIWEXYAINHCA-QGZVFWFLSA-N 461.588 1.340 30 10 JDEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOCCCO)C[C@@H]2C)CC1 1741057410 AAPHSMWHQSXASB-CVDCTZTESA-N 481.601 1.205 30 10 JDEE CCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CCOCC1 1744301304 HQMUWLQVXWWVQQ-LJQANCHMSA-N 480.635 1.948 30 10 JDEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1748731162 WAFWLDBXNNNJQC-WIYYLYMNSA-N 498.632 1.467 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748811087 BMXUSODHEMGYRS-FQEVSTJZSA-N 454.556 1.522 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1748821738 UPAHVPQWUAQJAS-KRWDZBQOSA-N 460.585 1.881 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCN(c2ccccc2)CC1 1748825218 RUYUDQLSKDQRPR-UHFFFAOYSA-N 459.598 1.799 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccsc1)N(C)C 1748892334 NVKRMZNOYKRRCE-UXHICEINSA-N 490.655 1.438 30 10 JDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1748994858 UQSMNYNDLRVYSV-WCWDXBQESA-N 475.553 1.181 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1749008857 CIMWFKJLULXEQH-UWJYYQICSA-N 480.569 1.671 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1749010286 KRKHAYGLTJFXCV-NRFANRHFSA-N 465.602 1.663 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cnccc2OC)CC1 1749020681 ZLYDUYYUKPQMME-RXVVDRJESA-N 468.558 1.420 30 10 JDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749024515 SYTCDNWHQURFCU-UHFFFAOYSA-N 499.597 1.201 30 10 JDEE C=C(Br)Cn1c(N2CCN(CCOCC)CC2)nnc1[C@]1(OCC)CCOC1 1749113321 YKJLDDFGOIDFGM-IBGZPJMESA-N 458.401 1.997 30 10 JDEE C=C(C)COCCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1749240988 BFNXMSCOHWGAHL-JOCHJYFZSA-N 459.551 1.110 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749630118 OSDHFMMSOJPPDI-KRWDZBQOSA-N 484.623 1.633 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(NC(C)=O)CC1 1749670079 OHJKKCSCBBDMOT-SFHVURJKSA-N 489.621 1.800 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1749677936 PUFBZQJKBBHRRV-UHFFFAOYSA-N 457.583 1.072 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nccc(C(F)F)n2)C1 1749711711 BIIAQYXQZWNGOR-ZBFHGGJFSA-N 499.544 1.168 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749725684 UNRUVNZUFXHRQM-RTBURBONSA-N 488.614 1.850 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1749731358 BXUJJYTYBQPFAK-JKSUJKDBSA-N 482.607 1.181 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCNC(=O)CC1 1749734765 MHVTXJQFKWOJFZ-UHFFFAOYSA-N 496.634 1.320 30 10 JDEE CC(C)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1 1751002133 AUPIZTQFEITJAS-UHFFFAOYSA-N 481.601 1.944 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(C)OCCc2sccc21 1751213381 IDJMHIJZYBHPRS-FASAQXTFSA-N 468.580 1.880 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1760154461 FGXDJYQQTBDCKB-BZSNNMDCSA-N 496.634 1.374 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1760181101 PMQDFOBMNFXIAK-MRXNPFEDSA-N 481.525 1.652 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-c2ccsc2)nc1 1760205430 BDVCUUFVSKQYSS-NRFANRHFSA-N 496.618 1.856 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1760243478 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C#CCN(c1nnc(COc2cccc(C)c2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1507640370 QOIIAOOBFCKYPG-HXUWFJFHSA-N 468.583 1.997 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1507640629 UUAMGHPLFPEHLU-FQEVSTJZSA-N 468.583 1.882 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507691189 ZWNVXLRNVSMAOV-VGSWGCGISA-N 481.619 1.402 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1507722445 XKYMCBLBLUVQBW-ROUUACIJSA-N 497.666 1.193 30 10 JDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)NCC)CC1 1507791416 LRQPEYJOUQBGBG-RDJZCZTQSA-N 471.400 1.169 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1508078433 AKIFCCFRMHCNFD-LJQANCHMSA-N 473.541 1.517 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC2CCCC2)CC1 1508094050 XLRMFBCKXXBJJJ-INIZCTEOSA-N 451.593 1.410 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cccnn2)CC1 1508149279 TUQAEEFFSSYFDP-UHFFFAOYSA-N 487.561 1.714 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Oc2ccccn2)C1 1508164037 XZKHOJVZPHPLBD-ROUUACIJSA-N 494.643 1.583 30 10 JDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)CC1 1513196669 HHCJZNANKGTTRE-FFZYEISDSA-N 483.642 1.765 30 10 JDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1518958169 FBKXSDWIMJDECW-RDPSFJRHSA-N 454.575 1.763 30 10 JDEE N#Cc1ccc(N(Cc2ccccc2)C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)nc1 1536616428 DGTBCTJOTBILSI-SFHVURJKSA-N 451.508 1.652 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1539202061 FQSFBFGOFDFNDC-SJLPKXTDSA-N 464.613 1.870 30 10 JDEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1539215975 MHMQENAGKCSKNK-KRWDZBQOSA-N 466.567 1.366 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1539219533 DDZSJWNLMOGWGK-ROUUACIJSA-N 460.556 1.474 30 10 JDEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1CCN1CCN(C(C)=O)CC1 1539278395 AULPKMOESOCCCS-UHFFFAOYSA-N 466.611 1.816 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCN2CCOC2=O)CC1 1539434933 YDLKCNBVSPGCCR-UHFFFAOYSA-N 476.379 1.644 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCN2CCCC)CC1 1539447125 OJPNKPORCJEVNM-NHCUHLMSSA-N 462.664 1.590 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1539476549 BDRHLKFZYUVTJI-IBGZPJMESA-N 479.585 1.816 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCS(=O)(=O)C2)CC1 1539482722 OSAKDKRNBFYDDK-LJQANCHMSA-N 469.611 1.578 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC2(O)CCOCC2)CC1 1539488485 KFISJAJBAOJUMI-UHFFFAOYSA-N 469.590 1.037 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2F)CC1 1539517617 PXQGPUMPOZRPBN-MRXNPFEDSA-N 464.592 1.407 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1539728951 MNLGNPVKEMCDPC-LJQANCHMSA-N 488.614 1.982 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1540198608 NGNVIRXJWKPFBH-GOSISDBHSA-N 467.574 1.552 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1540897517 KZRLXRRFFUFDJR-WJOKGBTCSA-N 479.628 1.489 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1540901070 RNKRWHMYRMPNHO-ZDUSSCGKSA-N 460.482 1.379 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccn1 1554164974 DUUKKXVWLLYGCL-OAQYLSRUSA-N 481.582 1.757 30 10 JDEE CCOC(=O)C1(S(C)(=O)=O)CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 1559817913 AFLIUFAGPHLBDF-ZDUSSCGKSA-N 453.586 1.878 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCN(C)C(C)(C)C2)c1 1587692938 MXXVSJCLNVCZPC-NRFANRHFSA-N 492.628 1.311 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCCN1C1CC1)[C@@H]1CCS(=O)(=O)C1 1588024771 LBZGVAXVBHQNQF-RTBURBONSA-N 462.620 1.060 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](OCC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588024813 MPZNCHSSOBYQCZ-NHCUHLMSSA-N 485.610 1.919 30 10 JDEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1588041290 WAQHCAHITGUSQZ-LJQANCHMSA-N 484.582 1.945 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1588200184 GDSBKSKKXCUEKS-UHFFFAOYSA-N 472.567 1.365 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCN(C(C)=O)C1 1588637518 HKLFBNFPGLWFKA-SFHVURJKSA-N 463.542 1.938 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1588876854 LKFGGYNXHBVFMH-ZCVJKFOLSA-N 457.575 1.875 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[S@](=O)CC 1589171755 RKVNNTIUKRMYNE-IIMAJNMQSA-N 463.629 1.956 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1C(C)(C)C)C(C)C 1595170631 GGWODEOJXXUXDT-MOPGFXCFSA-N 457.623 1.421 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@@H]1C 1595536799 GRPNCTLKGYADIN-INIZCTEOSA-N 478.557 1.034 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)cc1 1595613997 LWSBKZINNKMNSU-RTBURBONSA-N 459.572 1.856 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)cc1 1595798463 POAQBINLCWNRII-MRXNPFEDSA-N 456.565 1.557 30 10 JDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1596095818 GOQNNBAXVVLWID-HSZRJFAPSA-N 492.628 1.818 30 10 JDEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)CC1 1617334049 DQJNIISLRAIAHH-HXUWFJFHSA-N 474.587 1.482 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 1631311958 FXAMTCGVKSTJEK-AWEZNQCLSA-N 450.966 1.128 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CC1 1632961333 WFCXTLZYMYSANZ-DHIUTWEWSA-N 453.564 1.981 30 10 JDEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CCOC1 1649662460 BZNBZKILJYVRJB-OFNKIYASSA-N 488.614 1.862 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)CC1 1681860374 QFOSILURQHCAKU-FQEVSTJZSA-N 456.572 1.104 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)CC1 1685648640 QNMTXNJBTVASQJ-BHIFYINESA-N 459.616 1.082 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1C 1689852973 NKIVMSAQLDWLDY-NLWGTHIKSA-N 461.588 1.845 30 10 JDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1689920924 OEGVTGNMURKQNY-UHFFFAOYSA-N 468.558 1.549 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1689930380 QNHKDPDKMRHERR-KNQAVFIVSA-N 477.562 1.261 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)Oc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1689978397 UUFRJJOPQPOJHD-WOJBJXKFSA-N 485.610 1.917 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1689988442 PBJHXQUCEIMULL-UXHZXRBQSA-N 466.567 1.785 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689996237 FQARFVPYGCHVKY-QFIPXVFZSA-N 481.626 1.903 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)(C)C)CC1 1690312687 AMISPTXUCTVKJY-LJQANCHMSA-N 484.667 1.514 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CN(C)C1=O 1690603996 MNLPWBFDPQMPQS-AUSIDOKSSA-N 457.600 1.894 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1690673532 XEBHNQNITFJAOO-HXUWFJFHSA-N 487.630 1.397 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1690676021 NAPWKFONPUHAQQ-MAUKXSAKSA-N 458.950 1.870 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 1690686840 UXVNWJDTQLKDRX-VQIMIIECSA-N 491.618 1.811 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1690730179 ZLEUWTJIYIBZCF-HNNXBMFYSA-N 478.541 1.074 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1690792518 OXHVXWUIOHLAJS-XZSMOWGESA-N 495.559 1.839 30 10 JDEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C1 1690941912 DJKAGSLGHMYLDP-KRWDZBQOSA-N 493.490 1.760 30 10 JDEE 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C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 25437134 JHKKTPRTJCHCGT-UHFFFAOYSA-N 485.609 1.163 30 10 JDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 72444360 HCHUAQMFIPAKQE-GJZGRUSLSA-N 452.427 1.245 30 10 JDEE CN1C(=O)/C(=N/NC(=S)Nc2ccccc2F)c2cc(S(=O)(=O)N3CCOCC3)ccc21 105377300 TWGHRDJLLWMPJX-PTGBLXJZSA-N 477.543 1.514 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1C[C@@H]1CCCO1 603798161 JSGSZYCOXSGKBN-INIZCTEOSA-N 463.481 1.913 30 10 JDEE NC(=O)CSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cc(Cl)ccc3O)n2)s1 1084247812 LGXQOALXWUFFLG-UHFFFAOYSA-N 499.991 1.769 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)c1 1125257301 XSPJPNHBKMYBFN-UZUQRXQVSA-N 475.567 1.347 30 10 JDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNC(=O)c1ccc(Br)cn1 1166464274 PJXRXLFKVUNZAW-HNNXBMFYSA-N 453.337 1.997 30 10 JDEE C[C@H]1CN(S(=O)(=O)N2CCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)C[C@H](C)O1 1180011002 DQEXQVRRHSVWNR-ROUUACIJSA-N 458.588 1.430 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(F)(F)F)cc1 1286410507 UKKKSGKNWAEFOF-SFHVURJKSA-N 481.500 1.751 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN(C)Cc2ccccc2)CC1 1286469528 IGPCKOPOEWAMMC-UHFFFAOYSA-N 458.570 1.813 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(OC)c2)CC1 1286497049 ZGHAXVDYAZSHHW-QGZVFWFLSA-N 478.644 1.590 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Nc2cccnn2)CC1 1286608244 OPLSPHMGUFWAQT-KRWDZBQOSA-N 461.592 1.644 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(c2ncccc2F)CC1 1286699606 FHUFNUZAPMRANN-LJQANCHMSA-N 493.609 1.828 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)nc1 1286745818 IJHVXISKBMAGNW-IBGZPJMESA-N 466.567 1.915 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1286778403 ACOLFKLDVYYNRI-FCEWJHQRSA-N 456.522 1.822 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1286788076 PILOIWPYUJJMIT-KRWDZBQOSA-N 458.538 1.554 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCS(C)(=O)=O)C1 1286808244 KFLQNKGFZHZZDK-OAHLLOKOSA-N 458.544 1.810 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1286816665 MJBGKHDVOOCQSU-HXOBKFHXSA-N 492.598 1.947 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1286822608 LNCZSRFNIVQKDC-UHFFFAOYSA-N 458.588 1.313 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1286824087 TWDRZEIUBSDTMY-UYAOXDASSA-N 498.657 1.833 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@](C)(C#N)C1 1288274308 HRPCHPYHAMTZJE-QFIPXVFZSA-N 470.603 1.974 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCCCC2)CCO1 1299154652 HPAKMYPILFBUIN-NRFANRHFSA-N 467.574 1.556 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)Nc1c(C)cccc1C 1300307264 CYZGECDBXHSKAP-QZTJIDSGSA-N 474.587 1.324 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1300481881 CEXIRCGLBPVDLZ-LSDHHAIUSA-N 468.377 1.841 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN1CCN(C)C(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1300489906 VNJXMEJRTDXLFR-IBGZPJMESA-N 474.631 1.499 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 1300502111 QWUHKOVQUDVDOM-INIZCTEOSA-N 462.601 1.035 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300579464 VVBZDQXSZKMLKE-HXUWFJFHSA-N 496.641 1.197 30 10 JDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(CS(C)(=O)=O)c1 1300597929 XBUKVSWUCUFLRB-UHFFFAOYSA-N 452.540 1.978 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccs1)N(C)C 1300631317 PQDURMDVQISCTB-IAGOWNOFSA-N 466.633 1.435 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1300663848 HCSHIWLRCWMJHQ-WOJBJXKFSA-N 458.588 1.630 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCN2CCN(C)C(C)(C)C2)CC1 1300725789 KBKUSQVXGNWVFQ-UHFFFAOYSA-N 457.667 1.859 30 10 JDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1300988509 FCHLFSGLPUCACR-LJQANCHMSA-N 455.563 1.933 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(COC)CCOCC2)CC1 1301125030 LUEMCXSZCFAZMI-LJQANCHMSA-N 483.635 1.457 30 10 JDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1301238775 DGHDULYQDAKCQF-MIALQEHNSA-N 457.597 1.254 30 10 JDEE C#CCN(C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)[C@@H]1CCS(=O)(=O)C1 1310166023 GPHFXXUPMZBDAI-AXNLMSORSA-N 452.558 1.154 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CCS(=O)(=O)N(C)C)c1 1358901453 LPSLXLPNDJUXQV-UHFFFAOYSA-N 470.555 1.794 30 10 JDEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1358921960 OXBQJRLDHRNUQC-INIZCTEOSA-N 457.332 1.268 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(C)(C)O)c1)[C@@H]1CCS(=O)(=O)C1 1358961475 ZWULHTKAWKTSAS-HXUWFJFHSA-N 468.583 1.581 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1358962362 ONLGJSDDBQJIDD-MOPGFXCFSA-N 458.588 1.656 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(C(OC)OC)c1)[C@H]1CCS(=O)(=O)C1 1358964259 WKXGULWDKOXNDJ-UXHICEINSA-N 474.583 1.748 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1358967487 LHYWDVSLLNBQCQ-HNNXBMFYSA-N 476.559 1.831 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)c2cccs2)CC1 1359035921 IMEAONPUUMVMKE-GOSISDBHSA-N 492.671 1.406 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(C)c1 1359070019 CYCKKSJXTOHDRY-AUSIDOKSSA-N 455.584 1.911 30 10 JDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359219021 CWXRGECCFDTIAV-OAHLLOKOSA-N 457.560 1.709 30 10 JDEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C)C(=O)[C@H]1C 1359227205 WFPMKUUWIYTKIJ-GOSISDBHSA-N 454.579 1.712 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1359280953 JPODGLCIVQZLIX-QGZVFWFLSA-N 486.598 1.748 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1359303610 VLHRJNCIOIDMKU-HXUWFJFHSA-N 451.531 1.513 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1359333247 RRDYUSRATGEDMS-APWZRJJASA-N 492.577 1.922 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCOCC2(CCC2)C1 1359334579 KMOZUJAVKFTCPX-UHFFFAOYSA-N 479.628 1.877 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1359337202 LUZRLEQFGXAVGO-HNNXBMFYSA-N 473.669 1.438 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1359343654 XZXMWKBANVBBOC-GOSISDBHSA-N 482.676 1.827 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](COC)C1 1503264696 IANAWHIHFPXQGG-IBGZPJMESA-N 462.576 1.340 30 10 JDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CNS(C)(=O)=O)CC1 1507579737 GEQFOWNSEGTMQL-UHFFFAOYSA-N 459.572 1.895 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1Cc1ccccc1 1507616959 QAZYFRFJMLFHIC-LEWJYISDSA-N 472.615 1.345 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 1507622066 AWPWTSIJFVTUSY-IBGZPJMESA-N 477.537 1.662 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC1(O)CCOCC1 1507661477 XAYYPWKMSNVBHF-UHFFFAOYSA-N 484.626 1.941 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N2CCOCC2)CC1 1507671851 QLACTLLZLICJOU-OAQYLSRUSA-N 498.628 1.914 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(N(C)C)CCOCC2)CC1 1507722890 NAQZFVIUPZSXKG-UHFFFAOYSA-N 468.602 1.828 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1507750857 GMUKGGXYGHOIMW-OKZBNKHCSA-N 495.671 1.850 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnccn1 1507797451 LPKJLVPPKMZGDI-WDSOQIARSA-N 477.591 1.019 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCn2ccnc2C)CC1 1507884639 KRILKTPGXVECQT-IBGZPJMESA-N 463.608 1.753 30 10 JDEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507960924 ZLLDEHKYEVVJDM-KRWDZBQOSA-N 477.587 1.779 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1508093815 WLESAJYJRGCCIS-RHSMWYFYSA-N 494.474 1.598 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)cc1 1508100849 PNJCFQMWTPNJCP-ROUUACIJSA-N 480.612 1.417 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCOC[C@H](C2CCC2)C1 1508131304 LGKZRLYKIBTNCC-GOSISDBHSA-N 451.593 1.368 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1508131356 LVMRBLVBJIFGJT-UHFFFAOYSA-N 466.652 1.573 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1508137386 ZVAAOYSPIOZNLT-INIZCTEOSA-N 458.993 1.823 30 10 JDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)C[C@H](C)O1 1514136549 CBQXKLLQODZJON-PGRDOPGGSA-N 451.575 1.985 30 10 JDEE CCN(CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1515590980 BVTJTWOGJDKLLV-GOSISDBHSA-N 482.637 1.485 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1539216748 WQVGNNIMSDZLAF-IBGZPJMESA-N 454.556 1.671 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1539226045 TWAYGRIUAUPJBV-HYDGNGQDSA-N 467.642 1.172 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@H]1C[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1539230057 BOLVIFRQGOEHHJ-VMXHOPILSA-N 454.568 1.767 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(Cl)c(OC)c2)CC1 1539446592 GUHPKISDOAWRQG-GOSISDBHSA-N 478.018 1.840 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(CO)c2)CC1 1539459322 DGQGQJFRPMOOMZ-UHFFFAOYSA-N 450.568 1.565 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1539476558 BNBRBFYGEGWJSN-UHFFFAOYSA-N 466.590 1.293 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNS(=O)(=O)c1ccc(C)s1 1539669662 SHRNOPPIWMLHOL-MRXNPFEDSA-N 487.673 1.931 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cncn1 1540134188 TWBLFALQHDPIGK-IBGZPJMESA-N 472.575 1.095 30 10 JDEE Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1S(=O)(=O)N(C)C 1540354057 CDXFFEKSEDQLKJ-AWEZNQCLSA-N 450.542 1.423 30 10 JDEE CC(=O)N1CCN(CCNC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1540812326 DIESCURMKAIFSA-NRFANRHFSA-N 455.559 1.673 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)(C)C)C1 1540903236 BFSJKVLJWGICAV-IAGOWNOFSA-N 489.664 1.084 30 10 JDEE Cc1nn(C)c(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1542995081 HTUPWDNFQRYDJM-HNNXBMFYSA-N 468.587 1.686 30 10 JDEE CCOC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)C1 1547819963 HYCITQZDJPNIQE-SFHVURJKSA-N 469.546 1.922 30 10 JDEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1ccn(C)n1 1548372384 AWEJKVCALPLRHV-GOSISDBHSA-N 464.448 1.404 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@](C)(O)c2ccccc2Br)cc1 1568148624 CWEGHFDWWBABMO-LJQANCHMSA-N 451.342 1.998 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cc(-c2ccccc2)no1)[C@H]1CCS(=O)(=O)C1 1588024975 QSEQRUQWVHJOMW-SFHVURJKSA-N 482.566 1.746 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1CCS(=O)(=O)CC1)[C@H]1CCS(=O)(=O)C1 1588039713 CNRQGKQZCAUYPU-KRWDZBQOSA-N 466.585 1.298 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CC1(C(=O)NCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1588070266 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C=CCNC(=O)c1cccc(S(=O)(=O)N2CCO[C@@](COC)(C(=O)OC(C)(C)C)C2)c1 1663373504 UPOFDNUITLASDE-NRFANRHFSA-N 454.545 1.350 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689991091 VRBRASYQXYCFNF-IEBWSBKVSA-N 463.604 1.248 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1689993763 KWNKHZYUUPVUTQ-LEWJYISDSA-N 456.616 1.623 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1689998468 MVPJDSDZGOJYLH-IPMKNSEASA-N 477.631 1.350 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(CCN(C)C)CC1 1690006527 RSSAYGQJXCAJJI-UHFFFAOYSA-N 482.654 1.695 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1690013103 BJUSYLAPQFQQHF-PMACEKPBSA-N 483.642 1.810 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C)c(C)s1 1690047723 XNXFZFXXRONRGZ-KRWDZBQOSA-N 462.601 1.196 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690072451 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C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccc(OC)cc1 1690644351 GLYPSLYPXRIVIX-GOSISDBHSA-N 451.549 1.321 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@H](C)CC(N)=O 1690662002 NYMYHOHETNNFFQ-LLVKDONJSA-N 453.316 1.849 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1690666261 YAUHIZOYJFSIIG-UHFFFAOYSA-N 481.944 1.964 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1690722647 QIVKUSADDMGABF-UHFFFAOYSA-N 487.561 1.810 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCOC(C)(C)C1 1705489825 WZQSFXVSYOPWSE-QGZVFWFLSA-N 459.620 1.807 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1705493109 CHBRFILXSFMYNY-ATIWLJMLSA-N 458.563 1.712 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(C)C 1705495916 XMNFKGATEKYGGQ-FXAWDEMLSA-N 461.588 1.904 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nnnn1CC1CC1 1705505709 MVTKPVTZSKTGPY-OIISXLGYSA-N 455.567 1.952 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1705561079 NDZCYYAWTGVOIH-SFHVURJKSA-N 471.539 1.763 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCOc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1705561960 WCDJYCHHEHNYTB-HYBUGGRVSA-N 488.610 1.944 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1705562602 GJVOCSDBUIORSQ-SFHVURJKSA-N 454.556 1.671 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1705566242 LRQXOOYQLIRUFJ-RTBURBONSA-N 462.597 1.164 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1)[C@@H]1CCS(=O)(=O)C1 1705570603 OYDVQFWNXOLJSC-PZJWPPBQSA-N 486.642 1.772 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1 1705628495 IMWXZTGBDRZMRA-IBGZPJMESA-N 465.551 1.079 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1705641052 OLOKDTXTHGMJKS-UHFFFAOYSA-N 480.594 1.502 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2CCCC[C@@H]2C)CC1 1705645207 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C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)CC1 1722738291 FOCSMITUVBNOER-KRWDZBQOSA-N 455.650 1.400 30 10 JDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1740600414 LBBGBFMXNNEZHW-OAHLLOKOSA-N 452.581 1.525 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1740623455 UNLXPOZMQVNGPT-IBGZPJMESA-N 453.572 1.940 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1740671238 BNOTZKXMNXZYKD-UYAOXDASSA-N 486.598 1.124 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCN(C)S(=O)(=O)CC)CC1 1740693053 UCHSAXHTFHLWAJ-UHFFFAOYSA-N 474.587 1.101 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC(=O)NCC2CC2)CC1 1740707131 QINHPJOXFXEZIO-UHFFFAOYSA-N 452.534 1.500 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1740716254 OPBWDFLXBLTKIJ-OAQYLSRUSA-N 467.643 1.854 30 10 JDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)NC(C)(C)C 1740739673 XSTLQWQHFCSMMC-LLVKDONJSA-N 451.391 1.148 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(=O)COC)CC1 1740765445 XJNYTVBAJCQFOJ-GPHNJDIKSA-N 477.606 1.715 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1740850196 DGZUHYLBSDWFRC-HRAATJIYSA-N 468.624 1.176 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OCCC 1740899805 JGUPUVVVLLUHHK-QGZVFWFLSA-N 450.565 1.465 30 10 JDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC(=O)N(CCOC)C1 1740900427 QHQYKHRPGLBWGJ-ZWKOTPCHSA-N 478.594 1.704 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(C)c2C)CC1 1740959792 FDOKXBVEEJZZEG-LJQANCHMSA-N 472.615 1.426 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1740962251 XDLQFGSGPFQGBU-UHFFFAOYSA-N 474.612 1.976 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(OC)CCOC2)C1 1740974573 NYRBSFPPXALLSG-AVRDEDQJSA-N 462.572 1.935 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2nc(C)c(C)s2)C1 1740982889 YEZGSJSMKZWBGD-QZTJIDSGSA-N 496.659 1.708 30 10 JDEE C=CCSCCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@]1(OCC)CCOC1 1741004720 KFCMPSXAUYPHLI-CVDCTZTESA-N 478.663 1.592 30 10 JDEE C[C@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CCCO1 1743342465 BRHRQQPUFVRSIS-SFHVURJKSA-N 453.547 1.166 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCCn2cc(CO)nn2)c1 1748692009 BAGSPLWRSRFQJX-UHFFFAOYSA-N 485.552 1.879 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1748819113 KWIBSHSOGHDOMF-LJQANCHMSA-N 475.590 1.797 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1CCS(=O)(=O)CC1)[C@H]1CCS(=O)(=O)C1 1748820042 XZNCQTSLQLYEFF-FQEVSTJZSA-N 494.614 1.460 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCC(F)(F)F 1748863983 MJTPFHXFPSVMQR-HNNXBMFYSA-N 484.504 1.736 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)NC(=O)OC(C)(C)C 1748962968 VKHVNBKKTGTGOY-INIZCTEOSA-N 469.608 1.570 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)N(C)C 1748965805 WSNIQJVCCPBLGU-GOSISDBHSA-N 478.594 1.541 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCS(=O)(=O)N(C)C)CC1 1748979573 FORGPQVFQKQKEU-UHFFFAOYSA-N 487.449 1.416 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCCN2CCC(O)CC2)CC1 1748998842 BSEPOSWRVYYWFC-UHFFFAOYSA-N 456.566 1.598 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2nc(C)cs2)CC1 1749014563 KOADNJQXEUCVDF-QAPCUYQASA-N 490.655 1.715 30 10 JDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1749198335 FNTWGJPRYAJVTF-QYZOEREBSA-N 488.614 1.967 30 10 JDEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749634001 UGGOIUIQZWCLJG-CRAIPNDOSA-N 452.515 1.782 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1749669006 BMHGXYJYRPRELU-OAQYLSRUSA-N 482.585 1.722 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1749672218 SYJNUFGIRQUXEC-UHFFFAOYSA-N 460.604 1.388 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(CN3C[C@H](C)O[C@H](C)C3)CC2)nnc1[C@]1(OCC)CCOC1 1749682724 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452.588 1.994 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)c2c(C)noc2C)CC1 1760265160 PWAYWWJLIBIBPI-HNNXBMFYSA-N 455.563 1.791 30 10 JDEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760274550 PQRPWRIXDCJRQW-CYBMUJFWSA-N 450.366 1.616 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1 1760281733 QJYZAOUQGRXONO-HOTGVXAUSA-N 464.592 1.265 30 10 JDEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)NC[C@H]2C1 1760350828 UJHGIPOJPNTOEK-HNNXBMFYSA-N 464.368 1.853 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1760464477 IGXUBGUZHCROKU-HZPDHXFCSA-N 472.612 1.394 30 10 JDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1760506344 HXRZEPICWKFUMR-UHFFFAOYSA-N 495.675 1.983 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)c3ccsc3)CC2)nnc1[C@]1(OCC)CCOC1 1760528936 RCHQMXCROAOAHJ-QFIPXVFZSA-N 474.587 1.256 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C(=O)NC)C2)cc1 1760531145 DXWLFECIBZISTG-TYPHKJRUSA-N 471.558 1.566 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1760556302 ZEEINURPOKPMGZ-UHFFFAOYSA-N 475.619 1.970 30 10 JDEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)C1 1761549901 HCDRXAVDKNZZRV-NRFANRHFSA-N 454.922 1.981 30 10 JDEE CCN(CCCn1c(-c2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)S(C)(=O)=O 1765216018 GTYSSBFFWRBFNJ-UHFFFAOYSA-N 495.613 1.605 30 10 JDEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC1(O)CC(OCC)C1 1766413668 APOXMMVROSHXLP-UHFFFAOYSA-N 454.575 1.938 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1772564606 DYNRQUGWYGOTPY-GOSISDBHSA-N 472.575 1.375 30 10 JDEE C[C@]12C[C@H](O)[C@@]3(Br)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO 1848437876 RFXXJEVRBZORDZ-OBYCQNJPSA-N 455.345 1.046 30 10 JDEE in-vitro COc1cc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCNC(C)=O)cc(OC)c1O 1862600864 QPDDYOGHTYQIPV-IBGZPJMESA-N 456.451 1.829 30 10 JDEE C=CCn1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc2c(NCCN3C(=O)CSC3=O)ncnc21 1875232694 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1.938 30 10 JDEE CN(CCNC(=O)OC(C)(C)C)CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268723651 XUJWTLIAFGZEHA-UHFFFAOYSA-N 452.336 1.915 30 10 JDEE CC(C)(C)OC(=O)N1CC2(CCOCCN2C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2281929625 ZEVNYDBUYBQTLS-UHFFFAOYSA-N 462.356 1.561 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2282033017 NRPHRBPIZOZZGQ-HZPDHXFCSA-N 465.331 1.932 30 10 JDEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282042985 HBPFSXVULJXJKM-OAGGEKHMSA-N 464.372 1.520 30 10 JDEE CN(Cc1ccccc1)[C@@]1(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCOC1 2282686455 SMXVJJAKMGSMDF-XMMPIXPASA-N 452.364 1.797 30 10 JDEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@H]1[C@H](O)[C@H](O)CN1C(=O)OC(C)(C)C 2284119016 NHXRLYDVHHGGJZ-HYVNUMGLSA-N 482.408 1.347 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@H]1C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2331879862 URKLAQGRCVQWCQ-IXDOHACOSA-N 452.357 1.508 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](NC(=O)C(F)(F)F)C[C@@H]2C)n1C 2362341541 TXKKOFNTYDGSLT-AAEUAGOBSA-N 458.290 1.699 30 10 JDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccc(O)c(OC)c2)[C@@H](C#N)C(=O)N3)CC1 101442462 QXRDGFZBQBSWRG-RHSMWYFYSA-N 467.482 1.487 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CCN2C(=O)c3ccccc3C2=O)nc1C 586301437 DXNQNAJKKPTBAP-WJOKGBTCSA-N 461.521 1.778 30 10 JDEE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=NNc1nnc(SCC(N)=O)n1N 1084320259 DTHZKDSOBBFUPK-UHFFFAOYSA-N 454.564 1.500 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1128433516 KQNOYCXIAHSLOL-NRFANRHFSA-N 459.568 1.420 30 10 JDEE C=CC[C@@H]1CCCN(CC(=O)N(CCOC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1171841570 PZGZGUYDZOCRLV-GOSISDBHSA-N 455.559 1.847 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@]2(C)CN(C)C2=O)c1 1286310012 AJHUBHWZILKOIL-VWLOTQADSA-N 457.538 1.798 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1286324840 SEHOPFJUDALWQD-FCHUYYIVSA-N 471.627 1.839 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1286390178 YHAVNENSGQRDKF-RBUKOAKNSA-N 471.583 1.633 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](F)COC)CC1 1286488582 OUJPIRCMBQJTMV-GCJKJVERSA-N 451.543 1.269 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2nccs2)CC1 1286492218 DUWDBTBMYCHMOH-KRWDZBQOSA-N 476.628 1.235 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1286546195 HDBLBOIUGXLJPR-OWYHZJEWSA-N 468.624 1.174 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1286551724 IUIPYZZSKBFBBF-FUHWJXTLSA-N 452.606 1.844 30 10 JDEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1286606028 DWIDZOQKQLVHEY-LJQANCHMSA-N 495.584 1.609 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1 1286741278 FPTHEJJNJLUEQG-OAQYLSRUSA-N 496.597 1.457 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1286782369 SIFBZJVRLCUKPW-OAQYLSRUSA-N 482.589 1.760 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1286784947 ZJDGQWJROREPQD-UHFFFAOYSA-N 451.575 1.382 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1286787198 CEOWCFXPEWJIJL-HNNXBMFYSA-N 480.541 1.087 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@]3(CCC(=O)N3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286793141 SYDKVZOIGVPPBA-VBURHUQHSA-N 473.578 1.210 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1286814087 JSPPQQPORQGFDN-NRFANRHFSA-N 497.625 1.925 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1286819246 FDKHMIKREGCEHQ-LJQANCHMSA-N 458.588 1.105 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1286821567 PEXVRZIQCSRNOD-OAQYLSRUSA-N 486.598 1.790 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1286821653 RJHWXNYWBLQOHT-RBUKOAKNSA-N 461.563 1.856 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(CS(C)(=O)=O)CC1 1300464319 AZCBQDULJJSFJT-INIZCTEOSA-N 467.592 1.481 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(-n2cncn2)c1)[C@@H]1CCS(=O)(=O)C1 1300479537 ORQCHYWIZDSBOH-LJQANCHMSA-N 453.572 1.831 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1300483431 LNNLXVPVYWAEAN-HTAPYJJXSA-N 457.556 1.059 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1300491348 HIYBCNMRDRPDHN-HZPDHXFCSA-N 451.499 1.699 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(COCC)cc1)[C@@H]1CCS(=O)(=O)C1 1300495167 DYDUVFVATZAKJU-LEWJYISDSA-N 458.584 1.994 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300496868 VPDRLOYWIVJRNF-QZTJIDSGSA-N 481.619 1.714 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1300705694 CAAVLWHJCWNKTQ-UHFFFAOYSA-N 459.595 1.413 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1300722373 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C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1301509714 MQIXPURFMKEZNA-IBGZPJMESA-N 456.595 1.131 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1301579026 LUCUJXITLSWDCR-QGZVFWFLSA-N 472.571 1.369 30 10 JDEE Cc1nc(CCn2c(CCN3CCN(c4ccccc4)CC3)nnc2N(C)C[C@@H](C)C#N)n[nH]1 1304685272 IFKZSGYGNXIAQN-IBGZPJMESA-N 462.606 1.908 30 10 JDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCCS(C)(=O)=O 1358927408 XUYGQVNIRWCBTG-UHFFFAOYSA-N 452.606 1.523 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCN1CCCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358963805 OIICBKCQQIHZBL-WOJBJXKFSA-N 465.664 1.994 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H]1CC 1359025760 XXWMSVTZIRYCAL-OTWHNJEPSA-N 453.609 1.523 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(OC)c(O)c2)CC1 1359040430 UXAJAVGVGQNELT-UHFFFAOYSA-N 482.585 1.925 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnc(C)s1 1359132936 IKTVJEDWPYWMCG-KRWDZBQOSA-N 470.621 1.605 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C1 1359311549 CRZRYTQKBKGHSV-ZWKOTPCHSA-N 486.539 1.949 30 10 JDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1NC(=O)C[C@]12CCN(C(=O)OC(C)(C)C)C2 1469941528 PQOORYPYJDTIOX-NYHFZMIOSA-N 450.536 1.936 30 10 JDEE CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1503260101 BIXVQCFEGSKUEP-RBUKOAKNSA-N 493.611 1.064 30 10 JDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CC(=O)N(CCOC)C1 1507604607 LKXBNYRTNXABAW-QGZVFWFLSA-N 473.603 1.111 30 10 JDEE C#CCN(c1nnc(CC)n1C[C@@H](c1cccc(C)c1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507633500 GIMQWIVACGMCIA-VXKWHMMOSA-N 471.627 1.849 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCOC2=O)cc1 1507690370 RRFMTGOYOYDJER-IBGZPJMESA-N 488.570 1.075 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCN2CCCO[C@@H](C)C2)CC1 1507727693 SGRSOYMQUPTLIY-FQEVSTJZSA-N 485.658 1.526 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCNC(=O)C(C)(C)C)CC1 1507735714 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C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1539751034 GDGKDIMIMKYONQ-QYZOEREBSA-N 469.608 1.209 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1540864001 MGEFRQHVDMSPLE-CQSZACIVSA-N 490.406 1.843 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1540875671 UKDXQIXXOCCFTA-PMACEKPBSA-N 457.531 1.552 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cnc3c(Cl)cnn3c2)C1 1540884887 XDNSNGGOALFZON-GOEBONIOSA-N 495.009 1.608 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)[C@@H]1C 1540904784 OODOSFYLROBYBE-YJBOKZPZSA-N 461.544 1.058 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(N2CCCC2=O)CC1 1540905562 XGMTUGVIMXBTGZ-UHFFFAOYSA-N 458.588 1.456 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C(C)C)C1 1547786124 CZVLSGUYEIZKRQ-KNQAVFIVSA-N 476.603 1.654 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)N1CCSCC1 1554164938 CEMKMBYJUBWHRJ-GOSISDBHSA-N 489.627 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C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1689982255 KBWJMCOGFBARSC-UEXGIBASSA-N 468.645 1.843 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CCOCC1 1690020063 XXJQZNUUZLCIOT-JOCHJYFZSA-N 497.621 1.432 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCN(C(C)=O)C1 1690103145 AEPHLHUABDTMIU-OAQYLSRUSA-N 480.617 1.797 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2CC2CCS(=O)(=O)CC2)n1 1690109545 VRZMBFFJCBLKJJ-FQEVSTJZSA-N 490.630 1.480 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1690135014 OJFJKFAOFYJJEA-SFTDATJTSA-N 483.661 1.848 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(SC)CCOCC2)CC1 1690154058 IRFUFMGYKIJBKT-PMACEKPBSA-N 491.658 1.880 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C(N)=O)CC1 1690159554 DQPLBNBHGMDFOW-UHFFFAOYSA-N 476.628 1.264 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@H]([C@H]3CCCO3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690678386 UVPJXKNVUGGSAF-HCXYKTFWSA-N 490.605 1.735 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCO[C@@H](C)C3)nc2)C1 1690684826 PFHYIJKMARMLTA-AZUAARDMSA-N 469.590 1.866 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690717702 NVGRUTVWSPYOSL-AWEZNQCLSA-N 498.407 1.193 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1690732225 XNFGTFXVMKKYJV-FQEVSTJZSA-N 483.642 1.782 30 10 JDEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690749127 SDRUKPFSOMWIMR-UHFFFAOYSA-N 460.629 1.777 30 10 JDEE CS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)CC1 1698301609 HSGQBXYLLRJTGD-UHFFFAOYSA-N 486.598 1.801 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2OCCC2(C)C)c1 1705503837 GDAXKCLBPFYDNL-VQIMIIECSA-N 488.614 1.760 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCC[C@@H](C)C2)c1 1705506720 GYLPAIKVXMQDBE-TZIWHRDSSA-N 498.653 1.968 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(C(=O)NCC)c1)[C@H]1CCS(=O)(=O)C1 1705565662 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C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1705904904 BVYUFQNSSWMPEK-XFAGBWLFSA-N 455.559 1.952 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](c2ccco2)N(C)C)C1 1705926120 YPTUYOBVKWJVDT-HBFSDRIKSA-N 494.618 1.288 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@H](CN2CCOCC2)C1 1705932748 JWAAIHUDIGCNAW-GOSISDBHSA-N 463.579 1.844 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(S(=O)(=O)c3ccccc3C)CC2)nnc1C(C)(C)C 1705938700 HNWLRKYEHZXUCN-UHFFFAOYSA-N 495.671 1.996 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1722362777 OSHWBVZSMCCNHD-MRXNPFEDSA-N 470.020 1.736 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCNC(=O)C1CCC1)[C@H]1CCS(=O)(=O)C1 1722364286 FNGHNLDGGZJYFT-IBGZPJMESA-N 490.655 1.567 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](OC)C2CC2)CC1 1722444445 YJGPSTUZBBHADF-OAQYLSRUSA-N 485.610 1.739 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1722697822 QQVPNAZOBNJQJW-JOCHJYFZSA-N 450.478 1.419 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722726349 CQQDPAGTJBDDAH-UHFFFAOYSA-N 459.638 1.397 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1722726801 IKDQLHOMPQZHFY-QGZVFWFLSA-N 493.659 1.171 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1722729407 JZGIITFYBQEFRC-KRWDZBQOSA-N 466.633 1.587 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCCNS(C)(=O)=O 1740631960 YWURWMWUAFTJMH-UHFFFAOYSA-N 468.352 1.859 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCC(=O)N2CCOCC2)CC1 1740704667 VXNXFWYTSIGMMX-UHFFFAOYSA-N 464.570 1.468 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C(=O)OC)CC1 1740711418 NCUNIRHGELFQLI-UHFFFAOYSA-N 491.639 1.951 30 10 JDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1740717939 DKTUCHNVAHYETQ-INIZCTEOSA-N 456.572 1.690 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1740843631 MKTYMEOWLYVRSZ-ROUUACIJSA-N 465.624 1.901 30 10 JDEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740879598 KMILGSLQPTWMNS-UHFFFAOYSA-N 472.565 1.943 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1740951648 KFJCNAMUPKZGIC-DEOSSOPVSA-N 461.526 1.634 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1740991036 MSBQHSXSQYKVIX-CVEARBPZSA-N 461.544 1.106 30 10 JDEE C[C@H]1CCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1743116209 HFGXCRKNVMQJKG-OALUTQOASA-N 487.630 1.683 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCCS1(=O)=O 1748646829 FKQUTFUNCCUEMU-WBVHZDCISA-N 478.644 1.972 30 10 JDEE C#CCN(c1nnc(C)n1CCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 1748805039 NBNNHEKXRZKVNS-JOCHJYFZSA-N 456.616 1.031 30 10 JDEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)c(OC)n1 1748812764 FLLIIBWQJIAZBG-HRAATJIYSA-N 460.560 1.771 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1CCS(=O)(=O)CC1)[C@@H]1CCS(=O)(=O)C1 1748820043 XZNCQTSLQLYEFF-HXUWFJFHSA-N 494.614 1.460 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OCC)c1ccccc1 1748892851 XISVVVYBGAQIHH-VXKWHMMOSA-N 485.610 1.852 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCOC[C@@H]1C 1748915581 YLBIVHRKDLDLHD-SFHVURJKSA-N 460.604 1.376 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCN(C(C)=O)CC1 1748965753 VUAANUBRMJKPQP-JOCHJYFZSA-N 468.558 1.041 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)NC(C)(C)C)CC1 1749000834 AUWAKGLXIADBGP-UHFFFAOYSA-N 480.573 1.196 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(CN(C)C)c2)CC1 1749001469 SLTCGDQGRWIQJE-UHFFFAOYSA-N 465.602 1.492 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C#N)o2)CC1 1749003295 DUJYKPIGLZOGBZ-QHCPKHFHSA-N 452.515 1.409 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC[C@H](C)C2)CC1 1749015106 SERDLJJVZUMDCL-BJLQDIEVSA-N 492.646 1.013 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCC(=O)N(C)C)CC1 1749015843 PHWQDKZBCZGNRX-UHFFFAOYSA-N 485.614 1.104 30 10 JDEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1749231071 CBELGAYPFKHJRJ-KURKYZTESA-N 465.551 1.741 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1749426540 FBVLKNXLFYGUTP-LJQANCHMSA-N 464.636 1.281 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1749598238 UGLMYJCOVLLTNC-UHFFFAOYSA-N 480.573 1.397 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1749734221 GLLILGJNSMMSDS-GHTZIAJQSA-N 489.598 1.744 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1749738656 TZFNJIHSSRQBRL-LJQANCHMSA-N 451.574 1.562 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OC1CCCC1 1760175594 NERHQLLFLPTAGZ-LJQANCHMSA-N 474.587 1.445 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1760187841 YEGHCRAIIZCJEU-HMXCVIKNSA-N 490.651 1.919 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OCCC)nc1)[C@H]1CCS(=O)(=O)C1 1760190253 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C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1286589006 QHASSDCREJQUJH-UHFFFAOYSA-N 457.926 1.519 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1286602201 UXWHQLVIAONZBX-LJQANCHMSA-N 466.546 1.928 30 10 JDEE C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1286775689 APRSBXWCTRWLQC-UHFFFAOYSA-N 459.551 1.747 30 10 JDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@@]3(CCCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286793214 VLSFITOSIZVSPS-TZYHBYERSA-N 463.579 1.395 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC(=O)N(C)C[C@H]1C 1286821287 GFLLZYPSCGULGM-CQSZACIVSA-N 453.515 1.415 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(I)c(C)cc2C)CC1 1292889958 RMODIMBZFXWDSX-UHFFFAOYSA-N 453.324 1.805 30 10 JDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N1CCOCC1 1300430968 QZJQQLYIMXWTKJ-HZPDHXFCSA-N 452.606 1.093 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1300488130 BCGQYPAWDOWWQS-INIZCTEOSA-N 479.990 1.712 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300499476 SJIYHCSLGKQJOK-NRFANRHFSA-N 499.637 1.907 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](C)Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1300502406 TWEKVTNNUSKAIT-PZJWPPBQSA-N 499.637 1.915 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(OCC)CCCC2)CC1 1300711327 YEXNACXOXRDDGE-UHFFFAOYSA-N 456.591 1.829 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1300723549 VVPPKBFJVZBLKA-UHFFFAOYSA-N 484.626 1.858 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1300764558 XWOLCHKGPQKXTH-SFHVURJKSA-N 494.599 1.522 30 10 JDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1300971816 BEBGOXDEGPZIKG-UHFFFAOYSA-N 460.501 1.904 30 10 JDEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCS(=O)(=O)N(C)C)CC1 1301063648 GZZJULWDNIEAHO-UHFFFAOYSA-N 466.995 1.909 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1301481373 KVYOOYLZLVTVOG-QAPCUYQASA-N 485.520 1.332 30 10 JDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1301608856 ATHZMACPGSACJO-UHFFFAOYSA-N 468.587 1.573 30 10 JDEE C[C@H]1COCCN1CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H](C)C#N 1301967706 FUSCWFKODJTJST-OALUTQOASA-N 453.595 1.769 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1358912933 BHYZUKPEGHCZCU-FQEVSTJZSA-N 484.626 1.744 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CCOc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1358955490 MWJNNUCBKSUMKW-QGZVFWFLSA-N 480.612 1.511 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CC(=O)NCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358961291 VYOUVVLBIMBZNX-HXUWFJFHSA-N 480.594 1.269 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CC(C)C)c1C 1358994160 GKEMIVJFMHKCGZ-NRFANRHFSA-N 487.630 1.283 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1359017091 UDOBYICFAMPJDW-SIKLNZKXSA-N 462.547 1.848 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2COCCO2)CC1 1359047584 MIFOZVBTOFUWHO-FQEVSTJZSA-N 483.569 1.637 30 10 JDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359051439 WPGZZRQEAQAKIP-UHFFFAOYSA-N 482.610 1.591 30 10 JDEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1359055083 SDVGHVMDMSDEDD-INIZCTEOSA-N 465.583 1.914 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N(C)C)CC1 1359099596 QLGYAVVGIISFMF-ZVDOUQERSA-N 479.647 1.856 30 10 JDEE C=C(C)CN(CC)c1nnc(COc2ccc(OC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1359116216 CCGLVFLAXJGYOL-OAQYLSRUSA-N 450.561 1.818 30 10 JDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1359117022 XHLDNXICDJCLCI-HZPDHXFCSA-N 464.567 1.743 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1359126348 MYSFWXFDTCKBRA-UHFFFAOYSA-N 450.547 1.700 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CCOC2)CC1 1359227710 JKQOQFAOWWAGSM-UXHICEINSA-N 483.635 1.457 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1c(C)nc2ccccc21 1359240354 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475.615 1.917 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCn2cncn2)CC1 1539488483 KCMICYHQKRTFQQ-UHFFFAOYSA-N 462.558 1.731 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1540869861 YXIICMTXGUFYDK-UHFFFAOYSA-N 463.502 1.581 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1540872425 PFTYKTLEYIOIOC-FQEVSTJZSA-N 469.521 1.077 30 10 JDEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1541608043 IEIWIQQLAQJNEA-UHFFFAOYSA-N 455.563 1.364 30 10 JDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1545710744 GQTBZXOVYAFLRY-CEYNDMKZSA-N 481.601 1.393 30 10 JDEE CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1568504862 IFEHMAUTEIBUGX-RBBKRZOGSA-N 459.506 1.973 30 10 JDEE C[C@@H](CC(=O)N(Cc1ccc(C(N)=O)cc1F)C1CC1)/N=C1/NS(=O)(=O)c2ccccc21 1569793209 DHPUBDYCVSWBFP-ZDUSSCGKSA-N 458.515 1.933 30 10 JDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1587851042 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C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(C)(=O)=O)CC1 1589543938 CZDFPCLOOYMFCF-BQFCYCMXSA-N 472.633 1.175 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1593637125 XGVTYYHDNQDOHO-GOSISDBHSA-N 464.548 1.774 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1594015235 ZEPMJKAYAKNJQI-HNNXBMFYSA-N 470.596 1.338 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1595334571 AULLUMWXTJQYNL-WIYYLYMNSA-N 474.631 1.928 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1595477833 ZZQCGJLRPYAIDQ-QZTJIDSGSA-N 468.558 1.930 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1595529818 JASADGWIJBMTDL-UHFFFAOYSA-N 466.521 1.472 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1595788717 HVCVABYFTHEZCL-OALUTQOASA-N 481.619 1.385 30 10 JDEE Cc1cccc(OC[C@@H](O)CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C(C)C)c1 1644687648 FPAMGYXBOYBHFP-FQEVSTJZSA-N 455.559 1.962 30 10 JDEE CNS(=O)(=O)c1ccc(N2CCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)cc1 1654661617 HBDRRJPYSIQZEC-QFIPXVFZSA-N 453.568 1.784 30 10 JDEE CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 1659410042 IFUYYFFNCUXMLO-MLGOLLRUSA-N 455.512 1.957 30 10 JDEE CN1CCN(C(=O)C2CCN(S(=O)(=O)c3cccc(Br)c3C#N)CC2)CC1 1660755062 FNVGSBFBZSEUHW-UHFFFAOYSA-N 455.378 1.495 30 10 JDEE COc1ccc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1C(=O)N(C)C 1668498285 DVOUVBJIIDCCBV-BBRMVZONSA-N 452.533 1.434 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCC(=O)NC2CC2)c1 1689870497 PZFAHIIZUOZEKI-UHFFFAOYSA-N 460.542 1.794 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1689913792 VJAHBPQQZPAGIT-MRXNPFEDSA-N 462.551 1.403 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1689988859 XOSMMJSQQPJHNJ-MSOLQXFVSA-N 482.566 1.838 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1689998139 CMAIQPWDRXRUCG-MLNNCEHLSA-N 493.674 1.749 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CC1 1690104114 MXQNIHKFBYWRGS-QGZVFWFLSA-N 497.618 1.250 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CSCCS2)CC1 1690135059 PCLJSJVDYQNJOF-INIZCTEOSA-N 450.634 1.231 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690334348 LWIKFNLHPFKRDQ-OAQYLSRUSA-N 492.989 1.916 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)C2CC2)CC1 1690464585 GDQAHEYTIDYVBC-IBGZPJMESA-N 480.635 1.462 30 10 JDEE C=CCN(c1nnc(COc2ccc(OC)cc2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1690550499 WYOXNBWERXLRPP-UHFFFAOYSA-N 462.572 1.960 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690719001 DVKGYWSHTDXWNA-KRWDZBQOSA-N 490.586 1.119 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1690724594 SDGQSEANZWREFA-ROUUACIJSA-N 499.634 1.503 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1690742196 JQAOFOJEYIHFQM-HOJAQTOUSA-N 475.663 1.527 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)OCCc2sccc21 1692661202 CSQYNRXEKOYTJS-LDBYXDLTSA-N 494.643 1.899 30 10 JDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1695503546 BLSUIXPHWPHYQT-IBGZPJMESA-N 474.587 1.611 30 10 JDEE CO[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)C(C)C 1697143591 DWKNFEOIHPZWMX-SJLPKXTDSA-N 455.567 1.464 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2cccn2)CC1 1705516847 KAFKHYFRGJAXBN-FQEVSTJZSA-N 475.619 1.528 30 10 JDEE C#CCCCn1c(-c2ccccn2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1705529556 JJYJYEXAYYGJIS-QRQLOZEOSA-N 486.598 1.880 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccccc1OC 1705534339 FSZLYJQYRNCNQX-HXUWFJFHSA-N 461.588 1.712 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)c1ccccc1F 1705551363 MNGOIJKKCIISPI-IBGZPJMESA-N 464.567 1.346 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1705559792 BKHPZKZUBLDWPT-YADARESESA-N 498.609 1.749 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(C(=O)NCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1705569693 JHGARSPGUOFWQD-LJQANCHMSA-N 470.599 1.197 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1Cc1cn(C2COC2)nn1 1705618290 AVFIPTXPOWAGPE-UHFFFAOYSA-N 452.494 1.406 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cc(C(F)(F)F)ccn1 1705628843 QUBJEDXMNAOUAQ-OAHLLOKOSA-N 471.505 1.923 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(COC)c2)CC1 1705644321 MOGYOUYEWOLXLG-UHFFFAOYSA-N 452.559 1.577 30 10 JDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705739419 FUZCDFLMAOPBBR-NRFANRHFSA-N 470.622 1.475 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1705747617 QIMMSWFCWDKSGH-MJBXVCDLSA-N 470.987 1.145 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCN(CCN(C)C)CC2)C1 1705925503 QAUKODHVOSYIDH-LEWJYISDSA-N 480.679 1.235 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1705932999 QPGJOJWBAAEZNI-LJQANCHMSA-N 486.642 1.643 30 10 JDEE CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1706091123 HTSPBVGUTBVIHQ-FQEVSTJZSA-N 479.585 1.807 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCC(F)(F)F 1708152210 AMNQEHZIDDNIMQ-KBPBESRZSA-N 463.468 1.948 30 10 JDEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 1710265805 HYJNUKYPBZYWER-FPOVZHCZSA-N 464.618 1.935 30 10 JDEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)C(C)C 1711549995 BYVNVHJAKOHKOB-QFIPXVFZSA-N 481.601 1.469 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1722357769 AFHCQAFJHDOKIW-FQEVSTJZSA-N 499.641 1.674 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(c2ccccn2)CCC1)[C@@H]1CCS(=O)(=O)C1 1722357802 ALWDXKGBAWPCGN-GOSISDBHSA-N 470.599 1.560 30 10 JDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1722361662 ODZWFKGWZKWJJC-FQEVSTJZSA-N 481.582 1.284 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2OCC)CC1 1722438255 UPKCWCLFLHQEDQ-FQEVSTJZSA-N 457.600 1.691 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1722508580 STPICYNTTPHASV-DENIHFKCSA-N 468.606 1.707 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1722683260 JHLFFTQPTCTFOD-KRWDZBQOSA-N 468.601 1.565 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1722701119 GRAAFAZLQWVWIO-ZJSXRUAMSA-N 493.656 1.744 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722707579 SQFIISURGZLXPM-SFHVURJKSA-N 474.587 1.314 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1722729772 WURKJKOADBTJAL-LJQANCHMSA-N 455.588 1.667 30 10 JDEE COc1cccc(C(=O)NCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)c1 1730209958 FRDISWHBYZSZNF-WBVHZDCISA-N 460.560 1.357 30 10 JDEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1730275117 DKYUNUOFULPXET-MRXNPFEDSA-N 478.600 1.061 30 10 JDEE COCCN1C[C@H](Cn2c(CCCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1730778272 FMLPFLQNRXSXOC-NHCUHLMSSA-N 452.559 1.677 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CC2(O)CCS(=O)(=O)CC2)c1 1740563727 XAINMUWHDJHTJR-UHFFFAOYSA-N 471.583 1.542 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740626184 KBYWUHYDBSWTDO-SJORKVTESA-N 477.553 1.683 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2CCN(C(C)=O)CC2)CC1 1740692196 FTVBMYFRFNDVKG-DEOSSOPVSA-N 458.607 1.332 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)(F)F 1740761410 NOVCXOJXBPTJCH-JYJNAYRXSA-N 481.541 1.981 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCOC1 1740795478 WBUJXZRAWSYHJO-MSOLQXFVSA-N 457.597 1.067 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C(N)=O)C1 1740958240 LVIRWVDEQLPRLE-SJORKVTESA-N 475.594 1.397 30 10 JDEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1748808674 FUWNZBNWDZNGHY-SFHVURJKSA-N 466.567 1.645 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1748817371 JPFMFYKWHDTDKR-UYAOXDASSA-N 457.556 1.415 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1748819047 JEOIPXNNESOFTA-QRQLOZEOSA-N 463.629 1.812 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(=O)Nc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1748824062 ICLLIDQZHFIRDD-ZWKOTPCHSA-N 461.519 1.534 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1748825692 CHEVMHATTIXKBG-CVDCTZTESA-N 456.568 1.657 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1748864552 ZDNFIHHAPQWMLR-WOJBJXKFSA-N 488.614 1.326 30 10 JDEE COc1cccc([C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)N(C)C)c1 1748894235 FJQCEQVOYBAPBP-JLMWRMLUSA-N 476.578 1.934 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC[S@@](=O)CC)CC1 1749010022 ZOAUERQVQUGXIH-UMSFTDKQSA-N 479.610 1.865 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1749458305 YUOGVTIJRYYNMK-GCJKJVERSA-N 485.651 1.845 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCO2 1749599897 NSJQALYGEQTRKB-IBGZPJMESA-N 479.559 1.027 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2CCCC[C@H]2C1 1749650821 HTEQPWFUJBTRNI-IBGZPJMESA-N 471.993 1.838 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749651653 ZUGLUUZKTAINQH-QRWLVFNGSA-N 499.547 1.626 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1749668922 AUBANVZVQINRKQ-SFHVURJKSA-N 469.521 1.200 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(COCC)n2C[C@H]2CCC[C@@H]2N2CCCS2(=O)=O)C1 1749718108 BFBAYVMACBZWCL-QRVBRYPASA-N 453.609 1.800 30 10 JDEE 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453.609 1.611 30 10 JDEE CCc1nn(C)c(OC)c1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1292776790 BHVBPSMVYRNWLO-QVKFZJNVSA-N 461.592 1.663 30 10 JDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N[C@@H](C)CC)CC2)C1 1296958481 GVTIBOFNUSVPFS-SFCRKBEJSA-N 495.628 1.783 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1(O)CCOCC1 1298283267 AMIIOBPHEFTMEW-LJQANCHMSA-N 459.572 1.620 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(C(C)=O)CC1 1300391951 WGTQSLIMSUDQMN-UHFFFAOYSA-N 458.588 1.667 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300504924 WBTOTTNXIQAGQK-VAMGGRTRSA-N 463.648 1.919 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1300721855 BFBOMYCWJSVWRR-QFIPXVFZSA-N 479.629 1.971 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H]2CCCCO2)CC1 1300727465 YIQOBSZFZRUPQS-MOPGFXCFSA-N 463.604 1.105 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1300868684 GPODACVAHPUILJ-UEXGIBASSA-N 473.578 1.570 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)OC(C)(C)C)C1 1301556032 FDJBKVJMXOITAZ-JKSUJKDBSA-N 455.581 1.486 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1301568946 ZVYQHTKMACHZQQ-UHFFFAOYSA-N 492.602 1.189 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1N(C)CCCC1(C)C 1303404843 DJSKDFYJXSDJGG-ICSRJNTNSA-N 494.648 1.913 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(N(C)C)CCOCC1 1303847382 DTFRVJQGJGSKIS-LPHOPBHVSA-N 453.613 1.129 30 10 JDEE COCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(c3ccccc3C#N)CC2)CC1 1315977059 BUFDWMPATBFEDR-SFHVURJKSA-N 487.630 1.903 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCNC(=O)C2CC2)c1 1358902520 QLTGXSYYBFGSMB-LJQANCHMSA-N 450.543 1.755 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1358919513 DFXNLSZMMIWXDG-QGZVFWFLSA-N 476.578 1.793 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(C)cc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1358963352 GMYBZODHMKRGNL-VQTJNVASSA-N 490.651 1.780 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1358966880 YSSUKYCGTITGOE-IBGZPJMESA-N 474.583 1.334 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cncn1 1358994027 CCGTXSDRNASWPI-SFHVURJKSA-N 454.535 1.341 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N1CCOCC1 1359113234 CWOWICMEPDNSPQ-GOSISDBHSA-N 478.594 1.848 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2F)CC1 1359227966 QIQRMXXNOJNJON-QGZVFWFLSA-N 464.567 1.634 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCOC1 1359255102 OAOYGVQWCXPDLS-PGRDOPGGSA-N 462.572 1.533 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)CC=C)C1 1359322656 ZZGNCAYSSJXXIO-ROUUACIJSA-N 453.609 1.995 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1359328732 MTITWYJKHIXDDL-QGZVFWFLSA-N 476.603 1.236 30 10 JDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@@]3(C#N)CCC[C@H](C)C3)ccc2F)CC1 1435562338 HTDCEUYXEZSAFE-BTYIYWSLSA-N 450.536 1.881 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CCN(C(C)(C)C)C3=O)nnc12 1472582654 PKHQYWBYGAEGCJ-OAHLLOKOSA-N 454.556 1.838 30 10 JDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1504853717 ACOXFNJVLURBRQ-OAQYLSRUSA-N 451.575 1.986 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCC2CC2)C1 1507564700 VKBGSLFQSVUJAN-WOJBJXKFSA-N 465.620 1.810 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccccc2c1OC 1507615858 BXFNLYNKYHSPCU-SFHVURJKSA-N 459.528 1.484 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1507626161 NFKUBXNYGDIXGT-AEFFLSMTSA-N 477.562 1.710 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1507721362 SBGMKRNCXXHXCA-UHFFFAOYSA-N 485.654 1.938 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCN2CCOCC2)CC1 1507732781 KVWLUSXBAMAVBM-OYRHEFFESA-N 487.649 1.526 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c(C2CCC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C 1508012984 LCYOERCYODFACM-PMACEKPBSA-N 455.607 1.391 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(C)c2C1 1508132191 VTWXIBNFVWEFQF-HNNXBMFYSA-N 485.607 1.499 30 10 JDEE CC(C)(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1508584081 GZKQEJCOUXYFGB-LJQANCHMSA-N 486.646 1.741 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@H]2COCCO2)cc1 1521109862 HOVCQAXPECMEMH-IRXDYDNUSA-N 453.421 1.912 30 10 JDEE C#CCN(CC#N)C(=O)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@@H](C)CC 1524272267 SKRCBDHPVPKAQT-KBXCAEBGSA-N 452.964 1.720 30 10 JDEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539108714 CFPCLOQMXKVXIS-FQEVSTJZSA-N 464.570 1.930 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(C(F)(F)F)n1 1539178363 HHMIHUWHAIICEN-AWEZNQCLSA-N 488.492 1.173 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1539200758 NTRNXGNYUMFEET-IBGZPJMESA-N 459.547 1.523 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(NC(C)=O)nc1)[C@H]1CCS(=O)(=O)C1 1539212741 SAQDPFLOEVGNPW-SFHVURJKSA-N 468.539 1.875 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(Br)n1)[C@H]1CCS(=O)(=O)C1 1539215402 BCQHEBQQWQHASI-HNNXBMFYSA-N 488.371 1.568 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)CCCO2 1539325293 FZNVTIOIDKZLIU-JOCHJYFZSA-N 483.594 1.447 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCO[C@@H]1CCCC[C@@H]1C 1539370550 XHFDEEBHNAMSEY-OTWHNJEPSA-N 453.609 1.666 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@](C)(OC)C2CC2)CC1 1539434732 UTCRVKKHXBZOKV-DEOSSOPVSA-N 486.642 1.766 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCCS(C)(=O)=O)CC1 1539435999 FUZMMWXYHMBARZ-UHFFFAOYSA-N 450.996 1.964 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCCS(C)(=O)=O 1539641576 GDYKPVWLSDIRHS-AZUAARDMSA-N 450.609 1.992 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)(C)C)CC1 1539967773 ULJBUWUAONZUAC-SFHVURJKSA-N 454.641 1.888 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](COC)O[C@H](C)C1 1540900357 SHVNRZUIORKBNL-WBVHZDCISA-N 464.544 1.515 30 10 JDEE CC(=O)N1CCN(CCn2c(N(C)Cc3cccc(C#N)c3)nnc2[C@]2(OC(C)C)CCOC2)CC1 1541007687 YVJRLNNBRYOTTQ-SANMLTNESA-N 495.628 1.991 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)C[C@@H]1C 1555596911 CXSQMWGFMPJQES-SFHVURJKSA-N 455.563 1.410 30 10 JDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(OCC(N)=O)c1 1587969786 FUCGWSMIMIWUEO-UHFFFAOYSA-N 467.555 1.220 30 10 JDEE C=C[C@@](C)(O)CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1587993842 NCPBOKSLJKPNBG-LJQANCHMSA-N 459.952 1.085 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(=O)NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 1588046083 WYOQQJQIWWCWNQ-QGZVFWFLSA-N 483.550 1.490 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 1588054287 MYXDTSHFIYDASI-VQTJNVASSA-N 492.623 1.002 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1588968401 KYNYWIWMWZDNIT-UHFFFAOYSA-N 472.537 1.775 30 10 JDEE C#CCSCCn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1589124692 BBPSKONBYHYIAW-PXNSSMCTSA-N 471.649 1.155 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(Cl)c1 1594961859 GIPFUKOOLJDKRZ-KRWDZBQOSA-N 455.968 1.966 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(CC(=O)NC(C)C)CC1 1595488858 BDVFGHQMKLUDKZ-UHFFFAOYSA-N 490.612 1.751 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1595562292 SZRNOWRJTJXEEN-UHFFFAOYSA-N 453.572 1.932 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1595577281 NQTSUSBZJJFRNX-REWPJTCUSA-N 495.628 1.457 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(c2cccnn2)CC1 1595593731 HWIANRDHEFBHEZ-UHFFFAOYSA-N 462.558 1.838 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1595776537 BDROXRAIEHMWCH-QFIPXVFZSA-N 478.571 1.559 30 10 JDEE CCCN1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)NCC)CC2)C1 1614820388 DSAUKVOACINEEA-NRFANRHFSA-N 464.618 1.807 30 10 JDEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1643322405 DAOHVRGLVJDZBO-FRFSOERESA-N 457.474 1.982 30 10 JDEE C=CCn1c(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccccn1 1652709430 AEKZOSKQQBZOBA-UHFFFAOYSA-N 458.569 1.625 30 10 JDEE CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N1CCO[C@H](C#N)C1 1658029041 GHOGNMSADGBWTH-MRXNPFEDSA-N 451.549 1.310 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1689851601 SSYXLARFLUNKJA-WDSOQIARSA-N 461.588 1.613 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1689913823 VWTIYBQYNQFEET-SJORKVTESA-N 452.625 1.679 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1689979518 CPHOGQUUIKYEOD-JYJNAYRXSA-N 489.689 1.047 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1689984831 WDCOXGVZKOISKU-SFHVURJKSA-N 487.582 1.115 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1cccc2c1OCCCO2)[C@@H]1CCS(=O)(=O)C1 1689995814 AOZNPGPGANYXAY-GOSISDBHSA-N 460.556 1.651 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@@H](c1ccc(C)o1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689996919 RFKFREBVJYHPKK-PMACEKPBSA-N 491.614 1.416 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)N1CCN(CC)CC1 1690100798 CIQYAWIIEJWAOA-IBGZPJMESA-N 478.601 1.706 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCCN(C)S(=O)(=O)CC)CC1 1690129087 PAOXKBUNZPUHLW-UHFFFAOYSA-N 458.632 1.604 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(OC)CCC(C)CC2)CC1 1690134754 DMHPGRXLRDSANL-UHFFFAOYSA-N 458.607 1.977 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC1CCCCC1 1690266030 YMHMDDDHTWYUHM-GOSISDBHSA-N 468.624 1.462 30 10 JDEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690276277 UGBAIDDGDWTIOQ-MRXNPFEDSA-N 481.648 1.641 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1690655403 SFFJTYWYFSZUIT-UHFFFAOYSA-N 457.579 1.045 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC2(O)CCS(=O)(=O)CC2)c1 1705507515 DTYDWTHTYMTDFI-LJQANCHMSA-N 487.582 1.126 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705526953 SIIGNQIPMVABIG-UHFFFAOYSA-N 499.597 1.129 30 10 JDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(OCC(N)=O)CC1 1705531834 XTVOIIVALQMQJE-UHFFFAOYSA-N 459.576 1.122 30 10 JDEE C#CCN(c1nnc(C)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705561230 OHZHOFLOLZPKJH-YDZRNGNQSA-N 479.603 1.238 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN1CCOCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705562347 AJWRLUZXDMNQCR-GOSISDBHSA-N 493.033 1.731 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705563938 IAZNKPUAIKUODK-LJQANCHMSA-N 459.572 1.410 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1705567234 UWBYYBKKAUWMQK-UYAOXDASSA-N 492.623 1.598 30 10 JDEE 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C=CCc1ccccc1O[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 59386184 MDZBPKCRHCGXPD-MFKCLSPESA-N 464.467 1.877 30 10 JDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3cccc(N4CCCC4=O)c3)n[nH]2)cn1 59887250 NGFQQKLJUGBMJE-SSDVNMTOSA-N 483.558 1.951 30 10 JDEE C=CCN(CC=C)C(=O)Cn1c(=CC(=O)OCC)sc(=Cc2cc(OC)cc(OC)c2)c1=O 254393003 ONUIDBFWTPJXGY-UHFFFAOYSA-N 472.563 1.300 30 10 JDEE CSCC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1nnc2ccccn12 1135785805 FZXJVOYTSUGMKR-WMLDXEAASA-N 458.569 1.878 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC1CC1 1286293892 AFWLXIYSZHCLSO-DYESRHJHSA-N 473.599 1.906 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2cnn(CCOC)c2)c1 1286311576 NYRVXCOCORBSHL-FQEVSTJZSA-N 463.542 1.729 30 10 JDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCCS(C)(=O)=O 1286348308 IYQVNKVGIXJSNN-UHFFFAOYSA-N 456.572 1.959 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1286376921 QAPNDUIMSZVEFE-JOCHJYFZSA-N 497.625 1.590 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1286389618 NMYXFLVVHKXPSN-UWVAXJGDSA-N 487.582 1.332 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CCc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1286390995 FYEUOIFQWVHQQV-FQEVSTJZSA-N 455.584 1.460 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1286394540 OSQFZNIUUHDHHJ-HZPDHXFCSA-N 450.590 1.201 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)N2CCSCC2)C1 1286810919 XTHNLYQTBCNTCX-ZWKOTPCHSA-N 471.649 1.332 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc2c(c1)OCO2 1286959057 DHJRRTSKTZTIEE-UONOGXRCSA-N 450.521 1.292 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1297776524 ABBZRZJMINLHSL-KRWDZBQOSA-N 474.587 1.530 30 10 JDEE C#CCN(c1nnc(C(C)C)n1C[C@H](Cc1ccc(F)cc1)C(N)=O)[C@@H]1CCS(=O)(=O)C1 1300484178 OZMUFBQPKAFAJA-PKOBYXMFSA-N 461.563 1.512 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1300504095 JTAXERVMXXCRRC-INIZCTEOSA-N 473.534 1.292 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(F)cc1 1300537153 AOUGYDMYXYKVME-HXUWFJFHSA-N 473.574 1.801 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccs1)N(C)C 1300631316 PQDURMDVQISCTB-DLBZAZTESA-N 466.633 1.435 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(OC)cc2)CC1 1300710752 KBMXLBNQUXYTCY-UHFFFAOYSA-N 464.570 1.731 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1300897116 OCLCUVLKLIZNCX-LQBOVUBWSA-N 468.620 1.925 30 10 JDEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(N)=O)C1)c1ccccc1 1301164943 YELWUICQMILMRZ-BHIYHBOVSA-N 460.604 1.950 30 10 JDEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1301241943 ZQITXSXSAJYQBW-UHFFFAOYSA-N 479.585 1.390 30 10 JDEE C=CCCOCCn1c(CC2CC2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1301259078 CTGHAVVDJJGWHG-GUDVDZBRSA-N 495.646 1.950 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1301483142 IDZKXFMSIUXPPG-NRFANRHFSA-N 481.525 1.864 30 10 JDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1301531640 RXNNCBHEPMGTKW-SFHVURJKSA-N 459.572 1.637 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1301576120 SQLDAVWSKSTIGW-APWZRJJASA-N 497.643 1.003 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1301586767 JESNVEHNXSJNCZ-UHFFFAOYSA-N 489.671 1.868 30 10 JDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1301617894 LEEBONZMRWURPU-QGZVFWFLSA-N 472.619 1.717 30 10 JDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1303065338 BXCZOQDUOSHMHH-DLBZAZTESA-N 451.597 1.277 30 10 JDEE CCCN1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](CNC(C)=O)C2)C1 1307037937 GXHPXNMLCYKUSZ-RBBKRZOGSA-N 451.575 1.890 30 10 JDEE CCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1314230809 AFNCMNZFBGNOMD-UHFFFAOYSA-N 474.569 1.869 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1358913609 SDKPZYRFXVHPIT-QZTJIDSGSA-N 473.603 1.381 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(c2ccccc2OC)C1 1358949189 VHQCBUXACGQQSE-RXVVDRJESA-N 488.614 1.216 30 10 JDEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1CCS(=O)(=O)N1CCSCC1 1358982220 OGHUIKGVRMACSG-UHFFFAOYSA-N 473.624 1.617 30 10 JDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCS(=O)(=O)C1 1359002192 QUYONGHTSLOSDV-MRXNPFEDSA-N 464.617 1.441 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCN(C)CCOC)CC1 1359033165 ROGZQVCTQGBRRR-UHFFFAOYSA-N 454.575 1.440 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1359043412 SSZRAIKVVOKFDA-HXUWFJFHSA-N 487.555 1.662 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2)CC1 1359057991 PHNPMGAIFZNTSY-FQEVSTJZSA-N 490.655 1.304 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1359228220 WZZVZGCIJNPZAW-IEBWSBKVSA-N 464.592 1.567 30 10 JDEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(C)CN(C)C1=O 1359280872 HKQDMERXASSZHZ-OAQYLSRUSA-N 461.592 1.355 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1359314982 LWDSSSUPZGAGIK-CEXWTWQISA-N 462.572 1.670 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)NCC)CC1 1359332690 DOPIEQGMTWCJEM-LJQANCHMSA-N 490.586 1.243 30 10 JDEE CC(C)OCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)CC1 1360409235 AQNOAXBWLMTIKE-UHFFFAOYSA-N 477.573 1.517 30 10 JDEE CCOc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1472554646 CJQAXEPQZNGVMW-FQEVSTJZSA-N 456.524 1.153 30 10 JDEE CCN1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccccc3C#N)CC2)CC1 1502309275 AXBSYBDWLXWCNX-OAQYLSRUSA-N 493.660 1.641 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1507574331 MWQCLPKHJLFJNK-JKSUJKDBSA-N 464.596 1.130 30 10 JDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCCn1cnnn1)[C@H]1CCS(=O)(=O)C1 1507624417 ABMXEWNKFCBRNT-PMACEKPBSA-N 468.587 1.524 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1507630621 DIEVQEJPALYWIM-MRXNPFEDSA-N 455.544 1.463 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1507635298 RLDRERKKEBAQAF-PGRDOPGGSA-N 471.608 1.860 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507637501 BHKPVFVLWMEKEI-RBUKOAKNSA-N 490.655 1.392 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1507712777 OZOCCSCBJLYFMP-QFIPXVFZSA-N 466.586 1.320 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCN(C(C)=O)C2)n1 1507716090 GRHOSZOOWYCDIK-VXKWHMMOSA-N 483.617 1.913 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCCN2c2cnn(C)c2)CC1 1507718508 DTHDTRVMOYRFGZ-WOJBJXKFSA-N 456.595 1.160 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)C(=O)OC(C)(C)C 1507766344 ZMHLZUQYCKQLCG-MGPUTAFESA-N 454.597 1.747 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1508086117 XWVDTGHTIHNZLN-NRFANRHFSA-N 481.626 1.792 30 10 JDEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)N2CCOCC2)CC1 1508632130 AXPWPDLFCBCOPB-QHCPKHFHSA-N 491.568 1.693 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCCCO2)n1CCC(=O)N(C)C 1512363985 AJYLKVOYJVMEHR-WMZOPIPTSA-N 453.551 1.375 30 10 JDEE COCC(C)(C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1518673870 DYKPCOCVSCSCBS-OXQOHEQNSA-N 472.587 1.506 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1539094509 QRQYHECQMQDNKZ-UFYCRDLUSA-N 493.678 1.119 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1539203567 SDUGIYKXDNAHGT-HOTGVXAUSA-N 473.546 1.247 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(F)cccc1SC)[C@H]1CCS(=O)(=O)C1 1539221432 OKUZKWJLXXMPGI-YOEHRIQHSA-N 477.587 1.765 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCOc2ccc(OC)cc2)CC1 1539476612 CCAKJWJBQHULGS-UHFFFAOYSA-N 463.542 1.732 30 10 JDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1539900196 JAJKXVWGSGFLLE-UHFFFAOYSA-N 491.618 1.756 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1540005311 KGDCEXXOCYSXJJ-DLBZAZTESA-N 456.576 1.523 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1540854779 CSJMEVBWPJNFFI-HKUYNNGSSA-N 490.630 1.749 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1540867012 HVDDJHCZGYUBGE-WIYYLYMNSA-N 484.601 1.812 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@@H](COC)C1 1540871171 FZUPFHVGTDXCCW-KSZLIROESA-N 494.593 1.129 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCS(=O)(=O)NC)C1 1540886526 FHXKBNOYCJEARC-HNNXBMFYSA-N 455.968 1.938 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1540901011 PXQOITMTCSEHLK-VGSWGCGISA-N 462.572 1.939 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCCN(CC(F)(F)F)CC1 1540901426 DALJJHDIPKATCY-UHFFFAOYSA-N 461.514 1.354 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(CC(N)=O)CC1 1540905145 QJHZDHFWGZSYLY-IBGZPJMESA-N 475.571 1.483 30 10 JDEE CN(Cc1ccccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1554178874 GAZPGJRWUYZUDN-QFIPXVFZSA-N 468.539 1.310 30 10 JDEE CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)c2ccc(Br)cc2C#N)c1 1585571553 BGBODLLYWTYLJG-UHFFFAOYSA-N 451.302 1.597 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CC(=O)Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1588065324 WVVNHZKOYCGXNY-HXUWFJFHSA-N 482.541 1.668 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1595772974 KYUSRNIDCZEUBV-FQEVSTJZSA-N 461.588 1.450 30 10 JDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOCC2(C)C)C1 1618582036 AYGWJPGPIMDUNF-DEOSSOPVSA-N 451.575 1.890 30 10 JDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)OC 1619596273 GSKMFRSEYIXMSG-SJORKVTESA-N 466.464 1.983 30 10 JDEE C#CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)C(=O)OC 1626187870 KPAJBFGELCQEIM-CJNGLKHVSA-N 457.346 1.531 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2F)CC1 1639425081 IWNBWLJHGYVSCF-QGZVFWFLSA-N 455.577 1.214 30 10 JDEE CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1 1653261973 BHIZWSSCULDUCQ-NRFANRHFSA-N 459.547 1.897 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(F)(F)F)C1 1689892678 LACTUEKIFZMRQB-GJZGRUSLSA-N 465.498 1.182 30 10 JDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CCN(C(C)C)CC1 1689964310 KRWPMIVJGZTTHI-UHFFFAOYSA-N 452.607 1.757 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1689998866 ZJPVVPHWXXTACU-JBACZVJFSA-N 479.647 1.503 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCCn2cc(Br)cn2)CC1 1690110378 JXMNVCPNPQSGDT-UHFFFAOYSA-N 477.411 1.611 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC)cc2F)CC1 1690144385 XIBJJULIXJTVTN-IBGZPJMESA-N 454.506 1.391 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCN2CCCC2)CC1 1690152544 OXQZXVWOZSPPDG-UHFFFAOYSA-N 483.642 1.721 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1690265716 SVARKKDDDCMSCX-ZCNNSNEGSA-N 498.694 1.901 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(Br)o1 1690644604 WRNYSLDJCPZKIJ-ZDUSSCGKSA-N 460.354 1.789 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1690661110 VAHAHKSRIQXOEQ-SOLBZPMBSA-N 462.576 1.157 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2Cl)CC1 1690728938 BPXDFNXNKDIUCO-UHFFFAOYSA-N 493.033 1.981 30 10 JDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)N1CCOCC1 1693744944 DTDOTRNLWUICGD-SFHVURJKSA-N 467.574 1.506 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1cccc(C)c1 1705494683 DLOPTRMAPFSKMC-CMKODMSKSA-N 461.588 1.845 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2CCCS(=O)(=O)C2)c1 1705505474 NYTSJPOVQHGBMB-GOSISDBHSA-N 479.566 1.616 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705560318 JRPWBEYGJPNFDG-YDZRNGNQSA-N 454.593 1.301 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1705569933 LKEPSABMWWVNLM-FQEVSTJZSA-N 466.567 1.121 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCN1CCOCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705570294 OCYHZWOUPYRNCO-HXUWFJFHSA-N 472.615 1.001 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1705588805 FGMOJUROCXHOKP-RTBURBONSA-N 460.604 1.083 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCOCC1 1705620548 XBGDIAJXQAEIKE-QUCCMNQESA-N 475.590 1.680 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(N(C)C)CCOCC2)CC1 1705651172 MODJYROFWPTVTO-UHFFFAOYSA-N 482.633 1.216 30 10 JDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705794323 CRNJJMJJDOBHCW-UHFFFAOYSA-N 457.623 1.747 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)COCCO1 1705868165 DKGOBCWKTCKWPX-GHTZIAJQSA-N 497.643 1.671 30 10 JDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1705886743 FGFSNJOFEDAMFG-AWEZNQCLSA-N 450.540 1.743 30 10 JDEE CC(C)OCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1706710316 HPYQAGCHRGCPDY-YADARESESA-N 454.575 1.904 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)N1CCN(CC)CC1 1722296578 RYUIKTLATSKJLQ-RTWAWAEBSA-N 465.650 1.936 30 10 JDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1722315872 VHIJBAXXGXGTJJ-RBUKOAKNSA-N 462.620 1.864 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(CS(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1722360296 SPFOGHJBTZPKRO-SFHVURJKSA-N 492.623 1.405 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)n1 1722427055 DTKBXJKTWTYKRI-CLOONOSVSA-N 475.553 1.839 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H](C)N2CCOCC2)CC1 1722433504 XKXUMEIZLRKSDT-LJQANCHMSA-N 484.601 1.447 30 10 JDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722481189 WOJMASOQXMYUJI-INIZCTEOSA-N 499.410 1.182 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722510045 RLGPEZLHAARIAO-FPOVZHCZSA-N 458.607 1.729 30 10 JDEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722519005 AQBASVXWUCMHHC-KRWDZBQOSA-N 483.964 1.970 30 10 JDEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1722737568 KWOXKGKKFQRDIY-UHFFFAOYSA-N 463.589 1.832 30 10 JDEE CCN1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1728586024 GRRNJXNRBGZACO-NRFANRHFSA-N 451.575 1.986 30 10 JDEE CCO[C@]1(c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CC(=O)NC(C)C)CCOC1 1728814232 FYJGNKJDACDURB-HSZRJFAPSA-N 468.562 1.048 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC1 1730749638 DCVUFBJOALBMAE-VQTJNVASSA-N 459.572 1.741 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2occc2C)c1 1740562205 MGCFRBHPNPTSNC-MRXNPFEDSA-N 470.555 1.894 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1740592452 XYXDJXSFANXPLF-HXUWFJFHSA-N 487.626 1.933 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCCS1(=O)=O 1740602419 LXKMAORUTKIHDS-GOSISDBHSA-N 465.601 1.232 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCS(=O)(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1740625528 OJYCYZGTHHMULE-HXUWFJFHSA-N 493.655 1.132 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740627274 ZOCQNYMPWGBBGF-JOCHJYFZSA-N 489.617 1.747 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1740627530 IDWBYVLPONKCMC-LJQANCHMSA-N 454.556 1.574 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CCS(=O)(=O)C1 1740630131 FYFBQAJOYDIAHP-IBGZPJMESA-N 481.347 1.469 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740680764 NEFSKDURSCSQRZ-AWEZNQCLSA-N 485.408 1.403 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1ccn(C)n1 1740684390 PNLULOWRJUYNPD-UHFFFAOYSA-N 460.542 1.737 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOc2cc(C)cc(C)c2)CC1 1740690963 RBOTWZDHZLJHGI-LJQANCHMSA-N 460.604 1.339 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCCC[C@@H]2C)CC1 1740695740 BYVNALLQHUSJMR-SFTDATJTSA-N 462.664 1.590 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(C)(C)O)CC1 1740702957 BUMOROFHCLIUTE-UHFFFAOYSA-N 487.630 1.283 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCC(=O)N2)CC1 1740706896 HORKHLSNYGBIFS-LJQANCHMSA-N 454.962 1.767 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(F)cccc2OC)CC1 1740708831 CNUCOJAGRDRJAR-MRXNPFEDSA-N 496.634 1.729 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1740710341 XRSSMPWBGHWGLV-VQIMIIECSA-N 479.628 1.841 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCCC)CC1 1740717523 VAGQAGJLEADXQS-RTBURBONSA-N 485.676 1.763 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCNC(=O)[C@H]1CC 1740988480 GGQMJNROZDTXCX-MRXNPFEDSA-N 463.560 1.278 30 10 JDEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1741296839 CQDNPEYAXCTEFQ-UHFFFAOYSA-N 494.600 1.885 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCCCC1 1748671508 JWBTYRLYPQKFSG-MSOLQXFVSA-N 452.625 1.333 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CCCN1c1cc(NC)ncn1)[C@@H]1CCS(=O)(=O)C1 1748804460 IBISZHRFSIURBF-GUDVDZBRSA-N 486.646 1.919 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1748820640 GNGWLAFRYYZVOJ-IBGZPJMESA-N 485.566 1.975 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Sc1ccccc1 1748860160 XHLJDWUMHZPVEU-ICSRJNTNSA-N 473.624 1.865 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1748886815 MKSVDCBQXNRHCC-GOSISDBHSA-N 478.578 1.622 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1S(=O)(=O)N(C)C 1748959519 VSOGZCICCCRBQO-UHFFFAOYSA-N 457.560 1.063 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1749009567 KMDZKURAGSUHQT-CTNGQTDRSA-N 456.591 1.396 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1749015491 XNWMNUZJOQSPPM-KRWDZBQOSA-N 464.636 1.114 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1749020074 KIRKUPOLXDLEEN-OAQYLSRUSA-N 482.560 1.593 30 10 JDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1749456655 JOWMALYKDFIBQR-ACRUOGEOSA-N 487.649 1.448 30 10 JDEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)NCC)CC1 1749456691 KFILUVIVKVSQJV-UHFFFAOYSA-N 483.621 1.896 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(CC(=O)NC)CC1 1749652862 VBZOQZPJKMZARE-UHFFFAOYSA-N 478.395 1.701 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1749655973 VYLOZOLYXCCNQG-RUYXUALKSA-N 458.588 1.732 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCNS(C)(=O)=O)C1 1749712162 FSMXOSNLCJVALI-APWZRJJASA-N 463.560 1.511 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(CS(C)(=O)=O)c2)C1 1749718091 SWXZSMDYOZVOBH-HXUWFJFHSA-N 473.599 1.775 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1749721564 NVBRAFLXHHJANH-FQEVSTJZSA-N 480.679 1.917 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1749731409 CTZCCQBFLBQXAH-MRXNPFEDSA-N 482.513 1.183 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(F)F)CC1 1749738849 YYRHBAIMTGFPCI-UHFFFAOYSA-N 457.551 1.128 30 10 JDEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@@H]1C)N1CCOCC1 1750587136 GQNAUGZTKGLQSS-GHTZIAJQSA-N 451.575 1.840 30 10 JDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CCCS(=O)(=O)C1 1750647200 HLRAVFOTIPXTTD-SJORKVTESA-N 458.592 1.603 30 10 JDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C[C@@H](C(F)(F)F)O1 1752317842 CBARCAHZKOQMMN-YOEHRIQHSA-N 464.448 1.832 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760179310 DHZAIOQMCNENAL-SJORKVTESA-N 466.608 1.701 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1760182631 HIIIHNRYBAYQIN-UGKGYDQZSA-N 455.540 1.249 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1760183172 NCXCLKTYEGIARJ-OAQYLSRUSA-N 480.594 1.846 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCOC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1760185296 VAHWYWOAIWXZKC-NRFANRHFSA-N 482.610 1.554 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1760192520 VGZREXIQMLXNQN-KNQAVFIVSA-N 488.639 1.736 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)NC(C)C 1760227112 VLMMCUYVNZTGID-UHFFFAOYSA-N 453.590 1.136 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC2(S(C)(=O)=O)CC2)CC1 1760268122 MLRVRHULFIWMRQ-UHFFFAOYSA-N 455.584 1.797 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1760270536 YWDYBWAXBTUIDT-JTHBVZDNSA-N 485.677 1.412 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)NCC)CC1 1760285218 YXMWYXRSJVASJR-UHFFFAOYSA-N 461.617 1.488 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCOC[C@H]2C)CC1 1760401960 GNNYSVRHUMQNDF-NEWSRXKRSA-N 453.609 1.686 30 10 JDEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760493161 VBJYFLGFVXVGKI-QFIPXVFZSA-N 454.556 1.859 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccc(O)c2)CC1 1760514897 NYPJUAWWAXHEEX-UHFFFAOYSA-N 462.514 1.260 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1760522001 JXFIKLYCLKXXPP-KRWDZBQOSA-N 458.950 1.586 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCN1CCOC(C)(C)C1 1760525925 WYNLUNQZLTWDAC-UHFFFAOYSA-N 466.590 1.366 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@H](COC)C1 1760552735 ZEMXAJNGQOTJEG-KRWDZBQOSA-N 459.572 1.889 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC1([S@](C)=O)CC1 1761472621 DQBMTDUSGWXWJQ-QLCIJSRNSA-N 476.628 1.840 30 10 JDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCCN(CC)S(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1764764815 FNSTWBWCTKOWSZ-LJQANCHMSA-N 494.643 1.502 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)n2CC(=O)NCC(F)(F)F)cc1 1770732655 GSPNZUOBQGIVAC-KRWDZBQOSA-N 491.474 1.323 30 10 JDEE CS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1771357043 DTJSKHICBJXKEC-HXUWFJFHSA-N 452.540 1.758 30 10 JDEE CC(C)(C)[C@H](NC(=O)c1ccc(N)c(Cl)c1)C(=O)NC(=O)[C@@H]1CCCN1[C@H](C=O)CC(=O)O 1776009633 UKESAKWNEORFKJ-QANKJYHBSA-N 480.949 1.216 30 10 JDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862633271 IZNROCWLNFVFHH-LJQANCHMSA-N 469.406 1.744 30 10 JDEE CCCCCCCCC(=O)Nc1nc(N2CCN(C(C)=O)CC2)nn1[C@H]1CCS(=O)(=O)C1 1869947268 XMOAXLNDJUFKLH-SFHVURJKSA-N 468.624 1.995 30 10 JDEE C#CCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CN2CCC(C(N)=O)CC2)cc1=O 1870561245 FJWWINKGSQOZFG-JOCHJYFZSA-N 452.555 1.566 30 10 JDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2cc(Br)ccc2O)CC1=O 1874338734 WQEPQIYVFDEDSD-UKLDMWCTSA-N 481.376 1.930 30 10 JDEE C=CCOc1ccccc1OCc1nnc2sc(CCCNC(=O)C3=NNC(=O)CC3)nn12 1874803947 MHZRQOQQQHHGER-UHFFFAOYSA-N 469.527 1.644 30 10 JDEE CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1890602055 CLBLZVIBQGYFIR-UHFFFAOYSA-N 476.643 1.245 30 10 JDEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CC(CN3C(=O)CCC3=O)C2)[C@@H]1c1ccc(C#N)cc1 1892096214 XLMJBQSSKXUQSD-FCHUYYIVSA-N 454.552 1.559 30 10 JDEE CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@H]([C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C2(C)C 2112817471 LIENCHBZNNMNKG-WGGGBPLMSA-N 499.534 1.097 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@@H]2NC(=O)OCc2ccccc2)n1 2247838061 CBRCBBVKLBQUEH-MSOLQXFVSA-N 454.336 1.907 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1COCC[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256636411 MIMGOUJCRPYTQP-RYUDHWBXSA-N 454.358 1.128 30 10 JDEE CC(C)(C)OC(=O)NC(CO)(CO)CNC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2258303069 GUFGWGKCOVYFDQ-UHFFFAOYSA-N 456.370 1.025 30 10 JDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C1 2267408792 KNQRUKPLNAVFJD-UHFFFAOYSA-N 450.316 1.837 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](F)C[C@@H]2CNC(=O)OC(C)(C)C)n1 2267540598 TWMNKMPRMFEQFW-CHWSQXEVSA-N 453.324 1.192 30 10 JDEE C[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268655394 LCPAYWLTRRFWEN-IPYPFGDCSA-N 467.397 1.990 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2281977542 QYLIUQIAIDIKGZ-GXTWGEPZSA-N 464.328 1.291 30 10 JDEE Cc1nc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282507171 CSDFMUFQNCCKMG-QGZVFWFLSA-N 474.436 1.923 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282534654 VZMYMUQGZDUVAU-UHFFFAOYSA-N 465.331 1.622 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](OCCNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282685695 JDOLVSXXMCWXNF-HNNXBMFYSA-N 462.356 1.532 30 10 JDEE COc1cc(OC)c(OC)cc1C=Nn1c(SCC(N)=O)nnc1[C@H]1CC(=O)N(C(C)(C)C)C1 2327840255 CFAPQHXNGIGWTK-AWEZNQCLSA-N 490.586 1.878 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCO)CCCNC(=O)OC(C)(C)C 2337289355 IKBBAHQSQSIISM-UHFFFAOYSA-N 452.361 1.069 30 10 JDEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337401911 QGSCHQKVQORGIR-OAQYLSRUSA-N 467.397 1.934 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 2359271682 VQTUOSWVHIXGDO-KKUMJFAQSA-N 461.372 1.347 30 10 JDEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccncc2)c1C 103224947 QTXUPGAUWICEAY-NNWMPZTLSA-N 482.537 1.957 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1-c1ccccc1C#N 604002721 WAZHFERIBWQAAW-UHFFFAOYSA-N 472.526 1.593 30 10 JDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c(=O)n1-c1cnn(CC)c1 726180408 ILYICNNRODUVDN-UHFFFAOYSA-N 486.941 1.706 30 10 JDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1)[C@@H]1CCS(=O)(=O)C1 729332026 JLLYPGIYAKQEID-GDBMZVCRSA-N 453.358 1.759 30 10 JDEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)cc1O 1084136729 JRUACVXZPBPOFB-UHFFFAOYSA-N 471.499 1.654 30 10 JDEE C#CCN(C(=O)NCC1(COC)CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1228192688 XVIKRRYSUCVNSK-QGZVFWFLSA-N 457.593 1.482 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1286314869 SKSBHTRDWOXNRK-AWEZNQCLSA-N 480.620 1.398 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1286322774 GOUJLBJHLMPUEH-IBGZPJMESA-N 460.604 1.911 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1286379932 FAQNVGKFJBVMMG-HXUWFJFHSA-N 473.599 1.364 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1CCC(F)(F)CC1)[C@@H]1CCS(=O)(=O)C1 1286383512 XCGWSBHZVRVBMC-MRXNPFEDSA-N 457.547 1.869 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1286383803 ZLQGUNRXSBUESE-MRXNPFEDSA-N 462.963 1.238 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286393301 JUQJHMJQQHCZDR-UYAOXDASSA-N 475.590 1.355 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1)[C@H]1CCS(=O)(=O)C1 1286394774 PLRJKHAGLZBERI-QIJUGHKUSA-N 499.637 1.985 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(N(C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286396941 ZAJSYTDQJYOHGL-HXUWFJFHSA-N 472.615 1.001 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1286398300 WYXRXJXYABXYAZ-SJORKVTESA-N 464.519 1.038 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(Cl)cc1 1286409523 NLNOAIKWQFXAIK-LJQANCHMSA-N 477.974 1.416 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCc2ccccc2C1 1286410101 SDKVHTHAOPFHOL-DENIHFKCSA-N 451.596 1.700 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC[C@H](O)C2)CC1 1286473562 PVBMPPGNHYVFMT-ICSRJNTNSA-N 457.600 1.655 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CCC(C)CC2)CC1 1286487295 UFZCBYCGZFEMLE-UHFFFAOYSA-N 471.650 1.894 30 10 JDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1286675180 MIUYTQWKIKZOKB-UHFFFAOYSA-N 499.660 1.943 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2CCS(=O)(=O)CC2)C1 1286797879 DCJRQPQAXAORAS-GOSISDBHSA-N 453.609 1.803 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN(c2ncccn2)CC1 1286821435 KYBSBVSVTXCZNY-UHFFFAOYSA-N 483.598 1.595 30 10 JDEE C#CCCCCC(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1290560863 SICOAKWDVQKRQY-UHFFFAOYSA-N 455.964 1.951 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 1295458800 XZFUAWPEDGWRBT-NRFANRHFSA-N 455.536 1.217 30 10 JDEE COc1cc(C)cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)c1 1299828540 HWGCLJUJVLUITA-QFBILLFUSA-N 462.576 1.572 30 10 JDEE COc1cc2c(cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1)O[C@H](C)C2 1299962701 FMMSLBWLEGQAAN-HKZYLEAXSA-N 478.550 1.711 30 10 JDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)OC)CC1 1300358589 ZNEHKQSLMBTQTA-UHFFFAOYSA-N 459.576 1.930 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1300483476 LSHFGGKCZFPRFP-UWJYYQICSA-N 462.597 1.448 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1300577749 AKEVVBJKPKXXML-JOCHJYFZSA-N 495.653 1.228 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(C)c1 1300578121 HUUYOHFUXHZSEX-IRLDBZIGSA-N 485.610 1.850 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CC1(O)CCS(=O)(=O)CC1 1300657506 MNMGZOBAYGCKHM-UHFFFAOYSA-N 497.415 1.733 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccon1 1300885309 OQHHTIDOZMLAKR-NJAFHUGGSA-N 466.564 1.217 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1300952122 MDPLKGMIWRADFB-KRWDZBQOSA-N 484.529 1.540 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@](O)(c3ccc(C)cc3)C2)nnc1[C@@]1(OCC)CCOC1 1301518464 HGYOOPUDEVEKGR-DNQXCXABSA-N 455.559 1.639 30 10 JDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCCN(c2ncccc2F)CC1 1301593109 IPOXGWANFTUDIE-UHFFFAOYSA-N 452.556 1.666 30 10 JDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1303012585 FLPPPYBNILVKDC-SJORKVTESA-N 490.552 1.573 30 10 JDEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1CC(=O)NCC1CC1 1304057853 FBRGPWNYGQIEFP-CQSZACIVSA-N 458.592 1.669 30 10 JDEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCCC1 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C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359098282 ZLDBQGIZWIMRHJ-WDYCEAGBSA-N 466.608 1.071 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCCCC2)CC1 1359122105 XWCMKKUGGWWWKF-LJQANCHMSA-N 452.625 1.642 30 10 JDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359293424 PMXBLKAMXSFXNG-OAQYLSRUSA-N 493.612 1.393 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359294160 MCXCNDMEYYJPQV-GCJKJVERSA-N 481.601 1.245 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C(F)(F)F)C1 1359303864 CZUGWAZBBXLNGG-ZDUSSCGKSA-N 458.466 1.339 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1359304511 ZMUWWXABJRRIFW-WCJKSRRJSA-N 474.587 1.345 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1359327207 VKENHNGFCYMRKU-HSZRJFAPSA-N 488.614 1.710 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1359466408 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1540874362 DCEZXTVFMZVLTD-INIZCTEOSA-N 487.630 1.703 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1540902527 LKCHWBGMPIAICX-RDTXWAMCSA-N 466.526 1.913 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CCOC2)CC1 1540905668 VITHZVGRMKLAKD-ROUUACIJSA-N 472.633 1.034 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C1 1540937510 CSUUNSLHCSKJHB-IBGZPJMESA-N 474.587 1.183 30 10 JDEE CC(C)(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1541138599 BHAOTTLKULOOFQ-SFHVURJKSA-N 474.587 1.514 30 10 JDEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1)N1CCCC1 1545966325 BUNDZEUCJOPZAE-OAQYLSRUSA-N 451.575 1.986 30 10 JDEE CNC(=O)[C@@H]1CN(C(=O)CN2CCCC2=O)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375647 UAOZPETVLBJFAV-IBGZPJMESA-N 491.514 1.990 30 10 JDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1554542100 AEVPSLLKCWFARQ-ZWKOTPCHSA-N 488.570 1.152 30 10 JDEE COc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1555070149 ARNMAKOZRHTIDA-OAQYLSRUSA-N 494.618 1.698 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)N3CCC[C@@H](CO)C3)c2)cc1 1556064119 WSMLMAALFXUBQH-QGZVFWFLSA-N 455.536 1.695 30 10 JDEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(NCC(=O)NCc3nc(C)no3)C[C@@H]1C)C2=O 1565538749 NPBOBBJYWKGXDS-MLMJSJRWSA-N 490.900 1.761 30 10 JDEE CCOC(=O)C(F)(F)[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 1583404216 HTLZCCLOOMVAFG-KRWDZBQOSA-N 451.451 1.781 30 10 JDEE C#CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)cc1 1587714595 VNKVDZHWDGOLFJ-UHFFFAOYSA-N 457.552 1.716 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCNS(=O)(=O)CC 1588113947 WOAZDTPGBBBLJC-UHFFFAOYSA-N 480.388 1.728 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCO[C@H]1C 1588471974 BASRIINUUSJMHF-QYWGDWMGSA-N 465.551 1.207 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N(C)C 1588646465 KQKPLEUEZPQJEB-MSOLQXFVSA-N 450.584 1.623 30 10 JDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@]2(O)CCN(C)C2)CC1 1588876845 LCDOEVOOHSQMLP-QHCPKHFHSA-N 456.616 1.401 30 10 JDEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1589117303 XFMSYENWKASFTH-UHFFFAOYSA-N 470.020 1.959 30 10 JDEE CC(=O)Nc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cc1 1596311440 GFXGNSDFLZAWBM-UZLBHIALSA-N 489.602 1.408 30 10 JDEE CCc1nn(C)c(OC)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1613897403 BMVXHRIRGXFJHO-VBKZILBWSA-N 464.596 1.371 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(S(=O)(=O)CCO)cc2C)s1 1635367431 MQQCEYCPPSHGTC-UHFFFAOYSA-N 458.583 1.468 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1csc(C(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1689978113 MTCPZNRVKMIHIY-QGZVFWFLSA-N 478.644 1.866 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCNC(=O)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1689989830 JBXQHSBNXZEJQB-RTWAWAEBSA-N 485.610 1.537 30 10 JDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCn1cc([C@@H]2CCOC2)cn1 1690034275 CEOZKEAEKVEWIP-YKSBVNFPSA-N 452.559 1.794 30 10 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485.566 1.454 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C)OC3(CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1760558676 WZDOEVQVNJUILW-XMSQKQJNSA-N 484.619 1.305 30 10 JDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1764696736 DYNHOKGCVLHAAP-UHFFFAOYSA-N 480.573 1.545 30 10 JDEE CCN1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1765453653 AOQWHVPMOVIFFH-OAQYLSRUSA-N 451.575 1.986 30 10 JDEE CCN1CCN(CCCn2c(COc3ccc(C)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 1765576711 IEVWFYXAVMDROM-JOCHJYFZSA-N 453.591 1.922 30 10 JDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1766847825 FBEIPZWBNYBUSW-SFYKDHMMSA-N 491.662 1.253 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 1766882808 DMQQIJQQZVQJMR-SFTDATJTSA-N 481.601 1.490 30 10 JDEE COc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)c(OC)n1 1770235274 GHKIEQHKFWUNNO-UHFFFAOYSA-N 468.539 1.758 30 10 JDEE CC(=O)N1CCCc2cc(S(=O)(=O)N3CC[C@H](NS(=O)(=O)c4ccccc4C#N)C3)ccc21 1858329121 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C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)NC)CC2)cc1 1286797660 YRMZCLFVTMUEBN-GOSISDBHSA-N 474.587 1.255 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1286814702 VRQRUAAVRNQSDF-UHFFFAOYSA-N 498.650 1.758 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)C1 1286848357 GTSKNJXEAGYUAU-HXUWFJFHSA-N 463.546 1.715 30 10 JDEE CN(CC1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1298585258 FJEUUUVCQUUHLC-UHFFFAOYSA-N 468.558 1.874 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1300478800 BULRZSPODGSVMO-SFHVURJKSA-N 489.598 1.499 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccccc1S(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300480038 XCMNQFARSJXXON-GOSISDBHSA-N 493.655 1.501 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1300482581 GPOWUBOIFDDXAR-AUSIDOKSSA-N 491.614 1.793 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCCC2=O)c1 1300509466 MFSLJKYXMOUEIX-QGZVFWFLSA-N 454.556 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461.588 1.541 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1359040019 FGDILXKWSMXJFT-YLJYHZDGSA-N 458.607 1.713 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(OC)nc2OC)CC1 1359041850 KPBSPGCFKZASFK-RUZDIDTESA-N 498.584 1.357 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCOC)CC1 1359043781 IHPMZNYMFAZCQL-UHFFFAOYSA-N 477.569 1.677 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)Nc2ccc(F)cc2)CC1 1359045154 YOMVVLPZLWXJHD-QGZVFWFLSA-N 454.506 1.526 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCn2nc(C)nc2C1 1359051513 ZCYVIUMWJALSPP-UHFFFAOYSA-N 486.627 1.482 30 10 JDEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1359142366 GGKOQBGJHVAGJV-HNNXBMFYSA-N 475.916 1.645 30 10 JDEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359209393 LYENSWVQFCRGBD-INIZCTEOSA-N 459.348 1.821 30 10 JDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(C(C)=O)CC1 1359224353 NZLGUBCZVGNLPF-UHFFFAOYSA-N 451.535 1.572 30 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460.560 1.077 30 10 JDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1507605486 UZZHTTYFYZRFDE-JQVVWYNYSA-N 465.620 1.592 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1507746411 QIESFFGXMZVDSY-KRWDZBQOSA-N 476.628 1.416 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507804166 IYPMSRAKEZUIEG-VQIMIIECSA-N 489.602 1.425 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1508078581 DSBAXOQTEQKSHP-UHFFFAOYSA-N 479.541 1.951 30 10 JDEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1513165955 DZPNSJFHMLGBJP-FUHWJXTLSA-N 489.602 1.229 30 10 JDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1539067894 LWMXRSLPGPCSPA-MRXNPFEDSA-N 464.617 1.665 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1539093937 IDNZPHVQWZNYFQ-FUHWJXTLSA-N 486.664 1.133 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(=O)Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1539222883 XYGBJZVKGPNVFP-QFBILLFUSA-N 475.546 1.577 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1539224378 GCUFTYLAOCPGMR-SFHVURJKSA-N 454.556 1.798 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1539230472 MVABNINIDNYESW-WMZHIEFXSA-N 485.566 1.161 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1cc[nH]n1 1539557156 MERDXMGBHZFMGQ-HOYKHHGWSA-N 498.588 1.732 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1540858116 HLGONTGMKJHJEV-YJBOKZPZSA-N 483.616 1.398 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1540899333 KOGRTNFMKAZTNB-UHFFFAOYSA-N 492.627 1.183 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1540907434 WZTKDHQJDKLDBL-IBGZPJMESA-N 472.571 1.434 30 10 JDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1540916250 UTZIOZYHVQOZCY-OAHLLOKOSA-N 497.672 1.424 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)Cc1ccccc1 1587639606 MFLMLKZDKGQZGO-WMZOPIPTSA-N 450.586 1.253 30 10 JDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1587898551 RPHFPJXZKOJMCR-ICSRJNTNSA-N 455.563 1.849 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(-c2ccccc2)c1 1588181590 XOPXJBGTCQRAMP-GOSISDBHSA-N 451.556 1.585 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CCS(=O)(=O)N1CCSCC1 1588253969 LCKRCMTUZKZMBZ-UHFFFAOYSA-N 491.614 1.838 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@](C)(O)CCOC)CC1 1588805834 CBIOZCDIUOFYGQ-RUZDIDTESA-N 479.585 1.218 30 10 JDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1588975734 KQDSZMHLOUZHOS-NQIIRXRSSA-N 489.690 1.552 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2C1 1589069121 ISRHGLMYWMMOQR-LJQANCHMSA-N 461.613 1.540 30 10 JDEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1594720731 VOXNNNXEXJQBKT-UHFFFAOYSA-N 451.535 1.081 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1594812830 LBHFZRZHHUQCOG-PMACEKPBSA-N 467.636 1.322 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1595569486 HYMTYEIKPHYTMR-UHFFFAOYSA-N 493.612 1.374 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1595798542 QDMWWZHKVZYHFW-WMZOPIPTSA-N 492.598 1.844 30 10 JDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)CCO1 1619753578 CQHRKLYCEYEXMI-OAQYLSRUSA-N 464.526 1.636 30 10 JDEE C#CCCN1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2O)CC1 1631719788 MUDZVGBXHIIOLY-UHFFFAOYSA-N 458.496 1.882 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 1632484521 MFPCVUKQVBYHKP-UHFFFAOYSA-N 452.510 1.547 30 10 JDEE C=CCN1CC[C@@H](N(C)C(=O)Nc2cc(Br)cnc2N2CCN(C)CC2)C1=O 1661870187 OTJHGYUPOVZGBX-MRXNPFEDSA-N 451.369 1.847 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCOc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1689987965 GPPAHPXTPRVUTH-MJGOQNOKSA-N 475.546 1.464 30 10 JDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1689990334 NTNCDKYZLJXPED-LPGCABEGSA-N 478.596 1.186 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCn1ccnc1C 1690003609 SATODTOGNOYKKE-UHFFFAOYSA-N 450.572 1.825 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCN1S(C)(=O)=O 1690051226 QYMKIFMFLPIWEL-HXUWFJFHSA-N 465.583 1.404 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1690110673 VZAHIFIXTFBTJN-UXHICEINSA-N 450.591 1.801 30 10 JDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@](C)(O)CCC)CC1 1690120144 ISARQDGJEPAECQ-QFIPXVFZSA-N 459.620 1.545 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2c(C)cccc2C)CC1 1690124877 WGLXZECWNNCCIF-HXUWFJFHSA-N 457.600 1.631 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccccc2OCC)CC1 1690143929 GXATXVPQUNGCHK-FQEVSTJZSA-N 464.570 1.836 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC(=O)NCCc2ccccc2)CC1 1690144074 LCAKSUSULWQGKU-UHFFFAOYSA-N 485.592 1.973 30 10 JDEE C=C(Br)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C(N)=O)C1 1690220944 GNVITAUQEARZHU-AWEZNQCLSA-N 483.392 1.416 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1 1690245818 NHVHPCXLGPNQPR-SFFUCWETSA-N 457.572 1.386 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1scnc1C 1690668618 BYFNUUJVWZSFDA-UHFFFAOYSA-N 464.555 1.896 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(CCS(C)(=O)=O)C1CC1 1690672263 MWPHAPSINNBTMD-SFHVURJKSA-N 461.544 1.106 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690674946 LESOTHTYCJNJMM-XMMPIXPASA-N 481.557 1.282 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nc2ccccc2[nH]1 1692662501 HXXNABOYWAMKSJ-LPHOPBHVSA-N 486.602 1.858 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1705525109 YSICEWYYLNGWIS-GOSISDBHSA-N 464.636 1.921 30 10 JDEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705526197 HABWAGJRLFFVNF-UHFFFAOYSA-N 474.569 1.922 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1705562085 YJNXVTNPHBGZNA-IPMKNSEASA-N 492.573 1.989 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cc(F)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1705565799 KGWCKSFSJCJUAB-QFBILLFUSA-N 462.547 1.995 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCOCC1 1705627121 WEKKXGHXAKCBOM-UHFFFAOYSA-N 451.531 1.402 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCOCC(F)(F)C(F)F)CC1 1705648030 PEZDYXYMDGDZIN-UHFFFAOYSA-N 471.459 1.561 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C)CC1 1705691234 CQXQWLKYZNFSQR-UHFFFAOYSA-N 461.368 1.734 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1705895060 SFPNZHPPGOJEBY-UHFFFAOYSA-N 489.515 1.565 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1705898455 MIJQZQGOSNXMDY-JOCHJYFZSA-N 456.503 1.295 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1705906694 MFNHJRRITWISMD-QGZVFWFLSA-N 452.519 1.601 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2cnccn2)CC1 1722325814 OPVWKWGYTHGXEJ-UHFFFAOYSA-N 480.598 1.725 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1722332447 LDCFZSQWPSSCHL-IBGZPJMESA-N 495.627 1.064 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722370532 OKDPBQFXSNOZMH-ADAARDCZSA-N 480.631 1.834 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1722372063 ONMFLBSAIIENET-RTBURBONSA-N 462.645 1.910 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2C[C@@](C)(O)CC)CC1 1722438716 ZLLAFDRIOYBQBO-VWLOTQADSA-N 463.586 1.981 30 10 JDEE C#CCSCCn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722463784 MWKKKYYHWIJIRF-XMMPIXPASA-N 490.674 1.430 30 10 JDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)C(C)C)CC1 1722477079 ATKLPPLZVYRNBU-CYBMUJFWSA-N 477.429 1.538 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2C)CC1 1722523150 DBIKPKHRSJQEIB-FQEVSTJZSA-N 460.604 1.822 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCC[C@@H]2C)CC1 1722582691 PAUKDNRKLJILRB-HKUYNNGSSA-N 452.625 1.498 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCC[C@H]2C)CC1 1722582697 PAUKDNRKLJILRB-MJGOQNOKSA-N 452.625 1.498 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOCC(F)F)CC1 1722584389 YJOWUPPOOBYSSQ-INIZCTEOSA-N 463.551 1.685 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)CC[C@H]2C1)C(C)C 1722664593 CYVWFRHEUJYHRP-SLFFLAALSA-N 455.607 1.739 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1722696647 RQOAJULQCGKRKR-UHFFFAOYSA-N 480.617 1.459 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1722702805 RKTAMFSBQJZBKK-INIZCTEOSA-N 461.567 1.054 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1722729438 KQJASSMZRGIILH-KRWDZBQOSA-N 457.560 1.940 30 10 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479.585 1.998 30 10 JDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1300338869 IOYIHITVOOEGHZ-HXUWFJFHSA-N 450.591 1.945 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300483446 LQICNCKQNHGVJD-KPLVRAHFSA-N 465.620 1.040 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1300489697 QNLALJDTWWRLII-SFHVURJKSA-N 489.598 1.504 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1300504293 LJMOYPDUUFIJOU-NLWGTHIKSA-N 477.631 1.350 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCN(C)C(C)(C)C2)CC1 1300689035 PFOHCSHGSUAAEB-UHFFFAOYSA-N 466.590 1.635 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1301575985 OHIJQHDDDWAKLT-GOSISDBHSA-N 457.560 1.988 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1301586966 QAQSRAYQRJLPGD-LJQANCHMSA-N 478.663 1.354 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncc(F)cn2)CC1 1301613115 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1359295520 FETLMAZTXSTJAO-LBPRGKRZSA-N 467.343 1.967 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1359304360 WLEJTLRDTAZQJF-SFHVURJKSA-N 497.629 1.697 30 10 JDEE C#CCNS(=O)(=O)N1CCN(Cc2noc(Cc3ccc(Br)cc3)n2)CC1 1459887700 UFVBSDUYCOKHHX-UHFFFAOYSA-N 454.350 1.008 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)cc1 1465257080 GGFKIZTUQDFIPU-UHFFFAOYSA-N 456.590 1.571 30 10 JDEE CC[C@H](C)NC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1496268492 FODMOMYFJZAOSW-FUHWJXTLSA-N 469.594 1.327 30 10 JDEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(=O)OC)C2)CC1=O 1504901765 HAPZFVDWZFAGMR-UYAOXDASSA-N 466.542 1.701 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2cccc(Cl)c2n1C 1507539127 RJFXWILYZCRQHJ-RHSMWYFYSA-N 492.005 1.657 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCN2CCOC[C@H]2C)c1 1507550351 YEFDCCMZHFCULO-GOSISDBHSA-N 462.558 1.456 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CCCCS2(=O)=O)c1 1507550370 YPGOOFAMDWQXNX-IBGZPJMESA-N 479.566 1.759 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1507621499 BAMXDTUVMSUYKD-XSLAGTTESA-N 471.649 1.341 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507632650 OSAIQYQXODXEGW-DLBZAZTESA-N 451.593 1.451 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](N1CCOCC1)C(F)(F)F 1507636686 JCJGQFIJZHMKHH-INIZCTEOSA-N 461.448 1.261 30 10 JDEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507638441 RABNTWQXWFNQQY-AKHDSKFASA-N 494.662 1.626 30 10 JDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1507725881 BUZYFCHEVALMKP-HXUWFJFHSA-N 472.615 1.202 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507804163 IYPMSRAKEZUIEG-LPHOPBHVSA-N 489.602 1.425 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1507843717 RKQRBDAJPPDCTA-GOSISDBHSA-N 453.551 1.062 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1507904101 XDKCIENRIQYDJJ-MXLIYFDZSA-N 460.560 1.109 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCOCC1 1507998256 DKMGTIZSUFLDBO-NRFANRHFSA-N 498.609 1.493 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1508070597 AKSYLZBMOQYEIQ-UHFFFAOYSA-N 497.991 1.224 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](CC)C2)cc1 1508101099 TTXRXYQBWOBCOX-TZIWHRDSSA-N 491.614 1.839 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCNC(=O)C(C)(C)C)C1 1508119207 YVZYATXKPZPEDT-IBGZPJMESA-N 465.562 1.864 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1508136323 RGVTXHAWGQRLBK-LJQANCHMSA-N 484.582 1.435 30 10 JDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)c1 1519505872 DRCNHGWFBFAYFW-FXAWDEMLSA-N 481.575 1.758 30 10 JDEE CS(=O)(=O)CCN(c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOC1=O)C1CC1 1519519909 ICYIRCJLZXRWEH-UHFFFAOYSA-N 458.544 1.672 30 10 JDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCN(C(C)C)CC1 1539179270 OEXLUAGAHNLHTC-LJQANCHMSA-N 476.622 1.891 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1539202526 JJBDLTGAVZVAGE-KRWDZBQOSA-N 460.560 1.367 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1539206455 PIZBJZCFRVTXLF-UTKZUKDTSA-N 479.628 1.679 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539211983 MCMORFAXACIPCG-NQIIRXRSSA-N 468.583 1.164 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1539224402 GJQDPMRNADIOMY-LJQANCHMSA-N 456.572 1.306 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc(C)n(C)c1=O)[C@H]1CCS(=O)(=O)C1 1539226061 UCWOHTVIJUASHY-FQEVSTJZSA-N 457.600 1.693 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1539229492 DZTSVDWNWYVFFY-CVCYQNGTSA-N 494.614 1.924 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(F)cc2C)CC1 1539451987 HQOVUOLWEDVIFB-OAQYLSRUSA-N 490.605 1.056 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C)cc2F)CC1 1539488090 GWMIWZRKHHQVPA-UHFFFAOYSA-N 452.534 1.862 30 10 JDEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1539490875 JJFZICPBAQKVCU-OAHLLOKOSA-N 460.991 1.895 30 10 JDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCN1CCOCC1 1539511616 ZCHSBIJAQVABJQ-UHFFFAOYSA-N 453.572 1.729 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS(=O)(=O)CC1 1539622483 WVDKLJFHEZUKIY-IEBWSBKVSA-N 480.612 1.565 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2nc(C)cs2)CC1 1540904073 KAWFBLYFNHDQQZ-INIZCTEOSA-N 452.606 1.474 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC1(S(C)(=O)=O)CC1 1541673929 IBFNLSHWKITLTA-UHFFFAOYSA-N 489.577 1.331 30 10 JDEE C=CCONC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(CC)CC1 1562063492 BIIDRVNUSUIFDR-UHFFFAOYSA-N 453.565 1.089 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1587861297 JOBCIMKNHZMYQP-LJQANCHMSA-N 491.639 1.413 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CN1CCCCC1 1587990400 WJQBNZLFCRAYQI-JOCHJYFZSA-N 486.642 1.715 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(NC(C)=O)c1)[C@@H]1CCS(=O)(=O)C1 1588053957 JGQKVYDGCSQNFR-AZUAARDMSA-N 457.556 1.415 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CC)[C@H]1CCS(=O)(=O)C1 1588055282 UVPSEGDIGCBWCO-PMACEKPBSA-N 476.624 1.418 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1588064558 KLHUPKHCJBJCGX-QGZVFWFLSA-N 461.569 1.740 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(C(=O)NCC)c1)[C@H]1CCS(=O)(=O)C1 1588065380 XUKGHSXVUVOKQK-QFIPXVFZSA-N 492.605 1.689 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1588068915 CCMURCSHOLBJFK-GOSISDBHSA-N 470.555 1.274 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1588075059 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1595302728 CYCWHFRDRMKEOZ-JKSUJKDBSA-N 475.562 1.685 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1595551400 QDUKAHIQIILGSF-GZHHPGBUSA-N 479.628 1.417 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1595784350 DTBKSHYZFKNDPW-UHFFFAOYSA-N 468.583 1.898 30 10 JDEE COc1ccc(-c2ccnc(N[C@@H]3CO[C@H]4[C@H]3OC[C@H]4NS(=O)(=O)c3ccccc3C#N)n2)cc1 1616132208 LECOWFLDRPIAGI-YXPKMTABSA-N 493.545 1.949 30 10 JDEE CO[C@@]1(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)[C@@H](C)CC#N)CCOC1 1619049770 DKRGLMWKGHULRL-HRAATJIYSA-N 462.576 1.739 30 10 JDEE C#C[C@@H](CCC)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1622711400 NXMFZFXEJCZTTQ-KRWDZBQOSA-N 450.561 1.468 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2cccc(NC(=O)c3ccc4nc[nH]c4c3)c2)CC1 1628147055 VSYMBDPUTOPNJK-UHFFFAOYSA-N 458.522 1.713 30 10 JDEE C#CCN(C(=O)NCC1CN(S(C)(=O)=O)C1)[C@H]1CCOc2ccc(Br)cc21 1681695703 CCZQXKQPIFMBQI-INIZCTEOSA-N 456.362 1.809 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1689929850 GCIVXXKTDDBHLS-HXUWFJFHSA-N 492.646 1.253 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1689982397 MJMQLYRQMBDNON-INIZCTEOSA-N 478.571 1.369 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1689994023 PPBQYRQNIAMCAV-GBXCKJPGSA-N 488.610 1.504 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1689995818 ATKWZGOGKQSACW-FQEVSTJZSA-N 485.610 1.754 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCS(C)(=O)=O)CC1 1690139594 TTYOAJXZKBZBRQ-UHFFFAOYSA-N 489.598 1.363 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1690237106 VNWKWCZDIIBLCW-FPOVZHCZSA-N 475.638 1.388 30 10 JDEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1690256224 GXGPXQLNUOMVSE-CZIZESTLSA-N 450.503 1.854 30 10 JDEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C)CC1)c1ccccc1 1690445405 XAGCFSOMNNOACU-SFTDATJTSA-N 465.602 1.799 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1690743545 CLDDUOWEBONCLX-MRXNPFEDSA-N 491.705 1.350 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)C1 1690786106 FKQYEMZCXLLBEY-NRFANRHFSA-N 451.575 1.844 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1691008170 FDYRRKBWTGWLAY-MSOLQXFVSA-N 452.563 1.665 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1705476330 XMMRLEYSBKUXJM-BEIYGRMHSA-N 452.559 1.462 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1C(F)(F)F 1705550957 CHHPFJNZHDWZQL-QGZVFWFLSA-N 487.504 1.756 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1705566560 PDOZZIZBBIUVQY-DMPWYTOCSA-N 477.587 1.430 30 10 JDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1705638271 FEKDMWRHMBXXNV-WZONZLPQSA-N 473.647 1.791 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1705661784 IXEFSNZLNCRQFG-ROUUACIJSA-N 467.661 1.679 30 10 JDEE C=C(Br)Cn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@@]1(OCC)CCOC1 1705692763 RZPQAVQMPOVFLL-HBUWYVDXSA-N 459.341 1.199 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1705737722 YGKWBUANTMFMBU-VXKWHMMOSA-N 489.642 1.629 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1705811286 CEEKDZGLTKODSJ-MOPGFXCFSA-N 481.667 1.378 30 10 JDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1705901589 PYWMZUZEWARQDJ-INIZCTEOSA-N 458.567 1.651 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cnn(-c3ccccc3)c2)C1 1705915189 ISSRXLUQFZBRFO-FXAWDEMLSA-N 471.587 1.904 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CCCO2)CC1 1705936784 YITNZMHNPOOPLH-ROUUACIJSA-N 472.633 1.176 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOC1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1722360138 ZEXHFUSSUBBNIU-LJQANCHMSA-N 477.631 1.880 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1722367437 WEVHBZFUYGSRCU-RZFJCUDFSA-N 476.574 1.565 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722367890 NOMJHNFVLNHUDQ-QVKFZJNVSA-N 463.560 1.040 30 10 JDEE C#CCN(c1nnc(COCC)n1CC(C)(C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722369928 IRMPUWKQEARDOY-OALUTQOASA-N 451.637 1.952 30 10 JDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC1(C(N)=O)CCOCC1 1722401491 ZZCIYTSWHRRLFA-UHFFFAOYSA-N 454.556 1.015 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCS(=O)(=O)NC(C)C)CC1 1722445069 KWPCFAWFLQNLEF-UHFFFAOYSA-N 493.033 1.892 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(C(C)(C)C)no2)CC1 1722445527 XSNCEIDUYRHGEM-OAHLLOKOSA-N 491.618 1.188 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCC(=O)N[C@H](C)CC)CC1 1722449323 PRNAFJSLNFGIRB-GOSISDBHSA-N 451.575 1.535 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(C2CC2)CC1 1722518078 UEKSMWMZOOZMRG-HXUWFJFHSA-N 466.652 1.888 30 10 JDEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722625270 NOLFPVYIAOSAIA-UHFFFAOYSA-N 482.585 1.817 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCOC1 1722664030 ODHXUVFNPWPHRU-YLJYHZDGSA-N 483.616 1.017 30 10 JDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1723590026 CPNYJRXZWBHQEC-KSFYIVLOSA-N 456.526 1.527 30 10 JDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1723645804 GHGOIIRAUFYZJP-UHFFFAOYSA-N 478.601 1.476 30 10 JDEE C[C@H]1OCC[C@]1(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CC#N)CC1 1726763450 ALCMAKLKZKUZMO-HXOBKFHXSA-N 488.614 1.865 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCC(O)CC2)cc1 1740533082 OMXFMKOVIVFPAT-ROUUACIJSA-N 474.631 1.351 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1740534549 ZONHNIWPGBNLOX-OTWHNJEPSA-N 474.631 1.615 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1cccc2[nH]ccc12)[C@@H]1CCS(=O)(=O)C1 1740615624 IBWKNXSRFVPQIX-GOSISDBHSA-N 468.583 1.767 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1740624472 HGIJSJQVOIUYGJ-GOSISDBHSA-N 459.963 1.441 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(C)n(C)c1=O 1740664640 XYYNADVTCKOKKE-UHFFFAOYSA-N 468.583 1.710 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1740704276 KZXLJTUHRILEMI-FQEVSTJZSA-N 463.586 1.873 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nccs1 1740717213 MNHKQUTUZIBNJL-CQSZACIVSA-N 456.619 1.070 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CCC 1740773932 HQYUMYRNGCLTHX-OALUTQOASA-N 454.641 1.888 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cnccc2OC)CC1 1740839870 PQXYEQJWFVXIGX-LJQANCHMSA-N 462.576 1.465 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc([C@H](C)O)cc2)C1 1740983015 ZPAQHBOQSISGGX-IOMROCGXSA-N 491.614 1.494 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1740992679 LKKFYUXLKSHEDN-HXUWFJFHSA-N 460.604 1.166 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1740995049 YMIAHRFKQNRLTG-AUSIDOKSSA-N 476.599 1.885 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CC)[C@H]1CCS(=O)(=O)C1 1748801725 FCSKOHBLVFUKKE-FQEVSTJZSA-N 455.584 1.752 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCNS(=O)(=O)CC)CC1 1748999956 HYNCNZQRJCRRAU-SFHVURJKSA-N 495.650 1.045 30 10 JDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1749048850 CRSAAGCKXJBOCJ-HLAWJBBLSA-N 460.648 1.875 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1749060571 UWRZZDLYENNYEF-DHIUTWEWSA-N 474.583 1.894 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1749213601 OOIDTTIUJGUEJB-ROUUACIJSA-N 470.640 1.171 30 10 JDEE C=CCCOCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749445704 WBTJHTWJUDAKHD-DLBZAZTESA-N 472.521 1.297 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1749656011 XFSVVISWEOAMPN-UHFFFAOYSA-N 484.529 1.367 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)nnc1C(C)(C)C 1749739911 NDHGPRQCAUQJCO-DLBZAZTESA-N 455.625 1.544 30 10 JDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)F 1750792690 FFYAVXQIGNGLFE-AWEZNQCLSA-N 452.503 1.939 30 10 JDEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1760152408 LKGWEBLOUGVOQC-UHFFFAOYSA-N 477.569 1.773 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1760187198 IRWPYIJZBGDDEB-ROUUACIJSA-N 462.547 1.995 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1760189804 LXNHLZTUCROWCR-HFJQGTKSSA-N 474.583 1.044 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1760190655 SZECNBBAUGJTNB-UNMCSNQZSA-N 471.627 1.525 30 10 JDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(NC(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1760190727 YAVRQJCBQHRRSS-LJQANCHMSA-N 456.572 1.924 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1760190872 VNEXVUAPCOOPTB-JAXLGGSGSA-N 455.584 1.872 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1760255809 PODZPWKZOCFSOL-UHFFFAOYSA-N 454.556 1.492 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(OC)ccc2OC)CC1 1760265277 VJHHGWVMUXVGKH-UHFFFAOYSA-N 480.569 1.545 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(C)n(C)c2=O)CC1 1760271279 SHFPRXYEVDIWGG-UHFFFAOYSA-N 488.592 1.921 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2sccc2C1 1760356959 AIOUOXLEOMXTOT-QGZVFWFLSA-N 467.617 1.828 30 10 JDEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCNS(C)(=O)=O)CC1 1760399242 FLMYFGYXAGIATC-UHFFFAOYSA-N 457.564 1.263 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1760556488 FQKIJMKVIPDHEC-OAQYLSRUSA-N 485.614 1.583 30 10 JDEE CC[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1)OC 1764254599 DHVZYFBIHFQBFV-RBUKOAKNSA-N 462.576 1.544 30 10 JDEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1769067330 ACWYKUXWJCDBAB-LJQANCHMSA-N 460.560 1.379 30 10 JDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)CC1 1769345129 CBOLHWAGJOZVMZ-UHFFFAOYSA-N 452.563 1.389 30 10 JDEE N#Cc1cccc(C(=O)N2CC[C@@H](NS(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)C2)c1 1858297850 AQAQTADXPUFKKO-QGZVFWFLSA-N 452.492 1.405 30 10 JDEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n([C@H]2CCS(=O)(=O)C2)[nH]1 1870004638 GUOUNPUEVDZSFG-INIZCTEOSA-N 460.516 1.707 30 10 JDEE COc1cccc(Cn2nnc(C#N)c2NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1870111850 FGCDVEJTSRJGNP-UHFFFAOYSA-N 475.421 1.740 30 10 JDEE C=CCOc1ccccc1OCC(=O)NCCC(=O)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 1873678467 LUSKYUCNXAECGD-RTBURBONSA-N 451.523 1.944 30 10 JDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc4oc(=O)ccc4c3)CC2)CC1 1891186368 PEMXFCHNKGJYNZ-UHFFFAOYSA-N 473.595 1.604 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CO1 2247951339 INPXNVGPOBHRAE-ZDUSSCGKSA-N 460.383 1.877 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2CCN(C(=O)OCc3ccccc3)C2)n1 2255793888 DKXIQAUNBAQTHF-KRWDZBQOSA-N 490.391 1.409 30 10 JDEE C[C@H](NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2255808841 OUDCXKFDHSUEGK-LBPRGKRZSA-N 453.370 1.542 30 10 JDEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256620881 OAIBOWDWBZMULC-LJQANCHMSA-N 454.358 1.224 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2266987046 UQOJYALUZMXGMT-IAGOWNOFSA-N 450.316 1.835 30 10 JDEE Cn1cc(C(=O)NC[C@@H]2COCCN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267177733 RYIOOYNCRXUBPA-CQSZACIVSA-N 450.345 1.085 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1COCC[C@H]1NC(=O)OC(C)(C)C 2267182757 JDDBKLLZYFNCJL-CABCVRRESA-N 450.345 1.131 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@@H](CO)C1 2267279297 GSNPUMOIJMZERD-CABCVRRESA-N 450.341 1.927 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1CO 2267556391 WJBBFUKCEOGWEH-HOCLYGCPSA-N 450.341 1.927 30 10 JDEE COC(=O)C1(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CN(C(=O)OC(C)(C)C)C1 2267557543 PVYXKTRVEMULOW-UHFFFAOYSA-N 450.297 1.471 30 10 JDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)CCS(=O)(=O)C1 2268721767 PVWOOBQHLMRYGG-VFNWGFHPSA-N 470.397 1.905 30 10 JDEE Cc1ccnc(C(=O)N[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282010496 WXHXKAAUERAILE-HNNXBMFYSA-N 461.368 1.789 30 10 JDEE Cc1nc(C(=O)N2CCN(C)C[C@@H]2CNC(=O)C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)s1 2282022270 RPUZMYUAJKPBAW-LBPRGKRZSA-N 476.330 1.185 30 10 JDEE Cc1nn(C)c(C(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282558290 HNHNWQCJQYDTQJ-DGCLKSJQSA-N 458.290 1.699 30 10 JDEE Cc1c(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282597113 ICHCYUCXYNKVQX-IBGZPJMESA-N 454.380 1.659 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2282847854 FXJNTKBBTXLMIC-AWEZNQCLSA-N 484.428 1.786 30 10 JDEE CC(C)(C)OC(=O)N1CCN(CC(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C(=O)C1 2283960009 SSMLFVXHCVWOEG-UHFFFAOYSA-N 479.408 1.743 30 10 JDEE CC(C)(C)OC(=O)N1CC(N2CCC[C@@H]2C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2287385513 YIOBDGAPQNOEGU-CQSZACIVSA-N 479.412 1.281 30 10 JDEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccncc2)c1C 2297059922 QTXUPGAUWICEAY-OAQYLSRUSA-N 482.537 1.957 30 10 JDEE CCOC(=O)Cc1nnc(S)n(N=Cc2c(C(=O)OC)[nH]c3cc(OC)cc(OC)c23)c1=O 2321656199 IFKCZQFYNQWFOE-UHFFFAOYSA-N 475.483 1.200 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337394647 OTNJNTDQSGFEPX-ZFWWWQNUSA-N 467.397 1.790 30 10 JDEE COc1nc(NC(CO)(CO)CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339784941 KLDXKOMILHWDHD-UHFFFAOYSA-N 453.345 1.049 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 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C=C(Cl)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286629223 OPCGJWCQIJXYAT-HZPDHXFCSA-N 493.996 1.292 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1286781891 DEDLDMGINPJMIL-UHFFFAOYSA-N 473.585 1.792 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1286785468 LJXNBLWGOZIGQD-UHFFFAOYSA-N 463.546 1.466 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1286790852 YMQZXODQPWSXMZ-UHFFFAOYSA-N 461.592 1.993 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS(=O)(=O)CC1 1286799156 SIRWSOQWIFTBLV-ICSRJNTNSA-N 462.572 1.850 30 10 JDEE CN(C)C(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1297986312 AAQFZRPTQDLSPA-KRWDZBQOSA-N 454.510 1.045 30 10 JDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1300381485 DPRMMXOARUOOQV-UHFFFAOYSA-N 451.531 1.469 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 1300478788 BLRSLCVRFZSPRH-OAHLLOKOSA-N 465.526 1.564 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1300481989 CZYYPLALHWSQSU-CVEARBPZSA-N 482.404 1.852 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CC1(OCCOC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300485377 VQYNEPPCELPJEM-GOSISDBHSA-N 454.593 1.240 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1300684226 YFZZCJZVXKXKLO-MSOLQXFVSA-N 461.563 1.747 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCC(=O)N(C)C)CC1 1300718887 IBEXQLXCIGNOPQ-UHFFFAOYSA-N 480.569 1.551 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1300731496 GIAHDNZRHDXLNC-ROUUACIJSA-N 462.620 1.248 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1300763002 MGSWOXFWFLRGEX-OALUTQOASA-N 467.661 1.095 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1301189342 VBQQOBKYFBLAHB-ZWKOTPCHSA-N 489.664 1.371 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CCS(=O)(=O)CC1 1301399903 WSFTVMPROWWSMJ-IBGZPJMESA-N 473.599 1.404 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1301479204 WDNOIGUUCOPYJR-LSDHHAIUSA-N 467.621 1.339 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1301479258 XWXBJDOGAJWLJM-UHFFFAOYSA-N 454.510 1.056 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1301509216 CLASMYMSZJXCAI-INIZCTEOSA-N 455.485 1.990 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1301529103 GRCUOFRZAFIZRD-IRXDYDNUSA-N 492.602 1.778 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1301576658 XLCULAXWQIDADD-QHCPKHFHSA-N 481.582 1.903 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=C(C(F)(F)F)CC1 1301588224 DMHFALPSUAGCEC-CYBMUJFWSA-N 468.523 1.480 30 10 JDEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CC2(O)CCOCC2)c1 1302981926 BDPCCFNKMUOVBU-KRWDZBQOSA-N 478.475 1.863 30 10 JDEE C#CCOc1ccccc1CNC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 1311443439 BBTOLNPWPCXFPQ-UHFFFAOYSA-N 457.552 1.860 30 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455.559 1.758 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1359314968 LOJVLBWFUHCLEE-GOSISDBHSA-N 492.598 1.683 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1359327191 VBQUZHBGULFRGA-FQEVSTJZSA-N 480.953 1.904 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1359333130 OPMFIVCTUFWPBT-FQEVSTJZSA-N 472.615 1.369 30 10 JDEE CC(C)(C)NC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)CC1 1359552931 HUFKTWFHHABLQG-LJQANCHMSA-N 453.547 1.862 30 10 JDEE C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)N(C)C 1360568436 CLCJLRNNPMWYSL-WIYYLYMNSA-N 471.631 1.324 30 10 JDEE C#CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)[C@@H]1CCS(=O)(=O)C1 1435070253 YIIWFEYLBWXGCR-AUSIDOKSSA-N 453.520 1.256 30 10 JDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1COCCO1)C1CCN(S(C)(=O)=O)CC1 1503411992 DDTSMVVSQKJFMK-IBGZPJMESA-N 460.560 1.092 30 10 JDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCOC2)CC1 1504536439 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C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1508142371 CLNLKZMBLIYOPJ-LJQANCHMSA-N 495.552 1.857 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](OC)C(C)(C)C1 1508143729 KGWGWGLCTAGVNR-SFHVURJKSA-N 458.588 1.979 30 10 JDEE CC(C)(C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1508466093 DPOFSNDTJAPKTD-GOSISDBHSA-N 482.564 1.729 30 10 JDEE CN(C)C(=O)CCCn1c(-c2cnccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1516952255 ALRSLHGOPKZLPY-UHFFFAOYSA-N 463.521 1.941 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1519222877 HNBOCELJPPLDGZ-UHFFFAOYSA-N 476.541 1.039 30 10 JDEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1539212521 PUTPXSQJNMJVCG-QZTJIDSGSA-N 497.415 1.996 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539220048 HFXAWHKOEZAFJC-ZACQAIPSSA-N 494.618 1.159 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1539230293 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C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1588791349 SOVMKHZEVWVJNM-VWLOTQADSA-N 466.586 1.976 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC2(OCCOC)CCOCC2)CC1 1588800893 QRUVICCTZMCCJJ-UHFFFAOYSA-N 469.586 1.921 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1588908710 VKUNFGJDACVINV-INIZCTEOSA-N 476.002 1.999 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1588961738 KKMKKEVYJPLGGD-IQGLISFBSA-N 478.553 1.234 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1589109479 BOOAVEOIMHQBGV-HNNXBMFYSA-N 467.642 1.649 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1589483240 NSJJKSKJAPZPIY-HQRMLTQVSA-N 453.547 1.964 30 10 JDEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@H]1CC 1593735499 IQUCRHBEOSRUBX-LJQANCHMSA-N 465.558 1.982 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1594732296 BSTVGNKJXMEELO-LJQANCHMSA-N 480.635 1.416 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1595523011 MGLZZCCMWVCQNH-KRWDZBQOSA-N 474.009 1.937 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(C(=O)N3CCCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1595593371 BUHUNLOZXPRHDH-XMMPIXPASA-N 474.606 1.461 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCc2nn(C)c(=O)cc2C1 1595812044 LMCBMHBATVBYQI-UHFFFAOYSA-N 472.546 1.265 30 10 JDEE CC(=O)N1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 1596020056 GJYFRYYTMRSOQM-KRWDZBQOSA-N 485.614 1.545 30 10 JDEE CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1 1596234223 AXRAHKUYGFFNHK-IWKHNONTSA-N 469.571 1.514 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](C(=O)N(CC)CC(F)(F)F)C2)c1 1628863243 DMPCUHRKPJIBIS-INIZCTEOSA-N 459.490 1.861 30 10 JDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CSc2nnc(CN3CCCC3=O)o2)CC1 1643368986 GSGAKUGVIIFKNC-QGZVFWFLSA-N 458.519 1.832 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CSC)c1 1689852149 BEMPIQSWKAYRIU-APWZRJJASA-N 463.629 1.980 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](OCC)C1CCCC1 1689966529 UTGHOTRCVNASLF-RBUKOAKNSA-N 453.609 1.666 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1CCNC(=O)c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689979931 JMAMDKTVZHRICD-IEBWSBKVSA-N 473.599 1.857 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1689982017 GHGVEJZVJMWTMG-RBBKRZOGSA-N 480.594 1.702 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1689989162 BNFWIWGHJNURPP-PMACEKPBSA-N 497.687 1.073 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@]1(N2CCOCC2)CCSC1)[C@@H]1CCS(=O)(=O)C1 1689990593 QHJTZHXJYOXCMA-XXBNENTESA-N 495.715 1.701 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689993552 GQYAHXCQSFPKHG-QGZVFWFLSA-N 494.643 1.785 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H]1COCCO1 1690048916 STDKNBYQACCRGM-PMACEKPBSA-N 473.574 1.855 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCNC(=O)c2ccco2)CC1 1690137742 HVAXUHWGDPZECU-RUZDIDTESA-N 498.584 1.308 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C(N)=O)c1 1690235765 DMKDGAAOJPBOQX-IPELMVKDSA-N 476.603 1.605 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC(C)CC2)CC1 1690288155 KPIDVRKXLBWHSF-MHJFOBGBSA-N 466.652 1.888 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)[C@@H]1C 1690313636 ZOGHMLIKTXSDBD-BBWFWOEESA-N 459.638 1.534 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1690484637 ANYPANWRQDWFIH-FQEVSTJZSA-N 477.635 1.999 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1690644570 UCFMRPIPWYRDAS-XLIONFOSSA-N 451.524 1.034 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1690671042 NYQQSQFUERNRQD-IBGZPJMESA-N 482.585 1.835 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](N2CCCC2)C1 1690714104 FBIWZPLTOUUTBM-GOSISDBHSA-N 450.609 1.180 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)CCOC 1705495415 PPROUJNSILIWII-HOIFWPIMSA-N 451.568 1.832 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1705559875 GNAWCXUCHGOXCG-GKBFQHABSA-N 492.573 1.724 30 10 JDEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1705572301 XIXGKLMBQIWLRT-CEXWTWQISA-N 495.646 1.838 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC(=O)N(C)C)CC1 1705646304 VLKGPTPEYXRWTQ-UHFFFAOYSA-N 468.558 1.406 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccco2)CC1 1705729883 BQUPGBKZRLUVQO-MRXNPFEDSA-N 466.564 1.036 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1CSC 1705737061 JFPVJTJPTGBDGW-IAGOWNOFSA-N 459.638 1.536 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO1 1705880263 ZRKORLCRVFIPBP-RBUKOAKNSA-N 465.576 1.618 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1705905787 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462.356 1.130 30 10 JDEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282674063 FQRGAOPOVITMSI-INIZCTEOSA-N 459.352 1.577 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)[C@@H](O)C1 2282818552 KCBZSEMVLFWZTR-KSSFIOAISA-N 462.352 1.649 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2282836212 HFCTVCDVXPTHFP-CQSZACIVSA-N 485.416 1.040 30 10 JDEE CC1(C)OB(c2nccnc2C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)OC1(C)C 2283067649 FAJPPMXEZCTCPP-OALUTQOASA-N 450.348 1.501 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2334262653 GROSHLLESRXDLT-FMKPAKJESA-N 468.381 1.118 30 10 JDEE C=C(CS(=O)(=O)NC[C@H]1[C@H](OC)[C@H](OC)CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2359276634 YMCIAQLVVDYYPO-BBWFWOEESA-N 490.428 1.743 30 10 JDEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204863737 DUDNOLYPNXLSMK-ZBFHGGJFSA-N 461.372 1.384 30 10 JDEE 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C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1286470553 ZPPUZFSPSDCFBG-GBESFXJTSA-N 495.646 1.960 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2NC(=O)CC2(C)C)CC1 1286493521 WAEAMWWXYPEKJV-OAQYLSRUSA-N 494.596 1.746 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1CCN1CCCS1(=O)=O 1286741252 FEBNHMSAVIOTPE-HXUWFJFHSA-N 456.572 1.882 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1286789652 IMWJTDCPOHXCTG-MRXNPFEDSA-N 463.571 1.609 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(Oc2ncccc2F)CC1 1286820922 VTBAQDYARKAOOW-INIZCTEOSA-N 465.551 1.965 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC(N(C)C(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286825127 MDSHUGWSGYFZHP-QFIPXVFZSA-N 483.635 1.367 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@H]2CC(=O)N(CCOC)C2)c1 1300334754 SEGDXNZOBJMPNS-PMACEKPBSA-N 480.569 1.333 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1300490053 YIKHKSJYEPHQLT-MRXNPFEDSA-N 479.006 1.783 30 10 JDEE C#CCN(c1nnc(C2CC2)n1C[C@H](CC(C)C)NC(=O)OCC)[C@H]1CCS(=O)(=O)C1 1300494080 YINXTIOBHSCYOE-ROUUACIJSA-N 451.593 1.943 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(OC)CCOC2)CC1 1300700676 UIJKGZLGRGREIN-CPJSRVTESA-N 488.633 1.953 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1300882849 YMOPMMCTIZAQTG-BJLQDIEVSA-N 477.635 1.768 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCn2cc(C)nc21 1301401620 CQKNTDZSXYUTGO-OALUTQOASA-N 475.619 1.872 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@]3(CCOC3)C2)cc1 1301517631 BUQVHKMIVMUGHC-JTSKRJEESA-N 477.587 1.497 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN(C)CC(F)(F)F)C1 1301555458 BVCHTVSOXUXABI-JKSUJKDBSA-N 465.542 1.846 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1301578107 YBNADVOYNCBTTK-LJQANCHMSA-N 450.952 1.311 30 10 JDEE COCc1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)cs1 1315868073 AVRHYMKODSZFGH-LJQANCHMSA-N 467.555 1.809 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358961478 ZXCJXKCMGUDPFI-CEXWTWQISA-N 487.630 1.250 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1358966196 JQMWWJRKRMACQN-ROUUACIJSA-N 489.573 1.634 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1358967635 OQMXHSBTAUIJRL-NRFANRHFSA-N 460.582 1.856 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCO[C@H](C)C1 1358972221 YCBVECICTAONSI-OAQYLSRUSA-N 498.653 1.769 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1359029243 RZAHTPAICGCSTH-UFYCRDLUSA-N 479.695 1.400 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2sccc2C)C1 1359322014 OLALVXJACDFWFR-IRXDYDNUSA-N 467.617 1.811 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C2CCCC2)CC1 1359343199 OFAVWOFJNRJGEF-FQEVSTJZSA-N 498.719 1.985 30 10 JDEE C=C[C@@H]1OCC[C@H]1NC(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1468816159 YPDZORHULPQDEV-MSOLQXFVSA-N 453.561 1.747 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)CC1 1470145570 GIQZOFGPMQQLSY-INIZCTEOSA-N 456.366 1.090 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)CC1 1471451115 NIWASYMIAPXCCI-UHFFFAOYSA-N 457.600 1.020 30 10 JDEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 1502359862 FWUSCCPASJINHN-JKSUJKDBSA-N 469.571 1.848 30 10 JDEE COc1ccc2c(c1)nc(Cn1c([C@@H]3CCS(=O)(=O)C3)nnc1N(C)C[C@H](C)C#N)n2C 1504316585 AVPPIINAAVZSKP-HUUCEWRRSA-N 457.560 1.720 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)c1ccccc1F 1507536174 BADZLUMQUQJEFW-YLJYHZDGSA-N 478.594 1.735 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN(C)S(=O)(=O)CC 1507668301 AAOCQMUSPGDFLG-UHFFFAOYSA-N 457.556 1.808 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccccc2OC)CC1 1507733607 FUYLAVJYZRNYJS-UHFFFAOYSA-N 464.570 1.731 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1507735214 OKDXLJDSSVSPOT-AREMUKBSSA-N 494.596 1.797 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@@H](C(=O)NC)C1 1508072864 KZBBLCADNJJOQY-MRXNPFEDSA-N 458.588 1.529 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCS(=O)(=O)CC1 1508077884 RKFKYJMIYQBHDK-UHFFFAOYSA-N 454.350 1.245 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)c2cccs2)CC1 1508094587 HBQGDSMZSSLKHA-UHFFFAOYSA-N 456.572 1.864 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccccc1F 1508145589 NEZACCAQKJHGKP-KRWDZBQOSA-N 470.592 1.947 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1508148911 YJRIOKLHSCZFCC-VGWMRTNUSA-N 482.525 1.759 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1508162523 QZEZMAYOKIBPMU-IRXDYDNUSA-N 489.689 1.104 30 10 JDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1519605797 FIPAIQDAFXWCDT-IBGZPJMESA-N 457.604 1.678 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2cccnc12 1539014234 LMUMCVGFUUSNPQ-LPHOPBHVSA-N 454.556 1.665 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1Cc2ccccc2C1 1539016437 UTXISSKCNHWUIH-UTKZUKDTSA-N 457.600 1.874 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CCCS1(=O)=O 1539034707 HPUCGIPTGGZWPJ-IRXDYDNUSA-N 466.608 1.844 30 10 JDEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1539071331 SNGZEQGROFLVRS-RTBURBONSA-N 487.605 1.946 30 10 JDEE C#CCN(c1nnc(-c2cccc3cccnc23)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1539211229 JJJBNFLJXIDQDJ-YADARESESA-N 483.594 1.908 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539215883 KWWRESSSQXBCHZ-ZQHDKMAOSA-N 463.629 1.822 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1539848014 KSGDTUUTOCYHFC-UFYCRDLUSA-N 466.652 1.888 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1540019095 BAFRQBLBRGUTPB-KRWDZBQOSA-N 458.567 1.681 30 10 JDEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1540860207 SGVZYMXSTZFTHG-UHFFFAOYSA-N 465.562 1.676 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1c(C)nn(C)c1C 1540869452 NTWXTJXGJAFAPM-UHFFFAOYSA-N 475.557 1.481 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1540900484 XAPLGNIQDGKUKZ-UHFFFAOYSA-N 480.598 1.786 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CCOC)CC1 1540901506 FZWIRVIVXCOJAK-UHFFFAOYSA-N 472.615 1.806 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1540901754 NVKPDJAMEJQTKP-HXUWFJFHSA-N 483.598 1.837 30 10 JDEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)C1 1541274766 BUETUYCMJIVALD-LJQANCHMSA-N 477.573 1.894 30 10 JDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1543310572 ASIJORLJTXNJGV-KRWDZBQOSA-N 450.469 1.443 30 10 JDEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1547244356 BCWFCRZLBZPNNS-IBGZPJMESA-N 474.587 1.658 30 10 JDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1CCN(C(C)=O)CC1 1548308144 HKQJQPRQYOJHLI-UHFFFAOYSA-N 458.588 1.946 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](O)C[C@H]2c2n[nH]c(-c3ccccc3)n2)cc1 1558685577 VYQFRQBQWCGZJO-MJGOQNOKSA-N 451.508 1.331 30 10 JDEE CC(=O)OCC(=O)[C@]1(O)[C@@H](O)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](OC(C)=O)C[C@@]21C 1565535453 MCXFEPIGNNTCAA-QBGPWNNTSA-N 460.523 1.670 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1588069849 UEIVJBSAPPNBMJ-KRWDZBQOSA-N 459.503 1.968 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2(SC)CCN(C)CC2)CC1 1588752206 QNIVWRQNTVHHPI-IBGZPJMESA-N 450.653 1.585 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCCn2cnnn2)CC1 1588763338 VDIDTKXJBMYDBI-UHFFFAOYSA-N 486.378 1.548 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc([C@H](C)OC)n1 1589215649 CNVXIVJJLHUCRY-LUQKVYGDSA-N 494.643 1.815 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)C1 1589505145 LEMMNSWPADJDKS-XLIONFOSSA-N 459.572 1.608 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCC1 1589545283 MVHRYMFMOZYZRV-QYZOEREBSA-N 453.609 1.973 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCS(=O)(=O)C1 1595085585 XYTISYYVGMDHCX-VQIMIIECSA-N 492.627 1.387 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1595467790 ZVFURZGSUQFCSD-UHFFFAOYSA-N 458.519 1.610 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1595506817 NLVUYFYNEAUUIR-UHFFFAOYSA-N 466.933 1.653 30 10 JDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1595569531 IQKJDZHBQOIMHQ-SFHVURJKSA-N 454.579 1.711 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C)C(=O)[C@@H]2C)cc1 1595614060 MVXXWILILIWIIJ-FUHWJXTLSA-N 459.572 1.460 30 10 JDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1595890609 ZXLXRMZEQIBQDD-UHFFFAOYSA-N 471.631 1.164 30 10 JDEE Cc1nc2ccccc2n1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1612428486 BDKLTGLALMSANC-UZLBHIALSA-N 486.602 1.565 30 10 JDEE CN(C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1)c1ccco1 1617642685 ANIIYPPQTHYHSA-HOTGVXAUSA-N 455.544 1.894 30 10 JDEE C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 1673202585 KYUXAKHUWAZUFH-UHFFFAOYSA-N 457.394 1.420 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1 1681569629 CDDCZVHGVTYWRD-GOSISDBHSA-N 453.524 1.380 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)N(CC)CC 1689965694 BIKFYJAQKQJAJZ-LEWJYISDSA-N 474.631 1.764 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1689982453 NJALDKQNQIDIFY-RXVVDRJESA-N 463.560 1.290 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689990776 ROZUIRUSYCTFEF-HOTGVXAUSA-N 463.526 1.641 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)Oc2ccccc2OC)CC1 1690109504 UJDYIDHGBVVHMD-IBGZPJMESA-N 452.559 1.745 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OCCC)nc2)CC1 1690110385 KEBSKGQDYMECSE-UHFFFAOYSA-N 460.542 1.913 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H](OCC)C2CCCC2)CC1 1690124404 KNICOKWNUWGGTG-SFTDATJTSA-N 463.648 1.921 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1690124968 XTJNLQFCHVJECO-MOPGFXCFSA-N 462.645 1.300 30 10 JDEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1690172904 QYXHXWNJEZJCSS-LJQANCHMSA-N 467.661 1.933 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ncccc1F 1690206304 NFDUYBRRVWZESK-DYESRHJHSA-N 478.550 1.216 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690238715 MUIUKTHVKFJRHE-VWFBZHOWSA-N 490.605 1.798 30 10 JDEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)CC1)c1ccccc1 1690442277 PUSKRGAQGVRULS-YLJYHZDGSA-N 460.604 1.917 30 10 JDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1690673909 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FXIHBYBDWIYCLL-OALUTQOASA-N 495.632 1.738 30 10 JDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCCCC2)c1 1698293360 BLQYLDSGCPWMAP-SFHVURJKSA-N 472.571 1.480 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1cc(C)ccc1OC)[C@H]1CCS(=O)(=O)C1 1705558984 NQKZUWHXOLDEFN-IBGZPJMESA-N 473.599 1.603 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1705568824 VTMFJFUICKDARJ-WZONZLPQSA-N 471.583 1.271 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCNS(=O)(=O)c1ccc(C)s1 1705584325 GNJOMIBYAIKBLA-UHFFFAOYSA-N 454.581 1.685 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCOCCOC)CC1 1705646366 XPBYJDFWNUZIQR-UHFFFAOYSA-N 469.542 1.345 30 10 JDEE C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1705727505 JGVPSNSXNDHAEN-UHFFFAOYSA-N 451.535 1.385 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1705791850 FZFWQPQZAPAMEQ-RCCFBDPRSA-N 480.635 1.270 30 10 JDEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCNS(=O)(=O)Cc1ccon1 1705836457 UGMHSAGZTQUNRI-UHFFFAOYSA-N 470.353 1.766 30 10 JDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705889617 NHIFBRROFQAQFQ-UHFFFAOYSA-N 457.560 1.238 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CCN1CCOCC1 1705895435 HBZNKVWRTQTFBK-UHFFFAOYSA-N 450.547 1.406 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(=O)N(C)CC)C1 1705922427 MWYNZIAYHLKEOX-INIZCTEOSA-N 461.592 1.498 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1705931956 GLMOPIGPWCYFKG-UHFFFAOYSA-N 486.598 1.333 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1722360748 VUCKBRWPEGOTKL-RBUKOAKNSA-N 490.582 1.395 30 10 JDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccnc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722363687 HDXKEMHFWWGTGF-AZUAARDMSA-N 472.615 1.698 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1722364060 DRQBETPNJGFMGL-JAXLGGSGSA-N 455.584 1.872 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1722366447 RSZLAGKFOJSWRF-LAUBAEHRSA-N 454.593 1.108 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1722367187 KUVGRHNECKUVBZ-HNNXBMFYSA-N 472.958 1.571 30 10 JDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1722402833 FWKYAJNWJIHANY-OAHLLOKOSA-N 451.453 1.648 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1722432116 SVETYQNLSATYJN-MSOLQXFVSA-N 476.603 1.120 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@]2(N(C)C)CCSC2)CC1 1722443715 MMNKJXCRWVJJSG-RPWUZVMVSA-N 490.674 1.333 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)CC 1722470214 RDFKSKUXVIUPQB-HXUWFJFHSA-N 450.586 1.775 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cn(C2COC2)nn1 1722501722 JABMGWSQIXVKHJ-UHFFFAOYSA-N 486.602 1.809 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1722608826 MMCYSLOWEATGTD-OAHLLOKOSA-N 474.591 1.918 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CNC(=O)C2)C1)C(C)C 1722664571 CLZASNFEKNZSGX-REHUZNOOSA-N 490.674 1.595 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1722688854 MZAPWGYSRUPQAF-LJQANCHMSA-N 462.352 1.065 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1Br 1722698984 QAYAMUWHXVBGPU-HNNXBMFYSA-N 482.404 1.881 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722707534 RUNQAMVMXJFJKB-ZWKOTPCHSA-N 474.587 1.360 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1722707751 YIILLKDMYRXNPX-YLJYHZDGSA-N 474.587 1.820 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1722730250 MQVYMYXZUNUSIY-QFIPXVFZSA-N 451.637 1.913 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(C3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722731066 COCHLYJEIIUAGA-HSZRJFAPSA-N 497.662 1.221 30 10 JDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1722738380 IGQGQYAMYYDSMW-LEWJYISDSA-N 464.680 1.932 30 10 JDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1724009925 GUXFMCPRVGIJKH-UTKZUKDTSA-N 477.612 1.762 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740546807 LBIWAIGCTLEPHB-ZWKOTPCHSA-N 497.625 1.975 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)c2ccco2)c1 1740563385 UIVHWCQLWLASFP-HOYKHHGWSA-N 462.510 1.786 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1740591610 PRLPYJNAKJNICI-RTWAWAEBSA-N 475.615 1.893 30 10 JDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OCCO)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1740617065 LBVHSVOHNIPHPY-SFHVURJKSA-N 462.572 1.456 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1740690853 OWJQKJHLPKLQKS-AZUAARDMSA-N 490.605 1.736 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)(F)F 1740761411 NOVCXOJXBPTJCH-OAGGEKHMSA-N 481.541 1.981 30 10 JDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1740782243 IQXQAECCXDISNE-PMACEKPBSA-N 475.615 1.318 30 10 JDEE C=C(C)COCCn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740799723 UFVVKSWGULMLDZ-NRFANRHFSA-N 456.609 1.925 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccccc1OC 1740947173 QGUKCTNIQSWMFL-SFHVURJKSA-N 451.549 1.321 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[S@@](=O)CC)C1 1740974726 OWPKZSKLVSQKRA-JWRCQZCYSA-N 452.602 1.899 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCNC(=O)CC1 1740987093 OZRQMZZNDAYRET-UHFFFAOYSA-N 455.544 1.262 30 10 JDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1747617221 CKYIHQBDCNCSEU-HXUWFJFHSA-N 471.631 1.466 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748801769 GBBYBMAAKAQOFD-QGZVFWFLSA-N 496.634 1.300 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](COC)C1 1749368605 NQBSYYVTSPAMLR-DLBZAZTESA-N 457.597 1.065 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)COC)C1 1749713526 UKAJTQNQDTUGPW-DLBZAZTESA-N 457.597 1.065 30 10 JDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1750207982 BVXBUJXTAIJBKW-GOSISDBHSA-N 497.547 1.925 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2nccs2)C1 1760136930 DCBUTRIGCNZRTR-DLBZAZTESA-N 480.616 1.449 30 10 JDEE C#CCCCCn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1[C@]1(OCC)CCOC1 1760143176 YGZVKRIHUGDZTR-DEOSSOPVSA-N 466.590 1.974 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCOC1 1760240229 LBCJFBBFJCICGH-HSZRJFAPSA-N 450.474 1.856 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[C@H](O)C2)n1 1760251971 ILFUILRMIMSIPS-FPOVZHCZSA-N 469.590 1.548 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1760258867 DBEVGRWFAFEPBU-NRFANRHFSA-N 473.599 1.757 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC)c(F)c2)CC1 1760268655 NZNHWYHRIDEGDS-SFHVURJKSA-N 454.506 1.391 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1760275690 FIMVJFYQBMDGJD-QGZVFWFLSA-N 490.655 1.654 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760276096 SOMDUXNFJYQEBL-OAQYLSRUSA-N 475.596 1.746 30 10 JDEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1760354508 CYZPOTOUCCDGPB-UHFFFAOYSA-N 455.498 1.012 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1760389229 GHNJVHJGCWWQDF-MSOLQXFVSA-N 461.563 1.820 30 10 JDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)NCC)CC1 1760433225 CHXFMLIXFGEHPD-UHFFFAOYSA-N 460.604 1.573 30 10 JDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1760467522 LKHAHYURLMHGAH-JOCHJYFZSA-N 487.674 1.689 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@H]1C 1760532892 IJCAIFANOHQWNQ-AEFFLSMTSA-N 459.572 1.460 30 10 JDEE CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1765742984 AYMMSKJSSDTWIJ-QGZVFWFLSA-N 476.559 1.488 30 10 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C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1301594700 INMZQTFRHWQRHM-OAHLLOKOSA-N 482.607 1.800 30 10 JDEE Cc1cccc(CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCO[C@@H](C#N)C2)n1 1304489604 CYWWBLSBXUOVSE-FQEVSTJZSA-N 481.582 1.870 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)c1 1309536788 CSGYSSMDSKDZFI-UHFFFAOYSA-N 451.545 1.613 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2CCc2ccccn2)C1 1316353436 FJDJDCWGTKWDHF-IBGZPJMESA-N 459.576 1.379 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1358874415 XEFFRBXNIAKOFY-IGTSAWRXSA-N 461.607 1.658 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1358955580 OXELXQBUEAIRAG-KRWDZBQOSA-N 474.587 1.615 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358961479 ZXCJXKCMGUDPFI-FHWLQOOXSA-N 487.630 1.250 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1358966886 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1359330556 WDMNVYPEOMKTNW-UHFFFAOYSA-N 470.555 1.211 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)c1 1444767981 KIOJLBWFLDZMFA-INIZCTEOSA-N 452.558 1.576 30 10 JDEE CC[C@@H](C#N)Oc1cccc(CNC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)c1 1457648428 CJATVKRSBMTWRW-INIZCTEOSA-N 450.499 1.988 30 10 JDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1469216572 XXECZGSRYHMFHT-PXNSSMCTSA-N 465.572 1.016 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCNC(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1507629883 QIKZBHOVJMBPSI-INIZCTEOSA-N 472.596 1.402 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccc(NC(C)=O)nc1)[C@H]1CCS(=O)(=O)C1 1507634450 YSSOPNGUPSMZHT-IBGZPJMESA-N 456.572 1.964 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1507723721 RWYXUQVNTKBKQF-ROUUACIJSA-N 457.579 1.384 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(F)ccc2OC)CC1 1507741223 XSGTWXYBRLNKDT-UHFFFAOYSA-N 468.533 1.562 30 10 JDEE C=C(Br)Cn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1[C@]1(OCC)CCOC1 1507792450 HYNKRNJSXXHSNM-FQEVSTJZSA-N 483.411 1.239 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1507837044 HHDRITDGZCNJQA-IERDGZPVSA-N 467.567 1.718 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1508058799 FVNFALYIPOWQQN-AWEZNQCLSA-N 473.481 1.169 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1508072286 IOYZRNYQAVNIFE-CQSZACIVSA-N 481.435 1.660 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1508133009 BEZKBHRODGDXJC-RBBKRZOGSA-N 484.626 1.965 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](OC(C)(C)C)C1 1508142335 BRAQILJBNVNYAO-KRWDZBQOSA-N 453.609 1.785 30 10 JDEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC)C1 1515008900 DCQGVTMTSCNSHY-LJQANCHMSA-N 458.588 1.994 30 10 JDEE COc1cc(Cn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)ccc1OCCO 1518001215 FLJBHCIYUAJPLK-UHFFFAOYSA-N 454.531 1.568 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N(CCNC(C)=O)Cc2ccc(Cl)cc2Cl)C1=O 1519502594 ZJVHLIKRKJLJFP-UHFFFAOYSA-N 455.298 1.435 30 10 JDEE C=C(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)C(=O)OC 1535098439 QRFXAHPBMWBTHH-QGZVFWFLSA-N 454.545 1.729 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1539124039 BMPRHCVMPWKFNA-IBGZPJMESA-N 491.639 1.495 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1539207072 ZEUFJQXHTQWBGW-KNQAVFIVSA-N 476.603 1.221 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCN1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 1539219500 KKXAVPGYTGZQFK-QFIPXVFZSA-N 485.654 1.651 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1539327830 GCWBQVGOFPIGON-VHXPQNKSSA-N 458.522 1.867 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCOC(F)F)CC1 1539438509 ZPNJNLXHPFREBW-UHFFFAOYSA-N 453.515 1.733 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1539441502 RCFMRVOMCSGKMC-KRWDZBQOSA-N 459.572 1.152 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1539459238 AGULSGJGPUMYRY-VXKWHMMOSA-N 468.650 1.783 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1539612950 RVVFTPKDVCWBJT-OTWHNJEPSA-N 480.635 1.261 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCNS(C)(=O)=O 1539622217 FCCZZNYGXSCHBQ-VQIMIIECSA-N 463.560 1.640 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)=O)CC1 1539917267 SVKDFESGZIBRNR-GOSISDBHSA-N 468.624 1.272 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCNC(=O)[C@H]1CC 1540904068 JYTFYEICNBSLCD-QGZVFWFLSA-N 453.515 1.463 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1540905547 SUBNMHUXLGGKNC-QAPCUYQASA-N 482.584 1.015 30 10 JDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1541364262 DIMGHGFDBWBRJS-DLBZAZTESA-N 473.607 1.060 30 10 JDEE Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(c3ccccc3C#N)CC2)n(C)n1 1542997943 DLDWWMOVPGWVOA-KRWDZBQOSA-N 483.602 1.177 30 10 JDEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)CCn1cc(C)cn1 1548372664 RFLWUVMGHFAGJZ-HXUWFJFHSA-N 492.502 1.952 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@H]1c1cccc(F)c1 1570313289 BOUBFUCESBCKTJ-DLBZAZTESA-N 457.462 1.479 30 10 JDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC2CCN(c3ccccc3C#N)CC2)[C@@H](C)O)cc1 1586691032 GBQHGCVWIXTSMR-VGSWGCGISA-N 456.568 1.680 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1587765158 BQGJHWCBNXKPJJ-QRVBRYPASA-N 452.625 1.333 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1ccc(C(N)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1588044706 AWGRHSIJKKTWSD-MRXNPFEDSA-N 484.969 1.767 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)CN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1588050813 VIUHTOZWKCJDTN-UXHICEINSA-N 473.647 1.174 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588054636 OWYVGJOSXOECCP-YESZJQIVSA-N 476.628 1.220 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1(OCCOC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588058699 APZUKNLJFLJCJN-LJQANCHMSA-N 482.647 1.706 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1588075062 WQUAIBXYOGRNFR-WMZOXILCSA-N 480.631 1.977 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(O)CCOCC1 1588189873 TTZFLGHMYDPIMC-UHFFFAOYSA-N 454.527 1.975 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)(C)C)nc1 1588647859 ZIJYYFHUNHTEKO-SFHVURJKSA-N 461.588 1.887 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(O)CCOC2)CC1 1588811927 NIPNCWLQYCBNGU-DEOSSOPVSA-N 474.606 1.299 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1588923631 HDFRQNPIOOTJKH-NRFANRHFSA-N 466.590 1.058 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1589059769 JTEXQBXADPLGFW-PKOBYXMFSA-N 473.647 1.165 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1589581652 UUINXJXLLUYLNW-ZRCGQRJVSA-N 497.662 1.772 30 10 JDEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)NCCOC)CC1 1593636886 ULICCDRSTHHXGQ-HXUWFJFHSA-N 456.547 1.251 30 10 JDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCN(C)C(C)(C)C1 1594896366 XPJUHZVEXXQZHS-UHFFFAOYSA-N 475.663 1.844 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1595490457 RWRMNUMIRJTILQ-UHFFFAOYSA-N 483.598 1.576 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(C)C)CC1 1595497232 USLFEGJILXLQGO-UHFFFAOYSA-N 458.563 1.804 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1595607860 KKZUCOZPZPDKQL-JXFKEZNVSA-N 456.503 1.775 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1595759460 FLLRDBOLLMZMAO-OAHLLOKOSA-N 495.005 1.129 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1595845581 WNCGNUDVBTWZSA-BXWFABGCSA-N 459.638 1.582 30 10 JDEE C[C@@H]1CN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)C[C@@H](C)O1 1612989142 DEPZHNWFAUBDPF-KZNAEPCWSA-N 467.640 1.518 30 10 JDEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCc1cccc(OCC#N)c1)n2C 1617232637 FYFYDLWTHIHOSI-UHFFFAOYSA-N 455.540 1.975 30 10 JDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1617618831 CHOAUACOPMYUNF-HSZRJFAPSA-N 464.530 1.302 30 10 JDEE C[C@H](CC#N)N(C)S(=O)(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 1621760686 GZVGGGOTQPPYDC-MRXNPFEDSA-N 451.574 1.410 30 10 JDEE C=CC[C@H](NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C)C(=O)OCC 1632656549 SOJGMWAREJTDLA-QFBILLFUSA-N 454.545 1.775 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)OC)cc2OCC(=O)NC)c1 1635331486 RXAKNRVEKOZXEL-UHFFFAOYSA-N 458.492 1.647 30 10 JDEE CC(=O)N1CCN(c2ccc(NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)cc2)CC1 1643121488 CPQRLTIAFBEHTI-INIZCTEOSA-N 455.540 1.532 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(-c3ccccc3Cl)c2CC)CC1 1669596389 CEOMIVJOMCDPEM-UHFFFAOYSA-N 450.952 1.705 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1689916528 MKEOVHNHEWSECG-SFHVURJKSA-N 479.628 1.622 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1689995804 AGSVINVSQKPIBA-RXVVDRJESA-N 473.647 1.498 30 10 JDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCCS1(=O)=O 1690061141 RUWGQHROOKQGBB-UHFFFAOYSA-N 479.632 1.042 30 10 JDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@](C)(O)CCC)CC1 1690120143 ISARQDGJEPAECQ-JOCHJYFZSA-N 459.620 1.545 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1690135187 QXARGEIYENVWEX-PMACEKPBSA-N 474.606 1.624 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1690150312 CJQKHCPWPHFFEU-SANMLTNESA-N 480.613 1.104 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1690175406 WTXYYWXZLQEQNI-SJORKVTESA-N 464.617 1.697 30 10 JDEE C=C(C)Cn1c(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690297662 BAYYICRPBGURTJ-JOCHJYFZSA-N 493.634 1.448 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCS[C@H](C)C1 1690662238 VYEXTHDWSJAQTJ-CQSZACIVSA-N 463.633 1.791 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1690674993 MSYWTSWOIZJCPH-QGZVFWFLSA-N 475.594 1.444 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690720941 VQHNYOIMNUCSNP-HNNXBMFYSA-N 454.574 1.178 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1690723497 TZZKSKFRVHIMNO-BBWFWOEESA-N 494.618 1.133 30 10 JDEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690750471 KXBCLHNSHUEVCZ-KRWDZBQOSA-N 456.572 1.232 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)N(C)C)c1 1705506921 MAPZHTOSTXFEHV-GOSISDBHSA-N 474.587 1.120 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCC2(O)CCOCC2)c1 1705507997 OVPOUNJZYXVJNF-UHFFFAOYSA-N 480.569 1.388 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705558757 HGHXRGKYGMEHSD-DYESRHJHSA-N 453.609 1.230 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(C)Cc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1705558768 HINHBVSRAMMEEQ-HXUWFJFHSA-N 469.611 1.848 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1705559663 AJOYLJCFDFAPLY-MXBUBSDBSA-N 480.631 1.761 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705560185 FEKZWYVXRSQLNV-PVMFMXGYSA-N 486.660 1.104 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC1CCCC1 1705597300 BDLWMDDCLCZFII-HXUWFJFHSA-N 463.604 1.423 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc(-c2ccccc2)n1 1705598226 FDOBXVFHBUOYQB-NRFANRHFSA-N 494.577 1.777 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1705612433 GWCMSZXWEYNBDR-QRVBRYPASA-N 452.625 1.191 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCO[C@@H]1C 1705630625 APXZTPNPETZUAO-STSQHVNTSA-N 463.579 1.976 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1705639039 DUTWFGUZJBFYTK-HXUWFJFHSA-N 455.559 1.355 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2cnnn2C)CC1 1705639751 VRRUDFBYEGKTSB-UHFFFAOYSA-N 469.594 1.325 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCNC(=O)OC(C)(C)C)CC1 1705648486 XLQSYYYTHXRIJB-SFHVURJKSA-N 487.605 1.500 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1CCN1CCCS1(=O)=O 1705678084 NFGGNEHIVUJNBV-JOCHJYFZSA-N 459.572 1.893 30 10 JDEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705738647 FMZPTHUGHRNHMX-UHFFFAOYSA-N 484.601 1.643 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705896013 ZQWZXTMNRICTJE-UTKZUKDTSA-N 486.020 1.890 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1705901931 ZWXFRAMFHXPBRT-CYBMUJFWSA-N 478.456 1.498 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1705905006 GFBRCUOKTYUQDC-UHFFFAOYSA-N 461.574 1.806 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 1705916289 OJCPYPWHXSDVFW-BZUAXINKSA-N 480.557 1.554 30 10 JDEE CC(C)N(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1706885696 CXZAERQDNQHRCW-KRWDZBQOSA-N 492.625 1.566 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1711419281 BHQPUMWRHDRNMI-UHFFFAOYSA-N 470.534 1.227 30 10 JDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722338053 LAAILVGSHCUNIC-UHFFFAOYSA-N 469.615 1.427 30 10 JDEE C#CCCCn1c(N2CCN(c3nc(C)cc(OC)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1722341010 PIQFDVDOXURRHJ-HSZRJFAPSA-N 455.563 1.777 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722371468 WQDLTJDCECLXCB-TZIWHRDSSA-N 498.609 1.076 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCN2CCCC2)cc1 1722384666 XBJZJTBTNTYWKO-QFIPXVFZSA-N 481.622 1.776 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1722384741 XSYYLTYPGIAOTB-NQIIRXRSSA-N 467.595 1.830 30 10 JDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1722427201 LBUDIHGXDJRVOJ-UHFFFAOYSA-N 473.887 1.941 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1722433461 VYUMZVXAFIGQAP-SIKLNZKXSA-N 484.567 1.958 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(S(C)(=O)=O)CC2)CC1 1722450240 APTPIOBFRXHPJE-RTBURBONSA-N 491.658 1.740 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cccc(OC)c1 1722464460 GQQKDYGSALHPRR-XMMPIXPASA-N 450.543 1.945 30 10 JDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CC1)CNC(=O)C2 1722535485 JCBGBBMMADNWJW-UHFFFAOYSA-N 458.588 1.969 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCC2)C1 1722538192 VGKBWBROZCEJME-SFHVURJKSA-N 469.608 1.353 30 10 JDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCCS1(=O)=O 1722638871 QPHSGRWIYGISSS-UHFFFAOYSA-N 457.560 1.333 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1722692806 XIJCLFWLZUNOGK-MRXNPFEDSA-N 469.594 1.420 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1722703289 YALDGDMBQGFZII-HSZRJFAPSA-N 453.522 1.679 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(NC(C)=O)CC1 1722726176 XWHZCBNVHGBQGH-UHFFFAOYSA-N 488.614 1.853 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(C)=O)C[C@H]1C 1722729396 JUJVETNHOHFDPG-OAHLLOKOSA-N 467.542 1.805 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722750790 OJDIFDNWPHKROJ-INIZCTEOSA-N 477.587 1.620 30 10 JDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(Cc2cccnc2)nnc1N1CCC(C#N)CC1 1729298443 GRVZKZORWWUILT-NRFANRHFSA-N 450.591 1.947 30 10 JDEE COC[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1730452951 FVSSZBVEFSUUGM-VQIMIIECSA-N 462.576 1.402 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCOc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1740615413 DGQRNNDMYNWZIU-LJQANCHMSA-N 489.573 1.749 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](SC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740617573 TUBLCLFPMANUAO-HRCADAONSA-N 491.705 1.293 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740628585 RQLIEALRKOIAHJ-YZZKKUAISA-N 490.582 1.032 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1740644566 LSFSHXSXMFDGQC-NRFANRHFSA-N 464.570 1.952 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cn2ccnc2)c1 1740672218 ZGWCXPKATYFYNW-NRFANRHFSA-N 483.598 1.364 30 10 JDEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1740713114 FJWYCFNKLCVCBN-UHFFFAOYSA-N 489.968 1.439 30 10 JDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](S(C)(=O)=O)C1 1740743238 QDDMVFIRZLUYKG-NSHDSACASA-N 458.338 1.538 30 10 JDEE C=C(Cl)Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740817101 UWPDWZFMDWWOCL-GASCZTMLSA-N 475.015 1.883 30 10 JDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1740888203 GVKWTGVTGCQZPV-KRWDZBQOSA-N 489.664 1.419 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)CC 1740923518 NZNGKQAHSXHHQB-KRWDZBQOSA-N 482.632 1.343 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1740986324 WSTLWAKSDKJMIH-UHFFFAOYSA-N 482.010 1.392 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCN(CCc2ccccc2)C1 1741924614 BMLBQPPGMLTBAE-GREBRCKQSA-N 489.621 1.895 30 10 JDEE COc1cc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)ccc1C 1748528558 ANGBCSHRFRJMSY-OAQYLSRUSA-N 488.614 1.911 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1748639306 FLJNGHKWZLLZTB-BBWFWOEESA-N 468.624 1.993 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)cc1C 1748672670 WMIJUMAPOVBWHO-YLJYHZDGSA-N 460.604 1.492 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCNC(=O)c2cc[nH]n2)c1 1748692246 FCHLGOJGKCBHAP-HXUWFJFHSA-N 476.541 1.729 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCN2CCCO)c1 1748692968 UHBWTTZVFHJNDU-UNMCSNQZSA-N 466.586 1.685 30 10 JDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(S(C)(=O)=O)CC1 1748745789 XMRQFZUEXXVXRS-UHFFFAOYSA-N 464.617 1.665 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C)[C@@H]1CCS(=O)(=O)C1 1748803170 VPNIEPZGNBMWDF-OTWHNJEPSA-N 491.637 1.548 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1748818401 BFKXFBXYRUSUEK-HNNXBMFYSA-N 459.544 1.542 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)N1CCOCC1 1748847317 RWUFQQLNRIEXFW-UHFFFAOYSA-N 470.574 1.324 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCN(c3ccccc3OC)C2)CC1 1748971198 HDJBGOKBYFXUTQ-HXUWFJFHSA-N 465.602 1.707 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCn2cc(CO)nn2)CC1 1748978894 SLACSCHFPTXQOJ-SFHVURJKSA-N 468.537 1.487 30 10 JDEE C=C(Cl)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)NCCOC)CC1 1749276076 CJEAOZAJXNMCNK-UHFFFAOYSA-N 471.993 1.987 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(N(C)C)CCSC1)C1CC1 1749519431 KVBIWOONENEQLB-XLIONFOSSA-N 470.665 1.203 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H](C(=O)NC)C1 1749655143 DLBSGZPKMTUCHZ-CQSZACIVSA-N 491.390 1.981 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1749732305 VGFHGVSACZZBET-ROUUACIJSA-N 488.614 1.554 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCN(C2CC2)C1 1751190036 AAGBDHFGPWBBSP-LPHOPBHVSA-N 457.604 1.881 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NC(C)C)CC2)c1C#N 1751827573 HNLBEIQXOAUKSG-UHFFFAOYSA-N 472.557 1.582 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1760184312 VJFSBVHCVOXTLL-MBSDFSHPSA-N 490.582 1.395 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC(=O)N2CCN(c3ccccc3)CC2)n1 1760251931 HLPBSKXQLWKBGG-UHFFFAOYSA-N 476.585 1.418 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCC(CO)CC3)cc2)CC1 1760252633 SMCSZNFXPJWCKW-UHFFFAOYSA-N 479.629 1.429 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCN2CCCO[C@H](C)C2)CC1 1760268301 HOHTUPHJWXXSIQ-LJQANCHMSA-N 453.591 1.740 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccn(C)n2)CC1 1760271031 JAJLVVBGCZRJHF-UHFFFAOYSA-N 480.598 1.212 30 10 JDEE C=C(Br)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)C1 1760303215 GWEGQNQXTZOXMH-UHFFFAOYSA-N 469.365 1.040 30 10 JDEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1760444048 VLUYJLKWQJOCES-UHFFFAOYSA-N 455.498 1.298 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cccc(F)c1 1760515944 HZMHMRDXWOZBKA-PBHICJAKSA-N 450.540 1.671 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC(N2CCCNC2=O)CC1 1760556935 UNMJZQHWZRXBRG-UHFFFAOYSA-N 490.605 1.993 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(=O)N(C)C)cc1 1772564678 QDBFLYFOVOAJHU-GOSISDBHSA-N 477.591 1.375 30 10 JDEE N#Cc1nnn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1NC(=O)CNC(=O)c1ccccc1 1870110424 QEDUTMMUGLKGAN-UHFFFAOYSA-N 463.410 1.341 30 10 JDEE N#Cc1nnn(-c2ccc3nc[nH]c3c2)c1NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155645 XSXANAULHBUHIT-UHFFFAOYSA-N 485.420 1.938 30 10 JDEE C#CCOc1cn(C[C@@H](c2ccccc2)N2CCCC2)c(CN2CCN(CCO)CC2)cc1=O 1870563572 HEOFELILMBPBOE-VWLOTQADSA-N 464.610 1.807 30 10 JDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(C(=O)OC)cc1 1874338377 VBALGSQFVMNKRE-CPHRPENTSA-N 459.528 1.936 30 10 JDEE C=CCn1c(C(=O)N2CCC(O)CC2)cc2c(NCCc3ccc(S(N)(=O)=O)cc3)ncnc21 1875231426 MMZSRRTYQNIMDV-UHFFFAOYSA-N 484.582 1.516 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(O[C@@H]4CCOC4)nc3)CC2)CC1 1890179749 DWSJOXAOGDVLJM-HSZRJFAPSA-N 456.587 1.511 30 10 JDEE CCCn1c(C(=O)N2CCC(COc3cc(C#N)ccn3)CC2)cc2c(=O)n(C)c(=O)n(C)c21 1891803319 NCEHMOBFFYOISM-UHFFFAOYSA-N 464.526 1.647 30 10 JDEE CO[C@@H]1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2180980075 FAFIITJMCPIGCQ-GDBMZVCRSA-N 462.356 1.986 30 10 JDEE Cn1ncc(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)c1NC(=O)OC(C)(C)C 2256619022 VHQXJQZCDDYCSW-UHFFFAOYSA-N 450.330 1.592 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@]12C[C@H]2C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256666910 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CC(C)(C)OC(=O)NC(CO)(CO)CNC(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2286181479 KSCGTUBHTPZGAJ-UHFFFAOYSA-N 468.331 1.103 30 10 JDEE CN(CC(C)(C)N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)OC(C)(C)C 2288925229 WWJJCEPIVHIESB-UHFFFAOYSA-N 486.444 1.985 30 10 JDEE Cc1ccc(CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2296178161 JPUFSSJLVOJEBQ-KRWDZBQOSA-N 461.368 1.679 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)[C@@H](O)C1 2342481206 RFQJWZPUJNGDQD-ITEAAPOESA-N 454.373 1.804 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2359271790 XWPPBJUXNUPFBJ-KSZLIROESA-N 462.352 1.057 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)n1C 2362338054 BSQIQTCIDMFFON-UHFFFAOYSA-N 464.372 1.129 30 10 JDEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1F 729671005 ASVKTIMQOULBBS-UHFFFAOYSA-N 475.505 1.048 30 10 JDEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1197540352 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SVQSTLCSARRNIW-QGZVFWFLSA-N 498.650 1.566 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1359333846 LVLSTMYYPGLJGU-HXUWFJFHSA-N 478.688 1.747 30 10 JDEE C=CCN1CC[C@@H](N(C)C(=O)c2sccc2S(=O)(=O)N2CCCC[C@H]2CCO)C1=O 1467532115 QVMAUWOHYQGACS-JKSUJKDBSA-N 455.602 1.533 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCCNC(=O)C3CCC3)nnc12 1472523524 QNDGVAYHZYLZQO-UHFFFAOYSA-N 454.556 1.745 30 10 JDEE CCC(O)(CC)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1497440289 HWXIROXKHBXBQS-HZPDHXFCSA-N 453.551 1.157 30 10 JDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOC(C)(C)C1 1502207984 BAPBWOUQBVKEGH-UHFFFAOYSA-N 460.604 1.798 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2CCCCS2(=O)=O)c1 1507550372 YPGOOFAMDWQXNX-LJQANCHMSA-N 479.566 1.759 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1507738474 POEUXRCDJKXEJN-QHCPKHFHSA-N 490.612 1.956 30 10 JDEE C=CCCCn1c(Cc2ccccc2F)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1507950661 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1539915532 BTFPBTJVHAGUJC-LJQANCHMSA-N 492.650 1.721 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1540868843 TYISUSNWWWVIFF-INIZCTEOSA-N 453.551 1.965 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1540870004 BZHQLYTWGSPDKU-SJORKVTESA-N 496.634 1.318 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1540899544 RQPLOMHJQTVEHV-QGZVFWFLSA-N 483.616 1.452 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(NC(C)=O)CC1 1540899965 GTSUXNHSXHKKOX-UHFFFAOYSA-N 475.571 1.422 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](COC)C1 1540901630 KSLSZTXGMMUEMF-KRWDZBQOSA-N 486.598 1.656 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CN2CCCCCC2)CC1 1540902577 MIFIACDZLUTHLR-HXUWFJFHSA-N 478.663 1.922 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1540905216 RQUJECLJPVPWHO-KURKYZTESA-N 481.619 1.686 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1541115957 HLZIXVGBILWLFP-NJDAHSKKSA-N 485.658 1.987 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCOC[C@H]1C 1545918021 CMCFABGTNJWOLN-LJQANCHMSA-N 495.632 1.510 30 10 JDEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](c2ccco2)C1 1555818640 DFHJZVASYVZWOO-KRWDZBQOSA-N 456.528 1.865 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1588024568 GZNIGZQEJDPRIH-MRXNPFEDSA-N 462.601 1.148 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC1(S(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1588040262 KXIWOVJIECCVJF-QGZVFWFLSA-N 483.015 1.802 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCNS(C)(=O)=O 1588094181 UCBNZDUKLYNUER-UHFFFAOYSA-N 454.325 1.469 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(F)c1 1588233158 BTAQBUNVLBBMLM-HXUWFJFHSA-N 475.546 1.270 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC[C@H](OC)C(F)(F)F)CC1 1588962349 ZYWOUAAPUCIALD-INIZCTEOSA-N 470.496 1.334 30 10 JDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(=O)N(C)C[C@@H]1C 1589070055 QEFVJLGXRHAHSW-KRWDZBQOSA-N 454.604 1.485 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)COC)CC1 1589567076 ABQXWTJWRBTOEZ-UGKGYDQZSA-N 457.579 1.416 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1593636358 JIMFNRRICNSTPW-NRFANRHFSA-N 491.614 1.810 30 10 JDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1595314421 WMKXYYIHZFHELJ-LJQANCHMSA-N 471.993 1.790 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1595658749 JLZSBSIARVFDBM-RBUKOAKNSA-N 494.639 1.807 30 10 JDEE CCCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1614314747 AGRYSXYJWCNEKG-UHFFFAOYSA-N 495.584 1.473 30 10 JDEE COCCN(C)CCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1619880672 ATLZYCHDDYGRTB-QFIPXVFZSA-N 453.591 1.554 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2CCS(=O)(=O)CC2)cc1 1620351544 ASWBFQVSZCPUTO-OAQYLSRUSA-N 458.519 1.996 30 10 JDEE CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1CC[C@](F)(C#N)C1 1645296331 DXYNTIZHFYQXPE-FQEVSTJZSA-N 454.524 1.371 30 10 JDEE COc1ccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1C(=O)N(C)C 1668498288 DVOUVBJIIDCCBV-XJKSGUPXSA-N 452.533 1.434 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n1 1677108539 CRDOJFVSTWSNPX-FQEVSTJZSA-N 452.559 1.576 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn(CCCCC)nc1C 1689852639 IKPJQCXKMCUXLU-FXAWDEMLSA-N 477.635 1.812 30 10 JDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCS(=O)(=O)C1 1689949246 WGWGECGZJRVCPJ-OAHLLOKOSA-N 450.590 1.051 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1689979967 JVBQEFQRYRUVJJ-WBVHZDCISA-N 473.534 1.361 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 1689988349 NGPZCGKUKRSDBI-IBGZPJMESA-N 460.510 1.826 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1689988723 VCUZEMYVWFHXGN-FQEVSTJZSA-N 479.566 1.563 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN(CC)CCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689989285 CTQZYLCKMZXWGE-SJORKVTESA-N 477.553 1.683 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689994470 YXMMNGNKYQGQNE-YKSBVNFPSA-N 472.611 1.860 30 10 JDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1690170776 QDMGMGXSVLWBRU-UHFFFAOYSA-N 462.583 1.835 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1690181390 WYGITTSKULAUGJ-IBGZPJMESA-N 487.674 1.336 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1690299268 LLSZNDZPAGASRK-OAQYLSRUSA-N 459.639 1.712 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1690720630 OIGPRCIRILXAED-KRWDZBQOSA-N 474.587 1.595 30 10 JDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCS(=O)(=O)CC1 1691334633 BWUQIHDNATZYRQ-RCCFBDPRSA-N 451.593 1.750 30 10 JDEE CC[C@@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)CCO1 1694446592 FJVXGIRMRGICFS-DEOSSOPVSA-N 451.575 1.986 30 10 JDEE COc1cccc([C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)N(C)C)c1 1697502292 BJQWWEZYFRBIAC-WOJBJXKFSA-N 453.547 1.441 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(c2cccc(F)c2)CC1)[C@H]1CCS(=O)(=O)C1 1705558860 KJLCSGNTCIXSEY-IBGZPJMESA-N 473.574 1.914 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1cc(C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1705559212 UMVKANIITVMQCP-HXUWFJFHSA-N 485.610 1.701 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCC[C@@H]1NC(=O)NC1=O)[C@@H]1CCS(=O)(=O)C1 1705561594 RUQDGFLIQIEBPI-SJORKVTESA-N 490.973 1.213 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1CC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1705561817 UOXGQSFIVQIABU-PGRDOPGGSA-N 450.605 1.993 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1705567904 BWZYUTIBVAOYRN-LJQANCHMSA-N 470.603 1.165 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1705569583 IKJMYZHRUIWPBN-CRAIPNDOSA-N 478.644 1.565 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705570852 UKUCMNBPHIXDID-CMKODMSKSA-N 463.648 1.745 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(C)C)cs1 1705612769 OSVGIBHNPNURIM-INIZCTEOSA-N 452.606 1.699 30 10 JDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCOCCOC)CC1 1705638526 NJYIPJCKSVOHBH-UHFFFAOYSA-N 451.531 1.402 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(=O)NC)C1 1705662290 VMCJBGTYQMVTJF-HXOBKFHXSA-N 492.646 1.915 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1705829939 GPDLDOCVMJPFOX-LQWHRVPQSA-N 453.609 1.973 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C2CC2)CC1 1705829976 HIEMDLQXECEKEX-QGZVFWFLSA-N 451.593 1.268 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN2CCOC[C@@H]2C1 1705895746 QQPMFOSQQCOVFA-HNNXBMFYSA-N 479.354 1.670 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2CCOC[C@H]2C1 1705906366 BNSTUCXDSDTYBO-HXUWFJFHSA-N 468.602 1.978 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@H]1COc2ccccc2O1 1705907293 HJYUAHUCLFSZTB-INIZCTEOSA-N 482.566 1.848 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)CNC(=O)C2 1705912179 BSVZHFAXDLWRGP-QGZVFWFLSA-N 488.614 1.608 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(N2CCNC2=O)CC1 1705935812 DJHRXEKEFFWEQR-QGZVFWFLSA-N 452.581 1.115 30 10 JDEE Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2ccc(C#N)cc2)no1 1707295914 DEUCOULROGZCSY-LJQANCHMSA-N 471.543 1.464 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CC(OCC)C1 1722276264 DDZOXQDJRZHGFO-RMQYNXQMSA-N 460.604 1.935 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2snnc2C)c1 1722310330 UIWUWXKXASRELU-INIZCTEOSA-N 450.528 1.494 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722365313 NHVRFFRKOIGWJZ-AOIWGVFYSA-N 479.628 1.319 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1722367671 XABCUDNWCACFLZ-GCJKJVERSA-N 471.608 1.860 30 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1.291 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1722700119 XLKYHMJXBMJEQN-IBGZPJMESA-N 480.548 1.708 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCN(C(C)=O)C2)n1 1740689557 YCDXPWJJRICGSH-RTWAWAEBSA-N 469.590 1.523 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(OCC(N)=O)c1 1740736896 ZKGOOYQKIVESCU-NSXLHWASSA-N 453.543 1.907 30 10 JDEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1740835758 CJIJGQVVLFFKNY-QFIPXVFZSA-N 462.572 1.914 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc2c(c1)OCO2 1740900042 SUTSBDCHJVZQDH-LJQANCHMSA-N 477.587 1.940 30 10 JDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCC[C@H]1C 1741517367 BBDWOFUYLSNNDO-DXIQSLLYSA-N 482.651 1.928 30 10 JDEE CC(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 1741551665 AAXDBRFXDNPTQY-OAQYLSRUSA-N 487.630 1.855 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCN1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 1748817664 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JDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1760504054 UPARBGQHYMZJEK-UHFFFAOYSA-N 479.463 1.509 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1760510427 XQPCUFPQTILBJS-UAGQMJEPSA-N 453.590 1.825 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1760518403 UBRMQTGXTZYIQV-UHFFFAOYSA-N 478.557 1.690 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)cc1 1760554576 HKDSNGSPOQTTKI-QGZVFWFLSA-N 468.601 1.426 30 10 JDEE CCn1cccc(Cn2c(COc3ccccc3OC)nnc2N2CCO[C@@H](C#N)C2)c1=O 1766970629 AQFLLQNVOUMGSB-SFHVURJKSA-N 450.499 1.824 30 10 JDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 1858974036 FQLGXWYFCZIITH-UHFFFAOYSA-N 498.561 1.596 30 10 JDEE C#CCOc1cn(CCN2CCOCC2)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1=O 1870560994 UUWDKNPHIQNZBZ-UHFFFAOYSA-N 494.592 1.239 30 10 JDEE C=CCN(CC=C)c1nc(=NCCCn2ccnc2)nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]1 1871508297 VWEFYLWZTLMWMO-UHFFFAOYSA-N 469.575 1.562 30 10 JDEE 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CKUFLNBURQQNFY-UHFFFAOYSA-N 454.961 1.553 30 10 JDEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 1197220068 KWUBVADINCHSTC-FCEWJHQRSA-N 451.545 1.973 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286391140 GHDIWDWNSHCQRZ-LJQANCHMSA-N 483.598 1.012 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H](C)CN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1286393748 RTWWEAMQXLZCRW-JTHBVZDNSA-N 490.718 1.911 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1286394549 OSQFZNIUUHDHHJ-JKSUJKDBSA-N 450.590 1.201 30 10 JDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N2CCOCC2)CC1 1286448458 VFMBJDVWXUGZAB-LJQANCHMSA-N 474.606 1.911 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2oc(CC)nc2C)CC1 1286472747 FEACRWYSNORCBB-UHFFFAOYSA-N 497.625 1.858 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N1CCOCC1 1286742508 QKHIMHJXVGZTAU-HXUWFJFHSA-N 484.582 1.103 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1286790480 SLYSOTORPFPIFC-KRWDZBQOSA-N 456.572 1.666 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1286791464 ZZKLCHMCJAQJGZ-XMMPIXPASA-N 480.594 1.978 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1286792446 YAPPCAAMKIGWKK-UZUQRXQVSA-N 452.515 1.415 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(N(C)C)Cc3ccccc3C2)C1 1286799933 CIYAKVDWNOZHPM-GHTZIAJQSA-N 488.658 1.769 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1286820059 CYTONGDJZWFTEA-MSOLQXFVSA-N 482.603 1.914 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1286820511 MOPWWELASAZBGI-IBGZPJMESA-N 461.588 1.769 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC2(CCN(C)C2=O)CC1 1286821793 VGLUPAQFGQCVFR-UHFFFAOYSA-N 458.588 1.313 30 10 JDEE CC(C)OCCS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C2CC2)CC1 1288414978 CKROYNYHZNVLTG-UHFFFAOYSA-N 474.587 1.940 30 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1.678 30 10 JDEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N(C)CCS(C)(=O)=O 1300741467 XMQQEWVFHYCYMG-UHFFFAOYSA-N 460.423 1.893 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1300764611 YMRGWTIYIHVVIE-MRXNPFEDSA-N 481.047 1.922 30 10 JDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1300983878 RKPQBDIUUIXEJW-UHFFFAOYSA-N 453.547 1.204 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1301222659 BZTHSNSFGQYISK-GOSISDBHSA-N 452.625 1.137 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1301477691 CZWIVQDECZIPOA-UHFFFAOYSA-N 477.610 1.992 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1301481374 KVYOOYLZLVTVOG-YJBOKZPZSA-N 485.520 1.332 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1301510608 ZDEBXSYUNWMVKD-FQEVSTJZSA-N 495.563 1.981 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1301576060 QUMANSRMGPCQLC-OALUTQOASA-N 494.639 1.812 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1301585240 IZPKOZVGIMUSAG-HRCADAONSA-N 482.607 1.179 30 10 JDEE N#C[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CCN2CCCS2(=O)=O)CCO1 1303001507 BRLRPDSSOJWSFX-AWEZNQCLSA-N 499.366 1.611 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)c1 1358901960 BOVYMZKTACPLHI-AZUAARDMSA-N 486.598 1.262 30 10 JDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1358927155 OTMNVVSETBVQKX-UHFFFAOYSA-N 468.587 1.615 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1358966552 RLCQQMCDXIJGGQ-DOTOQJQBSA-N 476.628 1.596 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1358976493 GMPSUTQGRKWIME-IQGLISFBSA-N 460.538 1.849 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCN(C)C1 1359255297 UJKJHPXSLSQMHF-XMMPIXPASA-N 454.575 1.668 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)CCO1 1359446475 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1507739831 LBWOYFPHMHSMLE-UHFFFAOYSA-N 457.604 1.372 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCCC2)CC1 1507751524 OYRXATFWNNTZLY-HXUWFJFHSA-N 496.703 1.432 30 10 JDEE C#CCSCCn1c(C2CCC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1507756274 YSVKMPNHDPSTTG-SFHVURJKSA-N 453.634 1.543 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)NCC)CC1 1507774665 AMRDITDGYSTWQM-UHFFFAOYSA-N 470.416 1.363 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507825191 QIYSFLLSNKCNBQ-UHFFFAOYSA-N 474.587 1.499 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C[C@H]2CCOC2)CC1 1508085264 FYCWPQAAYLMXQM-LJQANCHMSA-N 454.575 1.338 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2oncc2C1 1508160236 DCAHBOQORLTIJS-INIZCTEOSA-N 454.578 1.081 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCNC2=O)CC1 1508160275 FGAPXEPUYMYVDW-INIZCTEOSA-N 468.649 1.484 30 10 JDEE CC(C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)N1CCOCC1 1508868702 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C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC2(O)CC(OCC)C2)CC1 1588947895 YCGFWMUCSFRXKM-UHFFFAOYSA-N 469.561 1.904 30 10 JDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1589042765 NDDHXCKFUZDGAM-SFHVURJKSA-N 478.644 1.281 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1593636381 KJTXHEGKEJBFMV-SFTDATJTSA-N 474.631 1.898 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncc(F)cn2)CC1 1593747300 UEFOBNZKOMDTDM-INIZCTEOSA-N 465.555 1.029 30 10 JDEE C=CCCCCn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1[C@]1(OCC)CCOC1 1594661977 YMVWDAKTFMLTPX-QHCPKHFHSA-N 460.579 1.214 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1595467125 QJJUPDLJEWCGGA-UHFFFAOYSA-N 471.537 1.491 30 10 JDEE C=CCNC(=O)Cn1c(N2C[C@H](CC)[C@H](N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595595143 SUGOYEGXARNQPS-DCLXLUIPSA-N 476.622 1.168 30 10 JDEE CC(C)C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)N(C)C 1603223303 DUNSSJZKJYQCJR-UWVAXJGDSA-N 471.603 1.029 30 10 JDEE C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](O)CC[C@]34/C=N/NCCO)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 1614467853 KRTLUNZEHYQHDL-AFBFNYQTSA-N 462.587 1.267 30 10 JDEE Cn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)C(C)(C)C)c2ccccc2c1=O 1618488001 GLVBJHYNPHUWHK-HNNXBMFYSA-N 464.530 1.083 30 10 JDEE C#CC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)C(=O)OC 1626187869 KPAJBFGELCQEIM-BBRMVZONSA-N 457.346 1.531 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2c3ccccc3OCCN2C(=O)OC(C)(C)C)CC1 1634876447 PQUPIFUTCUCLAE-NRFANRHFSA-N 456.543 1.251 30 10 JDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCc3ccc(S(N)(=O)=O)cc32)CC1 1644900747 FECXZKYHESLOKB-OAQYLSRUSA-N 457.531 1.245 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)CC1CC1 1689850853 IHABJRRPFDMDMM-KRWDZBQOSA-N 457.604 1.735 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1689930153 LNXKIOLWRGXTSX-HXUWFJFHSA-N 475.571 1.780 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1CCN(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1689996239 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C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1705570304 OGPKHUYIEOMQRP-RTBURBONSA-N 496.559 1.775 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705571416 ZIQILUMILZOVRO-PBYQXAPXSA-N 463.629 1.438 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)CN1CCN(CC)CC1 1705580461 JMYCBHIIQJRQGQ-OAQYLSRUSA-N 486.624 1.538 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCO[C@H]1C 1705628365 DXKKUSRWJZVDCC-FDDCHVKYSA-N 455.563 1.078 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1705632126 INLYOLQUFIDFFO-QFIPXVFZSA-N 494.644 1.818 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2cccc(OC)c2)CC1 1705647622 HZKQYHCKDYARJG-HXUWFJFHSA-N 480.569 1.186 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1705649458 YMVZKNBCPWKSLE-UHFFFAOYSA-N 474.569 1.395 30 10 JDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1705728113 WIENQTNIEXPONH-UHFFFAOYSA-N 458.588 1.878 30 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489.598 1.499 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1722359284 KTPOTPPPQBZFMS-IBGZPJMESA-N 484.582 1.876 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1722368442 RRCPOBUUQALRGF-DYESRHJHSA-N 453.678 1.931 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722368627 SHJJOUFJPUEUDL-MSOLQXFVSA-N 487.582 1.116 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C/c1ccccc1 1722396736 KFEZFPFNYMEEGF-QYFOZDBKSA-N 453.568 1.787 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1F 1722427700 XYZXGRUDDPHDJT-SFHVURJKSA-N 469.514 1.024 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1722450317 DAAGFXRATQZQCK-FQEVSTJZSA-N 499.637 1.956 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(C1)OCc1ccccc12 1722453111 ZFBRKNIEQVFXAN-IERDGZPVSA-N 461.613 1.891 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1722505812 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C#CCN(c1nnc(Cc2ccccc2C)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1740626537 VLQNYUFRVLSXAX-KRWDZBQOSA-N 465.526 1.185 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)CN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1740628083 NBHJRXXTTBSOQS-PWRODBHTSA-N 478.663 1.030 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1c(F)cccc1F)N(C)C 1740630163 GGGDSVVLZNUPSH-MAUKXSAKSA-N 464.542 1.542 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(CC)cc1)N(C)C 1740640609 RBHBZLWPQJXSND-PKTZIBPZSA-N 498.653 1.549 30 10 JDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN1c1cc(NC)ncn1 1740641163 DPWQVXRSRNXVMD-HXUWFJFHSA-N 458.574 1.713 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1740706150 RTEXCRVKAHNLQP-RTWAWAEBSA-N 458.607 1.105 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1740706331 VUPUSJBSZGZDGH-NRFANRHFSA-N 457.667 1.716 30 10 JDEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@](C)(C(N)=O)C1 1740711307 LVIAJGYHLRSXME-OAQYLSRUSA-N 475.644 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C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCC(C)(C)C2)CC1 1690375623 PIIOJMZSORQSEG-IBGZPJMESA-N 466.652 1.889 30 10 JDEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1690504095 YHUPTCIKACWUES-UHFFFAOYSA-N 498.584 1.054 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)C)CC1 1690682437 OOHQCKVVFBZJAK-GOSISDBHSA-N 490.630 1.806 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 1690686838 UXVNWJDTQLKDRX-LPHOPBHVSA-N 491.618 1.811 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1690717422 FRIKABOCYCFINU-PMACEKPBSA-N 457.556 1.802 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1690725248 JRVPZAPATSZWOR-UHFFFAOYSA-N 484.557 1.857 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ncccc2F)CC1 1696592558 CDHCSUNLMQGQIQ-UHFFFAOYSA-N 478.532 1.640 30 10 JDEE CN(C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1)S(C)(=O)=O 1696651573 COUPLPQWHQURAB-FQEVSTJZSA-N 490.586 1.004 30 10 JDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)CCN1S(C)(=O)=O 1698453622 GEXBVDSFFCXPJG-INCQDFKNSA-N 462.601 1.198 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(N2CCCCC2)c1 1705495859 WXBOVZLOICEDLT-UYAOXDASSA-N 487.630 1.503 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705506408 XVFVSXHCINKPCJ-XWTMOSNGSA-N 480.635 1.788 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CC2(C(N)=O)CCOCC2)c1 1705507699 JAKSACXNMKPUNL-UHFFFAOYSA-N 450.543 1.569 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(F)cc1C)[C@@H]1CCS(=O)(=O)C1 1705561812 WPTZZAALZYBCNT-VQIMIIECSA-N 497.618 1.205 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 1705564405 BZWLCRCPVISCIH-DLBZAZTESA-N 450.511 1.930 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H](OC)C(CC)CC)CC1 1705639399 NEZWFAKENJQEEK-WOJBJXKFSA-N 451.637 1.777 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1705642319 PDDKNAKRKFYGJF-VXKWHMMOSA-N 477.613 1.983 30 10 JDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705811280 VAFDFJQCFBJSLR-UHFFFAOYSA-N 466.546 1.163 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)OC 1705860355 HRSGCTVKSOJVDI-FXAWDEMLSA-N 474.587 1.710 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1705898413 KWQMVTDGQHYHIP-LJQANCHMSA-N 454.575 1.805 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1705907131 AVHCYHRLPOIVEE-UHFFFAOYSA-N 462.558 1.291 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1705932512 VKOBKUNOMNLLPP-UHFFFAOYSA-N 483.598 1.678 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1705936591 URGLBUCCDQYYJX-CEXWTWQISA-N 455.625 1.666 30 10 JDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1711294199 BKQMWKYEGUNMOH-QGZVFWFLSA-N 453.547 1.593 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCO[C@@H]1C 1712442539 BAVYNOGOADDUAA-KOSHJBKYSA-N 468.558 1.465 30 10 JDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCOC[C@@H]1OC 1722355705 BETDJEWDQKLNMR-GGAORHGYSA-N 452.603 1.764 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(C(OC)OC)c1)[C@H]1CCS(=O)(=O)C1 1722358244 FIGQFOLMWKCTGZ-IBGZPJMESA-N 489.598 1.383 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCC(=O)N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1722363214 ZINPUDSKUSHQSE-IBGZPJMESA-N 472.615 1.703 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1722365448 OEUNIFIIQADWDU-LAUBAEHRSA-N 454.593 1.370 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1722366903 SZLISMZFXSQWJL-FKBYEOEOSA-N 472.611 1.856 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C)C1=O 1722381519 RBTAKXBYAFHKEL-UUOWRZLLSA-N 454.575 1.944 30 10 JDEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1722457670 JNFIZZATJHSBDJ-MRXNPFEDSA-N 465.583 1.708 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)CCC)C1 1722490562 AQJDZGJYVOLTAB-XSYGEPLQSA-N 482.651 1.755 30 10 JDEE C=CCn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722691306 RPKJLOSKSSOBMG-FZNQNYSPSA-N 454.597 1.753 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(Cc2cccs2)CC1 1722702064 JTXQZOQVPSBBAH-UHFFFAOYSA-N 485.639 1.956 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1722729308 IWTDUWFJGOMKAO-VQIMIIECSA-N 480.660 1.392 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CCOCC1 1722751242 ROZVYABZNMKVFJ-UHFFFAOYSA-N 482.628 1.812 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1723660021 BHWHIAWRAFSXIV-UHFFFAOYSA-N 476.607 1.793 30 10 JDEE CCN1CCN(C2CCN(c3nnc(-c4cccc(C#N)c4)n3CCS(=O)(=O)NC)CC2)C1=O 1728624356 CHZCFWKGLGXJBW-UHFFFAOYSA-N 486.602 1.092 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccc(F)cc1 1740553724 UGPKVNLKAZWDJU-BXWFABGCSA-N 465.551 1.676 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1740617471 RLRJTOJGDKKQQH-WMZOPIPTSA-N 469.633 1.406 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(=C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740624092 FLXVPDQYPIRLIO-HXUWFJFHSA-N 453.568 1.741 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC(F)F)OCO2 1740645718 KVHSTEPOCCRQGB-AWEZNQCLSA-N 495.508 1.730 30 10 JDEE C#CCN(CCOC)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(O)CCN(C)C1 1740687893 IIALLRNBWSNWFT-OAQYLSRUSA-N 478.391 1.772 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1740691012 RXNQZNUBKDWJBH-ZWKOTPCHSA-N 474.528 1.020 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cn(CCCC)nc2C)CC1 1740706019 OYQLDCAIVJECMI-HXUWFJFHSA-N 466.590 1.548 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1740764160 AUFCHRSOUMJUNM-PJVZLEMVSA-N 456.609 1.853 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1740833727 WWKGJIZZBLZNEN-INIZCTEOSA-N 496.659 1.589 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc(CC)nc1C)C1CC1 1740910497 OHUPWZKMTSKTPI-QGZVFWFLSA-N 450.565 1.673 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@](C)(CC)C1 1740958699 GBPVLQHLNRAFTF-HSZRJFAPSA-N 451.531 1.500 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(F)(F)F)C1 1740959714 DBMOCTMHYTZEKH-HOTGVXAUSA-N 453.421 1.860 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1740963249 FPBHNCAUOJSXPZ-UHFFFAOYSA-N 468.606 1.813 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)c2nccs2)C1 1740979706 FMHGSKNSTQWSJW-ZACQAIPSSA-N 482.632 1.653 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740989499 OTENIVNFWSESTC-HNNXBMFYSA-N 488.035 1.669 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1740992226 NFNYXFZKJDOTHV-HXUWFJFHSA-N 479.647 1.858 30 10 JDEE CC(C)(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1741241892 APYOBCLLFKSZAF-UHFFFAOYSA-N 494.643 1.548 30 10 JDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1747543813 GBAHHYUPIBGAAN-UHFFFAOYSA-N 471.525 1.410 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2ccnn2C)CC1 1747603359 IBKIWJYVUXNGCD-UHFFFAOYSA-N 468.587 1.826 30 10 JDEE COc1cc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)ccc1OCCO 1748543640 FCSVXFNVHVXRGL-QFIPXVFZSA-N 458.494 1.270 30 10 JDEE COc1ccc(Br)c(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCO[C@@H]2C)c1 1748587641 ACNPVQGTRHCEPL-RCDCFZSISA-N 478.347 1.985 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1748698135 CCHIMTJXNYSIAY-OALUTQOASA-N 452.625 1.240 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCOc2ccccc21 1748790822 MYZCCOCMVBHBKB-FXAWDEMLSA-N 459.572 1.637 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)cc1OC)[C@H]1CCS(=O)(=O)C1 1748814896 LDFMXSSSQALTBS-ZWKOTPCHSA-N 457.556 1.221 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1748816433 ZUJUGYQCTGOPHU-OALUTQOASA-N 457.556 1.294 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1748887231 YKAUGIMSFIONIS-UHFFFAOYSA-N 497.563 1.681 30 10 JDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@@](C)=O)CC1 1748930044 WMEFGZUXUNZSOV-RKXCMPKHSA-N 451.593 1.957 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@]2(O)CCO[C@H]2C)CC1 1748977907 DUKWMAKXOUIEEE-YWZLYKJASA-N 463.380 1.341 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1749015933 SLEXEOYGVFERSI-FQEVSTJZSA-N 499.637 1.956 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2csc(C)n2)CC1 1749193365 GTHFRVDXABJAKP-SFHVURJKSA-N 481.648 1.274 30 10 JDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1749252573 SKVCAJYBDOTGNH-CVEARBPZSA-N 488.058 1.210 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCSc2ccccc2)C1 1750211272 HONJCQPRBMCUKY-XLIONFOSSA-N 480.591 1.845 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@H]2CCS(=O)(=O)C2)c1 1760127690 IQZUQUFTGXISQB-HXUWFJFHSA-N 478.578 1.755 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1760191137 BKKPPPYFZHEEFL-LJQANCHMSA-N 471.583 1.318 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CCCCC1 1760220346 ZPGXEYIGWPGGRN-NZQKXSOJSA-N 477.631 1.405 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1760272307 FWQVDKFTKRWVGF-LJQANCHMSA-N 457.604 1.599 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1760450656 PFHLWQYOERHFNO-KURKYZTESA-N 457.597 1.207 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ccccc3OC)CC2)nnc1[C@@]1(OCC)CCOC1 1760529023 UKLRLXKJRQOMGD-XMMPIXPASA-N 470.574 1.568 30 10 JDEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)C1 1767673331 FWSGNGVFCIDEST-GOSISDBHSA-N 467.574 1.996 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1771099907 DAVRQQJPSRVYIS-HXUWFJFHSA-N 496.597 1.684 30 10 JDEE N#Cc1nnn(-c2cccc(Cl)c2)c1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870155334 HYKKCBMIIUGGMI-UHFFFAOYSA-N 451.786 1.935 30 10 JDEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3/N=C/c3ccc(O)c(O)c3)CC2=O)cc1 1874199851 YUNVSTBVWCFYHS-AKRDWEBESA-N 482.522 1.678 30 10 JDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1892355328 BQBZQYHNWYUNTR-FQEVSTJZSA-N 484.538 1.753 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CCN1C(=O)OC(C)(C)C 2255753170 PYZYDIYBEFNCKK-CYBMUJFWSA-N 456.374 1.007 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256623165 BKIQLKYQRHZECL-DOMZBBRYSA-N 453.370 1.741 30 10 JDEE C[C@H]1C[C@@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN1Cc1ccccc1 2267710642 YTDWOPVOASOHEF-FUHWJXTLSA-N 460.409 1.661 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2267718135 OOFRMGJYZPNJFD-LSDHHAIUSA-N 488.437 1.696 30 10 JDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2268650103 HGEXFMQJONKDOF-UHFFFAOYSA-N 451.304 1.704 30 10 JDEE CC1(C)OB(c2cc(C(=O)N[C@]3(C(=O)O)CCN(Cc4ccccc4)C3)ns2)OC1(C)C 2269049794 JTEGENXSJJBRTM-JOCHJYFZSA-N 457.361 1.901 30 10 JDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 2281223197 LHCMIDWSDFUIPL-UHFFFAOYSA-N 478.590 1.831 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)n1 2281991729 FGKQSLGYESGKDA-CABCVRRESA-N 464.372 1.302 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)C[C@@H]2[C@H]1CO 2282010768 YOGODOOCVQWCHD-OFQRWUPVSA-N 479.408 1.742 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 2282331496 OKUJPPBWZVLPNM-HNNXBMFYSA-N 484.428 1.645 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282343109 CEMGDCOZEVYXDE-GASCZTMLSA-N 484.428 1.738 30 10 JDEE CC(C)(C)OC(=O)NC1(C(N)=O)CCN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2282516869 LYPDMHSBQKVUBY-UHFFFAOYSA-N 480.396 1.427 30 10 JDEE CC(C)(C)OC(=O)N1CC(CCO)(CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2282519924 NZRBZTAFJPORRW-UHFFFAOYSA-N 461.368 1.730 30 10 JDEE Cn1cc(C(=O)N=[S@](C)(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282589277 LOQHILPKFDNICX-RPLXOIEJSA-N 482.412 1.967 30 10 JDEE C[C@@H]1CCCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)[C@H]1CNC(=O)OC(C)(C)C 2282619597 SZQAVFJDTTYXCI-CABCVRRESA-N 463.388 1.880 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CCC(CNC(=O)OC(C)(C)C)CC2)n1 2282621453 RXBPAUDMLGTISJ-UHFFFAOYSA-N 463.388 1.928 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C2(CNC(=O)[C@@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)COC2)CC1 2282645841 LJADFRXCLPHMSK-SJORKVTESA-N 465.400 1.907 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C 2282701338 XBIATXVWQIOWMF-YJNKXOJESA-N 461.372 1.536 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2282818550 KCBZSEMVLFWZTR-KDOFPFPSSA-N 462.352 1.649 30 10 JDEE Cc1nc(S(=O)(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282844010 WIXJLZUXGWTLOW-VQIMIIECSA-N 474.436 1.827 30 10 JDEE CC(C)(C)OC(=O)NCc1cn(CC(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)nn1 2283964612 OFDYOVDBDBLOSH-UHFFFAOYSA-N 478.384 1.375 30 10 JDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2343639378 RORVCGGTMUPVKE-KBPBESRZSA-N 452.336 1.749 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC12COC(CNC(=O)OC(C)(C)C)(C1)C2 2362339710 YGJRNKNVJSMVCF-UHFFFAOYSA-N 462.356 1.275 30 10 JDEE C=CCN1C(N)=C(C(=O)OCC)[C@@]2(C(=O)OC(CC(=O)OC)=C2C(=O)OC)c2ccccc21 20609273 VVTKJGDSYCCRFT-HSZRJFAPSA-N 456.451 1.211 30 10 JDEE COCCNC(=O)CN1CCN(/C(=N/c2ccc(C(=O)O)cc2)NCc2cccc(OC)c2)CC1 21047166 UQPAEXNKWIQQID-UHFFFAOYSA-N 483.569 1.551 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCC(=O)Nc3ccc(F)c(F)c3)cc2C1=O 27566913 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C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1286459170 LESBCRHHSCNXQD-UHFFFAOYSA-N 453.494 1.925 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CC(=O)N1CCN(c2ccccc2)CC1 1286463730 LHGRIRDZEZWFST-UHFFFAOYSA-N 459.554 1.775 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC(=O)NCC2CC2)CC1 1286474266 GLPLZLJEKUCYFE-UHFFFAOYSA-N 487.402 1.998 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@](C)(O)c1ccccc1 1286521643 BLRIUGKEBFDHEL-ZTCOLXNVSA-N 487.626 1.901 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1286785003 BFGPCJHEGOPKME-UHFFFAOYSA-N 451.506 1.687 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(Cn2ccnn2)CC1 1286791031 MEXYQEZXEMPBIC-UHFFFAOYSA-N 456.501 1.957 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2nc(CC)ns2)CC1 1286819836 XIOVVAQRXFZRFO-UHFFFAOYSA-N 451.622 1.887 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1300363841 HDXRDZADFWXPFU-NFBKMPQASA-N 491.589 1.652 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCO[C@@H](C)c1ccccc1 1300464777 IDXRZQFQGLMPNR-ICSRJNTNSA-N 461.588 1.848 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCNC(=O)c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1300487416 JESSEHICDSMNMC-HXUWFJFHSA-N 494.577 1.405 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300487431 JIEPRLSXOUWQGD-QGZVFWFLSA-N 460.556 1.122 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300487459 JSJIQVDJSJEBJG-IBGZPJMESA-N 485.610 1.983 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1300488301 CRAXGYWLCDMZNZ-RZFJCUDFSA-N 469.567 1.373 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N1CCCC1 1300671701 MQGLVRQBDQSSLT-RTBURBONSA-N 461.588 1.696 30 10 JDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1300951968 BXFCGYZLDHPPPY-IXDOHACOSA-N 465.551 1.523 30 10 JDEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1300990857 IJUXYLDZIUYPIG-LJQANCHMSA-N 481.557 1.219 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1301498833 UMLLVLZNVJJZGC-HUUCEWRRSA-N 473.603 1.863 30 10 JDEE C[S@@](=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)CCC1 1302504416 BFCQQXPETGSIQF-JGCGQSQUSA-N 456.572 1.589 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CCCS1 1303860496 AWMMLJXIUJPVDS-SJLPKXTDSA-N 475.644 1.982 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1358964651 CVIDSIQDHOOWQH-WMZOPIPTSA-N 458.613 1.895 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1ccnc(C(C)(C)C)n1 1358968884 BKHQLDVAFHYTKK-KRWDZBQOSA-N 457.604 1.681 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)NC(C)C 1358992046 XVAPUOFNCRWQSW-UHFFFAOYSA-N 495.609 1.466 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3ncccc3c2)CC1 1359029422 XIEJVRCMCJQGRG-KRWDZBQOSA-N 453.572 1.240 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1359045267 BCXZGYQGWWZFJK-UHFFFAOYSA-N 499.015 1.770 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1359048659 YGUMHLZPLGIYDA-UHFFFAOYSA-N 451.600 1.977 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1359132151 OMUUZVUTOCSOSL-OAQYLSRUSA-N 459.639 1.817 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1359293870 CAWOIYRVEZHJRA-SFHVURJKSA-N 470.574 1.423 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)nnc1C(C)(C)C 1359305479 DQIPDWPGXMVFTI-RTBURBONSA-N 459.639 1.504 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(CC(=O)Nc3cc(C)on3)CC2)nnc1C(C)(C)C 1359335475 MNHAXKAPGOJAJR-UHFFFAOYSA-N 479.607 1.234 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1359351319 GLJZZQKHYDRLSJ-UHFFFAOYSA-N 458.526 1.806 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@H](C)CC#N)CC1 1359400131 BNTBBJLNAPNZPK-QGZVFWFLSA-N 473.603 1.251 30 10 JDEE Cc1ccc(C(=O)NCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cc1F 1361120015 DRKJCZJPDNSSBF-SFHVURJKSA-N 474.562 1.798 30 10 JDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1)c1ccccc1 1478897653 YTNIVOBJKCTXAH-GOSISDBHSA-N 454.508 1.408 30 10 JDEE CC[C@H](C)NC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1496268496 FODMOMYFJZAOSW-WMZOPIPTSA-N 469.594 1.327 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccccc2C#N)CC1 1503406266 HOOYKEZRMGGQRJ-UHFFFAOYSA-N 454.560 1.363 30 10 JDEE C#CCCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507556705 KVFHIJSPWXDFLG-RBUKOAKNSA-N 480.569 1.767 30 10 JDEE C#CCCCCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@]1(OCC)CCOC1 1507576619 YTTQWKXTSJGXCD-RDPSFJRHSA-N 458.607 1.477 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1507630497 AGBVCZJPFNLYRK-HXUWFJFHSA-N 493.593 1.306 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(S(C)(=O)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1507635301 RMGQDYVCYUKHBP-QGZVFWFLSA-N 497.668 1.228 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc(C3OCCO3)c2)CC1 1507721151 ZGZSCQVGJDBZKT-IBGZPJMESA-N 455.559 1.851 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1507732626 QQWYTVKTQKLLGV-XMMPIXPASA-N 482.629 1.978 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C)cc2F)CC1 1507734174 SPIGPLYINQSQHZ-UHFFFAOYSA-N 452.534 1.976 30 10 JDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1507754379 CYEDTNWYHCSRHQ-UHFFFAOYSA-N 450.568 1.922 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1507832139 PHSJDXVZBKDMRO-IBGZPJMESA-N 472.575 1.404 30 10 JDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507846687 UDJCQBOOVMTIEL-UHFFFAOYSA-N 459.576 1.747 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)C(C)C 1508013293 NPNFMIHXDJDMSJ-FUMNGEBKSA-N 471.606 1.863 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1508130946 JLTKTHSYVKZWKW-UHFFFAOYSA-N 495.627 1.155 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1508136456 SGMFCVHJIZHEMF-UHFFFAOYSA-N 488.614 1.028 30 10 JDEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1509523552 CDBKMHUKORMCLM-UHFFFAOYSA-N 494.644 1.813 30 10 JDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1517034152 ASOVXVGQJUKDOS-ROUUACIJSA-N 463.585 1.407 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C(=O)OC(C)(C)C)C1CC1 1538972597 KVJRMSPBXVFVTJ-GJZGRUSLSA-N 454.597 1.746 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1cccc(C#C)c1 1539126424 UPSLFJIQWDYOPZ-FQEVSTJZSA-N 484.582 1.081 30 10 JDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1539132342 IVDCIPVIEHEFOA-UYAOXDASSA-N 483.642 1.672 30 10 JDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCC[C@H]1C(=O)N(C)C 1539165946 SMJJFLRCDVPAQW-IBGZPJMESA-N 452.559 1.728 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCOC)[C@H]1CCS(=O)(=O)C1 1539205337 GRTYREJYQWWINN-AWEZNQCLSA-N 456.366 1.319 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1539206454 PIZBJZCFRVTXLF-LAUBAEHRSA-N 479.628 1.679 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1539215477 DAKXIFXUCKNHLO-QGZVFWFLSA-N 469.546 1.615 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1539229454 DGBLCBWWCJRVRP-GOSISDBHSA-N 474.583 1.798 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC1(F)F 1539265712 JTMWYGCFDCNOHN-SJORKVTESA-N 455.531 1.509 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@H]2CCCCO2)CC1 1539467312 RCFYKPVIYKQETJ-LJQANCHMSA-N 465.558 1.850 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1539475439 GIOALDACKGVKTL-QFIPXVFZSA-N 467.618 1.606 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)c2ccsc2)CC1 1539488149 IRLXUBRNJDYITF-HSZRJFAPSA-N 470.599 1.336 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(F)cc(F)c1 1539516746 BMWZAJKEWAYYKT-GOSISDBHSA-N 485.582 1.892 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1539626319 CTMMZWAZOFWIND-AIANPOQGSA-N 470.496 1.715 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1540902526 LKCHWBGMPIAICX-KSSFIOAISA-N 466.526 1.913 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)c1nccs1 1540903269 BVFSXGZPNIOKHR-CABCVRRESA-N 473.646 1.477 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)c1 1546248864 PTRUELAIMAVGJY-UHFFFAOYSA-N 453.564 1.558 30 10 JDEE CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)C1 1547819313 ADXKPKYKDDDPBR-GOSISDBHSA-N 469.546 1.968 30 10 JDEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCNC(=O)c1cc[nH]n1 1587931707 AQPYYOWOUKZFQS-UHFFFAOYSA-N 458.320 1.939 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(CCOC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588024786 LJXGXJWUGJZQRZ-LJQANCHMSA-N 477.631 1.738 30 10 JDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(N2CCOCC2)nc1)[C@H]1CCS(=O)(=O)C1 1588029690 KRKHGYDVDOIPFA-ICSRJNTNSA-N 472.615 1.698 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCCOC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1588045270 IRGJTRQCXJGADM-OALUTQOASA-N 461.588 1.496 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1588054998 RFQWCWQCYYKVAN-QRVBRYPASA-N 452.577 1.342 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588075070 WRYJXQBNVCQCCV-WOJBJXKFSA-N 463.579 1.883 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 1588811194 CGTHNIUZJWPYLF-KRWDZBQOSA-N 494.017 1.654 30 10 JDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC2(O)CCN(C(C)C)CC2)CC1 1588857951 VZHJAYNNCYTFNZ-UHFFFAOYSA-N 457.648 1.624 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(O)CCCCC2)CC1 1588891068 KWKCYXMSPBHBJC-VWLOTQADSA-N 473.618 1.980 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCN2CCOC2=O)CC1 1588954634 JONNEFNAHWMWQS-UHFFFAOYSA-N 451.531 1.072 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCNC(C)=O)CC1 1588962078 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CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1615937778 HAOUVHVTZMNUID-MHECFPHRSA-N 453.591 1.872 30 10 JDEE CCO[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N)c1ccccc1 1616119656 BREGLXGYTBCLKZ-DFQSSKMNSA-N 476.603 1.985 30 10 JDEE CS(=O)(=O)CCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1620162796 HFNRVKXUYHPDIQ-FQEVSTJZSA-N 458.588 1.411 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1 1622370465 AJMILLFQGFXPIC-KRWDZBQOSA-N 450.900 1.486 30 10 JDEE C#CCN(C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 1629470479 UUXBJZKXEISYQO-GOSISDBHSA-N 453.586 1.193 30 10 JDEE C=C(C)CN1CCC(NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1 1632863353 XBZWIDKOLCHMLD-NEWSRXKRSA-N 455.621 1.813 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(CNC(=O)OC(C)(C)C)c2)CC1 1659080111 VRGIROTYDDIYSO-UHFFFAOYSA-N 451.549 1.328 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(F)c(Br)c(Cl)c2)CC1 1661543533 DZYPQEPTKFVSDV-UHFFFAOYSA-N 453.721 1.859 30 10 JDEE C#CCN(C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1681158892 YSPUWOCSHAAYLC-HZPDHXFCSA-N 457.474 1.638 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)CC1 1682861276 ISPYLJQMTOBQOS-FRIKZZABSA-N 459.616 1.367 30 10 JDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1689910950 VJXAUAPQQDQNBX-UHFFFAOYSA-N 465.945 1.931 30 10 JDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1C[C@H](C)O[C@H](C)C1 1689959482 AIMYPPRYDBQADB-HDICACEKSA-N 459.620 1.807 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)OCCc2sccc21 1689966242 NLRMUPOQFNUXLR-JXFKEZNVSA-N 465.601 1.230 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC 1690017507 FXCHDUQVVQTYIS-QGZVFWFLSA-N 464.592 1.015 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccc(C(N)=O)nc1 1690025082 DJRZHKXILMHEAP-UHFFFAOYSA-N 482.592 1.258 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCOCC2)nc1 1690030463 VEWCZPWSEBSEBJ-UNMCSNQZSA-N 450.543 1.355 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCNS(C)(=O)=O)CC1 1690115281 ZOAIKFHVYLCOAE-UHFFFAOYSA-N 499.410 1.541 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC)cc2)CC1 1690146293 KIXKQJWYJAHAJO-HXUWFJFHSA-N 485.610 1.593 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1690152658 SWPSWOLQQLYKKC-FYYLOGMGSA-N 492.580 1.746 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(OCCOC)CCOCC2)CC1 1690364214 LTTAXBKJCNZTKG-KRWDZBQOSA-N 457.597 1.257 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1690662707 CVXYFQYQSFYXFT-VXGBXAGGSA-N 465.377 1.786 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1690675756 DOGRFGQRZKTFCB-SFHVURJKSA-N 474.993 1.971 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCN1CCC(O)CC1 1692536456 HJSLSTIMDJWYKH-UHFFFAOYSA-N 498.607 1.600 30 10 JDEE CCN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1695717429 BTSFPBMTFQJYBR-HXUWFJFHSA-N 474.587 1.770 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2c1OCCCO2 1705494479 ALZWAZLKFMXXML-LPHOPBHVSA-N 475.571 1.279 30 10 JDEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1705517317 SXOMEDIGMXFAJV-GOSISDBHSA-N 496.634 1.472 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCNC(=O)[C@@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1705566000 LGSNKRQHOXLYNN-FHWLQOOXSA-N 465.620 1.699 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705566343 NJDCGUPSXAKCIC-YRPNKDGESA-N 476.647 1.224 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705570851 UKUCMNBPHIXDID-BJLQDIEVSA-N 463.648 1.745 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CCN1CCN(C(C)=O)CC1 1705623538 VSNFZIPQTXQCMH-UHFFFAOYSA-N 489.418 1.958 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2ccc3c(c2)OCCO3)CC1 1705631913 DKHZJQIKYDUYEW-UHFFFAOYSA-N 466.586 1.966 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1 1705662347 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470.020 1.959 30 10 JDEE C#CCSCCn1c(-c2cnccn2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1722457411 DGADAWJBTHLYQP-OAHLLOKOSA-N 457.585 1.946 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1722463203 YNRIIPHOMSEJFV-UHFFFAOYSA-N 487.674 1.338 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cccc(C(=O)NC)c2)CC1 1722574196 HKAMDBARRDIOIM-MRXNPFEDSA-N 460.604 1.893 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(=O)NCC(F)(F)F)C1 1722711597 VLRNPHHNXUEVLS-BEFAXECRSA-N 461.485 1.779 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(C)n2)C1 1722719462 UNDIFVFESILIEN-WOJBJXKFSA-N 476.603 1.338 30 10 JDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1728197857 BZRMKUHSAKYIHO-UHFFFAOYSA-N 450.547 1.681 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nc(C)cs2)CC1 1728669602 DXBKKDLIDPPBGW-UHFFFAOYSA-N 480.598 1.800 30 10 JDEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740595680 JDTDPDMCZJNISI-UHFFFAOYSA-N 464.570 1.760 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1csc(C(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1740615350 BNPWVOBAQIFFHD-GOSISDBHSA-N 490.655 1.963 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740625122 MMDSSFKLDFZUEX-LJQANCHMSA-N 474.583 1.046 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1740625564 RFCHDBSEJDMLFL-IBGZPJMESA-N 460.604 1.583 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCC[C@H](O)C2)CC1 1740698730 UUTFHFQDSCBKRS-FPOVZHCZSA-N 486.642 1.502 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCOC[C@H]2C)CC1 1740708594 VPKTUFJZDXVHCO-UTKZUKDTSA-N 453.591 1.778 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1740786587 IZFAEWFCOWXNMO-QHCPKHFHSA-N 455.563 1.819 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1740810989 KNSYWPBTSJSSQI-IRXDYDNUSA-N 489.042 1.496 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(N3CCOCC3)CC(OCC)C2)CC1 1740818577 NPABFRNAAMQDJJ-PGFLUOATSA-N 482.651 1.315 30 10 JDEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCS(=O)(=O)CC1 1740887411 CTYIDYFAJICZCV-UHFFFAOYSA-N 458.382 1.874 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1740958948 XNSMYITZZOHOQD-WMZOPIPTSA-N 454.506 1.770 30 10 JDEE C=CCNC(=O)Cn1c(N2CCS(=O)(=O)C3(CCCCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740964973 KGBMTGAXTRZDTQ-QHCPKHFHSA-N 495.646 1.559 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1c(C)nc2ccccc21 1748791487 TYXGYQWOFZBBFX-IBGZPJMESA-N 457.560 1.039 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@](C)(O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1748802712 RMDUUBFRBFWOFP-XMSQKQJNSA-N 494.017 1.604 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1748803116 VGSWZTYKAUAMML-IBGZPJMESA-N 471.583 1.528 30 10 JDEE COc1cccc([C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)N(C)C)c1 1748909953 HVCIRFQAIDMACZ-VQTJNVASSA-N 453.547 1.554 30 10 JDEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(C)CN(C)C1=O 1748951133 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1760128113 ZDSHVMQCPLSZMR-UHFFFAOYSA-N 478.578 1.897 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCN(CCC)C2)c1 1760128391 GXCGGDGWBUHLHU-RTWAWAEBSA-N 498.653 1.968 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)CC)c1 1760128400 HCACSNJRWGCILG-SFHVURJKSA-N 459.572 1.663 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1760185651 AMQBTZIJNUZXOB-AQNXPRMDSA-N 497.687 1.071 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1760190496 WUEFNKBOMUUWNT-CQSZACIVSA-N 492.508 1.850 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1760190923 WRBAWIXDLPRPJX-OAQYLSRUSA-N 467.599 1.876 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccn(CC)c1=O 1760200494 KVRFQEFUONCDRY-UHFFFAOYSA-N 463.567 1.541 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC(=O)N1CCOCC1 1760200659 QVDUVKZTEVOREP-UHFFFAOYSA-N 487.564 1.558 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1cccc(N2CCOCC2)n1 1760250699 KNUKJYJBYIXIMY-UHFFFAOYSA-N 467.599 2.000 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1760251070 WBLCGRUPKIHXBF-UHFFFAOYSA-N 450.536 1.034 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCC2CC2)CC1 1760270586 ROBWLEAIOYFYLE-UHFFFAOYSA-N 452.534 1.500 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(OC)c2)CC1 1760270816 BFZYHMXQXYWBOC-UHFFFAOYSA-N 450.543 1.423 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCC1 1760295497 UALCYKFAPIHUTR-GHTZIAJQSA-N 465.620 1.810 30 10 JDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1760353818 GJBZLMSJHOKGAW-IBGZPJMESA-N 451.535 1.618 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1760441075 XTRCEUSWHBFTRN-CABCVRRESA-N 494.540 1.082 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 1760521168 LKJCRIMKGAMYEZ-HXUWFJFHSA-N 497.575 1.512 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCc1ccc(F)cc1)C1CC1 1760522382 RXBTVAOCGIVLJS-KRWDZBQOSA-N 461.563 1.833 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1760524160 QKVHUGJCGSCUCX-OALUTQOASA-N 473.622 1.044 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1760524296 USAVMSGTRBKHTD-NHCUHLMSSA-N 454.575 1.678 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@](C)(c3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760528509 FFCDHFWQDZSOCT-XZOQPEGZSA-N 473.578 1.106 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCS(=O)CC1 1760551252 YLVHHIWEEWDCCZ-UHFFFAOYSA-N 454.574 1.132 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(F)F)C1 1760554401 COVXVWWOKRJPGR-KBPBESRZSA-N 452.549 1.263 30 10 JDEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CC(=O)N(C)C[C@H]1C 1760558707 XVPLDAPFRLMXGQ-MRXNPFEDSA-N 479.628 1.847 30 10 JDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760567387 YURZRABXBPYCCJ-UHFFFAOYSA-N 457.604 1.757 30 10 JDEE CO[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)C1CC1 1769619980 DROSQYVEQSPPTK-CDHQVMDDSA-N 474.587 1.763 30 10 JDEE C#C[C@]1(O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]2O)C=C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC 1848437827 HRFIGUNIDWUIBL-NZBOJFFTSA-N 486.561 1.575 30 10 JDEE C=CCN(CC=C)c1nc(NC(=O)Cc2ccccc2[N+](=O)[O-])n([C@H]2CCS(=O)(=O)C2)n1 1870004542 CXJMGUYAQLWXMM-INIZCTEOSA-N 460.516 1.906 30 10 JDEE CCc1ccc(Cn2nnc(C#N)c2NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 1870111127 ZMZAKDNCPNBAFN-UHFFFAOYSA-N 459.422 1.903 30 10 JDEE N#Cc1ccc(COc2cn(CCc3ccc(S(N)(=O)=O)cc3)c(CN3CC(O)C3)cc2=O)cc1 1870350371 CEGLVVNVYRTCHA-UHFFFAOYSA-N 494.573 1.366 30 10 JDEE C=CCn1cc(OCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c(=O)cc1CN(CCO)CCO 1870390751 WDEUMIFHMHCGQI-UHFFFAOYSA-N 487.553 1.404 30 10 JDEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1870522064 VOSXRGXFOKMVLP-UHFFFAOYSA-N 485.541 1.406 30 10 JDEE 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497.625 1.899 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1539229796 IHLXWYZBSLMNTB-OALUTQOASA-N 474.583 1.919 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C(N)=O)CCCC1 1539315375 KSAGCEVHXAPVIF-UHFFFAOYSA-N 457.538 1.701 30 10 JDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCN(C)C(C)(C)C2)CC1 1539454324 LNQBKMQQFZICCR-UHFFFAOYSA-N 456.664 1.415 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(=O)NCC=C)CC1 1539470111 KFUZWAKIIUBBNN-UHFFFAOYSA-N 466.542 1.230 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539688447 ASVJJWQOXKYKQO-GCJKJVERSA-N 486.642 1.914 30 10 JDEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539694694 JDMCNRGFCMFXOW-SFHVURJKSA-N 468.558 1.856 30 10 JDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1539704528 DPZPFRVGQMQBLS-IBGZPJMESA-N 450.653 1.751 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1539706209 CBDOOHADVWXLNX-GJZGRUSLSA-N 466.530 1.260 30 10 JDEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C(N)=O)CC1 1540020872 OTWSJQROZYFAIG-UHFFFAOYSA-N 475.619 1.841 30 10 JDEE N#Cc1ccc(C(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)c(F)c1 1540615615 FTOBJQVNRXQRNS-UHFFFAOYSA-N 459.503 1.076 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1540889228 HNJWLXMGEIZQFP-KRWDZBQOSA-N 455.544 1.407 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1540902413 IPERQKLILRULAF-KRWDZBQOSA-N 470.603 1.913 30 10 JDEE N#Cc1ccc(N2CCC3(CC2)C[C@H](C(N)=O)N(C(=O)CN2CCOCC2)C3)cc1C(F)(F)F 1548380170 SKVQRZCYALTOEQ-LJQANCHMSA-N 479.503 1.582 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Br)ccc2OCC=C)CC1 1562929391 SMXNRVNGWKDQON-UHFFFAOYSA-N 457.350 1.631 30 10 JDEE N#Cc1cccnc1OC1CCC(NC(=O)NCCS(=O)(=O)N2CCSCC2)CC1 1563961800 ASDYBXLNAROTRA-UHFFFAOYSA-N 453.590 1.321 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)Cc1ccccc1 1587639596 MFLMLKZDKGQZGO-AEFFLSMTSA-N 450.586 1.253 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(S(C)(=O)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1588051008 ZESCUYVHCXIZHV-KRWDZBQOSA-N 477.612 1.243 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1588069168 IRZQDDXYAAALTG-MRXNPFEDSA-N 461.613 1.699 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H](OC)C(F)(F)F)CC1 1588923736 KUNKFGUZDMDVML-GJZGRUSLSA-N 456.469 1.162 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1594534539 MBFBUGRIVYSLFO-KZNAEPCWSA-N 458.607 1.946 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](CCOC)C1 1595551798 VLXJCELVTDBYFC-ROUUACIJSA-N 478.594 1.752 30 10 JDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1595850736 RKYGKDJCPDOLEF-INIZCTEOSA-N 478.644 1.782 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H](C)C1 1596184941 YJZGJRPIHAJSHG-JHGXHUTESA-N 463.542 1.837 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@](C)(CO)c2cccc(Br)c2)c1 1603538640 JSMDYSWSDLCEPM-IBGZPJMESA-N 451.342 1.998 30 10 JDEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1613441542 FXDGSERTPKTOOO-UYAOXDASSA-N 499.641 1.288 30 10 JDEE C=C(C)CN1CCC(NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)CC1 1628373095 SLFOAZKCZZIVLA-HXUWFJFHSA-N 451.589 1.873 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)c1 1631369567 ZVOHPPZVCGRWGA-UHFFFAOYSA-N 458.561 1.701 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(CC(=O)N3CCN(C)CC3)c2)cc1 1635270234 YRAKSCDGWPEGTD-UHFFFAOYSA-N 454.552 1.167 30 10 JDEE C#CC1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Br)CC1 1643525348 BWAORTQDJIDYLH-QGZVFWFLSA-N 455.374 1.854 30 10 JDEE CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 1659410041 IFUYYFFNCUXMLO-LRDDRELGSA-N 455.512 1.957 30 10 JDEE C#CCCN(CCOC)C(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1679169422 HUYQBMPZKKWEPD-UHFFFAOYSA-N 453.561 1.538 30 10 JDEE COc1ccccc1C(=O)N1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1681226197 CLJOKGDUQKRLKE-SJLPKXTDSA-N 457.531 1.922 30 10 JDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1689980878 YVLAPAKSHLMKMX-PMACEKPBSA-N 478.640 1.881 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1689982776 UIABLSRCSROWDA-HPFMTEOYSA-N 462.597 1.942 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(F)(F)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689993327 AYJTVGHPCNPAQV-GOSISDBHSA-N 477.537 1.819 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(C)c1 1690046563 DMEQRSSQMCWZQV-NRFANRHFSA-N 471.583 1.461 30 10 JDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCS(=O)(=O)C1 1690053987 MBJSDOPYXCCJNT-KRWDZBQOSA-N 459.597 1.557 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(C)CN(C)C2=O)CC1 1690148756 SFVAIAKWZRFFDI-RUZDIDTESA-N 464.570 1.322 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1690313227 NZMADFOJKPMAOH-LJQANCHMSA-N 490.630 1.893 30 10 JDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)nc1 1690528020 WMBABESVYFQSBS-KRWDZBQOSA-N 457.535 1.751 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1690661893 KIGLLKAVQGLYGO-OCCSQVGLSA-N 453.341 1.578 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccs2)C1 1690699503 FXAVWXNNTPEIAP-WMZOPIPTSA-N 467.617 1.697 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1690713952 AGEHIKABIFXJRW-UHFFFAOYSA-N 475.497 1.253 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1690729028 DOMXXOPDKGRLID-LJQANCHMSA-N 495.552 1.857 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705558553 AVMYACXOAQJDSK-SJORKVTESA-N 496.634 1.204 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1705558742 GUQYNMNBEPQVBP-LJQANCHMSA-N 486.598 1.371 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705560977 MKUOAQOUFLRRDG-FGSXEWAUSA-N 468.620 1.618 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN(CC(C)C)C1 1705582433 AZHMTDMOOCUOSN-RTWAWAEBSA-N 476.647 1.052 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](COC)OC 1705620215 OGDPJMFCRBQWAV-MJGOQNOKSA-N 450.536 1.621 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCS(=O)(=O)NC(C)C)CC1 1705637404 VVYPBKAULLVWSV-UHFFFAOYSA-N 450.996 1.682 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCOC)CC1 1705648032 PHHJHTVAYYCBKC-UHFFFAOYSA-N 477.569 1.848 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1705652445 ZHJNQHIMQVTKNA-QGZVFWFLSA-N 490.655 1.278 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCCC2)C1 1705737469 RTMRLPPVWPRYDV-LJQANCHMSA-N 483.635 1.743 30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1705764789 NGJOSHIQLGYPFW-UHFFFAOYSA-N 479.628 1.929 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)NCCC)CC1 1705791882 GVURRBXIKURFCW-LJQANCHMSA-N 496.678 1.956 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2nnc3n2CCCCC3)C1 1705915328 JTURNJJXLCEELM-IAGOWNOFSA-N 478.623 1.230 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1705937657 AKLGSLZNQPAUCS-QFIPXVFZSA-N 459.572 1.217 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1706075004 IBTLPTDZFXJMGF-ZJPYXAASSA-N 452.625 1.664 30 10 JDEE C[C@@H]1CCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1708039939 AMNPWDQBPAHKTL-VGOFRKELSA-N 474.587 1.361 30 10 JDEE CCCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)N(C)C)c2ccccc2c1=O 1709806904 FSMJPOXRSAOVAQ-IAGOWNOFSA-N 450.547 1.744 30 10 JDEE N#C[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1712882288 ADMHSYADXODISD-MEDUHNTESA-N 488.389 1.047 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCO[C@@H]1CCCC[C@@H]1C 1722295146 JFZOTWRJKGHRBJ-OKYOBFRVSA-N 453.609 1.664 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCOCCS(C)(=O)=O 1722306451 SJQPFNDGNODGRS-ZACQAIPSSA-N 469.608 1.568 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2F)CC1 1722323674 HDCHJSPYMWWJIC-OAHLLOKOSA-N 452.531 1.907 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1722358413 HKFIPCPSCMRCJJ-UXHICEINSA-N 476.647 1.405 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC1(O)CCOCC1 1722421834 NGUSAXCVPDTONH-UHFFFAOYSA-N 452.353 1.674 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1722438438 XLAUHELUNFTKSE-LEWJYISDSA-N 488.633 1.688 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC2CCCC2)CC1 1722444060 DURDWSKIOVOCGP-KRWDZBQOSA-N 464.636 1.825 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1722448678 XDUDCZWBZVXXSI-UHFFFAOYSA-N 491.596 1.165 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCOC[C@H]2OC)CC1 1722449705 OJIZDVBDYORVQY-LEWJYISDSA-N 469.590 1.157 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1 1722462805 YBHCWKQRMUZXPH-INIZCTEOSA-N 464.592 1.279 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1722697959 AOVAQVRTYFZMLE-ZWKOTPCHSA-N 489.598 1.841 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCN(C(C)=O)CC2)C1 1722722201 YTKYZSKLSALRRA-LJQANCHMSA-N 487.630 1.215 30 10 JDEE CC1(C)CCC[C@]1(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1724020582 CKXSTNXCVLPVTH-UWJYYQICSA-N 466.608 1.292 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2C)CC1=O 1730798889 HGVADVVGUCBUFX-ICSRJNTNSA-N 468.558 1.696 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C(C)C)N2CCOCC2)c1 1740562628 MCQAWYMVJFINGO-FCHUYYIVSA-N 493.612 1.642 30 10 JDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1740566872 KOOMGIYAQKUWPD-UHFFFAOYSA-N 478.601 1.863 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1Cc1c(CC)nn(C)c1OC)[C@@H]1CCS(=O)(=O)C1 1740621853 ZWWYWMYFDGIZDQ-GOSISDBHSA-N 468.583 1.925 30 10 JDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@](C)=O)CCC1 1740683615 LPCWVMBVUFXKBU-YTTGMZPUSA-N 478.644 1.625 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1740685289 DQSIURHNIFAETB-JTAQYXEDSA-N 496.678 1.208 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nccnc2C)CC1 1740710372 YKPHHIDOXMHFEO-UHFFFAOYSA-N 463.571 1.717 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1740752590 YFLDXYVIUOHPOT-LNLFQRSKSA-N 474.587 1.920 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1740793844 WDUXLVSMUXIKCD-UYAOXDASSA-N 493.634 1.006 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)c(F)c2)C1 1740981003 NJPASXBLQFSSHH-YLJYHZDGSA-N 495.577 1.588 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2F)C1 1740983031 ZSCXEGAGMWUBBF-PKOBYXMFSA-N 465.551 1.580 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1740991100 OIBOWRGHXBVTEA-FQEVSTJZSA-N 450.653 1.751 30 10 JDEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1 1745124017 IEDOVLYXYIKDGV-HXUWFJFHSA-N 479.585 1.984 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(N(C)C)nc2)CC1 1747544448 AXVUQBFMJXAKQJ-UHFFFAOYSA-N 473.585 1.536 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1748651272 KMMMBQNARQGNHQ-IRXDYDNUSA-N 479.628 1.478 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCN2CCSCC2)c1 1748692835 QACBJTDWSUAGSK-IBGZPJMESA-N 454.600 1.887 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748805247 PRQLMHYVJUKHIM-LEAZDLGRSA-N 491.639 1.319 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1748817790 QLTGIBYWWSUFSI-IBGZPJMESA-N 478.640 1.750 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(C[S@@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1748819478 PEJCVMSPNBREQD-DHYKOVJISA-N 497.646 1.817 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cnn(C)c1C 1748886541 GRXXEKOUCLVKCH-UHFFFAOYSA-N 450.572 1.791 30 10 JDEE C#CCN(CC)c1nnc(COc2ccccc2OCC)n1CC1(O)CCS(=O)(=O)CC1 1748937147 CQPOEQGGLHUBDM-UHFFFAOYSA-N 462.572 1.655 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)nc1 1749067164 QBTMGIRQKWQBNS-OXQOHEQNSA-N 464.979 1.700 30 10 JDEE C=C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCNS(=O)(=O)CC)CC1 1749303011 CTXXXIHCXMUHOH-UHFFFAOYSA-N 474.635 1.938 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCc2nn(C)c(=O)cc2C1 1749680316 IQLLGQAGHKVJTE-UHFFFAOYSA-N 463.542 1.378 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)c3ccc(C)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1749682104 OMRBEBXLEISDPH-RUZDIDTESA-N 482.585 1.503 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1749721447 KEJHVVMQAAGQBN-AWEZNQCLSA-N 467.514 1.565 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)(C)C)CC1 1749723981 FCURQZHNVNWACY-UHFFFAOYSA-N 495.671 1.870 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(Cl)cccc2C1 1749735288 RCGTXRNYKPTIQW-INIZCTEOSA-N 485.031 1.997 30 10 JDEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)n[nH]1 1751788670 IAAVDOGAEQHESK-UHFFFAOYSA-N 469.575 1.346 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCC2CC2)c1 1760126555 BSNMNPKRPFEGTE-UHFFFAOYSA-N 486.536 1.508 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cnn(CCOC)c1)[C@@H]1CCS(=O)(=O)C1 1760185251 TYMKQCZGIWJHJW-OAQYLSRUSA-N 479.566 1.335 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1760189505 UXEIBSUKIYJIGD-RTBURBONSA-N 463.604 1.453 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)C2CCCCC2)CC1 1760265120 OJNJMBQELXAMAT-RUZDIDTESA-N 470.618 1.811 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCSCC2)CC1 1760267013 RAXZFGZBXUNBSZ-UHFFFAOYSA-N 483.598 1.868 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCCC2=O)CC1 1760275039 PIJOWKPTVILHRW-MRXNPFEDSA-N 468.649 1.236 30 10 JDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(S(=O)(=O)CC)CC1 1760279422 CUUYSETYVBCVLA-UHFFFAOYSA-N 465.601 1.776 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sc(C)nc1C)C1CC1 1760477379 YMWXNERHKAMDKI-INIZCTEOSA-N 452.606 1.887 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1760510307 QKLKRLZEBMVCGE-KSZLIROESA-N 498.650 1.927 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC(=O)NC 1760556143 VVMMJFNHOZNNOB-QGZVFWFLSA-N 498.650 1.566 30 10 JDEE C=CCSCCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760568223 BWWKTETUWZVFAF-HYBUGGRVSA-N 492.690 1.981 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)CC1 1760620797 SNHWXACVEWPDMZ-HSZRJFAPSA-N 492.628 1.722 30 10 JDEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)C1 1766157691 HAXMKBXWTVFIKE-VHJYZYJHSA-N 454.531 1.326 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1767063539 FSBIUDQRXYUHLL-UHFFFAOYSA-N 466.567 1.712 30 10 JDEE Cc1ccc(S(=O)(=O)OCCOCCOCCn2cc(B3OC(C)(C)C(C)(C)O3)cn2)cc1 1857790455 HFARLJZNVWTLGD-UHFFFAOYSA-N 480.392 1.929 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)N[C@@H](C)C(=O)O)nc1C 1858792922 XFBPJITUAZMNJG-NSHDSACASA-N 463.472 1.801 30 10 JDEE C=CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 1858963271 FFKXJBKSTYVJQP-CQSZACIVSA-N 471.491 1.588 30 10 JDEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@H]1c1ccc(OCCN2CCOCC2)c(OC)c1 1864285316 QWYMLYDCAJDRIF-OAQYLSRUSA-N 497.596 1.699 30 10 JDEE O=C(NCCCn1ccnc1)[C@@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869934144 ZVSPICSLVOUKQS-LJQANCHMSA-N 455.515 1.879 30 10 JDEE N#Cc1ccc(COc2cn(CCN3C(=O)CSC3=O)c(CN3CCOCC3)cc2=O)cc1 1870350352 BILGVYJTYFGTTI-UHFFFAOYSA-N 468.535 1.827 30 10 JDEE C=CCn1cc(OCC(=O)NCc2ccccc2OC)c(=O)cc1CN1CCC(CO)CC1 1870641280 VVUPYIBCSCJCHF-UHFFFAOYSA-N 455.555 1.942 30 10 JDEE C=CCN(CC=C)c1nc(=NCc2ccc(S(N)(=O)=O)cc2)[nH]c(=Nc2cccc(OC)c2)[nH]1 1871666830 LJHODPNLRQSIFY-UHFFFAOYSA-N 481.582 1.906 30 10 JDEE CCCCCCCCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 1872947633 CEHGADULWFYQBU-WOJBJXKFSA-N 469.648 1.737 30 10 JDEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(NCCN3C(=O)CSC3=O)ncnc21 1875232452 JHGLPYVENYXQFN-UHFFFAOYSA-N 471.543 1.062 30 10 JDEE CCn1c(=O)c2cc(S(=O)(=O)N3CCC(N(C)c4cc(C#N)ccn4)CC3)ccc2n(CC)c1=O 1891697546 AKSVUOOFJHBXLF-UHFFFAOYSA-N 496.593 1.759 30 10 JDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(NC(=O)C(F)(F)F)C1 2247953993 XAJLZLWUTDOJAT-UHFFFAOYSA-N 454.301 1.407 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)n1 2255608569 NBTYCXXDNWRHQP-HSZRJFAPSA-N 469.351 1.645 30 10 JDEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255821041 DAHPOQMGCNFFIB-UONOGXRCSA-N 452.386 1.790 30 10 JDEE COc1ccc(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267108319 VHIANZIKZNSEHK-AWEZNQCLSA-N 450.341 1.610 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2COCC[C@H]2NC(=O)OC(C)(C)C)n1 2267178428 BJVOZCIFSHQUEA-HUUCEWRRSA-N 450.345 1.131 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268681831 XCWXPESRSDAEEG-NRFANRHFSA-N 467.397 1.678 30 10 JDEE Cc1c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281805027 SKCVJRCVRWUBEW-HUUCEWRRSA-N 464.372 1.128 30 10 JDEE Cc1c(C(=O)N=[S@@]2(=O)CC[C@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281809855 JYQPWVDOJXINNL-RPLXOIEJSA-N 482.412 1.933 30 10 JDEE CCCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2282684230 OBMWTBHCUVYUNP-OAHLLOKOSA-N 463.388 1.976 30 10 JDEE C=C(CS(=O)(=O)N1CCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C1)B1OC(C)(C)C(C)(C)O1 2282884704 RLOIRYRLMNLJIT-HOTGVXAUSA-N 485.412 1.314 30 10 JDEE CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283072905 VPDBJKAUEIMFFR-DEOSSOPVSA-N 452.364 1.485 30 10 JDEE C[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)[C@H]1CCCN1C(=O)OC(C)(C)C 2286911832 QNQSZFZCXHPSJQ-HUUCEWRRSA-N 484.428 1.786 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCOC(C)(C)CNC(=O)OC(C)(C)C)n1 2295774650 YVRUJDQWWOXKFQ-UHFFFAOYSA-N 467.376 1.164 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(F)(F)[C@@](C)(NC(=O)OC(C)(C)C)C1 2361912637 KBHHWKXBAXENHD-IBGZPJMESA-N 471.314 1.489 30 10 JDEE CO[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nc(C)n2C)C[C@@H]1NC(=O)OC(C)(C)C 2362483107 MHGGAPJABRVYOF-LSDHHAIUSA-N 464.372 1.392 30 10 JDEE COc1ccc(CNC(=O)CSc2nnc(N/N=C/c3ccc(OC)c(O)c3)n2N)cc1 21316713 FRMZUFKHCLYORT-FOKLQQMPSA-N 457.516 1.569 30 10 JDEE CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 31294817 QXMBJOSXCNTCJZ-UHFFFAOYSA-N 486.594 1.930 30 10 JDEE CCn1c(=O)oc2cc(S(=O)(=O)N3CCN(C(=O)c4ccc(C#N)cc4F)CC3)ccc21 65075879 CPWQOHVTRDFEHN-UHFFFAOYSA-N 458.471 1.772 30 10 JDEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204870400 TXPZKOPSOQSCTO-WBVHZDCISA-N 475.399 1.774 30 10 JDEE COc1ccc(NC(=S)NN=C2C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1 263631757 PZJJUPSAYSIIJR-UHFFFAOYSA-N 489.579 1.383 30 10 JDEE N#Cc1ccc(CN2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)C[C@H]4CCCO4)cc3)CC2)cc1 520933138 SSMDSQPAOAZTCC-JOCHJYFZSA-N 496.589 1.794 30 10 JDEE CNS(=O)(=O)c1ccccc1N1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 727825183 LVEAXFFRFPZZHX-UHFFFAOYSA-N 482.566 1.010 30 10 JDEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cn(C)nc3C)n2)cc1 1084206279 HHZWWBIBMFAJAO-UHFFFAOYSA-N 477.576 1.322 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 1127464358 RKYQRHFPAULUMC-UHFFFAOYSA-N 450.582 1.958 30 10 JDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 1130627480 ZCXRVOBVFSOUDF-UHFFFAOYSA-N 459.362 1.873 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1csc([C@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1286379828 CQSSLAZXUXAPNH-DOTOQJQBSA-N 492.627 1.353 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1286386999 LWXVYNCHDBYIFU-QGZVFWFLSA-N 490.387 1.626 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)N1CCOCC1 1286418489 JTUBWTXBHZOVFF-UHFFFAOYSA-N 498.653 1.769 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(=O)NCC2CC2)CC1 1286472723 DHJQECBPHDMABO-UHFFFAOYSA-N 457.376 1.989 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1286490938 XVOCGDGYWYACEF-LJQANCHMSA-N 462.620 1.326 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cccc(C)n1 1286522731 NWXQWXFCMVVXIG-NFBKMPQASA-N 472.615 1.939 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(C)(=O)=O 1286523357 SXBWPPPGQKJEIX-IIBYNOLFSA-N 467.592 1.623 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccco1)C1CC1 1286736145 BACJNYDOJDCHSZ-OXQOHEQNSA-N 451.549 1.267 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1286782453 VQOXAKZLSNVNPV-UHFFFAOYSA-N 476.497 1.513 30 10 JDEE CC#CCNC(=O)CCCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1295809301 SSHHZWQDHKKZPW-UHFFFAOYSA-N 455.964 1.491 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC=C 1300310396 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C#Cc1cccc(NC(=O)CN(C)C(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)c1 1350922521 CFBDYIQINVWAHW-UHFFFAOYSA-N 452.536 1.926 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1OC(F)F 1358890763 VLZZLQZPDQIORJ-DYVFJYSZSA-N 487.504 1.858 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CC12CCOCC2)[C@@H]1CCS(=O)(=O)C1 1358955005 CAOHCQUONZYSDX-PKOBYXMFSA-N 477.631 1.640 30 10 JDEE C#CCN(c1nnc(C)n1CCc1ccc(OCC(F)(F)F)nc1)[C@H]1CCS(=O)(=O)C1 1358957598 WVWZWMJBOKOUQB-INIZCTEOSA-N 457.478 1.792 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccs1)[C@H]1CCS(=O)(=O)C1 1358963640 LQPFAQOFBXSSPO-CVEARBPZSA-N 468.626 1.111 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 1358965280 RNUODVIHSHFWBW-IBGZPJMESA-N 497.577 1.414 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[S@@](=O)C(C)(C)C)CC1 1359040310 OTUUYTCMCADMEI-UUWRZZSWSA-N 485.614 1.438 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCCCCC2)CC1 1359047038 OMSWRVGIBQEGLK-UHFFFAOYSA-N 466.634 1.982 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1359121994 RTTUMSPFXLXHCL-CVEARBPZSA-N 451.553 1.263 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1359284459 PXVAQNAFQNGWLR-LJQANCHMSA-N 495.627 1.165 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359287686 QGXQEOYOVQNHEL-HZPDHXFCSA-N 455.581 1.786 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@H]2C1 1359309495 UINSJONFQNMIAI-RDJZCZTQSA-N 476.559 1.142 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)c2ccccc2)C1 1359321124 AJLGSEBSTGGDNY-QTEQDKRBSA-N 491.614 1.300 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1359330394 QICONOHYYCVAKU-QZTJIDSGSA-N 459.572 1.802 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(n2cc(Cl)cn2)CC1 1359334777 QPYORVXUFSUIKV-UHFFFAOYSA-N 482.010 1.693 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H]2c2cnn(C)c2)nnc1[C@]1(OCC)CCOC1 1359335670 RDKJVEFWDVIYMQ-RXVVDRJESA-N 464.592 1.606 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@H](CC)C2)nnc1[C@]1(OC(C)C)CCOC1 1359335779 UUAMAEGLTKACDS-UEXGIBASSA-N 456.609 1.923 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1503264519 FZDNCJXFYITWHP-GOSISDBHSA-N 469.571 1.894 30 10 JDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1503810451 GWQKIANDVOQJOB-WOJBJXKFSA-N 492.628 1.579 30 10 JDEE CS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1505135055 HURGTVWZFUZISC-HXUWFJFHSA-N 458.588 1.758 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCc2ccccc21 1507538828 PJMXQQUFPOJGFD-WAOWUJCRSA-N 472.615 1.520 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1507623509 YGHDMRODWPCBFA-QZTJIDSGSA-N 489.598 1.519 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1507623935 ZJZFCQILCDXYCD-YJBOKZPZSA-N 497.581 1.961 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1507624503 APMYQMNNZAIZLR-UGKGYDQZSA-N 467.636 1.286 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1507626048 CJZZSHTXFSJPIX-QGZVFWFLSA-N 475.571 1.115 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1507631855 GSQAQFVIOMPRAK-DZGCQCFKSA-N 468.004 1.814 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1507643181 RQQIUYDGSJPDFZ-IBGZPJMESA-N 452.534 1.794 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1507690826 XTPFRMRPPHNBKK-LEWJYISDSA-N 470.643 1.850 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN2CCOC2=O)CC1 1507735503 BCTMVYFKVVXLFT-DEOSSOPVSA-N 488.589 1.127 30 10 JDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1507753012 HWTFAGLHIPDADU-UHFFFAOYSA-N 476.566 1.682 30 10 JDEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NCCOC)CC1 1507782011 PZWJWEZNTXASAB-UHFFFAOYSA-N 478.395 1.442 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CCN1CCN(C(C)=O)CC1 1507999599 NGOYKNLCNAYJRX-UHFFFAOYSA-N 471.569 1.963 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1508137667 PMHZTFQHZLDHPH-FQEVSTJZSA-N 490.605 1.428 30 10 JDEE COc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)ccc1OCCO 1518002998 GLWIZBROWVEXGE-HRAATJIYSA-N 479.534 1.050 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1COCC 1539012816 GNHHPGDTJVSTHE-XLIONFOSSA-N 461.588 1.654 30 10 JDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCSCC1 1539180044 VQRSZCOLLXNVCQ-QGZVFWFLSA-N 450.609 1.705 30 10 JDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539201052 VCXVMDPVVRXGAF-YESZJQIVSA-N 466.608 1.400 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O)[C@H]1CCS(=O)(=O)C1 1539211295 GXDCZTBYAGIYHF-ICSRJNTNSA-N 499.568 1.957 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)Oc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1539221510 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CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1568504860 IFEHMAUTEIBUGX-IFMALSPDSA-N 459.506 1.973 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(CCC)C(=O)OC(C)(C)C 1587563193 YVCJIDMPJNZSLA-CVEARBPZSA-N 456.613 1.993 30 10 JDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1587719205 VPQQABSAJJUJGT-SFHVURJKSA-N 450.586 1.775 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nn(CCCCCC)c(=O)c3ccccc23)CC1 1588199242 KGYNMWBFNJAHGA-UHFFFAOYSA-N 459.572 1.202 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)CC1 1588898813 DAXRIUXNIDRPLF-UHFFFAOYSA-N 469.549 1.838 30 10 JDEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(S(C)(=O)=O)CC1 1594492221 VPIZZKTUCDBFNT-UHFFFAOYSA-N 450.565 1.690 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1595477579 WGIZJNBMSIJXSJ-INIZCTEOSA-N 494.593 1.720 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1595522820 KMPCMYUUIZVPEJ-SFHVURJKSA-N 467.574 1.838 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccnc(-n3cccn3)c2)C1 1595673782 JJVZABLTEMBJED-AEFFLSMTSA-N 472.575 1.299 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1595701199 XTYDEUCYMNXNOK-WZONZLPQSA-N 492.598 1.683 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1595752671 CWYCGBUVPNOGOE-MRXNPFEDSA-N 480.616 1.458 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2ccccc2)CC1 1595785282 VJLZWJLQQKKNFG-UHFFFAOYSA-N 468.583 1.847 30 10 JDEE C=CCN(CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)CC(=O)OCC 1615332543 RUTGNMOBFQCIFX-CALCHBBNSA-N 453.561 1.474 30 10 JDEE CN(C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1)c1ccco1 1617642687 ANIIYPPQTHYHSA-JKSUJKDBSA-N 455.544 1.894 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCCC2(C)C)c1 1617705868 HDJVZSVHPAELAA-MBSDFSHPSA-N 488.614 1.865 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(O)(CNC(=O)OC(C)(C)C)CC2)cc1 1626911816 SONVJCYCKWFFSM-UHFFFAOYSA-N 451.545 1.090 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)CC1 1643372436 LJRSMWJLYJUFRA-UHFFFAOYSA-N 455.462 1.425 30 10 JDEE CN(C)S(=O)(=O)c1cccc(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 1680024213 CPXPTZJKXFBQFJ-HXUWFJFHSA-N 455.540 1.803 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1csc(C(C)C)n1)[C@H]1CCS(=O)(=O)C1 1689978112 MTCPZNRVKMIHIY-KRWDZBQOSA-N 478.644 1.866 30 10 JDEE C#CCN(c1nnc(C)n1CCCCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1689982984 YIUZCMOAEDQXCU-MRXNPFEDSA-N 455.382 1.653 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(C(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1689985989 GOKDDVSXCDNKNO-SFHVURJKSA-N 450.524 1.114 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689992790 OVTFGBWXKOKULR-FQEVSTJZSA-N 499.618 1.365 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1689993355 BFVNMXQOJLYMOZ-FQEVSTJZSA-N 457.600 1.605 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1c(CC)nn(C)c1OC)[C@H]1CCS(=O)(=O)C1 1689998624 RORJIMUSRVTOHM-MAUKXSAKSA-N 462.576 1.109 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)cc1 1690019807 RXIRJGVNKHRXKH-LJQANCHMSA-N 461.975 1.580 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)n1 1690109366 PBCZJIWUXOLMBS-RUZDIDTESA-N 472.553 1.778 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2CC(F)(F)Br)n1 1690109424 QQYPBWXDFGCEIZ-CQSZACIVSA-N 486.321 1.700 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccccn2)CC1 1690137518 BVPXSIGBBFXZHV-VWLOTQADSA-N 466.586 1.922 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CC)CCC 1690206119 HZPZYQUVEWZIOM-GHTZIAJQSA-N 452.625 1.335 30 10 JDEE C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690319519 POZUXUCONRDQFY-LJQANCHMSA-N 468.558 1.214 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1690661737 FTECRXKHAQAXKR-UHFFFAOYSA-N 484.358 1.666 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1690773257 GYUABBGLPLSHEH-MRCUWXFGSA-N 457.579 1.840 30 10 JDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(CS(C)(=O)=O)CC1 1692742306 HXEBDSNLCZWSPN-OAHLLOKOSA-N 465.601 1.511 30 10 JDEE C[C@@H](Cn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1C(C)(C)C)N1CCOCC1 1692775623 FKKNQKIIMICVOL-ROUUACIJSA-N 453.595 1.673 30 10 JDEE Cn1ncc(CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@](F)(C#N)C2)n1 1696883262 BOICVQYNYBCWJV-FQEVSTJZSA-N 458.523 1.552 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1705565198 TWLSTIDJBLTJDP-GOSISDBHSA-N 466.567 1.922 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1705568797 VKJJFQDGYRPMKQ-GOSISDBHSA-N 487.582 1.115 30 10 JDEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705656177 XAENVVYYXYATFO-UHFFFAOYSA-N 487.449 1.874 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)NC)C1 1705792731 YSVWHMDVXWHDAQ-SJORKVTESA-N 468.624 1.176 30 10 JDEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](C(N)=O)C1 1705830281 MCNZRENTLSXYOY-LJQANCHMSA-N 454.579 1.747 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCC(=O)N2)C1 1705914675 DIZANLCGHAAWDE-QZTJIDSGSA-N 458.950 1.921 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CCCC1 1708752173 GYKDCGQNEIQLKP-GOSISDBHSA-N 480.621 1.669 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CCS(=O)(=O)CC1 1722306919 WUTYUFTWBZKANN-ZACQAIPSSA-N 481.619 1.446 30 10 JDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722341906 OLDKJFHHRHWGTK-UDIDDNNKSA-N 472.634 1.794 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc2ccccc2s1 1722384716 SDPVXEUZXSOZLA-IBGZPJMESA-N 469.592 1.947 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOc2ccccc2C)CC1 1722438314 VPMIBOHQUPVQLM-FQEVSTJZSA-N 457.600 1.713 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOc2ccccc2)CC1 1722692172 GQKPCGFZCRNXSL-UHFFFAOYSA-N 467.574 1.017 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1722731434 KSWLSAHELRKMMM-GOSISDBHSA-N 475.571 1.716 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCN1CCCCC1=O 1723616583 HBCQQTOIDDYUAH-GOSISDBHSA-N 494.604 1.196 30 10 JDEE N#CCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1731188589 CGSHJUGZEXFBPS-UHFFFAOYSA-N 454.556 1.887 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(NC(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1740624619 IUBXHQIUNIWTAE-FQEVSTJZSA-N 479.566 1.430 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(NC(C)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1740625936 JFXDTGAFOIDMBA-MOPGFXCFSA-N 472.571 1.548 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](CC(C)C)NC(=O)OCC)[C@H]1CCS(=O)(=O)C1 1740626127 JQGFGRLNJIBUFM-QYZOEREBSA-N 481.619 1.570 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(COC)c1)[C@@H]1CCS(=O)(=O)C1 1740626280 WMGCRBBLXQTFRA-JOCHJYFZSA-N 482.610 1.961 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCO[C@@H]1CCOC1 1740639440 BNGVIZQFJPGAHR-WOJBJXKFSA-N 473.574 1.855 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1740644809 VAMWNDPBLMFILL-MHTWAQMVSA-N 475.615 1.279 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1740672029 VDCLSXAFGSDEGH-CQSZACIVSA-N 461.535 1.800 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(F)(F)F)n1 1740685334 FAXJKJQWGUEIDG-AWEZNQCLSA-N 457.478 1.728 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1740694388 IIJUFHQHLJQRJK-QGZVFWFLSA-N 454.531 1.059 30 10 JDEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C(=O)NC)CC1 1740719581 HLZQRNDAMGAAJU-UHFFFAOYSA-N 495.697 1.972 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNC(=O)c2cccc(OC)c2)CC1 1740818756 SYEVKAZUVYEQIR-MRXNPFEDSA-N 462.576 1.483 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1740843628 MKIIPFHORKGUID-SJORKVTESA-N 487.634 1.867 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCO[C@@H](C)C1)C1CC1 1740910481 OGPLJIMNBPMUPC-LNLFQRSKSA-N 453.609 1.971 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(Cn2cncn2)CC1 1740951041 BBFZEMUTLWVDTN-UHFFFAOYSA-N 497.991 1.672 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1740960032 JHPUNKPIVHOQCX-GOSISDBHSA-N 491.589 1.196 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)nnc1C(C)(C)C 1740964611 FRXIUOGZLWBUCV-QGZVFWFLSA-N 452.625 1.709 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1740985423 HTDAKRWLSWPBBE-OKYOBFRVSA-N 469.608 1.065 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H]1CCOC1 1740991202 QLBVKHXXBXXXJH-OAHLLOKOSA-N 458.544 1.667 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1740991516 YFMYYPDFVMLFQP-GOSISDBHSA-N 474.587 1.522 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1740994805 XMKJRRJFSCGQHS-NRFANRHFSA-N 463.535 1.456 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1740995836 ZHBMIZDYQKUGQZ-NQIIRXRSSA-N 450.536 1.967 30 10 JDEE CC(C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1741259542 CLTMCQIYQDROIX-HXUWFJFHSA-N 451.531 1.568 30 10 JDEE Cc1cccnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1742457904 AQCOUDLOBFHTJM-UHFFFAOYSA-N 474.569 1.691 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCOC[C@@H]2OC)c1 1748690477 SLWQNFPHOFWADK-QUCCMNQESA-N 468.558 1.524 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1748691300 CDNFKOMYTRRQGT-OPAMFIHVSA-N 459.572 1.397 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CC2([S@](C)=O)CC2)c1 1748691335 CIUFAZXTPGKDME-ZWVRTZEQSA-N 485.610 1.898 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C2CC2)N(C)C)c1 1748693066 XCDNBOVANYAFDZ-PZJWPPBQSA-N 484.626 1.577 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1748789968 CSOLWAOBVTYFAR-VQTJNVASSA-N 456.616 1.460 30 10 JDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(N2CCOCC2)nc1)[C@@H]1CCS(=O)(=O)C1 1748801702 DTHLBMPSYPXLEM-LJQANCHMSA-N 458.588 1.308 30 10 JDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748817707 OUVCMSVJCMDKEI-CJNGLKHVSA-N 456.446 1.980 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1748818605 CNSGGMMUEQFCIX-VPTFNQTCSA-N 464.588 1.546 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748820797 IRLMGAIRWLSZPI-QRVBRYPASA-N 463.604 1.232 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCSC1 1748950738 NSEJDXFVOMUOIV-FQEVSTJZSA-N 450.586 1.303 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)cc2)CC1 1749001208 LYDRVHMONBAGAV-UHFFFAOYSA-N 450.543 1.537 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(NS(C)(=O)=O)CC1 1749026515 KXXWMTDZCMMYCJ-UHFFFAOYSA-N 479.628 1.847 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1749084274 VQIINNGAYWBFTG-QAPCUYQASA-N 496.454 1.704 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749658346 OARPURAKAOKVAA-UHFFFAOYSA-N 498.950 1.860 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1749677477 AETWFQJPWFJIPH-FQEVSTJZSA-N 457.623 1.651 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1749681221 YNYUMKGIFMBQGU-UHFFFAOYSA-N 480.573 1.871 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749730045 YATLVAWXDMAKLA-INIZCTEOSA-N 485.607 1.451 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ncc(C)s2)CC1 1749734281 HYYCJCNYCMBOLT-QGZVFWFLSA-N 499.684 1.930 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(Cl)cccc2C1 1749735289 RCGTXRNYKPTIQW-MRXNPFEDSA-N 485.031 1.997 30 10 JDEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1749749102 HCWUWFTWBNOMEN-UHFFFAOYSA-N 467.617 1.963 30 10 JDEE Cc1nccnc1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1751812411 DLFLTHZGDBKXIB-INIZCTEOSA-N 454.560 1.738 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCOCC2)c1 1760128215 BSESZCIIXUORFI-NRFANRHFSA-N 479.585 1.398 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)CCOC)c1 1760129085 XMINIUNHZKEYIY-FDDCHVKYSA-N 489.598 1.024 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN1CCOCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760182034 AXBSYKTUWADFPN-GOSISDBHSA-N 461.588 1.584 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCNC(=O)c2cccc(OC)c2)CC1 1760256772 KUEYCAIOZWJMIG-AREMUKBSSA-N 496.612 1.513 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1760279463 ADIRPOFOIIGRER-FQEVSTJZSA-N 459.664 1.590 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1760284871 UHGVJKIRMIJRQH-QGZVFWFLSA-N 465.587 1.144 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C)CC1 1760315224 BPRJAZFPDXQONB-QYZOEREBSA-N 490.634 1.295 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1760346259 PSTCVFPQUGBTSR-UXHICEINSA-N 477.587 1.471 30 10 JDEE C=C(C)Cn1c(CC2CC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1760350002 MUPBQWLTSDCNCW-IKGGRYGDSA-N 451.593 1.933 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(=O)NCC)cc1)C1CC1 1760477353 XXZFBGBZLXTRRR-FQEVSTJZSA-N 488.614 1.564 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ccc(C#N)cc3F)CC2)nnc1[C@]1(OCC)CCOC1 1760528880 PICMASFIUNMLMW-DEOSSOPVSA-N 483.548 1.570 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)N(C)C2CCCCC2)C1 1760534890 IJAOXDFYZDFPOA-WMZOPIPTSA-N 468.624 1.461 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCNS(=O)(=O)CC)C1 1760537927 UIVRVIITPYHQPS-KRWDZBQOSA-N 463.560 1.437 30 10 JDEE CCOc1cc(C)nc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)NC)CC2)n1 1765957199 BLGHQDMAWMAAGJ-UHFFFAOYSA-N 475.557 1.777 30 10 JDEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CC1 1767141385 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CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2255643382 TURMRQKADCKUDI-CHWSQXEVSA-N 453.370 1.542 30 10 JDEE CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256626632 MGHDJXKECZZHEM-GFCCVEGCSA-N 454.358 1.224 30 10 JDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C 2267363111 CXGBTSIBVZHDFR-INIZCTEOSA-N 470.397 1.458 30 10 JDEE CN(C(=O)OC(C)(C)C)[C@H]1COC[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268645777 RADJUNQUYJFVMK-KBPBESRZSA-N 467.397 1.940 30 10 JDEE C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2268653838 RXNVNUGXKOLJMG-GXTWGEPZSA-N 467.397 1.993 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268663124 HOYPSXNXSZJRBB-UONOGXRCSA-N 467.397 1.988 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268710318 NWTNRKNFGQDHRX-ZDUSSCGKSA-N 468.385 1.614 30 10 JDEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268723699 YLZDCUZHCGJMAE-AWEZNQCLSA-N 468.429 1.904 30 10 JDEE Cc1c(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281797640 XSOCRZAUQFAAJJ-XMMPIXPASA-N 454.380 1.395 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)n1 2281956386 XSVBTLRGKDZDMB-KKUMJFAQSA-N 461.372 1.632 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3[C@@H](CC[C@H]3NC(=O)OC(C)(C)C)C2)n1 2281956522 ZGECTLNOFFTSBQ-RRFJBIMHSA-N 461.372 1.490 30 10 JDEE CC(C)(C)OC(=O)NCCO[C@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282023530 OUOYWXOKJXLGQO-INIZCTEOSA-N 462.356 1.532 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C1COC1)C1CN(C(=O)OC(C)(C)C)C1 2282038832 NLNUQJIEMITUSY-UHFFFAOYSA-N 462.356 1.180 30 10 JDEE CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282089683 DMFSBHSFUCNTIE-OAHLLOKOSA-N 462.356 1.532 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282173571 KRZWDIVYGQBLIY-KBPBESRZSA-N 463.388 1.736 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCCC(C)(C)NC(=O)OC(C)(C)C 2282310893 ZXXCWLOYFNAWFM-UHFFFAOYSA-N 487.432 1.476 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@@H](S(C)(=O)=O)C1 2282538845 LNOIEMLDSNCXAS-GJZGRUSLSA-N 484.380 1.341 30 10 JDEE Cn1ncc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCCO2)c1B1OC(C)(C)C(C)(C)O1 2282569042 LLBLZPRNQOSDQZ-HNNXBMFYSA-N 464.372 1.475 30 10 JDEE CO[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nn(C)c2C)C[C@@H]1NC(=O)OC(C)(C)C 2282599166 NXIAHRCMPYOJHF-GJZGRUSLSA-N 464.372 1.392 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@@H]2[C@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)n1 2282835792 BKKOWSMTOVZXNS-IJEWVQPXSA-N 482.412 1.253 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2[C@H]3CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1 2282843294 LDQPQADEBGRBNM-GASCZTMLSA-N 482.412 1.492 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](O)(CNS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282845325 QKNVBPPPFUCLKB-QFIPXVFZSA-N 482.408 1.636 30 10 JDEE CO[C@@H]1CN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1NC(=O)OC(C)(C)C 2282860643 DRKAYQDGHQNNIT-QZTJIDSGSA-N 482.408 1.898 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1C(=O)Nc1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2284048476 OITZDZQAFVMVTF-GVDBMIGSSA-N 482.770 1.919 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)CC1 2286106943 HWSOBPHKCHYVBF-CYBMUJFWSA-N 458.290 1.875 30 10 JDEE Cn1c(=O)nc(O)c2c1nc(NN=Cc1cccc(O)c1)n2C[C@H](O)COc1ccccc1 2327751604 QZQOQYWPWOMMLO-INIZCTEOSA-N 450.455 1.427 30 10 JDEE COc1ccc(OC[C@@H](O)Cn2c(NN=Cc3ccc(C)cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 2327751686 RVTDIKYFEVAHFR-SFHVURJKSA-N 492.536 1.637 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)n1C 2362333442 SQTBHQUWIVUFNI-GJZGRUSLSA-N 464.372 1.128 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)N2CC[C@H]1C2 2368747127 JMPQNJHTOOFBHS-DLBZAZTESA-N 460.384 1.737 30 10 JDEE CN(CC(N)=O)C(=O)c1csc([C@H](N)CCCCN/C(N)=N/C(=O)OCc2ccccc2)n1 33860695 GAHMBKPRPHOESB-OAHLLOKOSA-N 475.575 1.112 30 10 JDEE C#CCCN1C(=O)[C@H]2[C@H](C1=O)[C@](Cc1ccccc1)(C(=O)O)N[C@H]2c1ccc(C(=O)OC)cc1 247807952 AVPUZZFOVFVWST-KKPNIWNPSA-N 460.486 1.808 30 10 JDEE Cc1nc(-n2cnc(I)c2I)ccc1C(N)=NO 311004830 KOAUTZWPPNCBPH-UHFFFAOYSA-N 469.024 1.879 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@@H](CN3CCCCCC3)C2)CC1 491059469 JFGRINOBQNOIIQ-QFIPXVFZSA-N 487.670 1.979 30 10 JDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCCC(=O)OC 729670272 PHQLTCCRAUQORL-HNNXBMFYSA-N 452.536 1.629 30 10 JDEE N#CCOc1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)cc1 731404701 CCVBUBRQJZOLRM-LJQANCHMSA-N 457.508 1.797 30 10 JDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C(=O)OC(C)(C)C 1135523706 NMYZIODABFNWQY-UHFFFAOYSA-N 451.545 1.398 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc3c(n2)CN(C(=O)OC(C)(C)C)CC3)CC1 1144029109 YVTQAJDVKIPOFJ-UHFFFAOYSA-N 455.559 1.272 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3cccc(C)c3)c2C(F)(F)F)CC1 1175514755 HGHIMQIQQFWDJK-UHFFFAOYSA-N 455.462 1.425 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 1227480229 SFFOJTXYJMZFCQ-OXQOHEQNSA-N 453.561 1.701 30 10 JDEE C#CCN(C(=O)NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)[C@@H]1CCS(=O)(=O)C1 1248642816 JIZOUJOQGVEWBI-GCJKJVERSA-N 458.540 1.243 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCN2CCN(C(C)=O)CC2)c1 1286311075 JQCVCKYYWDVMRH-QFIPXVFZSA-N 493.612 1.392 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1286392810 CDFJVQOPGKDPPB-IQVDJAOASA-N 492.623 1.404 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCNC(=O)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1286395703 TZALKSFROCFLMQ-QGZVFWFLSA-N 461.563 1.672 30 10 JDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1286400518 HNWFHPSTZNZDCN-XMMPIXPASA-N 450.543 1.283 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CC1(O)CCS(=O)(=O)CC1 1286429018 ZHDHSNHUKFUIFZ-UHFFFAOYSA-N 462.522 1.550 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2c(CC)nn(C)c2OC)CC1 1286488685 QWUZTBIBMFPXIL-VWLOTQADSA-N 499.616 1.249 30 10 JDEE C=C(C)Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286599186 OQUBLFIRHBPMMW-HDICACEKSA-N 461.611 1.835 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1286601274 JUQWEUFZHQWQDY-UHFFFAOYSA-N 470.578 1.540 30 10 JDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286632030 CLMNDNVMGWWMIR-UHFFFAOYSA-N 478.022 1.767 30 10 JDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1286686324 DESDUQPRLIHOJZ-LJQANCHMSA-N 454.579 1.965 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1286780426 OGHQBOBYYZKUDM-RBUKOAKNSA-N 489.646 1.291 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1Cc1cccs1 1286790935 LMBGYBQQYZURAS-SJLPKXTDSA-N 494.643 1.186 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCC2=O)C1 1286796512 TYJSVUFDFHQHJV-IEBWSBKVSA-N 488.614 1.703 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](C(N)=O)C1 1286818177 CTTVGAQHKMWIDG-INIZCTEOSA-N 455.544 1.043 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1286818991 VXCCXHFWOJYFIV-HNNXBMFYSA-N 460.526 1.957 30 10 JDEE CC(=O)N1CCN([C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCC(C)(C)O)C[C@H]2C)CC1 1286886131 AVZKHNDWNZLWCU-XXBNENTESA-N 495.628 1.879 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncnn2C(C)(C)C)C1 1296329096 HFSYYOMBUDXWDM-GOSISDBHSA-N 483.602 1.730 30 10 JDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1298132398 BGEXOJHAIPIUIB-ZWKOTPCHSA-N 463.585 1.407 30 10 JDEE C#CC[C@@H](NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1)C(=O)OC 1299178677 IJABRPMFZOTHGA-SJORKVTESA-N 456.524 1.404 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCN2CCN(C(C)=O)CC2)c1 1300336298 CICVQMADWZBFEE-UHFFFAOYSA-N 463.586 1.451 30 10 JDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1300381332 CAVTULJNEMFRRZ-SIKLNZKXSA-N 471.650 1.989 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1300487151 GYKFLSNHKJIRGK-KRWDZBQOSA-N 457.535 1.472 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCOCCCO)[C@H]1CCS(=O)(=O)C1 1300489076 IJZIERIEAKJIJR-SFHVURJKSA-N 452.964 1.624 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1300495111 CWMBIKNENLXMAN-ROUUACIJSA-N 451.593 1.309 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2N(C)CCCC2(C)C)n1 1300681574 UJVOOROTIKEXPS-NHCUHLMSSA-N 482.633 1.832 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCC(=O)NC2CC2)CC1 1300690667 GCOSXQRKQNUDTL-UHFFFAOYSA-N 452.559 1.776 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCn2ccnc2C)CC1 1300700704 UVDOVKBCPTVIIY-OAQYLSRUSA-N 498.632 1.937 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1301613331 WCKFGULXKJVPQD-MOPGFXCFSA-N 480.660 1.818 30 10 JDEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCCC1 1314959030 FEISNLQNTCVKTN-MRXNPFEDSA-N 453.547 1.593 30 10 JDEE C#CCO[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1 1347693114 GITDTSHKSLRAOQ-IRXDYDNUSA-N 451.545 1.275 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(C(=O)NCC)cc1)[C@H]1CCS(=O)(=O)C1 1358961246 VEULUMAFFOZZQR-FQEVSTJZSA-N 480.594 1.708 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1358964819 HYAJCPUCOMSITR-FPOVZHCZSA-N 487.626 1.225 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358966114 ICGBFMUCRLXCDO-LEWJYISDSA-N 473.647 1.641 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1358967460 KURQATIBWWDJHS-OZQHCQBDSA-N 452.621 1.984 30 10 JDEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1359340183 DWZVHHDGDWUUBX-UHFFFAOYSA-N 486.642 1.854 30 10 JDEE C=CCn1c(SCC[S@](C)=O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 1458826176 CSWZSQWAKGAHFN-NDEPHWFRSA-N 456.615 1.623 30 10 JDEE C#CC[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OC 1468875897 RQAAVYJIQYUQEA-ZWKOTPCHSA-N 450.557 1.198 30 10 JDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cnc3c(c2)c(C)nn3C2CCOCC2)c1 1474857194 YTVRBAZBFUKAKN-UHFFFAOYSA-N 453.524 1.990 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1507563291 DTPOTEOQBHKKHS-FHWLQOOXSA-N 451.593 1.420 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1507629004 ZGRKSNCRJWIMPL-CVDCTZTESA-N 474.583 1.614 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1507635594 UCHVKKJVOAZRCS-INIZCTEOSA-N 461.498 1.531 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CC(=O)N1CCOCC1 1507704037 NDTUDWMSSUGSTB-UHFFFAOYSA-N 462.348 1.652 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2nncn2CC)CC1 1507742245 DJIJYLFEYCJDPC-UHFFFAOYSA-N 450.522 1.634 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC 1507773590 UGODBEUMEBVQGV-DENIHFKCSA-N 459.572 1.660 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1507801883 YQHMKDJKCXJPIJ-POAQFYNOSA-N 480.635 1.509 30 10 JDEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507855919 BPHJMXVOGTXKSM-UHFFFAOYSA-N 498.813 1.769 30 10 JDEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1507896217 IAYUSZHYDZWVQK-SFTDATJTSA-N 454.593 1.271 30 10 JDEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1507950254 BMYUFQAWIATLRW-HXUWFJFHSA-N 460.604 1.861 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCNC(=O)[C@@H]1CC 1508078160 VRWYDZIJSALIQB-NSHDSACASA-N 453.366 1.786 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1508143541 ZRYFLIQSWZFMKQ-ZWKOTPCHSA-N 489.664 1.228 30 10 JDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H]1CCCN1CCCO 1516588339 AEGYJBFPYZFOBQ-FQEVSTJZSA-N 471.581 1.999 30 10 JDEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1519521955 HTQBOTMCYYKECW-IBGZPJMESA-N 492.627 1.256 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1539052637 HMKIMYAIGKNLNQ-QGZVFWFLSA-N 473.603 1.117 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1539204736 CPDSFERLJPJERK-GBESFXJTSA-N 490.582 1.129 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1539216539 UQNGAMRPUULDPU-WAIKUNEKSA-N 484.582 1.772 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(N2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 1539219648 LQPCPGRUYDJXJR-QFIPXVFZSA-N 471.627 1.988 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCC(=O)N2CCCCCC2)CC1 1539428463 RRSIHJVXXCJFLU-UHFFFAOYSA-N 457.623 1.744 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCS(=O)(=O)c2ccccc2)CC1 1539431528 UYTZYBREDWJZBB-XMMPIXPASA-N 487.626 1.549 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1539616614 RPBHFTNWYXNJMT-DYESRHJHSA-N 484.605 1.764 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1539705024 LYQHRGXAXGTKOF-LJQANCHMSA-N 492.602 1.487 30 10 JDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1539705125 PORJJBGXOSFSNP-BRWVUGGUSA-N 497.618 1.506 30 10 JDEE C#CC[C@]1(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)CCCN1C(=O)OC(C)(C)C 1540528703 WHKPYWGBHYJENF-HSZRJFAPSA-N 459.547 1.859 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2ccco2)C1 1540904454 NFEMIBMKGUETMB-HZPDHXFCSA-N 454.574 1.368 30 10 JDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)C[C@@H](C)O1 1544754666 GVODMIOZIOAJRX-IYBDPMFKSA-N 471.543 1.538 30 10 JDEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(S(C)(=O)=O)CC2 1548379190 HLJJIKDAGSFZIL-GOSISDBHSA-N 488.532 1.818 30 10 JDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N(C)C)nc1)C1CCN(C(=O)OC(C)(C)C)CC1 1558371135 YDTUSTPCSHAVQY-UHFFFAOYSA-N 450.561 1.807 30 10 JDEE Cc1c(C#N)c(NC(=O)CN(C)CC(=O)N2CCN(C)CC2)n(Cc2ccc(F)cc2)c1C 1560036555 GZIFZIVZNHXSIJ-UHFFFAOYSA-N 454.550 1.808 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2(C(N)=O)CCCC2)c1 1587693122 PHIIFAJTTXOERT-GOSISDBHSA-N 463.542 1.331 30 10 JDEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCOCCCO)[C@@H]1CCS(=O)(=O)C1 1588045365 JJKRMTANFABVLK-LJQANCHMSA-N 469.567 1.519 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1588068859 AWYAGULDRMXFHC-SIKLNZKXSA-N 460.604 1.582 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1588069090 HDTVUZKTKWRVOV-IAGOWNOFSA-N 475.596 1.241 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C1CC1 1588144156 VIRHNRQDGXEFEC-SFHVURJKSA-N 456.547 1.186 30 10 JDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1588272411 ZDAJNVCYEOXELA-SFYKDHMMSA-N 459.570 1.736 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@H]1OC 1588627958 BITYGOCKQDFDQJ-GHTZIAJQSA-N 480.569 1.812 30 10 JDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCS(=O)(=O)N2CCSCC2)CC1 1588857728 RWQKZTLCSZWBBL-UHFFFAOYSA-N 466.677 1.145 30 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30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1595789386 RPOMKOLKZJQFNE-HZPDHXFCSA-N 477.591 1.720 30 10 JDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1ccco1 1611633502 HDINVRLLKVXRCG-HNNXBMFYSA-N 456.528 1.709 30 10 JDEE CC[C@H](C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1613137168 ASCWNMUYAITLQJ-DWRORGKVSA-N 467.578 1.667 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCCO2)c1 1627409251 RLBHUJQUPQZVJD-KRWDZBQOSA-N 453.561 1.907 30 10 JDEE C#CCC[C@H](O)CNC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 1633895756 QCLVDGKTIDATQR-QFIPXVFZSA-N 455.580 1.697 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H](C(F)F)N1CCOCC1 1689840070 RVCGLOYXHOGCNM-LPHOPBHVSA-N 471.516 1.735 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1689929990 IVJSOWRKOZMAAU-RTBURBONSA-N 480.635 1.013 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689977716 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C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cnn(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 1705567259 VDDSIAWZWKZEPC-QUCCMNQESA-N 460.604 1.618 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1705569976 LNQWGXSVGBVCQS-LEWJYISDSA-N 458.584 1.496 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@@H]2C)CC1 1705644655 YJMQNGMXEZLINH-SFHVURJKSA-N 464.574 1.376 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCOCCS(C)(=O)=O)CC1 1705646266 CWDLSUHELZHKML-UHFFFAOYSA-N 494.017 1.626 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)[C@@H](C)CCC)CC1 1705647114 ALRPCYKUIGFZJP-KRWDZBQOSA-N 452.563 1.253 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1705649242 QDEPNUAUIOJHKN-QGZVFWFLSA-N 484.605 1.900 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ncccc2Cl)CC1 1705769100 IXSMWLNGAJFMRA-QGZVFWFLSA-N 482.994 1.895 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1705875883 IYTGBNPPOYAZOF-UFYCRDLUSA-N 496.678 1.677 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1705891035 VRSGRGYYZTXPOK-JKSUJKDBSA-N 470.596 1.148 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@@H](COC)O[C@H](C)C1 1705935498 TTXHYKRQCBEEJU-AEFFLSMTSA-N 452.552 1.849 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1706622033 HUDFCYFUMUKJHX-OAQYLSRUSA-N 499.641 1.435 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1722359248 KBRGLAANJATRHQ-AZUAARDMSA-N 492.623 1.400 30 10 JDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1722372576 ZPYORAIYLZCPJE-GBXCKJPGSA-N 485.610 1.695 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1722384743 XSYYLTYPGIAOTB-RXVVDRJESA-N 467.595 1.830 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cccs1 1722413543 NVJJETMMPUNUBS-HNAYVOBHSA-N 453.590 1.040 30 10 JDEE 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30 10 JDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1464365929 XUKAUSLLQPNNOU-INIZCTEOSA-N 452.552 1.489 30 10 JDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(CS(C)(=O)=O)c2)n1 1492519111 CPODKQBPYQTWQX-IBGZPJMESA-N 452.540 1.970 30 10 JDEE CCOc1cc(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)ccc1OC 1502778186 HZUUEHPEDQXMSD-ROUUACIJSA-N 454.531 1.998 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)CN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1507633208 RPCDSFUHGLHWJI-FKBYEOEOSA-N 492.690 1.420 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2c1OCCCO2 1507672285 WQKVHNRWOGQZAR-OAQYLSRUSA-N 499.593 1.284 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC2(C(N)=O)CCOCC2)CC1 1507737006 XSDJDQHWHNNOKE-UHFFFAOYSA-N 464.570 1.501 30 10 JDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507843880 XCKDMUFOGVFZMD-INIZCTEOSA-N 487.586 1.657 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1507857324 SQFZMEFWEHKTEJ-UHFFFAOYSA-N 479.368 1.858 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1508075128 UFCSSJNKPJIXGZ-FQEVSTJZSA-N 488.596 1.943 30 10 JDEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1513165952 DZPNSJFHMLGBJP-AEFFLSMTSA-N 489.602 1.229 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCN1CCCO 1539001807 JYIIIJHISKPAFN-QZTJIDSGSA-N 459.620 1.543 30 10 JDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1539142844 WIYAPCKULBRZDM-XDNAFOTISA-N 479.603 1.670 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1539230756 QCLLQFHGSXFOEK-SFTDATJTSA-N 482.610 1.840 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1Cl 1539325397 IAAAONHMNMWWBM-HXUWFJFHSA-N 492.001 1.806 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCS(=O)(=O)CC=C)CC1 1539474438 QUTLEMWTJAISTO-UHFFFAOYSA-N 499.593 1.283 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(C(N)=O)nc1 1539541039 XHEPYLCDMGICAM-XMMPIXPASA-N 493.593 1.730 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1539596443 LYZADFBXXKWCLO-OAHLLOKOSA-N 482.383 1.932 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COc2ccccc2O1 1540170872 RPGQPRMHFAIODW-PXNSSMCTSA-N 475.571 1.629 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCS1(=O)=O 1540171368 YVOIZWBGIDSGMS-SFHVURJKSA-N 496.634 1.800 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1540865297 AUFKJKWEPDKHBD-UHFFFAOYSA-N 460.604 1.670 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1540867096 KITUBAOIADXHCA-UHFFFAOYSA-N 470.574 1.959 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1540868879 VFCJNNNAWQHGCB-MRXNPFEDSA-N 469.550 1.378 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1540871892 WRNNBIIVDNTKEJ-PMACEKPBSA-N 473.666 1.795 30 10 JDEE CC(C)CN1CCO[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 1541567676 GQLVTMLUGHBEAK-QHCPKHFHSA-N 494.644 1.384 30 10 JDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 1567596127 HYURUBHLWHRWRF-GHTZIAJQSA-N 456.568 1.632 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1c(CC)nn(C)c1OC 1587931781 DTEWJMMHIPUEIL-UHFFFAOYSA-N 471.587 1.618 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1588065169 VOUXJIVBRKNXLK-FQEVSTJZSA-N 451.552 1.970 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588069476 OQXMKPVHBWHUPA-LJQANCHMSA-N 485.610 1.572 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1588073803 FEGUVGSQILSOEL-ZOBUZTSGSA-N 451.574 1.134 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1cccs1)N1CCOCC1 1588639090 ZNJTUBBZYVGDOL-MSOLQXFVSA-N 458.588 1.450 30 10 JDEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1588672153 AYINTRWXAZLRAA-UHFFFAOYSA-N 476.599 1.500 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2CCN(CCN(C)C)CC2)CC1 1588929515 BYUWZNPPKWPGRS-HSZRJFAPSA-N 485.677 1.412 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCN1CCC[C@@H]1CO 1589150546 GYIOHAJTADJEKY-WAOWUJCRSA-N 452.625 1.117 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1589406234 VQZNITLXOLXRLE-KGLIPLIRSA-N 453.341 1.901 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccc(OC)cc1 1593636168 IJFBJRJDOZHPSM-IBGZPJMESA-N 465.576 1.711 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1593636359 JIMFNRRICNSTPW-OAQYLSRUSA-N 491.614 1.810 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1595760890 UPOUQENBZZHGJI-RBUKOAKNSA-N 458.588 1.635 30 10 JDEE C=CCOc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)cc1 1595926822 CEIWHVMSDZMZND-UHFFFAOYSA-N 456.524 1.909 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](C(=O)OC)C[C@@H]2[C@@H]2CCCO2)s1 1597116040 BCCUZZPYBXGQIG-UAGQMJEPSA-N 456.586 1.714 30 10 JDEE CC(C)n1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)N(C)C)c2ccccc2c1=O 1608158502 FGTBKZXEDHWSAO-QFIPXVFZSA-N 452.494 1.766 30 10 JDEE C#CCN(CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2CO)cc1)C(=O)OC(C)(C)C 1627187039 UUDWGSIEJXKOAV-QGZVFWFLSA-N 451.545 1.641 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc3c2CCN3S(C)(=O)=O)s1 1633694565 XRQGCBODBPARQH-UHFFFAOYSA-N 455.583 1.716 30 10 JDEE C[C@H]1CCCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)[C@@H]1CNC(=O)OC(C)(C)C 1648632188 AVJDQGWKDRFLLQ-MAUKXSAKSA-N 450.561 1.988 30 10 JDEE C#CCN(C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1673068035 HISQZGPPKYBITC-HNNXBMFYSA-N 457.574 1.380 30 10 JDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)C2=O)cc1 1682226053 BFXRSOSNDJJWAS-FQEVSTJZSA-N 452.559 1.175 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1689977697 AUDXRRYIOLMRKY-GOEBONIOSA-N 464.617 1.612 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC[C@@H]1CCOc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1689977914 GZVCILTVCXUHGT-RTBURBONSA-N 485.610 1.999 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1689982099 HYASUHAXWNDSIG-IBGZPJMESA-N 496.593 1.930 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1689982600 QMKUOGUOHFLQAS-KNKQGSTJSA-N 466.604 1.515 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Br)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689986537 RXMMRNJQEHPSGD-CQSZACIVSA-N 480.388 1.423 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1689992789 OUOYPWHOWKHIPN-MRXNPFEDSA-N 460.510 1.556 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)CC1 1690237175 WHDWKXNCXNJMDP-QRVBRYPASA-N 454.641 1.648 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1690238640 LWJUVNFDZCFRKQ-NYLIBXOJSA-N 453.609 1.731 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(F)(F)F)CC1 1690312684 ALZPALRIKPNXGU-INIZCTEOSA-N 465.542 1.847 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(=O)CCC)CC1 1690659417 RYOOGLDDKZAFFL-UHFFFAOYSA-N 454.535 1.113 30 10 JDEE C[C@@H](CN1CCOCC1)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C#N)cc1 1692734998 FUTBFQRQHQLVJT-IBGZPJMESA-N 451.575 1.877 30 10 JDEE COCCN(CCC#N)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)N1CCOCC1 1698058331 FHHJFINWENASIQ-UHFFFAOYSA-N 464.530 1.560 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCCC1 1698060775 GVLJMCNQNTVCBG-SFHVURJKSA-N 484.623 1.063 30 10 JDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1705532445 NOGRYVZURMPAHQ-MKXGPGLRSA-N 493.630 1.712 30 10 JDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1705562299 ZZWQSVQHKKYXJP-UXHICEINSA-N 453.572 1.738 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705563088 QOWMJDVMMSFTKZ-QGZVFWFLSA-N 483.516 1.813 30 10 JDEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCOCCN(C)C)[C@H]1CCS(=O)(=O)C1 1705567625 ZFBRNWVZODXCGV-SFHVURJKSA-N 470.599 1.631 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1705568347 LRHMKQGULMTFPX-IBGZPJMESA-N 497.577 1.944 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC2CCC(OC)CC2)CC1 1705645330 QLNJUAZPLGGLCX-ZJRDLVKKSA-N 494.662 1.449 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1705901932 ZWXFRAMFHXPBRT-ZDUSSCGKSA-N 478.456 1.498 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1705936105 KBAMTMFNGNZYDK-UYAOXDASSA-N 462.572 1.667 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](COC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705938578 CTLPHDQMNSERBT-KSZLIROESA-N 499.634 1.501 30 10 JDEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C)C(=O)[C@H]1C 1705944213 YJURLRSWKQZFDV-OAHLLOKOSA-N 463.633 1.824 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cccc(C#N)c2)n1CC(=O)N(C)C 1708152730 HCPGMOWWLGDXBG-INIZCTEOSA-N 456.514 1.282 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2ccco2)c1 1722309810 PYKADVMLAKQXEQ-SFHVURJKSA-N 475.509 1.308 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1722333786 ZLDNOCMAHJDZSC-RXVVDRJESA-N 490.605 1.879 30 10 JDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(Cc2cccs2)CC1 1722345704 RAFHAENFNKDHGU-INIZCTEOSA-N 450.634 1.931 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1722357765 ABZIVUYPCUWFPT-INIZCTEOSA-N 485.957 1.649 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(N2CCN(CC)CC2)nc1)[C@@H]1CCS(=O)(=O)C1 1722366699 JVOACCOYCPNRJH-JOCHJYFZSA-N 499.685 1.689 30 10 JDEE C#CCN(c1nnc(COCC)n1CC[C@H](N1CCOCC1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722369907 INPZHWAOCBFUMT-SJORKVTESA-N 493.552 1.095 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](C)N(C)C)CC1 1722445114 LSUIQYSOINCWDF-QGZVFWFLSA-N 452.559 1.632 30 10 JDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1722477445 GMIAWTSVCGGCPZ-CYBMUJFWSA-N 485.408 1.793 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 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1.858 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](OCC=C)C1 1286786347 CBHRBCLZFHERQY-INIZCTEOSA-N 459.576 1.322 30 10 JDEE CC(C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)N1CCOCC1 1288816699 GGWFBZUOGPGFIV-HKUYNNGSSA-N 467.640 1.375 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(N(C)C)CCOCC1 1300298269 BJLWGVWCGGXNLZ-KRWDZBQOSA-N 459.620 1.807 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCOC[C@H]2C)c1 1300332740 MMLBMYYQOKLDKD-KPFFTGBYSA-N 450.543 1.958 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N[C@H](C)c1ccccc1 1300464436 FAPGUUNIXMPICC-QUCCMNQESA-N 474.631 1.810 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1300504294 LJMOYPDUUFIJOU-QWFCFKBJSA-N 477.631 1.350 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCC2CC2)CC1 1300718334 KJWAWPOWJKSJLH-UHFFFAOYSA-N 455.950 1.486 30 10 JDEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(N)=O)C1 1300829399 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C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1358963722 MXHIOOLSZCGJAY-DLBZAZTESA-N 454.618 1.387 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCS(=O)(=O)C1 1358971095 IEZBAQQHKMQBDZ-CQSZACIVSA-N 450.362 1.554 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1359028011 DCSCEAUDWTYXTI-BGYRXZFFSA-N 457.623 1.157 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1359132972 IUCPIJUHOFZKNN-XUVXKRRUSA-N 467.636 1.320 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1359302482 IUUWJJJCPFROHQ-UHFFFAOYSA-N 489.580 1.466 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C)C(=O)C1 1359329503 LFOUGMYUNQZAJX-UHFFFAOYSA-N 463.560 1.232 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1359333045 MXPWYPISZQVGPI-ROUUACIJSA-N 451.593 1.125 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1359335111 BCDIWZUTAZBIKQ-JOCHJYFZSA-N 483.635 1.226 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1359343734 ZNVOSRRBDJDTSE-RDJZCZTQSA-N 499.684 1.944 30 10 JDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1470238085 YYRAIFZBMMBWQS-MSOLQXFVSA-N 471.601 1.148 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2NC(=O)CC2(C)C)c1 1507549239 FWUKMZYNXVMXAC-IBGZPJMESA-N 458.526 1.706 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCC2CC2)C1 1507564698 VKBGSLFQSVUJAN-UXHICEINSA-N 465.620 1.810 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 1507634592 ZOPWXIPEZVOSLT-HZPDHXFCSA-N 450.511 1.930 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1507667418 MMIULSAZUDJSEK-IBGZPJMESA-N 492.605 1.963 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1/N=CC=CC1=O 1507704633 IAQSAXALERRNFT-ZZEZOPTASA-N 455.906 1.606 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507712366 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C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1594813092 OCSYGQKIBXYVBH-KRWDZBQOSA-N 453.609 1.468 30 10 JDEE CCCOc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@]2(O)CCS(=O)(=O)C2)cc1OC 1614991774 HOMODHUQQKMTKM-KSFYIVLOSA-N 477.587 1.888 30 10 JDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1 1621673173 DLSAUUSNCNZPGL-AABGKKOBSA-N 468.597 1.534 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@H](C)C(=O)Nc2nnc(CC)s2)c1 1627007165 TXMSMSBKLSEOPT-QWHCGFSZSA-N 451.574 1.958 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2COCCN2C(=O)OC(C)(C)C)ccc1F 1631738949 ULIJKCAYJHLRGA-HNNXBMFYSA-N 457.524 1.656 30 10 JDEE CN(C)S(=O)(=O)C[C@H](NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)C(F)(F)F 1671747273 IDRSTOMMRUSQOL-HNNXBMFYSA-N 451.446 1.351 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1CCN(C2CC2)CC1)[C@@H]1CCS(=O)(=O)C1 1689977820 DLMNODJGJSGXIH-OAQYLSRUSA-N 490.674 1.698 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689982136 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C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCS(=O)(=O)C1 1705552427 KTMUEDPYGQTLEE-IAGOWNOFSA-N 451.593 1.897 30 10 JDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC(=O)N(CCOC)C1 1705559300 WUUSPSBMLILQDV-OKZBNKHCSA-N 460.579 1.613 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1705560251 FJPYRUKIFLIMDQ-WMZOPIPTSA-N 494.664 1.728 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705566028 LIEOLOZZSYGUST-SJLPKXTDSA-N 455.544 1.258 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1705572011 ONECAAYDTFALSR-VAMGGRTRSA-N 495.715 1.872 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2c(C)noc2C)CC1 1705641959 ABNUCKNKMAEDJG-UHFFFAOYSA-N 453.572 1.872 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1705660164 OJNZNWACCUUASZ-MRXNPFEDSA-N 456.532 1.225 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705695494 XMXOIRTVOHNKOP-MJGOQNOKSA-N 480.635 1.356 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSCCS1 1705716382 JDTFLWCPSAIFOR-HZPDHXFCSA-N 461.679 1.862 30 10 JDEE C=C(Cl)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1705752582 ABYZSKNAVSVZNR-UHFFFAOYSA-N 471.949 1.722 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(-n2cncn2)c1 1705876124 POIPHIOESKCHDA-HXUWFJFHSA-N 484.586 1.418 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1705896077 BETQMMBRJXSUTA-UHFFFAOYSA-N 463.560 1.278 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705905095 JOWZLHOVZALMNP-OAQYLSRUSA-N 467.618 1.396 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCO2 1705935955 HDOOJBCGJOHEHG-MRXNPFEDSA-N 482.584 1.146 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CN(C)C)c1 1706074949 HESZQCCIRMOYTF-FXAWDEMLSA-N 475.619 1.317 30 10 JDEE CO[C@H](Cc1ccccc1)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1711527236 HBMOAGXAKVNORZ-RLLQIKCJSA-N 476.603 1.465 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1722323277 CAWUQXYSFTXFKC-GOSISDBHSA-N 490.605 1.722 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(C(C)(C)O)c1)[C@H]1CCS(=O)(=O)C1 1722366921 KVNYYBLJJHPTNM-QUCCMNQESA-N 458.584 1.684 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCC(O)CC1 1722396468 IVEWTVVVOKFDFJ-HSZRJFAPSA-N 495.649 1.648 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1722446015 JIYAORJYZPHOLY-LJQANCHMSA-N 484.605 1.948 30 10 JDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1722543526 QOHKKAJEOPZLKF-SJORKVTESA-N 478.015 1.385 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1722693641 VRAWTWYFBRGKIM-UHFFFAOYSA-N 487.504 1.544 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(NC(C)=O)CC2)cc1 1722702397 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30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1cnn(-c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 1507638369 PYQADWRFEGETKY-FQEVSTJZSA-N 454.556 1.675 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(OC)CCOC1 1507711156 PBENRKXDWISEBF-MBSDFSHPSA-N 479.578 1.478 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)N[C@H](C)c2ccccc2)CC1 1507720418 DINLMDANCOGXRT-UXHICEINSA-N 487.674 1.773 30 10 JDEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1507749173 PWWMSXIVMGECMH-UHFFFAOYSA-N 494.625 1.341 30 10 JDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)CCN1CCOC(C)(C)C1 1507752284 VVDHETXRPKPFHB-UHFFFAOYSA-N 460.604 1.919 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1508078426 AKIFCCFRMHCNFD-IBGZPJMESA-N 473.541 1.517 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1508079366 SHZLPTNTOBLYCJ-UHFFFAOYSA-N 464.530 1.381 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C(=O)OC)C1 1508136930 WTTULJHAALAPJE-LBPRGKRZSA-N 472.365 1.636 30 10 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CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C1 1541039320 BPWCWTSFGWHTCS-IBGZPJMESA-N 467.574 1.996 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC1(O)CCCC1 1541942443 DNELCFPOFKZTOF-INIZCTEOSA-N 491.593 1.531 30 10 JDEE C#CC[C@H]1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)C1 1542600549 UGUUBXDNCJMUTM-SFHVURJKSA-N 458.584 1.882 30 10 JDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCNS(=O)(=O)CC 1545545911 GYWCTMDBCIMXKX-HOTGVXAUSA-N 461.596 1.108 30 10 JDEE N#Cc1ccc(C2=CCN(c3nnc([C@H]4CCC(=O)N4)n3CC(=O)NCC(F)F)CC2)cc1 1555987111 AZDPZCYJVWPMOV-QGZVFWFLSA-N 455.469 1.776 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1588024750 KOGCKRUKEGBOSW-KRWDZBQOSA-N 474.612 1.306 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCNC(=O)c1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1588041029 UDLQFVPMGHFPJS-IBGZPJMESA-N 497.577 1.912 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCN1CCC[C@@H]1CO)[C@H]1CCS(=O)(=O)C1 1588055002 RGHFXMLSFIAOTD-HKBOAZHASA-N 479.647 1.383 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1588070210 XHKBTFNUINVYTL-NHCUHLMSSA-N 488.610 1.906 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)N(C)C 1588233960 XELIXKAAMGUBOZ-FCHUYYIVSA-N 484.626 1.377 30 10 JDEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1CC1(O)CCS(=O)(=O)CC1 1588694749 CJZPTIMYSRIJHH-UHFFFAOYSA-N 476.599 1.500 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 1595722803 NHNAQPYSXFKSLF-UXHICEINSA-N 494.639 1.554 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1595773294 WWWGFAZUVKMCPR-UHFFFAOYSA-N 459.532 1.034 30 10 JDEE CC(=O)Nc1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)cc1 1596311438 GFXGNSDFLZAWBM-OXJNMPFZSA-N 489.602 1.408 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCNC(=O)c1ccco1 1609508540 BDKYZKMOHYKCPJ-HXUWFJFHSA-N 477.525 1.889 30 10 JDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1616207826 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C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1705778293 QKVOKFVTSHKXJS-JOCHJYFZSA-N 462.572 1.914 30 10 JDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCCC2=O)C1 1712695053 IBFLAJDMOAZWKZ-HXUWFJFHSA-N 486.598 1.755 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1722301608 MMNKGEXBDHLWLG-VXKWHMMOSA-N 484.670 1.926 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1722324156 LXYQHNJDFYLZGV-GOSISDBHSA-N 455.588 1.496 30 10 JDEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1722365486 DWQLLGVAGMJTOW-QUCCMNQESA-N 487.630 1.361 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(C(=O)NCC)cc2)CC1 1722429582 OICFXQRUSZEYGG-UHFFFAOYSA-N 465.602 1.750 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1722429683 VDHCLNMICKRZGI-AQNXPRMDSA-N 465.620 1.810 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2cnn(C)c2)CC1 1722584118 YASYOTVRDIEFCN-LJQANCHMSA-N 463.608 1.380 30 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461.521 1.836 30 10 JDEE COC(=O)c1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2c(C)nn(CCO)c2C)n1 59887994 ZXEFHBQOHFVBOZ-UFFVCSGVSA-N 472.531 1.574 30 10 JDEE COc1ccc(Br)cc1C=NNc1nc(SCC(=O)N2CCN(C)CC2)n[nH]1 1083903893 HWISGPGOHLBHRM-UHFFFAOYSA-N 468.381 1.888 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1286383718 ZINLZJMNYJDEQG-BZSNNMDCSA-N 472.571 1.367 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1CCCC 1286411199 ZVHDZSAFROAFRE-NHCUHLMSSA-N 476.647 1.338 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1286445818 BVITWMAUSLLPGV-SFHVURJKSA-N 496.634 1.470 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1286465943 VAOXIPLSGPRYRX-ZWKOTPCHSA-N 460.579 1.962 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCC(=O)N2CCCCC2)CC1 1286491485 UCWZIUMFAWLNIW-UHFFFAOYSA-N 463.586 1.632 30 10 JDEE C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(=O)NC)C1 1286541119 HFDCFFKQFOFOQI-HOTGVXAUSA-N 464.320 1.650 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(S(=O)(=O)CC)CC1 1286563815 KSRJAIBPQXTXBL-UTKZUKDTSA-N 465.620 1.785 30 10 JDEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286604411 SMWQJHAGPKLDJN-SFHVURJKSA-N 484.557 1.092 30 10 JDEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1286679442 PNWKDZFJRDAGKS-MOPGFXCFSA-N 458.588 1.671 30 10 JDEE C=CCCOCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286706886 WBGMHJKPKVRVTO-VQTJNVASSA-N 452.559 1.560 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(C)=O)CC1)C(C)C 1286750620 DVFMIRDSNHOZEF-LEWJYISDSA-N 457.623 1.986 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccn2)CC1 1286795362 IVNJBJQGAHEIJZ-SFHVURJKSA-N 498.613 1.618 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1286821837 BUHXAQPTGSOCLA-INIZCTEOSA-N 450.565 1.916 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C2CC2)C(=O)C1 1286823191 MDQFHXUGINKZAB-UHFFFAOYSA-N 473.599 1.886 30 10 JDEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1297954064 DITCNFVZEDJXFK-RBBKRZOGSA-N 492.628 1.851 30 10 JDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1297963289 CVBNTKZQIRNACT-FQEVSTJZSA-N 465.558 1.513 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300299579 RLNQAWNEOUBYTG-NVXWUHKLSA-N 499.563 1.959 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCS(=O)(=O)CC=C)[C@@H]1CCS(=O)(=O)C1 1300489767 RWANSOXGXSJKNB-MRXNPFEDSA-N 452.558 1.074 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1300490669 BEVHJDHGSMZNLV-BPUTZDHNSA-N 462.601 1.425 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1300498022 FZYOPNUEEJUEOK-IAGOWNOFSA-N 461.554 1.988 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1300764288 VVPNVJFXDTZYJT-LJQANCHMSA-N 474.612 1.485 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C1CCCCC1 1300805866 JVBACNUOWOXGMP-NFBKMPQASA-N 478.663 1.868 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCSC2)C1 1300850155 WZNFHUFSTZJYIX-YOEHRIQHSA-N 492.465 1.853 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 1300856557 GNDFFPUVZXRNCU-UHFFFAOYSA-N 466.384 1.647 30 10 JDEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1300950601 IVUFPEFXFSICTP-GOSISDBHSA-N 460.608 1.546 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1301236927 KSEMPFZTGKVFNW-UHFFFAOYSA-N 467.578 1.347 30 10 JDEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@H]1CC 1301252424 NCBMVBFATCGCPB-LJQANCHMSA-N 465.558 1.982 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCCS(C)(=O)=O 1301501152 STRVJGBWPLPMGT-UHFFFAOYSA-N 498.650 1.566 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1301587906 ASVSOMFUPSAPHC-QLFBSQMISA-N 466.576 1.509 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1301588054 BTBZVDFLNOJHDY-QUCCMNQESA-N 493.655 1.862 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CCCO)C1 1301649846 BKORWOAOMVZNGA-FYYLOGMGSA-N 465.602 1.968 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)[C@H](C)C1 1301758666 KMIKFECDCMRFPV-MWTRTKDXSA-N 451.531 1.264 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCCCS1 1303858354 BSQOBFPSVRSHNI-AEFFLSMTSA-N 490.659 1.767 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCCCO1 1303861050 DISKWYBNAZNARX-SJLPKXTDSA-N 474.591 1.051 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2Cc2cccs2)C1 1316353977 DQXRGFMQPRGPLQ-KRWDZBQOSA-N 450.590 1.851 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN(C)c1ccccc1 1358889430 BRWKWJWXAUZZOL-PZJWPPBQSA-N 474.631 1.986 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccco2)C1 1358912978 CJAYYVIFDBTMBJ-OALUTQOASA-N 463.560 1.585 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1358948553 FGZBNHYNHPMOGO-FGZHOGPDSA-N 486.642 1.245 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1358957846 BGVYGRBQYDPMBS-QZTJIDSGSA-N 460.556 1.768 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2scnc2C)CC1 1359045600 NILCVPOGCIHAJS-KRWDZBQOSA-N 476.628 1.154 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1359065549 TYBHMPINASGTTB-GWGOZDFZSA-N 454.531 1.449 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1CCOCC1 1359089337 GZXQXZYZOLJCMW-ICSRJNTNSA-N 455.563 1.675 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1359291014 AWLASIRUEOJKQZ-QFIPXVFZSA-N 494.644 1.666 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1359310844 ILYZPYJDERGDFE-SFHVURJKSA-N 474.587 1.252 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1359327040 QHKCSAITAQKHEN-NRFANRHFSA-N 453.609 1.756 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1359333877 MSCCEIWPCQBHAZ-JOCHJYFZSA-N 471.587 1.350 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1C1(c2ccccc2)CCC1 1359335958 ZVBFJSNBHSVENX-UHFFFAOYSA-N 493.655 1.431 30 10 JDEE C=CCOC[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)C(=O)OC 1448484791 ZRBBNOBDHWKZNZ-IBGZPJMESA-N 452.529 1.150 30 10 JDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H](C)O)cc1 1463586599 CNWKRNQTQZCNSM-XMSQKQJNSA-N 456.568 1.239 30 10 JDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)F)CC2)c1C#N 1467232455 GFIQQZQRJGULLF-HNNXBMFYSA-N 455.510 1.980 30 10 JDEE C#CCN1CCC[C@@H](NC(=O)CN2CCN(Cc3ccc(Br)cc3F)CC2)C1 1471833228 SKYFCXCCNXOMKU-LJQANCHMSA-N 451.384 1.920 30 10 JDEE Cc1nnc(CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)s1 1492767827 DSKUBYUSKIRGOH-INIZCTEOSA-N 472.962 1.993 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2NC(=O)CC2(C)C)c1 1507549242 FWUKMZYNXVMXAC-LJQANCHMSA-N 458.526 1.706 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1507574321 MWQCLPKHJLFJNK-CVEARBPZSA-N 464.596 1.130 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507629938 RCTFTMKHOMBVSB-JTAQYXEDSA-N 496.637 1.943 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1507639230 JVRRIBKMKOFKJD-FQEVSTJZSA-N 453.572 1.404 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NC(C)C 1507665454 OCZKLQRDJILVGR-UHFFFAOYSA-N 455.588 1.616 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1N1CCOCC1 1507679438 MWIYUMYPJBTINJ-INIZCTEOSA-N 464.567 1.372 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCCN2CC)CC1 1507730912 YQAUDFJPRVDJET-SFTDATJTSA-N 487.649 1.826 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCSC2(C)C)CC1 1507735832 IDIUWCVLDXTTGM-DOTOQJQBSA-N 482.676 1.386 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCc2ccccc2)CC1 1507752047 UNAMVCCPAKKRDX-OAQYLSRUSA-N 473.668 1.911 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1507783977 FPOJAMITVFEHGC-HUUCEWRRSA-N 471.381 1.191 30 10 JDEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1507896206 IAYUSZHYDZWVQK-LEWJYISDSA-N 454.593 1.271 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1507933759 BASJJXHZBADMMS-KSZLIROESA-N 466.608 1.215 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1508075481 WFGKNKWVOFNRIO-TZMCWYRMSA-N 462.352 1.063 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc(Br)cs1 1508086496 LXGLYHJXSGGZPK-ZDUSSCGKSA-N 453.366 1.992 30 10 JDEE CC(C)(C)NC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1510289179 CDJVHDUKSWKKEV-IERDGZPVSA-N 481.623 1.046 30 10 JDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1519109380 AWFHAHLAYPWBDS-FQEVSTJZSA-N 452.563 1.435 30 10 JDEE C=CCN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](Cc1ccccc1)C(=O)OCC 1537317109 MAMBNNWLMCLDFZ-IBGZPJMESA-N 455.536 1.914 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)OC(C)(C)C)c1 1539042539 HSHGEBKMXHKRPT-GOSISDBHSA-N 481.557 1.810 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539176556 QNLHBKTYRCCGRN-QZTJIDSGSA-N 480.635 1.744 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)COCc1ccccc1 1539177853 BXDBGFPONKZPIP-UYAOXDASSA-N 461.588 1.533 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1539229717 HNKHLOFXXNEPMB-GOSISDBHSA-N 488.545 1.947 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccc(F)cc1 1539267356 YPEIWGBQODLZQH-HXUWFJFHSA-N 475.546 1.292 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nncn1CC 1539384743 NPGVOQXHJDTMPF-HNNXBMFYSA-N 460.539 1.327 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)C(=O)NC)CC1 1539482712 OQCWKBAZNBGHCR-UHFFFAOYSA-N 454.550 1.746 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1539683183 CZVPWVCBZMOOLA-QGZVFWFLSA-N 462.576 1.923 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CC2(O)CCS(=O)(=O)CC2)C1 1540888462 QKONXBDHPFBMPZ-KRWDZBQOSA-N 462.572 1.675 30 10 JDEE CCOCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1548065128 BORAMZJKLLYDNG-SFHVURJKSA-N 452.563 1.885 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCC1 1554165081 HYDVNQRTHQOILO-GOSISDBHSA-N 460.560 1.034 30 10 JDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1555077982 HXDUOCSAFDPSIG-NHCUHLMSSA-N 481.601 1.549 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1588035515 UMQFOFDOZBFSRY-QGZVFWFLSA-N 454.556 1.733 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588045698 OVZGQYGXCWWTNH-CYBMUJFWSA-N 473.452 1.389 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cnc2ccccc21 1588233773 QHUGIZNGAGPCEL-NRFANRHFSA-N 481.582 1.124 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC1(N(C)C)CCOCC1 1588672289 DAWDLYDVHWBUDL-UHFFFAOYSA-N 451.575 1.713 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2C[C@H]2CCS(=O)(=O)C2)n1 1588723681 OQHDWTMLCDGMGD-LJQANCHMSA-N 468.583 1.863 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCCS(C)(=O)=O)CC1 1588806518 UFKYIBRISQJUPA-UHFFFAOYSA-N 454.556 1.790 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCS(C)(=O)=O)CC1 1588899707 VBORTTREEADXEP-UHFFFAOYSA-N 494.415 1.718 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)N2CCOCC2)CC1 1588930570 ZGEAKSGYVIFKEN-HXUWFJFHSA-N 458.607 1.596 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1594236559 FOIXWDSHTJDLRZ-AZUAARDMSA-N 450.653 1.609 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC)[C@H](C)C1 1595488685 AMCQQQRIHIRHSH-CQSZACIVSA-N 450.385 1.879 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1595517211 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1.710 30 10 JDEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1705793818 LCBMUADNAJTROB-UHFFFAOYSA-N 450.551 1.202 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cc(C)oc1C 1705884602 STLNKWLAZHPUGJ-LAUBAEHRSA-N 452.577 1.937 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC2(CCCCC2)C1 1705897089 FYKQPSAWIIVCTH-HNNXBMFYSA-N 456.638 1.447 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](COC)C1 1705900967 VZAMEOPOOMQPEE-ZWKOTPCHSA-N 495.584 1.778 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1705939222 UWEMTKSQAFHUFO-CQSZACIVSA-N 469.505 1.753 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1710887301 FNGSBNNHMAHOLV-KRWDZBQOSA-N 489.602 1.067 30 10 JDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1710983562 CPMJXYYIJRSDGY-UHFFFAOYSA-N 495.584 1.282 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1722323301 CIGPHVUDSWDCEY-QGZVFWFLSA-N 450.609 1.673 30 10 JDEE C#CCN(c1nnc(C)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1722363535 GHPJJZLOQNSLGE-ROUUACIJSA-N 451.593 1.860 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1722368058 YNBBAAWTQYWPOL-XXBNENTESA-N 474.583 1.310 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1722368629 SHJJOUFJPUEUDL-ROUUACIJSA-N 487.582 1.116 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1722370876 FOPDSZCOXZCQTQ-HXUWFJFHSA-N 482.610 1.840 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnn(C)n1 1722399884 GVWLHHHBTPEIRW-KRWDZBQOSA-N 453.551 1.427 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCn2cnc3ccccc32)CC1 1722430541 DYXCJGKJGVRSTP-GOSISDBHSA-N 470.603 1.084 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)CN(C)C)CC1 1722434692 XWVSMXIQFHBGTI-UHFFFAOYSA-N 458.632 1.692 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCOC1=O 1722449311 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491.662 1.093 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1359298022 JZOIKDJNCZWOQP-GOSISDBHSA-N 462.558 1.929 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1359299751 MTNBJWQOEYUQLU-IAGOWNOFSA-N 458.567 1.303 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1359330917 GYHWJRYDFPPPCX-IBGZPJMESA-N 495.609 1.982 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCOC[C@@H]1C 1359332826 HZMXLCGOCWKAAB-KRWDZBQOSA-N 461.592 1.278 30 10 JDEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)CC1 1359378418 OBKDJEJVVAUMPO-UHFFFAOYSA-N 467.574 1.950 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccn1 1360475455 AWYPJJBIPXREFV-DLBZAZTESA-N 461.592 1.722 30 10 JDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[C@H](C)O)cc1 1463586591 CNWKRNQTQZCNSM-AVRDEDQJSA-N 456.568 1.239 30 10 JDEE N#Cc1ccccc1N1CCN(C(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1 1468769536 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30 10 JDEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 1628894903 FCZPGAPGXGOFTG-RTWAWAEBSA-N 451.502 1.137 30 10 JDEE CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N1CCN(c2cnccc2C#N)CC1 1636777369 CNHZTTVXLDZJCY-FQEVSTJZSA-N 453.568 1.919 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(=O)(=O)CC=C 1649539323 KYDLZPYAPRTBMF-OAHLLOKOSA-N 464.617 1.605 30 10 JDEE CCN(C[C@@H](C)C#N)C(=O)CN1CCN(C(=O)COc2ccc(Br)cc2)CC1 1657311535 HKIMWSJHJHOXFP-INIZCTEOSA-N 451.365 1.980 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)CC1 1665426631 OBSZJVSJOJIYJY-UHFFFAOYSA-N 456.450 1.508 30 10 JDEE C#CCN(C(=O)NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)[C@H]1CCS(=O)(=O)C1 1682490015 MFEYXRQZVZFVID-PGRDOPGGSA-N 458.540 1.243 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1CCN(C(=O)OC)CC1)[C@@H]1CCS(=O)(=O)C1 1689989666 HTTONTBHWJAULO-RTBURBONSA-N 479.603 1.625 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCSc1nccs1 1690077696 UWZNOVIVOHLBOV-HNNXBMFYSA-N 470.646 1.709 30 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30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN(C)c1ccccc1F 1692798787 BHOUUSGKQYUJCB-HOTGVXAUSA-N 465.555 1.283 30 10 JDEE Cc1nc(CN2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)N(C)C)CC2)cs1 1693367950 AZDDHIMRAQUSEC-UHFFFAOYSA-N 450.572 1.992 30 10 JDEE N#CCC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCCS2(=O)=O)CC1 1698493887 BYAIFCZBEDAYBZ-UHFFFAOYSA-N 477.616 1.435 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCN1S(C)(=O)=O 1705488754 GBUZVQXBQSHTFI-HZPDHXFCSA-N 479.632 1.120 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCOC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1705571861 JVKROZFHHLSJSB-GUDVDZBRSA-N 452.577 1.342 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC(=O)NCC2CC2)CC1 1705634522 ZOCFLOMRDUKURE-UHFFFAOYSA-N 487.402 1.998 30 10 JDEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1705643185 VLJKKBASZPJTAA-UHFFFAOYSA-N 468.627 1.916 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1705647211 CMLRRWAOPNWEDZ-SFHVURJKSA-N 496.568 1.269 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1705652627 HJMOSKFXHPZOKY-UHFFFAOYSA-N 474.616 1.587 30 10 JDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1705726571 TYOBUFNTJSNTRV-FQEVSTJZSA-N 487.630 1.970 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1705731442 XYGJVGAUBDCGSN-HSZRJFAPSA-N 490.630 1.751 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1705934236 GCLJQECOWSXULB-UHFFFAOYSA-N 450.609 1.873 30 10 JDEE CS(=O)(=O)N1CC[C@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@](F)(C#N)C2)C1 1712703455 CCSYOBMLRBLSIF-OXJNMPFZSA-N 450.515 1.731 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1722357796 AJXKACOMFCNTFM-IBGZPJMESA-N 471.583 1.528 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722360838 CCXZCWUNJFVKRN-OAQYLSRUSA-N 483.594 1.887 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1722365490 DZUPSYAJAFVWLW-MOPGFXCFSA-N 492.623 1.276 30 10 JDEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1722365806 FMSIROFJJCSQSA-MSOLQXFVSA-N 498.609 1.727 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(F)(F)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722368295 PIMITMOOSBFQPS-IAGOWNOFSA-N 463.510 1.648 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(C)(C)C)cs1 1722397139 NJNSPLBAOLOQOQ-QGZVFWFLSA-N 490.655 1.876 30 10 JDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCS(=O)(=O)C1 1722426471 CHGKBMYPYYGTDV-MRXNPFEDSA-N 465.601 1.180 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2cccc(C(F)(F)F)n2)CC1 1722436866 MMWDBQOGHCETFJ-OAHLLOKOSA-N 463.464 1.477 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCCN2CCOCC2)CC1 1722449431 SARJIVWOFNJDBR-UHFFFAOYSA-N 468.577 1.696 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722507988 ZJNHEHFBRGHANA-LAUBAEHRSA-N 480.635 1.242 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C(=O)NCCOC)CC1 1722683723 XKESDXIMERQOTE-UHFFFAOYSA-N 476.603 1.360 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCCCO1 1722696720 DGJAPALSCQSXLO-MRXNPFEDSA-N 451.531 1.500 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(S(C)(=O)=O)cc2)C1 1722715291 RXHXNBKTHYMSPP-HKUYNNGSSA-N 459.572 1.657 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1722724967 JXRJMPHZAWZBDH-UHFFFAOYSA-N 480.679 1.819 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1722727176 GNDPENDLUZZRIM-KRWDZBQOSA-N 450.540 1.981 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](C(=O)NC)C1 1722730049 GSZNTQPMHYWIPL-QGZVFWFLSA-N 470.599 1.913 30 10 JDEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)c1 1724188339 FFBPSPHJLVMMSV-LJQANCHMSA-N 475.571 1.142 30 10 JDEE COC[C@@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1730452950 FVSSZBVEFSUUGM-QFBILLFUSA-N 462.576 1.402 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1740618292 GGEWLWNEYOMBKR-DNVCBOLYSA-N 498.403 1.468 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1740620095 NHOVNXCWKLDMAF-HSZRJFAPSA-N 495.653 1.471 30 10 JDEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCOCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1740621680 YRYGWKPJFFMDOF-HXUWFJFHSA-N 482.610 1.698 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 1740625001 NGDIVTXQEDQEHC-KRWDZBQOSA-N 463.510 1.354 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1740626356 WWKPZJXWAGAXEF-UYAOXDASSA-N 476.672 1.992 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1740637923 FFBYMXGHMPOBDT-UHFFFAOYSA-N 478.578 1.715 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCNS(C)(=O)=O 1740639809 XUZSHQZIOXMGCH-UHFFFAOYSA-N 478.619 1.405 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CCCCC1)N(C)C 1740657712 WMEVRVRJCIDIMR-FCHUYYIVSA-N 490.674 1.584 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](Cc1ccccc1)OC 1740671678 MEMMKGLMWHHKCK-VQTJNVASSA-N 461.588 1.328 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1740700999 QKIAXGLLVQBIEW-RTBURBONSA-N 457.623 1.503 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCn2cncn2)CC1 1740707080 NWTVUNFUVOBRBX-UHFFFAOYSA-N 454.485 1.405 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)N2CCCCCC2)CC1 1740708637 WXDOEKGABONQRH-UHFFFAOYSA-N 483.617 1.159 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1740750704 TWTAEXRPVOPCIS-IFMALSPDSA-N 487.649 1.486 30 10 JDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740783888 YFVHTGNSFXGDOI-NRFANRHFSA-N 457.560 1.660 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1740963846 YSPTYGOTUYRVKN-UHFFFAOYSA-N 472.491 1.464 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740993472 BOBOOTBKXQTOQK-INIZCTEOSA-N 463.560 1.133 30 10 JDEE Cc1ccc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@@](F)(C#N)C2)c(=O)n1C 1742225599 HRULFNRYGIYPRN-HSZRJFAPSA-N 499.572 1.693 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C)n(C)c1=O)[C@H]1CCS(=O)(=O)C1 1748808119 IFLQRULYPMQHEQ-NRFANRHFSA-N 476.562 1.499 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(O)CCS(=O)(=O)CC1 1748888955 CAQSOCHZQIJVBX-UHFFFAOYSA-N 456.524 1.076 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(c3ccc(F)cc3)CC2)CC1 1748972059 BAGVCGUKCNLFTR-QGZVFWFLSA-N 460.579 1.514 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@]2(OC)CCOC2)CC1 1748977966 GOVVLHQYLKYTCL-XMMPIXPASA-N 471.558 1.532 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1749009079 MEMINBHOPVREEY-UHFFFAOYSA-N 451.518 1.952 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccc(F)cc1 1749066249 IXABOWDPWSWRJO-PMOQBDJRSA-N 491.589 1.650 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749175919 ULMYMZRCMTUTFU-SFHVURJKSA-N 473.603 1.812 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1749193755 PGUUWIXGZWAWRT-GOSISDBHSA-N 462.576 1.570 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1749426716 GGSUOZONLWMRNS-SOUVJXGZSA-N 467.514 1.733 30 10 JDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1749430362 SCSBELUZRGYDFS-OAHLLOKOSA-N 465.605 1.471 30 10 JDEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1749510618 MOWDYKIOACSCAJ-KRWDZBQOSA-N 456.366 1.740 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(C(C)=O)CC1 1749530303 YGDUFZKPNGWDLX-JOCHJYFZSA-N 481.601 1.595 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](N2CCCC2)C1 1749721775 SYVSSGXYWRUVRN-GOSISDBHSA-N 473.603 1.591 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1749739881 MAQZEWHITWZLJF-INIZCTEOSA-N 481.962 1.752 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCC2(CC1)COC(=O)N2 1749740420 VIIRMXKRXIPACH-UHFFFAOYSA-N 491.570 1.545 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)cs2)CC1 1760131633 WTOQYPDTQKHIOG-INIZCTEOSA-N 451.622 1.783 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCN(C(C)=O)C1 1760216384 LNQPKTZNHNMGMO-FQEVSTJZSA-N 471.565 1.913 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(OC)c1 1760219830 PJVZHXVZOUDKPI-OAQYLSRUSA-N 471.583 1.325 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(C)CN(C)C2=O)CC1 1760259630 OEAJPSHTGQLBTE-RUZDIDTESA-N 485.633 1.626 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(F)c(COC)c2)CC1 1760269075 XIBKCOLYVBVFHT-UHFFFAOYSA-N 465.533 1.978 30 10 JDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCCOC)CC1 1760305999 YUJCYDHRTNPLNR-UHFFFAOYSA-N 452.357 1.566 30 10 JDEE C=C(Br)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760311186 VDSGZRWJGRLBIJ-INIZCTEOSA-N 489.374 1.530 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1760440393 ITGOVPCAWXVOFD-IBGZPJMESA-N 461.636 1.944 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760523002 JFHJOKMYCQWBHK-UHFFFAOYSA-N 498.613 1.293 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](S(C)(=O)=O)C2)cc1 1760529851 HNBCXOFJBCFSEW-APWZRJJASA-N 497.643 1.515 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1760566249 PHESIXAZGOAHQD-CVEARBPZSA-N 457.622 1.814 30 10 JDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1766730377 GLLZPMGLPVOBFV-OXJNMPFZSA-N 474.587 1.672 30 10 JDEE CN(C)CCN1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 1768514070 IFJPRWRGHGGRMB-OAQYLSRUSA-N 450.591 1.402 30 10 JDEE CN(C)S(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@](C)(C#N)C1 1768527126 BDPUSWUNFAHLIK-NRFANRHFSA-N 456.576 1.538 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1772660387 JMYWEDFDKNIGKT-MRXNPFEDSA-N 463.560 1.265 30 10 JDEE C=CCN(CC=C)C(=O)[C@@H]1CSCN1C(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1862131028 BMKUAYVLTPKPNV-INIZCTEOSA-N 463.556 1.544 30 10 JDEE CN(C)c1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)cc1 1870151091 LYIZRMHUVPQKHM-HNNXBMFYSA-N 459.466 1.895 30 10 JDEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 1870151473 XKMHHIUCTSRTHR-SFHVURJKSA-N 494.600 1.796 30 10 JDEE N#Cc1ccc(COc2cn(CCCN3CCCC3=O)c(CN3CCN(CCO)CC3)cc2=O)cc1 1870347891 XXVDTVFIJNMDIG-UHFFFAOYSA-N 493.608 1.421 30 10 JDEE CCCCCCCCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CN(CCO)CCO 1870542393 SHOBQSZZVIWVOK-QFIPXVFZSA-N 481.634 1.669 30 10 JDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccccc2OC)cn1CCOCCO 1870641773 QXFMAVDRHLRXBS-UHFFFAOYSA-N 485.581 1.735 30 10 JDEE C[C@@]1(CCO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C=C2C(=O)C[C@@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2CC1 2069493591 BJXYXWVEQJEADP-LVILHDCFSA-N 496.597 1.406 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255536727 MJTMUAUBNPULTA-TZMCWYRMSA-N 453.370 1.712 30 10 JDEE CC(C)(C)OC(=O)N[C@](C)(CO)CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267713724 DKXRZZJEDIRVNS-NRFANRHFSA-N 470.397 1.540 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2267723534 VOEDDHMUCAEYGX-HXUWFJFHSA-N 488.437 1.698 30 10 JDEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2281954400 BARVCYFCDXVOLP-LSDHHAIUSA-N 463.388 1.880 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(F)C[C@@H](CNC(=O)OC(C)(C)C)C1 2282186090 POTQXWTWGOFGSH-IPVJXJPOSA-N 467.351 1.487 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2CC[C@H]1[C@@H](NC(=O)C(F)(F)F)C2 2282192217 UQGLCBYMXPVWDF-QEJZJMRPSA-N 455.286 1.996 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2282337836 JPHOKVGQXJCXDR-SPLOXXLWSA-N 482.412 1.255 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC23CC3)n1 2282504101 JUHMITXMQJWULQ-UHFFFAOYSA-N 482.412 1.493 30 10 JDEE C=C(CS(=O)(=O)N1CCO[C@]2(CCCN(C(=O)C(F)(F)F)C2)C1)B1OC(C)(C)C(C)(C)O1 2282505922 LARHVVYEKXADKB-SFHVURJKSA-N 482.330 1.760 30 10 JDEE Cc1c(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282599079 NTIRHPTYNHMLDJ-AAEUAGOBSA-N 458.290 1.699 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2282684662 UMGBDJCPCKWBBO-CABCVRRESA-N 461.372 1.728 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1(C(=O)O)CN(C(=O)OC(C)(C)C)C1 2282695612 QDFJJNTWLYAODC-UHFFFAOYSA-N 463.340 1.611 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 2282701876 YQQAYBNSFBASAQ-RCDICMHDSA-N 461.372 1.776 30 10 JDEE CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283054955 AYPSAVWRSHHGPH-GJZGRUSLSA-N 462.356 1.530 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2284147736 NUPQDKXXEOCFAS-QGZVFWFLSA-N 461.368 1.761 30 10 JDEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2315419007 RXTJFUFDPOKXGC-UHFFFAOYSA-N 453.370 1.808 30 10 JDEE CO[C@@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2315647222 XPFGWHBNSIHLNI-UONOGXRCSA-N 453.370 1.806 30 10 JDEE CC1(C)OB(c2cc(Cl)cnc2N2C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)OC1(C)C 2364900877 VWZKZIGSEMXGDX-ZYHUDNBSSA-N 476.692 1.393 30 10 JDEE COc1nc(OCCS(=O)(=O)CCNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2365373493 HQJJDFGEIKSVMD-UHFFFAOYSA-N 486.396 1.708 30 10 JDEE C=CCN1C(=O)COc2ccc(C(=O)CS(=O)(=O)CC(=O)Nc3ccc(OC)c(OC)c3)cc21 19951568 YOXPUSGDANSFLK-UHFFFAOYSA-N 488.518 1.851 30 10 JDEE CCOc1ccc(/C=N/Nc2nc(Sc3nc4c(c(=O)n(C)c(=O)n4C)n3C)n[nH]2)cc1 21077045 JTGRTJXRCHVAQU-KEBDBYFISA-N 455.504 1.085 30 10 JDEE CCOc1ccc(-n2c(=O)/c(=C\c3ccccn3)s/c2=C(\C#N)C(=O)N2CCOCC2)cc1 105753405 ZHXDKLKBSPYGKF-GGQBFWCMSA-N 462.531 1.055 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cc1 749374925 JLGYXGOKKVBQHD-LJQANCHMSA-N 454.533 1.624 30 10 JDEE CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)cc1 917019605 CPIVMTVEOLZIGK-ZAWLATJESA-N 457.556 1.762 30 10 JDEE C#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCN(CC)CC3)ccc2Cl)C1 1154959310 QSHUDARTISPILA-QGZVFWFLSA-N 453.008 1.494 30 10 JDEE C=CCCC[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 1155475495 QAQFWBUESNPMOF-QZWWFDLISA-N 458.577 1.671 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC2(C(N)=O)CCCC2)c1 1286308550 JWGHZZYTVZYVRZ-UHFFFAOYSA-N 465.558 1.518 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1286349567 JZKLBNCULBIZTM-NRFANRHFSA-N 498.653 1.917 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccccc1Cl 1286376582 LYULTZOADZUABC-YLJYHZDGSA-N 467.979 1.242 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCOC[C@@H]1C 1286400410 FQAXWMOAWGTLJH-SFHVURJKSA-N 469.615 1.340 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(O)CCOC2)CC1 1286492572 MRFJGIWPCLFYOQ-HSZRJFAPSA-N 457.506 1.113 30 10 JDEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286532737 LRXWSBQTHNFOJZ-UHFFFAOYSA-N 484.358 1.653 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N(C)CC(=O)N1CCOCC1 1286549224 WONGGLNRHAPVMY-XLIONFOSSA-N 462.595 1.473 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cc(Br)cn1 1286727750 YVEURKCQICVUDE-HNNXBMFYSA-N 488.412 1.283 30 10 JDEE C=CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)N(C)C)C1CC1 1286738235 WGDABYZVXWKSLV-UHFFFAOYSA-N 471.587 1.721 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1286820947 WIJBPMZRWUTUCB-MISYRCLQSA-N 494.639 1.747 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(Cc2cscn2)CC1 1286823909 ZYRLPXLCOABICD-UHFFFAOYSA-N 473.628 1.643 30 10 JDEE CC(C)N(C)CCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1287908097 HBJRGYXFKMSUAP-LJQANCHMSA-N 480.621 1.508 30 10 JDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1291321208 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C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1301187949 FOBZXEQNXXHVCV-ZCNNSNEGSA-N 482.651 1.124 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@]2(CCCOC2)C1 1301567891 MOMHZEJDMFURDC-OAQYLSRUSA-N 453.609 1.804 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1301577226 GEFCTBNJBXHMQO-GOSISDBHSA-N 472.571 1.313 30 10 JDEE CC(C)N(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)C(C)C 1305119715 BJGIBUKQRHKXSG-OALUTQOASA-N 480.621 1.725 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)C(C)C)c1 1358901200 CLXQUACUHGUDAE-OPAMFIHVSA-N 476.603 1.352 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(S(C)(=O)=O)CCCC1 1358941576 PPVAXJPQLWZAKA-UHFFFAOYSA-N 479.628 1.622 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1358967649 PENWAGIIKHQHKF-MRXNPFEDSA-N 484.575 1.058 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CCC1 1358994503 OTRDMIFJLHFNQF-KRWDZBQOSA-N 451.618 1.360 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@@H]2COCCO2)CC1 1359028671 ZYYLEQPBYFUZRK-OAQYLSRUSA-N 452.559 1.708 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1359030260 RMNLYIUIBHWKAM-HXUWFJFHSA-N 496.612 1.854 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2c(C)noc2C)CC1 1359040895 IVZQMTMXQXPTLP-ZBFHGGJFSA-N 491.618 1.263 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCOC2CCOCC2)CC1 1359043271 OEFLUVWLEONWST-UHFFFAOYSA-N 454.575 1.835 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOc2ccccc2)CC1 1359045996 ZYJOOEZRMVOVRU-HXUWFJFHSA-N 485.610 1.615 30 10 JDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359055612 KCFGYHRAACOGKU-CQSZACIVSA-N 451.574 1.386 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1359055900 RXDGOEIMQWWNRK-SFHVURJKSA-N 456.547 1.697 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1359060542 YVPRKLQCSCSWPY-UHFFFAOYSA-N 470.647 1.251 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(S(=O)(=O)NC)c1 1359113339 GLCSKHYMUBVQRA-KRWDZBQOSA-N 467.617 1.539 30 10 JDEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCCS1(=O)=O 1359113504 KFMZLYWTDOGYJC-UHFFFAOYSA-N 474.635 1.890 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)nnc1C(C)(C)C 1359305478 DQIPDWPGXMVFTI-OALUTQOASA-N 459.639 1.504 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C(N)=O)CC1 1359328167 WBPPYNBGNMPBND-HNNXBMFYSA-N 465.551 1.860 30 10 JDEE C#CCN1CCN(C(=O)c2ccc(NC(=O)C[C@H]3SC(N4CCCC4)=NC3=O)cc2)CC1 1470907219 CJHOWWRUZADQPE-LJQANCHMSA-N 453.568 1.500 30 10 JDEE Cc1ccc(O[C@@H](C)C(=O)N2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)c(C)c1 1473175172 HDOFCRFWANUTAT-IBGZPJMESA-N 456.568 1.956 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)cc1 1475974468 VYLPUZJXOOOPKN-UHFFFAOYSA-N 456.521 1.601 30 10 JDEE CCN(CC)Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1501912489 DFZOOIFBEVUQSI-RTWAWAEBSA-N 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CC(=O)N[C@](C)(C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1)c1ccc(S(C)(=O)=O)cc1 1536669161 YXRVWDYGZVAXTE-GMAHTHKFSA-N 455.536 1.913 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1 1538491944 AQDMXBKCLCWSKS-LJQANCHMSA-N 452.536 1.881 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1539071668 CRMXQNFYGRRWCN-SFHVURJKSA-N 468.645 1.921 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2ccc(F)cc12 1539179052 MYCJZVKZKWYQBX-IBGZPJMESA-N 460.535 1.544 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1539219297 BRZFUPIYHJSLCE-DOTOQJQBSA-N 477.974 1.566 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCc2ccccc21 1539265021 CDZRHXUYRPWAOL-KNQAVFIVSA-N 482.610 1.135 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2Cc2cccc(O)c2)n1 1539423006 OYBKFXOKWULMSS-UHFFFAOYSA-N 463.542 1.751 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@H]2CCCS(=O)(=O)C2)n1 1539423711 DGUGTRKUPHDZOB-MOPGFXCFSA-N 476.603 1.090 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2CC2)CC1 1539469847 GXQIXECGBVRFQG-UHFFFAOYSA-N 470.599 1.571 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)N2CCOCC2)CC1 1539475603 JKRBPLWPJORQPQ-UHFFFAOYSA-N 451.575 1.417 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1539481734 NJBTWLNEPHYDFX-OAQYLSRUSA-N 485.610 1.341 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1539483493 ZJQQMAZRKXSSAI-UHFFFAOYSA-N 486.642 1.741 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OCC)CCOC1 1539642604 RDYKSWLBZTWOGS-WKRCXCSHSA-N 454.593 1.535 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@@H]1CCCOC1 1540864008 MMKYPKGHZCQMQK-KRWDZBQOSA-N 475.619 1.712 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CCOC)[C@@H](CC)C1 1540867329 RRTLFEMNZADZTF-SFHVURJKSA-N 456.547 1.523 30 10 JDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CCOC)[C@H](C)C1 1540868470 GTKCAECKOXBSAA-GOSISDBHSA-N 451.575 1.896 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](C(=O)OC)C1 1540898641 QBBYBSWPKXFBKG-KRWDZBQOSA-N 470.555 1.935 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)OC[C@H]2C1 1540898906 YIPMXHYZVPGCND-HZPDHXFCSA-N 479.534 1.799 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncc(F)cn2)CC1 1540902276 FNGNPRQZQFFHIW-KRWDZBQOSA-N 465.555 1.376 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1540908570 YSRADTXQNAUYDA-OAQYLSRUSA-N 470.599 1.924 30 10 JDEE CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ncncc1C#N 1559062572 CPWNSMKTIXHYHC-UHFFFAOYSA-N 450.908 1.097 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1588029259 FHZAAYIUMQKOJB-QUCCMNQESA-N 472.615 1.724 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588064653 MMXBBJFLRAIWNH-FQEVSTJZSA-N 472.615 1.001 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1588069620 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C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1595556032 MKVRYZVKOZRKBD-GOSISDBHSA-N 460.604 1.245 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(NC(C)=O)cc2)C1 1595722063 IQUPYFSIWHEYNX-AZUAARDMSA-N 459.572 1.968 30 10 JDEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1595860621 RXGPXLKQFAEYPI-UHFFFAOYSA-N 467.599 1.909 30 10 JDEE CC(C)OC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1610960612 FONDWAWVXZZQJX-JOCHJYFZSA-N 459.572 1.760 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)c1 1631234679 YOKXKUGFXFKIQH-KRWDZBQOSA-N 452.941 1.852 30 10 JDEE C[C@@H](c1cccc(C#N)c1)N(C)CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 1653972314 BHKIAPIQDSVGKW-SFHVURJKSA-N 456.568 1.888 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCCO2)c1 1669196403 OYGZGQFNVINRLR-QGZVFWFLSA-N 453.561 1.907 30 10 JDEE C#CC[C@@H](CCOC)NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 1672849602 UGSYKBIKNXIHBL-SJORKVTESA-N 451.545 1.810 30 10 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JDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690228312 SWEBRPPEDJKSFY-AWEZNQCLSA-N 462.414 1.941 30 10 JDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1690315508 CPOPVELPJSSTGF-SFHVURJKSA-N 451.535 1.389 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)OC[C@H]2C1 1690670553 DRTZTSOLWNEJAA-QGZVFWFLSA-N 489.577 1.336 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1690671241 ROEZPFMMMDQGAY-UYAOXDASSA-N 489.598 1.287 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2-n2ccnc2)C1 1690686960 WMELUMKQFOKBPB-PKOBYXMFSA-N 471.587 1.904 30 10 JDEE CC(=O)N1CCN(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@@](F)(C#N)C2)CC1 1690870090 BTSVDDCZRMPWLV-DNVFCKCGSA-N 461.586 1.803 30 10 JDEE CCn1cc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)cn1 1695781718 GZVALDVAAMMHOQ-UHFFFAOYSA-N 469.571 1.609 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1705480902 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C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1705901813 XIRMSJPFZQDVMI-ZDUSSCGKSA-N 470.452 1.856 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1705932090 KQZZUIGXIPFGGY-UYAOXDASSA-N 462.620 1.431 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1705933412 GJYXDAODFDUQTF-VGSWGCGISA-N 462.572 1.939 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1705937928 IVVWEZNVGWTLLL-QHCPKHFHSA-N 473.599 1.934 30 10 JDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1712318317 GZBGOFHNLCKNDH-URXFXBBRSA-N 454.575 1.905 30 10 JDEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1712698853 AHXMHJRGUZYUDL-UHFFFAOYSA-N 484.504 1.756 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1722358267 FOEPDZOFQQENPZ-SFHVURJKSA-N 499.622 1.982 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCc2ccccc2C1 1722414149 WJWIYNDSFIHOAK-UGKGYDQZSA-N 486.642 1.517 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2-n2nc(C)cc2C)CC1 1722431771 NVDBJSBZFDJFLT-FQEVSTJZSA-N 496.641 1.494 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(C)COCCO2)CC1 1722443919 QABQBADCONIDMN-NRFANRHFSA-N 491.390 1.807 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1722445034 JJPOGTDIBXCPRK-NRFANRHFSA-N 488.640 1.809 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1722450487 KHVZNWFTGDLTRC-GOSISDBHSA-N 463.604 1.453 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1722587864 CMXHVROTQZCIOT-IKGGRYGDSA-N 491.680 1.471 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1722588463 SYRCARJMTBTIQV-MOPGFXCFSA-N 497.662 1.988 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722699137 CIDBROBIBIFAGJ-UHFFFAOYSA-N 465.602 1.224 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1722703090 VQVFOEAFPGSILS-MRXNPFEDSA-N 473.603 1.265 30 10 JDEE CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCCCO2)CC1 1731012257 DEEHGCOEBZISCA-IBGZPJMESA-N 474.587 1.770 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(CC)n1 1740549350 FLTLWFVIZTZZLC-GOEBONIOSA-N 452.606 1.331 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740615661 IQKDTCQHQUSYOZ-MSOLQXFVSA-N 459.572 1.511 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1740625438 NRFZRJIKCWRZFZ-IBGZPJMESA-N 462.547 1.176 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1740684368 ORDTUKYZJLSHBB-QFIPXVFZSA-N 466.586 1.572 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1740782404 BHKCNSOWPKAKDH-ACRUOGEOSA-N 495.694 1.182 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1740867993 BFVAOQAVAWBYJO-ZDUSSCGKSA-N 468.609 1.561 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1740950725 FJNVLKFPVSJFTL-QGZVFWFLSA-N 475.594 1.557 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1740963068 YBBSIEIRMAMVBX-LJQANCHMSA-N 470.603 1.655 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)[C@@H]1CC 1740968237 FVWKXXOFTXOKGW-WBVHZDCISA-N 462.576 1.216 30 10 JDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1748170734 CDGMBICHVCUXGT-AZUAARDMSA-N 465.558 1.274 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1748801541 CLJWRAJSIOBGOA-CVEARBPZSA-N 485.595 1.812 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CCc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1748801937 KHTDVLUKHAPTQK-GOSISDBHSA-N 478.640 1.849 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1748808720 GOYZNNTZINMPBV-CQSZACIVSA-N 456.977 1.270 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1748824279 MUBNFKIUPXNPHU-IRLDBZIGSA-N 488.610 1.906 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)N1CCN(CC)CC1 1748828330 CCMLOXWVQUGGCO-FQEVSTJZSA-N 496.685 1.645 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2[nH]c(C)cc2c1 1748892802 WZNREJMNYSYRAI-QFIPXVFZSA-N 480.594 1.912 30 10 JDEE C#CCN(CCOC)c1nnc(COCC)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1748969434 VGWVVBNZJWMCFZ-QYZOEREBSA-N 463.579 1.925 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)c(OC)c2)CC1 1748972521 LAMRBVKPCVHYGJ-HNNXBMFYSA-N 466.995 1.354 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CC(=O)N2CCOCC2)CC1 1748984348 KFQIIGUSUXAPIL-UHFFFAOYSA-N 473.375 1.322 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(F)c(F)c2F)CC1 1749010734 WFAKMQFULZFECI-KRWDZBQOSA-N 474.487 1.855 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1749016082 ZFSJVWGSOHTBJC-DFBJGRDBSA-N 451.571 1.569 30 10 JDEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C(=O)NC)C1 1749214128 UZFJTXXSBGGDDZ-HNNXBMFYSA-N 453.341 1.580 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CC2)C(=O)C1 1749216889 VOKCOCJNWKWSIJ-UHFFFAOYSA-N 488.614 1.599 30 10 JDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1749467656 WPIXMEXCXVEQCI-INIZCTEOSA-N 481.648 1.450 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1749671497 CLVYRWDKRXEMIX-KRWDZBQOSA-N 460.529 1.608 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCSC1 1749805781 AAPFUFOKBIZZAV-KNQAVFIVSA-N 491.639 1.573 30 10 JDEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1750577323 FEGIGJXPPATDGO-XMMPIXPASA-N 467.574 1.798 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)Oc1ccc(Cl)cc1 1751132618 HXYATHNWXOPJJR-JKIFEVAISA-N 468.967 1.738 30 10 JDEE C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1752419527 CQAZQRFSISDTDE-HXOBKFHXSA-N 453.547 1.151 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)Cc1ccccc1 1760176136 ZMIZVAXJJJNFKT-GOSISDBHSA-N 450.586 1.255 30 10 JDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1760181845 CEWGINYRPFTHNA-LJQANCHMSA-N 494.017 1.913 30 10 JDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(CS(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1760188047 GYVIAMNXIYDESK-IBGZPJMESA-N 462.597 1.375 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1760189666 VNBXVUUTHVLWRQ-KNKQGSTJSA-N 452.621 1.986 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)Nc1cccc(Cl)c1C 1760194382 HSCFVJMDFAPMEM-INIZCTEOSA-N 476.990 1.952 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1760254481 YCCRVRNKJPXYFX-RBUKOAKNSA-N 465.668 1.154 30 10 JDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1760282178 XEZVICAJBPTZSA-IBGZPJMESA-N 460.648 1.719 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)CC1 1760382773 XXMVCTFNUYGLOK-SQNIBIBYSA-N 480.614 1.391 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1760519590 JBBQOEVVFUIIAZ-XMMPIXPASA-N 470.574 1.566 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1760524257 TYLOVOBERATCGR-IEBWSBKVSA-N 480.635 1.305 30 10 JDEE CCCNC(=O)CCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1766237966 DDHLLXLVRKOQBE-XMMPIXPASA-N 482.589 1.440 30 10 JDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCS(C)(=O)=O 1766400370 ARWDFSWMTSMDMC-UHFFFAOYSA-N 450.540 1.587 30 10 JDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2(=O)=O)C1 1770315788 CARDJLKJQQRYOP-QZTJIDSGSA-N 463.585 1.407 30 10 JDEE NC(=O)C1CCN(C(=O)[C@@H](CSCc2ccccc2)N=C2NS(=O)(=O)c3ccccc32)CC1 1869927903 HKLJKRJOAZZDRR-LJQANCHMSA-N 486.619 1.751 30 10 JDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2nc(C)c(C(=O)OCC)s2)cn1CCO 1870587220 IIEIDHFCOWYGAY-UHFFFAOYSA-N 490.582 1.974 30 10 JDEE C=CCN1C[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)CC2)CC1=O 1872995964 WZSSWXMJBKVDCT-IAGOWNOFSA-N 458.946 1.398 30 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WBFLAGWHJYWSEQ-GJZGRUSLSA-N 468.385 1.102 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC(C)(C)CCNC(=O)OC(C)(C)C 2267717412 CTIABBSUKZELHQ-UHFFFAOYSA-N 472.417 1.691 30 10 JDEE COc1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2281827377 VFOGTULZFXXINX-IAGOWNOFSA-N 462.352 1.704 30 10 JDEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282051305 SLPQBQVNFPIMCI-HNNXBMFYSA-N 465.331 1.886 30 10 JDEE CC(C)(C)OC(=O)NCC1(CNS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)COC1 2282346364 NLWHXDTVZSKRLW-UHFFFAOYSA-N 482.408 1.805 30 10 JDEE COC1(CCNC(=O)OC(C)(C)C)CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282545458 WTSYSHDDBXOCHV-UHFFFAOYSA-N 464.372 1.475 30 10 JDEE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282845455 TXITUPRQPWHBCF-UHFFFAOYSA-N 479.408 1.573 30 10 JDEE CC(C)(C)OC(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2283979696 QQUSZJWQBDOFDI-ZDUSSCGKSA-N 476.368 1.283 30 10 JDEE Cc1c(C=C2SC(=S)N(CC(=O)O)C2=O)c(N2C[C@@H](C)O[C@H](C)C2)n(C)c(=O)c1C#N 2314462003 OSGWQODXEYFSQI-GHMZBOCLSA-N 462.553 1.465 30 10 JDEE Cc1ccc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@H](O)COc2cccc(C)c2)cc1 2327754189 XHGLQBWKILNTQF-IBGZPJMESA-N 476.537 1.936 30 10 JDEE COc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NCc2ccco2)cc1OC 2330749843 PLFBEMXBWDFTTG-UHFFFAOYSA-N 472.527 1.815 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)CC1 506269575 IJWSQYGHRWQRHP-UHFFFAOYSA-N 462.597 1.538 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)CC1 512713374 AFWZCZNIQCAULX-UHFFFAOYSA-N 488.635 1.555 30 10 JDEE CC(=NNc1nc(SCC(=O)Nc2nnc(SCC(N)=O)s2)n[nH]1)c1ccncc1 1084434251 ORQGYQNGYLKYEV-UHFFFAOYSA-N 464.562 1.196 30 10 JDEE CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1136367037 GHLWOBADNPKBKC-MJGOQNOKSA-N 456.591 1.828 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCCC)cc1 1286296602 PWRIBLBXKDYPPF-PXNSSMCTSA-N 461.588 1.906 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1286381747 GOADDQYUBPTDPQ-UWVAXJGDSA-N 456.634 1.697 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1286387152 AYZQTQKUPCXIOC-IBGZPJMESA-N 491.017 1.879 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1286390953 AWTRDYMGGNUAKL-GOSISDBHSA-N 468.576 1.069 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[C@@H](O)C1 1286402964 ZSFWCJXKJGRXGM-UYAOXDASSA-N 455.584 1.819 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)OCCc2sccc21 1286421336 XCBXDIPLPRCYRB-HRAATJIYSA-N 461.613 1.901 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)NCc2ccco2)CC1 1286470363 YCEQLJUJQFXYDE-UHFFFAOYSA-N 475.553 1.812 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOc2cccc(OC)c2)CC1 1286480349 LUTIVKNPVGQAQW-LJQANCHMSA-N 473.599 1.413 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cc(C)nn2C)CC1 1286486060 GRJMNIZUGNBNQZ-UHFFFAOYSA-N 454.579 1.253 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@]2(O)CCSC2)CC1 1286491304 MLURPFAONHKROD-HSZRJFAPSA-N 457.575 1.842 30 10 JDEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1286605771 VXCDNEANKABNKH-UHFFFAOYSA-N 486.548 1.184 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(S(C)(=O)=O)CC1 1286792474 YXZVMCOGNKQQCC-UHFFFAOYSA-N 451.524 1.312 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286792882 KSQBVQZCCOMQQW-UHFFFAOYSA-N 497.600 1.896 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccccc2C)C1 1286824207 XDYKVMUYYTWYLH-HXUWFJFHSA-N 473.599 1.888 30 10 JDEE C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N)N(C)C(=O)OC(C)(C)C 1288651031 CYTKWAWUBLSHNC-BRWVUGGUSA-N 499.638 1.605 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN(C)C(=O)OC(C)(C)C 1288825449 FGAZHJWLKAXNBG-IFXJQAMLSA-N 473.575 1.587 30 10 JDEE CC[C@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1291598355 BCFMJDIZIWTZKS-AOMKIAJQSA-N 476.578 1.679 30 10 JDEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)NC(C)C)cc1OC 1296763085 DGLIABCNMSBTLQ-KRWDZBQOSA-N 478.575 1.409 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCN2CCOC[C@@H]2C)c1 1300332703 LIUHERONDBOCKJ-FXAWDEMLSA-N 465.558 1.006 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300488802 WJJFEBCRDVFPCY-WMZOPIPTSA-N 491.618 1.466 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1300505119 XWYNDBVUECXJPP-YADARESESA-N 485.610 1.525 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC2CC2)nc1 1300578338 LFYXJZPMACGIAK-HXUWFJFHSA-N 453.568 1.875 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1301241829 XCUSKOLEQAVMTH-KRWDZBQOSA-N 476.603 1.455 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1301257681 CRHVCLSCSXKALT-FQEVSTJZSA-N 491.662 1.445 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(F)(F)F)CC1 1301257964 HVNQPNYNELOJQM-MRXNPFEDSA-N 479.525 1.903 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1301475777 YFDGVYIWMBSIAH-KRWDZBQOSA-N 457.604 1.761 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccccc1C 1301499976 HXJSZOYTVWSDJD-LJQANCHMSA-N 476.603 1.248 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C[C@H]2CCCO2)CC1 1301501973 AOCPDUNFKKAWOB-QGZVFWFLSA-N 460.529 1.750 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1301509488 IEEVZBKIYLQYPJ-UHFFFAOYSA-N 489.602 1.629 30 10 JDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H](C)CN2CCN(CC)CC2)CCOC1 1314111847 GBULQMPCERDXKB-UEVCKROQSA-N 463.602 1.646 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(CS(C)(=O)=O)cc1 1358870128 GIRNRDUOOKSQPM-INIZCTEOSA-N 452.540 1.976 30 10 JDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1358915797 PPOLBVJJRJZEBB-UHFFFAOYSA-N 469.634 1.775 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 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JDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1507959518 DRZYQHKPQDNBAA-DENIHFKCSA-N 470.622 1.650 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1508090531 JDMXPJLRJYFWJB-SFHVURJKSA-N 466.652 2.000 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1508141104 LGGVQICOOQGZKL-UHFFFAOYSA-N 493.655 1.966 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C(C)C)C1 1508143516 HHYLXNJSEUYQGC-LJQANCHMSA-N 458.588 1.979 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCn1cc(Br)cn1 1510188967 FDYFOONXCQGOCW-BLLLJJGKSA-N 489.375 1.380 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(OCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1539206812 WDHSOLCBALPJGY-CVDCTZTESA-N 480.631 1.906 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1539210374 DKZVBWMUCGFEPA-FQEVSTJZSA-N 468.583 1.606 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1539212821 SZLXXMUEOZUUTF-SFHVURJKSA-N 459.572 1.449 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539216834 XONWAANVYFHRBU-SFHVURJKSA-N 474.587 1.834 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CN(C)C1=O 1539384340 FJFROIOVMSLLNX-YCRPNKLZSA-N 462.551 1.146 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2CCOCC2)CC1 1539467263 QHUTVKFYXIRNKN-UHFFFAOYSA-N 451.531 1.318 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1539470142 KUPJKHSTOFHORL-QMHKHESXSA-N 468.514 1.359 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCNC(=O)[C@H](C)CCC)CC1 1539475267 ACGUGPYUTZYKPZ-GOSISDBHSA-N 451.575 1.858 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2(OCCOC)CCOCC2)CC1 1539481742 NNOSVGZKVCMFPO-NRFANRHFSA-N 489.617 1.350 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1539484655 XVAWWMQBGPBULT-SFHVURJKSA-N 490.655 1.178 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1539730715 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CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)CC1 1617356001 CUNKGNUZUVPVHN-NRFANRHFSA-N 476.628 1.593 30 10 JDEE CN(C)C(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1617575089 DXADOSCUAYUNOX-UHFFFAOYSA-N 465.558 1.370 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)ccc1F 1617698535 LJEUJODEXRNWGX-RISCZKNCSA-N 451.442 1.819 30 10 JDEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(CCOC)c2)C1 1618654208 IDTTYRAPKMPAEG-HXUWFJFHSA-N 478.557 1.582 30 10 JDEE CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1631748730 CZFXSSRZDJDEEF-KRWDZBQOSA-N 459.524 1.500 30 10 JDEE C#CCOc1ccccc1CNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1678937586 NLJOOAHVNXSOER-UHFFFAOYSA-N 458.496 1.823 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](F)COC)c1 1689871762 DSVUVORGDVZCCO-IRXDYDNUSA-N 463.535 1.221 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1689985984 GOBLCRUGZBOAOK-GHTZIAJQSA-N 457.581 1.936 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1689988769 VZNRIRKKRPJHGQ-IBGZPJMESA-N 453.572 1.642 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1689991722 BLERFTUPBDYCQQ-FQEVSTJZSA-N 487.601 1.941 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCCOC2)CC1 1690124145 GIOAGKMOTGTEFU-UXHICEINSA-N 474.606 1.768 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1690146451 NZRSWSHNMSLHCS-RTBURBONSA-N 498.550 1.401 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(C(C)C)C1 1690206548 USAMVAIZXPUPJU-SXWKCWPCSA-N 478.663 1.724 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1690464464 BYYNTGLLAJKPHV-QRVBRYPASA-N 469.608 1.352 30 10 JDEE C[C@](O)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1Cl 1692811280 FFUMBEBADIDIMN-SXGZJXTBSA-N 465.963 1.470 30 10 JDEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 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C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](COC)C1 1705900966 VZAMEOPOOMQPEE-ROUUACIJSA-N 495.584 1.778 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1705906181 WEKSJLWIBPHMPL-GOSISDBHSA-N 467.603 1.831 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1705933502 JHYPTYIFSCLBKN-INIZCTEOSA-N 466.995 1.899 30 10 JDEE Cc1ccc(S(=O)(=O)NCCn2c(C(=O)NC(C)C)nnc2N(C)[C@H](C)CC#N)s1 1707559733 GUXHBPJVXCZOTB-CYBMUJFWSA-N 453.594 1.503 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1710305149 DRNIIUILRALIFW-KRWDZBQOSA-N 494.604 1.053 30 10 JDEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)C1 1711431018 HUPWDYURWPHZES-NRFANRHFSA-N 465.558 1.370 30 10 JDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CCO1 1712302915 BLMDDZQCOXVQJX-SFHVURJKSA-N 461.544 1.158 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCN2CCOC2=O)c1 1722309439 NKROZKZSZCQSAA-UHFFFAOYSA-N 462.514 1.577 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722365724 PDRBLTUYYYMMTN-RDPSFJRHSA-N 493.674 1.821 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1CCN(CCN(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1722368928 XFTBANSZBLZRFY-FGZHOGPDSA-N 492.690 1.072 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722370619 PIRHRPNMHNKNFC-WPVAHCMFSA-N 466.604 1.444 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1722371110 UAORMPJFQSUJTH-SFHVURJKSA-N 469.571 1.452 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(C)CC2)nc1 1722374150 UUBYTMLWASVZET-LJQANCHMSA-N 469.615 1.641 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1722382987 FCFCYUQONMZDRI-LEWJYISDSA-N 488.589 1.126 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CSC)cc1 1722396033 FMXHXOHEVWJGIZ-NRFANRHFSA-N 487.651 1.985 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCN(CC)CC1 1722414187 XGLUGPCLEVSBSL-IBGZPJMESA-N 452.625 1.193 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(CC)s1 1722517842 OJIFEVANJXMKKB-AWEZNQCLSA-N 455.610 1.476 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1722689797 ZZWSZMKIZDKWDE-VBKZILBWSA-N 479.379 1.733 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(CN2CCOCC2)c1 1723933920 HNTWSIGDUNBULN-VGOFRKELSA-N 491.593 1.211 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@@H](C)N(C)C 1723951846 FSGWHOCSTVFTLG-HZPDHXFCSA-N 495.053 1.690 30 10 JDEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1727921021 GMMBRKOBQONQIA-WZONZLPQSA-N 453.547 1.836 30 10 JDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCN(C(C)C)CC1 1728518554 HIMQWZOLGADRQM-UHFFFAOYSA-N 474.631 1.923 30 10 JDEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1729828959 HCOAFAOTSPUDJA-XLIONFOSSA-N 474.587 1.482 30 10 JDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740566300 RIPJIRMJBAHCGE-LJQANCHMSA-N 484.582 1.625 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1nccs1 1740573499 DOZSBRXDPMBYEX-INIZCTEOSA-N 452.606 1.550 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCSCC2)cc1 1740662878 YMMDWLILFCPOAY-QGZVFWFLSA-N 462.645 1.949 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1740684824 CJTNETUVDBHTFO-IPMKNSEASA-N 451.593 1.072 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(OC)cc1 1740731862 JXFVRKONJPBNGN-NFBKMPQASA-N 489.598 1.691 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740764746 JKLRRPCHIAFJAN-KNJMJIDISA-N 468.620 1.997 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1740791796 CQTGJTATNCFQPU-NRFANRHFSA-N 487.649 1.735 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCOC1 1740795481 WBUJXZRAWSYHJO-ZWKOTPCHSA-N 457.597 1.067 30 10 JDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1740897407 GIBFCHXRVZTVKS-KRWDZBQOSA-N 465.558 1.792 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740953616 MDPKYXQBOMDDIX-UHFFFAOYSA-N 473.965 1.074 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1740968190 DXTHSMQEXCPTPR-DOTOQJQBSA-N 483.616 1.125 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1740991673 BHAXWNQHOHGRGL-SFHVURJKSA-N 477.562 1.484 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1740993402 ZYAYSWSDRQMKKU-SFHVURJKSA-N 463.579 1.913 30 10 JDEE CC(=O)N1CCCN([C@H]2CN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(C#N)o3)C[C@H]2C)CC1 1741038300 QNUPEEJGIKWOSP-UTKZUKDTSA-N 482.589 1.308 30 10 JDEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)N1CCOCC1 1741311016 FEWZYWMAFBXKBH-RTWAWAEBSA-N 451.575 1.875 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCn1cccn1 1741676406 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C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1760125790 LVXONRLENBBGSJ-GOSISDBHSA-N 494.581 1.073 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(OC)nc1OC 1760173889 ZHTOKWILTZZKSN-UHFFFAOYSA-N 470.555 1.725 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1760192992 QOEAUSWPCYVDIX-HQRMLTQVSA-N 493.655 1.890 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1cc(CO)nn1 1760242264 XMULLMDVBAYDSN-SFHVURJKSA-N 487.561 1.133 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC)c(F)c2)CC1 1760268654 NZNHWYHRIDEGDS-GOSISDBHSA-N 454.506 1.391 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccccc2OCC)CC1 1760269307 DZHZGPZLZPTYIW-OAQYLSRUSA-N 499.637 1.787 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760517585 RANGHSSYDCSNHV-GOSISDBHSA-N 458.950 1.728 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C)[C@H](OC)C1 1760523174 OIVOLUKXRXRHFE-DOTOQJQBSA-N 461.592 1.402 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760526004 ABUFZBFAQALQHI-LJQANCHMSA-N 481.557 1.249 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@@](C)(c3cnn(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1760528508 FFCDHFWQDZSOCT-PKTZIBPZSA-N 473.578 1.106 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(S(C)(=O)=O)CC2)C1 1760536961 KMSHBENCSIIYJW-UTKZUKDTSA-N 454.593 1.677 30 10 JDEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N2CCOCC2)cc1 1760719104 BFQPSVGDGYTNSH-HXUWFJFHSA-N 468.558 1.742 30 10 JDEE Cc1ccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2CC(=O)NCC(F)F)o1 1761758995 GDHIYBYWQWIXTF-CYBMUJFWSA-N 471.472 1.605 30 10 JDEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)CC1 1766647929 CIKHOBARWCRJSV-DEOSSOPVSA-N 483.642 1.675 30 10 JDEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1769067329 ACWYKUXWJCDBAB-IBGZPJMESA-N 460.560 1.379 30 10 JDEE CCC[C@@H](NC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1)C(=O)O 1858651057 CVEYYUDBYCNGGJ-GOSISDBHSA-N 458.496 1.729 30 10 JDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1 1858977865 IMCKLIUMXGMKAP-UHFFFAOYSA-N 479.580 1.378 30 10 JDEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O 1861507325 GBNYHZXRJFIRJH-APWZRJJASA-N 477.473 1.089 30 10 JDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(OCC)c(OC)c1 1865730220 YRDDOSJIQHFGKA-GOSISDBHSA-N 482.537 1.387 30 10 JDEE N#CCc1[nH][nH]c(=NC(=O)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C(=O)O)c1C#N 1865971866 YHMJHPIPHNWURZ-RTBURBONSA-N 487.428 1.244 30 10 JDEE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C(=O)Nc2cccc(C#N)c2)cc1 1866581695 HGPLLEYQXVLFAA-SIKLNZKXSA-N 483.546 1.974 30 10 JDEE CCN(CCO)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCN1C(=O)CSC1=O 1870350455 HDIAVPMANHBLAT-UHFFFAOYSA-N 470.551 1.809 30 10 JDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)C1 2255191150 BYCBZULWBJWKRY-HEOKHYPTSA-N 453.536 1.866 30 10 JDEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267143519 IYXUGVPNMBFDKY-ZFWWWQNUSA-N 450.345 1.463 30 10 JDEE C[C@H]1CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2267467017 KKUQZYIKBYOCDM-KRWDZBQOSA-N 460.409 1.614 30 10 JDEE COCCN(CCNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267504526 UDQKOAASLCHRHO-UHFFFAOYSA-N 452.361 1.333 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CO1 2268651418 BABLTTSMRVJPHU-UONOGXRCSA-N 467.397 1.988 30 10 JDEE C[C@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268653234 LCPAYWLTRRFWEN-KCQAQPDRSA-N 467.397 1.990 30 10 JDEE Cc1nn(C)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2281986506 SZJCRWWUZDOUGZ-CABCVRRESA-N 464.372 1.128 30 10 JDEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282350940 USDCRAHYXGOKNK-GJZGRUSLSA-N 484.428 1.643 30 10 JDEE CCc1nc(C(=O)NC2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 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Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2366675950 BOKWAMHGNGPFEK-KKUMJFAQSA-N 482.412 1.396 30 10 JDEE C=CCn1c(=O)/c(=C/c2cccc(Br)c2)s/c1=C(/C#N)C(=O)NCCCOCC 3362051 OQMOUARAVJQGFI-FEGWUIOZSA-N 476.396 1.904 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)cc2C1=O 9702106 RXRBOQSZLBZOSI-INIZCTEOSA-N 462.524 1.297 30 10 JDEE Cc1cc(C)nc(N/C(=N/C(=S)NCCCN2CCOCC2)N2CCN(c3ncccn3)CC2)n1 14160537 PUOXJQHAKBHRMS-UHFFFAOYSA-N 498.661 1.070 30 10 JDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccc(OC)c(OC)c2)[C@@H](C#N)C(=O)N3)CC1 72444642 LYPZXNNGOJEDKS-CRAIPNDOSA-N 481.509 1.790 30 10 JDEE Cn1c(O)nc(=O)c2c1nc(NN=Cc1ccccc1O)n2C[C@@H](O)COc1ccccc1 253531326 HTRIETJBTOLKLR-OAHLLOKOSA-N 450.455 1.427 30 10 JDEE Cn1c(CCC(=O)NCc2ccc(C#N)cc2F)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 609229634 GCJIAFNQYFVZQF-UHFFFAOYSA-N 485.541 1.854 30 10 JDEE COC(=O)c1ccccc1N(C)C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 619674884 PVYBDGPKOIXRMW-UHFFFAOYSA-N 456.524 1.314 30 10 JDEE C#CCN(C(=O)CSc1nnc(-c2ccccc2)n1[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 729335295 LLGFRZQTIYEGKD-SJLPKXTDSA-N 462.597 1.894 30 10 JDEE C#CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)[C@@H]1CCS(=O)(=O)C1 918754977 OPPUVCJEBSBGAL-GOSISDBHSA-N 450.513 1.889 30 10 JDEE COc1cccc(C=NNc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)c1O 1084222175 OIZASUDMGOFDIJ-UHFFFAOYSA-N 477.528 1.343 30 10 JDEE C=C(C)[C@H](CC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1)OCC 1141815659 SNBFIMGTFFREOD-SFHVURJKSA-N 458.602 1.603 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N1CCOCC1 1286275482 SJBBMOIACUMVLJ-BJLQDIEVSA-N 460.604 1.420 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1286390654 DJLIHOATCFPJBE-GOSISDBHSA-N 456.959 1.987 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1cccs1 1286431669 QEGTZRXZRRCLHB-UWJYYQICSA-N 477.612 1.043 30 10 JDEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1286639100 XTFKZMDXWAQJTK-QGZVFWFLSA-N 456.366 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C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1690723160 KAIDFKUENAGCCV-UHFFFAOYSA-N 450.609 1.874 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1690742346 NPCYDIHMDAWLBA-UXHICEINSA-N 477.679 1.380 30 10 JDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCC1(O)CCOCC1 1691024147 CBLDJSRMKMSHCQ-QZTJIDSGSA-N 491.614 1.918 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1CCNS(=O)(=O)Cc1ccon1 1696675963 DGRFLFUPDCNSAA-SFHVURJKSA-N 471.543 1.398 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1N1CCOCC1 1705477942 UKUVZRZOIUDFPS-JKSUJKDBSA-N 464.567 1.370 30 10 JDEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705525996 BMUNSOACRGFAEG-UHFFFAOYSA-N 482.541 1.905 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1705526167 GJQRSEKEWUOJLJ-QFIPXVFZSA-N 456.572 1.325 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705563606 AUNISNYYJREWQU-UXHICEINSA-N 457.600 1.601 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2cccc(C(=O)NC)c2)CC1 1705642135 IIPOLHSYYDZJOF-UHFFFAOYSA-N 460.586 1.497 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705659371 UBJOMRPLIAFUIO-HNNXBMFYSA-N 472.596 1.182 30 10 JDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1705843282 BGCBJWNDDDVUKP-HOTGVXAUSA-N 455.581 1.643 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1705895953 XWRASQGZOLLIPQ-AWEZNQCLSA-N 477.323 1.607 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)[C@H]1CC 1705913863 ZSURKIQIRYQJQP-QZTJIDSGSA-N 459.572 1.508 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1705930518 PLMXMIQUWZRRMS-KRWDZBQOSA-N 460.604 1.818 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(C)=O)C[C@H]1C 1705931252 KFKXVFDVBJFRSJ-QGZVFWFLSA-N 483.598 1.993 30 10 JDEE COCCN(C)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1712425278 DAWSCZIZOCXQTN-SFHVURJKSA-N 457.554 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C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1722724982 BPQHXIFHMFSQMZ-IBGZPJMESA-N 486.598 1.621 30 10 JDEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)N(C)C)C[C@H]2C)CC1 1722797862 HEZIYQAVBWFDDY-GCJKJVERSA-N 478.601 1.284 30 10 JDEE CCCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CCS(=O)(=O)N(C)C)c2ccccc2c1=O 1728161755 IEIOGIZJULZQFP-MRXNPFEDSA-N 486.602 1.552 30 10 JDEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1740578177 YYWLMCNJIYONNU-UHFFFAOYSA-N 477.573 1.613 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCCCC2)CC1 1740697577 KGRUFGOVZOSGEV-UHFFFAOYSA-N 470.643 1.980 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1740701945 SRJMFLJKOJOQFU-QGZVFWFLSA-N 474.587 1.094 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1740715890 HJZBYBMZSUCIKQ-IAGOWNOFSA-N 472.619 1.985 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(N)=O)cc1 1740732190 UVTACNRVGMILKC-PGRDOPGGSA-N 487.586 1.142 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1740787688 LRJJEIQWARBVOF-DLBZAZTESA-N 478.623 1.403 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1740795567 XWYURFHRPVQTFA-IBGZPJMESA-N 473.599 1.935 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1740956378 KYMWHBYKIOFCNR-UHFFFAOYSA-N 457.966 1.301 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccsc2)CC1 1740989922 BWNDAHOYLQUTMM-UHFFFAOYSA-N 459.601 1.720 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(N2CCCCC2=O)CC1 1740993201 ZHONNQKPAAXBFK-KRWDZBQOSA-N 451.593 1.364 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N2CCOCC2)CC1 1748671230 HKNSSOXTRDLADQ-OALUTQOASA-N 474.606 1.909 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1748825195 WJLKDYHDJLVBQY-FZEVHQGJSA-N 476.624 1.703 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn(C)c1C 1748831401 NRZHKEDEPLJMFJ-UHFFFAOYSA-N 451.556 1.358 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCNC(=O)OC(C)(C)C 1748864544 ZAORSUNEKSMOJV-INIZCTEOSA-N 452.581 1.266 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCC(=O)N(C)C 1748869127 UYVRSENQCRIVLL-UHFFFAOYSA-N 469.615 1.878 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2nccs2)CC1 1749000895 CZKCZCIVIMLQRT-UHFFFAOYSA-N 457.604 1.862 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1749015508 XRDVRIDJIFKUPG-VAMGGRTRSA-N 477.631 1.207 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1749033602 JSRJLAZFDPKUQV-JKSUJKDBSA-N 457.556 1.666 30 10 JDEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749098488 BIIBGXSLDPFDAA-ZDUSSCGKSA-N 461.320 1.009 30 10 JDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1749408965 OVZYLLYVHUUSGM-HXUWFJFHSA-N 451.575 1.829 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1749575383 QMELLADNFWNBDN-JTSKRJEESA-N 497.618 1.315 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1749676661 YMUPKEUPQVTISO-SFHVURJKSA-N 456.576 1.346 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(S(C)(=O)=O)cc2)C1 1749711930 DKOKRZWOMVZQNA-RTBURBONSA-N 494.639 1.608 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(CC(F)(F)F)[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1749739409 BGWDGCUOIHRSBE-VQIMIIECSA-N 495.568 1.604 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H]3OCCC[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1749739415 BHWKXEWRARDKJK-LQWHRVPQSA-N 454.593 1.536 30 10 JDEE C#CCCCCn1c(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1760143181 YILCSRLQQBKLJC-OFNKIYASSA-N 495.646 1.365 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1760144998 GEKQLZKKRIEVMD-HNNXBMFYSA-N 451.622 1.702 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1760184354 WCEMWCJVCPVEPB-HNNXBMFYSA-N 465.963 1.370 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1760184732 KYMRAWKQMUVHAD-ADKRDUOOSA-N 450.586 1.349 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1760185194 RVSZUYRFCNZZIF-FGTMMUONSA-N 460.556 1.120 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1760185665 AQALKAJNHCZUJD-HXUWFJFHSA-N 457.600 1.720 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCNC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1760190008 NRZAOZJNDYDQAD-IBGZPJMESA-N 497.577 1.527 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC1CC1 1760206414 YUXNSQPGXHCPFP-QFIPXVFZSA-N 483.594 1.521 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCCS1(=O)=O 1760241126 POMBAYLVIVOXFU-MOPGFXCFSA-N 459.547 1.975 30 10 JDEE C#CCN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCOCCS(C)(=O)=O)CC1 1760256574 IMCRXUPSJSGUTF-UHFFFAOYSA-N 471.627 1.565 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2csc(COC)n2)CC1 1760257476 XIWLJJZOTRFUGO-QFIPXVFZSA-N 460.604 1.725 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1760267421 LIVMMZWYEQADES-GOSISDBHSA-N 455.584 1.736 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCN2CCOCC2(C)C)CC1 1760268338 QCZMCZUFBNYSNB-UHFFFAOYSA-N 451.575 1.417 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCCS(C)(=O)=O)CC1 1760272883 CRAJVPJTFQGCTD-UHFFFAOYSA-N 477.562 1.397 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccsc1 1760336823 JVIYYGYYXMEOBE-PXNSSMCTSA-N 469.633 1.983 30 10 JDEE C=C(Cl)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1760378758 WEYNCVWKHHXHRR-UHFFFAOYSA-N 488.976 1.425 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccnn2)CC1 1760428235 RLFNPDVAXMLKNC-SFHVURJKSA-N 476.607 1.084 30 10 JDEE CC[C@@H](C)N(C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1762008519 HNYOROOBNRRRND-QUCCMNQESA-N 453.595 1.911 30 10 JDEE CCNC(=O)c1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)c1 1765626892 HHQBKSRTHMECNJ-QFBILLFUSA-N 489.602 1.005 30 10 JDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(=O)Nc1ccc(F)cc1 1766408517 DZGHWCLKGWVEGG-INIZCTEOSA-N 479.520 1.969 30 10 JDEE COc1ccc(CCc2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1768575587 FWHRMRPCWIDNQU-QHCPKHFHSA-N 473.599 1.752 30 10 JDEE COC(=O)N1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CC1 1769462171 APHUFLYYWJZFAQ-SFHVURJKSA-N 464.592 1.789 30 10 JDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C[C@H](C)O1 1770943546 HXAZLMSFAJFRNU-FXAWDEMLSA-N 454.531 1.306 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCCN2CCCCC2=O)cc1 1771534602 IEGGISNZJCFHMF-UHFFFAOYSA-N 451.531 1.458 30 10 JDEE C=CCN1C(=O)C(NCCc2ccc(S(N)(=O)=O)cc2)=C(c2cc(OC)ccc2OC)C1=O 1863717692 WPCYKYAPCSJARH-UHFFFAOYSA-N 471.535 1.449 30 10 JDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCc2cccc(C)c2)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865729031 WXHVWTFFYDQYRS-HXUWFJFHSA-N 488.544 1.968 30 10 JDEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)c1ccc(NS(C)(=O)=O)cc1 1873710697 QLABFVUOZNBORM-UHFFFAOYSA-N 450.542 1.453 30 10 JDEE CN1CCN(CC#CCOC2CCN(C(=O)C3CN(c4nc5ccccc5s4)C3)CC2)CC1 1889638359 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CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@]2(CCOC2)C1 2281926026 JLGWJKYXWMDWCQ-RCDICMHDSA-N 462.356 1.607 30 10 JDEE CC1(C)OB(c2csc(C(=O)N3C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C3)c2)OC1(C)C 2281970687 RKKGLBQPCYLCPK-CMPLNLGQSA-N 475.298 1.042 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@H](O)C1 2282033863 ZTNZLGJHQRCNOH-HZPDHXFCSA-N 465.331 1.620 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1 2282500827 ODWOJWFJXPKBJM-HOCLYGCPSA-N 482.412 1.349 30 10 JDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2282614566 JMMNOXSKIUZAND-CABCVRRESA-N 463.388 1.832 30 10 JDEE C[C@@H]1C[C@H](CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1C(=O)OC(C)(C)C 2282680732 RVJKRUOCBOWHFO-HUUCEWRRSA-N 463.388 1.880 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)C2(CCC2)C1 2282684862 WYEJQJDQKGDVQR-AWEZNQCLSA-N 461.372 1.634 30 10 JDEE C[C@H]1CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2282833322 GUOHWYDQRCTNRG-LSDHHAIUSA-N 484.428 1.501 30 10 JDEE C[C@@H](NC(=O)OC(C)(C)C)c1nc(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2283060770 JULFOTIHEKPTKG-LLVKDONJSA-N 459.316 1.732 30 10 JDEE CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1 2283069331 RBTGSHKHJFLATC-UHFFFAOYSA-N 461.372 1.058 30 10 JDEE C[C@H](NC(=O)[C@@H]1CNC(=O)CN1C(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2283957927 TYVOFAHVXKUZCD-ZFWWWQNUSA-N 479.408 1.960 30 10 JDEE Cc1nc(S(=O)(=O)N[C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1C 2359281820 GOXMMJPRNHSTDN-KFWWJZLASA-N 482.412 1.314 30 10 JDEE Cn1c(=O)c2c(nc(Sc3nnc(N/N=C/c4cc(Cl)cc(Cl)c4O)[nH]3)n2C)n(C)c1=O 21079677 MJGNACOIYOLCTE-CGOBSMCZSA-N 496.340 1.698 30 10 JDEE COc1cccc(CNC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)c1OC 59887684 JZJNAQQPHGIFQQ-FOKLQQMPSA-N 488.574 1.482 30 10 JDEE C=CCN1C(=O)[C@@H](C(c2ccc(C)cc2)[C@H]2C(=O)NC(=S)N(CC=C)C2=O)C(=O)NC1=S 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CCOc1ccnc(N2CCCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2)n1 1233850787 DIEHQFBKOURKTE-IRXDYDNUSA-N 459.551 1.856 30 10 JDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCNc1ccc(C(F)(F)F)cn1 1286360594 HKDRMNIOZDDXGX-ZDUSSCGKSA-N 459.498 1.874 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1286381982 PXOFJXDPDITUDO-PZJWPPBQSA-N 492.690 1.944 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1286393972 MZECOQPMNDKRKO-GOSISDBHSA-N 456.959 1.987 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1286396928 YXSOAZPZBFXZOS-SESVDKBCSA-N 476.574 1.686 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1286398928 TZTJYAZVDWZHBZ-ZHALLVOQSA-N 475.619 1.483 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N1CCCC1 1286420556 QXEFWWBJKIKHEB-OALUTQOASA-N 458.588 1.781 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CCN1CCN(C(C)=O)CC1 1286427415 GUTMZZSYFNMDRF-UHFFFAOYSA-N 454.525 1.774 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccnc1OC 1286467996 XZKSLCNIQFCCED-UHFFFAOYSA-N 462.558 1.990 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2(OC)CCCCC2)CC1 1286494823 SORPDEHBKQEOLW-UHFFFAOYSA-N 456.591 1.716 30 10 JDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC(S(C)(=O)=O)CC1 1286535100 FRFBCIOIXACNAI-ZDUSSCGKSA-N 451.387 1.924 30 10 JDEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1286663419 BRPWXLPIEURDGZ-OAQYLSRUSA-N 450.536 1.948 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1286782874 BXXVHWXTCLIRQK-HNNXBMFYSA-N 491.390 1.981 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCNC(=O)[C@H]1CC 1286817465 STDZXBBFIOJNCC-MRXNPFEDSA-N 461.544 1.032 30 10 JDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1288193063 GJACWVKUDFYGJW-UHFFFAOYSA-N 464.574 1.132 30 10 JDEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)C1)S(C)(=O)=O 1295805325 DDDCRVHTRJKCLU-UHFFFAOYSA-N 487.630 1.793 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1300478887 FUBCDOWDFDNCQP-OAQYLSRUSA-N 498.609 1.342 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1300496349 PXDYLCUQKQDEPQ-IRXDYDNUSA-N 496.586 1.003 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C)cc2OCCOC)CC1 1300680946 HCERJZPPUXHOQQ-UHFFFAOYSA-N 466.586 1.651 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccco2)N2CCCCC2)CC1 1300681692 YZJKRAOTWJUCMR-HXUWFJFHSA-N 453.591 1.992 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(Cc3ccccc3)CC2)CC1 1300711619 FEQXKKPUNYRLKY-LJQANCHMSA-N 498.653 1.877 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)NCC=C)CC1 1300731948 JCGMPMHRSCBXNN-UYAOXDASSA-N 456.591 1.465 30 10 JDEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1300830879 MWFSGUASQDLTDD-DLBZAZTESA-N 473.375 1.876 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1300874484 MTISADUQENSUFO-HFJQGTKSSA-N 457.579 1.883 30 10 JDEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301141908 SBOLOGLAUQLCGS-INIZCTEOSA-N 468.558 1.712 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1301502635 NFZKWJSAJKONFC-UHFFFAOYSA-N 459.639 1.694 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(c2cccnn2)CC1 1301515136 QAPAYZSDEJIAGM-UHFFFAOYSA-N 462.558 1.893 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)C1CCC2(CC1)OCCO2 1301568328 RIDCXBUHNRIFOX-UHFFFAOYSA-N 467.592 1.237 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(S(=O)(=O)CC)CC1 1301578766 ICRZGYURMQRJFJ-UHFFFAOYSA-N 455.606 1.288 30 10 JDEE Cc1nc(CN2CCCN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)N(C)C)CC2)no1 1304686703 ADNOTLPXDOWJPE-UHFFFAOYSA-N 463.546 1.699 30 10 JDEE C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1312485741 ACDLAHFFTSMNLH-HNNXBMFYSA-N 451.549 1.487 30 10 JDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1314537948 HBZVONPLPUJVOT-APWZRJJASA-N 463.560 1.404 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)C(C)C)c1 1358901198 CLXQUACUHGUDAE-AOMKIAJQSA-N 476.603 1.352 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(C)CN(C)C1=O 1359018528 SQUIEWOGYKQWTF-QFIPXVFZSA-N 458.950 1.426 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1359038882 OIUYBWXLCYUVDL-UHFFFAOYSA-N 465.646 1.947 30 10 JDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359058483 FPEPOLMKBBSGRL-UHFFFAOYSA-N 484.626 1.417 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(C)=O)CC1 1359090982 HZMXUSHUYRHTAW-ICSRJNTNSA-N 453.547 1.965 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(S(C)(=O)=O)CC1 1359101650 QJUJOWFRWFRBHV-VQIMIIECSA-N 466.633 1.697 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Nc2cnn(C)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1359105400 NWMRIZCYNIXIQY-XIRDDKMYSA-N 451.553 1.069 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1359107934 YGJLDVYDVKFQSR-ZWKOTPCHSA-N 477.635 1.959 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC(C)(C)CN1CCOCC1 1359300880 LXCIIKPFDXGVPM-OAQYLSRUSA-N 484.601 1.887 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1359302724 RHILIKIUQUHOBZ-UHFFFAOYSA-N 466.634 1.561 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1359304191 PSXSVORTDTWMNT-UHFFFAOYSA-N 471.587 1.035 30 10 JDEE C#CCN1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)CC1 1464592999 ZBJFZEOZLFHDEW-QZTJIDSGSA-N 453.630 1.729 30 10 JDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)c1 1473853570 CTYWKEMTJRBIKP-MSOLQXFVSA-N 476.555 1.034 30 10 JDEE Cc1c(C)c(C)c(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC2)c(C)c1C 1474787190 DKZITFRORJQGIG-AWEZNQCLSA-N 456.634 1.871 30 10 JDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1)c1ccccc1 1478897654 YTNIVOBJKCTXAH-SFHVURJKSA-N 454.508 1.408 30 10 JDEE CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1503260093 BIXVQCFEGSKUEP-MOPGFXCFSA-N 493.611 1.064 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1503835460 BZWSQIPUSSKCBV-IBGZPJMESA-N 455.544 1.282 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCN1CCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1507625640 KOAPIQKGFZIHIF-SFHVURJKSA-N 498.030 1.261 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCn1cnnn1)[C@@H]1CCS(=O)(=O)C1 1507628743 PZUSUDNNAWZSEF-LJQANCHMSA-N 454.560 1.211 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507638360 PVFIFWSVUBNSPO-IAGOWNOFSA-N 467.592 1.623 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(OC)c(OC(F)F)c2)CC1 1507723362 FVUJKHOXMBEEBZ-KRWDZBQOSA-N 474.512 1.837 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(O)CCCC2)CC1 1507729060 DEKKCHRZGLMSFP-LJQANCHMSA-N 474.606 1.647 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1507759324 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460.485 1.917 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cncn2)CC1 1722738074 AQMQRBJUEYZPCQ-KRWDZBQOSA-N 451.622 1.608 30 10 JDEE Cc1nc(C)c(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)s1 1725185294 FGUCMUMXGVRXRD-SWLSCSKDSA-N 453.594 1.329 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1740615416 DJAJQYJZEWLBOJ-IKGGRYGDSA-N 460.535 1.690 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1740624393 GGTDRQATVGUOJM-KRWDZBQOSA-N 457.535 1.294 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCS(=O)(=O)C1 1740680662 KLJUIANLSVPHSJ-AWEZNQCLSA-N 470.393 1.947 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccn(C)n1 1740685523 HXBQDFKFWQSRID-LJQANCHMSA-N 473.578 1.649 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(c3ccc(OC)cc3)CCC2)CC1 1740689769 CUKBQEATMUOVFU-IBGZPJMESA-N 486.642 1.774 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC2(O)CCOCC2)CC1 1740702325 ZUURPVOPGAFTMX-UHFFFAOYSA-N 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C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1595797726 ICGAYAFBXKHCMC-BRWVUGGUSA-N 476.690 1.891 30 10 JDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)[C@H](C)O)cc1 1611311192 FUDKNZNNOMMSKQ-HRAATJIYSA-N 457.556 1.075 30 10 JDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)[C@@H]1C 1612860135 CPRYXKZKXZTESI-IAGOWNOFSA-N 459.572 1.903 30 10 JDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1618815175 DLHCEAAYGJINCZ-YGKZAACZSA-N 454.531 1.638 30 10 JDEE COCC[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1619766106 BQWXUWKWFMRDNM-AUSIDOKSSA-N 456.547 1.653 30 10 JDEE COc1cc(OC)cc(N2C[C@H](C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2=O)c1 1624813287 FOCZTLPTYMAHSI-CLCXKQKWSA-N 458.515 1.932 30 10 JDEE C#CCN1CCN(C(=O)[C@@H](Cc2cccc(Br)c2)[C@H]2CCS(=O)(=O)C2)CC1 1631503435 DYTJTKYMCIHZDU-HKUYNNGSSA-N 453.402 1.820 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC2CC2)nc1 1689853006 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C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1690632513 AJGRRIDHKAELHT-MRXNPFEDSA-N 486.602 1.956 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690666008 WFSPIOFYROCDIH-INIZCTEOSA-N 456.547 1.712 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccccn2)CC1 1690725255 KCSZPPYJHOZMLU-UHFFFAOYSA-N 453.572 1.586 30 10 JDEE CC(C)C(=O)NCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1691521710 DCKNCNUCXBLRMD-UHFFFAOYSA-N 459.558 1.629 30 10 JDEE CCn1cnnc1Cn1c(C(=O)N2CCCC2)nnc1N(CCOC)Cc1ccc(C#N)cc1 1695797303 HAWLJDRMDHUQQD-UHFFFAOYSA-N 463.546 1.698 30 10 JDEE CCNC(=O)c1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)c1 1695930181 CVONGPLKSCCDIO-VQIMIIECSA-N 489.602 1.147 30 10 JDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CC1 1697713880 DQSWMDVHVNQKEO-GOSISDBHSA-N 467.574 1.269 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1705479865 PGNPQCSVWOFVPT-SBUREZEXSA-N 458.563 1.643 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1705524644 QBXAUAFDDXSSQV-JKSUJKDBSA-N 454.597 1.747 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705565802 KHLHNPRRGUWNMW-HKBOAZHASA-N 479.647 1.156 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCCN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1705571449 ZLCAXKHMRWDHCI-NRFANRHFSA-N 478.707 1.911 30 10 JDEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1705571612 CVEGGZVRQUFKMR-INDMIFKZSA-N 495.646 1.958 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(F)cn2)CC1 1705645253 PCVVEXFQJJHTDT-HSZRJFAPSA-N 456.522 1.478 30 10 JDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1705663160 YCOFGUQXVVTELV-LJQANCHMSA-N 458.609 1.871 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1705736860 FEFMZSGIHWMJNT-QZTJIDSGSA-N 467.636 1.904 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1)C(C)C 1705869192 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C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCOCCS(C)(=O)=O 1722306449 SJQPFNDGNODGRS-YESZJQIVSA-N 469.608 1.568 30 10 JDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722324808 ZFXOOHJKOQQFGU-IBGZPJMESA-N 458.950 1.616 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CCc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1722359833 WGHZFEZGKLTIPW-SFHVURJKSA-N 464.613 1.674 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1722361166 MCDRERDCWVQAMO-XMSQKQJNSA-N 457.531 1.947 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1722363019 PWINFIZCLYCMDF-IBGZPJMESA-N 473.599 1.743 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722364197 JXTGBJVILNWPGU-NFBKMPQASA-N 480.631 1.764 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1722364225 FIIZHFQWKLQXNM-HXUWFJFHSA-N 481.578 1.956 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(Cl)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722367968 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C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1286462093 CXWVTWQRTNPRJM-DEOSSOPVSA-N 466.542 1.566 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCNS(=O)(=O)CC)CC1 1286474505 GPPBYFHVEVARDW-UHFFFAOYSA-N 487.449 1.464 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](Cc2ccccc2)OC)CC1 1286478485 BCHVYCKLNNHPEQ-RTWAWAEBSA-N 457.600 1.193 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccncc2)CC1 1286488586 OVSJHZPXLNUAAD-RUZDIDTESA-N 466.586 1.922 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCCCS2(=O)=O)CC1 1286490464 VZHOVFQQIVBZHZ-IBGZPJMESA-N 485.610 1.887 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1286496129 NZECWGLTHHTGSU-UHFFFAOYSA-N 460.523 1.827 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1286503550 HLLCTTQXWKUPNF-MRXNPFEDSA-N 451.622 1.153 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccco1)C1CC1 1286736144 BACJNYDOJDCHSZ-OXJNMPFZSA-N 451.549 1.267 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2csc(C)n2)C1 1286810197 OIYWEPIVWYQSKZ-MSOLQXFVSA-N 482.632 1.400 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1C 1286820008 BPBPRUSMHFXXGI-SFHVURJKSA-N 452.602 1.726 30 10 JDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1([S@](C)=O)CCC1 1293241768 GAAPEWFUOHXGFN-CVCYQNGTSA-N 456.572 1.745 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)SC)c1 1300334237 IZUPLZSBLVWBMI-DOTOQJQBSA-N 461.613 1.988 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(CC)(CC)SC)[C@@H]1CCS(=O)(=O)C1 1300479374 MVRGZNJEBWIBAD-MRXNPFEDSA-N 455.650 1.965 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCC(=O)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300501868 NWSZYLWNIIGFIN-LJQANCHMSA-N 484.582 1.056 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCNC(=O)C(C)C)CC1 1300691262 ROZXECXDWJRMCH-UHFFFAOYSA-N 454.575 1.880 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCOC[C@H]2OC)CC1 1300718643 CKDFBQOOKPWHQQ-SIKLNZKXSA-N 467.570 1.971 30 10 JDEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1300991063 OWRRIGINSBAVGY-UHFFFAOYSA-N 487.515 1.075 30 10 JDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1301206776 LCJPPTGAYTWTJF-LJQANCHMSA-N 476.603 1.503 30 10 JDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1301239716 RVLIGZGVOBMAGF-UHFFFAOYSA-N 453.609 1.947 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(N2CCOCC2)CCSC1 1301424111 HIVPKWNOIWPHOB-GHTZIAJQSA-N 485.676 1.027 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1301458034 LOSXUJRFZADBRY-MSOLQXFVSA-N 451.524 1.514 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1301483635 RTOVRSPYKPHLNL-UHFFFAOYSA-N 498.584 1.722 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)Cc3cccc(OC)c3)CC2)nnc1C(C)(C)C 1301518485 HQZGVHIIFACFHD-UHFFFAOYSA-N 454.575 1.778 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNC(=O)OC(C)(C)C)C1 1301557479 PHQZVESGFOGOEL-IRXDYDNUSA-N 469.608 1.876 30 10 JDEE COc1ccc(C(=O)NCCN2CCN([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)cc1 1307538822 HBJPNOHZLJMLLY-HXUWFJFHSA-N 453.568 1.781 30 10 JDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)CCN1S(C)(=O)=O 1316501888 AOCJSFYASZKFDU-MWOWJKGTSA-N 492.627 1.110 30 10 JDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nc(C(F)(F)F)cs2)CCO1 1316539708 FRUIAUMUURMHTE-WDEREUQCSA-N 462.479 1.433 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC2=CCCOC2)c1 1358901631 RHUGTEVDOZDWCD-INIZCTEOSA-N 472.571 1.291 30 10 JDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CCC1 1358949373 ABWMROGPVFVRBA-MRXNPFEDSA-N 467.592 1.623 30 10 JDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H](C)N1CCN(CC)CC1 1358952054 WGCJIQQCRRDDFZ-XMMPIXPASA-N 478.689 1.738 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1358956308 DHTUFOXHAVBXSF-HNNXBMFYSA-N 482.404 1.709 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1COCC)[C@@H]1CCS(=O)(=O)C1 1358961577 BLICUZSAVKRFQD-WOJBJXKFSA-N 471.583 1.441 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1358966598 RXQXKYKBFFDICC-FQEVSTJZSA-N 468.583 1.882 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCCN2CCC[C@@H](C)C2)CC1 1359029105 OPTZQSJCLIXSKO-UXHICEINSA-N 465.668 1.156 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CCOCC2)CC1 1359060515 XLXYVGCBKXHFPU-UHFFFAOYSA-N 474.656 1.937 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1359151339 ROKGDPJKKSGGIR-IRXDYDNUSA-N 485.014 1.413 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)OC(C)(C)C1 1359298180 QBOJVWNKXXILMU-HNNXBMFYSA-N 461.592 1.544 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1359298733 KJORIRQYBQSWDH-UXHICEINSA-N 451.575 1.632 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1359306816 RFGGBLOGUHCHFE-IEBWSBKVSA-N 459.595 1.001 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOc1ccc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1507622283 CWWWVONRQHWLEA-QGZVFWFLSA-N 492.989 1.268 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccnc1OCC(F)F)[C@H]1CCS(=O)(=O)C1 1507631698 RVACKAPAMKNVBY-INIZCTEOSA-N 489.508 1.449 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(N2CCOCC2)n1 1507637105 OAERBGALANSPFA-UHFFFAOYSA-N 456.510 1.278 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCn2cc(Cl)cn2)CC1 1507736311 OHLJWPXFJYMUOL-QHCPKHFHSA-N 490.008 1.835 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cnn(CCOC)c2)CC1 1507739234 CJOKCVWGYQMXJU-UHFFFAOYSA-N 462.558 1.121 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1507741422 SFOSEUUPQIKEPZ-PZJWPPBQSA-N 487.674 1.259 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507752960 HDKUTYFQGPUOJU-CQSZACIVSA-N 453.615 1.259 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncnc3ccsc23)CC1 1508073024 UVYDGJHFPFLFNB-UHFFFAOYSA-N 469.575 1.050 30 10 JDEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1508157210 CMOMNNQVCYAWPR-UHFFFAOYSA-N 457.539 1.339 30 10 JDEE CCc1cnc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)s1 1513720414 FUTPNJZVDRGKIO-KBXCAEBGSA-N 469.568 1.120 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCN1CCN(C(C)=O)CC1 1538974668 XGKDUMJXJJSVGT-HNNXBMFYSA-N 462.396 1.668 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCn1c(C)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1539203293 PBBUYTNCVXMCGT-LJQANCHMSA-N 497.625 1.791 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCN(C2CC2)C1)[C@H]1CCS(=O)(=O)C1 1539204007 XNBZXOFWJPRZIU-XLIONFOSSA-N 476.647 1.308 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1539210483 CDAONSZGYZBWTN-HNNXBMFYSA-N 495.399 1.868 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1539224236 DHUQMOYNUGPLGZ-LJQANCHMSA-N 465.583 1.400 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1539230479 HXPCOBOFHJMXIV-BJLQDIEVSA-N 493.655 1.945 30 10 JDEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@]1(O)CCS(=O)(=O)C1 1539331268 LUNBYRGSVYCRMQ-QHCPKHFHSA-N 451.552 1.294 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[C@H]2OC)CC1 1539489601 VGFORMNAJAPCRJ-LEWJYISDSA-N 453.591 1.921 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(CC)ns2)CC1 1539594120 DTBGYMGFWPSYEN-LBPRGKRZSA-N 467.397 1.878 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1540004866 HLDVAGMQDQHMKU-KRWDZBQOSA-N 459.572 1.814 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(S(C)(=O)=O)CC1 1540867471 XGTVTVKEABLCQN-UHFFFAOYSA-N 463.560 1.278 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(F)F)CC1 1540869150 CYTGLKXABMYUSF-UHFFFAOYSA-N 458.473 1.283 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCc1cnccn1 1540871658 QISSKZBROPRFBC-GOSISDBHSA-N 486.577 1.358 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCN(CC(F)(F)F)CC1 1540874427 GLMYPDHESZBTIQ-UHFFFAOYSA-N 485.536 1.646 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)[C@H](OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540908305 FIWBPITVNHDUPF-WAOWUJCRSA-N 456.609 1.781 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2F)CC1 1540909228 BJHYSQUNZXKITJ-HNNXBMFYSA-N 469.612 1.668 30 10 JDEE CC(C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1)N1CCOCC1 1541239139 GSEDHDJLZGRVMH-IBGZPJMESA-N 458.588 1.551 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3C[C@H](CC(C)C)N(C)C)CC2)c1C#N 1543001790 CGNJCQCKXVMUQW-AZUAARDMSA-N 482.637 1.446 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1588024349 ALAQOULUPGLDMT-INIZCTEOSA-N 465.526 1.564 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588035594 VTRXIIZBHOSMBW-SIKLNZKXSA-N 487.626 1.929 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)Cc2ccccc2C1 1588233039 AIYHBKMZFZOEAQ-QFIPXVFZSA-N 481.622 1.879 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1nnc2n1CCC2 1588581305 MZMHJMMYMJJVBG-UHFFFAOYSA-N 459.352 1.718 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@H]2CCOc3ccccc32)CC1 1588741704 HCMMTDVQHGYVJB-MOPGFXCFSA-N 472.615 1.600 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCCCO)CC1 1588899247 ODOUXCCOTSFVSJ-UHFFFAOYSA-N 473.599 1.477 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccnc(SCC)c2)CC1 1588924281 YXBLKJUAGFHQLT-GOSISDBHSA-N 467.599 1.750 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOc2ccc(C)cc2)CC1 1588929511 BVZCCKUZAAOHJQ-NRFANRHFSA-N 499.637 1.924 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccn(CC)c1=O 1595219254 SRAQMNBKFQEGSP-GOSISDBHSA-N 462.576 1.019 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCN(C(C)C)CC1 1595219562 WRNDQIWOQANEKF-LJQANCHMSA-N 482.651 1.025 30 10 JDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1595405461 PXTLKIHHJBLCBW-QGZVFWFLSA-N 465.601 1.186 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](COC(C)C)C1 1595490435 RLUTZVOKPXDSCI-INIZCTEOSA-N 481.395 1.979 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccccc1)CC1CCOCC1 1595538035 XSKAZHSGAXMHEB-FQEVSTJZSA-N 452.559 1.965 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@](C)(CC)C1 1595551047 KXXIAGCHKWYYKW-HXOBKFHXSA-N 478.594 1.894 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1595569679 MZONUSTWKWCKOS-SFHVURJKSA-N 482.633 1.917 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1595883803 BWCTZMOKLOFMNU-MIALQEHNSA-N 456.634 1.872 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCC1(O)CCOCC1 1608583972 BZCVFQYZDPLFCG-UHFFFAOYSA-N 481.601 1.542 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc([C@@H](C)Oc4ccc(F)cc4)n3CC(=O)N(C)C)CC2)c1C#N 1612469764 GBLGXBDNGMEKQF-QGZVFWFLSA-N 495.563 1.886 30 10 JDEE COc1cc(N=C2N[C@@H]3[C@H](O)[C@H](O)C[C@H](C(=O)NCCN4CCCCC4)[C@H]3S2)cc(OC)c1 1614399511 YSUMOZGQHBAZKP-SRHPJPHMSA-N 478.615 1.109 30 10 JDEE N#Cc1ccc(O[C@H]2CCN(C(=O)CNS(=O)(=O)c3ccccc3C(F)(F)F)C2)nc1 1628796594 HMJLIPFTSSGRKI-AWEZNQCLSA-N 454.430 1.930 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCOC[C@H]2C)c1 1689872389 XKFHPKADMSPOCO-YZGWKJHDSA-N 485.610 1.909 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCCn1cnnn1)[C@@H]1CCS(=O)(=O)C1 1689984306 NEENPDNHHDZPEA-OAHLLOKOSA-N 478.941 1.441 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCOc1ccc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1689987980 GYMNPWJEXHQCPV-MRXNPFEDSA-N 473.946 1.489 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN1CCCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689989562 GSILRMKCAVIGTR-NJYVYQBISA-N 479.647 1.300 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1690100033 VCMMIAWULFBRBX-YZGWKJHDSA-N 485.589 1.789 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCS(=O)(=O)N(C)C)CC1 1690111360 AIMZNFNKKQAGRE-FQEVSTJZSA-N 474.631 1.682 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C(F)(F)F)c2)CC1 1690112163 QNKPGHFFPNJWMA-OAHLLOKOSA-N 470.521 1.711 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2nc(C(C)(C)C)cs2)CC1 1690124251 IANVMZDSVHPWJR-QGZVFWFLSA-N 476.672 1.932 30 10 JDEE C#CCSCCn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1690186412 PKJGDRSBKKOXDU-VGOFRKELSA-N 476.603 1.063 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)C(C)C 1690581713 XGXFRZHUTZMICQ-ANULTFPQSA-N 469.634 1.890 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690669077 SVDGMUOLCJLTHA-SFHVURJKSA-N 455.544 1.056 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3cccc(F)c3)C2)nnc1[C@@]1(OCC)CCOC1 1690677972 GPRPOIJRSYYIKK-WMZHIEFXSA-N 459.522 1.949 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(O)CCS(=O)(=O)CC2)C1 1690688342 SXMNLMXSLIGNJK-XMSQKQJNSA-N 484.619 1.040 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C1 1690696485 CSBFLMRUDFUFHS-IXDOHACOSA-N 472.512 1.664 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1690727232 XRAABVPYGKRKOB-UHFFFAOYSA-N 465.539 1.400 30 10 JDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690749393 BJUMIWLAYHYVIR-UHFFFAOYSA-N 472.663 1.803 30 10 JDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1692561090 CLEZQBWYGDGOFQ-UHFFFAOYSA-N 464.574 1.086 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CC(F)(F)Br)[C@H]1CCS(=O)(=O)C1 1705569211 DSCRDMNSNACBHO-AWEZNQCLSA-N 474.331 1.878 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC(=O)N2CCOCC2)CC1 1705633617 URUVUFJSAPSPKU-GOSISDBHSA-N 472.977 1.686 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1705635004 OQVRBHKRSRRLMB-MRXNPFEDSA-N 495.447 1.626 30 10 JDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1705643932 VUVHKTUASZQKCT-KRWDZBQOSA-N 483.598 1.322 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(C)CCO[C@H]2C2CC2)CC1 1705644526 SWHOGTQKKLCHTM-YADARESESA-N 456.591 1.587 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCC(C)CC2)CC1 1705647136 BAZRHPWTNKFOBV-HXUWFJFHSA-N 455.607 1.317 30 10 JDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(NC(C)=O)CC1 1705656263 UHTZZXSRACPCKH-UHFFFAOYSA-N 451.560 1.392 30 10 JDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705809754 BITMJBKUXKDWKU-CTNGQTDRSA-N 457.623 1.859 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(C(C)C)CC1 1705900758 OHTOMCUCQYFCAA-UHFFFAOYSA-N 464.574 1.415 30 10 JDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1705944256 ZNHLRYZZJMMFAS-HNNXBMFYSA-N 453.572 1.778 30 10 JDEE CCc1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)cc1 1708928548 CJWREEZATCLOKJ-KNQAVFIVSA-N 476.578 1.858 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC(C)CC2)CCO1 1711368124 BQBNZMHJGNTQGT-OAQYLSRUSA-N 467.574 1.412 30 10 JDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(OCC(F)(F)F)c2)CCO1 1712883886 BQAPLNMEKDGZTG-NVXWUHKLSA-N 485.488 1.898 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1722316199 DFWKUHJWRCAUBQ-NQIIRXRSSA-N 489.598 1.691 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCCS2(=O)=O)n1 1722428834 BURXZASCJMGONH-CTNGQTDRSA-N 490.630 1.622 30 10 JDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C)C(=O)[C@H]1C 1722459539 MMBJZYWWFLEOKS-QGZVFWFLSA-N 454.604 1.485 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1722686085 RNUFYQOYMFRQKF-YLJYHZDGSA-N 451.524 1.034 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1722696833 FNKNEIVWBSCQDP-UHFFFAOYSA-N 461.592 1.201 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(F)(F)C2(OC)CCOCC2)C1 1722717650 CSLYLTROSQASFZ-SJORKVTESA-N 490.573 1.792 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)NC)CC1 1722724308 SUZPOAZVXRFHRH-LJQANCHMSA-N 460.604 1.882 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722729129 GCGBRGQWLZBIGZ-GOSISDBHSA-N 492.627 1.131 30 10 JDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722737309 AMXYRQBCZNTHML-OAHLLOKOSA-N 474.612 1.735 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1S(=O)(=O)N(C)C 1722866931 DJZJHJJZBZCRPG-RDJZCZTQSA-N 480.616 1.075 30 10 JDEE CC(C)NC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1723626724 BDQFDECPRQZZBI-UHFFFAOYSA-N 470.553 1.668 30 10 JDEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1728326722 DXKYXCJSEHUOOL-IBGZPJMESA-N 458.588 1.838 30 10 JDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)C[C@@H]1C 1728620901 DACODELAAVSCKI-KRWDZBQOSA-N 460.542 1.801 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCN(CC)C2)c1 1740562193 MCBWJJCKDYLCQP-IBGZPJMESA-N 451.575 1.814 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccco2)c1 1740564764 WVGHDAHLZWEGLV-QGZVFWFLSA-N 453.524 1.878 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1740619820 LMHGTDGXCIWCML-IRXDYDNUSA-N 462.572 1.872 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1740627261 FVTYWRSFEOKRKC-MOPGFXCFSA-N 455.540 1.392 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CC(C)(C)C2)CC1 1740701661 ANGSNUKBRNIYBM-HNNXBMFYSA-N 450.609 1.290 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@](C)(O)CC)CC1 1740705346 FYJGNVVSTCZBOC-XMMPIXPASA-N 463.542 1.721 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(OC)c1)C1CC1 1740910574 PXYIVGIZAMWVLK-HXUWFJFHSA-N 477.587 1.831 30 10 JDEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1S(C)(=O)=O 1740934965 WXLNWCPTBMXILM-GOSISDBHSA-N 476.603 1.766 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740989815 AFKYJGLSZWHWFK-XLIONFOSSA-N 456.572 1.939 30 10 JDEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1741150474 ASKIOLPZUKIHII-UHFFFAOYSA-N 458.588 1.992 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 1748801693 DOMVWEDCUHOAJS-SFHVURJKSA-N 487.582 1.057 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748818534 CEQIVHSEOWTDGP-SFHVURJKSA-N 475.590 1.797 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748825382 YDQFHYYJGYIUTR-KFWWJZLASA-N 450.483 1.724 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(N(C)C)CCCC2)CC1 1749003642 QLVFPVCQRHMTHP-VWLOTQADSA-N 472.634 1.770 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(F)c(Cl)c2)CC1 1749004661 LQRUDSNNWOVOOS-AWEZNQCLSA-N 496.996 1.695 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCN(C)C2CCCCC2)CC1 1749015563 HECMFRGVJBIDBV-UHFFFAOYSA-N 469.634 1.631 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CC=CCC2)CC1 1749020013 IBCDWFLVFNRPJG-SFTDATJTSA-N 456.591 1.230 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)NC)CC1 1749024628 WVUVUTHTWZISLF-UHFFFAOYSA-N 491.643 1.023 30 10 JDEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1749199360 NPIHJJQUXGBVFE-IBGZPJMESA-N 463.608 1.347 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1749669829 OGBUPLCZEQYGDQ-SFHVURJKSA-N 492.646 1.148 30 10 JDEE 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2282107956 RNNLVNZNUUGVGE-UHFFFAOYSA-N 464.368 1.272 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2282174471 QJIMHRJIOJBHQM-NVXWUHKLSA-N 461.368 1.729 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC1(CNC(=O)OC(C)(C)C)CCC1 2282332547 CVRLDJLKPDQEPQ-UHFFFAOYSA-N 484.428 1.693 30 10 JDEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282611304 JMJFLIWCWPVNIO-GJZGRUSLSA-N 463.388 1.880 30 10 JDEE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282617587 KRTKFYOCJASERI-LSDHHAIUSA-N 463.388 1.880 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2282680723 RSJMOSUGWDNVHI-CQSZACIVSA-N 463.388 1.880 30 10 JDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2282844037 WXJKARREDMIXJU-GOSISDBHSA-N 493.460 1.763 30 10 JDEE CC(C)(C)OC(=O)N1[C@@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)COC1(C)C 2283055673 IPMZCRWSIBCJRY-AWEZNQCLSA-N 462.356 1.878 30 10 JDEE Cc1cc(CNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2289467578 NAKBWKOXIDDMCG-QGZVFWFLSA-N 461.368 1.679 30 10 JDEE CCn1c(N2C[C@H](C)O[C@@H](C)C2)c(C=C2SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 2314461414 KJYRCPYFJMXPRP-RYUDHWBXSA-N 476.580 1.948 30 10 JDEE Cc1c(C=C2SC(=S)N(CC(=O)O)C2=O)c(N2C[C@H](C)O[C@H](C)C2)n(C)c(=O)c1C#N 2314462006 OSGWQODXEYFSQI-PHIMTYICSA-N 462.553 1.465 30 10 JDEE C[C@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)C(CO)(CO)NC(=O)OC(C)(C)C 2370331824 LGNUBAMYHSSNIP-CQSZACIVSA-N 484.424 1.815 30 10 JDEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2370331868 LQMLZZLLKIVDIO-UHFFFAOYSA-N 462.352 1.076 30 10 JDEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cc(OC)cc(OC)c3)n2N)cc1 20806080 QEWLOOQVLZGUIM-FOKLQQMPSA-N 485.526 1.973 30 10 JDEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccccc3O)n2)cc1 21040480 UVGWGZTYCRRNJR-RGVLZGJSSA-N 475.556 1.985 30 10 JDEE COC1=C(S[C@@H]2OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)C(=O)c2ccccc2C1=O 504779541 JDCNBMWDXWHBMP-LYKNXKPOSA-N 478.475 1.808 30 10 JDEE biogenic CCCCCCCCCCCC(=O)NCC[N@+](CCO)(CC(=O)O)C[C@H](O)COP(=O)(O)O 606564014 BEKGQTYMVRJGGP-WMZHIEFXSA-O 499.562 1.387 30 10 JDEE COc1ccc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2=O)cc1OC 610548797 FDSZQXLRPJDLJL-GOSISDBHSA-N 484.534 1.214 30 10 JDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1cccs1 729672848 LKGMUGNESVWQTJ-UHFFFAOYSA-N 461.572 1.643 30 10 JDEE COCCn1cc(C=NNc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)cn1 1083962602 HMGMQIHSLVQHBL-UHFFFAOYSA-N 458.504 1.231 30 10 JDEE Cc1c(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cnc2c1c(=O)n(C)c(=O)n2C 1135981773 AAYHLQNLHNCARN-SFHVURJKSA-N 450.474 1.102 30 10 JDEE CCCN(C(=O)[C@H](C)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)[C@H]1CCS(=O)(=O)C1 1193323357 HVJCPKCPWAQEEO-DZFGPLHGSA-N 450.580 1.822 30 10 JDEE C#C[C@H](NC(=O)NC[C@@H](O)COc1ccc(I)cc1)C1CCOCC1 1253347161 BCIDPDSXXUFQGK-WBVHZDCISA-N 458.296 1.759 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1286303443 CJSFZJISTPGAME-XFQAVAEZSA-N 467.592 1.358 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCOc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1286382951 UKSCJLXJAOQDEA-GOSISDBHSA-N 498.540 1.770 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1286393220 KVVXODCPDBKEGW-VXKWHMMOSA-N 492.690 1.564 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1286471627 PAFBEAFDYIUNME-GOSISDBHSA-N 459.595 1.525 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)CN2CCCC2)CC1 1286490055 GNTVAWHNHQGMFK-IBGZPJMESA-N 455.607 1.317 30 10 JDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1286632396 IMZVITGNRUSRMQ-MGPUTAFESA-N 461.014 1.881 30 10 JDEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)N1CCOCC1)c1ccccc1 1286679494 QGUBKJGNWGHVQM-PMACEKPBSA-N 452.559 1.884 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1286688813 TZTKCIMJVPBUSA-HXUWFJFHSA-N 494.662 1.806 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccn(C)n1 1286743057 UYBUEDXVAMYUJX-INIZCTEOSA-N 454.560 1.734 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(NC(=O)C2CC2)CC1 1286779056 DFOJFUKZPNZPQA-UHFFFAOYSA-N 476.379 1.833 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCN(C)C2)C1 1286808108 AQYUJTXLNANTHV-YDIMBITNSA-N 492.621 1.434 30 10 JDEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1295173977 AIHYQAUWSCKYIS-PXNSSMCTSA-N 458.588 1.551 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1300363851 HDXRDZADFWXPFU-REWPJTCUSA-N 491.589 1.652 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCC(=O)N1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1300489032 ZGSDSNZANUXSOB-HXUWFJFHSA-N 470.599 1.760 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1300504005 IBFUJJDKCDHTFU-VQTJNVASSA-N 469.567 1.782 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1300729434 ZOQHOCDBUJMIAV-GOSISDBHSA-N 454.600 1.811 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](N2CCCC2=O)C1 1300770460 UBSGVFGOTQSBSX-INIZCTEOSA-N 458.613 1.837 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@@H]1C 1300883368 AHRBXLDNMDADIO-MANSERQUSA-N 483.635 1.596 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1301189246 TXPJRRFZZXRMGN-KSEOMHKRSA-N 492.690 1.915 30 10 JDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C[C@H](C)O1 1301358783 DMWLOQLHDOIQPS-PGRDOPGGSA-N 467.574 1.221 30 10 JDEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301530220 WMYOZHKHWIKLRM-IEBWSBKVSA-N 450.499 1.708 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCCS2(=O)=O)C1 1303933765 AWDXFCNNXHBCPV-OAQYLSRUSA-N 492.627 1.514 30 10 JDEE Cn1cccc1-c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCNS(C)(=O)=O 1314911893 HJVISEMTLYKDCT-UHFFFAOYSA-N 451.556 1.998 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1358918989 OCFNTZCTMGFTOO-OAQYLSRUSA-N 472.553 1.687 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(OC)nc1OC)[C@H]1CCS(=O)(=O)C1 1358961776 FEPYTQYIIUENIR-ROUUACIJSA-N 475.571 1.259 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1ccc(C)n(C)c1=O)[C@H]1CCS(=O)(=O)C1 1358965153 OXUKULVBJMVYDR-QFIPXVFZSA-N 479.606 1.859 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1358965239 QNWKGOHVGLDRHO-MRXNPFEDSA-N 462.626 1.960 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC(O)CC1 1358992197 DEEYUZANPPYQHO-HSZRJFAPSA-N 460.582 1.697 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(Cl)c2C)CC1 1359036239 QYALALWVBKDJGA-HXUWFJFHSA-N 493.033 1.376 30 10 JDEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359060928 LTZMEZLEGGTQJS-UHFFFAOYSA-N 482.610 1.459 30 10 JDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1359082099 YLNFMUXJCHQRAZ-GJZGRUSLSA-N 466.384 1.955 30 10 JDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1359222632 NNYIWZYZFSWFRN-ABSDTBQOSA-N 457.597 1.255 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCNS(=O)(=O)CC)C1 1359313290 JUGCYQONEUFOQE-HNNXBMFYSA-N 487.424 1.767 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 1359324955 VHFKIZAOIVWWJT-HXUWFJFHSA-N 473.599 1.775 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC2CCOCC2)CC1 1359329922 ZIJDGGWHKBDBQK-UHFFFAOYSA-N 484.626 1.966 30 10 JDEE C#CCn1cc(CNC(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)cn1 1467726454 GXUWPNOOQASAMF-UHFFFAOYSA-N 452.492 1.654 30 10 JDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)C(=O)OC(C)(C)C)CC1=O 1503681113 CASDOKMWEVEZIA-UHFFFAOYSA-N 469.546 1.874 30 10 JDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCC2CCN(CC(F)(F)F)CC2)CCO1 1505321711 DRANABTXQQBJKA-CVEARBPZSA-N 455.485 1.622 30 10 JDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OCC(F)(F)F)cc2)CCO1 1505321921 GBLDXHHVRACAGF-CVEARBPZSA-N 450.421 1.947 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCCC2=O)cc1 1507538901 PYMIVFAWHYYNQH-YLJYHZDGSA-N 455.584 1.809 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCSC1 1507540599 FPDUYEFEQZUYPY-HYBUGGRVSA-N 454.644 1.969 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC(=O)N1CCOCC1 1507543032 NQIVEGJIGYGNBU-OAHLLOKOSA-N 462.348 1.936 30 10 JDEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1507582419 FZMWDSKNCCBPLN-UHFFFAOYSA-N 454.556 1.713 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cnn(CCOC)c1)[C@@H]1CCS(=O)(=O)C1 1507626456 FUVUSWGXEYMZPX-GOSISDBHSA-N 458.544 1.364 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1507627465 JLRSFORFMHNVTK-HSZRJFAPSA-N 495.653 1.471 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(C(=O)NCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1507631204 CALBVDMVHPIBSR-MSOLQXFVSA-N 463.604 1.453 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 1507632275 KIZLGYSQLVIUNR-TZMCWYRMSA-N 453.977 1.619 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCOCC1 1507702404 UVBXPOHBFSIEQQ-SFHVURJKSA-N 489.573 1.241 30 10 JDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507751200 DWFQKGGKZFLMCR-HNNXBMFYSA-N 480.616 1.138 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1507807063 BZTRCJWNDGZERW-ISHFTEKXSA-N 463.579 1.253 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@@H](S(=O)(=O)NCC)C2)nnc1[C@]1(OCC)CCOC1 1507811658 SSZSVZUXHTXDGN-IWQHBPENSA-N 483.635 1.429 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCN(C(C)C)CC2)CC1 1507903241 RQOSUMKDKFXECA-LJQANCHMSA-N 451.637 1.818 30 10 JDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(=O)NC)C1 1507962604 URKDQVJXODVTKX-KRWDZBQOSA-N 465.558 1.747 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](SC)C1 1508144790 GYXHUBYHKXNOPC-JKSUJKDBSA-N 462.663 1.503 30 10 JDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1508150486 MSHTZELZZJKLBP-UHFFFAOYSA-N 485.657 1.349 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1508417151 HQCAPJXPKJQPEW-HZPDHXFCSA-N 484.586 1.212 30 10 JDEE Cc1ccc(NC(=O)c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1C 1510932944 DKZCHVYXMAKBNC-HTAPYJJXSA-N 489.577 1.871 30 10 JDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCc1ccc(S(C)(=O)=O)cc1 1511883857 BDBHLHPAYHBSNN-UHFFFAOYSA-N 451.556 1.826 30 10 JDEE CN(C)c1cccnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1517008170 GSZZZIHDWDWIGK-UHFFFAOYSA-N 451.556 1.807 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCOC[C@@H]2OC)c1 1539040059 KKRYUTRWJXARTR-NQIIRXRSSA-N 463.542 1.786 30 10 JDEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539081627 DRDSVHWTYFSGCD-QGZVFWFLSA-N 456.934 1.461 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1539215865 KPPSLYSZDYWGNF-KNQAVFIVSA-N 472.546 1.352 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C(C)(C)C 1539325071 BBZAMOLAORPCHT-ROUUACIJSA-N 451.593 1.135 30 10 JDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN1CCCO 1539371109 NVODFDZPECTZLO-VQTJNVASSA-N 476.622 1.893 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CCNS(C)(=O)=O 1539399739 RTVPWEYROSIAEC-UHFFFAOYSA-N 456.366 1.343 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1539513016 KFEDOYKMXDGDBI-OAQYLSRUSA-N 451.600 1.901 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539622994 JLDBICZOQPCNPJ-FGZHOGPDSA-N 491.596 1.971 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1539631063 IEDMBWLUOGJAHV-VHPHOLNESA-N 454.593 1.402 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1n[nH]c(C)n1 1540133220 GUDOHLWTKYEEPY-IBGZPJMESA-N 486.602 1.473 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540879343 AKOXQXJNISHUFZ-SFHVURJKSA-N 488.614 1.597 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CNC(C)=O)C1 1540880435 GTWARRQDFSMCSL-WOJBJXKFSA-N 489.598 1.135 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1540903107 YPPSXTGQWQOGOU-KRWDZBQOSA-N 461.592 1.544 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NC(C)C)C[C@H]2C)CC1 1541002977 YADWBDPFYVWTBP-XMSQKQJNSA-N 478.601 1.330 30 10 JDEE Cc1n[nH]cc1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1542053734 GGKMDUDTQNMEOX-UHFFFAOYSA-N 454.560 1.563 30 10 JDEE CCC[C@@H](C)C(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1546858725 AJPICWMVAQNIPX-GOSISDBHSA-N 476.589 1.824 30 10 JDEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1554539173 DIACKBDBVFAHNB-MWTRTKDXSA-N 455.515 1.658 30 10 JDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1555524525 FYJQDMHCVCGGJF-FQEVSTJZSA-N 451.575 1.890 30 10 JDEE C#CCN(CC(=O)NCc1ccc(OCC(N)=O)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1560141429 SNGVZULTBLXSQL-UHFFFAOYSA-N 458.559 1.502 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1588034985 OCFJVTACWQPVFK-FDDCHVKYSA-N 492.573 1.753 30 10 JDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1588035104 PDEIAVNUHNCHSJ-RTWAWAEBSA-N 469.611 1.973 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)COCCO1 1588233307 GWEIHOVUFWCFOV-CYFREDJKSA-N 473.574 1.855 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)c2ccccc2)CC1 1588751772 MSSOWOJLCWQFLC-RPBOFIJWSA-N 453.587 1.982 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1588962080 SWJUNJCVTUGZLJ-DEOSSOPVSA-N 468.533 1.440 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1595405080 BGZADZHGCHSTAG-FQEVSTJZSA-N 475.615 1.679 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(C)cc1 1595550861 JATFRMUXHITIIT-UXHICEINSA-N 488.614 1.563 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)Cc3ccccc32)C1=O 1595762439 BTQXDADTBTUYAN-OAHLLOKOSA-N 456.499 1.693 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1595788520 BOJSGYWKKKWCIV-PGRDOPGGSA-N 459.572 1.582 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)[C@H](C)CC)CC1 1615937777 HAOUVHVTZMNUID-KOSHJBKYSA-N 453.591 1.872 30 10 JDEE CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1617304274 BFVLLJPSXUIVOK-IBGZPJMESA-N 472.571 1.398 30 10 JDEE CN(C)c1cccnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1617671782 HKNFYDJPBQSARF-SFHVURJKSA-N 451.556 1.949 30 10 JDEE CN(C)S(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC#N)CC1 1617714145 AYZQAGJJNFWRFV-UHFFFAOYSA-N 465.605 1.291 30 10 JDEE COc1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1S(=O)(=O)NC1CC1 1622979121 APUBDRHHXBSDCV-AWEZNQCLSA-N 456.528 1.148 30 10 JDEE C=CCOC[C@@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1)C(=O)OC 1634058361 AJWZINFXSRCOGN-RTBURBONSA-N 452.529 1.293 30 10 JDEE CC[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC[C@H]1NC(=O)OC(C)(C)C 1637961735 ASQQELMFPYLRLW-SJLPKXTDSA-N 450.561 1.988 30 10 JDEE COc1cccc([C@@H](NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c2nccn2C)c1 1641554257 ICJVWYOUVIDGNQ-MGPUTAFESA-N 453.524 1.873 30 10 JDEE CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CCN(c3ccc(C#N)nc3)CC2)c1 1660049278 GCKFKMBYXDXHTC-UHFFFAOYSA-N 456.572 1.744 30 10 JDEE C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1=O 1666331779 UUSKSDGIKCUHAC-INIZCTEOSA-N 456.952 1.612 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(OC)cc2Br)CC1 1685875389 OWRNDKUPJUGDSV-CYBMUJFWSA-N 459.366 1.314 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn(CCOC)c1 1689834999 DLCIDVKZOQVKRX-KRWDZBQOSA-N 471.587 1.545 30 10 JDEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1689933803 ZOOKRCRWOANSMR-UHFFFAOYSA-N 472.540 1.541 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(C(=O)NCC)cc1)[C@@H]1CCS(=O)(=O)C1 1689990867 STABDSRRNOMVTF-LEWJYISDSA-N 485.610 1.597 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1689991721 BKZWECIKXGAQPW-LJQANCHMSA-N 454.556 1.286 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CCS(=O)(=O)NC 1690006132 JIEIFRCUGUYOEV-UHFFFAOYSA-N 466.361 1.338 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(S(=O)(=O)CC)CC1 1690188474 JRUNVQGKDVGQGZ-WMZOPIPTSA-N 456.634 1.772 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)c2ccccc2)CC1 1690364290 NBEARMWWNPHKQK-MRXNPFEDSA-N 453.590 1.519 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN(C(C)=O)C1)C1CC1 1690544769 ANLIOXYZNYFTCJ-MJGOQNOKSA-N 466.608 1.024 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1690676278 VIZVAZVNSCIXMF-FPOVZHCZSA-N 454.575 1.625 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1690715532 NRKDRCBTRJWAFK-UHFFFAOYSA-N 466.652 1.527 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](OC)C1 1690723167 KCYVCIWMHAYQNF-QGZVFWFLSA-N 486.598 1.891 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)NCC)CC1 1690729511 OICAXHLRSPAYPS-UHFFFAOYSA-N 490.630 1.926 30 10 JDEE CCN(CC)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1695598540 CVOSMWJZHIEDPB-UHFFFAOYSA-N 482.589 1.791 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1705495030 JWNWTTKNVNXHAW-ARFHVFGLSA-N 463.526 1.291 30 10 JDEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1705519053 XASUBJMVMYQNPI-FQEVSTJZSA-N 450.568 1.947 30 10 JDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705519949 CFCXMEFMZLHPRN-UHFFFAOYSA-N 483.598 1.000 30 10 JDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCN(CC)S(C)(=O)=O 1705549590 BBQVHLZNJUOMST-UHFFFAOYSA-N 485.614 1.977 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1705559303 XJSVPJLLLWUEBM-APWZRJJASA-N 461.563 1.986 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1705562861 LUJTYKLXSATCDV-HKUYNNGSSA-N 472.567 1.934 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1705567014 SIQBEDRSRDAOHB-IAGOWNOFSA-N 497.668 1.123 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCCN1c1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1705570740 QOEPDOAYRCBGDI-MOPGFXCFSA-N 459.620 1.506 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C(C)C)C1 1705737333 ONBJKDLMXAYPDZ-MSOLQXFVSA-N 473.665 1.782 30 10 JDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705744420 CJCCFZNZWKILAI-UHFFFAOYSA-N 453.956 1.538 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(=O)OC)C1 1705902380 CZRUQFYOYOKIHK-DLBZAZTESA-N 476.578 1.694 30 10 JDEE C[C@H]1COC(C)(C)CN1c1nnc(-c2cccc(C#N)c2)n1CCNS(=O)(=O)Cc1ccon1 1712853701 BACFNGGBIJWOMZ-INIZCTEOSA-N 485.570 1.928 30 10 JDEE N#C[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1712882840 HDBIRPGAAIQWQD-CJNGLKHVSA-N 466.361 1.871 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1722366734 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474.537 1.864 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1722372095 OYSMALVNUNMILP-SJORKVTESA-N 468.530 1.191 30 10 JDEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1722450680 BRFRRGGQFLXBJA-GOSISDBHSA-N 450.609 1.706 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cnn(C)c1 1722517290 IRUWVPTXQKFUEF-GOSISDBHSA-N 451.597 1.380 30 10 JDEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCN(S(C)(=O)=O)CC1 1722625545 SWWREGURXQWZPN-UHFFFAOYSA-N 477.587 1.781 30 10 JDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)C(=O)NCC2 1722675171 XQONZMSIRGXKQL-UHFFFAOYSA-N 461.526 1.898 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722696472 OYTBDKOYWXEVLJ-GCJKJVERSA-N 483.592 1.765 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2CCS(=O)(=O)CC2)C1 1722710923 QGZXDKVBGMODOL-GHTZIAJQSA-N 454.593 1.536 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](C(=O)OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1722731579 OMUJWXQNBUDBRJ-UTKZUKDTSA-N 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1.639 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1300411825 OFGKLDIZCBVNPV-SBUREZEXSA-N 458.563 1.716 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1COc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1300479809 SJVREMVAAOCEMO-DLBZAZTESA-N 457.556 1.219 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1300484892 UYGDOZJWPNBTQK-URFJDIBFSA-N 480.631 1.497 30 10 JDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1300496388 QUCHAUWPKIDZOQ-QKLQHJQFSA-N 476.555 1.079 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCN1CCN(C)C(C)(C)C1 1300579869 YVFUKSVEYURIRV-UHFFFAOYSA-N 451.575 1.495 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1300618883 OIBOUWHATSNLMY-MRXNPFEDSA-N 469.571 1.076 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CCC)C1 1300990290 JBXBGUMNYKPHEV-MSOLQXFVSA-N 457.597 1.209 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1301151050 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454.641 1.790 30 10 JDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1594807089 DGZRRLQDMRXHIR-SJORKVTESA-N 451.535 1.199 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1595551338 OUCLTQGWKWRUDD-PXNSSMCTSA-N 468.558 1.978 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2cccc(F)c2)C1 1595729141 JWMRBHNBQHJKAZ-VQTJNVASSA-N 495.577 1.610 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1595760892 UPOUQENBZZHGJI-RTBURBONSA-N 458.588 1.635 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1595765889 JHFJMSOYZYYJJF-KBPBESRZSA-N 486.348 1.751 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1595777850 RNYNRDABEKKWBJ-HZPDHXFCSA-N 465.601 1.675 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)C)CC1 1595884430 LPKGTKADAODSPF-GOSISDBHSA-N 472.681 1.451 30 10 JDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1618505670 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463.583 1.753 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705562754 JFMRPPXLTVOOHQ-REWPJTCUSA-N 496.637 1.944 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(OC)cc1 1705582700 HPFLWQDIMWYPKE-WIYYLYMNSA-N 487.582 1.160 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCOCCOC)CC1 1705638559 OHNBQLKGWHLITK-UHFFFAOYSA-N 465.558 1.000 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2CCN(C(C)=O)CC2)CC1 1705649659 CDHONCNHGOXBLO-UHFFFAOYSA-N 463.586 1.488 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1705650353 PNCWTULZNOALRT-FQEVSTJZSA-N 477.569 1.017 30 10 JDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1705799955 KYIKQAVVYLADRH-GOSISDBHSA-N 462.624 1.978 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCC1CCOCC1 1705896143 CPNQGVOUQSFMGU-UHFFFAOYSA-N 461.588 1.904 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1705899010 FRNBXMVDSYZNPV-KRWDZBQOSA-N 468.525 1.496 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1705907294 HJYUAHUCLFSZTB-MRXNPFEDSA-N 482.566 1.848 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)OC)CC1 1705932526 FWQCREGOGNUKNF-UHFFFAOYSA-N 477.543 1.206 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705937932 IYSVKMGERNWZCS-UHFFFAOYSA-N 498.609 1.731 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cnc(C(C)C)nc1 1711417619 AVONGDBVSYXOKM-UHFFFAOYSA-N 454.560 1.916 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccnc1OCCOC)[C@H]1CCS(=O)(=O)C1 1722359563 OWPVKBVYIXKKMA-IBGZPJMESA-N 485.566 1.942 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1722362483 BENYDFXZHOIZNR-URXFXBBRSA-N 488.610 1.486 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)CN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1722367695 XGDZONQURIKBAO-FYYLOGMGSA-N 499.685 1.164 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1722397987 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C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1740619925 RNAPYWIPYULNAG-LJQANCHMSA-N 483.554 1.879 30 10 JDEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1740620204 CGERBINGXNCWQS-INIZCTEOSA-N 454.556 1.152 30 10 JDEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1740621728 OKTFNBIMFDMBRT-SFHVURJKSA-N 482.610 1.932 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740629705 XASNBAIVNQYVBL-MBDNFAEBSA-N 493.674 1.751 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2Cl)N(C)C)CC1 1740694603 OBTSVMICHCIHHU-UXHICEINSA-N 455.994 1.941 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2(COC)CCOCC2)CC1 1740703942 DIHFWBNFQCAPJM-UHFFFAOYSA-N 453.547 1.144 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2(F)CCC2)CC1 1740705291 DVANOACVFVNRSB-KRWDZBQOSA-N 451.568 1.428 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccn(CC)c2=O)CC1 1740705720 LNVABYPKHUIUOQ-HXUWFJFHSA-N 452.559 1.715 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)C(=O)NC)CC1 1740707876 UBMPGNXNLDJHQY-RTBURBONSA-N 472.634 1.935 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1740710384 YNDQGXSAPCSTHR-HZPDHXFCSA-N 486.664 1.700 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1cccc(CS(C)(=O)=O)c1 1740734060 PRTVENNLPRBHBU-HSZRJFAPSA-N 455.584 1.986 30 10 JDEE C=C(Br)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)[C@@H]1CC 1740737968 BJRYJUZOFHZHER-INIZCTEOSA-N 497.419 1.819 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCN(CC)CC3)nc2)CC1 1740818959 ZLUFRECDTXJWRZ-LJQANCHMSA-N 488.662 1.630 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(NC(C)=O)nc2)CC1 1740840417 YHUSIKLTZWOYNI-LJQANCHMSA-N 489.602 1.415 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](OC)[C@H](OC)C1 1740953545 JICPURLQCFFJGL-GASCZTMLSA-N 453.341 1.198 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1740992353 FUXCTKVWPGIZOC-GOSISDBHSA-N 476.534 1.878 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1740993941 KLKBVCKSQGHWLG-MRXNPFEDSA-N 489.019 1.735 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1748808761 MVUFOPWQJOMMQP-HNNXBMFYSA-N 454.499 1.944 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)Oc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1748815346 PGGJYDXWJPWRTG-IEZWGBDMSA-N 492.001 1.977 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCn2ccnn2)CC1 1749016755 NDUDPKSHJFNVNT-UHFFFAOYSA-N 450.522 1.656 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1749043173 FMJKAHOOEIWHHK-UHFFFAOYSA-N 466.611 1.658 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C(C)C)N1CCOCC1 1749054571 WHCFOTFQWMZNIO-LVCYWYKZSA-N 452.625 1.237 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1 1749129084 AMYVQDKSFKRMPL-OTWHNJEPSA-N 451.593 1.220 30 10 JDEE 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C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[S@@](=O)CC)CC1 1760267020 RLLOHSAMOUTQAC-YTTGMZPUSA-N 491.639 1.083 30 10 JDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760313226 KXIJHROBVGYZOF-JYJNAYRXSA-N 497.394 1.677 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1760327463 HJDLDSDQEGEOSK-ZVVDCOBXSA-N 483.635 1.382 30 10 JDEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)COC)CC1 1760440484 KXXIRKQAQJLRKS-SFHVURJKSA-N 478.594 1.848 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1760510253 NZTFPDPUPPMHJG-VQTJNVASSA-N 466.652 1.745 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1760520584 SJTWCJPPTSNDKL-UHFFFAOYSA-N 464.567 1.637 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)N2CCCCC2)C1 1760542448 HOFJSWYYGRAJQD-PMACEKPBSA-N 496.678 1.657 30 10 JDEE Cc1nc(C)c(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)s1 1762247592 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C=CCN1C(=O)C(=Cc2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)SC1=S 2040498117 COWVYDDDDUICBT-UHFFFAOYSA-N 455.565 1.783 30 10 JDEE Cc1cc(S(=O)(=O)NCC(=O)NCc2ccccc2)sc1B1OC(C)(C)C(C)(C)O1 2247950813 GPARZSJIIHMWKO-UHFFFAOYSA-N 450.391 1.950 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1 2255646441 WASGPUZWOKEREM-CYBMUJFWSA-N 453.370 1.496 30 10 JDEE C[C@H](CN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)NC(=O)OC(C)(C)C 2255751800 DBVVLMHTXMRYFJ-CYBMUJFWSA-N 458.390 1.253 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CC[C@H]1NC(=O)OC(C)(C)C 2255752727 KYTNWDRCQXMELC-OLZOCXBDSA-N 456.374 1.053 30 10 JDEE CC1(C)OB(c2cnc(C(=O)N3C[C@H]4C[C@H]3[C@H]4NC(=O)OCc3ccccc3)nc2)OC1(C)C 2255844267 UFFNUISGAPODSK-NEWSRXKRSA-N 464.331 1.915 30 10 JDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1 2267094707 AHVMMHWGDRJIOS-WTOQYCPUSA-N 454.373 1.973 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@H]12 2267170213 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C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 1286778837 KBIZLVWGMCHKCX-UHFFFAOYSA-N 467.574 1.545 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(=O)NCCC)C1 1286787755 ZTQGOORVYCXFCD-KRWDZBQOSA-N 492.584 1.237 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1286788220 SDYQJXWAZOCQNG-WBVHZDCISA-N 494.522 1.910 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCCS1(=O)=O 1300284460 SGXMQZZSHAZWSC-QFBILLFUSA-N 479.628 1.621 30 10 JDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1cccc(C(N)=O)c1 1300459875 JUNNRGYXAMUZKB-UHFFFAOYSA-N 451.556 1.649 30 10 JDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)Cc1cccc(F)c1 1300473241 QTOWWWSKCKBFAH-UHFFFAOYSA-N 454.531 1.837 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300504671 PYWRYRIALKDJAD-XXBNENTESA-N 469.567 1.516 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1300780491 REBXIQUCGUGRES-SFYKDHMMSA-N 490.630 1.855 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccnc2OCC)CC1 1301125637 PONJWKYASKEPHX-IBGZPJMESA-N 476.603 1.855 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(NC(=O)COC)CC1 1301491493 KQOXLKCZRVECHT-UHFFFAOYSA-N 463.542 1.527 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](NC(=O)OCC)C1 1301506453 LSOMTEIQAFAYLR-SFHVURJKSA-N 456.547 1.895 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1301578052 QTPBGSTZHLKBIY-SFHVURJKSA-N 463.585 1.431 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1301596785 YRDLOKPPLNSYAQ-UTKZUKDTSA-N 464.592 1.258 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCC(F)(F)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1302993574 DZYSNEWMIYCNCH-IBGZPJMESA-N 467.498 1.514 30 10 JDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@H]3CCN(c4ccccc4Cl)C3=O)CC2)o1 1307469059 GSCKWRVWLIHLOA-IBGZPJMESA-N 456.934 1.894 30 10 JDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCN(CC(=O)N4CCCCC4)CC3)C2=O)cc1 1312484801 BGVFJKIJNOMBTB-OAQYLSRUSA-N 452.559 1.393 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1358913596 RVPRUKXEUWOUSB-YPAWHYETSA-N 476.691 1.979 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCN(C)CC(F)(F)F)CC1 1359035652 AERCAKJMRBKMFZ-UHFFFAOYSA-N 491.566 1.701 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)CCC)CC1 1359035849 GKNYXXVKTMKGLY-DVECYGJZSA-N 476.622 1.893 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1359044639 KWGGIGKUMYRNFW-LJQANCHMSA-N 477.631 1.495 30 10 JDEE C=C(C)COCCn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359136049 XSJASMDYZZTSTR-HXUWFJFHSA-N 452.559 1.193 30 10 JDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1359213791 GXIHLJGUSXBKJT-UHFFFAOYSA-N 451.531 1.453 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1359302335 CTOLOWNEPQFTLS-GOSISDBHSA-N 453.591 1.943 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCS(=O)(=O)N(C)C)C1 1359320159 MOZYBBVURVIAJR-OAHLLOKOSA-N 473.559 1.267 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1359327055 QSYQVACGJFDCEZ-OALUTQOASA-N 466.652 1.525 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(F)(F)F 1359328808 OUWUHPIZZLWCIA-UHFFFAOYSA-N 466.507 1.948 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1359332452 YEWLFTCXITUGDM-SFHVURJKSA-N 487.561 1.167 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCNC2=O)CC1 1359336765 BBVYWHOKAAOMRB-HNNXBMFYSA-N 471.653 1.192 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)CC1 1360298596 CEDLKLUOEJHPQI-QHCPKHFHSA-N 469.615 1.331 30 10 JDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN(CC[S@](C)=O)CC1 1444481450 DTLKGQWEZBYFDY-MHZLTWQESA-N 458.378 1.621 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)N4CCCC4)n3C[C@@](C)(O)C(C)C)CC2)c1C#N 1492726972 CURPKUGVUKIGEO-HSZRJFAPSA-N 469.594 1.161 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCS(=O)(=O)C2)c1 1507551674 YHJPXICUQYHCNP-RTBURBONSA-N 471.583 1.663 30 10 JDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507580225 WLVRMBFKFHYZLR-UHFFFAOYSA-N 452.559 1.776 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1507630734 GOWKCJFESGZGJI-IBGZPJMESA-N 454.556 1.693 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(S(C)(=O)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1507632417 KULRJDNTNAQDAY-IAGOWNOFSA-N 470.617 1.114 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1507634372 NAZOQKFNVNFITM-RTBURBONSA-N 464.975 1.564 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1507639358 XKNXBNMMSUBXLQ-WHZJULEDSA-N 478.615 1.610 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1507640383 RFNHWEZZQPBKDS-AUSIDOKSSA-N 474.583 1.332 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1507640968 XCQVBXBZDQOPCJ-SFHVURJKSA-N 480.612 1.227 30 10 JDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1507751393 NSVUJCVLDBYIQF-HXUWFJFHSA-N 462.664 1.919 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 1507751837 RUKKYVPMXNOOIV-OPAMFIHVSA-N 478.619 1.655 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1507805678 NHXLTCCYLJYWBT-RRQVMCLOSA-N 453.609 1.588 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1507844645 MTUWVUGDDMPOQK-SFHVURJKSA-N 466.608 1.111 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCN1CCOCC1 1507855684 AKVFRKYZGXQSAD-UHFFFAOYSA-N 469.011 1.716 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCSC1 1508040571 ZGLBNEBWOKMWPJ-IRXDYDNUSA-N 459.638 1.393 30 10 JDEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1508062085 LEUFQUDFISATPG-UHFFFAOYSA-N 494.600 1.942 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1508141832 PBYMGIHTCBCGQY-GOSISDBHSA-N 465.620 1.754 30 10 JDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(OCC(=O)N(C)C)c1 1509637048 DERYUYHEBNSXPY-QFIPXVFZSA-N 457.510 1.374 30 10 JDEE CS(=O)(=O)N1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C#N)CC2)C1 1519528719 FESNMMLKZQVFPG-IBGZPJMESA-N 469.571 1.750 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(F)(F)F)c1 1539043574 RJINKTSOTSELBF-CQSZACIVSA-N 455.462 1.799 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1539072269 OJRGJOXAQFKJDR-SFHVURJKSA-N 495.650 1.045 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539220296 HZMCEABEMVMMDV-WOJBJXKFSA-N 476.624 1.440 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccccc1CC)[C@@H]1CCS(=O)(=O)C1 1539231245 UEQMIZTUXYOMDU-HXUWFJFHSA-N 455.584 1.638 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCOCC1 1539385080 WIDBNVLXIPGWCT-SFHVURJKSA-N 492.621 1.778 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cc3ccccc3[nH]2)CC1 1539432311 ZUVZFRAAKGBNSW-QGZVFWFLSA-N 455.588 1.368 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1539446748 IEGDLIOWZRWPCP-GOSISDBHSA-N 460.579 1.569 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)OC(C)(C)C)CC1 1539467290 QTTZHPFTKXRGMP-UHFFFAOYSA-N 473.578 1.005 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1539470143 KUPJKHSTOFHORL-WAIKUNEKSA-N 468.514 1.359 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1c1cc(NC)ncn1 1539538630 KGGRMXZNVHQMDM-DRSNIGMVSA-N 487.634 1.381 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)CC1 1539616318 POBLJCDGLVGVQB-LNLFQRSKSA-N 452.625 1.544 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)(C)C)CC1 1540037220 FDMWLLIQBVNPLD-LJQANCHMSA-N 484.667 1.514 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1540863065 OOLVYGJHYIOLLR-KSFYIVLOSA-N 477.562 1.874 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1540866964 GSGRQZZNMRSUNF-UHFFFAOYSA-N 497.600 1.992 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1540876362 OWOOQQUPHHRYRL-DVECYGJZSA-N 489.621 1.203 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1540900223 ONCDGGVJJUWBAI-GOSISDBHSA-N 470.555 1.045 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1540903355 DEPVXUFEJPMJCD-MOPGFXCFSA-N 496.659 1.436 30 10 JDEE CCCS(=O)(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)[C@H](C(=O)NCCOC)C1 1548367869 SPFRGOXMLFHTPO-KRWDZBQOSA-N 462.494 1.570 30 10 JDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 1561149528 YWJPPIFADFOCHM-ZWKOTPCHSA-N 458.989 1.397 30 10 JDEE C=CCC1(NC(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)CCCC1 1564441956 ZLEZMQIHEDHKSO-UHFFFAOYSA-N 459.590 1.979 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOc1cccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1588055355 VOGLWXAGDLQSNT-HZPDHXFCSA-N 499.515 1.902 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cccnc1OC 1588099139 HPXQUGWQQWAIKR-UHFFFAOYSA-N 464.551 1.720 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1c(CC)nn(C)c1OC 1588138629 GVLRAMMCAALSCB-UHFFFAOYSA-N 473.585 1.878 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCc1ccco1 1588218882 GLKNXYMKGWXWPI-UHFFFAOYSA-N 455.478 1.966 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1588619825 GQAQEQNAEAHRHA-RBUKOAKNSA-N 460.604 1.574 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)c2cccs2)CC1 1594096818 ISEMTSDXYVGWII-OXQOHEQNSA-N 467.617 1.737 30 10 JDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1594803200 OCWLVEVGOGILLE-SIKLNZKXSA-N 453.591 1.922 30 10 JDEE CN(C)C(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1617599098 BLJSYIILVIVMOV-NRFANRHFSA-N 451.575 1.844 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccs1 1619912477 DSQZUOWOBRILRQ-KXBFYZLASA-N 453.590 1.516 30 10 JDEE CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NS(=O)(=O)c1cc(Br)ccc1C#N)C2 1622113657 DVMKTVAYRPGYTD-HOTGVXAUSA-N 455.378 1.683 30 10 JDEE C=C(C)C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl)C(=O)OC 1632084777 FOVICFWODZRGRG-GOSISDBHSA-N 457.980 1.904 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(C)nc3c2cnn3Cc2cccs2)CC1 1632623378 BZWLXYNQUXUASA-UHFFFAOYSA-N 450.568 1.747 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2NC(=O)OCc2ccccc2)CC1 1650846445 XOGDIYQNUKVERA-UHFFFAOYSA-N 456.524 1.661 30 10 JDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCC[C@@H]2C(=O)N2CCOCC2)CC1 1652437382 GXWHIYGRLJVOQN-YADHBBJMSA-N 457.550 1.248 30 10 JDEE C#CCN(CC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21)C(=O)OC(C)(C)C 1653118150 POIMZIPIAFMBNJ-CVEARBPZSA-N 471.576 1.102 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCNS(=O)(=O)CC 1689847918 LEJIZAVQHGMSBG-INIZCTEOSA-N 471.587 1.462 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1689873863 ZUGVCSIOEMOMBY-HSZRJFAPSA-N 499.618 1.536 30 10 JDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(Cc2ccccc2)CC1 1689944170 LXBMEGYMIGNILB-UHFFFAOYSA-N 458.570 1.813 30 10 JDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 1689963957 BKDZAFSXJAQZNR-NRFANRHFSA-N 465.650 1.795 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1689993947 OCQORCFEOVJDOH-BJLXPSRBSA-N 481.669 1.562 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1689997075 VKDBTCLBRVRNKB-KRWDZBQOSA-N 477.537 1.548 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@H](CO)O1 1690108019 MLZSCPABXPNPOI-ZSYWTGECSA-N 463.579 1.675 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1690132135 ITFYKCODFUNMAY-JOCHJYFZSA-N 489.418 1.441 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1690133501 JQQZDBKOUJILRS-QFIPXVFZSA-N 481.645 1.647 30 10 JDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690161612 KVVHPQZZUXQISD-LJQANCHMSA-N 463.567 1.950 30 10 JDEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690233675 OGCRLRXJMFUCBN-ZDUSSCGKSA-N 479.310 1.052 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1690659519 VMBCMRGUIPSWGY-UHFFFAOYSA-N 480.495 1.870 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1690661670 CUMYTXVDYRMHEH-UHFFFAOYSA-N 480.525 1.820 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@H](COC)C1 1690720956 VZQIODLQVQTBCA-GOSISDBHSA-N 457.556 1.946 30 10 JDEE CN(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccco1 1696600996 BAIPISQBODSBBD-FQEVSTJZSA-N 499.597 1.706 30 10 JDEE COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCOCC2)CC1=O 1698077792 DJMVEYZUEVCDFA-LJQANCHMSA-N 454.531 1.450 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1705565507 IRIZICWCGSIADT-NJYVYQBISA-N 479.647 1.503 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CCCCC1 1705628782 OYQYGSJIOMFXBX-FQEVSTJZSA-N 479.647 1.301 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)s2)CC1 1705644749 AUZLTRCIFZZWHP-HNNXBMFYSA-N 464.617 1.272 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1705656126 VBUTUKCYLLMDBM-NRFANRHFSA-N 459.597 1.574 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccs1)C1CC1 1705903999 BKXVGIJXXFXJFN-KRWDZBQOSA-N 480.616 1.144 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](NC(C)=O)C1 1705936321 OCYCVGXOTLKRNH-YLJYHZDGSA-N 475.571 1.496 30 10 JDEE CC(=O)N1CCN(CCn2c(CC(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)CC1 1706005103 JKGKAMPGHDSVOJ-UHFFFAOYSA-N 465.606 1.234 30 10 JDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1706238078 GRHWYCWMFRXLSF-FQEVSTJZSA-N 451.575 1.747 30 10 JDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1711302140 DZUVPPIQSUWFAE-SJLPKXTDSA-N 453.547 1.130 30 10 JDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1712320045 CEVTZGNJZNYQBF-KKSFZXQISA-N 462.576 1.074 30 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C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1740782937 YTZIXTNHGFUKGP-INIZCTEOSA-N 470.596 1.244 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1740954633 CRGUTNZFDPSOFQ-UHFFFAOYSA-N 473.585 1.792 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1740963640 RNOVCCJMRKBUPC-UHFFFAOYSA-N 492.584 1.901 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1740992256 NQSFINFQFSVIJG-GOSISDBHSA-N 480.660 1.860 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCCN(C(C)=O)CC1 1740992979 QVRFGWXKKNVNQE-UHFFFAOYSA-N 461.588 1.537 30 10 JDEE C=CCSCCn1c(C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1740996050 DZSDKEQOSUCJSK-OWCLPIDISA-N 457.622 1.632 30 10 JDEE CCN1CCN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NC(C)=O)CC2)CC1 1746469370 CMENPSBMWYPNEF-UHFFFAOYSA-N 494.644 1.861 30 10 JDEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)CC1 1748718077 NGHHTTKSZBXUEM-QGZVFWFLSA-N 451.593 1.959 30 10 JDEE 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30 10 JDEE C=CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCC(F)F)C1CC1 1749515883 HUMAHSKGVKPVIB-UHFFFAOYSA-N 453.519 1.774 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CC(C)C)c1C)C1CC1 1749520129 ZXFCCCYLHHCZMG-FQEVSTJZSA-N 477.635 1.975 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1749664371 LNVCANWKJYGKSZ-UHFFFAOYSA-N 453.572 1.918 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1749738600 RNEUZUOWDCILCA-GOSISDBHSA-N 475.619 1.236 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C 1749740496 FPDAHHPYBVRALQ-IRXDYDNUSA-N 496.634 1.618 30 10 JDEE CC(=O)N1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)C1 1749816109 AAVWADXNVRTXTA-FQEVSTJZSA-N 499.641 1.935 30 10 JDEE CC(=O)N1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)C1 1749816515 DFRVBFYHNJRPKE-QFBILLFUSA-N 458.588 1.945 30 10 JDEE COCCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cc(C)nn1C 1749824321 FYUCQJVRKKATCJ-UHFFFAOYSA-N 457.560 1.805 30 10 JDEE Cc1n[nH]cc1CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1751342301 HNEPMBUDIGIWOP-OAQYLSRUSA-N 498.613 1.783 30 10 JDEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1760190000 NOMYOHSBFACOEE-CYFREDJKSA-N 485.610 1.764 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)NC(=O)OC(C)(C)C 1760209701 HBZQZYJLQFAUIF-CVEARBPZSA-N 452.581 1.264 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)CCCC)CC1 1760402141 HIVGLCDUIUNBAB-LJQANCHMSA-N 454.641 1.745 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1760431925 CMSFSHZNFFYYIB-ZCNNSNEGSA-N 495.694 1.481 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C2OCCO2)c1 1760504889 FFEAZCIGRPFNTK-IBGZPJMESA-N 462.572 1.913 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(F)c1 1760505043 IXXGPYLYZYQZLK-SFHVURJKSA-N 471.530 1.576 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1760510343 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C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286822429 JXCMOTBWRWYYSE-GOSISDBHSA-N 492.627 1.298 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)NC(C)(C)C)CC1 1286892426 VTTUAZVVSMZFLP-UHFFFAOYSA-N 466.590 1.332 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC2(S(C)(=O)=O)CC2)c1 1300333547 AAGYWCUFUQARSK-GOSISDBHSA-N 471.583 1.806 30 10 JDEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1300341137 DEWMXPOQYXBFPR-KRWDZBQOSA-N 478.644 1.973 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1300481724 BSHQDLRAFNMTLJ-PZJWPPBQSA-N 485.610 1.839 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1300488370 DGBQIWXLWQHHCS-SJLPKXTDSA-N 463.007 1.962 30 10 JDEE C#CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1300495851 KCLXIRMLSUEQJX-BSDSXHPESA-N 497.593 1.744 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300497529 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30 10 JDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1359052825 RCUBRIDSNGVRMF-KRWDZBQOSA-N 491.639 1.848 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359098279 ZLDBQGIZWIMRHJ-AYBZRNKSSA-N 466.608 1.071 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1359215724 IEJDDIUCFHOWPK-RBUKOAKNSA-N 490.634 1.472 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1359298926 PNFDINBONPRZRK-OAHLLOKOSA-N 487.561 1.754 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)N2CCCC2)CC1 1359304064 KDGPOHRIIWCUHT-UHFFFAOYSA-N 454.579 1.281 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCS(=O)(=O)CC1 1359330649 YJPQIIZWULPZTC-UHFFFAOYSA-N 489.417 1.543 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1359343655 XZXMWKBANVBBOC-SFHVURJKSA-N 482.676 1.827 30 10 JDEE C[C@H](CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1441657051 IFLXZJSRUJXJBO-QGZVFWFLSA-N 453.568 1.966 30 10 JDEE C[C@H]1CN(Cc2ccc(CNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)cc2)C[C@@H](C)O1 1457529865 AFPGJNHOXCFEPA-HDICACEKSA-N 456.568 1.762 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCC(NC(=O)N3CCOCC3)CC2)cc1Br 1475434599 AMDPJAMOWFESJK-UHFFFAOYSA-N 457.350 1.516 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507631089 BFSOPNNQPDNEGJ-CTNGQTDRSA-N 457.600 1.935 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 1507639091 VPWGBBNROCDGQT-ACRUOGEOSA-N 493.674 1.893 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2=CCCOC2)n1 1507716077 GMMWIZHRDWTKFE-IBGZPJMESA-N 474.587 1.010 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1507733564 CXBCENKDHMACQO-XDHUDOTRSA-N 458.607 1.713 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)CN2CCOCC2)CC1 1507740591 VPCZOBOHHHMQAS-HXUWFJFHSA-N 465.602 1.198 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(=O)N1 1508003272 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C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1539201723 CIFGASDKUUBEPD-NLWGTHIKSA-N 484.582 1.533 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1539206817 WDHSOLCBALPJGY-XXBNENTESA-N 480.631 1.906 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cc(Br)c[nH]3)n2Cc2nncn2C)n1 1539424209 ODCIQQHYCMKSRA-UHFFFAOYSA-N 499.377 1.695 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2CCOCC2)CC1 1539516815 DLMLLISJGVQTBF-IBGZPJMESA-N 467.661 1.095 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](COC)C1 1539631770 NNURGLBUGXPUCY-NCYKPQTJSA-N 497.662 1.845 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1540854913 NKJXQTJBQFVGMD-UHFFFAOYSA-N 482.632 1.147 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1540861877 JTAIWHLIROUJRU-HNNXBMFYSA-N 468.543 1.570 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1540864346 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1595517456 YYZIPHVYDUYPIY-OAHLLOKOSA-N 466.995 1.666 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](OC)C(C)(C)C1 1595536523 CKHOZAWSVRJRGE-KRWDZBQOSA-N 451.531 1.355 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H]2c2cnn(C)c2)nnc1[C@]1(OC(C)C)CCOC1 1595830601 DLEGJZSZCBISPG-UGKGYDQZSA-N 478.619 1.995 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1595838103 KTXCACYOIGLMCM-KRWDZBQOSA-N 484.586 1.611 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1N(C)CCCC1(C)C 1596831024 HOMWIYNHJMOHPU-KZNAEPCWSA-N 467.640 1.327 30 10 JDEE C=CCN(Cc1cc(Br)ccc1F)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 1615387511 JGKSDEDJEYASTK-NSHDSACASA-N 453.312 1.827 30 10 JDEE Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1635209386 DCZDZEAMBPYSTL-SFHVURJKSA-N 456.524 1.672 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)cc1 1636100168 XNFJVRAPBRCOGQ-MSOLQXFVSA-N 451.545 1.661 30 10 JDEE C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 1643150648 KBNVULRYJVUQJQ-QUCCMNQESA-N 467.588 1.756 30 10 JDEE C#CCNS(=O)(=O)N1CCN(CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)CC1 1654022698 QTHAPFMAKCXCLP-HSZRJFAPSA-N 458.559 1.459 30 10 JDEE Cc1nsc(N2CCN(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1C#N 1662265556 DLJXYWOCJIOZIX-UHFFFAOYSA-N 456.594 1.243 30 10 JDEE CNS(=O)(=O)c1ccc([C@H](C)NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1682910820 FZVFPGOUCKAJIT-MGPUTAFESA-N 455.540 1.628 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)nn(-c2ccccc2)c1C 1689852444 FHKUFFMPUDJVJD-VGSWGCGISA-N 497.625 1.920 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CCc2cccs2)CC1 1689913641 RZWHWTPKGHNTRE-KRWDZBQOSA-N 450.634 1.728 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1689988569 RTOKTVAXMYGXGD-VQTJNVASSA-N 472.546 1.832 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1689993624 IOMUCIRAVHLPCR-PXNSSMCTSA-N 467.617 1.048 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1689994187 SSXMTHHOLGZEGX-PGRDOPGGSA-N 471.608 1.860 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1689996609 KPCYWDDSHIANTL-GOSISDBHSA-N 469.571 1.452 30 10 JDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCNC(=O)Cc1cccc(F)c1 1690052968 VNHJUGOZSNPLGS-UHFFFAOYSA-N 450.518 1.361 30 10 JDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690061179 SKVZZDPBLVPPNT-IPJJNNNSSA-N 465.620 1.594 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@](C)(O)C2CC2)CC1 1690124797 URAWSPXVMOURAP-CYFREDJKSA-N 474.606 1.503 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1690299115 FTCLZMSHLZTDHT-UHFFFAOYSA-N 481.601 1.868 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(CC)noc1C)C1CC1 1690545273 MXSGSNPIUFTEJE-SFHVURJKSA-N 450.565 1.673 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1690668060 RAJKMSMQCUQEAV-KRWDZBQOSA-N 452.515 1.657 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 1690686839 UXVNWJDTQLKDRX-QFBILLFUSA-N 491.618 1.811 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CCOC1 1690723003 DXGAHHFFXAGZJT-INIZCTEOSA-N 472.571 1.266 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)OC)CC1 1690729823 SSMCWKZJHQRDHP-UHFFFAOYSA-N 467.523 1.485 30 10 JDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1690742348 NPCYDIHMDAWLBA-WOJBJXKFSA-N 477.679 1.380 30 10 JDEE Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CCNS(C)(=O)=O)C2)n1 1693432327 GJEGXUOQDMUEGA-LJQANCHMSA-N 483.602 1.491 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1696487933 GVBMYBNZPHGYIZ-UHFFFAOYSA-N 495.613 1.605 30 10 JDEE COC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)OC 1697762316 HSUXGNFIPOPARH-LEWJYISDSA-N 467.574 1.475 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CCc2n[nH]c(C)n2)c1 1705504040 LGKAWAQYLRVDQD-DEOSSOPVSA-N 478.557 1.656 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1705517387 UVWJLBMFWFDCKV-MANSERQUSA-N 451.593 1.133 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OC(C)(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1705567396 XTHGQDFLZDKLKN-GOSISDBHSA-N 481.582 1.982 30 10 JDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@](C)(O)[C@H](C)CC)CC1 1705638269 FEKDMWRHMBXXNV-JPYJTQIMSA-N 473.647 1.791 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1705648279 VBZFWOQIQNUGQB-QUCCMNQESA-N 469.634 1.706 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C(C)(C)C1 1705662341 WMERCHLUVPMART-IRXDYDNUSA-N 455.650 1.850 30 10 JDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1705805318 DQCFGMIAIIDRJL-FQEVSTJZSA-N 478.663 1.671 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1705895701 PNEJWNBLMAZZCY-NWDGAFQWSA-N 473.397 1.596 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CCCO2)CC1 1705936782 YITNZMHNPOOPLH-MSOLQXFVSA-N 472.633 1.176 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(CO)CC2)cc1 1722276821 KDJBMLJEPVNVFZ-QZTJIDSGSA-N 474.631 1.603 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1722333784 ZLDNOCMAHJDZSC-GHTZIAJQSA-N 490.605 1.879 30 10 JDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCN(C)C(C)(C)C1 1722343077 GBJPSKLKSKMRJI-UHFFFAOYSA-N 472.663 1.642 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1722365570 FREMITDBQJBVQI-MOPGFXCFSA-N 474.583 1.864 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722370360 BQRSLNYMFOLDJB-QZTJIDSGSA-N 489.564 1.511 30 10 JDEE C#CCN(CC)c1nnc(COc2ccccc2F)n1CCS(=O)(=O)N1CCSCC1 1722415233 KDJJRFJZUJMPOB-UHFFFAOYSA-N 467.592 1.834 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)N(CC)CC)CC1 1722433809 HBIQWVMNCNJZMJ-IBGZPJMESA-N 458.632 1.834 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C2CC2)CC1 1722443441 JEGRKJLUVYOIJU-UHFFFAOYSA-N 456.572 1.496 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCCN2CCC[C@@H]2CO)CC1 1722445663 ACEHOEMQCAVKNR-JOCHJYFZSA-N 479.629 1.851 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1722449686 XQBFLKVABKMDEB-OAQYLSRUSA-N 463.586 1.488 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CCSC2)CC1 1722450456 JJDFJZBOEWKWIW-QHCPKHFHSA-N 473.574 1.830 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1722523164 DKMVIPSHWAVGCW-LJQANCHMSA-N 476.603 1.938 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC(C)(C)C1)C1CC1 1722650625 HBUDNHRNWHWUOT-LJQANCHMSA-N 466.652 1.888 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)Cc1ccccc1 1722866367 AVQCBEYHNOHZKP-SJLPKXTDSA-N 465.601 1.391 30 10 JDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)CN2CCOCC2)C[C@@H]1C 1730788320 FHIUKWVBKIBXEC-SFTDATJTSA-N 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1.127 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC2(CCC2)C1 1740953949 WVJJYIBDVIDJFU-UHFFFAOYSA-N 458.588 1.878 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1740963544 ODEQIVJMPUYTBA-UHFFFAOYSA-N 459.938 1.431 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccccc1 1740991634 ATNZBZLWGCKTBS-SJLPKXTDSA-N 452.602 1.978 30 10 JDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740995393 KBCBPFHAFLDLQD-INIZCTEOSA-N 456.638 1.340 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCCCCO)C[C@H]2C)CC1 1741058031 DCSDZKLLHAKMEU-HYBUGGRVSA-N 495.628 1.880 30 10 JDEE CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1741276537 GRAKANNKCJDTIC-UHFFFAOYSA-N 459.501 1.939 30 10 JDEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1743888981 BUMLGLCVMYFHMI-INIZCTEOSA-N 473.603 1.640 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1748717643 FGHGXJLHHNRQJN-HXUWFJFHSA-N 473.647 1.656 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(COC)c1 1748789764 CDDBNNXRRVMHHY-SFHVURJKSA-N 451.524 1.014 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCN1CCOC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1748809406 MNXLDOYRLHMBIJ-SFHVURJKSA-N 475.590 1.822 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1748821304 OWILPFQCTXITIB-NRFANRHFSA-N 484.626 1.336 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCS(=O)(=O)C1 1748858110 MPOISQVLOSOHDH-OALUTQOASA-N 491.614 1.484 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(=O)NCC=C)CC1 1749003366 HCYPNSQFOVCDLB-UHFFFAOYSA-N 485.386 1.976 30 10 JDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1749032601 MYRYEFUPRCZXRU-UHFFFAOYSA-N 453.616 1.759 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1749119676 VNDUKIKGVJLMIC-LFGUQSLTSA-N 493.634 1.664 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@H]2C1)C(C)C 1749557056 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C#CCN(c1nnc(COc2ccccc2OC)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1760193179 VXHACRXADJYDFI-KRWDZBQOSA-N 475.571 1.017 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(CN(C)CC)c2)CC1 1760265214 RYBNLAXLWVWNEH-UHFFFAOYSA-N 479.629 1.882 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCS(=O)(=O)CC2CC2)CC1 1760267245 XCHNAMDADFMRBV-UHFFFAOYSA-N 459.572 1.637 30 10 JDEE C=C1CCN(c2nnc(COc3ccccc3OC)n2CC2(O)CCS(=O)(=O)CC2)CC1 1760393355 OENYHYBQANQKMK-UHFFFAOYSA-N 462.572 1.962 30 10 JDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1760507014 ZOSWZUPEZTXPLY-CQSZACIVSA-N 452.606 1.843 30 10 JDEE CNS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1767856173 ICAACKWHKYPHLY-UHFFFAOYSA-N 498.613 1.608 30 10 JDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)Oc3cccnc3NC(=O)N=c3nn[nH][nH]3)cc21 1858861123 MJTCVTKTURAWMB-LBPRGKRZSA-N 464.442 1.222 30 10 JDEE N#Cc1nnn(Cc2ccccc2Cl)c1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870110789 IQBGYXHXOFMARF-UHFFFAOYSA-N 465.813 1.994 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](O)C1 2197486621 FCBOIXUXLQQUNC-HXOBKFHXSA-N 462.352 1.657 30 10 JDEE CC1(C)OB(c2c[nH]nc2C(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)OC1(C)C 2255629815 BFKCFTGIVRFAPN-KRWDZBQOSA-N 470.335 1.476 30 10 JDEE CO[C@@H](CCNC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256622323 FZQBMOKPNYLIDJ-ZDUSSCGKSA-N 455.386 1.988 30 10 JDEE C[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCN1Cc1ccccc1 2267368607 LMAUTQPIHYTOGT-QGZVFWFLSA-N 460.409 1.614 30 10 JDEE Cn1ncc(C(=O)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267509896 CCGYNFOVSHBXMW-CQSZACIVSA-N 450.345 1.085 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H](O)C1 2268711564 SOIFUKCGBRWIBZ-FKIZINRSSA-N 469.369 1.114 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2COC[C@H]2CNC(=O)OC(C)(C)C)n1 2281997158 YBSLUGPCZAYFDI-ZBFHGGJFSA-N 464.372 1.472 30 10 JDEE CC(C)(C)OC(=O)NC1(CO)CCN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282104099 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10 JDEE C#Cc1ccc(NC(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)cc1 1220350348 AAHFTIQIMQRABK-UHFFFAOYSA-N 451.526 1.594 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286386957 KOBPOFSEILFZBH-PNLZDCPESA-N 460.556 1.120 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1286392852 HQWIHAPDUUTUOE-SFHVURJKSA-N 468.576 1.069 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(OC(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1286393335 DNLFCDQZHXQYMF-IBGZPJMESA-N 486.598 1.258 30 10 JDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286507451 IMRLUOOCSCIGJF-MRXNPFEDSA-N 454.647 1.518 30 10 JDEE C#CCSCCn1c(N2CCN(c3ccnc(C)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1286513653 XHFXMCOZVRVEAA-JOCHJYFZSA-N 457.604 1.722 30 10 JDEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C(N)=O)C1 1286530900 GAZZZCIPPDLJFU-CYBMUJFWSA-N 454.350 1.569 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)C1 1286545706 ALADYWJJPFZCKO-APWZRJJASA-N 458.950 1.779 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1286592442 FUNDKAHGRIUTPE-HXUWFJFHSA-N 489.577 1.524 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286699633 GAAGXCZBRGNBHL-OALUTQOASA-N 495.650 1.159 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1286700202 KVWQYUSQRKDLHG-LJQANCHMSA-N 480.635 1.559 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286784742 RZUZEHLBKNBODV-CVDCTZTESA-N 490.612 1.498 30 10 JDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1)N(C)C 1288606691 GLOLHPNXUMXEEO-QGZVFWFLSA-N 484.586 1.407 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)Cc1ccccc1 1300464337 BJUMXVSHCPJHSR-UYAOXDASSA-N 460.604 1.201 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1300483517 KUBLSZFACKEDSR-HOTGVXAUSA-N 457.622 1.095 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300501360 KMAQQSMJKFOVJH-FQEVSTJZSA-N 458.584 1.953 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc2c(c1)OCO2 1300577923 FPMAKERQCKYLNZ-KRWDZBQOSA-N 456.524 1.451 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1300663727 HRVWPRYLICNSEQ-UNMCSNQZSA-N 465.602 1.526 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1300712925 YHBAUMGKOPETQO-UHFFFAOYSA-N 466.586 1.883 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1300951964 BTFOVUNZQSIEGY-QYZOEREBSA-N 482.651 1.708 30 10 JDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1301185810 KZWGWTGVOVRKCX-QGZVFWFLSA-N 476.607 1.138 30 10 JDEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1301207928 IZFFLWGZAQKUGB-UHFFFAOYSA-N 466.586 1.981 30 10 JDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1301252287 MTPHSLNTNTVOSP-JBACZVJFSA-N 473.622 1.201 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCc2ccccc2C1 1301298069 YCJAYHFOQKHOTE-RXVVDRJESA-N 474.631 1.680 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](NC(C)=O)C1 1301482811 CKWJMDSZTYIGPX-OAHLLOKOSA-N 464.368 1.453 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1301578756 HWYYQWDYVQMVGI-WOJBJXKFSA-N 488.662 1.331 30 10 JDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1301617490 FKFQGXXZTHTUIV-AZUAARDMSA-N 475.663 1.309 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1303410973 CPABUVXALXTRPY-RXVVDRJESA-N 467.574 1.414 30 10 JDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCN2CCCS2(=O)=O)CCO1 1316538062 GPPIVCFFYCAFIE-GFCCVEGCSA-N 487.405 1.533 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1358913689 VRHNUALZZWWKKT-OWCLPIDISA-N 479.525 1.571 30 10 JDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1358917909 FSONJWANNKWRBE-SFTDATJTSA-N 459.591 1.881 30 10 JDEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1358923287 IXTQHZFXFYDLNJ-NRFANRHFSA-N 468.583 1.861 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1358966889 ZAFRAQDBJLRWQC-NNMXDRDESA-N 477.631 1.478 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1358967615 NZROSGWQHPOCJI-ICSRJNTNSA-N 495.001 1.943 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCOC[C@@H]1OC 1358968637 TVCPUQDFCMKLMA-ICSRJNTNSA-N 455.946 1.986 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCSc2ccccc2)CC1 1359029157 QDSPZISVAQCFJC-SFHVURJKSA-N 462.645 1.826 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCS(C)(=O)=O)CC1 1359034535 UPKKUXIBKZIHLL-UHFFFAOYSA-N 453.572 1.321 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCC(F)(F)F)CC1 1359035808 FAQDQMSHFVZFLU-AWEZNQCLSA-N 451.540 1.231 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC2(S(C)(=O)=O)CC2)CC1 1359047875 WUZILQHGVDJYML-UHFFFAOYSA-N 489.573 1.539 30 10 JDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1359051148 NDUWEHNHDZRYBI-UHFFFAOYSA-N 471.587 1.866 30 10 JDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOC)C(=O)C1 1359053050 ZQIWYSZMRMNAGF-UHFFFAOYSA-N 457.556 1.378 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCC1 1359070405 LZESPFKIYLMYAE-FXAWDEMLSA-N 451.593 1.562 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC)C1 1359099277 LULDJKUMQHRDTM-XWSJACJDSA-N 469.608 1.207 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1359121744 GWQOBXXFIDDJPU-HOTGVXAUSA-N 470.596 1.291 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOc2ccccc2)CC1 1359122108 YBSGGEPBUVQELE-NRFANRHFSA-N 490.630 1.388 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCCC1)C1CC1 1359251872 XTSNRHFIOWSUOX-LJQANCHMSA-N 452.625 1.642 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1359294352 REFVVUWOABBPTC-SFHVURJKSA-N 468.558 1.856 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC(=O)N1CCOCC1 1359329583 NXCOVMAFUOKHFH-UHFFFAOYSA-N 485.969 1.633 30 10 JDEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)CC1 1359426281 ATUKONZZRGDGAR-UHFFFAOYSA-N 456.572 1.746 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccnc(OC2CCOCC2)c1 1360671451 GIMTYLNVNDVKMX-INIZCTEOSA-N 489.602 1.629 30 10 JDEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CCOC)C(=O)C2)C1 1502961219 BRFOZMOBKIXOFF-UHFFFAOYSA-N 454.531 1.042 30 10 JDEE COc1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCNS(=O)(=O)Cc2ccon2)c1 1504333474 AOLFOFWZJOKFNV-UHFFFAOYSA-N 471.543 1.801 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC2(N3CCOCC3)CC2)c1 1507551777 HGAGYSQTLZXYOC-UHFFFAOYSA-N 452.559 1.736 30 10 JDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1507591605 MAPXETYKWNWOCP-FPOVZHCZSA-N 452.559 1.205 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(N(C)C)cc1C)[C@@H]1CCS(=O)(=O)C1 1507623499 YDBDUAOLEZAGIB-HXUWFJFHSA-N 472.615 1.466 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1507627258 DAGICNOZVYEWDC-QGZVFWFLSA-N 460.556 1.504 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1507634327 JTUYBUABJIABNJ-ROUUACIJSA-N 480.537 1.928 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507638062 CZRNMSHHNQUHOS-HXUWFJFHSA-N 485.610 1.627 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@](C)=O)CCC1 1507710834 WAMVOSTVGVVWRJ-XIFFEERXSA-N 468.583 1.579 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCOc3ccccc32)CC1 1507722369 VKAZHZMHKVDCPT-ZWKOTPCHSA-N 458.588 1.210 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2(O)CCN(C(C)C)CC2)CC1 1507737023 XXLTZAJULWLOMB-UHFFFAOYSA-N 467.618 1.485 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(O)CCN(C)C2)CC1 1507742250 DNBXDQZMEAMFLC-XMMPIXPASA-N 454.550 1.040 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1508136886 ISDAKKBRHAZXAE-UHFFFAOYSA-N 453.590 1.344 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1508137641 OTAHQBDUIGXDEW-UHFFFAOYSA-N 486.520 1.836 30 10 JDEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C[C@@H](C)O1 1514179941 HRHVLEWGPYVUOR-QUCCMNQESA-N 468.558 1.981 30 10 JDEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](COC)C1)S(C)(=O)=O 1515706093 HBCROHAHCJLHCL-IBGZPJMESA-N 462.576 1.340 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1539200796 OMYJAFPNMNNTHI-MRXNPFEDSA-N 493.536 1.498 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(OC)cc1F)[C@@H]1CCS(=O)(=O)C1 1539219780 FGEZCJWKKDMLLE-ZWKOTPCHSA-N 462.547 1.995 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1539231203 TZFDEZPHMVPDTR-AUSIDOKSSA-N 474.583 1.598 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1cc(C)oc1C 1539326111 RXLSAJQQTPPCME-REWPJTCUSA-N 489.598 1.191 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCOCC1 1539412961 FPMKCRWCAGXLHU-NRFANRHFSA-N 452.559 1.196 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1539683300 MOOVMOHGXQTGLR-LBPRGKRZSA-N 452.503 1.359 30 10 JDEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539715679 HEZWJKJMRHUNSL-UHFFFAOYSA-N 451.531 1.879 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cc[nH]n1 1540146375 FCEWXESEFFGFOD-HNNXBMFYSA-N 475.600 1.587 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1540867049 ITQRDLYFJIYEGF-UHFFFAOYSA-N 473.541 1.553 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1540868130 SPFLKBBFHAPSIN-MRXNPFEDSA-N 459.551 1.316 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 1540877136 LSVYIKRPEORILL-OAQYLSRUSA-N 482.585 1.857 30 10 JDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCCN1CCN(c2ccncc2)CC1 1541103629 CZGNLVXOPPBHIQ-IBGZPJMESA-N 453.595 1.619 30 10 JDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1545145214 CTJAJVRSERAKFR-AOMKIAJQSA-N 474.587 1.217 30 10 JDEE COCCOCC(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@H]1C(N)=O 1548380402 YOKGFZNPCQSCJO-SFHVURJKSA-N 468.476 1.913 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC1 1554149849 AVTSXKARUDHROU-OALUTQOASA-N 460.560 1.156 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588049304 DXMBMDHZVRYWHB-IBGZPJMESA-N 472.615 1.386 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588049679 KVLXRDCPZRFRGO-LEWJYISDSA-N 467.599 1.608 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1588768657 JFUFIVCCILPICD-JOCHJYFZSA-N 467.574 1.965 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCOC1 1589544795 KCAFOFAYUWQMEJ-NMLBUPMWSA-N 483.635 1.455 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)COC)CC1 1589567075 ABQXWTJWRBTOEZ-SIKLNZKXSA-N 457.579 1.416 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(N3CCOCC3)CCSC2)CC1 1594192256 GLCJEIADDIHZGG-DYESRHJHSA-N 484.692 1.499 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)C[C@H]1C 1594626271 LQTBOKFVHAXRQS-AEFFLSMTSA-N 454.597 1.024 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1595476289 JIUFMGZJPSKDMZ-OAHLLOKOSA-N 485.520 1.380 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1595477481 VNOILIAMSUPEQP-DZKIICNBSA-N 468.605 1.218 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1595778363 YIPITJOQHPWUFZ-INIZCTEOSA-N 490.586 1.119 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1595796787 CDSIVQWXMNXDMR-KURKYZTESA-N 456.634 1.940 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1595844904 JJKHBIZCKHNAIZ-HOTGVXAUSA-N 472.681 1.939 30 10 JDEE CC[C@@H]1CCCCN1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1614139148 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C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1690658833 BARRNIIANNWJQU-MHECFPHRSA-N 468.558 1.834 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1690675198 RTHRLDPRXUJAJC-UHFFFAOYSA-N 481.561 1.137 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC([C@H]3CCCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1690731986 SYIVBYSUAKRVCS-DENIHFKCSA-N 468.620 1.926 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1691226667 AMWQQNRPXMIDDP-BBWFWOEESA-N 480.591 1.308 30 10 JDEE CCN(CC)CCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1695662179 BXGJNZBDRXRGKE-RTBURBONSA-N 453.595 1.891 30 10 JDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705525752 UESVOVPXPVNCTC-MRXNPFEDSA-N 464.617 1.583 30 10 JDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C(C)C)N1CCOCC1 1705546190 DBHRQHSTUWLDAP-IBGZPJMESA-N 473.647 1.973 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1C(F)(F)F 1705550903 AXCPEUWBUJXDBJ-MRXNPFEDSA-N 475.468 1.887 30 10 JDEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1705561588 RTKQDHVKODMBGU-MRXNPFEDSA-N 490.387 1.511 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1705562470 CVBOBFFPLCBSBN-UYAOXDASSA-N 487.607 1.268 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1705565999 LCCLWLQDTVECAH-USXIJHARSA-N 497.668 1.376 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCOc2ccc(F)cc2)CC1 1705644004 FLZUBXRTHFGULX-UHFFFAOYSA-N 470.549 1.990 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ncnn2C(C)(C)C)CC1 1705645240 OSNVQHVVFIDNNT-DEOSSOPVSA-N 484.605 1.291 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(N)=O)cc1 1705716364 IOKBQPWGAMBNAD-GOSISDBHSA-N 477.591 1.552 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1705725643 LSCIUHPRVDUWCO-PMACEKPBSA-N 472.571 1.637 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(=O)NC)CC1 1705792263 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C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn(C)nc1-c1ccccc1 1740553032 QLGUUNSIYCZFKA-XLIONFOSSA-N 483.598 1.518 30 10 JDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1740602507 VRJBDXWVCIJIHO-UHFFFAOYSA-N 470.331 1.369 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1740619982 BGAWIWHNMDUMNX-SFHVURJKSA-N 470.555 1.371 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC(=O)NC)CC1 1740707444 CDKRVKXEYCECPJ-SFHVURJKSA-N 487.605 1.452 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C(=O)NC)C2)cc1 1740966892 YOKRHSOXNIWMGU-IBGZPJMESA-N 454.531 1.078 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(CC2CCCCC2)CC1 1740994824 UMVPZLYTBPPZKR-UHFFFAOYSA-N 478.663 1.704 30 10 JDEE CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1743508853 GYVVRSMVRGPEJZ-UQBPGWFLSA-N 483.617 1.736 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1748639792 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498.565 1.419 30 10 JDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760170907 RAMDFIUONTXPFP-MRXNPFEDSA-N 469.571 1.026 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1760181511 WLRLJPVUJCHOQU-QGZVFWFLSA-N 476.509 1.955 30 10 JDEE C#CCN(c1nnc(COCC)n1CC(=O)N(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760192305 HMDMCBDWMXYIQD-GOSISDBHSA-N 451.593 1.232 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(N(C)C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1760192733 XMOVPCKMMJZWKD-SFHVURJKSA-N 488.589 1.281 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCOCCS(C)(=O)=O)CC1 1760258295 KBJJTMGPZHGVJK-UHFFFAOYSA-N 468.583 1.310 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1760259504 COZVKOHUUPRZCU-UHFFFAOYSA-N 451.556 1.105 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)Cc2ccc(F)cc2)CC1 1760262151 VCMUWQOCQMJEQF-HXUWFJFHSA-N 474.606 1.207 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](CC)OC)CC1 1760269570 LQPLMLHXYRRLJL-OAQYLSRUSA-N 480.617 1.843 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(C(N)=O)c2)CC1 1760271960 SWRXQYOPBMFZBF-UHFFFAOYSA-N 457.538 1.377 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1760273780 BEPAUVTZXXLWTE-INIZCTEOSA-N 493.615 1.490 30 10 JDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCCCO)C1CC1 1760306578 ISAICAFYCMUSRC-OAHLLOKOSA-N 478.413 1.261 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1760440502 LGPAPTMZXQUUDV-RTBURBONSA-N 479.607 1.372 30 10 JDEE C=CCN(C)c1nnc(COc2ccc(F)cc2)n1CCS(=O)(=O)N1CCSCC1 1760468047 FMJJGWITYJMHMC-UHFFFAOYSA-N 455.581 1.997 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(S(C)(=O)=O)CC1 1760514668 DGPZVUJFPFMZGV-UHFFFAOYSA-N 485.408 1.362 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1760515873 HHRSTOHUIHXQGV-JTQLQIEISA-N 481.526 1.302 30 10 JDEE C[C@](O)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)c1cccs1 1761511882 DOSZLWLUZIVUBW-JVPBZIDWSA-N 484.579 1.022 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccnc1N1CCOCC1 1764127235 FMFZNIXWIHJTCU-HSZRJFAPSA-N 470.553 1.918 30 10 JDEE CCOC(=O)N[C@H](CC(C)C)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OCC)CCOC1 1765724909 FDLIXFOKVWKGPQ-KGVIQGDOSA-N 464.567 1.820 30 10 JDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OC)nc2OC)CC1 1770676256 GULWJHGTKBBZDM-UHFFFAOYSA-N 477.525 1.572 30 10 JDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862602682 IBXRHUHJIBYVCI-FQEVSTJZSA-N 483.433 1.786 30 10 JDEE C=CCN(CC=C)c1nc(=NCCCN(C)C)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871632332 OPGPKOPHBFEEDG-UHFFFAOYSA-N 450.547 1.227 30 10 JDEE CCCNC(=O)CSc1nncn1/N=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1874537957 GVUFEYBCYRJJDG-ZVHZXABRSA-N 462.576 1.498 30 10 JDEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)cn1 2180966998 GOMCHXAQQUMBHH-HNNXBMFYSA-N 458.328 1.714 30 10 JDEE CC1(NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2255753142 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C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1286606318 MERJKMLOGXDBOY-DLBZAZTESA-N 451.535 1.199 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CC(=O)N(C)C)CC2)cc1 1286795306 AGSOPRJXGZUYGE-HXUWFJFHSA-N 467.574 1.053 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](NC(C)=O)C1 1286816058 FCKBXQARFGOPGK-SFHVURJKSA-N 475.571 1.422 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCOC(C)(C)[C@@H]1C 1286819124 AWSOVDDXVKIABO-AWEZNQCLSA-N 451.549 1.610 30 10 JDEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)O)C[C@H]2C)CC1 1286868504 BDVWSMHQBKGROJ-XMSQKQJNSA-N 465.602 1.967 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1286884902 YZQLIZOWNAGNEY-WCWDXBQESA-N 493.568 1.669 30 10 JDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H](C(C)C)N2CCOCC2)CCOC1 1296603972 BKBIJWHHWJCHSI-BVYCBKJFSA-N 450.559 1.729 30 10 JDEE C#CCN(c1nnc(CC)n1CC[C@@H](N1CCOCC1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300499589 VKHTWRDVLYOOFD-HZPDHXFCSA-N 463.526 1.120 30 10 JDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cn(C2COC2)nn1 1300641743 JWKDZMYFYNRLDK-IYBDPMFKSA-N 456.551 1.719 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)cc2F)CC1 1300724645 ANHHGEWGBUCSBN-KRWDZBQOSA-N 493.992 1.987 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2Cc2ncn(C)n2)CC1 1300732427 NDYJYQVFGSMDRY-UHFFFAOYSA-N 480.598 1.722 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1300743174 IESVUNQUPNNEAT-MSOLQXFVSA-N 491.595 1.676 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)OC(C)(C)C 1300806409 UTJOXUUDHVLJJJ-IIBYNOLFSA-N 482.607 1.128 30 10 JDEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)NC)CC1 1300829571 HZXURQKNCSICSP-UHFFFAOYSA-N 483.392 1.719 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2csc([C@H](C)OC)n2)CC1 1301085860 CCIQOHZXHZVWNP-DOTOQJQBSA-N 482.632 1.980 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1301478930 RCOZCYWDFVTJCW-UHFFFAOYSA-N 473.622 1.728 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1301479202 WDNOIGUUCOPYJR-GJZGRUSLSA-N 467.621 1.339 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](Cn2cccn2)C1 1301596498 QJGGUMLBEHCOPS-XUVXKRRUSA-N 492.646 1.899 30 10 JDEE Cc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 1304496149 HZSCEJYREBFCOO-GOSISDBHSA-N 497.629 1.485 30 10 JDEE COCc1cc(C(=O)OC)cc(S(=O)(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 1309396157 GFYVIFSJOVHOHE-FQEVSTJZSA-N 457.508 1.965 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1358956292 DBIWOJLDSXHOGW-XUVXKRRUSA-N 485.610 1.940 30 10 JDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358963102 BSOOZPBMPHNDQC-DHJUGAMNSA-N 474.583 1.824 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(N2CCOCC2)nc1)[C@H]1CCS(=O)(=O)C1 1358963834 OUCSTVKVQBAFBU-FQEVSTJZSA-N 486.642 1.773 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1358967438 KLDHBLWNBJESFI-LJQANCHMSA-N 469.571 1.338 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCOC[C@H]1OC 1358987332 CCNMJRYIBJVYRO-TZIWHRDSSA-N 456.568 1.863 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCOc2ccc(F)cc2)CC1 1359036068 LYWAQDUSTFOVSV-LJQANCHMSA-N 475.590 1.934 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCC(=O)NCc2ccccc2)CC1 1359046249 KDASXJZDCKCJND-UHFFFAOYSA-N 485.592 1.936 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC2CCN(C(C)=O)CC2)CC1 1359046355 OIXMTVYWOSQCPC-UHFFFAOYSA-N 483.642 1.858 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1359090485 BVMTUAMDPRVLRX-MHTWAQMVSA-N 496.678 1.418 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(C)c1C 1359099884 UOYFUZOLXPPCIB-SXLOBPIMSA-N 493.634 1.271 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1359301064 QTYAGBRIFIOJOY-XLIONFOSSA-N 454.531 1.397 30 10 JDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359345383 DVOCRUOHHZLPMU-UHFFFAOYSA-N 474.635 1.633 30 10 JDEE CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCCCC2)CC1 1505138321 AZNLEWGBGQGWEC-UHFFFAOYSA-N 488.614 1.896 30 10 JDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCOCC2)CCN1S(C)(=O)=O 1505285698 ACZFSSWEEACHCN-KRWDZBQOSA-N 474.587 1.625 30 10 JDEE C#CCCCn1c(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507598671 GXRBBDKHEOBZIL-BWKNWUBXSA-N 472.634 1.865 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1507632721 PHCNBLHVOXQFTI-WFXMLNOXSA-N 467.661 1.584 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1507642023 GMEADXZDPMNECJ-PMACEKPBSA-N 484.626 1.230 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cccc(Cl)c1 1507660750 ZBLXWTBCRTTYRX-IERDGZPVSA-N 463.991 1.912 30 10 JDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCN(C)C1 1507693375 AQXLUPMMUKAZLF-VWLOTQADSA-N 451.619 1.169 30 10 JDEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1nnn(C)n1 1507714754 VIRPERFOBRVAAZ-UHFFFAOYSA-N 451.318 1.822 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCSCC#C)CC1 1507736868 UOFPHWCQBQCLRX-HSZRJFAPSA-N 459.616 1.651 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC[C@H]2CCCO2)CC1 1507884432 IHNVJPRCZUGTSJ-RTBURBONSA-N 469.608 1.353 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1508086265 KKEUFQXNORAWHU-UHFFFAOYSA-N 487.561 1.802 30 10 JDEE C=CCNC(=O)Cn1c(N(C)C[C@@H]2COc3ccccc3O2)nnc1[C@@]1(OCC)CCOC1 1508097890 LXMFRPZJWMXXKA-UZUQRXQVSA-N 457.531 1.509 30 10 JDEE Cc1cccc(OCc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCNS(C)(=O)=O)c1 1511202860 CHQPYWFVIGFHGC-UHFFFAOYSA-N 496.597 1.308 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1516846119 CBCIBFMGBSEQSP-MOPGFXCFSA-N 460.560 1.140 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCNC(=O)c2cc[nH]n2)c1 1539039371 APKQEWGRVHAGOM-UHFFFAOYSA-N 457.498 1.483 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[S@](=O)CC)c1 1539043373 PNFOOBQHMFYTOD-AUMHUTNHSA-N 477.612 1.005 30 10 JDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1539090196 ZEGAHEJIOJDUCV-UHFFFAOYSA-N 479.006 1.747 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OC(F)F 1539179870 SVCGFDHUPILQTQ-QGZVFWFLSA-N 469.514 1.525 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(=O)NCC)c1)[C@@H]1CCS(=O)(=O)C1 1539216535 UQGVRHGNMXGYMY-HXUWFJFHSA-N 481.582 1.103 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1539231664 WNGIEFIPYIBJNI-TZIWHRDSSA-N 499.637 1.613 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCS(=O)(=O)C1 1539263456 INSWAFVYBVIROZ-OALUTQOASA-N 475.615 1.900 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C(F)(F)C12CCC2 1539326078 RIJFNOLGEWPBPY-IRXDYDNUSA-N 467.542 1.509 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1539441089 KOVJZETXQPUXNW-UHFFFAOYSA-N 452.559 1.994 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1539491708 SMPGAVFZPWCISX-UHFFFAOYSA-N 491.643 1.542 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1539612090 IHPAXGDMDVSHQI-KURKYZTESA-N 453.609 1.801 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(S(C)(=O)=O)CC1 1539616077 NXJSDHHKOTVDSC-WMZOPIPTSA-N 468.624 1.259 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1539644078 NWLBPCPINZYYSC-UWVAXJGDSA-N 451.593 1.395 30 10 JDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1539824478 UYECSSFTIKCTKF-BQFCYCMXSA-N 452.987 1.544 30 10 JDEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1540187125 LOTZRWIEQHJRNY-JOCHJYFZSA-N 457.556 1.642 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1540862227 VVNLXKOKJIYGPS-KRWDZBQOSA-N 477.610 1.944 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cccc(C)c1 1540871305 ITSFLCLYGWQRNF-UXHICEINSA-N 488.614 1.563 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccc(OCC)n2)CC1 1540874537 JVADHQFKBFYWKD-UHFFFAOYSA-N 479.589 1.562 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1540874896 VFCIPEGZGIBRJW-UHFFFAOYSA-N 479.585 1.580 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccccc3F)C2)nnc1[C@]1(OCC)CCOC1 1540876714 YUGPGSFUYUUSCT-XXBNENTESA-N 459.522 1.949 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2CC2(O)CCS(=O)(=O)CC2)C1 1540894395 XFQPSDBQDOJRRU-LJQANCHMSA-N 476.599 1.599 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCNC(=O)c2cc[nH]n2)c1 1587690007 WQAYGBXXEFQZAT-UHFFFAOYSA-N 469.509 1.549 30 10 JDEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1587701904 KZUUDMCQIFNZSZ-UHFFFAOYSA-N 491.596 1.878 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1588180984 MJSHGOWPXQUZSP-MRXNPFEDSA-N 466.571 1.493 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H](c2cccc(C)c2)N2CCOCC2)CC1 1588891432 PJAYRRIKEHFYTN-HSZRJFAPSA-N 450.587 1.934 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2cccnc2)CC1 1588891859 UUCGJXOWTSXQRY-RUZDIDTESA-N 466.586 1.922 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1593636392 LAPWWYCWYDTBIR-IRXDYDNUSA-N 484.623 1.633 30 10 JDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1595319438 QIOMTZNINBPHII-JYJNAYRXSA-N 454.597 1.910 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1595523043 NYHRTYVGRXIPCJ-UHFFFAOYSA-N 451.531 1.886 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCS(C)(=O)=O 1595544564 KAYDSOPTNNRQBC-INIZCTEOSA-N 484.623 1.176 30 10 JDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1595545010 PKBQUHBDWUHPRF-UHFFFAOYSA-N 456.551 1.295 30 10 JDEE C=CCNC(=O)N[C@@H]1CCN(C(=O)CC(C)(C)C)[C@H]1C(=O)N[C@H](Cc1ccccc1)C(N)=O 1616125357 FKJVUMFGWWXDRO-QWFCFKBJSA-N 457.575 1.090 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1618839725 DVGTXQCRYQFVTK-UHFFFAOYSA-N 497.581 1.538 30 10 JDEE C#C[C@H]1CC[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c2ccccc2)CC1 1637334887 YHYJRJMLYQOHKU-RUZKOFMBSA-N 452.598 1.688 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCC(=O)c2ccc(Br)cc2)CC1 1643372737 ZGIQFZHDVSZNOQ-UHFFFAOYSA-N 456.362 1.414 30 10 JDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)c(F)c3)CC2)cc1 1666305557 FBYXBYMEOFFILC-UHFFFAOYSA-N 451.501 1.595 30 10 JDEE C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)cc1 1668210602 UHRHKKNLBXIQBP-HXUWFJFHSA-N 453.547 1.945 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)c(F)c1 1689853047 OHLJNTNMSZOPJJ-BEFAXECRSA-N 465.551 1.459 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)COCC2 1689853709 XNZQUFZYCGOWPJ-JXFKEZNVSA-N 459.572 1.190 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CCS(C)(=O)=O)c1 1689868959 WIYHWIKLPYLTBR-QFIPXVFZSA-N 475.571 1.031 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1689977736 BSHAQMAPWQXMKN-KRWDZBQOSA-N 495.552 1.887 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689984791 VMUPENUFLIMQEF-NQIIRXRSSA-N 487.626 1.929 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)N2CCCCCC2)CC1 1690134934 LSRBJFCXLIQVIO-UHFFFAOYSA-N 483.617 1.273 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1690265714 SVARKKDDDCMSCX-HSALFYBXSA-N 498.694 1.901 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1690669226 YLUSGNSSERPTOR-LAUBAEHRSA-N 464.578 1.290 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1690670476 CBJNFEMJURATIV-RDJZCZTQSA-N 457.531 1.545 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1705480895 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C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1705648753 YCMCAQVOKMNBGX-FQEVSTJZSA-N 483.569 1.176 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1705655126 DVLOFYXYRSSNND-QFIPXVFZSA-N 488.639 1.278 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705722245 CIHOWWMMJQUNQL-UHFFFAOYSA-N 458.544 1.445 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1c1nncn1C 1705895500 IRNOPKOXOZOTGJ-AWEZNQCLSA-N 474.367 1.818 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(=O)OC)C1 1705902383 CZRUQFYOYOKIHK-SJORKVTESA-N 476.578 1.694 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(O)cc2C1 1722316203 DGDADJAMRFCCLC-HXUWFJFHSA-N 459.572 1.683 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1722371467 WQDLTJDCECLXCB-PZJWPPBQSA-N 498.609 1.076 30 10 JDEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CC(=O)N1CCOCC1 1722453068 VWARWPHBUHYNQA-UHFFFAOYSA-N 465.583 1.997 30 10 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C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740620917 HVZOLRFLYPWIMD-UGKGYDQZSA-N 460.604 1.637 30 10 JDEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@](C)(O)CC)CC1 1740692854 PVDUZWXBKMBOAC-JOCHJYFZSA-N 459.620 1.463 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1740699108 UODUYZYVRQEISP-OAQYLSRUSA-N 453.566 1.598 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1740715902 HOIURNAYEAXWTB-CVEARBPZSA-N 464.592 1.326 30 10 JDEE C=CCN(CCc1ccco1)c1nnc(Cc2cccnc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740936992 PWFGGEKZHOGQHV-QFIPXVFZSA-N 457.556 1.642 30 10 JDEE C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC(=O)NCCOC)CC1 1740945965 BUIQGKAZUGIYLO-UHFFFAOYSA-N 450.547 1.201 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1740958595 RKBJIGMQMNIYGD-RDJZCZTQSA-N 475.594 1.661 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccnc2-n2cccn2)C1 1740972498 JEVABKWDWGXUNR-WMZOPIPTSA-N 472.575 1.299 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCn2c(nc3c2CCCC3)C1 1740985039 AMGZKTJLSNKMAN-UHFFFAOYSA-N 489.646 1.893 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CCOC)CC1 1740986651 CSJZEKKXEBHGKC-UHFFFAOYSA-N 453.996 1.968 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCc2nn(C)c(=O)cc2C1 1740992106 AUPOQZCENPRPFG-UHFFFAOYSA-N 484.582 1.135 30 10 JDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1741033653 CQGWRQUSPFBIKN-HXUWFJFHSA-N 471.587 1.299 30 10 JDEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOCCCO)C[C@H]2C)CC1 1741057412 AAPHSMWHQSXASB-XXBNENTESA-N 481.601 1.205 30 10 JDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1747659472 AXXKGDTYCBOPAT-XMSQKQJNSA-N 490.655 1.789 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1Cl 1748670770 BNYBKZLWKOWBOI-YJBOKZPZSA-N 467.979 1.801 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CC(F)(F)Br)[C@H]1CCS(=O)(=O)C1 1748811513 IELZOWDVQACDQB-LBPRGKRZSA-N 462.320 1.898 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 1748817592 MXMSPZNKJWRVTR-VQTJNVASSA-N 492.623 1.002 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(C(N)=O)nc1 1748825402 WBTDHXUNWZMGQN-UHFFFAOYSA-N 461.913 1.477 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1748892874 XPZPWRIBAZWAMW-PKTZIBPZSA-N 481.622 1.544 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OCC 1748929138 DPMDZBVRFOPUAU-HXUWFJFHSA-N 461.588 1.826 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCCC1 1749066216 HZBZGBWERFDSDB-GHTZIAJQSA-N 465.620 1.688 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2nnc(C)s2)CC1 1749342500 GYNANOSLJVSGGC-MRXNPFEDSA-N 467.621 1.416 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1749411814 GVBNZPIGMAUMRE-SJORKVTESA-N 453.613 1.437 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749653164 XELAZHZMTTWYFK-RDJZCZTQSA-N 460.510 1.201 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CNS(C)(=O)=O)CC2)cc1 1749684144 RERRRFZBRJMTMV-FQEVSTJZSA-N 488.614 1.608 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1749736867 QYOZKHRBMSXRDV-PGRDOPGGSA-N 461.588 1.639 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1749756373 XNRLATKCQBQOJD-SFHVURJKSA-N 473.628 1.693 30 10 JDEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC2CCOCC2)CC1 1750204753 ICAZKAPOSOBSAW-UHFFFAOYSA-N 458.588 1.410 30 10 JDEE C#CCCCCn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1[C@@]1(OCC)CCOC1 1760143177 YGZVKRIHUGDZTR-XMMPIXPASA-N 466.590 1.974 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1760218993 RQQWZRRDKGKLSF-QZTJIDSGSA-N 463.604 1.804 30 10 JDEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760276394 CBSLLIAEEFETQC-HNNXBMFYSA-N 474.974 1.121 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCCS1(=O)=O 1760291793 CILMKQKZMCRMLT-JOCHJYFZSA-N 459.572 1.990 30 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COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCNC(=O)OC(C)(C)C 2255796742 WCHGZRLZJRUYNU-UHFFFAOYSA-N 456.370 1.797 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)n1 2267471118 FBHXBIJOQAOOCK-RNODOKPDSA-N 468.385 1.007 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@@H]21 2267490654 RCFWTQHZEKHQPB-CABCVRRESA-N 465.381 1.903 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2COC[C@@H]2CNC(=O)OC(C)(C)C)n1 2281997157 YBSLUGPCZAYFDI-HOCLYGCPSA-N 464.372 1.472 30 10 JDEE CCc1nc(C(=O)NC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282031702 WGKIEAVPJACSGX-UHFFFAOYSA-N 480.396 1.209 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)[C@@H]2COC[C@H]21 2282092822 UMDIGWITIKVBBO-XYJFISCASA-N 461.368 1.688 30 10 JDEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@@H]1CCNC(=O)OC(C)(C)C 2282106285 WCUFMCKVIFULOR-GJZGRUSLSA-N 463.388 1.737 30 10 JDEE C[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C1(O)CN(C(=O)OC(C)(C)C)C1 2282345822 JSKUEWNGDSCYCS-OAHLLOKOSA-N 482.408 1.634 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2282684351 PNTXEAMTMBPTDZ-QLFBSQMISA-N 461.372 1.490 30 10 JDEE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282853670 HBYWQUIYXNMCTQ-UHFFFAOYSA-N 479.408 1.573 30 10 JDEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282876525 FBUWOBHYBDQKAR-JOCHJYFZSA-N 484.424 1.681 30 10 JDEE Cc1ccc(NC(=O)[C@@H]2[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2284049314 SMZAAEYLJGZPMU-FGTMMUONSA-N 462.352 1.574 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H]2OCCC[C@]2(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2284058425 LVOPXUHYQRCJJD-ASSNKEHSSA-N 480.396 1.614 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NC(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)CO[C@@H]1C2 2334263460 KOQSONPQXVFUTR-LKBUQDJMSA-N 465.381 1.997 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]2C[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 2359280872 ZOTKRWQULFLGAJ-BARDWOONSA-N 461.372 1.536 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2COC[C@H]2CNC(=O)OC(C)(C)C)n1C 2362335525 LNPSTWHFNRHLOF-CABCVRRESA-N 464.372 1.297 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2364966169 DECFBPILJOXFOT-UHFFFAOYSA-N 466.315 1.542 30 10 JDEE COc1[nH]c(=N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2CO)ccc1B1OC(C)(C)C(C)(C)O1 2365344583 PONAMXGPOKPWIR-WBVHZDCISA-N 463.384 1.841 30 10 JDEE Nn1c(N/N=C/c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 20291848 BPYAMWQLPPNXNI-DJKKODMXSA-N 457.432 1.985 30 10 JDEE COc1ccc(C(=O)/C=C2\N=c3ccc(C(=O)N4CCN(c5ccccn5)CC4)cc3=NC2=O)cc1 211038593 YSTQDERWLHWPGO-QJOMJCCJSA-N 481.512 1.599 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 1286383421 MNYWABWFNFDCMP-GBXCKJPGSA-N 493.674 1.821 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](N1CCOCC1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286386565 CUZBYBSPTBXVOK-QZTJIDSGSA-N 498.531 1.230 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCOc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1286389409 JJYXLFQVNBUJBM-WMZOPIPTSA-N 477.974 1.588 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCOCC2)CC1 1286455233 SYRLCRFBHHGSIN-SFHVURJKSA-N 490.605 1.532 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1286460409 NBBFFGXNQNTVSR-CVDCTZTESA-N 474.583 1.773 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286501414 XFNGMOYEKMZYAM-INIZCTEOSA-N 450.586 1.952 30 10 JDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286512478 VJWAPLUXTQDNPU-UHFFFAOYSA-N 493.593 1.022 30 10 JDEE C=C(Br)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286539813 DZCAZTAMOKMHEC-OAHLLOKOSA-N 479.766 1.578 30 10 JDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1286715337 XTQZOPPEODVYPQ-YJBOKZPZSA-N 462.576 1.676 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NC(C)C 1286774035 XTLVPLYKTVZUSR-KRWDZBQOSA-N 466.583 1.750 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1286781273 PYUMYZIHYOOWPP-OALUTQOASA-N 465.558 1.697 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1286782188 NELIJPVKXQDIOE-UHFFFAOYSA-N 457.542 1.852 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cc(OC)cc(OC)c1 1286787170 QCKKUIZETKBQLP-UHFFFAOYSA-N 468.514 1.962 30 10 JDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@@]3(CCCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286793212 VLSFITOSIZVSPS-OFAXGOBFSA-N 463.579 1.395 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(Cc3csc(C)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1286793849 NSAWCQPITTXTOA-JOCHJYFZSA-N 475.619 1.320 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1286821642 RCOYBCXMFAKRKC-SJORKVTESA-N 468.482 1.862 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)(C)C)n3CCN/C(O)=C3\N=CC=CC3=O)C[C@H]2C)CC1 1286888641 ZXHIQWIBUDAZRR-AEZKDZDTSA-N 498.632 1.091 30 10 JDEE C=CCn1cc(CNC(=O)[C@@H](NS(=O)(=O)c2ccc(Br)cc2)C(C)C)nn1 1299675236 MXGDUNFJMOVEGJ-INIZCTEOSA-N 456.366 1.846 30 10 JDEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1300372443 HMNPXQSSOAHLFN-UHFFFAOYSA-N 464.570 1.896 30 10 JDEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1300419050 GFPCLUOEEPRIRZ-UHFFFAOYSA-N 499.685 1.574 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1300690884 KVEYEESOYMLTTM-KOSHJBKYSA-N 455.559 1.648 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(O)CC(OCC)C2)CC1 1300718737 WCPVEMKMCFACLL-UHFFFAOYSA-N 472.977 1.889 30 10 JDEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1301164222 QRMGHRAHGFAEFE-QRQLOZEOSA-N 476.603 1.199 30 10 JDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCN(CCN(C)C)CC1 1301281133 DFIGXIQWTZDPMI-UHFFFAOYSA-N 450.595 1.817 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)Cc1ccccc1)C1CC1 1301327560 VGJQBMOEHFUWSM-HXUWFJFHSA-N 488.614 1.424 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](CC)C1 1301496510 BRQPDZGSXBODKF-SFHVURJKSA-N 494.600 1.041 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301514914 NZMWBQNMQXECBY-LJQANCHMSA-N 481.557 1.249 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](CC(N)=O)C1 1301576022 PIVXNPAWEYUBNN-CYBMUJFWSA-N 485.408 1.728 30 10 JDEE C=CCn1c(O)nnc1SCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1307318904 YLSHUOHLOFXZEB-UHFFFAOYSA-N 453.546 1.230 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNc1nccc(C(F)(F)F)n1 1358891173 ZZXSRRNUWGRDRF-OLZOCXBDSA-N 457.482 1.559 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C2CCOCC2)C1 1358913255 JMEOFHUJGFLULW-VQTJNVASSA-N 465.620 1.667 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(C)(C)N1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1358964362 XTPBRFQCRODBRZ-RBUKOAKNSA-N 479.647 1.298 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1358964447 ZFGZBAXKYNUWLR-ICSRJNTNSA-N 491.639 1.143 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1358965465 VNKZOBDFSIUELM-SFTDATJTSA-N 456.616 1.765 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNC(=O)C(C)C 1358987943 XQOMCZTXAOCBNV-UHFFFAOYSA-N 455.584 1.974 30 10 JDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1359010446 QACMEXXOYLLRLF-DLBZAZTESA-N 467.592 1.481 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(OCC)c2)CC1 1359036094 MKZAUHGPOPRERP-HXUWFJFHSA-N 457.600 1.577 30 10 JDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1359081748 MSXNVPPBDFMXMK-INIZCTEOSA-N 495.426 1.250 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1359216386 VRSPVEQXIKKMQZ-GOSISDBHSA-N 475.619 1.970 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1359295727 LXEKQLAESMFXKJ-UHFFFAOYSA-N 465.602 1.554 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1Cc1ccccc1 1359300360 ACZLNWLCOVXQDK-VQTJNVASSA-N 488.614 1.125 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCS(=O)(=O)CC 1359300507 DCOULHIZMDJMMS-UHFFFAOYSA-N 498.650 1.566 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1359301241 VKJRAQGGGQZZRD-RBUKOAKNSA-N 467.622 1.673 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1359304580 BOXBKPZIDSCPKR-UHFFFAOYSA-N 496.503 1.928 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC[C@@]3(CCOC3)O2)C1 1359313271 JMCLBOFMBGJCKJ-XLSPSMHOSA-N 455.581 1.008 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1359333110 OGXIKIQTUIEFMH-DLBZAZTESA-N 499.684 1.930 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@@H](C(N)=O)Cc4ccccc43)CC2)cc1 1455969854 GZVRFZDVCVJMQY-IBGZPJMESA-N 452.536 1.650 30 10 JDEE C=CCN(CC(=O)Nc1sc(C(=O)NC)c(C)c1C(=O)OCC)[C@H]1CCS(=O)(=O)C1 1459689171 RLQVVTXNDAQTSI-ZDUSSCGKSA-N 457.574 1.206 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1507623124 RTKFUQDZOHPOKG-WOJBJXKFSA-N 478.663 1.411 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1507630650 FAJVYNZABBBOHT-FQEVSTJZSA-N 459.620 1.427 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1507630706 GBGRJHMAUFSCPJ-IBGZPJMESA-N 452.540 1.907 30 10 JDEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1507632064 ISTVYCKTSVUPNV-MJGOQNOKSA-N 473.603 1.114 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1507640409 RXNNFTDUXYDBLR-GOSISDBHSA-N 470.555 1.274 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCN(CCC)C2)CC1 1507737036 XFXULXBKYOEULM-NLFFAJNJSA-N 472.634 1.628 30 10 JDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507751074 JRRMVEVOFWJLMX-TYPHKJRUSA-N 460.648 1.527 30 10 JDEE 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C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1740955598 ZBWDOQWXYNBVFV-MRXNPFEDSA-N 469.546 1.305 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1740958014 HACHRNDBMCCXKW-DLBZAZTESA-N 489.374 1.872 30 10 JDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1740963086 YMYSYTCIBAPUGI-QFIPXVFZSA-N 473.666 1.544 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCNC(=O)C1 1740987023 NPXXTQUCYKKBJX-UHFFFAOYSA-N 472.340 1.384 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H]1CCOC1 1740987939 OWKCZCKTRNEBMD-MRXNPFEDSA-N 454.574 1.175 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1747426612 HUSPNDWUMGNXCO-LJQANCHMSA-N 494.643 1.360 30 10 JDEE COc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cc(OC)c1OC 1748541186 HWYCGIIUMSOEJS-VFNWGFHPSA-N 479.534 1.696 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccs2)CC1 1748719139 VMEMPQYIWKDIIB-GOSISDBHSA-N 478.644 1.803 30 10 JDEE C#CCCCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1748730100 IAFILVAHAMRGFE-HZPDHXFCSA-N 469.518 1.935 30 10 JDEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1748744700 GGXCJHPOUJEGAL-UHFFFAOYSA-N 471.587 1.635 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1748802935 UHKCVYWSABELMD-IBGZPJMESA-N 462.620 1.017 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748807658 ARJHZLLUDHWFAN-YLJYHZDGSA-N 488.570 1.201 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C(CC)CC)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748824571 QTTACNQSTWCUPR-BHIFYINESA-N 493.674 1.893 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1749001062 FXPQAHFNDBZHJI-WOJBJXKFSA-N 471.650 1.750 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCN2CCOC(C)(C)C2)CC1 1749006572 SHLAQXUMWQXJOR-UHFFFAOYSA-N 454.575 1.923 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC[S@](=O)CC)CC1 1749010023 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C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749730987 YAQILRARUCZNGW-HNNXBMFYSA-N 463.585 1.651 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C2CCOCC2)C1 1760154844 KEDMCBXIZURZBH-MOPGFXCFSA-N 451.593 1.277 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760185070 OVKNKPVGMSGHKT-RBUKOAKNSA-N 473.599 1.301 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cnn(CCOC)c1)[C@H]1CCS(=O)(=O)C1 1760185250 TYMKQCZGIWJHJW-NRFANRHFSA-N 479.566 1.335 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(OC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760185747 CLGMIPIUTOIOOU-QZTJIDSGSA-N 484.644 1.156 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(NC(C)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1760188772 CWWYEXVLPGCMIH-HXUWFJFHSA-N 479.566 1.292 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1760191201 CRXAXADVMZRSGA-LSDHHAIUSA-N 467.642 1.648 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc2c(c1)OCO2 1760290017 URZLGLFHBQUHNL-YCRPNKLZSA-N 461.544 1.688 30 10 JDEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760441030 WSEWGEJAUFBPSP-UHFFFAOYSA-N 467.622 1.629 30 10 JDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCS(C)(=O)=O 1760463704 MZUVGFFLPGOHGX-INIZCTEOSA-N 473.596 1.270 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCS(=O)(=O)C1 1760484105 NAVXJRYBULNMCQ-HUUCEWRRSA-N 473.646 1.577 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2cccc(C)c2)C1 1760543236 NVWBVVFPTWYRLR-UXHICEINSA-N 473.599 1.700 30 10 JDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1760560126 YPDGEVSBXMNQRW-UHFFFAOYSA-N 499.688 1.611 30 10 JDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1766847823 FBEIPZWBNYBUSW-MSYCTHLASA-N 491.662 1.253 30 10 JDEE COc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)ccc1OCCO 1769855001 HZJVESUQBLDHAM-IBGZPJMESA-N 489.598 1.738 30 10 JDEE CCOc1cc(N2CCOCC2)c(OCC)c2c(=O)cc(C(=O)N(CCC#N)CC(=O)O)[nH]c12 1866533128 JVYUHVPOFHETKN-UHFFFAOYSA-N 472.498 1.603 30 10 JDEE C=CCn1cc(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)c(=O)cc1CN1C[C@H](C)O[C@@H](C)C1 1870428314 BVLHMOIUCCKCEU-ROUUACIJSA-N 481.557 1.137 30 10 JDEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)C1 1891979522 PZGSGJLWRPUGEG-YJBOKZPZSA-N 459.503 1.710 30 10 JDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(S(=O)(=O)N4CCCC4)CC3)n[nH]2)c1C 1892143679 PZOFNCJQIQCLEQ-UHFFFAOYSA-N 461.592 1.565 30 10 JDEE CN(C(=O)OCc1ccccc1)C1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2247922301 FVGMHUHUPWXVLG-UHFFFAOYSA-N 452.320 1.869 30 10 JDEE CCN(CCN(CC)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267537700 QOAFIPFJSZLLCQ-UHFFFAOYSA-N 451.377 1.833 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N(Cc2ccccc2)Cc2cc[nH]n2)n1 2267709693 GJXUSBLJRYKINN-UHFFFAOYSA-N 457.365 1.834 30 10 JDEE CC1(C)OB(c2cc(S(=O)(=O)N3CC(CNC(=O)C(F)(F)F)C3)ccc2Cl)OC1(C)C 2267719110 CRXSUPBEHJDCAL-UHFFFAOYSA-N 482.717 1.938 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268717310 KBOGUUXOBPUZAK-ZIAGYGMSSA-N 467.397 1.988 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1 2282051344 HIRLINLZRGZLTH-CQSZACIVSA-N 464.372 1.302 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2282176074 PLHLHWLNJHFCGA-KKUMJFAQSA-N 461.372 1.632 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC[C@H]1CO 2282676015 FUTBOGQADKWITP-YJBOKZPZSA-N 461.368 1.729 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2282864649 JCNYGVNITCFMJW-SOUVJXGZSA-N 482.412 1.253 30 10 JDEE Cc1nc(S(=O)(=O)N2C[C@@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282873467 LSXCWBDEZMSQEP-LHSJRXKWSA-N 482.412 1.315 30 10 JDEE C[C@H](OCc1ccccc1)[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C(=O)O 2284416041 SUTCSYCMVXKOQL-KBXCAEBGSA-N 479.364 1.056 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2362334971 FVPZHIOFSUTBEW-HNNXBMFYSA-N 464.372 1.475 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)[C@H](CC(N)=O)C1 2369381261 OSSWPFLMXJYCFP-CYBMUJFWSA-N 480.396 1.379 30 10 JDEE CC(C)(C)OC(=O)N1CC(C(=O)Nc2ccccc2B2OC(C)(C)C(C)(C)O2)(S(C)(=O)=O)C1 2379800157 IBCPZRMIOGTDDU-UHFFFAOYSA-N 480.392 1.958 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1C[C@H]1CCCO1 489094416 JCUYNYCOFWPGIE-MRXNPFEDSA-N 461.490 1.495 30 10 JDEE C=C[C@]1(COC(C)=O)O[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OCc2ccccc2)[C@@H]1OC(C)=O 575449118 WFWONYIAIQBDKR-BMXMUORJSA-N 464.467 1.843 30 10 JDEE C#CCN(C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)[C@@H]1CCS(=O)(=O)C1 729332511 PAXZQYPJBCRWSH-CYBMUJFWSA-N 453.314 1.084 30 10 JDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)[C@H](C)Oc3ccccc3C#N)CC2)cc1 914678885 CPLLUVRYYUYMKD-SFHVURJKSA-N 499.545 1.604 30 10 JDEE COCCn1cc(C=NNc2nnc(SCC(=O)Nc3ccc(OC)cc3C)n2N)cn1 1084002737 QUACLUPNXBLIQR-UHFFFAOYSA-N 459.536 1.329 30 10 JDEE Cc1nn(CCO)c(C)c1C=NNc1nnc(SCC(=O)Nc2cccc(Cl)c2)n1N 1084585214 SVBZFTAXCMYMER-UHFFFAOYSA-N 463.955 1.628 30 10 JDEE C=CCN(C(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)[C@@H]1CCS(=O)(=O)C1 1125953395 FHUDBDDBQHFDOP-JKSUJKDBSA-N 453.565 1.665 30 10 JDEE CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN(C1CC1)[C@H](C)C#N 1171819769 ABPUUOQFESAMRS-MRXNPFEDSA-N 450.561 1.810 30 10 JDEE CN1C(=O)COc2ccc(NC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc21 1200927399 COVZOJJUHIWDOQ-UHFFFAOYSA-N 455.496 1.452 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2NC(=O)CC2(C)C)c1 1286310608 DXOXBECDSOVTEB-PKOBYXMFSA-N 498.609 1.151 30 10 JDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1cc(Br)cn1 1286369627 UPBDMOOYAZVRJA-UHFFFAOYSA-N 467.331 1.921 30 10 JDEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1286389662 OFUAYBOQPNTUTR-MYGHRHJXSA-N 473.624 1.832 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1CCN(CC(F)(F)F)CC1)[C@H]1CCS(=O)(=O)C1 1286396432 UVJSFTFBDMLPHR-MSOLQXFVSA-N 489.564 1.683 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCC2(O)CCOCC2)CC1 1286492104 HEWNLFCKZXRUSD-UHFFFAOYSA-N 497.596 1.763 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1286608175 NIGYFKDPBXRFKP-LJQANCHMSA-N 491.589 1.761 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1286781008 LWESNTAHANAREU-INIZCTEOSA-N 477.610 1.944 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(OC)CCCC2)C1 1286810853 WQBFMGFGDLQZRQ-QZTJIDSGSA-N 469.608 1.352 30 10 JDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286835357 VRGBDBUSQPTTHW-CQSZACIVSA-N 455.631 1.812 30 10 JDEE CC(C)NC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1288241153 DLAOCJYAACAKPA-INIZCTEOSA-N 489.577 1.042 30 10 JDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1300357005 GXKZEGVORCNVOK-PMACEKPBSA-N 455.607 1.556 30 10 JDEE C#CCCCCn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1300373186 RBGJFUSJKGZJND-QGZVFWFLSA-N 468.583 1.530 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1300484491 SOJXMRIKAZYNQD-XZOQPEGZSA-N 496.637 1.800 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1300491907 JOVOWIBTVKMBBC-SFHVURJKSA-N 497.625 1.951 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(N(C)C)CCC2)CC1 1300715573 AFDZDGNPGATOPO-XMMPIXPASA-N 458.607 1.380 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1300726290 MTYFNXRCNQVRFV-FCHUYYIVSA-N 472.634 1.495 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1300952069 HMIBNVPZFIRXKV-FQEVSTJZSA-N 488.614 1.458 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1301189341 VBQQOBKYFBLAHB-ROUUACIJSA-N 489.664 1.371 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1301505988 DQWBBPFDBKNUJV-IBGZPJMESA-N 474.631 1.587 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1301513983 DHCFFIIFLBNTMY-GOSISDBHSA-N 452.519 1.638 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1301568487 SYZQNFYGAPTBQF-UHFFFAOYSA-N 480.635 1.246 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCNC(=O)C1 1301577199 LIRCYTMIQJPYCW-UHFFFAOYSA-N 484.376 1.253 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1301579181 PCJGLURAJXJIQO-UHFFFAOYSA-N 494.577 1.982 30 10 JDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)(C)C)CC1=O 1301890140 HYOMYJDOMUKSMB-UHFFFAOYSA-N 453.547 1.417 30 10 JDEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC(=O)N1CCOCC1 1305520021 ARHWUBABMIJCGS-SFHVURJKSA-N 452.563 1.634 30 10 JDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCC2=O)CC1 1314529649 HSPJRKWQMIBCGY-UHFFFAOYSA-N 456.572 1.843 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN1CCCS1(=O)=O 1358986853 JENWFVGJVJKXPD-UHFFFAOYSA-N 463.567 1.834 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCCCC1 1359010494 RJLXYWSYCFWEFP-GOSISDBHSA-N 453.609 1.667 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC(=O)N2CCOCC2)CC1 1359039208 ZPVCUHUHKKQKIC-UHFFFAOYSA-N 480.613 1.903 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1359150726 FJCSNBCCEBUPRR-INIZCTEOSA-N 491.014 1.421 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359277031 AHGGZVKACLZNLD-NQIIRXRSSA-N 450.561 1.897 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1359296020 UQSWCSYWJJLRMX-HNNXBMFYSA-N 472.981 1.085 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H](OC)C1 1359298887 ORMGYGWXLFLTEK-CRAIPNDOSA-N 451.531 1.355 30 10 JDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1359304841 LCYKMWPZTYYBAO-UHFFFAOYSA-N 462.576 1.018 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](C(=O)NC3CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359305953 RFMQELFGIMTJCJ-HXOBKFHXSA-N 460.579 1.116 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=O)NCC(F)(F)F)C1 1359315959 FSBQPONFCLKGGQ-MRXNPFEDSA-N 477.451 1.381 30 10 JDEE CC(=O)N1CCN(C(=O)CCNC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 1466183078 DFDBMUWVYWYRBH-UHFFFAOYSA-N 454.531 1.472 30 10 JDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1503285837 AJTKCJODMXOHDQ-FQEVSTJZSA-N 488.614 1.921 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N1CCOCC1 1507532360 KRLUNIIWYCNKAC-ZWKOTPCHSA-N 460.579 1.709 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1507564324 PHZZRYXLVLRVFF-FCHUYYIVSA-N 492.690 1.215 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1507587862 BFFZEAAVYVOCRL-KRWDZBQOSA-N 477.553 1.685 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1507622004 AFWWEICTZRXNOP-PMACEKPBSA-N 489.573 1.668 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccs1 1507654358 ZPUZHGGHNSEQFZ-KRWDZBQOSA-N 461.613 1.723 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(O)CCCC1(C)C 1507708483 JUOPIOUOGTZXPO-QHCPKHFHSA-N 450.547 1.948 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2nncn2C)CC1 1507732086 SOLXYWXFUDKNKE-GOSISDBHSA-N 469.594 1.325 30 10 JDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1507781476 AAWDBSFLSHUNCJ-QZTJIDSGSA-N 475.391 1.993 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2cccn2)C1 1507783975 FPOJAMITVFEHGC-GJZGRUSLSA-N 471.381 1.191 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507809593 WBFAESYHNFRJIZ-QXAKKESOSA-N 453.609 1.971 30 10 JDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507935077 MOLKCUCTBIMTJC-JKSUJKDBSA-N 450.565 1.009 30 10 JDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1507948458 RICONZCJHHLYKJ-GOSISDBHSA-N 457.579 1.136 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(N(C)C)CCCC2)C1 1508127712 WEKCKRVRTKUYAO-RTBURBONSA-N 482.651 1.267 30 10 JDEE COc1cccc(C(=O)NCCn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)c1 1518350821 BDPSTARWZUTHPZ-QFIPXVFZSA-N 455.494 1.281 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCO[C@H]1C1CC1 1539015003 NLEDUXPHBDLXLE-DBSRCYSRSA-N 451.593 1.274 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539230914 RLRSWQHPWAKMFN-HYBUGGRVSA-N 485.610 1.325 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)C1CCCCC1 1539267331 YNRBEVOHKSAEMX-OAQYLSRUSA-N 476.647 1.338 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1539415543 FOWGVXMLBWFOOR-OALUTQOASA-N 454.579 1.759 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2C[C@]2(O)CCN(C)C2)CC1 1539440936 FBKOQDSZLGZGCC-SANMLTNESA-N 482.629 1.954 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1539468422 FTCJZWCOPHGDEU-NBGIEHNGSA-N 486.617 1.155 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)c1nccs1 1539517093 IKPOLEAAKQRUTC-HOTGVXAUSA-N 484.673 1.674 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1539532869 DNOJETKKUVZJLW-MHTWAQMVSA-N 463.648 1.916 30 10 JDEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1539793374 DGXLYKCZVDCPDY-UHFFFAOYSA-N 488.039 1.462 30 10 JDEE C=CCNC(=O)Cn1c(N2CCCN(c3ccc(OC)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1540875902 BBHZFWMOJKDLQG-VWLOTQADSA-N 484.601 1.958 30 10 JDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)C1 1554542144 BBCWTAAPSYRRHU-LJQANCHMSA-N 454.531 1.450 30 10 JDEE CS(=O)(=O)CC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CC1 1555801168 FJAFRMZGOUBGAE-INIZCTEOSA-N 455.606 1.135 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 1558073737 YNUIUOPRNDROLB-ROUUACIJSA-N 456.609 1.462 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O 1566409396 CPOHBFRVUWGZGI-HNNXBMFYSA-N 456.528 1.189 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCCCCO)[C@H]1CCS(=O)(=O)C1 1588045461 LHOCNMOZMZEJIG-SFHVURJKSA-N 460.556 1.853 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OCCC)nc1)[C@@H]1CCS(=O)(=O)C1 1588049545 ICBLWIFWLDSSEK-LJQANCHMSA-N 469.571 1.537 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H](C(F)F)N1CCOCC1 1588124547 NFXGSNKLEIUZDY-FQEVSTJZSA-N 495.534 1.621 30 10 JDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCc1ccco1 1588250629 HAEPBUZPOCQPAK-UHFFFAOYSA-N 450.524 1.642 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1589548377 YYIBHRYTJWYHDH-PDOICOKGSA-N 468.555 1.034 30 10 JDEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1594533319 BNTPIJYNICIUQY-QRQLOZEOSA-N 481.644 1.872 30 10 JDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1595314157 HGQSRWVSSKMFCZ-MRXNPFEDSA-N 469.937 1.579 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1595405446 PQGLRTQETIHMJO-RTWAWAEBSA-N 474.631 1.898 30 10 JDEE Cc1cnn(C[C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)NC(C)C)CCO2)c1 1612340561 BTMAFWJHUWRDAQ-NRFANRHFSA-N 478.557 1.664 30 10 JDEE COc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)ccc1C 1619098082 HJMUKJRSBBLBON-DNVCBOLYSA-N 462.576 1.572 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCn2cc(Br)cn2)C1 1620346618 DSPODRNNWMKORC-GUYCJALGSA-N 451.304 1.720 30 10 JDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NCCC#C[Si](C)(C)C)ccc2F)CC1 1628998545 CCFSJHZUAQOGBD-UHFFFAOYSA-N 453.612 1.679 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H](Cc1ccccn1)NC(=O)OC(C)(C)C 1631744130 CFSDOCZPQOXRCK-SJLPKXTDSA-N 451.531 1.916 30 10 JDEE COC(=O)[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 1651377764 GQQBIKLWTNPGMY-KRWDZBQOSA-N 455.414 1.886 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689991912 DRWFAALBZOMOHP-LJQANCHMSA-N 458.588 1.053 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1689997043 UVLDBDNTWUQNAD-VXKWHMMOSA-N 487.674 1.887 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1690143928 GWPJPJDMMVJPBZ-UHFFFAOYSA-N 490.543 1.578 30 10 JDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1690160065 VXEJZSXDWLIEPS-HXUWFJFHSA-N 483.598 1.963 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690419056 GALRCQASUTXVLC-OAHLLOKOSA-N 476.669 1.351 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)COCC2 1690622309 MTGPRQOJLVAKDF-NRFANRHFSA-N 491.614 1.371 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CCOC)C(=O)C1 1690665623 KEORQICRNKQWRP-UHFFFAOYSA-N 462.938 1.204 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCOC(C)(C)C1 1690668567 AHOHEXRZPRMOQQ-UHFFFAOYSA-N 465.558 1.982 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCN1CCOC(C)(C)C1 1690671875 AYLULFAIFYZGSN-HXUWFJFHSA-N 470.574 1.640 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnccn1 1690683389 JLOHDMFXAWKQEF-NRFANRHFSA-N 499.597 1.651 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC[C@@H]2OC)C1 1690700006 MJVSHLHXJRJSNF-RDGPPVDQSA-N 469.608 1.207 30 10 JDEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1695429000 CISKBRNZLSJVPC-QGZVFWFLSA-N 453.503 1.286 30 10 JDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705508496 OORWXKWJOQGJNO-UHFFFAOYSA-N 473.541 1.549 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1705560664 JDPYHSNOHVFCMF-HKUYNNGSSA-N 471.583 1.495 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705577015 UJSWWXHFSXHRMZ-MRXNPFEDSA-N 461.975 1.961 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccc(C(N)=O)nc2)CC1 1705633062 IMGJUQYCWVGZQW-KRWDZBQOSA-N 463.517 1.855 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCOc2cccc(C(F)(F)F)n2)CC1 1705638827 YCJMBJCHIDJEOZ-UHFFFAOYSA-N 458.448 1.983 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCNC(=O)c2cccc(O)c2)CC1 1705648306 QLUOEBWDNHCZPX-OAQYLSRUSA-N 494.596 1.664 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](OC)[C@H](OC)C1 1705662338 WKFAVIDDUYPZHX-OKZBNKHCSA-N 481.619 1.803 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1705735840 XAYGVETYJFHNHV-UYAOXDASSA-N 473.622 1.391 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1705737520 TXXOLFKCYHGVOA-SFHVURJKSA-N 480.635 1.499 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705908156 JVALNKLSUGGRQR-OAQYLSRUSA-N 495.628 1.465 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1C1(c2ccccc2)CCC1 1705908419 BRBQGAGVUYMKFV-UHFFFAOYSA-N 465.602 1.261 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1705933503 JHYPTYIFSCLBKN-MRXNPFEDSA-N 466.995 1.899 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCC[C@@H](C)C1 1708084839 GOFFTIOVCFIBRW-LJQANCHMSA-N 465.606 1.741 30 10 JDEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CCN1CCOC 1709548731 CKGLIHGOUQRPMZ-DHLKQENFSA-N 467.618 1.820 30 10 JDEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1709971146 BTXNMQSGNWDCRK-LJQANCHMSA-N 469.571 1.947 30 10 JDEE CCOc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(O)CCS(=O)(=O)C2)cc1OC 1710509221 HVYVCYMTLHWKMD-QVKFZJNVSA-N 463.560 1.498 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722358498 IREAVFDCYYZKNE-AUMHUTNHSA-N 485.676 1.370 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCC=C)[C@H]1CCS(=O)(=O)C1 1722358841 GJQRQTHEKATQCF-SFHVURJKSA-N 462.597 1.942 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722360093 CWKLFEIPXJLVEE-FHWLQOOXSA-N 457.604 1.482 30 10 JDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1722386090 VLHHXUHDAQOHSL-HSALFYBXSA-N 482.585 1.498 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1cccc(C(F)(F)F)n1 1722390775 UQNBCIBPEOOEKJ-HNNXBMFYSA-N 484.504 1.844 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CC2(C(N)=O)CCOCC2)n1 1722427310 IFLNOELCFAAJGM-UHFFFAOYSA-N 457.579 1.340 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1722439105 OSMCGJQUOMLTTA-QFIPXVFZSA-N 450.635 1.293 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1722450318 DAAGFXRATQZQCK-HXUWFJFHSA-N 499.637 1.956 30 10 JDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(NS(C)(=O)=O)CC1 1722457345 XDRJTLPJCFVNRB-UHFFFAOYSA-N 463.585 1.558 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1722459559 MVMFSNNWLOMSEB-QGZVFWFLSA-N 461.613 1.930 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1722530455 FQHMQVXZJLGWIM-QFIPXVFZSA-N 462.572 1.937 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1722692759 VRRVXZSKPBHVNP-UHFFFAOYSA-N 487.511 1.057 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1722732402 YGAXNQUGXVJKDC-APWZRJJASA-N 477.562 1.559 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1740621383 WNHPXXIBHVAPLA-JKSUJKDBSA-N 450.492 1.285 30 10 JDEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCN(C(C)=O)CC1 1740660124 GTAOZHODXYHXEK-UHFFFAOYSA-N 451.575 1.771 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCc2ccccc21 1740686856 XSIVBRFYDSMGKA-TZIWHRDSSA-N 473.599 1.427 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)C(=O)NC)CC1 1740707058 MYVAHFBMYJNTRZ-UHFFFAOYSA-N 457.604 1.372 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccc(OCC)n2)CC1 1740710285 VHQCVQVSFMACLK-UHFFFAOYSA-N 458.592 1.298 30 10 JDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1740723788 UAQIFEPIHQAFAW-LJQANCHMSA-N 474.631 1.436 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(CO)CC1 1740988880 SCADKCBEQJNLQF-UHFFFAOYSA-N 450.561 1.772 30 10 JDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1741000779 WCVBYOCKGSVRGJ-QGZVFWFLSA-N 483.598 1.453 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CCS(=O)(=O)CC1 1741123784 AZGXUGNYCWOZMA-GFCCVEGCSA-N 471.381 1.571 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccnc1OCC(F)(F)F 1741924633 BTSZIDSYQMZODS-SJCJKPOMSA-N 491.471 1.715 30 10 JDEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)c1=O 1746359609 APYYPLYCPHEJBB-DEOSSOPVSA-N 461.526 1.660 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(Br)c1 1748825718 CSRXWMNZJZMMOJ-HNNXBMFYSA-N 494.415 1.975 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1748906921 ZOUIJJBIOQIANW-MHORFTMASA-N 496.634 1.372 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1748999101 IFIHXFLQXWRBHS-UHFFFAOYSA-N 469.609 1.777 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)c2ccccc2)CC1 1749009032 FIAMELROHFLHPT-HXUWFJFHSA-N 485.610 1.612 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCC2(F)F)CC1 1749014122 FCUWKDUWFJONKW-ZWKOTPCHSA-N 483.585 1.972 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(F)c2F)CC1 1749193989 WDOZLKYXMJDHKS-GOSISDBHSA-N 482.557 1.792 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1749413410 UKUZYVJKHGJKNG-INIZCTEOSA-N 464.567 1.956 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1749678179 YJFUCEZFGNIYFJ-UHFFFAOYSA-N 454.579 1.433 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(SC)CCOCC2)C1 1749711515 ADMKASFKAJYLPF-IAGOWNOFSA-N 456.634 1.874 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCC(C)CC2)CC1 1749721236 DMAYTPNYHUZEBK-UHFFFAOYSA-N 478.663 1.816 30 10 JDEE CC(C)NC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1750994922 CJMSVRSEXQCUSH-IBGZPJMESA-N 451.531 1.375 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(=O)N(C)C)c1 1751094059 CNXQMOSFWZPDET-WMZOPIPTSA-N 474.587 1.434 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C/C=C/CC)c1 1760129068 XIBKGBAIQDAHSH-DUIUGDAFSA-N 486.598 1.633 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2nccs2)C1 1760136934 DCBUTRIGCNZRTR-IAGOWNOFSA-N 480.616 1.449 30 10 JDEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760183395 OUZQTTYYAOQQKN-NRFANRHFSA-N 499.637 1.728 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1760189766 LQZOLHXJDNXHKH-MRXNPFEDSA-N 464.617 1.033 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](OC)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1760191478 IHJMEFPACRJSSB-KURKYZTESA-N 451.593 1.088 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1760191714 MHHYGFKCJXEAKZ-FQEVSTJZSA-N 489.667 1.841 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCSCC2)CCCCC1 1760194628 MQMYJMXSTUNXIU-IBGZPJMESA-N 478.688 1.713 30 10 JDEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760207167 ACBRYXTXVZNOFW-FQEVSTJZSA-N 493.383 1.242 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)nc2ccccc12 1760249638 PLARQKFSLWZGQV-KRWDZBQOSA-N 469.567 1.871 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCOCC2(C)C)CC1 1760256063 KWBNJVWSIMFHIG-UHFFFAOYSA-N 468.602 1.828 30 10 JDEE C#CCN1CCN(c2nnc(COCC)n2C[C@H](C)N2CCN(c3ccccc3)CC2)CC1 1760264579 UDPVFQDXEFWORN-QFIPXVFZSA-N 451.619 1.781 30 10 JDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760306586 GDVJFVPVRPHAPM-CYBMUJFWSA-N 461.386 1.046 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)COC)CC1 1760326586 YHGVSNRYUVRDPT-FDDCHVKYSA-N 454.575 1.977 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[C@@H]2N2CCCS2(=O)=O)CC1 1760382236 MCKWTXPTXBTWNW-KSZLIROESA-N 486.664 1.249 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1760522388 RYFITOFIDAMDJF-CVEARBPZSA-N 492.568 1.193 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1760522390 RYFITOFIDAMDJF-HZPDHXFCSA-N 492.568 1.193 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2F)C1 1760522824 ZHSUEGPJLQWMNH-QAPCUYQASA-N 463.535 1.199 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccs2)CC1 1760557416 KWDRJUCXLNDXCI-UHFFFAOYSA-N 464.617 1.389 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1760557644 SJHFKPCYZDQGKQ-VQTJNVASSA-N 473.599 1.748 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@]3(CCSC3)C2)nnc1[C@@]1(OCC)CCOC1 1760558047 DTFFBAYFBBXIHY-VQTJNVASSA-N 456.634 1.864 30 10 JDEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1760564280 UPQQHWXRYFTESV-UHFFFAOYSA-N 497.625 1.889 30 10 JDEE COc1ccc(S(=O)(=O)CCC(=O)N[C@H](CO)C(=O)Nc2ccccc2C#N)cc1Cl 1866807747 ZCJJKWSKONZPFT-QGZVFWFLSA-N 465.915 1.500 30 10 JDEE N#Cc1nnn(-c2ccc3c(c2)OCO3)c1NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155490 PPFRHIXXIMHXQC-UHFFFAOYSA-N 489.404 1.791 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4ccncc4)nn3C)CC2)CC1 1889484032 GFCQHSLCWGCFHF-UHFFFAOYSA-N 450.587 1.744 30 10 JDEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)CC1 1889519151 XOJZACILNXLCBL-UHFFFAOYSA-N 476.462 1.931 30 10 JDEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCN(c3cc(=O)n(C)c(O)n3)CC2)[C@H]1c1ccc(C#N)cc1 1890325426 ANGMOPCSYAXRED-FGZHOGPDSA-N 496.593 1.100 30 10 JDEE Cc1nc(I)c(NS(=O)(=O)C[C@@H](C)C#N)c(I)n1 2058130614 OFPJHIANPJOGPT-YFKPBYRVSA-N 492.080 1.896 30 10 JDEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256732247 ZSXZDEVSIWTIFF-UHFFFAOYSA-N 453.370 1.477 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@](C)(CO)C1 2267139790 LFUSNDNQUJXPTI-NRFANRHFSA-N 450.345 1.153 30 10 JDEE C[C@H](C[S@](C)(=O)=NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2267178319 AFVWACIMUBSJPX-FZAOIFNZSA-N 470.401 1.871 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]1(NC(=O)OC(C)(C)C)CCOC1 2267182804 JJSGTCKYLKWXJR-NRFANRHFSA-N 450.345 1.133 30 10 JDEE C[C@H]1C[C@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267470632 AEMWTBPQDJCWFH-KBPBESRZSA-N 470.401 1.396 30 10 JDEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2267536037 GAJOJKFVVHPEMW-SFHVURJKSA-N 456.421 1.988 30 10 JDEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267710507 WUARVOLCNONMFR-KBPBESRZSA-N 470.401 1.396 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 2267712630 GRPQLCJFSCQGIM-HDJSIYSDSA-N 470.401 1.301 30 10 JDEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267715937 FSNFWKMUEOIONN-KBPBESRZSA-N 470.401 1.396 30 10 JDEE CCN(C(=O)OC(C)(C)C)[C@H](C)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267717182 YPMKSZSBEZXKQA-CQSZACIVSA-N 472.417 1.643 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CCO[C@](C)(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268698503 AYMVFDTYKQYWFN-YUNKPMOVSA-N 468.385 1.660 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2268702946 XYIVAOGXRZWVCA-AWEZNQCLSA-N 467.397 1.822 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2268710210 HIRVKVOREPBIBF-OAHLLOKOSA-N 451.304 1.639 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)[C@@H](O)C1 2268773355 BQIPVDQOFITVSL-AOMKIAJQSA-N 452.357 1.509 30 10 JDEE Cn1nc(C(=O)N[C@@H]2COCC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282041810 BRTBBDCWYRKWSF-CHWSQXEVSA-N 484.790 1.785 30 10 JDEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282354494 RBVJPORGJFKIHW-LSDHHAIUSA-N 484.428 1.643 30 10 JDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282488896 CHNBGDYMIHSVOF-NEPJUHHUSA-N 497.370 1.661 30 10 JDEE Cn1nc(C(=O)N2C[C@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282549458 KTMGEWXIJFSVEI-CHWSQXEVSA-N 484.790 1.473 30 10 JDEE CO[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)c(C)nn2C)C[C@@H]1NC(=O)OC(C)(C)C 2282559426 JEHCZCQFRNAIMB-GJZGRUSLSA-N 464.372 1.392 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCN(C[C@H](C)O)C(=O)OC(C)(C)C 2282582540 XSCIWBXETJBCNI-AWEZNQCLSA-N 466.388 1.375 30 10 JDEE CC(C)(C)OC(=O)NCC(CO)(CO)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282810332 SCRKXEDRNWEABO-UHFFFAOYSA-N 484.786 1.617 30 10 JDEE CCSc1nnc(CNC(C)=O)n1N=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2330747736 XFFXTCUUGOEEPZ-UHFFFAOYSA-N 462.576 1.628 30 10 JDEE CN(CCOCCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C(=O)OC(C)(C)C 2337198556 LIDMQWGVMFYJOD-UHFFFAOYSA-N 452.361 1.333 30 10 JDEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)C(CO)(CO)NC(=O)OC(C)(C)C 2344189452 BFNXNKJAWPCSCT-UHFFFAOYSA-N 470.397 1.254 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)cc2C1=O 9702270 PNJRVQJSHYFWHH-UHFFFAOYSA-N 471.491 1.514 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)c1 590068923 AEDNUFPWIPILMJ-UHFFFAOYSA-N 478.596 1.021 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCC)c2)c(=O)n1C[C@H]1CCCO1 603989573 FOPFZWHQNBXQRG-LJQANCHMSA-N 453.564 1.683 30 10 JDEE C#CCN(C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)[C@@H]1CCS(=O)(=O)C1 729331578 QNBBGVXTNXGUNO-LJQANCHMSA-N 458.561 1.701 30 10 JDEE C=CCn1c(=C(C#N)C(=O)Nc2cccc(OC)c2)sc(=Cc2cnn3ccccc23)c1=O 729671197 QZXXWKJCERVDPQ-UHFFFAOYSA-N 457.515 1.894 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1 918969218 ATKILHIRNNLGRD-UHFFFAOYSA-N 485.562 1.729 30 10 JDEE C=CCn1cc(C=NNc2nnc(SCC(=O)Nc3cccc(NC(C)=O)c3)n2N)cn1 1084099640 OWHXEGDCJDSLTE-UHFFFAOYSA-N 454.520 1.510 30 10 JDEE COc1cccc(C=NNc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)c1 1084625542 ASLURQDQRRJJBC-UHFFFAOYSA-N 461.529 1.638 30 10 JDEE C#CCO[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F 1124144069 MLIFPPZMCVBOPR-ZDUSSCGKSA-N 450.435 1.625 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1286376474 LKTKOBVVAQLQEM-HSALFYBXSA-N 466.652 1.439 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1286387003 LYMJCHDCXXPNKT-HXUWFJFHSA-N 455.584 1.878 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCOc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1286389406 JJYXLFQVNBUJBM-AEFFLSMTSA-N 477.974 1.588 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1286389415 JQOJIUBOGJUNCA-LJQANCHMSA-N 451.556 1.698 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1COCCC)[C@H]1CCS(=O)(=O)C1 1286389928 SZUQDXUREPGTRW-LEWJYISDSA-N 485.610 1.831 30 10 JDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCN1CCCO 1286438308 XCBGNMOJACCBHJ-IBGZPJMESA-N 473.647 1.853 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nc(C(F)(F)F)cs2)CC1 1286472121 VLUCXRGGEPSZRQ-UHFFFAOYSA-N 453.494 1.793 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1286477257 UIDHOQXYIASZBR-GOSISDBHSA-N 452.563 1.890 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CC(=O)NCC(F)F)CC1 1286479459 LYZCOCCZDBYRAO-UHFFFAOYSA-N 498.538 1.202 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC2(OC)CCC2)CC1 1286488106 LFUWTDBAOKEZPI-DEOSSOPVSA-N 459.591 1.855 30 10 JDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NCC)CC1 1286547795 JSQXJEYGMVJFJS-GJZGRUSLSA-N 457.373 1.762 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CCOC2)CC1 1286701175 WJKSZMJYJUHVAA-RBUKOAKNSA-N 453.609 1.830 30 10 JDEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)CN(C)C1=O)C1CC1 1286734329 QLPFHRJLIYHEBM-QFIPXVFZSA-N 458.588 1.829 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(S(C)(=O)=O)cc1 1286958801 BPXUAQUBIJYJLX-OAHLLOKOSA-N 453.528 1.973 30 10 JDEE CC(C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1287132726 AAXRRPIYTBWYNP-UHFFFAOYSA-N 478.601 1.480 30 10 JDEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@@H]3CNC(=O)c3cnn(C)c3)ccc2c1=O 1297868094 ANAVMBJMADLLJV-MRXNPFEDSA-N 452.540 1.639 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1300483420 LLPBPGJMQVYPGE-JPYJTQIMSA-N 488.614 1.066 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1CCCN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1300483438 JXNSHTZKDANXNT-UXHICEINSA-N 450.653 1.446 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1300499846 YJCIKTCXURHXBO-IBGZPJMESA-N 454.556 1.286 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1300502474 VMVQVGWEVALSJQ-IRXDYDNUSA-N 451.499 1.315 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(OC)CCOC1 1300664473 RAFSQCWPIICIEG-DEOSSOPVSA-N 466.542 1.566 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[C@H]1COCCO1 1300677131 YBFHABLFENMLHK-OTWHNJEPSA-N 463.579 1.940 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)C1 1300886494 YFTKKUCEHWUBQZ-MHORFTMASA-N 471.649 1.534 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCN(CC)CC1 1300915300 MJSSWMDYGCPQON-PMACEKPBSA-N 452.669 1.856 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CCC)C1 1300990298 JBXBGUMNYKPHEV-ZWKOTPCHSA-N 457.597 1.209 30 10 JDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(CNS(C)(=O)=O)CC1 1301155744 UCLYGVBOUMUEMF-UHFFFAOYSA-N 452.625 1.768 30 10 JDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1301468671 JENGKLDIPSCATQ-UHFFFAOYSA-N 452.544 1.276 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(OC(C)C)CC1 1301485112 REAHHIRMZDDNLT-UHFFFAOYSA-N 490.630 1.891 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1301496603 DNFOCCSUBFOXPR-SFTDATJTSA-N 466.634 1.946 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)CC1 1301500275 KTCYXHDJGBDDAR-INIZCTEOSA-N 461.567 1.021 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1301514761 MRKQIRJXDLTPCE-UHFFFAOYSA-N 451.531 1.336 30 10 JDEE C=CCNC(=O)Cn1c(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301519280 OKRYEAPKFCKJQB-VVLHAWIVSA-N 498.650 1.609 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1301596386 NCDIFSFVQONWGI-UONOGXRCSA-N 465.498 1.235 30 10 JDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-n2ccnc2C)nc1 1301799257 BCUGSYDSVAPOEF-UHFFFAOYSA-N 463.546 1.818 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1N(C)CCCC1(C)C 1303404844 DJSKDFYJXSDJGG-QUCCMNQESA-N 494.648 1.913 30 10 JDEE C#C[C@H](NCC(=O)N(CC(C)C)c1c(O)nc(=O)n(Cc2ccccc2)c1N)[C@@H]1CCCO1 1307703374 SJNCKOIHVINRIC-OALUTQOASA-N 453.543 1.339 30 10 JDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1313475749 BOLRTLUADNMWKZ-UHFFFAOYSA-N 479.585 1.808 30 10 JDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H](C)CN2CCN(CC)CC2)CCOC1 1314111852 GBULQMPCERDXKB-WWPVKYPJSA-N 463.602 1.646 30 10 JDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCCS1(=O)=O 1315653118 COAKWKDGIZFMOC-SJORKVTESA-N 461.544 1.562 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1c(Cl)cccc1OC)[C@@H]1CCS(=O)(=O)C1 1358955744 SOQABGGTNSBQTI-OAHLLOKOSA-N 479.990 1.753 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCOc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1358962473 QKNSHXSDUFJNTP-IEBWSBKVSA-N 457.556 1.243 30 10 JDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1358963692 MNOGJNNISYBCPJ-XLIONFOSSA-N 487.582 1.332 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCN1CCCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1358966464 PJNJSXVORDGRCY-VQTJNVASSA-N 476.647 1.292 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1359002628 HGVAMJVAQHGLCA-LSDHQDQOSA-N 497.581 1.181 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCS(=O)(=O)CC)CC1 1359046063 CITOWTDEUOUAEJ-UHFFFAOYSA-N 473.599 1.278 30 10 JDEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1359251850 XGJGSJDUWOFIMU-HTAPYJJXSA-N 497.618 1.291 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@]2(CCc3ccccc32)C1 1359293214 KIGZYCFXACVSCW-KOSHJBKYSA-N 455.559 1.983 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359293229 KMLLYTFLWNXPGZ-MRXNPFEDSA-N 474.363 1.566 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1359301239 VKJRAQGGGQZZRD-MOPGFXCFSA-N 467.622 1.673 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1359302927 YFGSJJQCBIMJBS-HZPDHXFCSA-N 459.576 1.077 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1359306462 HDOJYASAQABHID-LJQANCHMSA-N 472.521 1.299 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCS(C)(=O)=O)C1 1359321511 HHRDIYRQYDLZPA-ZWKOTPCHSA-N 499.634 1.803 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359333820 LAPMZWBBCOXKDT-INIZCTEOSA-N 465.551 1.886 30 10 JDEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1359339395 DAVLVDNIERTBOU-UHFFFAOYSA-N 468.587 1.331 30 10 JDEE CC(C)NC(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1360264942 DNXBKYGQSLERAI-KRWDZBQOSA-N 478.557 1.879 30 10 JDEE C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)N(C)C 1360568427 CLCJLRNNPMWYSL-GHTZIAJQSA-N 471.631 1.324 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(COC(C)(C)C)c1 1360713050 FDDHHKNPUJPVQX-APWZRJJASA-N 476.603 1.980 30 10 JDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C2CC2)CC1 1503825691 HKDVXMNPJBWJGE-KRWDZBQOSA-N 452.563 1.673 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCCOC2)C1 1505139936 IAZQJFJTSBVRHO-QZTJIDSGSA-N 452.581 1.168 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1507588591 OBSSBFXKLCZALX-IBGZPJMESA-N 476.559 1.612 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCC=C)cc1)[C@@H]1CCS(=O)(=O)C1 1507622167 BQKKOUWLZFGVCS-HXUWFJFHSA-N 483.594 1.754 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1507632592 NVXVRDGBLJSCMF-MOPGFXCFSA-N 474.583 1.886 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1507639172 WKDYLUVSSKOXCO-FCGDIQPGSA-N 498.671 1.258 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N[C@@H](C)CC 1507641573 HQVVENKBSWHFEL-KRWDZBQOSA-N 469.615 1.924 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCNC(=O)c2ccco2)CC1 1507719014 JTYYOLOXDBWKPE-HSZRJFAPSA-N 456.547 1.097 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2OCC)CC1 1507721295 ISLHLQUSVMPZOO-GOSISDBHSA-N 460.604 1.399 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1507721908 VFMLJASZHFFVGM-GYHWCHFESA-N 459.554 1.789 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H]2C[C@H](F)C2)CC1 1507739572 RSCMPILFXUUKQW-SZMVWBNQSA-N 451.568 1.284 30 10 JDEE C=C(Cl)Cn1c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1507873244 BWWPLOBRADNCGW-VQIMIIECSA-N 460.000 1.687 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1c(F)cccc1F)N(C)C 1507983256 POXUFMHKSRWQQW-QZTJIDSGSA-N 484.573 1.814 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(Cc3cnc(C)s3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1508097711 KFPZGHRUIFWPQL-HSZRJFAPSA-N 489.646 1.708 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](C(=O)NC)C1 1508141680 XFFBBOHAMRYSAE-QGZVFWFLSA-N 470.599 2.000 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1508144076 NMEIOMFEWPLSDG-UHFFFAOYSA-N 463.585 1.186 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCCCO2)n1CCC(=O)N(C)C 1512363979 AJYLKVOYJVMEHR-AEFFLSMTSA-N 453.551 1.375 30 10 JDEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)CC2=O)cc1Cl 1526949939 GEPOFPPPTORRDA-STXHMFSFSA-N 451.932 1.417 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)Cn2cnc3ccc(Br)cc3c2=O)n1 1538916616 IGIQVDVGSFJPTD-UHFFFAOYSA-N 458.316 1.664 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1539220433 JIDHKBOKRQCINP-SJORKVTESA-N 454.618 1.243 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1539220566 TWPKJZQZRDYZEN-QGZVFWFLSA-N 468.576 1.069 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539224244 DLKDLRWZKCUFQR-JAXLGGSGSA-N 486.642 1.390 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCC(=O)NC2CC2)CC1 1539427320 APGVMKMCTKINDG-UHFFFAOYSA-N 484.004 1.676 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2ccc(C)cc2)CC1 1539482642 VXGMZGYPAYKNFA-OAQYLSRUSA-N 464.570 1.486 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)CN2CCOCC2)CC1 1539484101 CFAKXQZUNFXBKN-IBGZPJMESA-N 470.643 1.865 30 10 JDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCS(=O)(=O)N2CCSCC2)CC1 1539900354 MMMCJQVOPYAHGI-OALUTQOASA-N 485.676 1.783 30 10 JDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1540012740 AYKJZOWQLWBDSV-UHFFFAOYSA-N 457.623 1.891 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1540029622 VWJGEVZYIKXWMY-KRWDZBQOSA-N 468.601 1.565 30 10 JDEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCCS1(=O)=O 1540064134 LDNRXMXNLYXWHM-UHFFFAOYSA-N 471.587 1.894 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1540865438 GUZWESUVHOQLKC-INIZCTEOSA-N 497.419 1.528 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1540897249 FGSKQJGCHKKVCL-PMACEKPBSA-N 452.669 1.997 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1540897447 JHJNGDQAWCDEOM-HZPDHXFCSA-N 486.591 1.781 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccccc1)C1CC1 1540905952 XNPQBVPFBJZYQE-SFHVURJKSA-N 464.613 1.950 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C)CC1 1540907189 NUGYEGOKOVNXFG-UHFFFAOYSA-N 472.615 1.636 30 10 JDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCCS2(=O)=O)cc1C 1542430742 FMQMNWZDZPZECS-RTBURBONSA-N 472.571 1.843 30 10 JDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N1CCOCC1 1548299422 FXCAOUDZUITKJY-ZWKOTPCHSA-N 460.604 1.797 30 10 JDEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1559018430 CVSCKUTYAFIOTN-CALCHBBNSA-N 453.586 1.444 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)cc1 1587640941 WASXXIMOKSWPQK-MAUKXSAKSA-N 451.980 1.965 30 10 JDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1587701510 DOVWSVLQYIIDIU-UHFFFAOYSA-N 459.595 1.574 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1588034836 MHCMNNBVAJYGSC-KRWDZBQOSA-N 490.582 1.513 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1588069548 QFFAAQRESXLCGF-SFHVURJKSA-N 472.546 1.713 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588074814 SNTJJTLRMSTMEK-NNWRFLSQSA-N 493.674 1.893 30 10 JDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1588185865 OOHIKOGIDIDNPU-QHCPKHFHSA-N 471.583 1.350 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[C@@H]2CCOC2)CC1 1588835557 BGQMMROBBSRSPS-UXHICEINSA-N 474.606 1.768 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCc2ccccc2F)CC1 1588923619 GVVCKLNGNDZGDR-FQEVSTJZSA-N 452.534 1.967 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H]2CCC[C@H]2N2CCCS2(=O)=O)CC1 1588947872 XSEJEWFWJLBSKO-NHCUHLMSSA-N 490.674 1.647 30 10 JDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1589042485 CQNGEPTZVUPYFZ-SFHVURJKSA-N 476.628 1.337 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1589567717 GDIUBZYNFAVUOO-GJYPPUQNSA-N 479.628 1.874 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1594733347 RIXBZAUGRKEUTK-ROUUACIJSA-N 468.624 1.462 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnnn1C 1595239731 QZTAUZOPZVEPJH-HXUWFJFHSA-N 486.602 1.023 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1595405416 ODHYQRVTTGMSQG-IBGZPJMESA-N 463.560 1.377 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN(CCOC)CC1 1595497135 QXOQEXSMQXDLAF-UHFFFAOYSA-N 481.370 1.917 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](n3cncn3)C2)cc1 1595608516 SPHCQDRCTGXTSO-PKOBYXMFSA-N 486.602 1.934 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1595838462 TWUPTCKEXQPRPE-OTWHNJEPSA-N 497.662 1.734 30 10 JDEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1595890374 RMOKESAWDBIMSF-UHFFFAOYSA-N 455.588 1.110 30 10 JDEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)C1 1618852447 AIMVOCNFZLKKHQ-HNNXBMFYSA-N 450.421 1.885 30 10 JDEE COC[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CC#N)CC1)OC 1619595264 FZCMLLOCDOFABD-IBGZPJMESA-N 476.603 1.987 30 10 JDEE C#CCN1CCCN(C(=O)[C@@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)CC1 1629542238 FTMRJIHQSYQSKD-HSZRJFAPSA-N 451.564 1.502 30 10 JDEE N#Cc1ccc(N2CC[C@@H](C(=O)NC[C@@H](O)COc3ccc4c(c3)CCC(=O)N4)C2)c(F)c1 1635837129 CGMJKHYDNJYPRF-QZTJIDSGSA-N 452.486 1.964 30 10 JDEE C#CC1CCN(CC(=O)N(CCCOC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)CC1 1646385467 KDSBQUKASMUMKT-UHFFFAOYSA-N 453.543 1.294 30 10 JDEE C#CCN(Cc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1)[C@@H]1CCOc2ccc(Br)cc21 1657339204 GVYKSMOAPNPQJA-CQSZACIVSA-N 458.316 1.682 30 10 JDEE C#CC[C@H](CCOC)NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 1672849599 UGSYKBIKNXIHBL-DLBZAZTESA-N 451.545 1.810 30 10 JDEE CN(C)S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1676353577 GKMXDPHODXLTNN-HXUWFJFHSA-N 455.540 1.409 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CN2CCCCC2)C1 1689893117 UPUBTAJOKPXXPF-RTWAWAEBSA-N 478.663 1.727 30 10 JDEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1689900808 QSRCWHWZYDFEGT-IBGZPJMESA-N 450.543 1.022 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1689966563 VNNQPEFMHNFXFU-LJQANCHMSA-N 489.602 1.259 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCN(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1689984072 KRJWSJDRNXQFAM-QFIPXVFZSA-N 496.637 1.679 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1690019674 OSTWRDRVYLADBY-BBWFWOEESA-N 473.521 1.977 30 10 JDEE C#CCN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1690067976 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C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1690345770 CTMDZHQUQAHNJM-NOVUIFNWSA-N 488.035 1.737 30 10 JDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CC1)COC(=O)N2 1690510643 AXHOZGJSMNNQCT-UHFFFAOYSA-N 460.560 1.941 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1690662700 CVXYFQYQSFYXFT-NEPJUHHUSA-N 465.377 1.786 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1690670582 FLBIOISGKROCQL-QGZVFWFLSA-N 456.507 1.452 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)CC3CCCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1690678096 KTEOJFSHWBRKJZ-VWLOTQADSA-N 488.633 1.851 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCCO1 1692805239 CGBKWIQZHMDGCY-NQIIRXRSSA-N 487.630 1.651 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CCC3CCOCC3)CC2)c1C#N 1693405712 DNFRYUAJPOQBPJ-UHFFFAOYSA-N 469.594 1.473 30 10 JDEE Cn1ncc(CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@](F)(C#N)C2)n1 1696883263 BOICVQYNYBCWJV-HXUWFJFHSA-N 458.523 1.552 30 10 JDEE CO[C@](C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)C1CC1 1697102009 ATVVMQFUYVNUEK-JOCHJYFZSA-N 474.587 1.625 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1705480631 XDXYDGAYUMLTAM-NLFFAJNJSA-N 467.618 1.973 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705564201 MLMBHGBORCQYJE-RQZFFVEVSA-N 473.624 1.991 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1cnn(C)c1 1705627048 SDLBLHRJCCZILE-UHFFFAOYSA-N 460.542 1.644 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCNC(=O)c2ccccc2F)CC1 1705635479 ZRZVAQMDGLZYKB-RUZDIDTESA-N 484.576 1.643 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(S(C)(=O)=O)CCCC2)CC1 1705642396 SBNAYBNTSSIXQV-UHFFFAOYSA-N 459.620 1.252 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cnn3ccccc23)CC1 1705645540 WYBWYQCELKAOHK-SFHVURJKSA-N 465.558 1.664 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)CN2CCOCC2)CC1 1705651523 ZUOAGKWRUZPCMU-FQEVSTJZSA-N 498.603 1.930 30 10 JDEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1705689767 YEIDUUCPDBHIOH-UHFFFAOYSA-N 480.436 1.943 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1CSC 1705700728 XPDBHESHHVVWRG-XWSJACJDSA-N 485.676 1.924 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1705907491 OPIVQKJKSKMJOE-NHCUHLMSSA-N 483.665 1.437 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1705923151 ZZJZXMIFXNZWRD-ROUUACIJSA-N 474.587 1.309 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705933939 WNBWJSDXZQGOBW-NVXWUHKLSA-N 468.963 1.560 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC1(F)F 1712453814 APGJUTJPOZLLQY-SJORKVTESA-N 490.577 1.803 30 10 JDEE CS(=O)(=O)Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1712695044 HTGQTYBGHYVGFY-FXAWDEMLSA-N 481.575 1.215 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CCc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1722359831 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C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)CN1CCOCC1 1722861656 AOARRUIGAPDNFO-ZWKOTPCHSA-N 460.604 1.913 30 10 JDEE Cc1cccc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CC(=O)NCC(F)(F)F)n1 1724512072 HDIHYMNRYDFFAW-UHFFFAOYSA-N 485.474 1.920 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC1CC1 1740549241 LDCPMPKPOZTSQW-HNNXBMFYSA-N 454.556 1.475 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2nc(C)no2)c1 1740564206 FBJNQOCSZYKGDS-SFHVURJKSA-N 497.581 1.561 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1740619715 QWSFPIRSJHIVNB-INZIPBBXSA-N 480.612 1.358 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCS(=O)(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740625972 JKLLBKCRLHIQPK-IAGOWNOFSA-N 472.633 1.360 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)N1CCSCC1 1740664449 QRCISWCVWMRSCP-UHFFFAOYSA-N 464.573 1.691 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCn2cnnn2)CC1 1740701478 IRTVLAQHABVCIL-UHFFFAOYSA-N 454.926 1.036 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1740716331 WPUIXDCATUQTQF-KRWDZBQOSA-N 461.592 1.775 30 10 JDEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1740821709 JTIXZNQMWFZWIA-LSDHHAIUSA-N 475.999 1.962 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1740955955 JLSOEOWOWSEYPJ-SIKLNZKXSA-N 495.628 1.635 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1740962056 RCSCLDNYLPXDBP-UHFFFAOYSA-N 481.648 1.186 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N(C)CC(=O)N1CCOCC1 1740992542 IOUCFXFJUBHHDK-UHFFFAOYSA-N 461.588 1.073 30 10 JDEE CCN1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)CC1 1746467166 AIKXHPDSIBLOHL-JOCHJYFZSA-N 485.658 1.858 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)CC2CC2)c1 1748692238 DXTYAXYBVITVBJ-LJQANCHMSA-N 471.583 1.663 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccc(OC)cc1 1748791202 QEEPXTNPARBHQV-QFBILLFUSA-N 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C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1358965062 NEPCJLLUTDBBST-LEWJYISDSA-N 456.616 1.623 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2OC)CC1 1358977929 ACALUWPENWSOQZ-OAQYLSRUSA-N 483.594 1.424 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2CC2(O)CCS(=O)(=O)CC2)n1 1359027263 CATUQCUWVCAKGG-UHFFFAOYSA-N 498.609 1.368 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(CCc3ccccc3)C2)CC1 1359029431 XNYSMWOVMHZHCP-JTHBVZDNSA-N 499.685 1.208 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(C(N)=O)c2)CC1 1359030555 YKHLURUIYNXMES-DEOSSOPVSA-N 452.559 1.221 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1359060359 SRPFUEIUXYXDIB-INIZCTEOSA-N 476.628 1.612 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1S(=O)(=O)N(C)C 1359070129 FZYYYHXMMWPGDL-XMSQKQJNSA-N 491.639 1.471 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCN(CCN(C)C)CC2)CC1 1359164808 AJQKGWAIDXXSMK-NRFANRHFSA-N 495.694 1.041 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1359304380 WXFLBDRMMWCCKR-GOSISDBHSA-N 458.950 1.934 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359329220 CAZKOAHKFKTCMN-QGZVFWFLSA-N 496.611 1.331 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1359330859 FOQJFCSGHXFMIF-INIZCTEOSA-N 465.580 1.383 30 10 JDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1359342025 NAGYQXJBISPCKU-WMLDXEAASA-N 464.617 1.993 30 10 JDEE C=CC[C@]1(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CCCN1C(=O)OC(C)(C)C 1435185553 OPZNCUQVFFRIMJ-DYESRHJHSA-N 459.609 1.937 30 10 JDEE CC(=O)NCCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@H](C)C(=O)OC(C)(C)C 1466785823 COEURMBNCYGETG-OAHLLOKOSA-N 451.545 1.168 30 10 JDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC)CCN1CCOC 1499680433 GHRGGTDFVMLROK-HXUWFJFHSA-N 460.604 1.798 30 10 JDEE COCCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1504886304 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C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1539480782 FEDWVNBCSAOITF-IBGZPJMESA-N 471.583 1.200 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cc2F)CC1 1539481387 MIXKUULYXRWGMX-QGZVFWFLSA-N 477.537 1.473 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCC[C@H](O)C2)CC1 1539490318 UYWCCAGBZINMSU-HZEGPAAWSA-N 459.591 1.519 30 10 JDEE C=C(Br)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1539588265 UTWVIVRMUSZKBY-UHFFFAOYSA-N 489.374 1.361 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1540037506 MTZCGXNEBZLKPC-CVEARBPZSA-N 481.541 1.982 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1540865881 VJKKMWVHKZYZOW-UHFFFAOYSA-N 450.565 1.399 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1540874661 NVFKTFIBBZTMMD-UHFFFAOYSA-N 463.468 1.677 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCN(C2CCOCC2)CC1 1540908593 JNQOZVXMJCNZLN-UHFFFAOYSA-N 493.605 1.898 30 10 JDEE 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1.887 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1595501061 KWALETQOUKVFFM-INIZCTEOSA-N 457.922 1.373 30 10 JDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1595871734 XPLFAYMHODKYPX-UHFFFAOYSA-N 482.632 1.785 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(Cc3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1595950089 BGQKEDXQMMEMDA-VHXPQNKSSA-N 495.559 1.982 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CC[C@H](O)C1 1596781934 FMUMMBAEJYPQEH-HLIPFELVSA-N 475.619 1.099 30 10 JDEE O=C(NCCN1CCOCC1)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=Nc3cccc4ccccc34)S[C@@H]12 1614386108 FZNDUAQRMCRXEC-AMGKQAFBSA-N 470.595 1.091 30 10 JDEE CNS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1618844312 ACMSYZGOKJKWBW-KRWDZBQOSA-N 460.560 1.251 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1620348654 AZIJHTPQIRDVBD-GOSISDBHSA-N 485.488 1.260 30 10 JDEE CS(=O)(=O)Cc1noc(CN2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)n1 1654039229 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1690175570 ZTMYMTYNQJMEAL-INIZCTEOSA-N 469.633 1.604 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)COC)CC1 1690278984 ZUSPLZLGWQRXBF-UHFFFAOYSA-N 462.576 1.067 30 10 JDEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690294546 LKLROIXDQXNLNJ-UHFFFAOYSA-N 463.542 1.576 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(C)COCCO1 1690573839 GCJQLNVWUFVGMW-DNVCBOLYSA-N 455.606 1.948 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ncccn2)CC1 1690644640 YMTYFPUXTYAMID-QGZVFWFLSA-N 456.551 1.889 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CCCOC2)C1 1690717984 XLADFPVOOSYTTQ-JOCHJYFZSA-N 494.639 1.956 30 10 JDEE CCN(CC)CCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1695662177 BXGJNZBDRXRGKE-RBUKOAKNSA-N 453.595 1.891 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(S(=O)(=O)NC)c1 1705490300 HQDIJCYIAYDXID-AWEZNQCLSA-N 456.528 1.420 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2c(s1)C[C@H](C)CC2 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C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1722523520 XNTLWEPGPDYIBR-IBGZPJMESA-N 450.653 1.751 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1722574181 GYPZWLPQIKYQMY-ZBFHGGJFSA-N 480.557 1.554 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1722692082 WKRNTNQEMNYOQB-ZDUSSCGKSA-N 474.509 1.846 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722695975 WSJKCJMETMITEO-INIZCTEOSA-N 487.948 1.382 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCSCC1 1722698786 MHSHTSVIVGALKZ-OAHLLOKOSA-N 452.581 1.442 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722705822 IFOOSQMBAAMKRR-YLJYHZDGSA-N 485.585 1.817 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1722724333 TZFYJYWUMHPIMH-PKOBYXMFSA-N 481.644 1.791 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1722725983 WDSQDHDNVPVKHG-INIZCTEOSA-N 455.606 1.288 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1722736583 BKETVHVVPIYSLW-ZWKOTPCHSA-N 466.608 1.313 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1722749157 FGOFPHRPBKXDMX-ZWKOTPCHSA-N 495.671 1.868 30 10 JDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1729840791 GFCHPBWFPLZSNU-GOSISDBHSA-N 468.558 1.839 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(N(C)C)CCSC2)c1 1740563287 RTZHVCWHBPHESO-YADARESESA-N 481.626 1.723 30 10 JDEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740595953 NVWAJAMPGYDDOW-UHFFFAOYSA-N 470.549 1.390 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1740624451 GZJXTUXWWKAUHM-FQEVSTJZSA-N 453.572 1.257 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1740629444 NRKDJBNYOSNNDQ-FJIDUMEYSA-N 486.685 1.477 30 10 JDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS(=O)(=O)CC1 1740719130 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ANOZLXSJGZHHHQ-KRWDZBQOSA-N 462.620 1.745 30 10 JDEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)CC1 1749097505 BTZVZJVOXXBJKI-UHFFFAOYSA-N 488.390 1.869 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1749457723 PAWLDQGOEJUNDL-MOPGFXCFSA-N 463.608 1.823 30 10 JDEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1749500340 CJKQPADBDKJPKJ-AVRDEDQJSA-N 475.571 1.141 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)cc1 1749684450 XABHVRLNQCPNLE-FQEVSTJZSA-N 488.614 1.703 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1749730569 JBXCTVODNYFGNK-UHFFFAOYSA-N 489.646 1.945 30 10 JDEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)CC1 1749958945 DDGLUIHERPCLON-UHFFFAOYSA-N 456.572 1.889 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](N4CCCS4(=O)=O)C3)n2CC(=O)NCC(F)F)cc1 1750382298 DVJFVBIPNZBJNY-KRWDZBQOSA-N 493.540 1.202 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(OC)CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1760178812 BENNICANTRZZMA-FVRICEFQSA-N 477.631 1.736 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1760181369 TWLSTTNZOWCTAC-NXHRZFHOSA-N 492.001 1.977 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1760187199 IRWPYIJZBGDDEB-ZWKOTPCHSA-N 462.547 1.995 30 10 JDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1760192902 ZLRLLLVAISCJFA-HXUWFJFHSA-N 468.583 1.434 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCOCC1(C)C 1760201959 OOZWJRAVWFAYFY-UHFFFAOYSA-N 473.581 1.859 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1760205580 FGEQNALKGJITQO-HSALFYBXSA-N 477.631 1.525 30 10 JDEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760227031 SBOGUNREUGCGOG-MRXNPFEDSA-N 477.587 1.712 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCS(=O)(=O)C1 1760235139 CSRLJEYRWOLNQU-ROUUACIJSA-N 481.619 1.871 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(C)CCCS2)n1 1760252290 MOJGDQFXWIKDOD-AVRDEDQJSA-N 492.671 1.949 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC(=O)NCC(F)F)CC1 1760254722 HWXBFBBNWVJZRQ-UHFFFAOYSA-N 485.308 1.983 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1760267529 POZBJQNGAUPUTH-FQEVSTJZSA-N 455.584 1.878 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1760274699 MKWAIRGVLIQVKB-QGZVFWFLSA-N 486.664 1.559 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCOCC1 1760294816 HCHXPQGEUVPUHT-DYESRHJHSA-N 451.593 1.420 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1760556982 WEVPZBLEOXTNAN-FQEVSTJZSA-N 470.599 1.655 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1760558112 GPOXEJWHEMRARX-MOPGFXCFSA-N 473.599 1.735 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cc(F)ccc1N1CCOCC1 1761481662 BRSDMCNMQGRYNC-VFNWGFHPSA-N 495.556 1.354 30 10 JDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1764764468 AZYHFVYBNHHYHP-OAHLLOKOSA-N 470.477 1.509 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1772660178 IFVSSZDEHNUHPJ-UHFFFAOYSA-N 498.627 1.577 30 10 JDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(OCC)c(OCC)c1 1865729396 NOEBMBMCUIEZCB-IBGZPJMESA-N 496.564 1.777 30 10 JDEE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CC(=O)O)C2=O)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867650351 WKHYDDAOPBEYTO-VQTJNVASSA-N 476.489 1.955 30 10 JDEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(OC(C)=O)cc2)n([C@@H]2CCS(=O)(=O)C2)[nH]1 1870004615 GDLGUDZBPNCEIE-QGZVFWFLSA-N 459.528 1.416 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(OC)c4)C3)CC2)CC1 1890345687 OAVYGKVKSLHXOK-JOCHJYFZSA-N 482.625 1.697 30 10 JDEE CCOc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)N(C)C3CN(c4nccnc4C#N)C3)n2)cc1 1891871509 OSPZRPLTGOHWEN-INIZCTEOSA-N 459.510 1.879 30 10 JDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C 2255620958 GGTUPPQMDYBKHF-CYBMUJFWSA-N 455.386 1.708 30 10 JDEE Cn1cc(C(=O)N=[S@@](C)(=O)CCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255831344 UIUHHQJZLGKMTH-HKBQPEDESA-N 456.374 1.482 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)[C@@H](CO)C1 2267147859 USBBTFZPQGQLRW-KGLIPLIRSA-N 467.397 1.790 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2267150660 FUBPNIMIWPLSSM-DZGCQCFKSA-N 467.397 1.790 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1CNC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267221449 VYOVVARWECGKGY-ILXRZTDVSA-N 468.381 1.118 30 10 JDEE CC(C)(C)OC(=O)N1CC(ONS(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267463427 ADEGBFFBUJNBOK-UHFFFAOYSA-N 468.381 1.956 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CO)CNS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267466194 WUDXFSFUHVJRMQ-QGZVFWFLSA-N 470.397 1.291 30 10 JDEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267710509 WUARVOLCNONMFR-UONOGXRCSA-N 470.401 1.396 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267718614 VVLIVJLLDUUVGF-KBPBESRZSA-N 488.437 1.696 30 10 JDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC(=O)NCc1ccccc1 2267725279 WPZUFHYHGGNTQP-UHFFFAOYSA-N 460.361 1.589 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@@H](F)C1 2267872555 JQXANFSQGZUGHM-KGLIPLIRSA-N 450.320 1.853 30 10 JDEE CC(C)(C)OC(=O)N1CC(CNc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)(C(N)=O)C1 2269007831 PDHSHBZQJDIETH-UHFFFAOYSA-N 450.320 1.654 30 10 JDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](O)CC12CN(C(=O)OC(C)(C)C)C2 2281965445 BXDIUIYGSOTAMZ-AWEZNQCLSA-N 479.408 1.947 30 10 JDEE COC[C@@]1(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2281984553 GFJJUVLSFPUKBP-QFIPXVFZSA-N 464.372 1.855 30 10 JDEE Cc1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)O)c(B2OC(C)(C)C(C)(C)O2)s1 2282020571 AAFLYSHIYUNIIK-ZDUSSCGKSA-N 481.380 1.897 30 10 JDEE CC(C)C[C@@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 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CC(C)(C)OC(=O)NCC12CC(NC(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)(CO1)C2 2337331380 ZZOMUMXLDMPURH-UHFFFAOYSA-N 465.381 1.998 30 10 JDEE CO[C@@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2339878241 JFVQICFCDDJEHZ-INIZCTEOSA-N 470.397 1.804 30 10 JDEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2344191160 MHTLZOXXJVXSHP-UHFFFAOYSA-N 470.759 1.826 30 10 JDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2cccc(OC)c2O)[C@H](C#N)C(=O)N3)CC1 72444761 VGVGJOPQGGZLNT-GOEBONIOSA-N 467.482 1.487 30 10 JDEE C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 215692239 TXPZKOPSOQSCTO-DOTOQJQBSA-N 475.399 1.774 30 10 JDEE C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(C)n(-c3ccccc3)c2C)c1=O 916195740 GKPQLVYKNASUJC-UHFFFAOYSA-N 462.575 1.769 30 10 JDEE CC(C)NC(=O)CN1CCN(C(=O)CSc2n[nH]c(NN=Cc3cccc(Cl)c3)n2)CC1 1084051189 PAMWRFMNYWSOLM-UHFFFAOYSA-N 479.010 1.665 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCCOCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286387178 OSKRCGZTXUXTJR-HXUWFJFHSA-N 475.615 1.744 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286387258 PFCPZHMMONMTAI-GOSISDBHSA-N 461.588 1.354 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286391563 DYAOVFAZURDBQL-HUUCEWRRSA-N 450.483 1.725 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1286392803 CDFJVQOPGKDPPB-HYJWCJBQSA-N 492.623 1.404 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCCS1(=O)=O 1286404175 OAFDBMUKXAUPJE-UHFFFAOYSA-N 473.555 1.079 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC[C@]2(CCOC2)O1 1286460408 NBBFFGXNQNTVSR-AUSIDOKSSA-N 474.583 1.773 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2ccc(C)cc2)CC1 1286485903 BWMXPDWVQNVDEW-RTBURBONSA-N 486.642 1.966 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(OC)nc2)CC1 1286494046 JCFITOACPZPERX-FPOVZHCZSA-N 468.558 1.420 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc([C@H](C)OCC)no2)CC1 1286627480 GIUOIFMIHZHJFG-LSDHHAIUSA-N 464.958 1.784 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1286662959 CIJXSVSRVDPWDG-MSOLQXFVSA-N 473.590 1.939 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1286776159 GGOPDACAXRDWBM-LPHOPBHVSA-N 463.560 1.463 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN(C(=O)OC)CC1 1286783044 DTYKDPDOVVIKOS-UHFFFAOYSA-N 472.546 1.933 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 1286783871 ONHCXQSVBOKYRS-UHFFFAOYSA-N 458.526 1.849 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(Cn3cncn3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286792809 ISTSINSZSHDDCJ-KDURUIRLSA-N 499.620 1.859 30 10 JDEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1 1286831141 ACNBVKNNPLSVLF-HNNXBMFYSA-N 452.581 1.442 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCS(=O)(=O)C1 1298325276 HQYFCUWSYKYPAD-SFHVURJKSA-N 465.539 1.868 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCN1CCCS1(=O)=O 1300512420 JHWFUFXBOWMECT-UHFFFAOYSA-N 465.377 1.154 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)OC)c1 1300579440 VTUBPMPYGFJLLA-SFHVURJKSA-N 455.540 1.870 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCSCCCO)CC1 1300688360 DIKVJXNIGYOELQ-UHFFFAOYSA-N 463.629 1.219 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(C(N)=O)CCCC2)CC1 1300690640 FCVZWXDMBYOZBK-UHFFFAOYSA-N 452.559 1.763 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1300731718 HIIFZKLAMAOGKD-OAQYLSRUSA-N 485.610 1.710 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)C1 1300762349 IECLYWCOYWJKRX-INIZCTEOSA-N 464.592 1.231 30 10 JDEE C=CCn1c(SCC(=O)N2C[C@H](O)C[C@H]2C(N)=O)nnc1-c1ccc(Cl)cc1Cl 1300828089 DILJLUDDAWPBFC-RISCZKNCSA-N 456.355 1.977 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1301484872 OOPVFIKRBFMFFQ-GOEBONIOSA-N 459.348 1.725 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1301499709 DSRVTBQCGKDLFX-LEWJYISDSA-N 475.638 1.053 30 10 JDEE C=CCn1c(O)nnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 1307318460 IJZUTEFFPZUEPD-UHFFFAOYSA-N 451.574 1.412 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC2(S(C)(=O)=O)CC2)c1 1358901959 BNRHBRXLPFKEPI-QGZVFWFLSA-N 457.556 1.415 30 10 JDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358937997 NQIMNCCYGUARIG-SJORKVTESA-N 457.560 1.199 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1358964705 FKODQBYMIIMRPX-IAGOWNOFSA-N 451.499 1.315 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCS(=O)(=O)C1 1358986640 CAIXSHFFHRFQAZ-SFHVURJKSA-N 488.639 1.444 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCNC(=O)c2ccco2)CC1 1359031493 DWMPQSXTFXSYKF-UHFFFAOYSA-N 482.566 1.127 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCNc2ccccn2)CC1 1359040089 HKYNXEDKYPXGHW-UHFFFAOYSA-N 452.563 1.279 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCS(=O)(=O)N(C)C 1359072615 KOXXVPPOXKSICC-RUZDIDTESA-N 499.685 1.526 30 10 JDEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2nnn(C)n2)CC1 1359175669 VIQAWLKIYWYONT-UHFFFAOYSA-N 457.564 1.170 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(CCC)C(=O)C1 1359294006 HUDMYGLBYWOCCJ-UHFFFAOYSA-N 474.587 1.100 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC)C1 1359310499 YCPVJOHZPRTXNF-CTNGQTDRSA-N 491.614 1.839 30 10 JDEE C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCN([C@@H](C#N)c2ccccc2)CC1 1459697494 BFQYNARRXQYYHN-GCJKJVERSA-N 455.584 1.264 30 10 JDEE C#CC[C@H](CCOC)NC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1479062066 MAYBEYKHDYMQMM-QGZVFWFLSA-N 451.545 1.292 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N1CCOCC1 1507532355 KRLUNIIWYCNKAC-MSOLQXFVSA-N 460.579 1.709 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1507574696 BEDQSJUTPGMFEP-SFHVURJKSA-N 484.626 1.551 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1507624749 DDKAJYDZIKBYBE-GHTZIAJQSA-N 475.527 1.286 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507638784 SUMUDDVHKUJVBO-UFYCRDLUSA-N 466.604 1.446 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@H]1C 1507652059 DGIBACZGBSMGMV-IUKKYPGJSA-N 459.547 1.199 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccc(F)c1 1507710033 BPXZTCABVLNKOS-FQEVSTJZSA-N 493.605 1.814 30 10 JDEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1507714429 OAKHQRRGAKNYMX-JOCHJYFZSA-N 462.572 1.110 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2cnnn2C)CC1 1507735471 AODJDEANWSEBTK-INIZCTEOSA-N 466.521 1.700 30 10 JDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1507836161 YWTBWDCLRVEODL-UHFFFAOYSA-N 456.547 1.677 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(C)(C)C1 1507845689 NMRUZCYJMZENIG-MRXNPFEDSA-N 459.638 1.536 30 10 JDEE C=CCCOCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507958124 OZRXJWDJAKBBEB-MRXNPFEDSA-N 476.484 1.286 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1507964442 FZEGDCIDJQNHEW-UXHICEINSA-N 493.634 1.550 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1508132390 XYOWITMGUTUNAQ-GOSISDBHSA-N 466.652 1.572 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H](C)C1 1508246184 UKEGPKWLZCAVGW-BQHWHHKNSA-N 467.505 1.668 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCCS1(=O)=O 1509938598 GXKPJEWLNPDXTB-LBPRGKRZSA-N 456.370 1.810 30 10 JDEE CC1(C)COCCN1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1510339245 HWACXGANJUSNPN-HNNXBMFYSA-N 464.368 1.875 30 10 JDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1519109620 FGKUWKBTXDKRNC-QFIPXVFZSA-N 453.591 1.696 30 10 JDEE N#C[C@]1(F)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(C(N)=O)CCOCC2)C1 1521055447 FBBUBPSPVCMTPK-GOSISDBHSA-N 466.315 1.760 30 10 JDEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1539216716 WJKIIECJPFRQGK-KRWDZBQOSA-N 489.623 1.498 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)Nc2c(C)cccc2C)CC1 1539431545 VHBGHTJUUUHERM-RUZDIDTESA-N 466.586 1.941 30 10 JDEE C#CCSCCn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1539531320 WCGNIIOUWDVPNL-NQIIRXRSSA-N 451.593 1.026 30 10 JDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1539952701 ILURGSQZEXXGIO-MSOLQXFVSA-N 454.641 1.934 30 10 JDEE C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)n1nnc(-c2ccccc2)n1 1540647558 AOABZWJEUHWCDA-INIZCTEOSA-N 451.512 1.306 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1540904297 LOSATNPNXRVJDW-UHFFFAOYSA-N 499.597 1.065 30 10 JDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN(CC)S(C)(=O)=O)CC1 1547771056 FWXQEFXXXHTTLS-UHFFFAOYSA-N 488.618 1.340 30 10 JDEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2C[C@H](C)O[C@H](C)C2)CC1=O 1555574265 DXVMRHAPPKZJRK-RZUBCFFCSA-N 495.628 1.857 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(OC)c(OC)c(OC)c1 1587641132 XUTLJARENLOLPQ-HNAYVOBHSA-N 493.586 1.143 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1587861359 KHPWRQGQWZYFHD-JKSUJKDBSA-N 478.541 1.097 30 10 JDEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1588044930 CXSUFVMMPBJHLE-MRXNPFEDSA-N 488.520 1.501 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1588054185 LHAJKYIZRKOYAH-ROUUACIJSA-N 460.556 1.474 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOc1cccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1588055353 VOGLWXAGDLQSNT-CVEARBPZSA-N 499.515 1.902 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1588055759 ZAGXYNFIEKLCBA-NJDAHSKKSA-N 463.648 1.777 30 10 JDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC1(NC(=O)OC(C)(C)C)COC1 1588128121 CUHTVNJGPCWECB-UHFFFAOYSA-N 468.514 1.372 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CCNS(C)(=O)=O)CC1 1588741842 JATPSBUXNLQMGU-SFHVURJKSA-N 495.049 1.993 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCN(C)CC(F)(F)F)CC1 1588923539 CTCMTDFCKSCAKD-UHFFFAOYSA-N 464.496 1.585 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1593746405 DEVXQTRHRCCWBN-HXUWFJFHSA-N 474.587 1.712 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(=O)OC)C1 1595765952 KCHNLCRIWKDNII-INIZCTEOSA-N 463.516 1.844 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2cscn2)CC1 1595798569 QQDOVDBPXXZCOS-SFHVURJKSA-N 466.633 1.899 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1595884577 NPNNLLBGPMNYOC-KRWDZBQOSA-N 468.649 1.437 30 10 JDEE CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O 1617827346 GPXUFYDERPRVAH-UHFFFAOYSA-N 460.604 1.656 30 10 JDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1ccc(OCC(F)(F)F)nc1 1639136768 HVQOLGZRAKKYFY-UHFFFAOYSA-N 456.446 1.810 30 10 JDEE COC(=O)c1cccc([C@@H](C(=O)OC)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1644910396 FBMIGKCJNZFVPV-FQEVSTJZSA-N 457.508 1.565 30 10 JDEE CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N2CCN(c3ccc(C#N)nc3)CC2)cc1 1655521245 HHQYSTXXEZSBQZ-KRWDZBQOSA-N 456.572 1.789 30 10 JDEE C=CCN1CC[C@H](N(C)S(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)C1=O 1661659836 QGDHJHRIUHCIET-OTWHNJEPSA-N 451.545 1.071 30 10 JDEE COCCc1ccc(OC[C@H](O)CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1 1683843194 IEJDPKFBMXUONZ-OAQYLSRUSA-N 453.543 1.850 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCCNS(C)(=O)=O)c1 1689870261 IGPHCVIUGMJHEC-UHFFFAOYSA-N 469.571 1.279 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2(COC)CCOCC2)c1 1689870529 QYOFCCKXXSLRAI-HXUWFJFHSA-N 480.569 1.729 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1689992078 GUPSKFKBXKMEKF-FQEVSTJZSA-N 456.547 1.922 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 1689998220 GCOBVEYXICNRBB-LNLFQRSKSA-N 479.628 1.636 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C(C)(C)C)n1 1690019978 WBFDWIPBLJXGLM-SFHVURJKSA-N 490.655 1.681 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](OCC)c2ccccc2)CC1 1690124828 VHIVNKXPWYSXEX-LEWJYISDSA-N 457.600 1.713 30 10 JDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1690172720 MEIPXCUCIFAWTP-FCEUIQTBSA-N 474.675 1.917 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1690254849 JQDKXUYHIGFTPN-RBUKOAKNSA-N 458.607 1.828 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1 1690622389 OHWHAAFJCQUPGX-SFHVURJKSA-N 469.995 1.952 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCSCCCO)C[C@@H]2C)CC1 1690864572 URZVTFBNOFCVRG-WMZHIEFXSA-N 497.669 1.921 30 10 JDEE CCc1nn(C)c(OC)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1694612508 CFPGYCAQTKPSPU-DEOSSOPVSA-N 478.557 1.783 30 10 JDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1)OC 1697756466 DFTIVTCSWMVLRM-WOJBJXKFSA-N 454.531 1.306 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2cc(OC)ccc2n1C 1705494563 BYRBIDOCNJMYCE-KXBFYZLASA-N 487.586 1.013 30 10 JDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1705513577 RIBZFGVPROUJFA-LJQANCHMSA-N 458.588 1.774 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCN1CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1705558962 NFTIIUJYKVMCFM-HXUWFJFHSA-N 484.626 1.496 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Cc1cccs1 1705583399 XEWAZJCQNKBFEP-HKUYNNGSSA-N 461.613 1.624 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@H](N1CCOCC1)C(F)(F)F 1705589462 QQGQUAVZYXCNJG-SFHVURJKSA-N 468.524 1.923 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)NC 1705595742 DYFVAIIBTUNQPK-UHFFFAOYSA-N 481.582 1.248 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1705620252 OZAMJZFEEUFVFM-OALUTQOASA-N 494.614 1.784 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCOC[C@H]2C)n1 1705631930 SNAPHFMUHKPGCS-HBFSDRIKSA-N 455.563 1.385 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1705642098 GXQFSESWUTTYNU-MSOLQXFVSA-N 458.588 1.076 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OCC3CC3)nc2)CC1 1705644392 PECVWZPIGAGMFT-UHFFFAOYSA-N 479.585 1.614 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCOC(F)F)CC1 1705646733 OTJQDGVKVLCMTN-UHFFFAOYSA-N 495.552 1.944 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCCO[C@H](C)C2)CC1 1705651385 VGNVGEFJLIOACB-JOCHJYFZSA-N 496.660 1.606 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1705662289 VMCJBGTYQMVTJF-GAJHUEQPSA-N 492.646 1.915 30 10 JDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705663091 WHDOKEPPYGMSRT-IBGZPJMESA-N 473.672 1.743 30 10 JDEE C#CCSCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1705664964 GUPIHIDQUVUEIH-VGSWGCGISA-N 476.603 1.158 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCCC1(C)C)C1CC1 1705854266 JMXYFMSJSIPTCF-LAUBAEHRSA-N 453.609 1.707 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2C)C1 1705898036 ZCUFMUKIPDCLJR-WMZOPIPTSA-N 462.576 1.077 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705932724 IZYCERIHGWXDHJ-UHFFFAOYSA-N 495.609 1.675 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1705936841 ZJPGCXUENAKOIT-UHFFFAOYSA-N 491.618 1.594 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(S(C)(=O)=O)CCC2)C1 1706934612 COEZVBFTOPQYGR-MAUKXSAKSA-N 455.606 1.278 30 10 JDEE CO[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1)C(C)C 1711543035 GEJMIDFRMOTFAV-PXNSSMCTSA-N 475.619 1.758 30 10 JDEE C#CCN(c1nnc(CC)n1Cc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 1722368289 QVPSLWWEPCCCOT-OAQYLSRUSA-N 471.627 1.472 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722369388 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KQPQMRSQZXBBCU-IBGZPJMESA-N 473.599 1.904 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1722696707 DDFOYYCAWBEUOD-UHFFFAOYSA-N 450.478 1.139 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1722702230 LTNOVRMCVDQHKG-FQEVSTJZSA-N 454.575 1.626 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NCC)CC1 1722707349 MUBGNIOTGKSASA-SFHVURJKSA-N 453.547 1.694 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1722726213 YLKQUTDYTVFDPV-UHFFFAOYSA-N 494.593 1.491 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1722729283 IACLOIPSNMYVPV-HXUWFJFHSA-N 460.604 1.166 30 10 JDEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)CN2CCOCC2)C1 1722819619 FELVOBXIQSHGJU-UGKGYDQZSA-N 481.601 1.802 30 10 JDEE CCNC(=O)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1728655898 IBUKBTAUHDHWFA-UWJYYQICSA-N 493.634 1.047 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 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C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1c2ccccc2C[C@@H]1C 1740686007 NRRWQTGSGPXABM-ICSRJNTNSA-N 457.600 1.717 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)CC=C 1740728670 ZVGXRGLGCYOAFO-OAQYLSRUSA-N 452.544 1.514 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)CCCC 1740732143 SNONVZBQVFPXOS-GHTZIAJQSA-N 452.625 1.335 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCCNS(C)(=O)=O 1740733431 CTVCGZUSPGIXDB-LJQANCHMSA-N 450.590 1.201 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1740865327 SMBYUIFUEDRFOD-IPJJNNNSSA-N 483.635 1.742 30 10 JDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1740890404 XJOYCMRUTVLHED-MRXNPFEDSA-N 471.628 1.111 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2CCC[C@@H]21 1740953411 FOKCLLGKYYGYHJ-LPHOPBHVSA-N 458.588 1.876 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCc2cn[nH]c2)C1 1740974713 OUVDIRKGQNLQKF-LJQANCHMSA-N 471.587 1.943 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1740986003 OZYBPAWSUVLPSV-AOMKIAJQSA-N 494.618 1.218 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCCN(C)C)c1 1741801419 APDPXZLNUXYRIL-MJGOQNOKSA-N 460.604 1.907 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(O)CCOCC2)c1 1747600534 CFDXMRGVBNXWPF-FQEVSTJZSA-N 478.550 1.179 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1748846135 DCVDGNPLJQCODR-YADHBBJMSA-N 480.638 1.464 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCN2CCc3ccccc3C2)CC1 1748977526 IBCXOBQVEKEFNF-OAQYLSRUSA-N 452.603 1.816 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNc2ccc(C(F)(F)F)cn2)CC1 1748991208 SPYAWVVNJPVDRP-QGZVFWFLSA-N 476.507 1.900 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2(COC)CCOCC2)CC1 1749011099 UMVLVVWGIOUBBR-UHFFFAOYSA-N 454.575 1.693 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCN2CCN(C(C)=O)CC2)CC1 1749011184 XSQKDINUYVIQFG-UHFFFAOYSA-N 477.613 1.383 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(N(C)C)nc2)CC1 1749303587 LFWXXZMTYPPTHR-GOSISDBHSA-N 461.592 1.277 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)C1CC1 1749532695 WAKLOCHOYJRDDN-FQEVSTJZSA-N 468.583 1.771 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1749659384 ATRMFIIMTIJRMC-FQEVSTJZSA-N 497.600 1.007 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](CNC(C)=O)C1 1749664496 OZTCTTQLCOLLAW-OAHLLOKOSA-N 477.363 1.351 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN2CCOC[C@@H]2C1 1749664762 ZCFQLLPYVURWFQ-HNNXBMFYSA-N 461.364 1.531 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2(C)CN(C)C2=O)C1 1749695459 CDPRUWDQWOYPEM-MBSDFSHPSA-N 488.614 1.455 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](COC)C1 1749721847 VIELMRIGDCFSNR-LJQANCHMSA-N 477.587 1.600 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](c2ccnn2C)C1 1749737903 AMNVUMBRXUFUCN-IBGZPJMESA-N 472.619 1.858 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1750967717 HJUDJZSYQIKURO-FQEVSTJZSA-N 485.614 1.045 30 10 JDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760132757 OEPQKFJBIWMERJ-HXUWFJFHSA-N 498.609 1.919 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(N2CCN(CC)CC2)nc1)[C@@H]1CCS(=O)(=O)C1 1760182996 NVPHUALYHBDFFZ-OAQYLSRUSA-N 499.685 1.788 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1760184352 WBOCLTXPUCKUMN-IBGZPJMESA-N 467.551 1.881 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2C[C@H]2CCS(=O)(=O)C2)n1 1760252000 JFWVPBSJEPVIRP-GOSISDBHSA-N 462.620 1.784 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(NC(N)=O)cc2)CC1 1760265311 WUVZBNFBMRJGFA-UHFFFAOYSA-N 478.557 1.019 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C)nc2)CC1 1760265452 BKMXMQGVMQVJIH-DEOSSOPVSA-N 452.559 1.648 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN(CC)S(C)(=O)=O)CC1 1760269401 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30 10 JDEE CNS(=O)(=O)Cc1ccc(CNS(=O)(=O)c2cc(Br)cc(C#N)c2)cc1 1208071432 DPPJEOQAAZCLPW-UHFFFAOYSA-N 458.359 1.848 30 10 JDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCCCS(C)(=O)=O 1286369354 NCPJUNHGHUGQPZ-UHFFFAOYSA-N 456.572 1.959 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286383960 FRWNEEDKUHXATK-FGZHOGPDSA-N 499.637 1.696 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286390200 YNLHMWHOAJJWEF-AZUAARDMSA-N 465.583 1.887 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCNC(=O)c1occc1C)[C@H]1CCS(=O)(=O)C1 1286395310 ZOOHEVCNGXAKIV-FQEVSTJZSA-N 496.593 1.612 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1286395768 NECHUWAACRJDTF-FQEVSTJZSA-N 485.610 1.669 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1ccc(C)c(F)c1 1286416084 VAFADKZFWLJLPL-UHFFFAOYSA-N 450.518 1.855 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)N(C)C)c1 1286432001 VHKLKHUEIZEEII-OAQYLSRUSA-N 467.595 1.588 30 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473.590 1.939 30 10 JDEE C=CCCCCn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286690883 XLSAXLYWGUHNQI-KSZLIROESA-N 487.605 1.552 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286762363 GFMCEUOJNZCQHE-REWPJTCUSA-N 460.600 1.957 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1286780041 ALACBEZTKOBQHM-MRXNPFEDSA-N 464.567 1.744 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1286785117 FIHZYVCSLYNWEH-LAUBAEHRSA-N 451.579 1.828 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](NC(=O)CC)C1 1286788127 QMNWPTAIHOXSBZ-IBGZPJMESA-N 481.605 1.249 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)OCC)CC1 1286789936 JDWKZDRLZPVEPN-UHFFFAOYSA-N 456.547 1.653 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1286792122 MXECCZDEEQTCSM-KRWDZBQOSA-N 458.538 1.992 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1300497273 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C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCS(=O)(=O)NC(C)C)c1 1358902606 TUSVPILJNZDSEW-HXUWFJFHSA-N 488.614 1.904 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H]1CC(=O)N(CCOC)C1)[C@H]1CCS(=O)(=O)C1 1358960138 YCGPVQGCEGRZHL-PMACEKPBSA-N 485.610 1.375 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCN(C)S(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1358964368 XVHJPTIEDLXVML-KRWDZBQOSA-N 473.665 1.165 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1359036655 DIKTYKKEDZDGIG-IBGZPJMESA-N 454.550 1.258 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC2CCN(CCN(C)C)CC2)CC1 1359037702 UEIBKQKQEBTCEB-UHFFFAOYSA-N 455.676 1.959 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)C)CC1 1359133207 NEKQSDAFSPYQRZ-IBGZPJMESA-N 470.640 1.124 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(COC)CCC2)CC1 1359164981 DPVHHGPLHTWJHK-GOSISDBHSA-N 453.609 1.974 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1359208094 FRIRRILRQJZEGJ-INIZCTEOSA-N 461.592 1.280 30 10 JDEE 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460.526 1.235 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCN1CCOCC1 1539315189 GUXWNVORFSBLJW-UHFFFAOYSA-N 473.581 1.767 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCCO2 1539324530 VMLZKQVIARBASC-LJQANCHMSA-N 454.552 1.853 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1cccc(C)c1 1539416652 RBIABXDGIXOOFP-FPOVZHCZSA-N 475.615 1.809 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1539416912 UXIORYNCQKTCSJ-SFHVURJKSA-N 455.544 1.100 30 10 JDEE C=C(Br)Cn1c(C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1539578827 CDMGDFYNCFEBLI-HZSPNIEDSA-N 476.397 1.622 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCNC(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539642579 QYYXKYAWMWJHGG-IMBTUZDBSA-N 460.579 1.966 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1539915842 DYBXFAOBMDZVQA-LJQANCHMSA-N 490.630 1.949 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1540872955 HQWHYOXVQFCLRT-IBGZPJMESA-N 480.617 1.135 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1540903096 YHPLOHZLHAWZAU-IRXDYDNUSA-N 480.635 1.209 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCC2)C1 1540916732 FRZKDPRHTPOYIP-INIZCTEOSA-N 457.622 1.290 30 10 JDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC(=O)N1CCOCC1 1587812773 BNHIXNVEQQGECH-UHFFFAOYSA-N 473.603 1.255 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1588053650 GSPUOXAJVLHENR-NVXWUHKLSA-N 465.601 1.450 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1588069091 HDTVUZKTKWRVOV-IRXDYDNUSA-N 475.596 1.241 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588070018 VFGUCGQWGYXXNM-UNMCSNQZSA-N 471.627 1.411 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(CC(=O)NCC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1589582008 YGLAGAFKWYSMCB-UWDQQESISA-N 490.649 1.558 30 10 JDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1589701283 WZIKAPKFJKVCRY-HXUWFJFHSA-N 468.606 1.733 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1594963080 PQBNZWDJEGPTPO-DLBZAZTESA-N 486.639 1.736 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncnn1-c1ccccc1 1595217670 ATGIQLVTBPARBD-IBGZPJMESA-N 484.586 1.418 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(NC(=O)CCC)CC1 1595516531 FZLVCLKHOMITTP-UHFFFAOYSA-N 468.558 1.904 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(C1)OCc1ccccc12 1595760792 TVGOZNAKZAHSAG-JOCHJYFZSA-N 459.572 1.653 30 10 JDEE C=C[C@H](C)ONC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1628287565 YWEHABYKBADBBF-ZANVPECISA-N 457.858 1.894 30 10 JDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 1630054083 OTFCFAATHVWYSU-GOSISDBHSA-N 450.561 1.289 30 10 JDEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCC(=O)NCCO)ccc1Cl 1631177142 XJQUKSRJQVEEOZ-UHFFFAOYSA-N 451.932 1.560 30 10 JDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCNS(=O)(=O)c1cccc(Br)c1 1644590477 BOWOWAMLXFWEAL-UHFFFAOYSA-N 459.362 1.921 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccc(C(N)=O)nc1)[C@H]1CCS(=O)(=O)C1 1689981990 FOAJCUCWDGKARW-SFHVURJKSA-N 480.550 1.123 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689992092 HILMRJZNMSZUKT-PMACEKPBSA-N 468.583 1.787 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCOC(C)(C)C1 1690088518 NZUYNXNONYNSHR-SFHVURJKSA-N 492.621 1.778 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)C(C)C)CC1 1690136967 MFKCDNXLBCNTHZ-MRXNPFEDSA-N 452.625 1.536 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1690183268 RQHMTWMEPWAUQP-MRXNPFEDSA-N 477.637 1.263 30 10 JDEE C=C(Cl)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690330079 CCMLMJRKJWPSCU-AWEZNQCLSA-N 473.024 1.922 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC(C(=O)NC)CC1 1690675794 FLACFSZNYSDKSY-UHFFFAOYSA-N 491.390 1.884 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOC2=O)cc1 1692662452 HUXBPKIIFZDJHP-DOTOQJQBSA-N 458.544 1.923 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CCSC(F)(F)F)C1 1698312209 CKYOTSQGBDRVJE-CYBMUJFWSA-N 468.527 1.604 30 10 JDEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCNC(=O)c2ccco2)CCO1 1698490640 FCJVWZRZUGINQM-CYBMUJFWSA-N 460.292 1.787 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN(C)S(=O)(=O)CC 1705485278 HBCYJXRSJVVZQX-MRXNPFEDSA-N 457.564 1.050 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1705565151 GDWQETQZKLRRQN-FUHWJXTLSA-N 456.572 1.190 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCOC1 1705626649 DMPOBVLUZUESPB-XMMPIXPASA-N 466.542 1.302 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCO[C@@H]1C 1705628368 DXKKUSRWJZVDCC-WZONZLPQSA-N 455.563 1.078 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(Cl)cn1 1705628427 GNPJBHTXTNFLQL-OAHLLOKOSA-N 453.952 1.394 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nc3cccc(Cl)c3n2C)CC1 1705632319 MEFZDYZDDDKPFD-UHFFFAOYSA-N 454.966 1.760 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)Nc2ccc(F)cc2)CC1 1705632713 ZUICMLHFFDMMMT-UHFFFAOYSA-N 462.489 1.458 30 10 JDEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCCNS(C)(=O)=O)CC1 1705643924 VKJJPFGGCOKXEH-UHFFFAOYSA-N 483.063 1.918 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CCC(C)(C)C)CC1 1705653846 QZSGXLLUNMPWQJ-QGZVFWFLSA-N 456.682 1.813 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1705905590 AHZYSGKHWLKDMO-UHFFFAOYSA-N 472.619 1.662 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1705937285 PAQRLBYCWMJFEN-UZLBHIALSA-N 452.602 1.915 30 10 JDEE CC(=O)N1CCCN(c2nnc(Cc3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1705979624 SVPOOBPMAFFPLI-FCQUAONHSA-N 481.532 1.593 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC(C)CC2)CCO1 1706047576 COXHZIWPBFSTHU-JOCHJYFZSA-N 451.575 1.890 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCN(C)C(C)(C)C1 1722292936 KMXPCSHIXQUBHB-SFHVURJKSA-N 472.663 1.722 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCS(C)(=O)=O 1722325080 DKLQYMQFYUVQCL-UHFFFAOYSA-N 453.590 1.090 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1722360522 UVFFOJLZECXXMD-MRXNPFEDSA-N 454.499 1.862 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1cnn(CCOC)c1)[C@H]1CCS(=O)(=O)C1 1722363886 CKUYEOQXFMTISB-NRFANRHFSA-N 486.573 1.526 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1722368053 YNBBAAWTQYWPOL-CVDCTZTESA-N 474.583 1.310 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1722370921 RZBOLXDROHENAG-BDTNDASRSA-N 493.674 1.751 30 10 JDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1722371955 NNBSZRBUJLJFHZ-PMACEKPBSA-N 471.583 1.569 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1722399706 FMJFYKHUZOVQEY-FQEVSTJZSA-N 460.586 1.830 30 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CC(C)NC(=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC(=O)NCC(F)F 1723576382 GFPRJERTWYCCFZ-UHFFFAOYSA-N 457.485 1.963 30 10 JDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)NC)C1 1740589731 AUUPAUZDTFWJNG-ZWKOTPCHSA-N 460.579 1.962 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1740615852 MLTMVPNXBUQHNN-OALUTQOASA-N 485.614 1.284 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1740617555 SUZNTSNTPNVPFD-FUHWJXTLSA-N 477.562 1.709 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1740619028 FJNRRWULLNLPAL-IEBWSBKVSA-N 490.582 1.395 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccnc(N2CCCCC2)c1)[C@@H]1CCS(=O)(=O)C1 1740626512 BICKNFADHIFWHC-HXUWFJFHSA-N 472.615 1.875 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1c(F)cccc1F)N(C)C 1740630165 GGGDSVVLZNUPSH-QAPCUYQASA-N 464.542 1.542 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1740671410 GQUHSMMETZVAEJ-FQEVSTJZSA-N 471.631 1.225 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1740700862 LGXLNBAEQPYBJZ-RACYCIBVSA-N 471.627 1.684 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nnc2n1CCCCC2 1740725696 TVEUXIQNUQIOGY-IIBYNOLFSA-N 460.608 1.441 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](OC)C2)cc1 1740967529 JHTFWKMZMKQQDS-VQTJNVASSA-N 477.587 1.449 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCS(=O)(=O)CC1 1740986711 FOQOQZURLRLXTP-UHFFFAOYSA-N 475.596 1.637 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C)n(C)c2=O)CCO1 1741104313 IBLPQPHYAGVJOP-NRFANRHFSA-N 461.526 1.214 30 10 JDEE COc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc(OC)c1OC 1748541188 HWYCGIIUMSOEJS-YCRPNKLZSA-N 479.534 1.696 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1748790244 GXKAFQMHGHOJPS-IAGOWNOFSA-N 484.623 1.230 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1748805725 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C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1300408965 DPQDFNBLOCYZGY-FQEVSTJZSA-N 494.568 1.629 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1300488282 CKTQUYSNJPDJFV-OAHLLOKOSA-N 471.917 1.607 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1300489814 STYOEVMJNRFGBM-GOSISDBHSA-N 460.556 1.770 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1300500693 CCBVABLHPNOQBU-PXNSSMCTSA-N 450.586 1.363 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cn2cccn2)cc1 1300557403 SKFJLNIWCFKNCV-LJQANCHMSA-N 465.583 1.644 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccc(F)cc1 1300631606 UEFPISDSSFCLFW-QFBILLFUSA-N 465.551 1.677 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C(N)=O)cc2)CC1 1300685411 MVAFSRBXVUERMC-DEOSSOPVSA-N 452.559 1.221 30 10 JDEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1300927548 NUAMNDSIMFWPJU-KRWDZBQOSA-N 471.949 1.910 30 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C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359202851 CUKWEGUCKHNFED-SFHVURJKSA-N 466.608 1.111 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(Br)o1 1359292188 JXJFCJHROXMQFB-LLVKDONJSA-N 475.369 1.182 30 10 JDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1ccc(C#N)cc1I 1462851938 UCVSDBNAFJMIAV-UHFFFAOYSA-N 456.284 1.911 30 10 JDEE N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 1464720479 AGGAKRJMIXFTNJ-PMACEKPBSA-N 459.499 1.717 30 10 JDEE N#CCC1(CS(=O)(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 1474895263 IEAGAQPSLNAFLF-UHFFFAOYSA-N 455.558 1.178 30 10 JDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3cnn(CCN4CCOCC4)c3)CC2)c1 1476204247 AEZSZRIOSGIPQJ-UHFFFAOYSA-N 451.531 1.970 30 10 JDEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCN(CC)S(C)(=O)=O 1495721446 BOECPFHUJOEZKU-QGZVFWFLSA-N 491.666 1.703 30 10 JDEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 1502359860 FWUSCCPASJINHN-HOTGVXAUSA-N 469.571 1.848 30 10 JDEE 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457.535 1.429 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCNC(C)=O)C1 1508119511 VGGVLBJVMCBXNZ-QGZVFWFLSA-N 451.531 1.500 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1508146013 TUTIFUQLNHCNQP-IAGOWNOFSA-N 469.608 1.876 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccnc1OCCOC 1539155301 UYPUDXIELJEJFU-UHFFFAOYSA-N 455.540 1.887 30 10 JDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1539171241 IYWPLNFLLODLFR-GOSISDBHSA-N 477.569 1.800 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCCCO)[C@@H]1CCS(=O)(=O)C1 1539212287 TZMQYSRCMRKKGF-LJQANCHMSA-N 474.583 1.896 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1539229412 CHVHRNBGOYDGSL-FQEVSTJZSA-N 455.584 1.578 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccnc1OCCOC)[C@H]1CCS(=O)(=O)C1 1539230274 FQRSLCJHWNQEEH-RBUKOAKNSA-N 475.571 1.225 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1539231485 VXPMRNACWPRSDX-IBGZPJMESA-N 459.620 1.251 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(F)cc(F)c1 1539266860 TYAGHGQVYIUKOB-IBGZPJMESA-N 463.510 1.205 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1539517647 QPLXIJZBSSFPAU-QGZVFWFLSA-N 486.685 1.484 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C)C1=O 1540201187 PORZZGDZQSUBDU-SBUREZEXSA-N 478.594 1.704 30 10 JDEE CC(=O)Nc1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)c1 1541018984 DFCYGDWZGKIUDL-HXUWFJFHSA-N 487.586 1.358 30 10 JDEE CC(C)(C)[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1541235845 CVPYYQHNURTQHL-JGCGQSQUSA-N 494.643 1.358 30 10 JDEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)c(=O)n1C 1542399325 ACXKIFPZBJZMMZ-UHFFFAOYSA-N 475.553 1.876 30 10 JDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CCN1CC(F)(F)F 1544754088 CFMDWSMOKKYZPY-AWEZNQCLSA-N 471.509 1.439 30 10 JDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1547259169 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C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(C)(=O)=O)CC1)c1ccccc1 1593788531 ABIYHVPSRKNDPO-GOSISDBHSA-N 464.613 1.907 30 10 JDEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1594533318 BNTPIJYNICIUQY-BHIYHBOVSA-N 481.644 1.872 30 10 JDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1595405457 PXTLKIHHJBLCBW-KRWDZBQOSA-N 465.601 1.186 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1595529937 NHLNIAQTTNPHFT-QGZVFWFLSA-N 465.493 1.577 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1595530078 RVSWENXOMUQNMQ-UHFFFAOYSA-N 462.558 1.738 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1595648590 FUBHFRSIOXKUIO-IUKKYPGJSA-N 491.614 1.886 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCN(C(=O)OC)CC2)C1 1595722132 JDHIDGFJAFJMOJ-QZTJIDSGSA-N 467.592 1.440 30 10 JDEE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1S(=O)(=O)N1CCO[C@H](C#N)C1 1661643965 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C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccsc1)N(C)C 1689966675 YHANFKWZHGMQMJ-IRXDYDNUSA-N 452.606 1.045 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1689984094 LDNZUXPFWLLUCK-QGZVFWFLSA-N 478.596 1.416 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1CC(=O)NCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689994090 QTTGWCAQSRTEIK-QFIPXVFZSA-N 483.638 1.996 30 10 JDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(OCC(=O)N(C)C)c1 1690015828 YSTAGMPLCZLFNA-UHFFFAOYSA-N 474.521 1.594 30 10 JDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1690172722 MEIPXCUCIFAWTP-NNWRFLSQSA-N 474.675 1.917 30 10 JDEE C=C(C)Cn1c(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1690298488 ZOABGYLTYBXPAE-RDPSFJRHSA-N 454.575 1.855 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)CC 1690555996 KGCYOQUURPOTOK-SFHVURJKSA-N 461.588 1.860 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1690632685 KVENHHBSFCNYLU-OAQYLSRUSA-N 487.674 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30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@@]2(O)CCC[C@H]2C)n1 1740689025 NZBZPGPQIPNPEQ-JPYJTQIMSA-N 450.547 1.769 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)CC1 1740709603 PLWWIDYGOWJGHG-KRWDZBQOSA-N 454.666 1.709 30 10 JDEE C=C(Br)Cn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1740749191 QKYSQNPUCFDITO-XAUMDUMWSA-N 470.412 1.996 30 10 JDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cnc2c(Cl)cnn2c1)C1CC1 1740907182 VOOSCSPLGGXTHB-CYBMUJFWSA-N 464.983 1.982 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC12CCC(CC1)C2 1740941913 WTNBNBCDJAVKBV-IDYZSHNDSA-N 453.609 1.830 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1740953386 DQXCWMFGYPPBGD-QUCCMNQESA-N 488.614 1.503 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCCCCO)C[C@@H]2C)CC1 1741058030 DCSDZKLLHAKMEU-GBXCKJPGSA-N 495.628 1.880 30 10 JDEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCN(C(C)C)CC1 1741696451 HAAXOVKCLBRQIU-UHFFFAOYSA-N 483.617 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464.551 1.280 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCCS(C)(=O)=O)CC1 1748979736 KNZSRZPCEGYNQN-UHFFFAOYSA-N 477.587 1.161 30 10 JDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1748993922 QOQKITXVTXRRFP-IBGZPJMESA-N 456.664 1.415 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1749009847 WHCBFEONKKVKKC-IBGZPJMESA-N 488.543 1.057 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccnc2OCCC)CC1 1749011066 ZRSXSAZGENYWCC-LJQANCHMSA-N 465.558 1.427 30 10 JDEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749047682 CLDIJNNABZVINP-INIZCTEOSA-N 484.561 1.895 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1749119525 TYUYYOFLFAKXHN-JKBKZWBZSA-N 496.678 1.559 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1749670128 RPKLPQMTYPRZRB-IXDOHACOSA-N 460.579 1.981 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1749671703 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C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(OC)ccc2OC(F)F)CC1 1760261180 HZTMHSFYULJIIN-INIZCTEOSA-N 495.552 1.594 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1760266474 ZRLKCJWZIYIDNH-FTJBHMTQSA-N 499.587 1.943 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC2(CS(C)(=O)=O)CC2)CC1 1760270073 IMZHNKVHRAXWFI-UHFFFAOYSA-N 487.601 1.799 30 10 JDEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760304890 KRKVEIWZIGOMRZ-UHFFFAOYSA-N 462.352 1.119 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760312726 CUXPPSHADVSWGI-MOPGFXCFSA-N 480.635 1.261 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1760427923 LMDRQLLVTHXRIO-LSDHHAIUSA-N 467.514 1.735 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(-n3ccnc3C)nc2)C1 1760535043 KQVQSOPSEKPUET-APWZRJJASA-N 486.602 1.607 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCCN(Cc2noc(C)n2)CC1 1760548259 BVVITGDNSUBZJW-MRXNPFEDSA-N 451.597 1.796 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1760551666 OAKGCCRJKMJFPF-UHFFFAOYSA-N 493.033 1.600 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)cc1 1760554575 HKDSNGSPOQTTKI-KRWDZBQOSA-N 468.601 1.426 30 10 JDEE CCc1nn(C)c(OC)c1Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1764678470 FXKBDIYWLMDOBC-KRWDZBQOSA-N 451.531 1.959 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1772566388 RABWHXJDDQHPAF-LJQANCHMSA-N 483.548 1.203 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)NCCNC(C)=O)nc1C 1858791440 HAPODDFWSIKLEM-UHFFFAOYSA-N 476.515 1.464 30 10 JDEE CN1CCN(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cccc(C#N)c3)cc2)CC1 1858987787 MFPJFSCIZSUVJA-UHFFFAOYSA-N 455.540 1.176 30 10 JDEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 1862709535 YGKMKDHGNTYVOV-LJQANCHMSA-N 456.407 1.945 30 10 JDEE CCOC(=O)N1CCN(C(=O)[C@H](C)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868783693 TZOHPOBTVYWPSW-WMZOPIPTSA-N 461.588 1.830 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ZPPAREYKRIJUNT-BBWFWOEESA-N 469.608 1.875 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1286832487 LOOYOHLDTKNXFY-LJQANCHMSA-N 496.703 1.234 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1297728933 AVTMZKOQIMBOJV-LJQANCHMSA-N 486.602 1.044 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1300384793 VSCKRRLVZDBWMP-CTNGQTDRSA-N 499.641 1.229 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCCN1CCC[C@H]1CO)[C@H]1CCS(=O)(=O)C1 1300488616 TVEAJEIHDJATLL-OALUTQOASA-N 460.604 1.137 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1300723061 PIKKDKGBWOUUHF-UNMCSNQZSA-N 471.650 1.512 30 10 JDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)NCC)CC1 1300743292 LNLRRZXTZXQYGQ-UHFFFAOYSA-N 457.560 1.478 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1300952066 HEZXBGXVZHGGHH-PKOBYXMFSA-N 482.651 1.564 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)COC)CC1 1301150841 BXKSWHLVRIYTJU-INIZCTEOSA-N 453.609 1.514 30 10 JDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1301259618 LUICBIDAZKRGQE-UHFFFAOYSA-N 455.563 1.431 30 10 JDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1301272562 HYIKTTKYDMUCAW-MSOLQXFVSA-N 462.620 1.780 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1301490414 SSIDSBWJSPPACZ-UHFFFAOYSA-N 472.977 1.976 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCc2ccccc21 1301589508 UDPMONYZRDJJKJ-HKUYNNGSSA-N 464.613 1.905 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H](C)CN1CCOCC1 1303753148 AFRNULXCKJAYIL-NRFANRHFSA-N 494.644 1.578 30 10 JDEE CCC[C@@H](C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1306547666 DPXFGLZPRCDGQX-MJGOQNOKSA-N 479.589 1.375 30 10 JDEE CCOC1CC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)C1 1314251658 HGAMUTFURQQVSB-SBGRQLAYSA-N 462.576 1.326 30 10 JDEE CNS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1315066342 DHSVOLRERIYPHX-FQEVSTJZSA-N 474.587 1.988 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1358959036 ANLVHUYKKNBBRO-NRFANRHFSA-N 455.584 1.830 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1358961881 GRJZGHZJPMCNNY-OTWHNJEPSA-N 462.620 1.120 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)NC1CC1 1358979747 WWTLDLVDJLXWQE-IBGZPJMESA-N 470.574 1.718 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCC(F)F 1359007266 BPGYVLJSYLSAPS-UHFFFAOYSA-N 457.485 1.906 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)Oc2ccccc2OC)CC1 1359029469 YTNUSMCNRUXLAI-MSOLQXFVSA-N 476.603 1.120 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCNC(C)=O)CC1 1359040450 VJLUUNIDXDRIJN-KDURUIRLSA-N 459.595 1.330 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCNC(=O)C(C)C)CC1 1359046031 BGWDKMIRRSUMSR-UHFFFAOYSA-N 450.587 1.915 30 10 JDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)NCC)CC1 1359052539 IONSAQZPMCLEDH-UHFFFAOYSA-N 456.572 1.298 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1359107932 YGJLDVYDVKFQSR-QZTJIDSGSA-N 477.635 1.959 30 10 JDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCN1CCOCC1 1359132210 QEKCAJQVJKKBGF-UHFFFAOYSA-N 453.547 1.955 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1359165022 FGRDHFBZIBNKLM-GOSISDBHSA-N 461.563 1.835 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1359188760 UQLZGONFDUGFKO-ROUUACIJSA-N 485.676 1.787 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1359291774 BMCIJAZYGGARRF-INIZCTEOSA-N 471.537 1.853 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCS(=O)(=O)N2CCSCC2)C1 1359319880 HSHFJQGQYAPFLI-MSOLQXFVSA-N 471.649 1.680 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1([S@](C)=O)CCC1 1360237512 HKLPYMMJLRHKFA-XIFFEERXSA-N 470.603 1.311 30 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476.647 1.194 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)cc1 1507672149 VDSWNSMHZBGXHN-FQEVSTJZSA-N 453.568 1.382 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NC 1507672382 YWXFIMOOPYHSIX-SFHVURJKSA-N 472.590 1.822 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C(CC)CC)N1CCOCC1 1507690858 YBWJKWUSRNNJFA-VQTJNVASSA-N 451.637 1.777 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(N3CCOCC3)cc2)CC1 1507718985 JCIDKFXJLBSYEX-OAQYLSRUSA-N 468.602 1.642 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(N(C)C)CCC2)CC1 1507734323 VBWKPFJAANQWRL-UHFFFAOYSA-N 457.623 1.647 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)OC)CC1 1507734829 ZLRSNOSVGONLIQ-INIZCTEOSA-N 459.572 1.349 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccccn2)CC1 1507752824 GYAGJBRXXURJTF-UHFFFAOYSA-N 453.572 1.124 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cs2)CC1 1507844954 TYVCQDSYSXTXRT-QGZVFWFLSA-N 466.633 1.864 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC(NC(C)=O)CC1 1507967660 MJMWJRMHLJWFGT-VIQWUECVSA-N 453.609 1.656 30 10 JDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCN(C(C)=O)CC1 1507980820 DIDIORQAFBZFLT-UHFFFAOYSA-N 480.661 1.429 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1508073968 ZVZSTLWPUKYUED-ROUUACIJSA-N 489.621 1.946 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1508084773 BYBTZHWTDFSDJY-UHFFFAOYSA-N 455.469 1.919 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1508087254 OGLIQWBIXOHCFF-SFHVURJKSA-N 454.506 1.770 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1508090116 CWUHYAVIXFOIHN-HNNXBMFYSA-N 490.362 1.136 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1508136831 HXJGMLHRWKAPKL-UHFFFAOYSA-N 454.556 1.836 30 10 JDEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1517761164 FZXZLHRTLMBHTP-MOPGFXCFSA-N 451.575 1.985 30 10 JDEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1539216176 OQEBWBCIMVXEOQ-INIZCTEOSA-N 475.596 1.488 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1539221324 ZRTGCIPPQQRPQY-HZPDHXFCSA-N 466.510 1.189 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1539344071 WUXBJVSTKAOGFY-HOTGVXAUSA-N 454.597 1.747 30 10 JDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1CCCO 1539371110 NVODFDZPECTZLO-WOJBJXKFSA-N 476.622 1.893 30 10 JDEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539730328 XLKFARACPOTYPJ-INIZCTEOSA-N 467.368 1.970 30 10 JDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1539872105 ZTNYANJKSUUTRV-SFHVURJKSA-N 453.547 1.823 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1540871788 UGNVXZFNILQQID-LJQANCHMSA-N 473.599 1.875 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1540897428 IXRGQHSYDOHRQV-OALUTQOASA-N 465.620 1.758 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](C(=O)OC)C1 1540903388 CPRMXPJHERIJNX-QGZVFWFLSA-N 472.571 1.507 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@](C)(O)c1ccc(F)cc1 1541920867 GFQFDCZSBGUIRL-VLIAUNLRSA-N 450.540 1.675 30 10 JDEE COc1cc(F)cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)c1 1554778674 BXXACGVMDOTKKB-KBXCAEBGSA-N 466.539 1.403 30 10 JDEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCC2(O)CCOCC2)CCO1 1555991927 ATIKPPXGYJABIC-CQSZACIVSA-N 451.325 1.696 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)cc1 1562197888 WOZRCENIDHEXRT-HXUWFJFHSA-N 459.572 1.911 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C)c1 1567461022 LXODMSOCOJIUSR-HNNXBMFYSA-N 453.561 1.459 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)c1 1583528918 SOOCDLBGDKXTEZ-UHFFFAOYSA-N 450.520 1.958 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1588029230 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C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c[nH]nc2c1 1595219267 SRDSTUXSIWUVCI-HXUWFJFHSA-N 471.587 1.908 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1595501206 NMJMMBLTSMRQGT-NRFANRHFSA-N 465.602 1.553 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1595755324 WAPZXQBTYKAUBT-QHCPKHFHSA-N 473.599 1.521 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccnn2C)CC1 1595884942 XFTADOMDTQRQON-LJQANCHMSA-N 495.675 1.648 30 10 JDEE C#CCN(C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)C1CCN(C)CC1 1645261433 MKCPLMLRJOBIJT-QRQLOZEOSA-N 453.605 1.213 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@](O)(C3(C(=O)OC)CCC3)C2)s1 1645552756 ZYVDAFVIHVYAJE-FQEVSTJZSA-N 456.586 1.452 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CC[C@@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689985904 FCQMKOYBUVCRIK-HZPDHXFCSA-N 457.478 1.934 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689988204 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C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCOC(C)(C)C2)C1 1690700390 RRIMEHKKIJQFEE-ROUUACIJSA-N 453.609 1.072 30 10 JDEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)C1 1690916549 AMZIHUIUBPAKIQ-LJQANCHMSA-N 486.598 1.658 30 10 JDEE C[C@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)CCCO1 1693842696 FGILSEGLCDXWCN-AZUAARDMSA-N 467.574 1.541 30 10 JDEE CC[C@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1(O)CCS(=O)(=O)CC1 1694131745 HEGZWYNCNYLEMY-SFHVURJKSA-N 472.615 1.930 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1696501138 BNVAPSXAUQCFQI-HXUWFJFHSA-N 497.629 1.881 30 10 JDEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=C)C)[C@@H]1CCS(=O)(=O)C1 1705566808 QIALBZKXQKHVHJ-LJQANCHMSA-N 455.588 1.655 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccsc2Br)CC1 1705633835 ZJNQCJNXQFFSIV-ZDUSSCGKSA-N 487.449 1.516 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCCC2)C1 1705737468 RTMRLPPVWPRYDV-IBGZPJMESA-N 483.635 1.743 30 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CC(=O)N1CCCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1722773416 FAHCFYYPIWXYAR-IDYLYPCZSA-N 457.535 1.105 30 10 JDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1740578577 DCOJXZRRBCQTCK-GOSISDBHSA-N 450.609 1.661 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1740793372 RJDQJRKUTHFACU-GOSISDBHSA-N 455.563 1.942 30 10 JDEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740870245 KQRVFXHHBVVXLG-UHFFFAOYSA-N 469.546 1.800 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1740954579 BMZFZAFLYIWWAU-SFHVURJKSA-N 464.574 1.156 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1740987697 LENTVFVCANNROL-IBGZPJMESA-N 452.544 1.851 30 10 JDEE CC(=O)N1CCC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCCS(C)(=O)=O)C1 1741031116 QGYJXZDELRVSDX-HXUWFJFHSA-N 488.614 1.858 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1748292017 FUIUQZKSNCEWEO-SFHVURJKSA-N 474.587 1.388 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1748823738 ARQMATSVBGCWDL-GOSISDBHSA-N 460.531 1.970 30 10 JDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1748935598 YSJJFLGVTLKQII-QZTJIDSGSA-N 490.655 1.933 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)COC)CC1 1749015874 QMSIOLHKRDMURI-MRXNPFEDSA-N 458.588 1.518 30 10 JDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1749027014 UZXOLAULWGQHRF-UHFFFAOYSA-N 465.587 1.734 30 10 JDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1)OC 1749326351 CCUYFEDDADWKOG-FQEVSTJZSA-N 476.541 1.299 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1749427058 KJOQEQGCSQPCHF-LJQANCHMSA-N 495.675 1.664 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1749676065 CLCRWSWMUAACIQ-UHFFFAOYSA-N 456.554 1.760 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(CN2CCC(O)CC2)cc1 1760119874 DZJJXPUTWQNTGR-IBGZPJMESA-N 450.587 1.863 30 10 JDEE C#CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1760135139 KBSHQWNOTBYZDO-FQEVSTJZSA-N 477.569 1.820 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1760155472 YZILQQCWGWJOAK-AQNXPRMDSA-N 465.620 1.667 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)Nc1cccc(Cl)c1C 1760175862 UAZAPJZVAMRFJB-GOSISDBHSA-N 495.005 1.671 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(N2CCOCC2)n1 1760211555 JDAAUWFWGPDBBL-RUZDIDTESA-N 464.570 1.673 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCN(C(C)=O)C1 1760227070 TUIBDYRIDAGLFW-LJQANCHMSA-N 472.615 1.913 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2cc(C)no2)CC1 1760251814 IBHHBYWUGVRIOA-UHFFFAOYSA-N 453.934 1.961 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCOCc2ccc(OC)cc2)CC1 1760252124 MCBQCGHJFBXXGQ-UHFFFAOYSA-N 452.559 1.495 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(C)c(OC)c2)CC1 1760261465 MFHYNVOQZPEQDO-FQEVSTJZSA-N 457.600 1.495 30 10 JDEE 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C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 1477514480 NRNCMRZLBLQXKP-UHFFFAOYSA-N 458.559 1.834 30 10 JDEE Cc1cccc(C)c1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1492485951 DYEXMMGWSGYOLF-KNQAVFIVSA-N 476.578 1.913 30 10 JDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1503724345 ARFDYLCMNRVKLO-VGSWGCGISA-N 471.587 1.061 30 10 JDEE COc1ccc(OCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)cc1 1504317864 FGZCGTDVESZYNP-FQEVSTJZSA-N 490.586 1.439 30 10 JDEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507591441 NSGOLYQZQGLKOY-UHFFFAOYSA-N 454.550 1.402 30 10 JDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCNS(=O)(=O)c1ccc(C)s1 1507604506 DRKOYNRHIFOHBH-UHFFFAOYSA-N 459.557 1.343 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1507633454 DYFPKBABOXKJJG-SFHVURJKSA-N 454.556 1.798 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1507722444 XKYMCBLBLUVQBW-QZTJIDSGSA-N 497.666 1.193 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)CN2CCOCC2)CC1 1507740588 VPCZOBOHHHMQAS-FQEVSTJZSA-N 465.602 1.198 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@@H]1C)C(C)C 1508013831 RHKXNSOBQRCGHK-XUVXKRRUSA-N 478.663 1.546 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCN(C(C)=O)CC1 1508150094 ZNFMERGSJDFCCK-UHFFFAOYSA-N 461.588 1.689 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1539212346 VHOFRIFHCXXKGY-IRXDYDNUSA-N 464.519 1.328 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2ccc(OC)cc2)CC1 1539447362 QYMVJQZDNNORSI-FQEVSTJZSA-N 457.600 1.577 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC(C)(C)O)CC1 1539470474 QXAQFBYWASQQIC-UHFFFAOYSA-N 471.558 1.708 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](C)N(CC)CC)CC1 1539474226 MABXREWWIKNKBS-LJQANCHMSA-N 490.616 1.617 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1539483119 ZJDFPDRVPGQFFU-SVFBPWRDSA-N 472.634 1.636 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1539484449 PNZPSXXOCRSTEI-FQEVSTJZSA-N 469.611 1.464 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCC(=O)NC 1539626377 DOBAHUOQDRIDED-KKSFZXQISA-N 465.558 1.746 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1539706447 IBBHABPOSPQREW-IRXDYDNUSA-N 454.597 1.072 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1540871242 HJHIBBKMWLOGFT-OAHLLOKOSA-N 495.552 1.249 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H]([C@@H]3CCCO3)C2)cc1 1540877006 IFWWJULPJAXHKL-YYWHXJBOSA-N 491.614 1.886 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@@H](C)C1 1540881099 YJMFPWHEPBXADX-RXVVDRJESA-N 491.614 1.839 30 10 JDEE CCN(CCn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C(C)C 1547587191 AXIVWMUJTOPFLA-IBGZPJMESA-N 455.611 1.753 30 10 JDEE COCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1555220336 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1588947319 NRUIGUYURVTEOQ-RTBURBONSA-N 462.620 1.011 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)CN2CCCC2)CC1 1588961572 DYDSYHZLHFIPBV-UHFFFAOYSA-N 469.634 1.488 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCOCC2)CC1 1594626226 KNGYMODLSQOVBZ-HXUWFJFHSA-N 482.651 1.268 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1595115887 NBNVMEAYAPSRIM-UHFFFAOYSA-N 456.572 1.811 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1595522381 CUAPHWUNMITCRY-NRFANRHFSA-N 497.644 1.487 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1595550300 CCHMPPZFDZXPCV-RTBURBONSA-N 459.572 1.278 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1595785309 WQYIJFTWXDOAQH-UHFFFAOYSA-N 455.544 1.231 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1 1596184938 YJZGJRPIHAJSHG-BIBRTQAFSA-N 463.542 1.837 30 10 JDEE CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1596925465 GCVOINKMHBKOIR-FQEVSTJZSA-N 479.585 1.807 30 10 JDEE C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 1618171167 NOTSOBBEMSEALL-OAHLLOKOSA-N 456.528 1.412 30 10 JDEE Cn1c(=O)c2cc(C(=O)N3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)sc2n(C)c1=O 1618704500 AHTLGEJXEOGKPE-INIZCTEOSA-N 457.943 1.975 30 10 JDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCNc2ncc(Cl)cc2Cl)CCO1 1620356623 DQKSBCLZOHNTLT-AWEZNQCLSA-N 465.345 1.943 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)OC)c2ccc(OC)c(O)c2)ccc1F 1625552992 KHCVHLWAFCLOGT-SFHVURJKSA-N 452.460 1.648 30 10 JDEE COC(=O)[C@@H](NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1ccc(Br)cc1 1653761526 CIRXRPCULSFYFV-MJGOQNOKSA-N 451.365 1.945 30 10 JDEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)CCn1nc(C)oc1=O 1662170765 KNNBKURAEGDIKM-OAHLLOKOSA-N 456.318 1.696 30 10 JDEE C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)C1=O 1667315071 CLNQEQLFVHJREE-JTDSTZFVSA-N 450.561 1.735 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1681943872 VIPREVJUPUVFMQ-KBXCAEBGSA-N 451.574 1.688 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1689853043 OHIYHUJGVAZKBD-HCXYKTFWSA-N 452.625 1.189 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689981760 ASXGKINMTFIACV-HXUWFJFHSA-N 469.567 1.375 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1689993684 JLQFVOLMLZSEEY-QGZVFWFLSA-N 478.525 1.425 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1689995821 AUGAZRSEOUFZCZ-HXUWFJFHSA-N 492.561 1.807 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1690662332 ZMTASZXIQXTGMI-UHFFFAOYSA-N 497.600 1.991 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3nccc(C(C)C)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690678010 IARLJWYKGNFFHA-VWLOTQADSA-N 498.632 1.861 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC(F)F)cc1 1692799642 HXOQWWWVDDLNLN-DOMZBBRYSA-N 456.475 1.267 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCOC[C@@H]1OC 1694347422 GUVBYOBIASCSON-CTNGQTDRSA-N 496.616 1.841 30 10 JDEE COCCN(CCC#N)c1nnc(-c2c[nH]c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1698060594 HQONHCIZGAXNRC-UHFFFAOYSA-N 472.571 1.733 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2c1OCCCO2 1705494480 ALZWAZLKFMXXML-QFBILLFUSA-N 475.571 1.279 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1705560606 IPXHACDGDDQANK-XMSQKQJNSA-N 468.620 1.761 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1705566562 PDOZZIZBBIUVQY-VVBPWWLESA-N 477.587 1.430 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1csc(C(C)C)n1)[C@H]1CCS(=O)(=O)C1 1705568730 UIYXXBYZUCIAFU-SFHVURJKSA-N 490.655 1.850 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1705569017 YITXRRKNZNXGDS-PMACEKPBSA-N 459.620 1.107 30 10 JDEE 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CC(=O)N1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C#N)o2)CC1 1540980303 VLIHSQAZASDELL-UHFFFAOYSA-N 454.512 1.530 30 10 JDEE CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CC1 1541069266 BYGRPJQDVVSXNB-UHFFFAOYSA-N 495.628 1.928 30 10 JDEE COCCOCC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(=O)NC1CC1 1548369458 GFYKQRPEFATHEF-GOSISDBHSA-N 454.449 1.536 30 10 JDEE N#Cc1cc(S(=O)(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)ccc1C(F)(F)F 1561263869 GYSBZPRERQOWQH-ZDUSSCGKSA-N 455.480 1.344 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 1585000034 KXTDYGNPLRAEEG-QFIPXVFZSA-N 450.505 1.725 30 10 JDEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1588040339 LQPWNTYTQMHXCK-KRWDZBQOSA-N 475.571 1.115 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1CC1CCN(CCN(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1588053408 FAKKOTCFDOEXPX-QFIPXVFZSA-N 476.691 1.836 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2CCOC[C@@H]2C1 1594788486 NJHLHSGPXDCVMM-IBGZPJMESA-N 461.588 1.462 30 10 JDEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCCS1(=O)=O 1595217754 BVOHERSTEBEHJZ-UHFFFAOYSA-N 472.619 1.666 30 10 JDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1595314134 HFANAHKWQJLDMO-HKUYNNGSSA-N 452.563 1.490 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1595466763 MSWXUYOGQSSIAC-QZTJIDSGSA-N 459.595 1.338 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1595501411 SMEJCJOGUBRYLZ-UHFFFAOYSA-N 474.009 1.891 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1595506908 QBKAXNHAPMQQNQ-FQEVSTJZSA-N 497.644 1.869 30 10 JDEE C=CCNC(=O)Cn1c(N2C[C@H](CC)[C@H](N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1595595148 SUGOYEGXARNQPS-ROKPMTFOSA-N 476.622 1.168 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1595812507 WMBKUVXGMHKLSR-ICSRJNTNSA-N 460.604 1.022 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)c1 1625081274 PYVBRXXGSMRMDW-UHFFFAOYSA-N 455.536 1.524 30 10 JDEE C=CCOc1ccccc1CN(C(=O)CNC(=O)CNC(C)=O)c1ccc2c(c1)OCCO2 1627421191 KDSQKCGPZSJUMU-UHFFFAOYSA-N 453.495 1.808 30 10 JDEE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 1646094725 ARBRVONRJHWLLH-LJQANCHMSA-N 455.540 1.927 30 10 JDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)CCCc2ccc(C(F)(F)F)cc2)CC1 1665750270 KEFHKVSDLPWHLU-UHFFFAOYSA-N 453.508 1.053 30 10 JDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 1666567468 XXNFLGOFWMZYJP-RTBURBONSA-N 454.570 1.240 30 10 JDEE CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)N(CCC#N)CCN1CCOCC1 1674969062 GRNYFDBZVRAIIZ-UHFFFAOYSA-N 458.968 1.843 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC(C)C 1689853530 VCQBOJJQOLQDJF-IAGOWNOFSA-N 484.623 1.372 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689978301 RRXSXWCKXXPZRT-GOSISDBHSA-N 471.587 1.038 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(OC)CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1689993628 IORTTZFTPKHGPH-KPRXVCGWSA-N 477.631 1.623 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCC[C@@H](C)C1 1690077593 RWPJYYBFBDDVRM-WOJBJXKFSA-N 466.652 1.583 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](CC)N2CCCC2)CC1 1690115036 PFCLXBXYIHMGNS-NRFANRHFSA-N 470.643 1.978 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](OC)C2CC2)CC1 1690125014 YRBWXHDPNZKYPC-VQTJNVASSA-N 474.606 1.767 30 10 JDEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)CC1)c1ccccc1 1690442276 PUSKRGAQGVRULS-XLIONFOSSA-N 460.604 1.917 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1690470625 HEVRGCMFGXQJDI-LJQANCHMSA-N 467.684 1.849 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1690632878 VQUJHJOKQZJOBL-UHFFFAOYSA-N 453.590 1.300 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1690670636 GFMXVVRKTPJLEL-IPMKNSEASA-N 492.621 1.935 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCOC[C@H]2C)C1 1690700052 NBDWGGVHYSSMOW-HCXYKTFWSA-N 469.608 1.065 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1705510665 VRAKWDHMAQHSLE-VQIMIIECSA-N 462.624 1.817 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1705559136 RZVDRWYJRAYXOH-AEFFLSMTSA-N 467.661 1.966 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1CCN(C(=O)OC)CC1)[C@@H]1CCS(=O)(=O)C1 1705566086 XOPSQBLGISWPRY-OAQYLSRUSA-N 496.593 1.922 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1705566208 ZTBRQIDEOQGERA-SFHVURJKSA-N 469.542 1.941 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCSCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705566736 PSHFNILJXOUVKK-STQMWFEESA-N 465.523 1.151 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1705569684 JEBFIOYNENYHJV-FQEVSTJZSA-N 466.567 1.733 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccccc1CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705570445 NVKDYGQLLXCONI-HSZRJFAPSA-N 485.654 1.984 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCO[C@@H]1C 1705574855 PFNIPLWTOJEKPX-VGSWGCGISA-N 456.572 1.159 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)OC(C)(C)C 1705626590 BUPZEDFBQCSWOB-UHFFFAOYSA-N 481.557 1.803 30 10 JDEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCCS(C)(=O)=O 1705721712 RVDHCOWUYJQEMB-UHFFFAOYSA-N 454.622 1.994 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)[C@H](C)C1)C(C)C 1705868968 HSGIRDAVDSWYAD-VAMGGRTRSA-N 478.663 1.546 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705895987 ZDIUYVMITQLPNR-OAHLLOKOSA-N 469.514 1.862 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1705896271 HKGYRBQJOAKYFT-UHFFFAOYSA-N 496.597 1.076 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1705900382 AUZNRYLOQHUMKQ-QGZVFWFLSA-N 458.567 1.817 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1705904922 COWLFFFBWWRHPS-GOSISDBHSA-N 455.563 1.917 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1705924526 DZKXDVQGVAYCOZ-IAGOWNOFSA-N 467.617 1.912 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1705931994 HLNLQOSRWRQGKS-UHFFFAOYSA-N 454.560 1.366 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1705934212 FIVLAXHRCDVPFZ-PGRDOPGGSA-N 459.572 1.236 30 10 JDEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCNC(=O)CC1 1705943419 ADNDGZIALIITIS-UHFFFAOYSA-N 453.572 1.920 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCCCC1 1706619311 BQWDQCQUBMTKCQ-UHFFFAOYSA-N 451.579 1.495 30 10 JDEE Cc1ccc(C(=O)NCCn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)cc1F 1707316720 HFURNWRHWXYIOP-QFIPXVFZSA-N 457.485 1.720 30 10 JDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCn2cc(Br)cn2)CCOC1 1710482280 CQWSVONXOSZQOK-QAPCUYQASA-N 466.340 1.318 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1722281343 YDSUJIYZFLLKEM-UWVGGRQHSA-N 467.905 1.800 30 10 JDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1722341901 OLDKJFHHRHWGTK-SNJCGAMXSA-N 472.634 1.794 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CCOc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1722359537 TXWCGKVLPXTXIO-QGZVFWFLSA-N 494.639 1.685 30 10 JDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1722366651 SBHXIVIQCLKVCO-WBVHZDCISA-N 467.979 1.726 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1oc(CCC)nc1C)[C@H]1CCS(=O)(=O)C1 1722370292 MYYIPAMEGXPXBX-WFXMLNOXSA-N 491.614 1.926 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCOCC2)CCCCC1 1722389898 NNYNCYBJYAUIOH-FQEVSTJZSA-N 476.647 1.386 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CCOCCS(C)(=O)=O)CC1 1722435168 COGZHPKTKFPQQD-UHFFFAOYSA-N 468.583 1.310 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1722452991 YWSIIMNRMOQEAV-SFHVURJKSA-N 490.655 1.526 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1722453163 OPBFYHKUJMBMSD-OAQYLSRUSA-N 495.653 1.710 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cccs1 1722474361 NVOOPRJWZQDUHC-ZLGUVYLKSA-N 479.628 1.572 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(c2nccs2)CC1 1722702089 CYJUYTUEVMODEP-WMZOPIPTSA-N 461.592 1.478 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(C(F)(F)F)CC1 1722733090 XAEZUWVUJNMKKD-LBPRGKRZSA-N 457.544 1.701 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N(C)C)Cc2ccccc2C1 1723910340 FIRIJEUTVDVXEM-DLBZAZTESA-N 459.620 1.726 30 10 JDEE CC1(C)CCC[C@]1(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1724020581 CKXSTNXCVLPVTH-UTKZUKDTSA-N 466.608 1.292 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c(c1)CCO2 1740549704 GPOIPSGYNMZTQD-JXFKEZNVSA-N 459.572 1.247 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(F)c1 1740610180 UDZHVKPLNAWREF-QAPCUYQASA-N 451.524 1.287 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1740620618 FQEGXQQSXGDVQM-FOIQADDNSA-N 450.561 1.579 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1CCNC(=O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1740625068 NOEZYCJZUWSWQQ-GOSISDBHSA-N 459.572 1.661 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1740626012 RDJWIUIGPGSFCU-MJGOQNOKSA-N 473.574 1.549 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1nc2ccccc2[nH]1 1740648081 BZASMCSYJSYGSH-QGZVFWFLSA-N 453.572 1.860 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCNC(=O)C(C)(C)C)CC1 1740696640 ZJHSFEOWGBLNPC-UHFFFAOYSA-N 479.633 1.370 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(C)CN(C3CC3)C2=O)CC1 1740700752 GTDQPEOGVOPUQF-VWLOTQADSA-N 483.617 1.173 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccccc1OC 1740947172 QGUKCTNIQSWMFL-GOSISDBHSA-N 451.549 1.321 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1740952069 UBAWCPYJPHYOSW-CVEARBPZSA-N 499.638 1.026 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(C(N)=O)C1 1740968321 HTPLFNFDNCJCBG-YCRPNKLZSA-N 462.576 1.203 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1740985354 FXBAEPWTBKXIAZ-SJORKVTESA-N 460.560 1.532 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1740988771 OULZNTYUBHSNCR-RXVVDRJESA-N 470.599 1.574 30 10 JDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1747530262 GDSFHQVKDKROJP-UHFFFAOYSA-N 464.574 1.086 30 10 JDEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)C1 1748143081 DRBWZNRWHYRPGW-RUZDIDTESA-N 481.601 1.802 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1748693176 ZUJJOGXGVHRBBF-ROUUACIJSA-N 457.556 1.273 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1748943536 AFXHVNGHLBKJFY-PKTZIBPZSA-N 492.573 1.259 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@H]2CCCS(=O)(=O)C2)n1 1748970615 LTXRNJKDFMFKOT-LJQANCHMSA-N 485.614 1.591 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1748972279 FAWZSUQDUDBTCL-SFHVURJKSA-N 488.543 1.037 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C)c(OC)c2)CC1 1749001514 VAKCOTPARVYGTK-UHFFFAOYSA-N 452.559 1.747 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2nc(C)cs2)CC1 1749014556 KOADNJQXEUCVDF-CRAIPNDOSA-N 490.655 1.715 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCSCC)CC1 1749014755 NGCCVXZOVQAOBR-KRWDZBQOSA-N 453.634 1.289 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccnc(OC(F)F)c2)CC1 1749015514 FUFFFBGFGLKHFL-UHFFFAOYSA-N 487.511 1.411 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1749018810 GALMNJHHPBLIMS-RBUKOAKNSA-N 480.560 1.451 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCC(F)F 1749053515 IFSSCDQQFIBPFS-VBKZILBWSA-N 468.530 1.968 30 10 JDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1749199262 LFYMEIHHFXKNBP-UHFFFAOYSA-N 458.588 1.921 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Br)n1 1749488392 JPCDMWABLSRSNQ-AWEZNQCLSA-N 471.381 1.439 30 10 JDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CCO1 1749576014 DWOVEPZCWRCYKC-VQTJNVASSA-N 475.571 1.548 30 10 JDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1749595872 LWCGWPWCNMMXGS-PKOBYXMFSA-N 463.608 1.522 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1749664543 RENIWJBGDPNZHQ-PGRDOPGGSA-N 463.590 1.895 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCOc1ccc(Cl)cn1 1751208678 DXCQHXCZCRYGRK-CYBMUJFWSA-N 453.956 1.756 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760191168 BYIPMJMOLHFHNS-AZUAARDMSA-N 459.620 1.249 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760312903 GLITUYDSQCPWBM-GHTZIAJQSA-N 482.589 1.117 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1760450399 KFWHDAZWYLTKDX-UGNRZPKXSA-N 454.593 1.546 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CC 1760480214 OEOKKYYSIWEPEO-NFBKMPQASA-N 488.614 1.836 30 10 JDEE C[C@H]1CN(C(=O)NS(=O)(=O)c2ccc(CNC(=O)c3cccc(C#N)c3)cc2)C[C@@H](C)O1 1858661864 QQPNFGJCGNJAGC-IYBDPMFKSA-N 456.524 1.996 30 10 JDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NC2CCCC2)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865718473 LGTHLQDXOYJDKA-QGZVFWFLSA-N 452.511 1.402 30 10 JDEE CCN1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCN2CCOCC2)CC1 1870348395 WRWNTMAUOSCACS-UHFFFAOYSA-N 465.598 1.769 30 10 JDEE CN1CCN(CC#CCOC2CCN(C(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)CC2)CC1 1890424717 NPLAMLBUSGDLTG-FQEVSTJZSA-N 482.581 1.027 30 10 JDEE C#CCN(C(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2009891373 DXRSJYYZMXEIBN-MOPGFXCFSA-N 450.557 1.745 30 10 JDEE CC(C)(C)OC(=O)N1CC[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 2127628193 AMRCQKPGCMHZKV-QROFKTNTSA-N 452.357 1.268 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H](CO)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247880721 KGVUKGIJCWLRKC-ZDUSSCGKSA-N 462.399 1.211 30 10 JDEE Cn1nc(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255817421 VAHOTHMUJIGILS-UHFFFAOYSA-N 454.764 1.969 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2255844372 VWASVQQJMHVKBB-GXTWGEPZSA-N 453.370 1.400 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CO1 2267141396 JYRGNQQDBMAUDJ-KBPBESRZSA-N 450.345 1.369 30 10 JDEE COc1ccc(S(=O)(=O)NCCONC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267411915 FZKWMNIFWVYKGE-UHFFFAOYSA-N 472.369 1.729 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)=C[C@@H]1O 2268716992 IEQGLWITZWGKTP-GJZGRUSLSA-N 465.381 1.643 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CCO 2281810795 UPCHOLBZJPZAPD-MRXNPFEDSA-N 461.368 1.825 30 10 JDEE C[C@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C 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456.476 1.866 30 10 JDEE COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(Cc3ccccc3)c2=O)c(Cl)c1 619539254 KDHSKHIFOGZHLK-UHFFFAOYSA-N 495.988 1.982 30 10 JDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCCN2CCCS2(=O)=O)c1 726073976 MJFWRRKDXYUPRG-FXBPSFAMSA-N 457.578 1.047 30 10 JDEE CC(C)n1cc(C=NNc2nnc(SCCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n2N)cn1 1084394844 ULTZRWDSYTWNOI-UHFFFAOYSA-N 482.530 1.220 30 10 JDEE C=CCn1c(S)nc2cc(C(=O)NC[C@H]3CN(Cc4ccncc4)CCO3)ccc2c1=O 1161712756 GTFUDTHWBRRXBN-SFHVURJKSA-N 451.552 1.897 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2nnc(CC)s2)c1 1190060644 CDEFRJKMFBLIOA-OLZOCXBDSA-N 451.574 1.958 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](Cc2ccccc2)c2ccc(OC)cc2)CC1 1251641564 NKQOTEWYYNJIGU-JOCHJYFZSA-N 456.568 1.774 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)C2CC2)c1 1286310149 XGRPAJZQMXSVBJ-IVZQSRNASA-N 474.587 1.106 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1csc([C@@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1286379829 CQSSLAZXUXAPNH-NVXWUHKLSA-N 492.627 1.353 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1COc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 1286386135 VJQRWRKTOSJYKQ-GBESFXJTSA-N 490.582 1.469 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1CCS(=O)(=O)CC1)[C@@H]1CCS(=O)(=O)C1 1286388483 PUXINCPIEJQQOB-LJQANCHMSA-N 492.623 1.405 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCS(=O)(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286388607 ADIGWWCVCUROJF-QGZVFWFLSA-N 479.628 1.489 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(N2CCOCC2)CCSC1 1286398425 WZMJZADSZIOFAZ-QHCPKHFHSA-N 465.583 1.206 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1286509656 VUURKLFXFOQMLI-MSOLQXFVSA-N 485.676 1.761 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(OCCOC)CCOCC1 1286516750 LJTCNESXSCLLGT-FXAWDEMLSA-N 469.608 1.093 30 10 JDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1286714462 PSKGSJGBCAEWDM-UYAOXDASSA-N 462.620 1.802 30 10 JDEE 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1301492294 DDIGLGAPPACGCS-CYBMUJFWSA-N 471.871 1.801 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1301497130 PEACVHFJPLLTMJ-HZPDHXFCSA-N 461.592 1.544 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(=O)OC)C1 1301589895 ZOXBOIDTQQPHRI-QFBILLFUSA-N 476.555 1.781 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(F)cn2)CCO1 1315015023 DQLAOIZMFAUCDL-IBGZPJMESA-N 451.462 1.262 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C(=O)NCCN3CCOCC3)[C@H](C)CC)cc2C1=O 1353675829 QLBXGFSOTIHRGX-OXQOHEQNSA-N 456.543 1.062 30 10 JDEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1358934707 KTIJLMMRRDNRLO-UHFFFAOYSA-N 452.559 1.752 30 10 JDEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1358936501 PCHTZIYXMFRZRY-RTBURBONSA-N 456.591 1.537 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Oc2ccccc2)nc1 1358948703 IZBQAHOHBSCEEC-HXUWFJFHSA-N 482.566 1.916 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCn1cc(CO)nn1)[C@@H]1CCS(=O)(=O)C1 1358959555 LFUNRAVNMOHEMQ-QGZVFWFLSA-N 489.989 1.399 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1358959987 UFXXBLDALMBPNA-HXUWFJFHSA-N 485.610 1.983 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1cccc(OCCC)c1)[C@@H]1CCS(=O)(=O)C1 1358962118 KNTOHNIQNWXGFB-CTNGQTDRSA-N 485.610 1.887 30 10 JDEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1358962343 OCYGHDYHCSGZEH-QGZVFWFLSA-N 498.609 1.727 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)N1CCOCC1 1359089602 LOEABIUYLNDQMR-FXAWDEMLSA-N 469.546 1.202 30 10 JDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1359289176 HXFYFSJBCYUBPN-MJGOQNOKSA-N 471.631 1.835 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359329235 CJAVKGFJSPLGQW-IBGZPJMESA-N 486.019 1.609 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1359332172 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C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)N(C)C 1540121684 VHRLKUDTUMOBER-UHFFFAOYSA-N 471.587 1.470 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1540874730 PYUHKNWMYIVKBU-NRFANRHFSA-N 478.601 1.247 30 10 JDEE C=CC[C@H]1CCCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1557407788 QYLYZGIYEHPRRW-RDJZCZTQSA-N 451.545 1.185 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1587931989 HZIPKDAVJSMBSV-RTBURBONSA-N 474.631 1.764 30 10 JDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCN(CCN(C)C)CC1 1587975386 ZFDLCYCACIOUIE-UHFFFAOYSA-N 462.602 1.535 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1588024344 AJLGEPVUFCXNLD-INIZCTEOSA-N 462.601 1.208 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 1588024758 KZLSTRNMUNSXOM-IBGZPJMESA-N 476.647 1.405 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1588025011 RAKBWQWXLLRPEQ-IEBWSBKVSA-N 489.573 1.747 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1588069055 GGAOYKWOGSQLOX-IBGZPJMESA-N 458.584 1.961 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC[C@H]2COCCO2)CC1 1588954283 CYGOFVNUEZSCMH-QHCPKHFHSA-N 481.597 1.843 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCSC2)CC1 1588961700 JIQHKOXKXWYFGM-MRXNPFEDSA-N 472.640 1.989 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1588975358 GJQJQRBTCVWGBV-RTBURBONSA-N 469.615 1.839 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1593637123 XBWBKYKAMZTFLS-IBGZPJMESA-N 465.576 1.841 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1595556311 QYAXGRNMDTVKIP-UHFFFAOYSA-N 460.517 1.903 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1595602445 KJYDGZYBQQPMIH-QMHKHESXSA-N 475.594 1.615 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1595602940 VAGWDMOKWYXUQY-DENIHFKCSA-N 487.649 1.243 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1595811989 JLRYBSANTGIWPL-SFHVURJKSA-N 480.660 1.393 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CCNC(=O)C(C)(C)C)CC2)c1C#N 1612469886 HJOUEEUFRBWMCX-UHFFFAOYSA-N 455.611 1.978 30 10 JDEE C=CCN(C(=O)c1nc(S(N)(=O)=O)c2ccccn12)[C@@H](Cc1ccccc1)C(=O)OCC 1616306398 ZJOUZTDMEZQIDA-SFHVURJKSA-N 456.524 1.784 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccs1 1619912474 DSQZUOWOBRILRQ-BEFAXECRSA-N 453.590 1.516 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)CC1 1632966180 KBBYDBCPPYRIQR-UHFFFAOYSA-N 453.874 1.168 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)cc1 1645591373 IUXDLLWOVCGYSJ-UHFFFAOYSA-N 454.552 1.230 30 10 JDEE N#Cc1ccc(N2CCN(C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)cn1 1666308392 CSHUMGWOPZEXQS-UHFFFAOYSA-N 456.528 1.328 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCNC(=O)c2cc[nH]n2)c1 1689871644 AXDSZLSDFPBUFF-UHFFFAOYSA-N 483.536 1.473 30 10 JDEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CCOCCOC)[C@@H]1CCS(=O)(=O)C1 1689982097 HQYBQZWUGUOLIQ-GOSISDBHSA-N 497.415 1.997 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cc(F)ccc1OC)[C@H]1CCS(=O)(=O)C1 1689995864 BHBCCNDOSONFPW-FQEVSTJZSA-N 486.573 1.962 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1cc(Br)cn1 1690013439 OKNUYCARSJZIIQ-UHFFFAOYSA-N 491.353 1.924 30 10 JDEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1690025383 OOTDZVQVLNRKHK-HXUWFJFHSA-N 455.584 1.971 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCC(=O)NC1CC1 1690043190 SMHLPLNNOZFBCF-UHFFFAOYSA-N 467.599 1.760 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2C[C@@H]2CCCCS2(=O)=O)n1 1690109636 YPCUWWHLIYGJIN-FQEVSTJZSA-N 460.604 1.996 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CSCCS2)CC1 1690137883 KUFOCDUCTXDQLT-AVRDEDQJSA-N 479.672 1.745 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@](C)(O)CCOC)CC1 1690140352 WFRXMKPVKXKLNI-DEOSSOPVSA-N 455.559 1.707 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)N(C)C1CCCCC1 1690189782 BNPPZYCPNCILMI-IIBYNOLFSA-N 450.609 1.672 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C(N)=O)c1 1690265412 OFDNAMAUAHADPD-IBGZPJMESA-N 476.603 1.355 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1690364641 UZINPUVRZRFQHT-LSDHHAIUSA-N 466.530 1.308 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2ncccn2)CC1 1690665567 IDWRCYVCWJAICI-UHFFFAOYSA-N 464.530 1.381 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1690675318 WQVDFNSKUFHEIS-SFHVURJKSA-N 488.593 1.172 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690677825 BLUNOUFOVVDURH-NZSAHSFTSA-N 487.605 1.266 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC[C@](C)(CC)O2)C1 1690700897 ZHNXNXLOTMTBLI-IWQHBPENSA-N 483.635 1.740 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H](C)C#N 1690724834 XDVDMDHZGYOSFK-KRWDZBQOSA-N 458.592 1.649 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCC[C@@H]2CO)CC1 1690840408 MSLBZFZUDSAETO-JOCHJYFZSA-N 451.575 1.722 30 10 JDEE CCNC(=O)c1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)c1 1695930174 CVONGPLKSCCDIO-APWZRJJASA-N 489.602 1.147 30 10 JDEE CN(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)c1ccco1 1696601297 DGPIJHGVCQDJEL-LJQANCHMSA-N 470.555 1.859 30 10 JDEE CO[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)C(C)C 1697143590 DWKNFEOIHPZWMX-FUHWJXTLSA-N 455.567 1.464 30 10 JDEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705537348 CFXBRBJFRZOTQN-UHFFFAOYSA-N 480.613 1.814 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1705566681 QGIXGIJQOFSEAL-INIZCTEOSA-N 470.555 1.383 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1705570504 NYFQCESELKIABE-NFBKMPQASA-N 458.584 1.610 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1cccn1 1705589880 WVNZIWNZXQHGOI-GOSISDBHSA-N 451.556 1.585 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC1(F)F 1705628345 DMUAQLHCBRIRLN-IAGOWNOFSA-N 475.562 1.523 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1705628366 DXKKUSRWJZVDCC-JPYJTQIMSA-N 455.563 1.078 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCOC[C@@H]2OC)CC1 1705645879 IBACLPIFHHMXOG-XXBNENTESA-N 497.596 1.980 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN(C)C2CCCCC2)CC1 1705648389 VHDCZGZOOLFFSC-OAQYLSRUSA-N 469.634 1.850 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(F)(F)F)CC1 1705662156 RQFKQLOWVBOLOF-OAHLLOKOSA-N 479.550 1.676 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705688161 OAVWMYLAXPUBIT-MRXNPFEDSA-N 469.384 1.655 30 10 JDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1705720518 CRYYFPKEOWDBID-IKGGRYGDSA-N 494.618 1.217 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@H]1C 1705737658 XHRHQLRFSRVSIW-SJORKVTESA-N 457.597 1.207 30 10 JDEE CCN(CC)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1710017768 IFQOLRSZBLIDKC-DFQSSKMNSA-N 475.619 1.700 30 10 JDEE COC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 1711467093 BQKLDEQHVUSBOZ-XMMPIXPASA-N 481.557 1.909 30 10 JDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1722362119 SHWVCGPAASCQAT-FQEVSTJZSA-N 454.556 1.794 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1722368630 SHJJOUFJPUEUDL-ZWKOTPCHSA-N 487.582 1.116 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1722395911 DBTCNJXZICTGGF-XUZZJYLKSA-N 495.649 1.912 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2([S@](C)=O)CC2)CC1 1722437655 OQKRMTVDJDPUBB-FFZYEISDSA-N 492.646 1.253 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H](C)OC)CC1 1722445907 FCCVPRYDUWOEQS-INIZCTEOSA-N 463.542 1.193 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(F)(F)Br)CC1 1722449144 HKCOBXTYJLSOMN-UHFFFAOYSA-N 473.322 1.354 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1722603060 FPJRXJPNDVVJPV-PMACEKPBSA-N 482.651 1.126 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CCOCC2)CC1 1722702090 CYNUANJVTUQZLH-TZIWHRDSSA-N 460.623 1.800 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1722731046 BVIANTTWGXROJM-HSZRJFAPSA-N 493.605 1.898 30 10 JDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1723088368 GYUNMNGMUHXKBL-UHFFFAOYSA-N 492.628 1.723 30 10 JDEE CCN1CCCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1728583786 HHOJZFSADFIJNB-VQTJNVASSA-N 487.630 1.799 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C(C)C)N2CCOCC2)c1 1740562632 MCQAWYMVJFINGO-VXKWHMMOSA-N 493.612 1.642 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740616072 RPSODOMDBXWMMV-IBGZPJMESA-N 499.641 1.817 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740616173 VIFCAUZHRYCHAP-GSHUGGBRSA-N 472.571 1.103 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CC(F)(F)Br)[C@H]1CCS(=O)(=O)C1 1740620673 GQLOJVMTPOLVOE-LBPRGKRZSA-N 460.304 1.955 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1740621422 XHCLHMNGPVXSAP-HRAATJIYSA-N 481.981 1.431 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O)[C@H]1CCS(=O)(=O)C1 1740625387 QGIHJTICPBFLQS-QUCCMNQESA-N 473.574 1.341 30 10 JDEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCCNS(=O)(=O)CC)CC1 1740695634 ZHDSCZPLXKJBOZ-UHFFFAOYSA-N 455.588 1.511 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCSCC=C)CC1 1740702052 VIEAKTNEPNCVRF-UHFFFAOYSA-N 477.598 1.806 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1740708123 CMGBGIMBHPSSLK-HXUWFJFHSA-N 483.661 1.877 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC)nc2)CC1 1740708124 CMLWWTAARKPIAJ-UHFFFAOYSA-N 462.558 1.557 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC[C@H]2CCO[C@H](C)C2)CC1 1740708613 WKAXDFGGPKOGRA-MOPGFXCFSA-N 456.591 1.572 30 10 JDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1740825760 UACHMLAUWLYQBU-SFHVURJKSA-N 479.628 1.635 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[S@](=O)CC)C1 1740974727 OWPKZSKLVSQKRA-SFNQZPIRSA-N 452.602 1.899 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CC[C@H]1C2 1740987424 GVRSWIFCMHYCSO-RDJZCZTQSA-N 450.586 1.938 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1740992122 BBXXXXNSPGQRLY-UHFFFAOYSA-N 475.619 1.495 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CC2)N(C)C)c1 1748693064 XCDNBOVANYAFDZ-CTNGQTDRSA-N 484.626 1.577 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1748824731 SFMIDDMLNOICSZ-PGRDOPGGSA-N 478.546 1.428 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748824947 URUUQDHYMZISJF-WZONZLPQSA-N 474.583 1.653 30 10 JDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1749330742 MCPREEUWVAIEQF-VIKCJLSCSA-N 456.547 1.859 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1749629786 DUHMWRSJHANMPR-QGZVFWFLSA-N 481.648 1.138 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](C)C1 1749691098 YTSJGNREKSBUOU-PZJWPPBQSA-N 489.642 1.950 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](C)N1CCOCC1 1760120650 NJZOFARVVRSIFG-GOTSBHOMSA-N 465.646 1.821 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1760181366 TWLSTTNZOWCTAC-CGTJXYLNSA-N 492.001 1.977 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC(C)(C)C(=O)NC)CC1 1760269938 HJHURNXYGAFMLK-UHFFFAOYSA-N 466.586 1.616 30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCNS(=O)(=O)CC)CC1 1760383860 BCABGMATAHSXOJ-UHFFFAOYSA-N 453.590 1.444 30 10 JDEE C=CCn1c([C@H](C)OCCOC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1760506543 VWZACGGLGZHZBA-AWEZNQCLSA-N 456.594 1.464 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)N(C)Cc2ccccc2)C1 1760533366 FEGDOIVSIXNYPG-HXUWFJFHSA-N 452.559 1.954 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C(C)C)C1 1760557517 NXPDTNJNHIGUBM-INIZCTEOSA-N 467.617 1.732 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1760557566 PMZUOCREHPIGKP-INIZCTEOSA-N 457.547 1.873 30 10 JDEE CCN1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1765430095 AQBOZHHOKFFWII-IOMROCGXSA-N 487.630 1.822 30 10 JDEE C=CCOc1ccccc1OCC(=O)Nc1nc(N(CC)CCO)nn1[C@H]1CCS(=O)(=O)C1 1870049853 CUNGFIWVMAPDOL-INIZCTEOSA-N 479.559 1.039 30 10 JDEE COc1cc(OC)cc(-n2nnc(C#N)c2NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1870155601 VOOKHVVUCGMHNV-UHFFFAOYSA-N 491.420 1.689 30 10 JDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCC(C#CCN(C)C)CC2)cc1 1891284084 QJVMHLPJYANSCF-QHCPKHFHSA-N 474.627 1.992 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OCc2ccccc2)CC1 2247858503 NMVBIDYABIIGKQ-UHFFFAOYSA-N 455.324 1.209 30 10 JDEE CC(C)(C)OC(=O)N[C@@]1(CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CCOC1 2255646934 RWDVOPDNQKMFRU-HXUWFJFHSA-N 453.370 1.856 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)O[C@H]2C1 2265107267 BPTVCLXIYXUXDZ-XSDIEEQYSA-N 456.543 1.626 30 10 JDEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@@]1(CNC(=O)OC(C)(C)C)CCOC1 2267143764 MJAMGKLBAVFUKY-OAQYLSRUSA-N 450.345 1.465 30 10 JDEE Cn1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(F)(F)F)nc1B1OC(C)(C)C(C)(C)O1 2267187614 AMQVJHYJEIUUQT-LBPRGKRZSA-N 462.278 1.905 30 10 JDEE CC(C)(C)OC(=O)NCCc1nc(=NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)s[nH]1 2267515528 PWHXDTASXDDCOP-UHFFFAOYSA-N 464.357 1.302 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@@](CO)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2267534580 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CC(C)(C)OC(=O)N1CCOC[C@H](CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2282526643 YOTKFZAQFLTIKY-MRXNPFEDSA-N 461.368 1.994 30 10 JDEE Cc1c(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282548210 WJLYYXDSZYDFSH-STQMWFEESA-N 456.274 1.405 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)n1 2282589142 KZEWQNWUGCZEDT-AWEZNQCLSA-N 464.372 1.302 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@@H]1C 2282589304 LUVHOPQGPHPPAV-QWHCGFSZSA-N 458.290 1.874 30 10 JDEE Cn1[nH]c(CNC(=O)OC(C)(C)C)nc1=NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282676054 GJZSAMRTBVEQFQ-UHFFFAOYSA-N 457.340 1.813 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2282681839 HUHSXLJJTVQEJM-RRFJBIMHSA-N 461.372 1.490 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2284048032 IQGXQPNKURAFON-XIRDDKMYSA-N 482.408 1.395 30 10 JDEE 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1286382418 RUBFLFRNLQCSKP-VGSWGCGISA-N 477.587 1.161 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1286384541 RIZCTVTZISCASO-XLIONFOSSA-N 472.558 1.991 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1sccc1Br)[C@@H]1CCS(=O)(=O)C1 1286389681 ONDRJWBMZDUTAX-TZMCWYRMSA-N 498.428 1.728 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1286390616 CNAUQJMXCGBOJL-FQEVSTJZSA-N 451.552 1.970 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCCS1(=O)=O 1286424760 JWLUYGVPTBRDNW-HXUWFJFHSA-N 464.555 1.351 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C2CCCC2)CC1 1286496313 PVUHSYAPXWLRPG-KRWDZBQOSA-N 454.666 1.709 30 10 JDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286498952 GGWIAGWNEZAFLR-UHFFFAOYSA-N 491.639 1.848 30 10 JDEE C=C(Cl)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286626099 VZCZITNYKBHPSL-UHFFFAOYSA-N 458.950 1.977 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c(C2CC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)C(C)C 1286751479 QFQITQVFUAVMDS-QFIPXVFZSA-N 499.660 1.362 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1286786325 BOWYEZKZWFCNKI-YLJYHZDGSA-N 451.531 1.673 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCOC(C)(C)[C@H]1C 1286819125 AWSOVDDXVKIABO-CQSZACIVSA-N 451.549 1.610 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC1CCS(=O)(=O)CC1 1288144600 BJBULJUGAYGMDQ-UHFFFAOYSA-N 499.641 1.829 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300484695 UPXRRZQJEBWYOX-ZUEVXXBESA-N 498.403 1.202 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCOCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300492200 LUTONHUMELCZEN-HXUWFJFHSA-N 476.603 1.139 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1300756803 UBNVABSCGUCQQK-QGZVFWFLSA-N 459.645 1.937 30 10 JDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)COC)CC1 1300980759 NIXAYOHFVKBGIY-UHFFFAOYSA-N 457.531 1.604 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1301222900 IXNVLKVGUTXGQA-HXUWFJFHSA-N 488.614 1.739 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C2CCOCC2)C1 1301223497 WUHSJRAWVKYXFL-RBUKOAKNSA-N 453.609 1.830 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCN(C(=O)C(C)C)CC1 1301493449 ZCFFJOCREGHJRD-UHFFFAOYSA-N 454.531 1.671 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1301588938 MMCUCCXNDZZYSK-ROUUACIJSA-N 487.648 1.125 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1301589695 WJYWSJKXBSQPOH-CEXWTWQISA-N 486.660 1.424 30 10 JDEE C=CCS(=O)(=O)CCn1c(N(C)[C@@H]2CCCc3c2cnn3C)nnc1[C@]1(OCC)CCOC1 1301593359 NATYOKHVAFOGKM-GCJKJVERSA-N 478.619 1.778 30 10 JDEE CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1307023856 HZNDCFDGOSNEDX-OALUTQOASA-N 460.560 1.471 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358955275 IYRZQWUHHJTVEZ-SLFFLAALSA-N 499.641 1.673 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1358968002 XHWODXOABIEGHR-IBGZPJMESA-N 487.626 1.818 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1358987453 HDWOZVHFLSOOBL-LNVKXUELSA-N 492.561 1.338 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(F)c(F)c1 1359010158 ICGRNYULJSYNCI-GOSISDBHSA-N 469.514 1.428 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccnc(C)n2)CC1 1359091846 SZCGXOYCFFELKQ-KPFFTGBYSA-N 490.634 1.295 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1359100624 DOQROKNRXYKKGE-YLJYHZDGSA-N 463.608 1.375 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1359117246 OXDCDPUMOCIPIV-IBGZPJMESA-N 489.646 1.842 30 10 JDEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359133840 BDJGFAZCXWCNRF-UHFFFAOYSA-N 472.565 1.774 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(Cl)ccc2C1 1359332945 KSFMXZWQHRNGGK-KRWDZBQOSA-N 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497.042 1.817 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507637042 GOFPIADFVFJRAF-MANSERQUSA-N 466.604 1.444 30 10 JDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCOCC1 1507642245 RFCZLYHABXXAIH-SANMLTNESA-N 463.582 1.884 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1CCCO 1507652207 FBWUNKKGORKFPJ-RTWAWAEBSA-N 486.617 1.506 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)CC 1507701952 QBJXLXSGFNCZNY-KRWDZBQOSA-N 468.576 1.394 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)N(C)Cc2ccccc2)CC1 1507738796 YVFGAQAYOWFDDM-SIKLNZKXSA-N 477.613 1.716 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)N2CCCCC2)CC1 1507741700 YRDZWXGEUZXVNZ-UNMCSNQZSA-N 486.617 1.371 30 10 JDEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1507783661 WPZFURVZOQAGNI-UHFFFAOYSA-N 464.368 1.133 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CN1CCCCC1)C1CC1 1507993938 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C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1690175445 XQBYCVRRJYVMKH-GOSISDBHSA-N 489.623 1.215 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](COc2ccccc2)C1 1690723276 MJJFOFPRBXFVPV-MJGOQNOKSA-N 459.572 1.735 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCCO[C@@H](C)C1 1705668232 HFVWAEASNLEBHC-BBTUJRGHSA-N 452.625 1.381 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccs1 1705674704 OMEMCFHWUUWCPO-HNAYVOBHSA-N 450.590 1.302 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2c1OCO2 1705885646 ZFJBPELUVGMWPM-GOSISDBHSA-N 479.559 1.027 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1705895057 SCWFECVIWDKKGY-INIZCTEOSA-N 461.567 1.262 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705895591 LVIMTOJBXHVUFL-UHFFFAOYSA-N 466.995 1.666 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1705902591 HUOWCKLTFYOKSF-HNNXBMFYSA-N 460.485 1.325 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(=O)NC(C)(C)C 1705937513 WOAUMTVWCGLUEP-UHFFFAOYSA-N 473.603 1.468 30 10 JDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1706633483 HQYYMTIMGIPURY-IBGZPJMESA-N 487.630 1.839 30 10 JDEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)cn1 1712465121 HIVVVWFANMVUFO-IRXDYDNUSA-N 471.587 1.966 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1722316103 BFRVSPSQRXWPET-IAGOWNOFSA-N 493.552 1.962 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCO[C@H](C)C1 1722378864 IIFGVPAGYRKCAW-HXUWFJFHSA-N 483.642 1.812 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1722430764 IXGQXKCEKGFKPI-HSZRJFAPSA-N 484.582 1.074 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2sccc2Br)CC1 1722432481 YHRNUGZXPRPSJG-ZDUSSCGKSA-N 487.449 1.516 30 10 JDEE C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722488612 ABHZXPXAUGWWMW-AWEZNQCLSA-N 495.765 1.566 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)COC)CC1 1722510618 UDMFZBBBMUWCBN-CVDCTZTESA-N 454.575 1.977 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC12CCOCC2 1722682054 WSKYBSHJBNXXBI-QZTJIDSGSA-N 469.608 1.067 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)C(C)(C)C)C1 1722708951 GZAWDWKADUYWEJ-INIZCTEOSA-N 462.576 1.920 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1722727039 FLLWXSOIEWQINU-IIBYNOLFSA-N 450.536 1.620 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)[C@H](C)C1 1722729365 ZMFQQYSTPYMQNH-CRAIPNDOSA-N 461.544 1.058 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1722729740 VVDJVXDJKUDPLD-UHFFFAOYSA-N 460.604 1.606 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722738935 QTFFJYSGZKJUGF-IBGZPJMESA-N 479.676 1.545 30 10 JDEE COCCN1C[C@H](Cn2c(N3CCN(c4cc(C#N)ccn4)CC3)nnc2C(C)(C)C)CC1=O 1730778415 GTRSEBUVDSKTNW-LJQANCHMSA-N 466.590 1.664 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Br)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1740618751 BELHKKHWWUJSGA-OAHLLOKOSA-N 490.387 1.626 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1740626986 DMLJFNNUWBYNIZ-MOPGFXCFSA-N 457.556 1.780 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)COC)CC1 1740696436 UMRYRZDPXOFJCW-RTBURBONSA-N 462.595 1.624 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(N)=O)C1 1740715253 GOZPIBCWTQBAMP-OAHLLOKOSA-N 451.556 1.260 30 10 JDEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1740717091 JKJUEGAIICFEQE-UHFFFAOYSA-N 452.606 1.483 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1740795568 XWYURFHRPVQTFA-LJQANCHMSA-N 473.599 1.935 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1740950915 MRICFDRXEPYYRA-FQEVSTJZSA-N 451.575 1.922 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740955601 ZIIRWEOLARJALC-SJLPKXTDSA-N 450.499 1.156 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(F)(F)Br)C1 1740981579 PPLVISWPGDXXID-RYUDHWBXSA-N 455.325 1.949 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1740986501 ZEPJDDDBSMJHOW-VGSWGCGISA-N 490.586 1.301 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1740991822 FRASWAHXJGWEBC-IBGZPJMESA-N 491.589 1.413 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCCS1 1741675474 ANMSWZMTKJMGAC-JKSUJKDBSA-N 455.592 1.689 30 10 JDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1744691954 CTGXFQLRKUHFLL-UHFFFAOYSA-N 474.569 1.949 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CCCO)CC1 1748717729 HETDNKLALLTQIY-IBGZPJMESA-N 453.609 1.403 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748802422 PSVAXACMCCDDSF-GOSISDBHSA-N 471.587 1.036 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](C)N1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1748817043 CRVZRNMOUIDIPP-UXHICEINSA-N 464.680 1.519 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCCC2)C1 1749119744 WCSMFKYPMPSQIY-ZRNYENFQSA-N 466.652 1.934 30 10 JDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1749408306 HITXKTWKJHEJJB-UHFFFAOYSA-N 476.607 1.033 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CCN(CC)CC2)C1 1749712115 FABBWQQZERROHN-SFTDATJTSA-N 496.678 1.514 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2CCOC[C@@H]2C1 1749726953 KZZGKUCAVHNCQP-SFHVURJKSA-N 477.587 1.084 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1749738409 MGXUSFDBLGQFPA-RBUKOAKNSA-N 464.592 1.125 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1749745267 XWVFGCNRMWMFIN-ZDUSSCGKSA-N 463.589 1.342 30 10 JDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@H]1CC 1749751914 FAYDLTIDZCAGDR-QGZVFWFLSA-N 453.572 1.826 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1760184247 HUSIIZBRAFPEMO-IAGOWNOFSA-N 482.532 1.851 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 1760188380 KISHGWBBZAJZBL-MRXNPFEDSA-N 455.569 1.527 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1760190703 UNKQKSQHKZOFSW-PKOBYXMFSA-N 462.645 1.602 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(C)CN(C)C2=O)CC1 1760273450 VDBGFNOFCFXROQ-MPCDZSKCSA-N 470.618 1.641 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1760440679 OIGFLYKRJGLGHB-IRXDYDNUSA-N 469.608 1.876 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(CC)C(=O)C1 1760550993 PQRYLFMFXGDXQK-UHFFFAOYSA-N 462.532 1.513 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1760555359 DKMWRPHVPGAESL-FQEVSTJZSA-N 489.598 1.789 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1760556315 ZQTVOOCTTBUUGN-ROUUACIJSA-N 453.609 1.514 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCN(c2ccncc2)CC1 1760692998 FKFNARZTAFHVEZ-ICSRJNTNSA-N 451.579 1.432 30 10 JDEE CN(C[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)C1)S(C)(=O)=O 1767224197 ASJCLTDALDITAQ-CVCYQNGTSA-N 490.655 1.836 30 10 JDEE COc1ccc(CCc2nnc(N3CCC(CC#N)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1768575586 FWHRMRPCWIDNQU-HSZRJFAPSA-N 473.599 1.752 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1772660033 ZPARYJMJCSRMEU-QGZVFWFLSA-N 481.022 1.753 30 10 JDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1cn(CC(=O)ON2C(=O)c3ccccc3C2=O)nn1 1772793423 UKIPPPZVRNHSLY-DOTOQJQBSA-N 471.470 1.382 30 10 JDEE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C(=O)Nc2ccccc2C#N)cc1 1866581549 DYUBTPFYTHDJJH-AVRDEDQJSA-N 483.546 1.974 30 10 JDEE CCCCN(CCO)Cc1cc(=O)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)cn1CCO 1870324487 MQKKTOKLUYRQLO-UHFFFAOYSA-N 488.610 1.874 30 10 JDEE C=CCN=c1nc(N2CCN(c3ccccc3F)CC2)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871632887 RDPZOUDNLOPYGT-UHFFFAOYSA-N 488.527 1.748 30 10 JDEE C=CCN=c1nc(Nc2ccc(N3CCN(C)CC3)cc2)[nH]c(N2CCC(C(N)=O)CC2)n1 1871657967 ZIRJIMAJGREWTA-UHFFFAOYSA-N 451.579 1.089 30 10 JDEE CCOc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1F 1889684551 VLGPTFBWVOLAIQ-UHFFFAOYSA-N 453.580 1.645 30 10 JDEE N#CCCN(CCC#N)C(=O)Cn1cnc(I)c1I 1963529891 OBHGTQRFWPJFTA-UHFFFAOYSA-N 483.051 1.748 30 10 JDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H]3[C@@H](CO)N(C(=O)OC(C)(C)C)C[C@H]3C2)C1 2266484276 HNLBHAKLONUAKR-LDVHVOOHSA-N 463.575 1.979 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NC(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2267161472 BKRXKBSYGGZMSF-BHVCSQLQSA-N 465.381 1.997 30 10 JDEE Cn1cc(C(=O)N=[S@@]2(=O)CC[C@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267181754 WYLNCLGXQNTHJR-PXTGODKCSA-N 468.385 1.625 30 10 JDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267373395 CJFYRXFYWQVYIR-MRXNPFEDSA-N 470.397 1.492 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267374700 VSDLLGXMNCEPIH-UONOGXRCSA-N 488.437 1.696 30 10 JDEE Cc1cc(C(=O)NC(CO)(CO)CNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2267607233 KBMOLYVJQCNEMN-UHFFFAOYSA-N 470.397 1.334 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2268653975 UBSDOHBAIAPVLP-HNNXBMFYSA-N 451.304 1.832 30 10 JDEE C[C@@H]1CC[C@H]([C@H](NC(=O)OC(C)(C)C)C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)O1 2268713922 DLBYTCXIDPXBIG-UPJWGTAASA-N 468.385 1.659 30 10 JDEE CC1(C)OB(c2cccc(S(=O)(=O)N[C@@H](COCc3ccccc3)C(=O)O)c2)OC1(C)C 2269031507 MGZVCVBPEQXTGN-IBGZPJMESA-N 461.345 1.934 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2281799776 ZUDBZYMRQOUEQE-QAPCUYQASA-N 461.368 1.729 30 10 JDEE Cn1ncc(C(=O)NCC[C@@H]2CN(Cc3ccccc3)CCO2)c1B1OC(C)(C)C(C)(C)O1 2282062739 CIPIYDFLARUMCF-LJQANCHMSA-N 454.380 1.740 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CO[C@H](CNC(=O)OC(C)(C)C)C2)n1 2282067281 OMBUKNDZDDSYRB-GJZGRUSLSA-N 464.372 1.379 30 10 JDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282333495 PJYOAPHSDOCTBB-HUUCEWRRSA-N 484.428 1.738 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCCC[C@H]2CNC(=O)OC(C)(C)C)n1 2282491897 PANGYFIAZCDPQP-HNNXBMFYSA-N 484.428 1.787 30 10 JDEE CC(C)(C)OC(=O)NC[C@H](O)CNS(=O)(=O)c1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1 2282513252 YPEWDDXTGAEKSL-ZDUSSCGKSA-N 492.350 1.428 30 10 JDEE CN(Cc1ccccc1)[C@@]1(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCOC1 2283057182 SSPOBEGTPURLNR-XMMPIXPASA-N 452.364 1.797 30 10 JDEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C 2283933304 NNQVQNTVRQFJRB-QGZVFWFLSA-N 461.368 1.713 30 10 JDEE NC(N)=NS(=O)(=O)c1ccc(NC(=S)NC(=O)/C=C\c2ccc(Br)cc2)cc1 33401081 LBFYVNZNEYCIJP-KMKOMSMNSA-N 482.385 1.938 30 10 JDEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N(CCCC#N)CCN1CCOCC1 586152538 RFEINFAUHQEBEY-UHFFFAOYSA-N 450.561 1.449 30 10 JDEE C=CCN(C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)[C@H](Cc1ccccc1)C(=O)OCC 1128003413 OCLKTRNPWIPPCR-GIGYVVOSSA-N 454.523 1.728 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCNC(=O)[C@H]2c2c(C)nc3ccccn23)cc1 1138277304 VLCQZTSTMPNSQY-HXUWFJFHSA-N 453.524 1.420 30 10 JDEE Cc1ccc(C(=O)NC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 1154263545 XNKVJPGZPABVKM-UHFFFAOYSA-N 459.352 1.499 30 10 JDEE C#CCN1CCC[C@H](NC(=O)CCc2nc3c(c(O)nc(=O)n3CCCC)n2CC(C)C)C1 1154959851 ZILKAODIFGZWIK-SFHVURJKSA-N 456.591 1.901 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc([C@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1286379938 FCNVYXBFLAUQLA-UWJYYQICSA-N 487.626 1.925 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1286388637 ANKIAVPVLYQJEI-KRWDZBQOSA-N 468.539 1.449 30 10 JDEE C#CCN(c1nnc(CC)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286395113 QTJWBGVUVLUGOA-YADHBBJMSA-N 471.627 1.849 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2Cc2cnn(C)c2C)n1 1286471079 HOJRKTCSNJBRAW-IBGZPJMESA-N 452.563 1.745 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1286526054 VKSMUZPCNRTWIQ-XMMPIXPASA-N 477.594 1.889 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286587698 RIUIEBNLWBLOGJ-MRXNPFEDSA-N 453.590 1.395 30 10 JDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1286601985 QXSSGJVJNFVKFI-UHFFFAOYSA-N 458.538 1.997 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(F)c1 1286726928 KTOXVWRCQLRVDM-QAPCUYQASA-N 453.540 1.840 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286781439 RFGPAADWLDITSH-QGZVFWFLSA-N 495.005 1.177 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1286786376 CVEJLPSXYPRYJZ-UHFFFAOYSA-N 457.485 1.747 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1300479232 KAAKVLKWMVYLBR-SFHVURJKSA-N 458.588 1.575 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCC(=O)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 1300501864 NWSZYLWNIIGFIN-IBGZPJMESA-N 484.582 1.056 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1300504090 JSMZOCNWVZNYNW-NRFANRHFSA-N 476.562 1.993 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CC1 1300718089 AALQLGCMZINNOS-UHFFFAOYSA-N 475.597 1.629 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(Cl)nc2C1 1300989448 BKDWYWZXSDTTNF-SFHVURJKSA-N 497.021 1.815 30 10 JDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1301036839 MJMGGUMFAGADFV-AWEZNQCLSA-N 470.983 1.866 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1301436302 ZRZKMWNHCGGIKS-UHFFFAOYSA-N 453.590 1.443 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCS(=O)(=O)CC1 1301576041 PYEVHTRBCMQHTF-UHFFFAOYSA-N 476.527 1.382 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1301576530 WLWDZYQWJSFQQO-HXUWFJFHSA-N 490.586 1.755 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1301588937 MMCUCCXNDZZYSK-QZTJIDSGSA-N 487.648 1.125 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1301595882 CZPUUOIIYZQZRZ-HXUWFJFHSA-N 473.599 1.622 30 10 JDEE CC(C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1303275583 DSKQGOZAHGAZIL-RTWAWAEBSA-N 472.615 1.970 30 10 JDEE COc1cc(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc(OC)c1 1313423003 FWSLLWDCYJCWLF-UHFFFAOYSA-N 458.540 1.834 30 10 JDEE CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)CC1 1316351545 GQVLMUUOBSSIMO-UHFFFAOYSA-N 473.559 1.131 30 10 JDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2cccc(C(F)(F)F)n2)CCO1 1316537579 DLLYXCGOXKTVPV-CHWSQXEVSA-N 451.409 1.451 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCCS1(=O)=O 1358870961 XNHCZWOPJRMCKX-OAHLLOKOSA-N 464.979 1.355 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc2c(c1)C(=O)NCC2)[C@H]1CCS(=O)(=O)C1 1358963746 NKSHNXQWPLGPKN-IBGZPJMESA-N 455.584 1.438 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCN(C)S(=O)(=O)CC 1358994143 GFFDPWTUFURLBJ-OAQYLSRUSA-N 471.583 1.925 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCCN2CCC[C@H]2CO)CC1 1359038424 VZMLTUOSXDEKMZ-QFIPXVFZSA-N 454.623 1.132 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCc3ccccc32)CC1 1359041118 NXGDPORYVMGBTD-GHTZIAJQSA-N 498.653 1.974 30 10 JDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1359059755 ZBMIWGMHYRKWCD-HSZRJFAPSA-N 475.622 1.979 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359132608 AZWBRLWORJZUDW-IBGZPJMESA-N 460.579 1.383 30 10 JDEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359136285 FWAIZGHVXQUKLZ-SFHVURJKSA-N 474.587 1.792 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2nncn2CC)C1 1359314489 BVIKCKKQAUXBJQ-SFHVURJKSA-N 486.602 1.636 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)nnc1C(C)(C)C 1359335601 PPZKSRICIHWSBM-UHFFFAOYSA-N 494.662 1.117 30 10 JDEE CC(=O)N1CCN(CCn2c(N(C)[C@@H](C)CC#N)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 1359402863 PEULXAHEQSBYPH-YSIASYRMSA-N 488.637 1.951 30 10 JDEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(C(N)=O)CCOCC1 1359513704 FCCFNWBYBHIOEW-UHFFFAOYSA-N 452.563 1.451 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3cc(OC)c(OC)c(OC)c3CC2)c1 1465926640 VTHAJJZPFTXCOE-UHFFFAOYSA-N 458.536 1.865 30 10 JDEE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(C(=O)NO)cc3)CC2)cc1 1467528247 QZOJGLPFUPISJM-UHFFFAOYSA-N 459.524 1.725 30 10 JDEE CCOC(=O)CNC(=O)C1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 1469401161 FUOCTWPHADDHIV-UHFFFAOYSA-N 457.531 1.744 30 10 JDEE Cc1nccn1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1492710203 HQAJDJRWXFQGLU-UHFFFAOYSA-N 454.560 1.540 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1C[C@]1(O)CCO[C@@H]1C 1494134958 BUEBFZLKGYPBCQ-SEPYTNNBSA-N 454.579 1.783 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCCCO2)n1CC(=O)NCC(F)F 1494135782 HIRPLYYFVGZNRC-ZBFHGGJFSA-N 475.504 1.278 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1CCS(=O)(=O)CC1)[C@@H]1CCS(=O)(=O)C1 1507635513 WMFQBPMOCXBJCD-OAQYLSRUSA-N 490.651 1.629 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCS(C)(=O)=O 1507658190 GMQVUKXPBWHULL-UHFFFAOYSA-N 461.975 1.759 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1507659055 UJCHIJMAJXSIHJ-IBGZPJMESA-N 484.568 1.889 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1507732240 KCNLSPZPOIFPCM-UHFFFAOYSA-N 452.559 1.203 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C3CC3)CCC2)CC1 1507736463 PQYNYZBMMQHNOX-INIZCTEOSA-N 462.620 1.434 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCCNC(=O)OC(C)(C)C)CC1 1507738451 PHCIGHNASCTTPD-UHFFFAOYSA-N 484.605 1.949 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCOCC1CCOCC1 1507764996 QBMZEZMVBLKKCU-DYESRHJHSA-N 453.609 1.714 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1507807402 DBLSEGLNPVHWRY-IWQHBPENSA-N 468.620 1.923 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1508093701 WNGVCADLPSWZOY-VQTJNVASSA-N 452.515 1.415 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(Cc3cscn3)CC2)nnc1[C@@]1(OCC)CCOC1 1508098395 ORTMOWZFMHATFV-OAQYLSRUSA-N 461.592 1.011 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(c2nc(C)no2)CC1 1508144987 VTMOYPUYQAMPOP-UHFFFAOYSA-N 457.560 1.940 30 10 JDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1539206869 WIAHDTXQKAFHTM-PMACEKPBSA-N 478.640 1.881 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1539212715 RUJVWMNMPOBLJM-GCJKJVERSA-N 462.572 1.368 30 10 JDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(N3CCN(CC)CC3)nc2)CC1 1539461265 CBYQWHSQMWRLJQ-UHFFFAOYSA-N 452.607 1.155 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539646622 ZCVJJUAUAZVTGZ-JYRKZWEQSA-N 497.662 1.891 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1539916365 KMJMIVKKXBJTEN-OTWHNJEPSA-N 483.635 1.598 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(C)CN(C)C1=O 1540121576 UBDOZUGODOZRHJ-ZHRRBRCNSA-N 471.587 1.431 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COc2ccccc2O1 1540170874 RPGQPRMHFAIODW-XLIONFOSSA-N 475.571 1.629 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1540866589 SJYJDTYBYKZGTK-IBGZPJMESA-N 481.557 1.675 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@H](c2ccccc2)C1 1540897235 DVZCCKINEKSMCD-HKUYNNGSSA-N 497.643 1.457 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1540901367 BBXMQFNVOFVVMG-UHFFFAOYSA-N 478.600 1.109 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1540908387 VGTQOLLHLPDGIX-FHWLQOOXSA-N 468.620 1.734 30 10 JDEE Cc1ccc(SCc2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)c2cc[nH]n2)cc1 1542513126 CTINXNPUUDQTCE-INIZCTEOSA-N 452.544 1.761 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN(CC(C)C)C1 1587638798 HIELFSOIZZIYEU-ZCNNSNEGSA-N 466.652 1.437 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1588064110 APGMNRPLIPEMGP-LJQANCHMSA-N 473.599 1.177 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588064555 KLBLQGDUANGWTN-XLIONFOSSA-N 451.618 1.668 30 10 JDEE C#CCN(c1nnc(COCC)n1CC1(SC)CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 1588075181 ZUXQXMFQKCWMOR-QGZVFWFLSA-N 455.650 1.269 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cc(OC)ccc2OC)CC1 1588923511 BSUGEOHLNUBQLB-UHFFFAOYSA-N 463.542 1.710 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1589060233 PFFXXRXBQVZTER-CQSZACIVSA-N 460.589 1.302 30 10 JDEE C=C(Br)Cn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1589459797 DIBYVEYLVFDPSI-SFHVURJKSA-N 492.440 1.699 30 10 JDEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccccc1 1593788886 FAZCEEVFHJMWKR-LJQANCHMSA-N 479.628 1.365 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC1 1595115952 OCKOSRZUXLQDQP-NRFANRHFSA-N 474.631 1.899 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1595544445 IHJLKRXWYYAVAZ-QGZVFWFLSA-N 454.597 1.120 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1595570182 ZPOYMDDVOJHZTA-IBGZPJMESA-N 451.575 1.413 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1595797729 ICGAYAFBXKHCMC-IKGGRYGDSA-N 476.690 1.891 30 10 JDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1595894905 BRBYKMGOPOGNRR-UHFFFAOYSA-N 456.638 1.180 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1611684080 GFEJWBRDXZXSJL-GOEBONIOSA-N 477.557 1.903 30 10 JDEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)NC(C)C)CC2)n(C)n1 1612467825 HWQLRWZHOKWQBX-UHFFFAOYSA-N 461.574 1.554 30 10 JDEE COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCC(=O)N[C@@H](C(=O)O)[C@H](C)O)ccc2C1=O 1613914444 JWJGXDRTJUURRC-WCTRXMLTSA-N 487.461 1.658 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(c3cnnc(O)c3Cl)C2)ccc1F 1653496867 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1690001646 OYZCAOYGIFIWAN-FQEVSTJZSA-N 468.627 1.873 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1C[C@@H](C)O[C@H](C)C1)C1CC1 1690545497 SKQJPLIFLAMESC-GGPKGHCWSA-N 482.651 1.265 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1690644614 XGBQCBUZJSPCRW-OALUTQOASA-N 458.544 1.247 30 10 JDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1=O 1698085073 FSQJHZDVLNSCNS-UHFFFAOYSA-N 472.571 1.079 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1705524983 WCJLAYQWMZOEKH-CABCVRRESA-N 451.553 1.386 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1705571713 GPGBHJKUDNBTKR-ZJOUEHCJSA-N 474.583 1.686 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccccc1OC 1705754775 FXCRXXYRAQVMAD-SFHVURJKSA-N 485.994 1.887 30 10 JDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705762383 WVCUVVUJMNBURE-WMZOPIPTSA-N 461.954 1.575 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1705895042 RQVWRENMCUYQSM-UHFFFAOYSA-N 462.514 1.611 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(N(C)C(C)=O)CC1 1705899347 PSHQDAJAXZDGFJ-UHFFFAOYSA-N 454.531 1.466 30 10 JDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O 1705943645 HEBALRINVLXTSP-OAHLLOKOSA-N 476.628 1.981 30 10 JDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1711288562 HKAPCNMHCAQLDL-GOSISDBHSA-N 458.588 1.992 30 10 JDEE COc1ccccc1O[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1711997119 AYZWWVIWHLAPQQ-SXGZJXTBSA-N 466.539 1.806 30 10 JDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1722322491 TYGSNRMZSJWHMW-NRFANRHFSA-N 466.586 1.489 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCOC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722364048 DMRKUFBANPUOEK-HXUWFJFHSA-N 473.599 1.476 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCCc2nc(C)no2)CC1 1722441162 HXBUXVLOAMQGNN-UHFFFAOYSA-N 451.531 1.945 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1722459268 HCPOCYXJVGKCMZ-IAGOWNOFSA-N 451.618 1.138 30 10 JDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722541319 MPKBHKNSYFDXQK-APWZRJJASA-N 464.014 1.646 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)NC)CC1 1722588390 RPSACRUDJXPPOI-QGZVFWFLSA-N 468.624 1.176 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(=O)N(C)C)CC1 1722616788 CMUQLEKRRRMYSG-SFHVURJKSA-N 468.624 1.272 30 10 JDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1722621341 YTHPRNGINIDZDR-OALUTQOASA-N 455.563 1.675 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2Cc2cccc(F)c2)C1 1731012089 BQDOZZKGKRFXJD-IBGZPJMESA-N 462.551 1.928 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OCC 1740549287 DWEBBAPSTJLJII-XLIONFOSSA-N 461.588 1.824 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCCC[C@H]1C 1740611239 XQFLJVADHTVYRB-MOPGFXCFSA-N 452.625 1.335 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(CCOC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740623169 PLADAZOQPLXNRK-MSOLQXFVSA-N 463.604 1.453 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1740624323 HYGTYJMHJGTVQB-VQTJNVASSA-N 489.573 1.554 30 10 JDEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1740628543 YPYZJQHMNYZYAB-LJQANCHMSA-N 473.603 1.115 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C)n(C)c2=O)CC1 1740703541 WPGMZNUQMIALNJ-SANMLTNESA-N 496.612 1.340 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1740715241 GGXRLCWOBSJTMQ-UHFFFAOYSA-N 456.620 1.180 30 10 JDEE C=C(Br)Cn1c(N(CCS(C)(=O)=O)C2CC2)nnc1[C@@]1(OCC)CCOC1 1740748373 FCVYYGYUSNLCCE-QGZVFWFLSA-N 463.398 1.852 30 10 JDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740781104 JGXRVPXFACYMFD-OAHLLOKOSA-N 452.606 1.828 30 10 JDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740943144 RMNOJMKACLQBSA-UHFFFAOYSA-N 466.995 1.813 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1740951537 IASQTVBTUUSBPA-UHFFFAOYSA-N 476.541 1.979 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1740952516 GZWGJVWSCKBWSK-WBVHZDCISA-N 475.619 1.710 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1740961710 HTMGAFNJLMAWME-UHFFFAOYSA-N 477.573 1.472 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](OC)C(C)C)C1 1740981495 PBGCOSBVEGTCFK-FGTMMUONSA-N 457.597 1.063 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1748804824 LSWUAPPSVWAKQB-XZBFUYKUSA-N 498.671 1.247 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1748808866 HGZUBHKMJUTTQC-MRXNPFEDSA-N 459.963 1.710 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1748818707 DVWKPLGGJRMSNN-OAQYLSRUSA-N 483.569 1.690 30 10 JDEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749260521 ANEMJTFBNMHILH-MRXNPFEDSA-N 474.949 1.642 30 10 JDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)Cc1ccccc1)C1CC1 1749519923 UEEKPYAYWLGGNU-SFHVURJKSA-N 464.613 1.950 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(OC)ccc1OC(F)F 1760115939 CZDYKJTYVUQREB-RDTXWAMCSA-N 499.540 1.727 30 10 JDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1760157023 BGWPCEJPUYEKGV-SFTDATJTSA-N 469.634 1.440 30 10 JDEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1760180219 AKYPOVUDKPXVDK-MRXNPFEDSA-N 453.362 1.981 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1760183987 SFZIEELRGHKHJA-JWRCQZCYSA-N 450.586 1.349 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1760185195 RVSZUYRFCNZZIF-OKZBNKHCSA-N 460.556 1.120 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1760188633 LEDFVTRWMQYPBY-LJQANCHMSA-N 457.604 1.484 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1760188883 QTLSULYDVQMABK-WDYCEAGBSA-N 475.546 1.463 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1760216304 IQRLXZDIMVRLNI-UHFFFAOYSA-N 466.567 1.573 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1760267643 UVJOOWOCIOYPFX-SFHVURJKSA-N 470.599 1.192 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1760281905 RSNZXDMTVUBAGY-MSOLQXFVSA-N 451.662 1.857 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)Cc2ccccc2C1 1760504878 DSGCYSGXPZXLAF-NRFANRHFSA-N 473.643 1.918 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760518413 UKCQYFFIELSQQU-UHFFFAOYSA-N 471.993 1.645 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1760519571 ITDUFQMKFHNNOG-FQEVSTJZSA-N 467.530 1.576 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@]2(CCOC2)C1 1760523783 HQMPJZLLYAWEAB-HOYKHHGWSA-N 490.605 1.691 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(c2ncccc2F)CC1 1760527108 ZCFYPQPLSJCLQP-UHFFFAOYSA-N 467.553 1.693 30 10 JDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1760527287 RCVOAOPHBYXBDK-ZJSXRUAMSA-N 493.656 1.744 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[C@@H]2NC(=O)NC2=O)C1 1760547222 GSMLLXXRMSQZEY-ZJPYXAASSA-N 460.579 1.966 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(C)C)CC1 1760549139 XFDQERCLELSFPR-UHFFFAOYSA-N 461.592 1.304 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1760549178 YAJZUSVMGZRAHJ-MAUKXSAKSA-N 483.616 1.536 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1760553194 NZFNHQHCFQCHGP-JTSKRJEESA-N 457.556 1.802 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C(=O)C2CC2)CC1 1760557417 KWMQBQVWHYQRGT-UHFFFAOYSA-N 475.619 1.189 30 10 JDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN2CCOCC2)CC1 1765650918 DGRKUOYJTFWJEQ-IBGZPJMESA-N 466.590 1.637 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1767173642 DZZRSDFIHPYFRW-UHFFFAOYSA-N 475.557 1.566 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)OC)CC1 1772660224 RRXNUCXOOMWJRC-UHFFFAOYSA-N 479.559 1.452 30 10 JDEE CC(=O)Nc1nnc(S(=O)(=O)N(C)c2ccc(NC(=O)c3cccc(C#N)c3)cn2)s1 1858258840 IVTDVPINKPMJCJ-UHFFFAOYSA-N 457.497 1.841 30 10 JDEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(OCCC)c(OCC)c1 1865722297 OEZHBXKNGXPQNK-QGZVFWFLSA-N 470.526 1.268 30 10 JDEE N#Cc1ccc(NC(=O)[C@H](CO)NC(=O)C[C@@H](c2cccc(Br)c2)c2nn[nH]n2)cc1 1867251115 MMRQSNOGYMTSHJ-IRXDYDNUSA-N 484.314 1.472 30 10 JDEE COCCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3Cc3ccc(C#N)cc3)cc2C1=O 1870106860 JQHSCBOPAZGTJG-UHFFFAOYSA-N 469.461 1.955 30 10 JDEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCc1ccc(S(N)(=O)=O)cc1)n2CCOC 1873592507 WJMXDHIWLNJHQQ-UHFFFAOYSA-N 484.582 1.834 30 10 JDEE CCOc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccnc(C#N)c5)CC4)ncnc32)cc1 1890512189 ZFRDRQCHUXWZTM-UHFFFAOYSA-N 455.482 1.838 30 10 JDEE CC(C)N1C(=O)CS[C@@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H]1c1ccc(C#N)cc1 1890834176 ZIHWZQMIQSBABV-FGZHOGPDSA-N 486.619 1.958 30 10 JDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N(C)C2CN(c3nccnc3C#N)C2)cc1 1892050532 BHTBPPPNDRSGLC-OAQYLSRUSA-N 497.581 1.197 30 10 JDEE COCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256621958 ARKDRIKKCGKIFU-GFCCVEGCSA-N 456.374 1.518 30 10 JDEE Cc1cc(C(=O)NCCC2(O)CN(C(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2267121486 YDRMIHUXHLIYDY-UHFFFAOYSA-N 450.341 1.989 30 10 JDEE COCCN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267147180 SIOACBAEKHPFFU-UHFFFAOYSA-N 450.345 1.417 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1O 2267161487 BRAHQJWNOCEIDY-CFVMTHIKSA-N 467.397 1.836 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1COCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2267465701 QMZAIDYVAVDXDW-AWEZNQCLSA-N 488.437 1.962 30 10 JDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1CN(C(=O)OC(C)(C)C)C1 2267469485 WMAQRNOKXACCGP-UHFFFAOYSA-N 468.381 1.892 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268720708 AGQKALGVLQCNDU-YUNKPMOVSA-N 466.369 1.224 30 10 JDEE COc1cc(CNC(=O)[C@H](O)CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2273765142 DYUHPFXJKVXFEB-MRXNPFEDSA-N 450.341 1.496 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@@](C)(=O)C1CN(C(=O)OC(C)(C)C)C1 2282004267 FLIRPXDCUIEJHD-XIFFEERXSA-N 482.412 1.885 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@@H]1CN(Cc2ccccc2)CCO1 2282043591 OCTIPLUUUIKMSE-LJQANCHMSA-N 454.380 1.740 30 10 JDEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N1CCN(C)C[C@H]1CNC(=O)C(F)(F)F 2282660718 CRRJIBSGNVFBKW-CYBMUJFWSA-N 475.342 1.790 30 10 JDEE Cc1nc(I)c(NC(=O)C#C[C@H](C)N)c(I)n1 2302421053 OQIPXTQESHYYBA-YFKPBYRVSA-N 456.025 1.283 30 10 JDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337183750 MMADOSFHHYGGLC-KGLIPLIRSA-N 450.345 1.083 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@H]21 2337396264 LDJAEICVVLMFLE-HUUCEWRRSA-N 465.381 1.903 30 10 JDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2337403013 ILGPCQGKFRLFGD-AWEZNQCLSA-N 466.413 1.723 30 10 JDEE Cc1ccc(S(=O)(=O)O[C@@H]2CO[C@H]3[C@H](OS(=O)(=O)c4ccc(C)cc4)CO[C@@H]23)cc1 1700340 LFXDGKWHPSDRCT-ZRNYENFQSA-N 454.522 1.949 30 10 JDEE Nc1ncnc2c1nc(NN=Cc1ccccc1OCc1ccccc1)n2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O 254404961 AUVIRAFZUOZRQR-RKCFAAOBSA-N 491.508 1.045 30 10 JDEE C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)CCN1S(=O)(=O)c1ccc(F)c(C#N)c1 488938200 FXQJPHGZSSJAPE-ZDUSSCGKSA-N 466.491 1.792 30 10 JDEE N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)C[C@H]4CCCO4)cc3)CC2)nc1 518750331 IXFPYPWTJQCUQG-LJQANCHMSA-N 483.550 1.193 30 10 JDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c(F)c1 609257116 UEGYANARCMEXJI-UHFFFAOYSA-N 480.905 1.627 30 10 JDEE Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1139811067 CPVUHWVZEYIOJE-OAQYLSRUSA-N 452.536 1.838 30 10 JDEE Cc1cccc(C(=O)N2CCCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)c1 1141440674 FQNBTGXSWCHOFE-GOSISDBHSA-N 454.552 1.908 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1286382491 JIPHJGGHCIXMOK-DXIQSLLYSA-N 465.620 1.041 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(N(CC)CC)nc1)[C@@H]1CCS(=O)(=O)C1 1286389561 MJWWZCNVSGIFPC-LJQANCHMSA-N 480.598 1.651 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1286393578 FILBRQSNWZKCSX-JTSKRJEESA-N 462.572 1.653 30 10 JDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1286401783 UYHXDXYSKCAWCG-DEOSSOPVSA-N 485.610 1.690 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1286431489 OIKFCKMQAOPZFA-MOPGFXCFSA-N 482.614 1.144 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CCNS(C)(=O)=O 1286461731 WEOPGVFAOMRTFQ-UHFFFAOYSA-N 459.551 1.468 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(=O)NCCC)c2)CC1 1286483518 OMJWPVFIABYRBJ-UHFFFAOYSA-N 463.586 1.344 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2COCCO2)CC1 1286488901 XOOKDSUOIUJMIY-LJQANCHMSA-N 499.568 1.352 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1286552835 BJVUMNHEXMZSQZ-XSYGEPLQSA-N 490.605 1.940 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)NC)CC1 1286563029 IGRFPMPEKDFLTC-QFBILLFUSA-N 473.603 1.712 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286672093 GMGZWDVQHACSLJ-DLBZAZTESA-N 478.619 1.549 30 10 JDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286776545 GHTUUKZQINOLKT-UHFFFAOYSA-N 487.674 1.737 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1csc(Br)c1 1286781516 SDJWJYFIZNGJKO-NSHDSACASA-N 491.437 1.651 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286788675 BTUKVULOHUVVKT-KNQAVFIVSA-N 495.628 1.169 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC=CCC2)cc1 1286796551 MGRUVGYWAPCDIN-HXUWFJFHSA-N 459.572 1.990 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ncccc2F)C1 1286810976 YJGGYZPNMFGFQH-CVEARBPZSA-N 451.524 1.575 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1300488688 GETDIFKPXPHKDL-ROUUACIJSA-N 479.990 1.816 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1ccnn1 1300578835 PSUCNSYFXXEFIO-LJQANCHMSA-N 468.562 1.731 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC2(C(N)=O)CCCC2)CC1 1300726180 IEFMXDBYVDCRIO-UHFFFAOYSA-N 478.597 1.889 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@](C)(O)C(C)C)CC1 1300727398 ZNHUHDROOKRDCY-VWLOTQADSA-N 463.586 1.889 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1301458011 KGZZXFNOHIWWLM-LJQANCHMSA-N 464.567 1.258 30 10 JDEE CN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)CC(F)(F)F 1314848353 DNQLWNLSXPEMTF-UHFFFAOYSA-N 456.494 1.936 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(C)COCCO2)c1 1358900514 MIPKWHGNSIOLKV-RUZDIDTESA-N 489.536 1.787 30 10 JDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1358929735 HAWIDGFMHZXFGA-HXUWFJFHSA-N 466.542 1.377 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1358956028 YQZUEYAYNAYMGW-WBVHZDCISA-N 453.634 1.576 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1358956486 GLGMHMHZUCKMPR-IMSXRSKXSA-N 493.674 1.677 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1358957189 QUMFNRFUOKSUAL-FUHWJXTLSA-N 454.556 1.997 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1358966027 GMXYDUPSKQYSQL-QGZVFWFLSA-N 461.613 1.640 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC(F)(F)F)cc1 1358969440 PHVKVQDHYQDCMX-HNNXBMFYSA-N 469.489 1.951 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OCCC 1359010163 INZKNRBUFPVGQW-SFHVURJKSA-N 462.576 1.303 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCOC[C@@H]1OC 1359015220 MGEMOADFMBQVDX-QRFRQXIXSA-N 479.578 1.719 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCN2CC)CC1 1359042058 PVKHMXCBVNKBCN-SQJMNOBHSA-N 472.634 1.769 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[C@H]2COCCO2)CC1 1359042822 VLXYPTLBKMAPJL-NRFANRHFSA-N 453.543 1.725 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](c2ccccc2)N2CCOCC2)CC1 1359047539 KOVRRLGDNPNXRF-HSZRJFAPSA-N 480.613 1.854 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(O)CCOCC2)CC1 1359047971 ZZHBIYLGPJQUJQ-UHFFFAOYSA-N 467.570 1.673 30 10 JDEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 1359133451 RZEOLJGHVRPMMU-SBUREZEXSA-N 478.594 1.881 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H]1COCCO1 1359277670 SFJOWILRHCZSPW-HKUYNNGSSA-N 450.561 1.814 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C(=O)OC)C1 1359293333 NJSBCBGMZOMACC-LBPRGKRZSA-N 451.325 1.727 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)c2ccco2)CC1 1359297219 JDDJXKLNFDJDFZ-UHFFFAOYSA-N 450.499 1.811 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](CNC(C)=O)C1 1359299239 ZNCXKLXFCYKPOV-INIZCTEOSA-N 464.530 1.249 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cccc(OC)c1 1359300845 LDTUURDZGVRBSF-MJGOQNOKSA-N 459.572 1.833 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C2CCCC2)CC1 1359331487 AQDJYQBVBRSMPT-SFHVURJKSA-N 450.609 1.285 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1359331862 JOBZAJMALMNNPT-ROUUACIJSA-N 450.565 1.432 30 10 JDEE COc1ccccc1[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1nccn1C 1440870025 AVBKQXJPGJYVMH-QRWLVFNGSA-N 453.524 1.873 30 10 JDEE C#CCN1CCC[C@@H](NC(=O)[C@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)C1 1455711802 IUKPAJMVWGJIQV-HXOBKFHXSA-N 451.564 1.548 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1507576406 WXSSWLKYBZGWKQ-GPJFCIFZSA-N 493.678 1.119 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1507629702 OPPHAYGZOJVDRR-HXUWFJFHSA-N 456.572 1.022 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1507632443 LJXPWSUAGHYNQX-OALUTQOASA-N 492.623 1.055 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507633964 VWVGXKSESCRXRS-IAGOWNOFSA-N 467.592 1.276 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1507639484 KNYCQJGITSMJCF-GOSISDBHSA-N 487.561 1.384 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2Cc2nncn2C)CC1 1507740924 HQWPQJDUZAEJFQ-UHFFFAOYSA-N 478.557 1.398 30 10 JDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507785818 TVCBMFBQIJQKRQ-KBPBESRZSA-N 453.341 1.457 30 10 JDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507830580 JJWCHNXDIBOTST-ZWKOTPCHSA-N 498.650 1.928 30 10 JDEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCCS(C)(=O)=O)c1ccccc1 1507851125 FYTMEORRBMMPDO-GOSISDBHSA-N 452.602 1.765 30 10 JDEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507911974 REWHROHTYHTUCE-QGZVFWFLSA-N 468.558 1.712 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1508073588 OIHSUFUNIRJOOY-UHFFFAOYSA-N 479.541 1.951 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1508075365 VSQFCNUJOHQWMG-HNNXBMFYSA-N 491.394 1.389 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccoc2CC(C)(C)C1 1508088508 BEHWEZXCJMDYEJ-SFHVURJKSA-N 492.602 1.095 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1508096944 LTHWHIOBTLFKCU-ICSRJNTNSA-N 475.594 1.032 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1508130836 IYGUWIFNYGUFEU-NFBKMPQASA-N 476.599 1.403 30 10 JDEE CC(=O)N1CCC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 1508219158 ASPBHCHXAXXZAT-TZIWHRDSSA-N 486.598 1.611 30 10 JDEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1508812791 CVBGRYQORTZDFH-UHFFFAOYSA-N 459.576 1.061 30 10 JDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C)CC1 1515312875 DRABEYBRWYILKU-UHFFFAOYSA-N 475.557 1.632 30 10 JDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1517035151 CTDULNPOJDKOJS-CQSZACIVSA-N 456.450 1.119 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCCS2(=O)=O)c1 1539042912 LANXQSMEIRXIIP-QUCCMNQESA-N 471.583 1.806 30 10 JDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539078620 BDRWKHHVEUQVAQ-UHFFFAOYSA-N 457.604 1.283 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C(C)(F)F)cc2)CC1 1539429536 AIWMBQOITSKNJG-INIZCTEOSA-N 466.558 1.804 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1539470531 TUXXXVLAHZLMIF-BSYVCWPDSA-N 477.525 1.339 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)C(C)C 1539557688 XROVMGAYYGSRNR-WIYYLYMNSA-N 452.625 1.333 30 10 JDEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)c1ccccc1 1539766982 HKXMTEKWIZTGNA-GUDVDZBRSA-N 460.556 1.254 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1c2ccccc2C[C@H]1C 1540071991 IZFLQBRTVCOUHZ-YLJYHZDGSA-N 460.604 1.684 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CN(C)C1=O 1540121570 UBDOZUGODOZRHJ-KSFYIVLOSA-N 471.587 1.431 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(C(C)=O)CC1 1540127678 WJLBYLIYBTUMNO-OAQYLSRUSA-N 451.575 1.586 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1540861712 DEPNOOJZBFKDHV-SFHVURJKSA-N 451.531 1.260 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1540903296 BBWGXMQCSBZCRT-MGPUTAFESA-N 467.617 1.619 30 10 JDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H](O)C2)C1 1555800722 GKYQSSLHCIIBJB-WSTZPKSXSA-N 459.572 1.903 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN1CCCO 1587639093 KINPFDRVKRIYGL-UFYCRDLUSA-N 476.622 1.891 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1588034343 DLKOWGFJHLSFKV-ZDUSSCGKSA-N 496.416 1.871 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(C(=O)NCC)c1)[C@H]1CCS(=O)(=O)C1 1588050707 UTLZEWPVXAKWCJ-IBGZPJMESA-N 466.567 1.698 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588070068 VUEYEOIPGADMRH-OAQYLSRUSA-N 473.647 1.641 30 10 JDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCS(=O)(=O)CC2CC2)CC1 1588865652 ZVFXIDXFJCEDEP-UHFFFAOYSA-N 457.600 1.746 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N1CCOCC1 1595161473 BBFJHKJKYUIPKW-MRXNPFEDSA-N 465.601 1.293 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1595475162 BDGMOAWKQVOUHK-IBGZPJMESA-N 459.639 1.864 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1595569611 KHDPXPOIUNTVOP-UHFFFAOYSA-N 471.606 1.178 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1595759994 IVTRSSOHQKUNRY-NRFANRHFSA-N 465.551 1.254 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NC(=O)COC)CC1 1595773086 PSRCEXVXAPBNSJ-UHFFFAOYSA-N 482.006 1.931 30 10 JDEE CCN(CCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](C#N)C1)S(C)(=O)=O 1615624826 CYIXQXSDIFPJOM-GOSISDBHSA-N 471.587 1.751 30 10 JDEE CC#CC[C@H](CO)NC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1640797832 GBVMHTZCCXFFOI-CQSZACIVSA-N 456.337 1.640 30 10 JDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H](CNS(N)(=O)=O)C2)n(C2CCCCC2)c1C 1641653095 FZEHDJHDDZXWDY-QGZVFWFLSA-N 450.609 1.925 30 10 JDEE C#CCN(C(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC)[C@H]1CCS(=O)(=O)C1 1668771259 JMKWLSXNHORIQA-AWEZNQCLSA-N 457.574 1.426 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1689981830 BZWLRVWMNCORRH-NZQKXSOJSA-N 490.630 1.541 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1689984067 KQXAVQWMZZIHJN-HTAPYJJXSA-N 460.556 1.708 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1689988082 IRIONDDLESRHDF-YCRPNKLZSA-N 463.560 1.184 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CSC)c1)[C@H]1CCS(=O)(=O)C1 1689988844 XIUQXMISHIRGJW-OALUTQOASA-N 473.624 1.767 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689992792 OVTFGBWXKOKULR-HXUWFJFHSA-N 499.618 1.365 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1690032751 IJMUROVAGAKHPE-QZTJIDSGSA-N 478.619 1.751 30 10 JDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1CC1CCN(C(C)=O)CC1 1690106555 ZYZQYTKSRBBDDV-UHFFFAOYSA-N 458.588 1.614 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)C1CC1 1690544810 BQRUPUDFPDOTJU-FUHWJXTLSA-N 498.650 1.927 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690682605 UCBXCQKOXMXXRC-ZWKOTPCHSA-N 459.572 1.856 30 10 JDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1690715631 PVUVACWZARMXCY-UHFFFAOYSA-N 452.625 1.100 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1696491204 AQXVCJAFLPPXBN-IBGZPJMESA-N 473.559 1.129 30 10 JDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1CCN(CCN(C)C)CC1 1696990396 DCUZUJXBMAGIEV-UHFFFAOYSA-N 452.607 1.663 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)c1ccccc1 1705496092 ZNUCVWCCBWOBGB-QUCCMNQESA-N 460.604 1.595 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1705507200 UZQKNXPBIUWEDW-MOPGFXCFSA-N 486.598 1.120 30 10 JDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1OC)N1CCCC1 1705541840 SQIHTQZBALQAGX-PKOBYXMFSA-N 460.604 1.803 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](OC)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1705559104 QYSRHICXOIKAEO-KURKYZTESA-N 451.593 1.202 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CC[C@@H](N1CCOCC1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705561623 VHSUBUUPEQJMEY-DLBZAZTESA-N 491.580 1.856 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705565012 FIFZGRFNOILKRJ-SJORKVTESA-N 494.618 1.113 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1705565152 STRYCRUKCDQPGL-DYESRHJHSA-N 457.581 1.936 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1705572222 UPLUFYWIWHUVRO-ZCNNSNEGSA-N 479.647 1.503 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCCn2cc(Br)cn2)CC1 1705642335 PTEXHOZUBLQHME-UHFFFAOYSA-N 489.422 1.595 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCOC(C)(C)C2)CC1 1705642416 SVZMMMNXBXYUAF-UHFFFAOYSA-N 471.631 1.136 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCNC(=O)C(C)C)CC1 1705651018 GYHLJNXHWCHZHT-UHFFFAOYSA-N 466.586 1.904 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSCCS1 1705716381 JDTFLWCPSAIFOR-HOTGVXAUSA-N 461.679 1.862 30 10 JDEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1705778294 QKVOKFVTSHKXJS-QFIPXVFZSA-N 462.572 1.914 30 10 JDEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC)C1CC1 1705854244 PLMJEIZUTIZYBV-INIZCTEOSA-N 470.596 1.291 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1705898319 HVTFOHUHJBVBQR-HNNXBMFYSA-N 490.494 1.296 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](COCC)C1 1705900921 UJCZZTQDXBKKCD-QGZVFWFLSA-N 475.619 1.793 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1705906693 MFNHJRRITWISMD-KRWDZBQOSA-N 452.519 1.601 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1705928405 PTKRALVBDHKANG-KRWDZBQOSA-N 474.587 1.415 30 10 JDEE CC(C)(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1706146026 CVNMFKIEUIULQL-UHFFFAOYSA-N 462.562 1.978 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCSC2)c1 1722305452 HPHKCZLEBROBOJ-DEOSSOPVSA-N 491.577 1.850 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722359495 NJXCQUTWCRXQSO-DENIHFKCSA-N 482.610 1.412 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)N2CCCCC2)CC1 1722431807 OFUZGNNDXGYIIR-UHFFFAOYSA-N 450.591 1.945 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1722686114 UGYGQVBDFLUPDP-SFHVURJKSA-N 462.532 1.874 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1722696538 BIURLYIZGUKLJS-UHFFFAOYSA-N 482.976 1.892 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC(=O)N(C)[C@@H](C)C2)cc1 1722705376 XQZSZPXEXLMVQP-WMZOPIPTSA-N 459.572 1.460 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1722725554 NGLAOIHJUNDTHD-SFHVURJKSA-N 456.572 1.731 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@@]3(CCCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722732129 UVSMJQGWAWYLGV-VJBMBRPKSA-N 498.646 1.694 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC1(O)CCOCC1 1722866483 BFYLZPMDZPHODD-SFHVURJKSA-N 454.579 1.980 30 10 JDEE CCN(CC)[C@@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1728369497 GRBPVVFRKWPNDC-IRXDYDNUSA-N 450.547 1.651 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOc2cccc(OC)c2)CC1 1740591024 LPBJDONKYNHUHS-FQEVSTJZSA-N 487.626 1.803 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1740591051 MEDJSBBOYAIZBZ-LAUBAEHRSA-N 453.609 1.666 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1740618183 DHCMUNMJTWSDLX-REWPJTCUSA-N 479.647 1.433 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1740624941 LKCRFJWDCCRIGB-PGRDOPGGSA-N 476.002 1.627 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCCN(C)C)c1 1740656451 KBAGEWBPTJFLJO-OAQYLSRUSA-N 469.611 1.632 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCc2cnn(C)n2)CC1 1740697877 OHTIDRYHSRVASM-UHFFFAOYSA-N 450.547 1.479 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1740706688 ZMDCVQPLANCOHL-FQEVSTJZSA-N 495.559 1.073 30 10 JDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1740717940 DKTUCHNVAHYETQ-MRXNPFEDSA-N 456.572 1.690 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1740751238 ZUDRTRMBVFNOBA-AZUAARDMSA-N 494.662 1.746 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(F)(F)C1 1740960278 OMRUQKFNFMWIIN-CQSZACIVSA-N 456.494 1.734 30 10 JDEE C=CCOc1ccccc1Cn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 1740970716 BNRIZGRLHFUVHQ-HYBUGGRVSA-N 471.558 1.495 30 10 JDEE CCCNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1745768950 ABKVJQOQSZWYBX-GOSISDBHSA-N 463.546 1.648 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCN(CC)C2)c1 1748691987 AOTLSFNMOPYCQT-VQTJNVASSA-N 484.626 1.578 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1748734288 ARYFXDKQGHWUFJ-SFHVURJKSA-N 459.572 1.998 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCC[C@H](C)C1 1748790601 JNDPVHXXUNAPTR-RBUKOAKNSA-N 452.625 1.193 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C(CC)CC)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748817641 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C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2cccs2)N(C)C)CC1 1760269131 ZFCKWVDQPBPHGL-QZTJIDSGSA-N 469.615 1.559 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCC(=O)NC 1760319800 UQQHAFUBCUFHCX-YLJYHZDGSA-N 461.588 1.902 30 10 JDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](C)C1 1760355231 BWOXWUWIJFARCM-IBGZPJMESA-N 481.601 1.942 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1760407281 YZRVEXDWLGKUHF-IBGZPJMESA-N 492.621 1.112 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1760428171 QIQHDPARCIBENS-SQNIBIBYSA-N 457.597 1.207 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cnc2c(Cl)cnn2c1 1760464625 LOBQOMHBBBTARD-MRXNPFEDSA-N 480.982 1.172 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1760510302 QAHGJYYHGDUCOG-GOSISDBHSA-N 476.603 1.797 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc(O)cc1 1760549180 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30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1286392775 NTGMHIZDRPWZHS-PMACEKPBSA-N 458.584 1.953 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1286392885 HUJMLKOUOUGFMV-WOJBJXKFSA-N 456.568 1.849 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286398781 PBZYHSZMTIVFEY-GUDVDZBRSA-N 491.658 1.869 30 10 JDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCC(=O)NC(C)(C)C)CC1 1286478911 IFGIMUOVKFOZSC-UHFFFAOYSA-N 462.558 1.654 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCC)C1 1286554121 GPMZGXVHPYGIHB-FYQPLNBISA-N 483.635 1.598 30 10 JDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCOCCS(C)(=O)=O)CC1 1286648288 NNKIGCXICPEUIV-UHFFFAOYSA-N 453.590 1.487 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2cccc(O)c2)CC1 1286822666 MUHMOBQWMBEDRM-UHFFFAOYSA-N 468.583 1.897 30 10 JDEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)N1CCOCC1 1291618641 HGHSSHCGHIMLJN-IAGOWNOFSA-N 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10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCOC)CC1 1690139731 YTCZRQQCGYPOCO-UHFFFAOYSA-N 488.614 1.198 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1690148481 IOEUQJRWEHXARG-QHCPKHFHSA-N 479.629 1.587 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690299146 GXIASLVZGDGYAF-SFHVURJKSA-N 482.545 1.285 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1690313482 VOLQWDJAQJVDSN-MSOLQXFVSA-N 453.609 1.658 30 10 JDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1690328221 HJWQUYDBUCTIPW-CABCVRRESA-N 460.004 1.223 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(CC(=O)N(C)C)CC1 1690665782 PJDNMQCVHLEFFA-UHFFFAOYSA-N 470.574 1.959 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690667176 SLEMZZOAFXQBJB-UTKZUKDTSA-N 486.020 1.890 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1690692485 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C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[C@H]2CCCCO2)CC1 1705645063 KHBDPWAWPWGRBZ-IEBWSBKVSA-N 480.635 1.203 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(O)c2)CC1 1705731588 XTNOTVMNTCWNCI-KRWDZBQOSA-N 464.592 1.513 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCOC1 1705864805 NBUCVBBRUKLRKD-UTKZUKDTSA-N 450.536 1.663 30 10 JDEE C=CCOc1ccc(Cn2c(N3CCO[C@@H](C(=O)NC)C3)nnc2[C@]2(OC(C)C)CCOC2)cc1 1705910889 QUMLBVMDLIWIGQ-BWKNWUBXSA-N 485.585 1.883 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1705935883 FXZSQXWUZSCKQQ-LJQANCHMSA-N 491.614 1.945 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CCOc3ccccc3)CC2)c1C#N 1707807489 BKNULEJIRICZGO-UHFFFAOYSA-N 477.573 1.736 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(Cc2ccccc2)c1 1722413207 JPOZQKOKPQTCPO-NRFANRHFSA-N 483.598 1.364 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1(S(C)(=O)=O)CCCC1 1722419354 YGXQMHTZMAIMGW-UHFFFAOYSA-N 460.560 1.369 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCC(=O)N2)CC1 1722437170 QXVOXJWSJZQAEE-RTBURBONSA-N 471.606 1.426 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1722440002 XTQCFZRIWBRENZ-QFIPXVFZSA-N 450.635 1.293 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1722443069 BJMOMZAISZXMOM-LJQANCHMSA-N 494.596 1.414 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nccc(C(F)(F)F)n1 1722467982 YLJFSADBHRCIBZ-SCLBCKFNSA-N 471.509 1.932 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1722692800 XFCWGMXIJXUHQX-UHFFFAOYSA-N 459.595 1.338 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@]2(O)CCN(C)C2)C1 1722713539 FDFYFYVFVGHCJH-HOYKHHGWSA-N 473.574 1.819 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCCO[C@H](C)C1 1722730307 OIKKUIVDZIYNGH-OAHLLOKOSA-N 453.590 1.486 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1740592557 ZLCXCCUCKOMULH-GOSISDBHSA-N 456.547 1.931 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740623604 XPTWOTSYJWWNAR-ZCNNSNEGSA-N 476.647 1.368 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCCN1CCC[C@H]1CO)[C@H]1CCS(=O)(=O)C1 1740626243 KLRSZNHNEMORCD-PMACEKPBSA-N 465.664 1.730 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1740626364 XBFKPVNTRCLZGS-QGZVFWFLSA-N 487.611 1.161 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC[C@@]2(CCOC2)O1 1740640307 KKAXYLJLFJDGCW-RNHFSVANSA-N 485.585 1.997 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCS(C)(=O)=O)CC1 1740707314 XUKXVRJSHBQCQR-UHFFFAOYSA-N 463.991 1.533 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OCC)CC1 1740851450 WQOFERLBPILRTG-QGZVFWFLSA-N 484.623 1.492 30 10 JDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(CCO)Cc1cc(Br)ccc1F 1740942822 LISLXZGJWOOBIX-LBPRGKRZSA-N 476.372 1.975 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1740953657 MXDPJMPAHKQCNH-UHFFFAOYSA-N 482.520 1.520 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)CC)C1 1740959350 SKBRCHRSOPUQCB-OAHLLOKOSA-N 464.530 1.391 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1740963796 XOJZJYDWGHPDJG-GOSISDBHSA-N 467.530 1.746 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(C)c2)CC1 1740986040 QPHCXYARWABKKO-UHFFFAOYSA-N 460.604 1.652 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)C[C@H]1COc2ccccc2O1 1740993612 AUNPPFVPSODDLH-KRWDZBQOSA-N 475.571 1.278 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1741002444 ICZWWXXQSXRGKS-ZWKOTPCHSA-N 477.660 1.995 30 10 JDEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)OC 1744165267 DMBVVJNEJHIPNS-LJQANCHMSA-N 464.530 1.740 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C1 1746552847 GZZKWOCROWHMGV-HYHKQLJDSA-N 492.627 1.158 30 10 JDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCN(CC)CC1 1748784952 JJXKTRKCSDFFEZ-UHFFFAOYSA-N 462.602 1.772 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC1(COC)CCCC1)[C@H]1CCS(=O)(=O)C1 1748801872 IERKAJDCZJAMPG-IBGZPJMESA-N 477.631 1.738 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1748804382 GTPVUKWBYHJJMO-ZWKOTPCHSA-N 474.583 1.968 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1748805862 XHTVAFLIACNYQU-NZQKXSOJSA-N 479.647 1.431 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1748808652 FLSOVVFZNJBCEA-YWZLYKJASA-N 450.948 1.377 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1 1748808781 NJNWYZBQJSEGCW-GOSISDBHSA-N 479.628 1.478 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1748811128 CANWEKIBSIFOLW-SFHVURJKSA-N 475.640 1.629 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C(C)C)N1CCOCC1 1748840713 HOXTYUCDHAKTMQ-OAQYLSRUSA-N 483.642 1.668 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(S(=O)(=O)NC)c1 1748896744 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C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1286731678 SMYMZXJXWMJXBA-UHFFFAOYSA-N 477.616 1.459 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](C(N)=O)C1 1286783901 PODGUBMIGUWDRH-CYBMUJFWSA-N 463.336 1.330 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCS(=O)(=O)NC(C)C)C1 1286806071 TWRNQJPPJOYXKN-QGZVFWFLSA-N 463.560 1.783 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(Cn2cc(C)cn2)CC1 1286814160 LXPWNLYXQHSDAY-UHFFFAOYSA-N 463.608 1.439 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](c3cnn(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286825139 MLLFOILWYPNGBG-GCJKJVERSA-N 478.619 1.647 30 10 JDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 1292103516 CIPUMJHLMGBOIR-CYBMUJFWSA-N 455.945 1.469 30 10 JDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1300348532 NPKKQLNKLITEQR-UHFFFAOYSA-N 483.602 1.585 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1300650140 YVDDLMXTLWLMQW-YADHBBJMSA-N 495.603 1.951 30 10 JDEE 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JDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c1 1472494243 APGARKBSNVWLFG-IBGZPJMESA-N 456.524 1.062 30 10 JDEE COc1ccc2c(c1)nc(Cn1c([C@H]3CCS(=O)(=O)C3)nnc1N(C)C[C@H](C)C#N)n2C 1504316583 AVPPIINAAVZSKP-CABCVRRESA-N 457.560 1.720 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1507562927 BIYKQVFLQLQVJF-AZUAARDMSA-N 475.619 1.662 30 10 JDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1507604936 JXSMEJBFHTYQST-QGZVFWFLSA-N 458.950 1.426 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1507640966 XCQVBXBZDQOPCJ-GOSISDBHSA-N 480.612 1.227 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)N1CCCC1 1507689222 IPUDNIKPAPWRMA-VXKWHMMOSA-N 486.642 1.908 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1507711023 YIZYLUASAPKKDI-RUZDIDTESA-N 477.569 1.629 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2CC2C[C@H](C)O[C@@H](C)C2)n1 1507715757 CLCJRCFDCACAKR-WFXMLNOXSA-N 469.590 1.916 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@]2(C)COCCO2)CC1 1507718637 SNXOSWJDXZMSMJ-DEOSSOPVSA-N 471.558 1.532 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1507747537 XMNGPRKYIZZTGI-MRXNPFEDSA-N 494.618 1.356 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1507801960 ZLVKNDZBNXLATF-UGKGYDQZSA-N 470.622 1.650 30 10 JDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1507821890 QNDFZDOMICWRIC-UHFFFAOYSA-N 457.579 1.031 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1508059504 WBCJLHXMIJDQDK-GOSISDBHSA-N 498.588 1.593 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1508089755 KOCVYYARXUQANS-GOSISDBHSA-N 487.605 1.506 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCCN(C(=O)C2CC2)CC1 1508092716 GDXBCCQVCVLZNQ-UHFFFAOYSA-N 468.558 1.617 30 10 JDEE C=CCNC(=O)Cn1c(N(C)[C@@H]2CCCN(c3cccnn3)C2)nnc1[C@]1(OCC)CCOC1 1508094939 QWNJIKZOCKOTSD-JPYJTQIMSA-N 470.578 1.128 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1508136318 DWZHMAGWURXPRX-SFHVURJKSA-N 473.603 1.523 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(Cn2cccn2)CC1 1508144399 PWQKNBRDVPLLRT-UHFFFAOYSA-N 455.588 1.978 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCN1CCOCC1(C)C 1510154981 HHZZFGUOYFZDDF-KRWDZBQOSA-N 475.619 1.507 30 10 JDEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC1 1513200745 DRPSGLWUTFHEIC-DENIHFKCSA-N 481.601 1.944 30 10 JDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(c2ncccc2F)CC1 1519606095 IEIMALLZYXEAPX-UHFFFAOYSA-N 484.561 1.617 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)COCc1ccccc1 1539177847 BXDBGFPONKZPIP-ICSRJNTNSA-N 461.588 1.533 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539200874 RAXCDYPRRUBXEM-UXHICEINSA-N 476.647 1.405 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539211960 QIAQILRJNDXFGA-LJQANCHMSA-N 454.556 1.216 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCC[C@@H](O)C2)CC1 1539490327 UYWCCAGBZINMSU-WJMWBRGCSA-N 459.591 1.519 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2F)CC1 1539728769 DOZIDTDYFHSFKC-QGZVFWFLSA-N 466.583 1.947 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ncnn2-c2ccccc2)CC1 1539873633 AAXUATGSIUVHHN-MRXNPFEDSA-N 456.576 1.920 30 10 JDEE C[C@H](CC(=O)Nc1cc(C(N)=O)ccc1N1CCCC1)/N=C1/NS(=O)(=O)c2ccccc21 1539886088 BUANTPIQDCHTCK-CQSZACIVSA-N 455.540 1.842 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(N2CCCNC2=O)CC1 1540863901 IVYUZOJTADOVQF-UHFFFAOYSA-N 491.394 1.722 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1540876239 LHHIGXRHYFNIEB-HXOBKFHXSA-N 478.594 1.678 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1540903975 ICZDPPJIBCGPKQ-UHFFFAOYSA-N 478.644 1.869 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1540916249 UTZIOZYHVQOZCY-HNNXBMFYSA-N 497.672 1.424 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)CC1 1542894600 DVKKZHJJTRADBW-UHFFFAOYSA-N 453.564 1.558 30 10 JDEE CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)NC(=O)OC(C)(C)C 1545991820 APKHKROKPCHPDG-BXTJHSDWSA-N 470.571 1.925 30 10 JDEE CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1548317396 AUZVCLMNGJSDRO-IBGZPJMESA-N 453.528 1.619 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Nc3ccc(OC)cc3OC)cc2)CC1 1558075328 ULFIGFMKSARMLL-UHFFFAOYSA-N 458.540 1.673 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@@]2(O)CCO[C@H]2C)c1 1587697798 XYJLXLPWTAPKKJ-BVZFJXPGSA-N 460.538 1.860 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(C)(=O)=O 1587861627 OTZKYBJUPHLPPC-INIZCTEOSA-N 455.581 1.481 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 1588054288 MYXDTSHFIYDASI-WOJBJXKFSA-N 492.623 1.002 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(CC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588069494 PESDCBIAEIVWQV-HXUWFJFHSA-N 474.631 1.973 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCSC1 1588138582 GBOSJUCONQCPTO-JTSKRJEESA-N 461.588 1.527 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1588811976 NSAOKHBCIOFDHY-VQTJNVASSA-N 462.664 1.446 30 10 JDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCN(CC(=O)NC(C)C)CC2)cc1 1595614557 XMAMNYKIVRQYSS-UHFFFAOYSA-N 478.601 1.938 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1595772727 HAHNOGUWKBLBNH-INIZCTEOSA-N 471.605 1.213 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(C(C)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595830464 CRLGKJALOWNHJT-HDICACEKSA-N 496.634 1.318 30 10 JDEE CC(C)(C)OC(=O)NCCC1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 1611537456 HJHVEWPOBIGRHR-UHFFFAOYSA-N 450.561 1.990 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1617708494 DZSQVWWZMIUJIV-UHFFFAOYSA-N 489.602 1.765 30 10 JDEE CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1648865647 FPSGGGFCIFMWSA-UHFFFAOYSA-N 450.561 1.942 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CCC2CCOCC2)c1 1689868416 GGVCOXFBZTVUJM-KRWDZBQOSA-N 488.614 1.761 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1689982103 HYNMSQCKXBGRQP-FQEVSTJZSA-N 495.565 1.989 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSc2ccccc21 1690104138 NOQMPYROONCILN-PKOBYXMFSA-N 491.639 1.587 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OCCC)nc2)CC1 1690143861 FBXNHPNRFGCFON-UHFFFAOYSA-N 460.542 1.933 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCn2ccnc2C)CC1 1690152192 BIQMSORUVHLBAH-UHFFFAOYSA-N 480.598 1.441 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)CC(F)(F)F 1690528242 YJCGROHNYXGMBX-CQSZACIVSA-N 454.519 1.117 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C/C(C)=C\c1ccccc1 1690670726 HWIQGCDUTFXMJO-BKHFDQEPSA-N 488.614 1.453 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1690675963 LERMDNJMZJPAAD-UYAOXDASSA-N 472.565 1.845 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)Cc2cccc(F)c2)C1 1690684281 CJZKCXDBXQMCTB-HXUWFJFHSA-N 470.549 1.793 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1690715771 UUVOQFZSLCCNJZ-UHFFFAOYSA-N 452.669 1.997 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1690720622 NUIAXXZSWIYJGT-HXUWFJFHSA-N 486.642 1.679 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(F)cn2)CC1 1690724744 VVVACYGBCKURMN-MRXNPFEDSA-N 450.540 1.244 30 10 JDEE CC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CC1 1690797543 HHSQYTFDGXGQOI-HXUWFJFHSA-N 456.572 1.699 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1695930327 HZOIFBKDLZFOEG-HXUWFJFHSA-N 485.614 1.042 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1705563459 YDPQXDZBXDAOHK-HKUYNNGSSA-N 471.583 1.495 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1cnn(CCOC)c1 1705624891 ADZWXPVKVDCLIS-HXUWFJFHSA-N 451.506 1.899 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccccc2OCCN(C)C)CC1 1705648682 WGZYJLVIBAGVDF-JOCHJYFZSA-N 480.613 1.737 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccs2)CC1 1705653378 GMHQJTIASUVTBT-MRXNPFEDSA-N 468.674 1.638 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccco1 1705661566 FDWQEEAPSUHNPI-AEFFLSMTSA-N 465.601 1.912 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1705791888 HEKWJUAGIFNFBR-MHYDHLEJSA-N 467.636 1.811 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705856751 DFWALYVDSMZTJV-QUCCMNQESA-N 488.614 1.712 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1705903277 SANMAXGQFRPNEA-LJQANCHMSA-N 454.531 1.490 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccc(C)cc2)C1 1705925502 QAEQTAUIWCGXBK-WOJBJXKFSA-N 473.599 1.700 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1705936300 NTXQPECVODBBHG-ZDUSSCGKSA-N 462.498 1.772 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1705938589 DIJBDPFAJGPDDJ-VJANTYMQSA-N 455.625 1.522 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H](C)N(C)C 1708751306 FQWQZOOTDTUSFY-INIZCTEOSA-N 470.626 1.387 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C1 1710345452 DHUNJNIXEPEOFL-ZOKDDAQRSA-N 462.601 1.246 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCCn2ccnn2)c1 1722307393 MZYVJTUUGISZKK-UHFFFAOYSA-N 472.557 1.878 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1722308860 RBZPTGBLIYRRLD-LJQANCHMSA-N 469.615 1.886 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1722365165 LFBDYLJQYPVOMI-KDARRYODSA-N 488.610 1.434 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1722375397 OBOMQTWAZRKGHY-HXUWFJFHSA-N 450.467 1.169 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnn(C)n1 1722399887 GVWLHHHBTPEIRW-QGZVFWFLSA-N 453.551 1.427 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)CC=C 1722432378 RRNMDQOMVSLNOR-UHFFFAOYSA-N 454.556 1.735 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCc2nc(C)no2)CC1 1722442026 WABCMNNKOSXCOT-UHFFFAOYSA-N 454.560 1.349 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CCN2CCOC[C@@H]2C)CC1 1722450390 GVFMSZVRSAHAPO-FQEVSTJZSA-N 496.612 1.552 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](COc2ccccc2)C1 1722618886 WVCUQBCWOHYVHQ-LEWJYISDSA-N 491.614 1.861 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1722660283 RFFWABZRVFODIM-SFHVURJKSA-N 452.494 1.999 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1722700016 SNXMGBODZMVKDD-IBGZPJMESA-N 458.994 1.983 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)c(O)c2)C1 1722717439 AWYPLVYTXXSAOE-PXNSSMCTSA-N 493.586 1.155 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](C)(C(N)=O)C1 1722724368 VAWFLIIICMCKCS-KRWDZBQOSA-N 471.381 1.338 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1722731549 NMWPXKJIXPYSHG-DOTOQJQBSA-N 463.535 1.312 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)CN1CCOCC1 1722861653 AOARRUIGAPDNFO-MSOLQXFVSA-N 460.604 1.913 30 10 JDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1729369163 FMGWNRFNIQQMPC-DFYVNMARSA-N 463.585 1.263 30 10 JDEE CN(Cc1ncnn1CC(F)F)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)C1CC1 1729449270 DYWLPOYHFIOORC-UHFFFAOYSA-N 455.473 1.836 30 10 JDEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCC[C@H]2C(=O)N(C)C)c1 1730232199 FETYEVZPOOYKDH-SFTDATJTSA-N 467.574 1.625 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1CCN(C(=O)OC)CC1)[C@H]1CCS(=O)(=O)C1 1740618405 HABASMFJZQZYNR-SFHVURJKSA-N 475.571 1.952 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CCCn1cc(CO)nn1)[C@@H]1CCS(=O)(=O)C1 1740619897 MKDZIVSQCLLHIX-LJQANCHMSA-N 469.571 1.054 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCNC(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1740623308 REHYAHLCHDWNJC-LJQANCHMSA-N 479.566 1.100 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1740626290 TUMCOHSENMEHOC-GOSISDBHSA-N 456.959 1.987 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccnc1OCC(F)F)[C@H]1CCS(=O)(=O)C1 1740626539 BSTIJUOTFUPOOJ-DLBZAZTESA-N 481.525 1.844 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(=O)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740628569 YVYWTWJPZGGCJU-LEWJYISDSA-N 485.610 1.457 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@H]1COCCO1 1740632914 RCTVSILGGLMDAM-SFHVURJKSA-N 456.572 1.425 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1\N=CC=CC1=O 1740649728 AQKLMZGNMTXKNB-LSDHQDQOSA-N 459.466 1.843 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC2(CCCCC2)O1 1740671294 CXPVRQJPHPLSEJ-RTBURBONSA-N 465.620 1.952 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CCNC(=O)c1cc[nH]n1 1740682005 HVNUSSKRBJQMRJ-UHFFFAOYSA-N 472.347 1.947 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1740684393 PSYNMEQDDFLIHF-VXKWHMMOSA-N 466.586 1.697 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(=O)NC(C)C)CC1 1740694512 LTPVXDJZGIKSLR-LJQANCHMSA-N 473.622 1.672 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@](C)(O)C2CCCCC2)CC1 1740704314 LPBHIRMUYNGDCK-XMMPIXPASA-N 453.591 1.976 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)C(C)C)CC1 1740706508 ZJHBFTVZWVGPME-LJQANCHMSA-N 494.662 1.259 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCN(C)CC(F)(F)F)CC1 1740709854 MMHMSJRWPSCNQH-QGZVFWFLSA-N 456.513 1.980 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1740711338 LQGDHNQMKFJTEM-IBGZPJMESA-N 489.667 1.874 30 10 JDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1740868131 FFOYUHDSXAYYOF-KRWDZBQOSA-N 452.563 1.681 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1740899072 FLWKZACFOVQKDX-GVDBMIGSSA-N 457.622 1.007 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740956756 PJALEWRBJLLKHF-AWEZNQCLSA-N 452.968 1.371 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1740986024 QAEHNXUCKQLTAS-FQEVSTJZSA-N 486.642 1.826 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)NCCC)CC1 1740991530 YKIROJGSKSSVQV-SFHVURJKSA-N 453.609 1.516 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1740993422 ALPUKNKTEXWTII-NRFANRHFSA-N 479.534 1.628 30 10 JDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N(C)C1CCCCC1 1747664455 ANUYEWPVBCIHGA-UHFFFAOYSA-N 479.585 1.903 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CC2(C(N)=O)CCOCC2)c1 1748692878 QSSQTUAQKAKGMW-HXUWFJFHSA-N 480.569 1.858 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1748787562 FJBUCZKWLIYWGO-QZTJIDSGSA-N 480.635 1.886 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1748804427 HODCLQMPOCKZAY-UTKZUKDTSA-N 479.628 1.646 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1748808643 FGZDJBUZUAPVAV-INIZCTEOSA-N 461.519 1.553 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1748814452 GIMVYAKIXYDEKV-HXUWFJFHSA-N 478.578 1.617 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1(COC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1748818130 WCKRKRFMYWBOSS-RBUKOAKNSA-N 498.671 1.404 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1748971173 GECRUDMWEBLMNA-IBGZPJMESA-N 459.545 1.753 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C(C)C)N1CCOCC1 1749054570 WHCFOTFQWMZNIO-DBXWQHBBSA-N 452.625 1.237 30 10 JDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1749169335 VYLFNMIUNXEOEN-ICSRJNTNSA-N 466.590 1.880 30 10 JDEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749393191 NPXRLHVWOPGVKP-KRWDZBQOSA-N 454.531 1.466 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1749730495 GGSBIRUSYDXRFJ-INIZCTEOSA-N 470.555 1.868 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1749731448 DPOOGIKGYIKRID-QZTJIDSGSA-N 467.636 1.904 30 10 JDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCCCCCO)[C@@H]1CCS(=O)(=O)C1 1760187385 VOSZANYLWXFZOE-NQIIRXRSSA-N 474.583 1.970 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1760190943 XCPOVVJARPSCOE-OAHLLOKOSA-N 461.510 1.316 30 10 JDEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CCS(=O)(=O)N(C)C 1760207753 VHEGGDFLRZEOFE-UHFFFAOYSA-N 480.388 1.584 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1760269214 BQFPXMXGEVJJNJ-TYPHKJRUSA-N 491.658 1.741 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC2CCOCC2)c1 1760289350 OOIMHGYBKIABRK-UZUQRXQVSA-N 488.614 1.882 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccccc1F 1760294680 DHGZEUXTKVKWKH-KSFYIVLOSA-N 459.547 1.741 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1760356804 XGFSMAQONNBLRV-SFHVURJKSA-N 470.578 1.727 30 10 JDEE C=C(C)COCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1760361168 UPHQVGZQSPUNMF-HZPDHXFCSA-N 487.533 1.724 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1760552534 RGTURHOCLGTOFM-UHFFFAOYSA-N 475.619 1.612 30 10 JDEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1760734449 FAVHBXYEGFQOFI-JOCHJYFZSA-N 493.033 1.977 30 10 JDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1766847826 FBEIPZWBNYBUSW-YDHSSHFGSA-N 491.662 1.253 30 10 JDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1769221080 AZIBAWVMOSKVHY-GOSISDBHSA-N 465.558 1.274 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)CC1 1769922275 DBNNVMBRXGOAQG-UHFFFAOYSA-N 481.601 1.900 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1772660326 AOFFFRBTSXWTAU-FQEVSTJZSA-N 467.555 1.519 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1772660449 XUBMUIMBLMXUTQ-TZIWHRDSSA-N 492.598 1.947 30 10 JDEE CS(=O)(=O)N1CCC(C(=O)N2CCN([C@H](C#N)c3cccc(Br)c3)CC2)CC1 1857957304 NPZBSNRNZLJPDO-GOSISDBHSA-N 469.405 1.830 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)Cn2cnc3c(nnn3Cc3cccc(OC)c3)c2=O)nc1C 1870104307 QZWUDDMRGFBLSV-UHFFFAOYSA-N 495.521 1.791 30 10 JDEE CC(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCCN2CCOCC2)CC1 1870349620 VFGUEBQQYJRWMS-UHFFFAOYSA-N 493.608 1.685 30 10 JDEE CC(=O)NCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCC2(CC1)OCCO2 1870349912 ITXXKYOKAVMDQH-UHFFFAOYSA-N 466.538 1.774 30 10 JDEE C=CCn1cc(OCC(=O)OCCOCC)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870671355 SNEJTXMHKMWFIV-UHFFFAOYSA-N 456.543 1.710 30 10 JDEE N#Cc1c(NC(=O)COc2nonc2CC(=O)NCCCn2ccnc2)sc2c1CCC2 1872649853 RJRKILSFQBEQLB-UHFFFAOYSA-N 455.500 1.454 30 10 JDEE C=CCNC(=O)c1nc(C(=O)N2CCCN(c3ccc4nnc(-c5cccnc5)n4n3)CC2)cs1 1891283080 AJVZYJBTQYZIRX-UHFFFAOYSA-N 489.565 1.911 30 10 JDEE C[C@@H](C#N)CS(=O)(=O)Nc1c(I)ncnc1I 2008292161 UETFMWWIQWJCLA-YFKPBYRVSA-N 478.053 1.587 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)n1 2255796294 OQADCUSNWWILHV-UONOGXRCSA-N 456.374 1.053 30 10 JDEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C 2267011312 CZJLGRPMYCFVHD-INIZCTEOSA-N 451.373 1.813 30 10 JDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267716863 ULJOLWFBXQEVKU-HUUCEWRRSA-N 488.437 1.960 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)[C@@H]1CCOC1 2268700155 JYXLUKRKBSQEKQ-CHWSQXEVSA-N 468.385 1.375 30 10 JDEE CO[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268712248 RKHSCIZYMTUYRJ-CHWSQXEVSA-N 468.385 1.612 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C3)n1 2281955357 KLWVWDRQLIPRLK-SOUVJXGZSA-N 461.372 1.632 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)n1 2282593062 LPXBYIZCKSPRCU-HZPDHXFCSA-N 464.372 1.566 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)n1 2282619654 URBUBTOSQCABOS-KKUMJFAQSA-N 461.372 1.632 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 2288588482 PLOZKLSBZHVAFG-UHFFFAOYSA-N 461.368 1.786 30 10 JDEE NC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccc(C(=O)O)cc1 2325917341 IAIBYPYOXWEWQC-GOSISDBHSA-N 478.534 1.952 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)[C@H](O)C1 2357503991 ANRNMDQBEKDYFY-HMOKWFRKSA-N 466.384 1.804 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1 2362354887 FEFPBXRVTANQHR-RRFJBIMHSA-N 464.372 1.113 30 10 JDEE Ic1cccc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1 252617361 KRDASABWKNTXOC-UHFFFAOYSA-N 495.325 1.595 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CCN1CCOCC1 603797660 LXYSTHSYODDUJW-UHFFFAOYSA-N 492.523 1.066 30 10 JDEE CCc1cccc(OC[C@@H](O)Cn2c(N/N=C/c3ccc(O)cc3)nc3c2c(=O)n(C)c(=O)n3C)c1 606630640 YOXJAFSYZWFJIP-JMJNUIHMSA-N 492.536 1.588 30 10 JDEE N#Cc1ccc(N2CCC(NS(=O)(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)nc1 608981215 ZKJJGTLUECVECP-UHFFFAOYSA-N 475.596 1.685 30 10 JDEE C=CCn1c(=C(C#N)C(=O)c2ccc3c(c2)OCO3)sc(=Cc2cnn3ccccc23)c1=O 729670832 MEIKYPPBPIRNJH-UHFFFAOYSA-N 456.483 1.858 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1286323927 MRZDQXHXIZXSSB-IBGZPJMESA-N 474.587 1.150 30 10 JDEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286346223 QKMVPMFRCCYJPK-AWEZNQCLSA-N 457.332 1.268 30 10 JDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1286369467 RCMIHNGQPROJOU-SFHVURJKSA-N 477.569 1.629 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1286381318 LVVGRDSHKUJKBR-KRWDZBQOSA-N 481.538 1.004 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCSCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286385658 YFPPZJNOVSGYRN-CRAIPNDOSA-N 496.577 1.852 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1286389403 JHWQFOPGLFVRLK-PDDLGQBUSA-N 459.572 1.205 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(=O)N[C@H](C)CC)c2)CC1 1286471093 IBIDFPLEHNANRS-LJQANCHMSA-N 465.602 1.748 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C)o3)n2C[C@]2(C)CN(C)C2=O)n1 1286471647 PXQZVSXQQODTCE-QHCPKHFHSA-N 451.531 1.808 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](Cc2ccccc2)OC)CC1 1286478484 BCHVYCKLNNHPEQ-NHCUHLMSSA-N 457.600 1.193 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1286793923 PWBBQHWMXZYRMN-NNMXDRDESA-N 489.665 1.536 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ncc(Cl)n1C 1286814421 RWICPXFFGLXNBJ-UHFFFAOYSA-N 455.972 1.138 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(C)c2C)CC1 1286819603 PLTHMBBPXJHCCA-LJQANCHMSA-N 472.615 1.773 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCOC[C@@H]2C)c1 1300332739 MMLBMYYQOKLDKD-HQRMLTQVSA-N 450.543 1.958 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300488543 FDNFTULSJDGXTH-MRXNPFEDSA-N 499.515 1.795 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)CC1CC1 1300511889 QJRNDPDKAHRQCK-UHFFFAOYSA-N 450.362 1.933 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1300989642 DJWGYEJKGVNFEY-KRWDZBQOSA-N 469.608 1.830 30 10 JDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)c1)C1CC1 1301314469 WZBXWTNUURFCJX-QGZVFWFLSA-N 460.604 1.928 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCN(C)C1 1301334486 MXTWMWPFMKHNKS-DEOSSOPVSA-N 454.575 1.782 30 10 JDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1301467520 XFSPACDYRAQAMM-UHFFFAOYSA-N 473.647 1.347 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1301521057 YTIYHZQVXNNTLN-GOSISDBHSA-N 454.579 1.980 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2Cc3ccccc3C2)CC1 1301568857 YQYRFFKBHQISGC-UHFFFAOYSA-N 486.642 1.307 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1301578920 KNRPFQOBHBXVTJ-UHFFFAOYSA-N 496.597 1.894 30 10 JDEE CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1301889932 CQVVCFNCBLBEIO-FQEVSTJZSA-N 486.598 1.516 30 10 JDEE C#CCN(C(=O)Nc1cnc(N2CCOCC2)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 1310631677 UDONGCQIJZHTMJ-CQSZACIVSA-N 457.350 1.335 30 10 JDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1313585211 COVUZNSSPQDPKA-WIYYLYMNSA-N 472.615 1.798 30 10 JDEE CCN(C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)CC1)S(C)(=O)=O 1313623809 DYIZRULCIZBHOJ-GOSISDBHSA-N 489.646 1.929 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCOCC1 1359016789 LZGSSXHLEKWONF-PZJWPPBQSA-N 489.617 1.927 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(NC(=O)OC(C)(C)C)COC1 1359107262 HWBSQXYGXDTJGC-HNNXBMFYSA-N 472.612 1.584 30 10 JDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1359282859 VCKLAAMQCVXIII-UHFFFAOYSA-N 453.613 1.189 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1359284332 IFYKCDVXXLYCIT-HXUWFJFHSA-N 473.647 1.598 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ccc(Cl)cn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359305371 BKVRGSDOBDDTOH-QHCPKHFHSA-N 490.008 1.996 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1359332322 UYVJCPUMTPAFHZ-WOJBJXKFSA-N 494.662 1.253 30 10 JDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cccc(I)c2)n1 1463630823 DSHKUYQOGIDHEU-UHFFFAOYSA-N 459.309 1.958 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCC(O)CC4)cc3)CC2)cc1 1464023135 FHZIPEIXIVDTAZ-UHFFFAOYSA-N 454.552 1.666 30 10 JDEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](COC)OC)CC1 1503261763 DLWCJORGDJDISG-HXUWFJFHSA-N 476.603 1.728 30 10 JDEE CNS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1503835147 GAQAYRSRHVPQPF-UHFFFAOYSA-N 458.592 1.153 30 10 JDEE CO[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)(C)C 1503982169 HWKOEOIASWYGGO-ZWKOTPCHSA-N 452.563 1.884 30 10 JDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1504747947 AHRIGTUUZGULFN-HSZRJFAPSA-N 453.547 1.598 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc(-c2ccccc2)n1 1507616683 LXBVVXZBZHEGNN-SFHVURJKSA-N 456.528 1.384 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1507621497 BAMXDTUVMSUYKD-XLAORIBOSA-N 471.649 1.341 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1507633352 RUUPNLBTYULDBE-MSOLQXFVSA-N 487.582 1.312 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1507640835 WRANLHMIFLJJRS-RXVVDRJESA-N 472.567 1.838 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCN(CC)CC1 1507668880 DXWNYANAPNCIFW-NRFANRHFSA-N 460.648 1.061 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CN(Cc2ccccc2)CCO1 1507679851 RWHPPFVSZMWQPW-UYAOXDASSA-N 460.604 1.249 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(C)CN(C)C1=O 1507711296 STOCCHMTLNQUBI-HSZRJFAPSA-N 452.563 1.016 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCCN2CCOCC2)CC1 1507737029 YETPBVKBLBMCSS-UHFFFAOYSA-N 451.575 1.418 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(NC(N)=O)cc2)CC1 1507737031 YFFJGMHFAYKMQZ-UHFFFAOYSA-N 460.542 1.788 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CC(C)(C)O)CC1 1507737904 GVPKZKQOMGYRME-UHFFFAOYSA-N 491.596 1.973 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1507808733 UXJXKLQATANKSA-SCTDSRPQSA-N 474.587 1.920 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(N)=O)C1 1507810734 XVBPZHJRYBRRPO-MDZRGWNJSA-N 458.588 1.953 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(-n2cncn2)c1 1507820433 CZWCRMHCOPBHOB-FQEVSTJZSA-N 486.602 1.642 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1507840291 YXUKTXWMWQLFLD-IEBWSBKVSA-N 459.572 1.656 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1508091124 LSTLPUBYQQQHRL-QFBILLFUSA-N 489.598 1.841 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1 1508103054 DRVRVLGNIZAKIX-GOSISDBHSA-N 459.572 1.856 30 10 JDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1515286136 GTGOAXWICBPAKU-UHFFFAOYSA-N 455.526 1.888 30 10 JDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1CCS(=O)(=O)CC1 1516585336 CRUQSEYOUAWVDD-UHFFFAOYSA-N 459.576 1.233 30 10 JDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC(C)C)CC1 1516807835 HBPQKJBPPKPDLE-UHFFFAOYSA-N 460.604 1.798 30 10 JDEE CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1)S(C)(=O)=O 1517069355 HPRCQDITJZWFQX-UHFFFAOYSA-N 480.616 1.112 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN(CC)S(C)(=O)=O 1538971635 CPMFXOCNDKVOBX-INIZCTEOSA-N 495.675 1.676 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCCS1(=O)=O 1538983454 SEODQWKNJAUTBU-CRAIPNDOSA-N 450.586 1.774 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1539094381 OZCXXISGQXPREV-QGZVFWFLSA-N 490.605 1.974 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1539221846 RILFDRKHLBXKFW-UYAOXDASSA-N 471.583 1.633 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N(CC)CC)nc1)[C@@H]1CCS(=O)(=O)C1 1539222691 XCLCLKTVVPSCMN-MOPGFXCFSA-N 485.614 1.145 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1539428696 VWZIEQBXFZGGBG-LJQANCHMSA-N 482.589 1.841 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCCN2CCOCC2)CC1 1539430541 LADRPUPSXWKDJW-DEOSSOPVSA-N 460.623 1.186 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCC(=O)N(C)C)CC1 1539480645 DCLFWQYYCONPIY-HXUWFJFHSA-N 466.542 1.235 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nccs2)C1 1539498220 RCJSUEXFOPREOP-KGLIPLIRSA-N 456.619 1.289 30 10 JDEE C=C(Br)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCNS(C)(=O)=O 1539579718 OZJLSWOTOIQWHN-UHFFFAOYSA-N 496.229 1.940 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1nccs1 1539630482 FJPXVUQMLWHHEC-LNLFQRSKSA-N 496.659 1.728 30 10 JDEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539909675 OTYZMMWJBJHJOD-UHFFFAOYSA-N 478.605 1.733 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ncnn2-c2ccccc2)C1 1540884973 ZBHWPMSQYLNMKG-FUHWJXTLSA-N 472.575 1.299 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)NCCC)C1 1540892801 RKCJWCBRDBUEHH-ZWKOTPCHSA-N 478.594 1.894 30 10 JDEE C=CCN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)CC1 1542975189 OZXNQKSFXWXXGT-UHFFFAOYSA-N 450.605 1.402 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)C1 1547786621 DUYLAXDHQUGGKY-GOSISDBHSA-N 460.560 1.162 30 10 JDEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOC2=O)C1 1554522798 AWMQCRCCIUGBMF-GOSISDBHSA-N 468.514 1.960 30 10 JDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1587842664 TVXUMCCPMVAKCA-UHFFFAOYSA-N 450.591 1.967 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1588040267 LDYZOPNBWMVJNO-INIZCTEOSA-N 475.571 1.115 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1588069436 NYPCKPXBCHQEOI-QGZVFWFLSA-N 460.556 1.407 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)N1CCSCC1 1588124270 IIOQTHUUYRMOEW-UHFFFAOYSA-N 495.634 1.582 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1CCS(=O)(=O)NC 1588194652 YVNVHANSHRTPRG-UHFFFAOYSA-N 480.388 1.728 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1588628506 KFJBDTKSWNUUKH-GOSISDBHSA-N 450.547 1.433 30 10 JDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(C)(C)CN(C)C)CC1 1588805892 CVFHPEPCFOLKQV-UHFFFAOYSA-N 472.663 1.581 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccnc2OCC(F)F)CC1 1588877155 XGRVNOMSKDKYTD-ICSRJNTNSA-N 476.528 1.845 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC[S@@](=O)C(C)(C)C)CC1 1588955440 XBWAIADLVZCTHV-JGCGQSQUSA-N 456.616 1.777 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1593696603 UFGQXDYRHNHNMX-IERDGZPVSA-N 467.567 1.718 30 10 JDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(NS(C)(=O)=O)CC1 1593722848 XVWAPSRRCBMNPL-UHFFFAOYSA-N 477.587 1.827 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(N3CCOCC3)CCSC2)CC1 1594192258 GLCJEIADDIHZGG-UTKZUKDTSA-N 484.692 1.499 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1595877808 AZBHBCIRHFJWPK-KRWDZBQOSA-N 456.572 1.816 30 10 JDEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCO2)CC1 1596297484 RMVXHZCVJKFMFS-JOCHJYFZSA-N 467.574 1.508 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(S(C)(=O)=O)CC1 1597479126 AJNGJZOBUPWLCW-HOTGVXAUSA-N 480.591 1.656 30 10 JDEE COc1ccc(OC)c(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)c1 1619308245 FSBLLBYSGFQHKI-HNAYVOBHSA-N 478.575 1.272 30 10 JDEE CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1634189381 HYHWBJFUNUINEK-UHFFFAOYSA-N 453.423 1.714 30 10 JDEE N#Cc1cccc(-c2cnc(CNC(=O)c3ccccc3S(=O)(=O)N3CCOCC3)[nH]2)c1 1635916807 BGOFSKUAFQNFQY-UHFFFAOYSA-N 451.508 1.899 30 10 JDEE COc1ccc(C2=NO[C@H](CNC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)C2)cc1F 1681945003 GPZAGUXYXXQDQX-ZBFHGGJFSA-N 453.478 1.909 30 10 JDEE C#CCN(C)CCCNC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 1682963566 JSWCPXCCMCVECR-UHFFFAOYSA-N 451.365 1.637 30 10 JDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1689961464 YVBUKPNHSDGABZ-INIZCTEOSA-N 454.556 1.740 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](OCC)C1CCCC1 1689966528 UTGHOTRCVNASLF-OALUTQOASA-N 453.609 1.666 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1689978271 QXYUXAOSIWYMQC-LJQANCHMSA-N 482.541 1.934 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1689979795 HIVWASVRIPSIMJ-SJORKVTESA-N 498.602 1.619 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1689988974 ZRGSREXGOYZVSH-OALUTQOASA-N 457.604 1.482 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689990433 OHXMARWGNIAVNY-MOPGFXCFSA-N 492.623 1.273 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC[C@@H]1C 1690047513 SJAAUTUYDOKTIF-SFTDATJTSA-N 476.647 1.338 30 10 JDEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1690183106 MEJQMPUCAHYYTB-UHFFFAOYSA-N 463.629 1.922 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690243522 LSOJDTJWLQWGEX-APWZRJJASA-N 461.592 1.577 30 10 JDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690284635 NTTIBOXEROAQHI-UHFFFAOYSA-N 481.648 1.675 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1690309961 OQCLJDLPPNAHMO-IBGZPJMESA-N 488.614 1.641 30 10 JDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690471248 YQFLVKJXLOLABG-UHFFFAOYSA-N 454.535 1.466 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)O 1690577578 JZZCDYWKVRKDJS-MRXNPFEDSA-N 455.606 1.636 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1 1690622262 LRWZDKBPCBBKBE-SFHVURJKSA-N 469.995 1.952 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(C)=O)C1 1690668926 OBBCENQKILHIQA-SFHVURJKSA-N 492.584 1.643 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1690678182 NMRXKWWBISKISS-REWPJTCUSA-N 489.665 1.299 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCOC[C@H]2C)C1 1690711980 LMSZQZVRUSDVHI-MSOLQXFVSA-N 460.604 1.772 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1690717321 BTZJEYUANMRBFN-MRXNPFEDSA-N 453.952 1.151 30 10 JDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)c2ccco2)cc1 1697407239 DYSOBWVKELEPAN-LJQANCHMSA-N 450.499 1.824 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1705516920 LHDHMNJCPUKWDC-HXUWFJFHSA-N 476.647 1.118 30 10 JDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705523208 MSQFBMHWZRRQPP-UHFFFAOYSA-N 486.020 1.922 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(NC(=O)C2CCC2)c1 1705552261 WUNYHYASYSGLSY-HXUWFJFHSA-N 486.598 1.467 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1705559229 VBMQUNOZDKWKKH-GOSISDBHSA-N 457.556 1.198 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1705566587 OLWHZYHTYAWSKO-MOPGFXCFSA-N 493.630 1.666 30 10 JDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CCC[C@H]1CO 1705616862 HOLXEIHOKWRLQW-QFIPXVFZSA-N 450.587 1.865 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)COc2ccccc2OC)CC1 1705639594 RVEGYXIBKMJSHG-PMACEKPBSA-N 487.626 1.659 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1705655993 UDBMWBVULJZEEQ-HOTGVXAUSA-N 484.669 1.973 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(C)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705908464 BZCCQBMIRRORCC-CALCHBBNSA-N 461.567 1.020 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCS(=O)(=O)c2ccccc2)C1 1705925361 OOMMCPTTZHOHSO-MOPGFXCFSA-N 494.639 1.826 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C)c2ccccc2C1 1705928191 NJGBEWRLTSNYGS-UHFFFAOYSA-N 458.588 1.571 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCNS(=O)(=O)Cc1ccon1 1722297203 YPZPPJOMMIUXBW-KXBFYZLASA-N 472.527 1.356 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCC(=O)NC(C)(C)C)c1 1722307432 NVGYQRRZARMTGN-UHFFFAOYSA-N 479.585 1.762 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2(O)CC(OCC)C2)c1 1722308974 IHICSGYMPKBLAG-SZTYLXMGSA-N 466.542 1.215 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1722358919 GSQVORXEOQTZFW-NFBKMPQASA-N 458.584 1.940 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC1(S(C)(=O)=O)CCCC1 1722381463 BJCWYOVXPWFWRT-UHFFFAOYSA-N 450.568 1.947 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(C)CN(C)C1=O 1722389959 NHHGTWLCWOSWQL-XMMPIXPASA-N 451.527 1.912 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)Nc2c(C)cccc2C)CC1 1722430128 XYMFBVZHQBXZPD-UHFFFAOYSA-N 472.553 1.936 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccc(F)c2F)CC1 1722431973 RGGVRLKHOKUVHR-HNNXBMFYSA-N 452.531 1.164 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@](C)(O)c2ccco2)CC1 1722443286 GCMLTVFEKBBKJZ-RPWUZVMVSA-N 471.558 1.397 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN(C)c2ccccc2F)CC1 1722448825 ZCEASIDWGNIVJD-HXUWFJFHSA-N 481.576 1.861 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1722508589 STPICYNTTPHASV-SIKLNZKXSA-N 468.606 1.707 30 10 JDEE C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN(CC)CC)CC1)c1ccccc1 1722540472 FGMHAUBPZZISSH-NRFANRHFSA-N 465.602 1.933 30 10 JDEE C=C(C)Cn1c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722554244 ZERPHTJNJAVLKV-WIYYLYMNSA-N 453.609 1.899 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCN2CCC)CC1 1722580285 CKYATAQSTQJNMX-VQTJNVASSA-N 466.652 1.888 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCN(C)C1 1722673260 MOKAHWOWEFEQIK-REWPJTCUSA-N 459.616 1.482 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCOCC1 1722676630 GJSCKOPKTXCANY-SFHVURJKSA-N 477.587 1.257 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(C)C)CC1 1722698249 CGPUYRXBSAZJET-UHFFFAOYSA-N 453.595 1.285 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1722730223 MBUOYKIFRCVQPU-HRAATJIYSA-N 495.627 1.255 30 10 JDEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)OC)CC2)CC1 1728628629 FGIPRWROHZQCMM-HXUWFJFHSA-N 480.617 1.979 30 10 JDEE CCOC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 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1.985 30 10 JDEE C=C(C)COCCn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1[C@]1(OCC)CCOC1 1301002378 YQPOOTHUWVBXBT-DEOSSOPVSA-N 470.574 1.880 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1301043957 FTDHMZXRNPLHAW-KRWDZBQOSA-N 482.994 1.360 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(N2CCOCC2)C1 1301137425 QVXBYBSKXCYMBA-UTKZUKDTSA-N 454.641 1.792 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccco2)C1 1301257969 ICVWKDBDRWXHHJ-IEBWSBKVSA-N 465.576 1.791 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cnn(C)c1C 1301500452 MPMFIEPXZQLTJR-UHFFFAOYSA-N 464.578 1.433 30 10 JDEE CS(=O)(=O)N1CC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)C1 1302467877 CWRZVJSXEDXKQI-AEFFLSMTSA-N 464.979 1.533 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1358913335 LLHXJCAPHMMDIX-SFHVURJKSA-N 496.634 1.472 30 10 JDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1358916314 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C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359183701 RLHWTIRROQCRMO-AWEZNQCLSA-N 467.596 1.011 30 10 JDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1359228457 DLGSFOGZCJVMHR-UHFFFAOYSA-N 451.597 1.204 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2[C@@H]1C 1359333142 PCAQSSYOEMMQLR-QFBILLFUSA-N 495.627 1.293 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C3CCN(C(C)C)CC3)CC2)s1 1446375937 LSDNTXUDALXNLH-UHFFFAOYSA-N 454.662 1.772 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)cc1 1465826580 ZTMNLEQBGBJVOW-IBGZPJMESA-N 457.552 1.620 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)CC1 1468012027 SOLTYOBBQOCJTH-GOSISDBHSA-N 453.634 1.316 30 10 JDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1 1473496345 CVZUVDMROQDMMU-GOSISDBHSA-N 459.572 1.879 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1Cc1nncn1C 1497037269 HAHRRNMCNHCVGD-UHFFFAOYSA-N 480.552 1.711 30 10 JDEE 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C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N1CCCCC1 1539240097 XFSQTUZUMSAKGX-OALUTQOASA-N 458.588 1.781 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCn1cncn1 1539416716 SJARMOIXDWOTKZ-GOSISDBHSA-N 458.567 1.770 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[C@H](O)C2)n1 1539424591 UBQBLVOZZYWHRV-IHPCNDPISA-N 455.563 1.263 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCC(OC)CC2)CC1 1539466726 FDNADTDFDQNSHR-UHFFFAOYSA-N 456.591 1.685 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC(=O)NCc2ccco2)CC1 1539475399 DRSYMAHOPANESH-UHFFFAOYSA-N 476.537 1.829 30 10 JDEE C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)n1nnc(-c2ccccc2)n1 1540647559 AOABZWJEUHWCDA-MRXNPFEDSA-N 451.512 1.306 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCCN(C(C)=O)CC1 1540875379 JTWDCUASJYDINV-UHFFFAOYSA-N 458.588 1.940 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@](C)(O)c1ccc(F)cc1 1541920865 GFQFDCZSBGUIRL-JLTOFOAXSA-N 450.540 1.675 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@@H]3CCS(=O)(=O)C3)CC2)c1C#N 1543001749 ATKCMWGGRSTJKM-KRWDZBQOSA-N 460.608 1.152 30 10 JDEE CCCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NC(C)C)c2ccccc2c1=O 1547214466 ABLSPEHXIAWJGT-INIZCTEOSA-N 464.530 1.318 30 10 JDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)CC1 1555206284 IEDYLURINDSRCS-UHFFFAOYSA-N 481.601 1.395 30 10 JDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1555524286 CXABOYALUYGVCM-QFIPXVFZSA-N 480.617 1.138 30 10 JDEE C#CCCN1CCC(NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)CC1 1586802951 RIYSLDKBQZHJJP-UHFFFAOYSA-N 459.616 1.843 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCCCC1 1587640424 RJOUWXPGTIXRJP-MSOLQXFVSA-N 453.609 1.666 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1c[nH]c2ccccc12 1587989666 MGNIMBVDJKAQDK-FQEVSTJZSA-N 456.572 1.795 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588070013 VFGUCGQWGYXXNM-IFMALSPDSA-N 471.627 1.411 30 10 JDEE C#CCN(c1nnc(COCC)n1CCN1c2ccccc2C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588075083 XDTOPXWKFBEKME-QUCCMNQESA-N 457.600 1.893 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(O)CCOC1 1588613303 VWZHFZYLMDIILA-HXUWFJFHSA-N 465.348 1.954 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1588646037 GIGPWLNVHMEITR-JOCHJYFZSA-N 467.618 1.843 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC2(S(C)(=O)=O)CCC2)CC1 1588898768 BDDVMYSTOOAQNV-UHFFFAOYSA-N 459.572 1.780 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1588907835 HBYQHCKWNZSYPD-JOCHJYFZSA-N 455.950 1.438 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1589708589 PHZIEEHMLZSJQQ-IBGZPJMESA-N 489.646 1.842 30 10 JDEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCS(=O)(=O)N(C)C)CC1 1594218720 QCNJXKHVHFGQLL-UHFFFAOYSA-N 457.564 1.215 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCS(=O)(=O)CC=C)C1 1595714504 OHKVCDDFXLGRMP-INIZCTEOSA-N 470.555 1.976 30 10 JDEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)[C@H](C)C1=O 1607566629 DDNKCXVKKHPNOO-WIYYLYMNSA-N 468.558 1.837 30 10 JDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C[C@H]1C 1615871546 CAYJQANJFGBSRG-IEBWSBKVSA-N 458.588 1.694 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)c1 1665388840 JQDGRPHYTMPNMI-OAQYLSRUSA-N 453.561 1.907 30 10 JDEE COc1cc(OC)cc(N2CC[C@@H](NC(=O)N3CCN(c4cc(C#N)ccn4)CC3)C2=O)c1 1680159751 IDJCWEIUKPJTCP-HXUWFJFHSA-N 450.499 1.608 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1689996458 IMXVQTCLEGCRJO-IQVDJAOASA-N 492.623 1.404 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1689998320 JHGQFKHMWOEHDX-RTXPOLOASA-N 480.631 1.629 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2C[C@H]2C)CC1 1690139587 STPRMTIAZNJFFR-XLIONFOSSA-N 484.626 1.817 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1690622483 QHMKTHGKRGELRQ-GOSISDBHSA-N 457.560 1.652 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(N3CCOCC3)CCCCC2)C1 1690685597 AHURIECHUSSEPI-PMACEKPBSA-N 496.678 1.705 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690726723 JQQWSTCGEINNPD-SFHVURJKSA-N 452.602 1.287 30 10 JDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C[C@]2(CCOC2)O1 1693828328 FDPPBOCPHPXAOM-BTYIYWSLSA-N 494.474 1.791 30 10 JDEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1(O)CCS(=O)(=O)CC1 1696346456 HLWRQSYAHZMBIE-LJQANCHMSA-N 475.571 1.204 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCOCC(F)F)c1 1705504330 SUZHZSBRSKCAPJ-UHFFFAOYSA-N 460.485 1.852 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1705564045 KAMFHQOYKRVRQI-FQEVSTJZSA-N 464.551 1.308 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1705635387 XVNMRLJMRDDBSU-RWUVGJFLSA-N 493.543 1.839 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(S(C)(=O)=O)CC1 1705707186 GJOPVSOBSQESAG-XEYPJELSSA-N 468.620 1.997 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1705896510 OUQYWKZYXONDLN-GOSISDBHSA-N 476.603 1.359 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(c2ncccn2)CC1 1705908638 SREHSDBOSPAMGA-UHFFFAOYSA-N 452.494 1.415 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1705924525 DZKXDVQGVAYCOZ-DLBZAZTESA-N 467.617 1.912 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1705947086 ZOIPZYJEIHGITL-KSZLIROESA-N 471.649 1.393 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1706072523 DQPCKUTXSRNRQV-OAHLLOKOSA-N 472.575 1.116 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1706746679 DCNCFENQPTTWNW-DUXKGJEZSA-N 472.615 1.533 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCCCCC2)CC1 1710989300 GWGCBBZEUHVUMB-UHFFFAOYSA-N 492.628 1.820 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(F)cc2)CC1 1722296749 UZDYPOGTEWOUTK-QFBILLFUSA-N 461.563 1.940 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)CC=C)c1 1722309201 KVDDVRHMIGTDMV-LJQANCHMSA-N 471.583 1.829 30 10 JDEE C#CCN(c1nnc(C2CC2)n1Cc1ccccc1OCCN(C)C)[C@H]1CCS(=O)(=O)C1 1722367248 LLLQDRJFZGJPDA-FQEVSTJZSA-N 457.600 1.771 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1722370767 QCVSEKIYTNMBGT-SFHVURJKSA-N 474.583 1.798 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CCNS(C)(=O)=O 1722394036 PCQSQXULWCZUGZ-UHFFFAOYSA-N 450.362 1.720 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)Cc1ccccc1 1722398119 XYYUQQFHVGUTLT-NRFANRHFSA-N 488.635 1.648 30 10 JDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCn1cc(CO)nn1 1722417485 JHUQCNXLJSWEGS-CALCHBBNSA-N 458.567 1.682 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(N)=O)nc1 1722417541 KVFRYXFOFCWQIA-HNNXBMFYSA-N 485.545 1.209 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1n[nH]c(C)n1 1722427634 WSHUYOAHWHGQCZ-KRWDZBQOSA-N 474.566 1.342 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1722432359 WJLNWDWLVFNTFB-MSOLQXFVSA-N 497.666 1.147 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2CC(F)(F)C2)CC1 1722433723 FBZDJDZTJGZWNS-UHFFFAOYSA-N 478.569 1.996 30 10 JDEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC(=O)NCC(F)(F)F)CC1 1722439491 DKRQRIYCKQPXHR-UHFFFAOYSA-N 459.476 1.784 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2csc(CC)n2)CC1 1722443371 HWEOMSLYXPYVIB-QHCPKHFHSA-N 472.615 1.963 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C)CC1 1722483861 DHJXXYKAEMSBLG-OAHLLOKOSA-N 482.408 1.514 30 10 JDEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722531930 WNWFXUFDVXYOEV-UHFFFAOYSA-N 472.565 1.658 30 10 JDEE C=C(Cl)Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1722558490 PMZKJZQMHGLJEA-YWZLYKJASA-N 452.943 1.544 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)CCOCC2)CC1 1722581104 HGPYTMREVJFSGT-GOSISDBHSA-N 453.609 1.830 30 10 JDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC(=O)N(CCOC)C1 1740610893 OGAVQFQKXQLGEK-ZWKOTPCHSA-N 476.578 1.151 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1740621425 XHCLHMNGPVXSAP-KKSFZXQISA-N 481.981 1.431 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1740627808 SOCSRYPYEXLHJB-RTWAWAEBSA-N 485.610 1.549 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1CCNS(C)(=O)=O 1740682199 NEHXJRPSNRCIBR-UHFFFAOYSA-N 490.811 1.996 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccnc(-n3cccn3)c2)CC1 1740689982 FOHPFFPHEHCRBB-LJQANCHMSA-N 450.547 1.386 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 1740691022 SCQZEXQJRTWHBL-TZIWHRDSSA-N 473.647 1.255 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)CCC(C)C)CC1 1740705971 PGECQIQQEWTYIC-AUSIDOKSSA-N 479.647 1.333 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1740706689 ZMDCVQPLANCOHL-HXUWFJFHSA-N 495.559 1.073 30 10 JDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1740793182 PGAVTCUSMVXUAO-INIZCTEOSA-N 451.531 1.452 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(F)(F)F)CC1 1740793582 USYKJBLXQCIJLY-INIZCTEOSA-N 481.541 1.982 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccn2)CC1 1740843599 LVQUZXQLLGEAAS-KRWDZBQOSA-N 475.619 1.848 30 10 JDEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740865511 OJDCPTDJCJUWBB-UHFFFAOYSA-N 454.579 1.423 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1740957280 ILWMSFZBXOYAGM-UHFFFAOYSA-N 452.519 1.281 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)cc1 1740967575 KUPMEDBWITWISY-MOPGFXCFSA-N 494.639 1.807 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1740991065 NIFKGFPANRAWIX-SFHVURJKSA-N 464.636 1.279 30 10 JDEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1740997762 BTYOXFZJTHAVOM-SFHVURJKSA-N 453.576 1.945 30 10 JDEE Cc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cccc(F)c3C#N)CC2)n(C)n1 1742661555 HDDNJTISKGHUGW-UHFFFAOYSA-N 465.537 1.844 30 10 JDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1748703303 NEWCYVBZKWAEIT-QHCPKHFHSA-N 472.615 1.961 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1748809334 SESNPMBMROGLQB-IERDGZPVSA-N 482.509 1.325 30 10 JDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1748812133 QPZZLNUMGHAEJX-HXUWFJFHSA-N 481.582 1.236 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCNC(=O)C(C)(C)C)CC1 1749003870 YDCJUFNIBQHTOT-DEOSSOPVSA-N 474.606 1.058 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCCS(C)(=O)=O)CC1 1749015533 GICRQOICRADJPQ-UHFFFAOYSA-N 473.599 1.566 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nccs1 1749065982 FKWTWRWAPUBTBA-OXJNMPFZSA-N 464.617 1.692 30 10 JDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749101838 GWTHGJPSTZKYMO-KPZWWZAWSA-N 453.341 1.505 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)NCC)CC1 1749135499 FKLQBQCYADKUIJ-PZJWPPBQSA-N 456.595 1.972 30 10 JDEE C=CCCCn1c(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1749439534 BGFYIIPFKBQQRV-ZCVJKFOLSA-N 460.623 1.885 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(N(C)C)CCSC1)C1CC1 1749519429 KVBIWOONENEQLB-PXNSSMCTSA-N 470.665 1.203 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1749660328 NKVNYIMAIUXIKG-QGZVFWFLSA-N 468.558 1.965 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1749660525 SASKBTYDYOMSQD-LJQANCHMSA-N 481.557 1.849 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1749668918 AUBANVZVQINRKQ-GOSISDBHSA-N 469.521 1.200 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CCC(=O)N(C)C)c1 1760124860 CBLXUJRZIIXGPD-XMMPIXPASA-N 468.558 1.465 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CN(C)CC)c1)[C@H]1CCS(=O)(=O)C1 1760179210 ORQBHYXKNBZSGV-QFIPXVFZSA-N 498.653 1.641 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccn(Cc2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 1760181711 ALGFOJFAESCIHA-OAQYLSRUSA-N 495.609 1.336 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 1760182963 NMBZJTGCCDFCQY-INIZCTEOSA-N 456.553 1.662 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1760187524 WPIYSHVFWDRPSV-XDNAFOTISA-N 454.618 1.243 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)Oc2ccc(Cl)cc2)CC1 1760253360 DPDHXLBGUZKKPZ-IAGOWNOFSA-N 481.022 1.764 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCN(C)[C@@H](C)CC)CC1 1760267163 HZKLCRDGCIEGOX-IBGZPJMESA-N 490.616 1.617 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)C 1760280365 FCWFAZFLLSSQCN-QGZVFWFLSA-N 480.635 1.914 30 10 JDEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760343149 BLTNIKOXEAUPTA-OAHLLOKOSA-N 459.348 1.739 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1760518294 PAOOAHNQOWWEGD-MRXNPFEDSA-N 459.982 1.985 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H](O)C2)C1 1767264163 FQMBTXLZOQPBRU-QKNQBKEWSA-N 488.614 1.798 30 10 JDEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCC(C)C)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865727588 JFIZNQULUGEMDC-KRWDZBQOSA-N 454.527 1.506 30 10 JDEE CC(C)(NC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1)C(=O)Nc1ccc(C#N)cc1 1866645316 WFGOKKPLSDZKLN-LJQANCHMSA-N 489.575 1.666 30 10 JDEE N#Cc1cccc(C(=O)Nc2nc(N3CCC4(CC3)OCCO4)nn2[C@H]2CCS(=O)(=O)C2)c1 1869975425 WSQOIGWXWDJAIO-KRWDZBQOSA-N 472.527 1.105 30 10 JDEE CN(C)CCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN1CC(O)C1 1870324401 JESPHNSHIYYFEX-UHFFFAOYSA-N 471.583 1.026 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)NC[C@H]2CCCO2)nc1C 1872707021 ZEUJVUJGLZUJCR-LLVKDONJSA-N 451.461 1.104 30 10 JDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cccn(Cc4ccccc4F)c3=O)CC2)CC1 1889594718 BBIKVWNSPJDMEL-UHFFFAOYSA-N 480.584 1.908 30 10 JDEE CN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CC(F)(F)CN3C(=O)OC(C)(C)C)CC2)CC1 1890438249 DUFPDQUCSITODU-FQEVSTJZSA-N 484.588 1.890 30 10 JDEE COc1ccc(C=N[C@H]2[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1 2081164758 BPVDJXUNJWJXMH-QMCAAQAGSA-N 465.455 1.197 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2255639462 FRFFDBBDMFUURH-STQMWFEESA-N 453.370 1.542 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H]1CNC(=O)OC(C)(C)C 2255778993 YHCBXUYMVXNWNB-CYBMUJFWSA-N 456.374 1.007 30 10 JDEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256622526 IHHUPAABNAFBMU-VXGBXAGGSA-N 454.358 1.080 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=c1nc(CNC(=O)OC(C)(C)C)[nH]s1 2267455683 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CC(C)(C)OC(=O)N1C[C@@H]2C(CNS(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2282868944 VGWSGLJJGQZIDF-QZTJIDSGSA-N 479.408 1.772 30 10 JDEE Cc1nc(S(=O)(=O)N(CCNC(=O)OC(C)(C)C)C(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282874536 BXJACFZGKUYVNV-UHFFFAOYSA-N 486.444 1.952 30 10 JDEE C[C@H](OCc1ccccc1)[C@H](NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284417476 LQBXAVHTYKZHIL-KXBFYZLASA-N 476.360 1.718 30 10 JDEE CN(C[C@@]1(O)CCCN(Cc2ccccc2)C1)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2286396171 MQZQYBJMXUOURJ-DEOSSOPVSA-N 454.380 1.808 30 10 JDEE CO[C@@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2315647223 XPFGWHBNSIHLNI-ZIAGYGMSSA-N 453.370 1.806 30 10 JDEE COc1cccc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@@H](O)COc2ccccc2)c1O 2318581789 ORJGDQSRKYLBRK-MRXNPFEDSA-N 494.508 1.034 30 10 JDEE CCC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 33753599 UKUCKBKKOVCOJJ-PRQMXQCUSA-N 452.519 1.805 30 10 JDEE CCOc1cccc([C@@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)c1 72444422 IQEHVFLFGCIWII-SJORKVTESA-N 451.483 1.736 30 10 JDEE CCCOc1c(OCC)cc(/C=N\n2c(S)nnc(CCC(=O)O)c2=O)cc1[N+](=O)[O-] 169883585 MFBBDZSUPOLZST-GRSHGNNSSA-N 451.461 1.922 30 10 JDEE COc1cc(C=NNc2nc(N3CCCC3)nc(N3CCOCC3)n2)cc(OC)c1OC(C)=O 725425372 JAVZCMJNPJMPQT-UHFFFAOYSA-N 471.518 1.697 30 10 JDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)Nc2ccc(N(C)C)cc2)n[nH]1 1084001290 QFLSGDCPRXPFBI-UHFFFAOYSA-N 457.564 1.853 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1 1154270767 CSABZXGMGPJLOZ-UHFFFAOYSA-N 454.552 1.197 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)[C@@H](C)[C@H](C)O2 1286377422 WLDXNXBHDQNVRP-FTRWYGJKSA-N 459.572 1.613 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1286383842 ZZNCVBYENLDWFF-IBGZPJMESA-N 471.583 1.588 30 10 JDEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCCNS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1286385369 XADXVRKFGNRHQF-QGZVFWFLSA-N 491.595 1.257 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1sccc1Br)[C@H]1CCS(=O)(=O)C1 1286389679 ONDRJWBMZDUTAX-JSGCOSHPSA-N 498.428 1.728 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 1286389836 ROBPPXILZACWRA-SJLPKXTDSA-N 479.965 1.891 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CCCN(C)S(=O)(=O)CC)CC1 1286475854 ILQCTFNWLBTKOS-UHFFFAOYSA-N 481.626 1.920 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCCN2CCCC)CC1 1286489811 CBBPKFJJVHTYEU-SFTDATJTSA-N 469.634 1.850 30 10 JDEE C=CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)N1CCOCC1)c1ccccc1 1286679496 QGUBKJGNWGHVQM-VQTJNVASSA-N 452.559 1.884 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1286773960 WFNSBNYQGUSAKS-AZUAARDMSA-N 490.630 1.487 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1286819516 NAAYERUCOWIQKE-GOSISDBHSA-N 488.614 1.830 30 10 JDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1288232361 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1300760420 AQOMRKLDKDQOQX-QZTJIDSGSA-N 453.634 1.890 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1301480679 CVPVLNPKQMTIQJ-INIZCTEOSA-N 452.556 1.361 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1301492772 NNXFGTXZOOFDQE-HNNXBMFYSA-N 458.519 1.541 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1301578470 BPXBKTIRWMLEJZ-UHFFFAOYSA-N 489.577 1.754 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCC(C(N)=O)CC1 1301593099 IMSVWOXTJTYANR-UHFFFAOYSA-N 451.524 1.299 30 10 JDEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1358905921 PKIRXIZIVSQPLD-LJQANCHMSA-N 487.630 1.691 30 10 JDEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1358921961 OXBQJRLDHRNUQC-MRXNPFEDSA-N 457.332 1.268 30 10 JDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1358928121 SYDFYWKKSQGOLZ-FQEVSTJZSA-N 455.607 1.413 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1358958386 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C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cccc(O)c2)CC1 1359304349 VZURQZXEQQGBNG-UHFFFAOYSA-N 481.582 1.604 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1359311074 PKLCTHANBLSFSI-KRWDZBQOSA-N 476.578 1.589 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1359341592 BADHJDVAPIOGTK-HOTGVXAUSA-N 460.608 1.977 30 10 JDEE C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 1436052213 FDPMXLHNYFKICH-QZTJIDSGSA-N 450.517 1.383 30 10 JDEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(CC(=O)NCc3cccc(C#N)c3)C2)C(=O)C1 1473399823 CLLDNWKFJVYVRX-HXUWFJFHSA-N 455.559 1.718 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2F)CC1 1503406015 BHFGHXVQSKDSBZ-UHFFFAOYSA-N 484.561 1.569 30 10 JDEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCNS(=O)(=O)CC 1507611289 OOCZLAUFIQNKOQ-UHFFFAOYSA-N 456.366 1.725 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(S(C)(=O)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1507627456 JKTUVMZHMWMMJZ-QGZVFWFLSA-N 480.612 1.831 30 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C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1540888803 YMIGQHUFZOESJF-LJQANCHMSA-N 463.542 1.328 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H](C)C1 1540978777 CEMXQKDHMJUANB-MPHHAOFMSA-N 453.503 1.430 30 10 JDEE C#CCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)cc1 1541065335 KPXDNWPUTPSRLO-UHFFFAOYSA-N 454.508 1.817 30 10 JDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccccc1OCCN(C)C 1543317780 GKQRUUVPLCSBSB-GOSISDBHSA-N 461.574 1.952 30 10 JDEE Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)NCC4(C#N)CCOCC4)CC3)cccc2c1 1565465779 FOLGZLZLYWQOTI-UHFFFAOYSA-N 457.556 1.880 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)c1cc[nH]n1 1587556708 RSWYYFAWXMDXAW-CQSZACIVSA-N 454.922 1.473 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588068951 CQOOCJUMFWEVOI-MOPGFXCFSA-N 464.636 1.004 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CCOCCS(C)(=O)=O 1588104823 AANKIEXXKLJUJL-UHFFFAOYSA-N 465.373 1.842 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2Cc2cnnn2C)CC1 1588762544 JYSHJCMJJBPIIC-UHFFFAOYSA-N 471.363 1.648 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC(=O)NC(C)C)CC1 1588780483 QZNLCYJWYGTPRH-UHFFFAOYSA-N 475.391 1.996 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1588929877 IHJGPCLKYVIBIK-FPOVZHCZSA-N 490.674 1.266 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(CC)ns2)CC1 1588968001 DOXNGTITJSQKPS-UHFFFAOYSA-N 460.633 1.621 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N1CCOCC1 1595075180 APOLVZLDDPNFRF-IBGZPJMESA-N 489.598 1.240 30 10 JDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1595405623 UPADAZWYGKGFHM-MRXNPFEDSA-N 462.551 1.266 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1595682325 ZYYVHUQFJAFMLP-KSSFIOAISA-N 486.392 1.367 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](C(N)=O)C1 1595776828 GEGHICAKSOIKNF-KRWDZBQOSA-N 454.556 1.796 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCCN(C(=O)C2CC2)CC1 1595811770 ABBUSUHBQWZCSF-UHFFFAOYSA-N 458.588 1.313 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(C)no2)C1 1595845694 YVZRRXFLAWORBK-ZFWWWQNUSA-N 455.610 1.883 30 10 JDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1595871077 FEFDFWXTADTJQU-GOSISDBHSA-N 472.619 1.528 30 10 JDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)CC1 1615956134 BJWCDUHPZPEIOK-UHFFFAOYSA-N 452.519 1.511 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1N1CCOCC1 1619912590 HEVPQZUADPNEHN-HXUWFJFHSA-N 488.614 1.432 30 10 JDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(Cc2cn3ccccc3n2)CC1 1623519197 CGBPVHAWWSGHKC-KRWDZBQOSA-N 452.540 1.217 30 10 JDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN(C(=O)c2ccccc2F)CC1 1625685907 CALRKSBZGHGTBT-OAHLLOKOSA-N 458.515 1.785 30 10 JDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 1628305567 KEFITFOWNGYHSM-GOSISDBHSA-N 457.593 1.383 30 10 JDEE 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C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(F)(F)C1 1690103545 DXXFSXOZXBMGDS-JKSUJKDBSA-N 461.535 1.132 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccnc2OCC)CC1 1690150483 JYDTXKKSBNCHEP-UHFFFAOYSA-N 465.558 1.208 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccccc2C2OCCO2)CC1 1690152293 GDLQOUBZXQMICC-UHFFFAOYSA-N 453.543 1.874 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)NCCCC)CC1 1690345843 DXBLZOWUFVJERB-QGZVFWFLSA-N 489.042 1.496 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2ccccc2C)CC1 1690644553 SATNYKNYDGSDLB-HXUWFJFHSA-N 460.604 1.428 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690663704 DCROZCRROJRDBT-UHFFFAOYSA-N 451.531 1.330 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1690689267 AKTSVJFVTZCAGY-CDMIOBSGSA-N 462.572 1.670 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1690714898 XVEIIFDWWSQACU-GOSISDBHSA-N 481.541 1.547 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690723920 DFWQYCWPOASFMG-QAPCUYQASA-N 482.584 1.015 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1705531906 AJWYWVCDWACVEF-SJORKVTESA-N 451.593 1.945 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705568166 ISFPCKHBBBKKEM-OAQYLSRUSA-N 490.674 1.682 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(NC(C)=O)c2)CC1 1705634862 KUWXGIULWREGSK-DEOSSOPVSA-N 452.559 1.692 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@](C)(O)c2cccs2)CC1 1705645200 NSMYMRYKXGUKEX-BJKOFHAPSA-N 487.626 1.865 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cccc(C#C)c1 1705661451 BTMLEFKHCUGMMB-SFHVURJKSA-N 471.608 1.603 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CCNS(C)(=O)=O 1705705025 BRBZWTVDHBGMHV-YJBOKZPZSA-N 454.622 1.600 30 10 JDEE C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705721340 VRTLKESVXJBITI-IAGOWNOFSA-N 454.531 1.540 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1705725712 OASYLKKCBROYAZ-GOSISDBHSA-N 498.650 1.928 30 10 JDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1705885980 ITGZYDFMRKCPCH-UHFFFAOYSA-N 469.594 1.336 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1705895651 NZILDLUHODRPSK-HNNXBMFYSA-N 472.546 1.236 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](COC)C1 1705895912 WWHXVVOXIGPOBQ-INIZCTEOSA-N 450.337 1.861 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H]1c1cnn(C)c1 1705937662 AMPPIKIHJTXQQA-IBGZPJMESA-N 458.592 1.816 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCSCC2)CC1=O 1712492689 GVWCDBIGXQWDKG-UHFFFAOYSA-N 485.614 1.073 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1722369007 XTUCUNZBQHSWCK-KGLIPLIRSA-N 489.044 1.570 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(CC)(CC)SC)[C@H]1CCS(=O)(=O)C1 1722369355 YEHXJXPNMIZBPI-JKSUJKDBSA-N 453.634 1.778 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1Cl 1722412639 CMXFILWGWLGPBM-GOSISDBHSA-N 467.979 1.803 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1722425369 WIPUHLNZGMMBKF-NRFANRHFSA-N 463.542 1.930 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCN2CCCO[C@H](C)C2)CC1 1722429893 UGJBBMJZPHGSSH-HXUWFJFHSA-N 459.639 1.453 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1722431764 NSTLBVGZEAHSGH-FHWLQOOXSA-N 452.625 1.095 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1722445873 ZMZKNDJSTGDHHS-OAQYLSRUSA-N 467.618 1.606 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCc2nnc(C)s2)CC1 1722453580 YLTUOGZXJOSGGG-ICSRJNTNSA-N 487.630 1.761 30 10 JDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1722459775 QUCANFIYJVXRCL-QGZVFWFLSA-N 455.650 1.789 30 10 JDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1722525145 PFSYLCSFUWMWJS-MRXNPFEDSA-N 457.604 1.635 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1F 1722537166 LRGPLXRRXRTDFG-IBGZPJMESA-N 467.567 1.979 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1722559948 MNVCFKFUMXEBIY-RTBURBONSA-N 453.657 1.318 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1722693199 GLOTWHXKHHHPEU-SFHVURJKSA-N 470.574 1.423 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1722694060 KJAVDJKIKGHVNR-OAHLLOKOSA-N 458.544 1.994 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CC(=O)N(C)C)CC1 1722696759 DQRXZSPEBSATKU-UHFFFAOYSA-N 478.557 1.591 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(CCc2ccccc2)CC1 1722701836 GCBOCLYVSFWWAW-UHFFFAOYSA-N 451.575 1.067 30 10 JDEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCSC2)CC1 1722973538 CHUNWQHYCQVMTC-JTSKRJEESA-N 478.619 1.989 30 10 JDEE Cc1nc(C)c(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)s1 1725185289 FGUCMUMXGVRXRD-DOMZBBRYSA-N 453.594 1.329 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccco1)N1CCCC1 1740550651 JFONGFWYXGXRQI-CMKODMSKSA-N 476.603 1.499 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740624735 LLMOQZZXYIAHRO-DLBZAZTESA-N 475.537 1.120 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c(c1)OCCO2 1740657415 RXIVAKVVSNMXSY-JOCHJYFZSA-N 499.593 1.088 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(C)CN(C)C2=O)CC1 1740701151 WHDUZSQUBAEOGZ-RHGYRFJNSA-N 471.606 1.282 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCCO[C@H](C)C2)CC1 1740839269 HXVBWZYGQOMRTB-TZIWHRDSSA-N 496.678 1.514 30 10 JDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740939157 SNJUMBZDVANFHD-INIZCTEOSA-N 463.560 1.594 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CC)[C@@H](C)C1 1740952987 SHIBPHYFZCBANC-INIZCTEOSA-N 474.635 1.379 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1740958596 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C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1749187631 XLAPKSRBWTZRGK-KRWDZBQOSA-N 473.578 1.245 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCc2ccccc2)CC1 1749427720 SXZVBOSQMPRFGM-QFIPXVFZSA-N 488.658 1.942 30 10 JDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1749634052 WUIJDKFITQSXAH-CYBMUJFWSA-N 471.509 1.929 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@@H](C)C1 1749670862 WTSPJIPMLNGTTH-JKSUJKDBSA-N 466.608 1.830 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1749670948 YAXJRHZTLLRPOC-QGZVFWFLSA-N 454.597 1.072 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1749677465 ZVIKGMSTDGQKFV-HSZRJFAPSA-N 465.646 1.970 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(c3cnccn3)CC2)cc1 1749683075 INPAOXLMSBPJPN-SFHVURJKSA-N 498.613 1.618 30 10 JDEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1750689735 AGFMWXXXCVDEFS-DCXXXQMHSA-N 484.598 1.504 30 10 JDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760172100 MMYATHARAYKYPL-KKSFZXQISA-N 467.592 1.012 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1760179777 ZLHWVTPUEZKMJU-OALUTQOASA-N 464.636 1.163 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCN1CCCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1760180674 JBCMBHVYYUUADA-IMSXRSKXSA-N 493.674 1.821 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1760188882 DMKUXJKLEPUADI-OAHLLOKOSA-N 469.489 1.016 30 10 JDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1760189888 QWODKUWUPJWAPC-FXAWDEMLSA-N 454.556 1.792 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760191305 FGFLITXVHGXQAH-IERDGZPVSA-N 479.628 1.303 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@](C)=O)CCC1 1760245640 KGKAABHKBHVAAB-YTTGMZPUSA-N 454.560 1.308 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(F)(F)F)CC1 1760261206 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IAXWQRJKVBNAOK-SFHVURJKSA-N 458.588 1.360 30 10 JDEE Cc1ccc(S(=O)(=O)NCCn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)s1 1761853800 GBQFPRSHSPAYQP-SFHVURJKSA-N 469.568 1.207 30 10 JDEE CC[C@@H](C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC1(O)CCS(=O)(=O)CC1 1761895275 GPISJGCXYRUKGY-LJQANCHMSA-N 486.642 1.925 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CCCCC1)N(C)C 1772564372 MQOSLOZTPUTXHI-RBUKOAKNSA-N 454.641 1.744 30 10 JDEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)SC1=Nc1nccs1 1772718573 YZVBKROYCIIIEN-ZDUSSCGKSA-N 451.555 1.937 30 10 JDEE N#Cc1c(NC(=O)COc2cccnc2NC(=O)NCC(=O)NCC(=O)O)sc2c1CCCC2 1858789343 YBOKKAJKGBPRBO-UHFFFAOYSA-N 486.510 1.233 30 10 JDEE COCCCn1c(C(=O)N2CCC(C#N)(c3ccccc3)CC2)cc2c(=O)n(C)c(=O)n(C)c21 1891982326 MBXFJVSKZHATIX-UHFFFAOYSA-N 463.538 1.773 30 10 JDEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)c1 1891984570 UHTXRDNRXVFHCZ-PXNSSMCTSA-N 455.540 1.880 30 10 JDEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)OC1(C)C 2255606070 UEBUESFBPIHMAM-MSOLQXFVSA-N 470.335 1.523 30 10 JDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC(CNC(=O)C(F)(F)F)C3)cc2Cl)OC1(C)C 2255739071 DHMHIKMBUBXNQT-UHFFFAOYSA-N 488.746 2.000 30 10 JDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2255796168 MPNQVQBUETYFLQ-INIZCTEOSA-N 468.328 1.879 30 10 JDEE CC[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255799421 IHWQMBGBGUWZNA-ZDUSSCGKSA-N 458.390 1.301 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)[C@H]2C[C@H]21 2256620234 GHCXQGHUNMOMNA-QNWHQSFQSA-N 450.370 1.747 30 10 JDEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C(C)(C)O 2256672076 BFYQDLWWLHAFAJ-CQSZACIVSA-N 455.386 1.723 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)=C[C@H]1O 2256674772 MOEWBWGDECPLRY-QWHCGFSZSA-N 451.354 1.965 30 10 JDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)c1 2267012307 RRKHOPJXIZPRJJ-CQSZACIVSA-N 450.341 1.610 30 10 JDEE CC(C)(C)OC(=O)NC[C@H](CO)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267361451 BSGYNPSUMWOVIR-CYBMUJFWSA-N 474.360 1.289 30 10 JDEE CON(CCCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C)C(=O)OC(C)(C)C 2267505760 NIMFESRWIBNYEF-UHFFFAOYSA-N 452.361 1.946 30 10 JDEE Cn1cc(C(=O)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267515967 WMSAXGMRNPEPTO-CQSZACIVSA-N 450.345 1.085 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@@](F)(CNC(=O)OC(C)(C)C)C1 2282328697 BKFSNMAOAHUCLI-UWELNFAVSA-N 488.391 1.393 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2[C@@H]1CO 2282520384 QQPZVHZTEXEIFJ-DZKIICNBSA-N 479.408 1.742 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282537546 SCIPJTIQEUXTHK-OAHLLOKOSA-N 465.331 1.886 30 10 JDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282554384 CRNAKQJQBZSJGF-HZPDHXFCSA-N 464.372 1.474 30 10 JDEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3COC[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282555858 ZIYOVXIFCYRWNY-HZPDHXFCSA-N 462.356 1.180 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2COC[C@H]21 2282692895 FSHNSJFLKIWDFY-MSOLQXFVSA-N 461.368 1.785 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 2282855008 YMOJEEMQDLSGMP-HUUCEWRRSA-N 482.412 1.349 30 10 JDEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282864769 KOSIJNIRNBIBES-HKUYNNGSSA-N 474.436 1.766 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCO1 2283066847 BUADKPFDHQHQIM-HUUCEWRRSA-N 462.356 1.578 30 10 JDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C[C@@H](C1)[C@@H](NC(=O)OC(C)(C)C)[C@H]2CO 2312595796 RUFQISFKPWSYOC-DISONHOPSA-N 451.564 1.883 30 10 JDEE Cc1cc(NC(=O)C(CO)(CO)NC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2344193615 NOBHOEQMNFAMNL-UHFFFAOYSA-N 450.341 1.481 30 10 JDEE CC(C)(C)OC(=O)N1CC(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)(S(C)(=O)=O)C1 2379799691 ADFXLIKOOFTCQE-UHFFFAOYSA-N 481.380 1.353 30 10 JDEE Cc1ccc(-n2nc(-c3noc(CCC(=O)Nc4ccccc4C#N)n3)c(=O)n(C)c2=O)cc1 35402384 IXKVUCZFOMXIEY-UHFFFAOYSA-N 457.450 1.733 30 10 JDEE C=CCn1c(=O)c2ccc(C(=O)NC(C)C)cc2n2c(=O)n(CC(=O)NC3CCCC3)nc12 35481491 WCINJNNSCPDWLF-UHFFFAOYSA-N 452.515 1.194 30 10 JDEE C=CCn1c(=O)c2ccc(C(=O)NCC(C)C)cc2n2c(=O)n(CC(=O)NCc3ccccc3)nc12 64581552 NYFLAPILVUTQSJ-UHFFFAOYSA-N 488.548 1.699 30 10 JDEE COc1cc(/C=C2/CCCc3ccccc3C2=O)ccc1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 504108487 HEZAMMZGYSAMMH-UTZRROADSA-N 456.491 1.477 30 10 JDEE CON[N+](=O)CC(=O)N1[C@H](c2cccc([N+](=O)[O-])c2)N(S(=O)(=O)c2ccccc2)C[C@H]1C 585088942 OLFDXPSRTRRZIF-AUUYWEPGSA-N 464.480 1.360 30 10 JDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 726670108 FMPKODCDKFEOIK-INIZCTEOSA-N 487.534 1.882 30 10 JDEE C#CCN(C(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O)[C@@H]1CCS(=O)(=O)C1 729332469 ZDICNAGDEWBVIF-MRXNPFEDSA-N 453.442 1.822 30 10 JDEE C=C(C)C[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)C(=O)OCC 1176171849 APDYNFSTCGEQSD-QZWWFDLISA-N 458.577 1.671 30 10 JDEE CN(CCNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)S(=O)(=O)c1ccc(F)cc1 1246049307 COTUEPJPDICQPJ-FQEVSTJZSA-N 459.547 1.866 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCS(=O)(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286388093 XZFRNKKMVQIQDB-MRXNPFEDSA-N 482.603 1.924 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CC1(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1286394455 VUNVZFPSUQMVNG-IBGZPJMESA-N 476.624 1.267 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1286394656 JWQJYKQYPSXDSW-SFHVURJKSA-N 459.572 1.182 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](CC)OC)CC1 1286478463 AXAGJNVPRBHTRK-RTBURBONSA-N 462.595 1.767 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1286478606 BUMLIGAISAUBTQ-BDTNDASRSA-N 476.691 1.694 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)NC)CC1 1286555733 LJHVUPNEIDTARK-NSHGMRRFSA-N 465.620 1.514 30 10 JDEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nn(C)c(=O)cc2C1)c1ccccc1 1286677834 KUNOKFKYMXUDCB-IEBWSBKVSA-N 497.625 1.905 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1286779266 HLOAMPBUPMILAA-HUUCEWRRSA-N 482.994 1.502 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1286786710 XTVZATCKKMBGNB-OAHLLOKOSA-N 457.535 1.193 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCSC2(C)C)C1 1286810312 PMDFTZYRBNZRSW-RCCFBDPRSA-N 485.676 1.924 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1286813844 DKSRUOQMKYZGCX-UHFFFAOYSA-N 484.623 1.511 30 10 JDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286833628 JLVHCBJQOJXEGK-UHFFFAOYSA-N 455.632 1.928 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)ccc1F 1298885924 HDCCNOOSGJCTOG-AWEZNQCLSA-N 459.565 1.224 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(COCC)cc1)[C@H]1CCS(=O)(=O)C1 1300495169 DYDUVFVATZAKJU-RTWAWAEBSA-N 458.584 1.994 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cc(C)nn2C)CC1 1300718750 WIOSVKKXLBREEW-UHFFFAOYSA-N 495.609 1.405 30 10 JDEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1301146268 YKAPAJDUAWFGGS-UHFFFAOYSA-N 453.591 1.923 30 10 JDEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301206511 CVGMNISYEHHCKU-AWEZNQCLSA-N 477.338 1.960 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1301483746 VZXSOTMUFUINBP-SFHVURJKSA-N 474.587 1.260 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1301490887 HNVKKQMDAXKDRR-GOSISDBHSA-N 450.547 1.705 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)NCC)CC2)cc1 1301527141 VLCNTOMIGQHSDM-LJQANCHMSA-N 488.614 1.645 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1301589698 WJYWSJKXBSQPOH-IPMKNSEASA-N 486.660 1.424 30 10 JDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1301609623 MFCZDZAXQTYCIV-ZWKOTPCHSA-N 461.636 1.281 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1301659232 BBJGDUIROICALR-VLZBMTSBSA-N 469.590 1.842 30 10 JDEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C1 1302433930 FNDXOSSENRXHDO-HXUWFJFHSA-N 486.598 1.658 30 10 JDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1358906516 JXZZBVDHLLOIIN-LJQANCHMSA-N 498.653 1.941 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)C(C)(C)C 1358949478 CVGALKFPWJJZRT-INIZCTEOSA-N 469.608 1.869 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1358960523 GNDVPNQOQJQQMN-HXUWFJFHSA-N 453.572 1.420 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1358962721 VDGUDQMIZAPVFE-IHPCNDPISA-N 455.584 1.968 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358963831 ORAITXZVTGILGF-QZTJIDSGSA-N 452.602 1.307 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(OCC(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1358966198 JRFUHMODWFIYCA-FQEVSTJZSA-N 485.610 1.373 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1358968019 XTTGAJLRFJDWQN-SFHVURJKSA-N 463.535 1.149 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1359044284 BETGTCROUPAPLP-VWPQPMDRSA-N 483.661 1.953 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1359044638 KWGGIGKUMYRNFW-IBGZPJMESA-N 477.631 1.495 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(N2CCOCC2)C1 1359090394 AHZMKTYVUIAPIG-WEMPKCCASA-N 482.651 1.171 30 10 JDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359123122 OATOAYNKWFZRRB-UHFFFAOYSA-N 450.547 1.266 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)S[C@@H](C)C1 1359133708 YCBVUWKROROFJJ-ULQDDVLXSA-N 459.638 1.534 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359304199 PWSKPFUGPUOCJJ-UHFFFAOYSA-N 497.644 1.667 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1359335112 BCDIWZUTAZBIKQ-QFIPXVFZSA-N 483.635 1.226 30 10 JDEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)C1 1359343500 UYRVXMLGFWYNEF-MRXNPFEDSA-N 466.608 1.784 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nnn(-c3cccc(C(C)C)c3)c2CCC)CC1 1471450515 CKUOBXGVZZHZIN-UHFFFAOYSA-N 458.588 1.569 30 10 JDEE CN(C)CC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1503397956 HIYUEPXIPGCHHW-UHFFFAOYSA-N 465.606 1.582 30 10 JDEE CN1CCCC(C)(C)[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1503679866 GRXJCFKQSAZQAZ-LLGFUMIMSA-N 483.614 1.173 30 10 JDEE CO[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)(C)C 1503965880 BLWNNPKJVPQGPF-AEFFLSMTSA-N 490.634 1.543 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2cccc(Cl)c2n1C 1507539128 RJFXWILYZCRQHJ-WMLDXEAASA-N 492.005 1.657 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2c(C)nn(C)c2C)c1 1507546732 HWRZPSNAAWVRQN-UHFFFAOYSA-N 474.569 1.969 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1507588769 QFKQNANXINUPAR-FQEVSTJZSA-N 492.646 1.396 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CC(F)(F)C1(OC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507621488 AZIJZBBVDUBZQS-MRXNPFEDSA-N 460.547 1.859 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1507640594 UFABAAHTQOCJQS-LJQANCHMSA-N 469.571 1.474 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cn(C2COC2)nn1 1507662616 TWTBIPGFVMTVIN-UHFFFAOYSA-N 455.320 1.710 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(CC(F)(F)F)CC1 1507711428 UUOWSMJRQPXGOR-QGZVFWFLSA-N 477.553 1.541 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CC(c3ccccc3)C2)CC1 1507721656 KSDSAJFOKJMWHX-LWEYNCJUSA-N 456.616 1.837 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1507734570 OOWGONUJYVIKIC-FQEVSTJZSA-N 489.580 1.277 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)N2CCCCC2)CC1 1507738014 HSJNIBAWHKKJFC-LJQANCHMSA-N 455.607 1.460 30 10 JDEE C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1507858663 PMYREMHKGJQQEH-UHFFFAOYSA-N 472.977 1.767 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1508092565 RIHMLJXRTVLARX-BHIYHBOVSA-N 459.572 1.449 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1508134802 WHWZWNNDVMZXJB-UHFFFAOYSA-N 477.612 1.821 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1508142282 BAUNOCAYQPXZSL-UHFFFAOYSA-N 484.582 1.423 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1508144717 SJOSSIBYVKHGTD-ROUUACIJSA-N 459.572 1.193 30 10 JDEE COCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1518894471 AMHQQCRXVXHOSQ-UHFFFAOYSA-N 464.530 1.745 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2=CCCOC2)c1 1539043145 NQNMNTNJPYBWIV-LJQANCHMSA-N 469.567 1.583 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1539179138 NNQSIARKYZVOFT-MJGOQNOKSA-N 457.556 1.415 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539224969 KUQJJAHHCHFHSM-IEBWSBKVSA-N 455.588 1.093 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCN(CC)S(C)(=O)=O)CC1 1539452499 ULXKHNUOBKFULP-NRFANRHFSA-N 488.614 1.217 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(O)(CC)CC)CC1 1539480548 BITMXLNNZGSHHQ-UHFFFAOYSA-N 494.644 1.969 30 10 JDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1539947850 QGGDTIVFYAGAKX-UHFFFAOYSA-N 478.623 1.325 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(Cc3cnc(C)s3)CC2)nnc1[C@]1(OCC)CCOC1 1540876143 IQUSFIPLPFIPAU-QFIPXVFZSA-N 475.619 1.320 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCS(C)(=O)=O)C1 1541987574 BKRRYKBYVGNINU-LJQANCHMSA-N 451.574 1.523 30 10 JDEE Cc1cc(C(=O)NC2CCN(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)no1 1564546867 BBIZIQFRAAIKPT-LJQANCHMSA-N 450.499 1.954 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)n1 1586564542 DTVRCWRKASHYKH-UHFFFAOYSA-N 459.553 1.417 30 10 JDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1587701497 DGMFRGXUHZAHFW-HXUWFJFHSA-N 451.575 1.568 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1588069216 JPGCQUBUXRPKPT-CVDCTZTESA-N 471.583 1.762 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cc(C)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1588069531 PZGXPNZHBYETHD-IBGZPJMESA-N 471.583 1.393 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCN2CCOCC2(C)C)CC1 1588761839 BHAXUYCHWZCXMR-UHFFFAOYSA-N 498.628 1.837 30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1594035299 HDECNRBTKYBSLQ-UHFFFAOYSA-N 480.612 1.445 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@]2(CCOC2)C1 1594788302 KGGGPGKMNBKGED-JOCHJYFZSA-N 462.572 1.937 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(OC(F)F)c1 1594962922 NYJKKEOSCMQWEH-AWEZNQCLSA-N 458.491 1.278 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1595506530 CMOCWHUKBHUPMG-CQSZACIVSA-N 496.490 1.769 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2nncn2C)C1 1595687819 CZRSHABFKKBXKP-KRWDZBQOSA-N 472.575 1.154 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1595789226 PRAQFCVLTZDKKJ-MRXNPFEDSA-N 492.602 1.300 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1595797441 GNYGBNWVNUBRAA-IBGZPJMESA-N 471.587 1.714 30 10 JDEE CC(=O)N1CCN(CCn2c(Cc3ccccn3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1596288427 FCVXFKIFIICUTK-UHFFFAOYSA-N 458.570 1.936 30 10 JDEE C[C@@H]1CCCN([C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)C1 1612780749 FCQKZHRVRVDZMZ-SFHLNBCPSA-N 493.678 1.861 30 10 JDEE C#C[C@H](CO)NC(=O)c1cccc(S(=O)(=O)N(C)c2cc(Cl)c(OC)cc2OC)c1 1625159805 AHXGDRJFKBYGNV-CQSZACIVSA-N 452.916 1.906 30 10 JDEE C#C[C@@H](CO)NC(=O)Cc1csc(NC(=O)c2ccccc2I)n1 1625164993 BLKDYOJJLMNDHX-JTQLQIEISA-N 455.277 1.653 30 10 JDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 1632877138 OKGCKPNYPOORCT-INIZCTEOSA-N 450.001 1.744 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2ccccc2NC(=O)OC(C)(C)C)CC1 1650848992 PSXQXQHSXFPAQA-UHFFFAOYSA-N 450.561 1.578 30 10 JDEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1689881129 HBUKNDYAKUFMPD-HNNXBMFYSA-N 489.349 1.797 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1689982038 GQYVEAJSUWWQKI-MRXNPFEDSA-N 492.403 1.927 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1689986176 KIUDGCGQGKBYGQ-INIZCTEOSA-N 458.519 1.523 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCSCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1689988970 ZREIREBDYVFPCP-IEBWSBKVSA-N 491.614 1.928 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1689994025 PPBQYRQNIAMCAV-RDPSFJRHSA-N 488.610 1.504 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1689994150 SACPEMJIZLMHCP-PXNSSMCTSA-N 476.672 1.992 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1690104497 YIRQFXSLZZGVGO-ROUUACIJSA-N 497.618 1.107 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCn2cc(Br)cn2)CC1 1690132051 FNRQCNWGSYKLNP-UHFFFAOYSA-N 486.422 1.944 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC2(N(C)C)CCOCC2)CC1 1690133908 YJQQJIIOCWYKFS-UHFFFAOYSA-N 456.566 1.862 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1690155147 HBBWBXPNSROWTM-MRXNPFEDSA-N 493.655 1.877 30 10 JDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1690459650 WZWADFYNVHLMDS-UHFFFAOYSA-N 473.607 1.588 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1690464835 LLWVXLXMAKDGMH-QGZVFWFLSA-N 473.665 1.787 30 10 JDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690583599 QPTAWQRBIIWWNN-MOPGFXCFSA-N 462.620 1.897 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690662083 QFDFTBCXZLVRPG-AWEZNQCLSA-N 484.529 1.319 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCN1CCOC(C)(C)C1 1690672434 ROOVWAPMNXUMKW-UHFFFAOYSA-N 462.545 1.996 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1690741996 CRYRWJNHDZHEDS-HOTGVXAUSA-N 466.608 1.878 30 10 JDEE CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)CC1 1695953853 CVSKJOIMYHBROL-UHFFFAOYSA-N 475.575 1.423 30 10 JDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)CCN1S(C)(=O)=O 1698456607 AOECFJVMIWINBO-PXNSSMCTSA-N 474.587 1.768 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705523152 LQZLFNNVSYTVPP-GOSISDBHSA-N 450.547 1.082 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1CC[C@@H](C(F)F)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705559808 FWCLUMMICWCCQV-SQNIBIBYSA-N 473.590 1.774 30 10 JDEE C#CCN(c1nnc(C2CC2)n1CCCNC(=O)c1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1705567321 WMWARKLDTLANOF-GOSISDBHSA-N 457.556 1.308 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705570255 NIJWZDDHVXBSRO-CTNGQTDRSA-N 456.616 1.623 30 10 JDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CC=CCC1 1705626995 QMAUXHDHYZODMJ-UHFFFAOYSA-N 457.604 1.586 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1Cc2ccccc2C1 1705628285 CAVHNAHUMRVWAK-QFIPXVFZSA-N 487.626 1.502 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(=O)NCC(F)(F)F)CC1 1705642511 WHYTVCNMYYKCJO-UHFFFAOYSA-N 464.492 1.908 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(F)cc2F)CC1 1705643563 KNQQDFXGONLETP-UHFFFAOYSA-N 456.497 1.806 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OC)nc2OC)CC1 1705649080 JRUJCGWKXDHRHO-UHFFFAOYSA-N 461.526 1.766 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1705900678 LZEZVGHIQIZZGA-UHFFFAOYSA-N 465.949 1.832 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nc(C)cs2)CC1 1705907732 VMFFRTQOWAXZCE-UHFFFAOYSA-N 455.592 1.533 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1705928961 JKCMTMHTJABQJM-FQEVSTJZSA-N 492.598 1.587 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705936124 KJQMVOFUFWVHQU-UHFFFAOYSA-N 466.608 1.111 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCC2=O)C1 1705939194 AKPUMBPDCVWOIH-HOTGVXAUSA-N 456.638 1.399 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1722360131 ZEPIIDDPZNPVOD-UXHICEINSA-N 478.663 1.698 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c(F)cccc2SC)CC1 1722438347 WJVXRWQVGOPCIN-INIZCTEOSA-N 463.604 1.845 30 10 JDEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722457852 POPOKOPUBFLAFR-NRFANRHFSA-N 465.583 1.839 30 10 JDEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722606156 GGQUJGRVTIRVLE-UHFFFAOYSA-N 470.622 1.477 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1722702831 RTHJFDJHEJDUEO-JOCHJYFZSA-N 451.487 1.062 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccccc1 1722727277 HGXXTIHXDXOKOA-GOSISDBHSA-N 452.602 1.808 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(F)(F)F)CC1 1722727769 LDLNKWFRDFVQPZ-CYBMUJFWSA-N 470.539 1.560 30 10 JDEE CCOC1CC(O)(Cn2c(N3CCN(c4c(C#N)c(C)nn4C)CC3)nnc2C(C)(C)C)C1 1728939988 BYZRHDAGRIIYPB-UHFFFAOYSA-N 456.595 1.746 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)c2ccco2)c1 1740563392 UIVHWCQLWLASFP-UUOWRZLLSA-N 462.510 1.786 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1740615439 DUJCKQYSVOELNM-MRXNPFEDSA-N 461.613 1.813 30 10 JDEE C#CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1740623368 SHEQVWOSDNDKTJ-QGZVFWFLSA-N 478.644 1.911 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1740626589 CABYRAHWAYAJRP-GCJKJVERSA-N 478.546 1.428 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)(F)F 1740671584 KFZFRFLNHYOYOC-AWEZNQCLSA-N 474.484 1.725 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1740692630 NHWSYCJXLLFJPY-NRFANRHFSA-N 494.522 1.606 30 10 JDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740750757 UDMZRNMETCBJRW-MRXNPFEDSA-N 469.384 1.019 30 10 JDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1740879595 ORJLXIOSALTVFW-IBGZPJMESA-N 457.623 1.936 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@@H]1C 1740887168 DOMJGRMVHXUNPP-DLBZAZTESA-N 457.597 1.207 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCS(=O)(=O)CC1 1740952466 FNPKYLMUTYPZHI-AWEZNQCLSA-N 453.952 1.609 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1740958138 IYUSUWUNZAJYTF-KRWDZBQOSA-N 453.547 1.532 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740963977 DAUXDDZCLKWLDL-RHSMWYFYSA-N 463.922 1.173 30 10 JDEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1746433782 HSXBVIVKXREFHD-AZUAARDMSA-N 487.630 1.103 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1748806045 YZYXJEOGQRUXOF-SJORKVTESA-N 498.602 1.619 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1748810227 UPWOXLVNIKSDQO-FQEVSTJZSA-N 485.610 1.839 30 10 JDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1748811316 DSDRVPVDWMLWGL-NRFANRHFSA-N 495.609 1.626 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748812101 PVJPRDHEIODGJV-LJQANCHMSA-N 470.599 1.724 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1748948465 OAIWRKNJQBKCBR-UHFFFAOYSA-N 459.572 1.193 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1748971451 QBPSKVCBWAOCPI-JOCHJYFZSA-N 471.650 1.406 30 10 JDEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1748979095 WABZJIBSBNHJSU-FGZHOGPDSA-N 470.643 1.999 30 10 JDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749220380 GYJAVESJWVBIBQ-UHFFFAOYSA-N 450.547 1.697 30 10 JDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)c1ccccc1 1749242365 HBGOECPOYPVQRI-WMZOPIPTSA-N 459.576 1.158 30 10 JDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1749445317 LTMHUGIREVKOSH-IRXDYDNUSA-N 457.597 1.255 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1749652048 GULGJMWYYJMEKR-KBPBESRZSA-N 465.308 1.462 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1749669386 KBBOEDUYKBHZMX-QAPCUYQASA-N 479.990 1.714 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1749670394 QSAVYKNJOOTEGE-IRXDYDNUSA-N 475.594 1.615 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N1CCOCC1 1751093912 AFSLUCQZESAQOF-ROUUACIJSA-N 475.594 1.990 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2nc(C)no2)CC1 1760138108 RGBLWPJFXAMSMC-SFHVURJKSA-N 477.591 1.490 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1760184288 IMMAGCQLGIBJIQ-HXUWFJFHSA-N 451.552 1.802 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1760187059 HDFUDHUDZRGXOV-RBUKOAKNSA-N 471.583 1.497 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760190429 QPPRLEXWYUCCNF-KRWDZBQOSA-N 463.629 1.719 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1760190666 TZNWGKKJVJPUKO-GOSISDBHSA-N 456.597 1.898 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC2(CCCCC2)O1 1760205880 LYWQPGBZZGJOBH-PMACEKPBSA-N 475.615 1.566 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCCC2)n1 1760252507 OKXKDPOYKOTPQY-LJQANCHMSA-N 460.604 1.853 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1760254845 MYBHCSLJUZIISB-KRWDZBQOSA-N 474.407 1.716 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCNC(=O)c2ccco2)CC1 1760260910 HLSOMNRNMAXEGV-UHFFFAOYSA-N 467.555 1.048 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2csc(C)n2)CC1 1760265898 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1858977253 LNALPVQRGLHDHK-UHFFFAOYSA-N 480.550 1.805 30 10 JDEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)CCCNS(C)(=O)=O 1861880303 CPBMFOIIYOAPOG-FQEVSTJZSA-N 465.572 1.169 30 10 JDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCc2ccccc2F)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865719857 FVUBQSFIKKNQGM-LJQANCHMSA-N 492.507 1.799 30 10 JDEE C/C(=C\C(=O)N[C@@H](CO)C(=O)Nc1ccccc1C#N)c1cccc(S(=O)(=O)N(C)C)c1 1867077251 KBCNPYKUALAXKN-RNTFSAEZSA-N 456.524 1.328 30 10 JDEE N#Cc1ccccc1NC(=O)CNC(=O)c1ccc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 1868144968 XNHOUFBGCDPWMR-NRFANRHFSA-N 481.578 1.236 30 10 JDEE CN(C)CCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN1CCC(O)CC1 1870324729 XHFLUGZMAGKFDY-UHFFFAOYSA-N 499.637 1.806 30 10 JDEE CC(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCCN(C)C)CC1 1870349218 FLINTVPJLPEUEH-UHFFFAOYSA-N 451.571 1.915 30 10 JDEE C=CCN=c1nc(Nc2ccc(I)cc2)[nH]c(N2CCN(C(C)=O)CC2)n1 1871704567 XFLQXDDTTXRGBK-UHFFFAOYSA-N 479.326 1.908 30 10 JDEE C=CCn1c(C(=O)N2CCC3(CC2)OCCO3)cc2c(N(CCOC)CCOC)ncnc21 1873562839 VTMHZOMDNSZMJT-UHFFFAOYSA-N 459.547 1.696 30 10 JDEE C=CCn1c(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc2c(NCCNC(C)=O)ncnc21 1873633897 KKYMMKGJQCTOOC-UHFFFAOYSA-N 461.482 1.643 30 10 JDEE CCN=c1ccnc(N2CCN(C(=O)[C@H]3SCC(=O)N(C(C)C)[C@@H]3c3ccc(C#N)cc3)CC2)[nH]1 1889698452 YDMNEJMNDYTZGZ-PKTZIBPZSA-N 493.637 1.944 30 10 JDEE C=C(Br)CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 2174755449 WFNBXASZVKHCHD-CQSZACIVSA-N 466.398 1.769 30 10 JDEE C=C(CCNC(=O)OC(C)(C)C)CNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2249460058 PYTIMAYWLPEVDE-GOSISDBHSA-N 499.586 1.845 30 10 JDEE Cc1nc(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2255802897 GTDYYQAWSRWWOH-UHFFFAOYSA-N 453.370 1.462 30 10 JDEE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)COC1 2255947963 HEYRWFJFJUSTMF-UHFFFAOYSA-N 474.410 1.619 30 10 JDEE C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O)c1nscc1B1OC(C)(C)C(C)(C)O1 2256617616 KTOGUKVJENXELV-SLEUVZQESA-N 455.386 1.894 30 10 JDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CC[C@@](C(=O)O)(C1)N2C(=O)OC(C)(C)C 2259066763 XFTJPAHXVQJVNL-HLFMIMNKSA-N 451.520 1.968 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)C1 2266976798 HGADMGDZTASSMZ-IRXDYDNUSA-N 450.316 1.835 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CC[C@H]1CO 2267157684 ZXBXIBROYZNOIZ-ZFWWWQNUSA-N 467.397 1.790 30 10 JDEE C[C@@H]1C[C@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN1Cc1ccccc1 2267710641 YTDWOPVOASOHEF-AEFFLSMTSA-N 460.409 1.661 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268705824 JNOPBVXXIMEMKN-UKRRQHHQSA-N 467.397 1.988 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C1 2268775637 LSXYAVAAZBSPNZ-HOTGVXAUSA-N 470.397 1.857 30 10 JDEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2269838678 MJOFMPNQJDKSJU-CQSZACIVSA-N 452.361 1.067 30 10 JDEE 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484.585 1.966 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1CCCSC 839368892 CMZPXIMXHGFJMY-UHFFFAOYSA-N 466.592 1.049 30 10 JDEE C#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1)C1CCOCC1 1131257326 NZYZGYBEHIOPLP-KRWDZBQOSA-N 452.529 1.402 30 10 JDEE Cc1cc(N2CCC(NC(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)nc(C)n1 1148353871 CKYRMLQFGRKBMO-OAHLLOKOSA-N 456.572 1.696 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)CCC[S@](=O)c2ccc(Br)cc2)CC1 1157009035 HXQIDEBBFQOXST-MHZLTWQESA-N 454.390 1.231 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)cc(OC)c1 1286296696 RCZHEHQZAWEYPQ-KBXCAEBGSA-N 451.524 1.265 30 10 JDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1286320428 ABQHBAVZNSADQP-UHFFFAOYSA-N 455.544 1.784 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOc1ncccc1Cl)[C@@H]1CCS(=O)(=O)C1 1286390505 AKYAKYJMXXFFOS-IAGOWNOFSA-N 479.990 1.926 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cnn(-c2ccccc2)c1 1286420295 ORPLSHQIYWBYCK-IBGZPJMESA-N 465.583 1.780 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)CCCO2 1286466762 JTSZGMFIFNCIJG-OAQYLSRUSA-N 489.598 1.070 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1286509318 OUYPDFXQBXAZRO-IRXDYDNUSA-N 492.602 1.594 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCOCC2)C1 1286546366 IUDOCACFJCEVEX-KURKYZTESA-N 453.609 1.876 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300481912 CQMFZRRPROETDG-AVRDEDQJSA-N 468.620 1.761 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1300489866 UMNCJPRCLDDELG-SBUREZEXSA-N 487.582 1.067 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)COC)CC1 1300717070 XGCQZTFQMVALPD-XMMPIXPASA-N 461.607 1.957 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1300726898 SRMXVFIKOQLHLS-LJQANCHMSA-N 466.577 1.798 30 10 JDEE C#CCSCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300778232 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C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(c2ncccn2)CC1 1359334832 RNXXVIWEMBOHTH-UHFFFAOYSA-N 459.601 1.648 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2ncccc2c1 1360476174 IEOBQZPQOWMEBK-JXFKEZNVSA-N 469.571 1.946 30 10 JDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 1435716992 CYBKCUOVGMTBSO-UKRRQHHQSA-N 454.321 1.850 30 10 JDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1449477095 CPABQYUWRODNQR-CFVMTHIKSA-N 458.462 1.094 30 10 JDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@H](CNC(=O)OC(C)(C)C)C1CC1 1467312493 ANIDUAUVCJDZFM-KBXCAEBGSA-N 450.561 1.987 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 1471035558 SNBSTSHGFRYGBZ-LLVKDONJSA-N 459.359 1.726 30 10 JDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CSCCS1 1503437635 BHUVLFRDEFXNQS-GOSISDBHSA-N 458.613 1.960 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507628270 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C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1539477123 IMOFGOOPSLPENK-SFTDATJTSA-N 481.576 1.637 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(N2CCOCC2)CCSC1 1539651074 YLJXLCHFRZMVPQ-XLIONFOSSA-N 472.681 1.499 30 10 JDEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NCCOC)CC1)c1ccccc1 1539759907 NWMBBVBRYIJYKV-UHFFFAOYSA-N 481.601 1.112 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1539848028 KXWGBNCUEJCXJE-LJQANCHMSA-N 464.613 1.930 30 10 JDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1540078082 YKGFONJVNCGXCL-DLBZAZTESA-N 484.623 1.490 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCN(C(C)=O)CC1 1540146889 LBNWGHXPQCVFSW-LJQANCHMSA-N 492.671 1.598 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1540874961 XIDHPCNIXMMLFF-FQEVSTJZSA-N 476.585 1.931 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CCCO1 1540898408 JMDJKPCVNFVDAV-QGZVFWFLSA-N 468.601 1.565 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(=O)OC)C1 1540907021 JMAQHTGDHKPEQU-HNNXBMFYSA-N 481.600 1.260 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@]3(CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540909103 XWBBQEWVWZBBHO-VLCRHTCISA-N 484.619 1.304 30 10 JDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOC1=O 1544574828 BWBARLVMOABUGE-MRXNPFEDSA-N 453.503 1.238 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(CN3CCN(C(C)=O)CC3)cc2)c1 1546212502 XCYSLKXZIWVRJM-UHFFFAOYSA-N 454.552 1.515 30 10 JDEE COCCNC(=O)[C@H]1CN(C(=O)c2ccnn2C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548368081 RCQNXBKTYYTDHZ-GOSISDBHSA-N 464.448 1.404 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2nnc3n2C[C@H](C(F)(F)F)CC3)c1 1558354170 OHRZBMQKOVWRPK-CQSZACIVSA-N 455.462 1.587 30 10 JDEE C=CC[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)C1 1559012228 JEUCZLUFMIEOCG-MRXNPFEDSA-N 455.602 1.549 30 10 JDEE C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)CC1 1559717912 ZXOWGVDBXNAYQH-UHFFFAOYSA-N 458.569 1.315 30 10 JDEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1561108059 FBUGXTQONSPESJ-UHFFFAOYSA-N 455.945 1.915 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2)c1 1569841936 CBMXYICOPVASBX-UHFFFAOYSA-N 450.538 1.282 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(OC)CCOC2)c1 1587693347 RNOPOZVQVXGQRX-MBSDFSHPSA-N 452.515 1.091 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2cc[nH]n2)c1 1587693525 UFVTUGLNBPDXPU-GOSISDBHSA-N 476.541 1.381 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CC(F)(F)CO2)c1 1587693657 VHDBSCFDLBJRHV-SJORKVTESA-N 458.469 1.710 30 10 JDEE C#CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1587705503 FLHOCMYTACZVSI-UXHICEINSA-N 464.570 1.985 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1588069651 RZOFGZXEVDEAGQ-DRKIFQHWSA-N 478.644 1.068 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCO)Cc1ccccc1OC 1593637161 ZDIHRTQVXZQHKU-LJQANCHMSA-N 465.576 1.195 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCSC1 1595085018 OFOSKDMOJCMIKW-IIBYNOLFSA-N 476.628 1.821 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(O)(c3c(F)cccc3F)CC2)nnc1[C@]1(OCC)CCOC1 1595602589 OGIOEOSDRSJZFX-DEOSSOPVSA-N 491.539 1.999 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCN(C(C)=O)CC2)C1 1595700412 NTLBUBYFPABJQD-NRFANRHFSA-N 484.601 1.908 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1595759901 HIRRVOVALVARRT-MOPGFXCFSA-N 456.572 1.761 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(C)C)CC1 1595766170 MNBDAVASYVLYNZ-UHFFFAOYSA-N 495.671 1.727 30 10 JDEE CC(C)(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1597203800 DZSPJKYPACKFIK-CVDCTZTESA-N 489.598 1.530 30 10 JDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(N2CCOCC2)nc1 1611331130 HXPQMKPHVDLHRP-QGZVFWFLSA-N 460.542 1.797 30 10 JDEE CCCOc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(O)CCS(=O)(=O)C2)cc1OC 1614991775 HOMODHUQQKMTKM-OPAMFIHVSA-N 477.587 1.888 30 10 JDEE CCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)NC(C)(C)C)c2ccccc2c1=O 1615901448 GTLRCNHBFCQAFK-INIZCTEOSA-N 478.557 1.708 30 10 JDEE COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cc1Cl 1619272242 GKSPEADUFHVXBD-JSGCOSHPSA-N 454.940 1.327 30 10 JDEE COc1cccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2CCC(=O)N(C)C)c1 1619352404 AJLZFSFENHAVEC-QGZVFWFLSA-N 475.557 1.809 30 10 JDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC([C@H](O)C(=O)OC)CC1 1632297292 GJJDOWVDBJEHIE-KRWDZBQOSA-N 455.305 1.871 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)C[C@@H]3CCN(C(C)=O)C3)nnc12 1648654070 BJRYWBUDQQSMCO-INIZCTEOSA-N 454.556 1.649 30 10 JDEE C#CCN(CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(CC)CC1)C(=O)OC(C)(C)C 1648768826 ZNYWUEUVYXCFDC-OAQYLSRUSA-N 456.587 1.748 30 10 JDEE C=CCN(C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)[C@@H]1CCS(=O)(=O)C1 1658485889 JBWHNYIAKZXBIJ-JIQGDJCJSA-N 454.574 1.706 30 10 JDEE C#CCNS(=O)(=O)N1CCN(Cc2cc(Br)cc(C)c2OC(F)F)CC1 1658788454 PTUFWLUVOBELCM-UHFFFAOYSA-N 452.321 1.944 30 10 JDEE C=CCOc1ccccc1CNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 1677622610 RZORLWLYYAVYQA-ROUUACIJSA-N 452.577 1.433 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)NCC2(COC)CCN(C(=O)OC(C)(C)C)CC2)CC1 1686435583 RZNHLSUPJQBHEZ-UHFFFAOYSA-N 450.580 1.821 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCCn2cc(CO)nn2)c1 1689870277 IVKHBALKOYAMFT-UHFFFAOYSA-N 471.525 1.570 30 10 JDEE C#CCN(c1nnc(C)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1)[C@H]1CCS(=O)(=O)C1 1689979414 AKMUOCCBDNTXOY-AVRDEDQJSA-N 457.600 1.482 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCC=C)cc1)[C@H]1CCS(=O)(=O)C1 1689988177 KSACKWCDAWGONQ-AZUAARDMSA-N 469.567 1.469 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOCCCO)[C@@H]1CCS(=O)(=O)C1 1689998045 ALAWZVDOWZRLIM-GUDVDZBRSA-N 468.620 1.222 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOc1ncccc1F 1690013135 CNXIWYMEFNSQLL-UHFFFAOYSA-N 457.469 1.878 30 10 JDEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1CCS(=O)(=O)N1CCSCC1 1690026983 UXYFXCBLXMHPIZ-UHFFFAOYSA-N 487.651 1.925 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1ncn(C)n1 1690043448 BOZDFAACTVSYDY-UHFFFAOYSA-N 455.526 1.876 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN1CCCO 1690089433 AQOKBKGAQHBPCT-SFTDATJTSA-N 454.550 1.855 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690238712 MUIUKTHVKFJRHE-CVJORQDNSA-N 490.605 1.798 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1690345730 BSTUAYLURQABOV-IBGZPJMESA-N 499.081 1.751 30 10 JDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1690518653 QONUXGAARZZASK-QFIPXVFZSA-N 458.588 1.829 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCc2c(ccnc2O)C1 1690661659 CQJMAGSMXBBXFW-UHFFFAOYSA-N 480.525 1.936 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCn2cncn2)C1 1690688671 ZBOWCDZOCSHVQY-GOSISDBHSA-N 472.575 1.268 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCn2nc(C)nc2C1 1690728933 BLWRJXOUFGUHFM-UHFFFAOYSA-N 471.587 1.995 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1705510752 XYOAUINMVCRKHE-FQEVSTJZSA-N 479.695 1.687 30 10 JDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1705532448 NOGRYVZURMPAHQ-YRXWBPOGSA-N 493.630 1.712 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCC[C@H](C)C1 1705583487 ZCLSACZQJBQDKJ-VQTJNVASSA-N 476.647 1.194 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)c2cccc(C)c2)CC1 1705639653 TXGWZBOWNGXSTO-IFMALSPDSA-N 486.642 1.478 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@@]2(O)CCOC2)CC1 1705645017 ITXGNAIHZPHVLX-BCHFMIIMSA-N 497.596 1.934 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(N(C)C)CCSC2)C1 1705914646 CZYAZUYEOXIKDU-FCEWJHQRSA-N 458.654 1.107 30 10 JDEE C=CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C)C(=O)C1 1705940323 BSUFOZVVELLMSB-UHFFFAOYSA-N 463.633 1.744 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCNC(=O)C1CCC1 1722283765 WUIATAQIWQIBPB-QGZVFWFLSA-N 472.615 1.960 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCn1cc(CO)nn1)[C@@H]1CCS(=O)(=O)C1 1722360925 WWLYISIKQPBZJF-LJQANCHMSA-N 489.989 1.399 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1722364416 ZNVJVNGWSZVTJX-AEFFLSMTSA-N 462.572 1.872 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCOC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1722368974 UUNNYBGMMULTHU-AABGKKOBSA-N 466.604 1.590 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1722369407 YWXQHMVBMZMBJT-HOTGVXAUSA-N 462.601 1.172 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1722369576 BIYSNLNTZBWIJY-ACRUOGEOSA-N 493.674 1.751 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CCNC(=O)Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1722370585 CPXQRWRPVJIZRI-FQEVSTJZSA-N 473.574 1.355 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C(F)(F)F)ccn1 1722640269 KZEAAFLVAXZLFU-MRXNPFEDSA-N 474.509 1.890 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2cccc3c2[C@H](CCC3)C1 1722690037 DELQGUDPEFIIKA-CRAIPNDOSA-N 458.588 1.631 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1722700017 SNXMGBODZMVKDD-LJQANCHMSA-N 458.994 1.983 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722726549 GGICZLUWLYXUME-LJQANCHMSA-N 464.636 1.279 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccnc(-n2cccn2)c1 1723924437 DILCWPQJACVYQV-HNNXBMFYSA-N 455.548 1.257 30 10 JDEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1728628685 GPMUBBPHYJQJTQ-KNQAVFIVSA-N 453.591 1.956 30 10 JDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1729658126 GLSCOMIYWUIEDA-PKOBYXMFSA-N 456.572 1.604 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1COC(C)(C)OC1 1740574744 MXCJDAXGQUSKCE-SFHVURJKSA-N 469.608 1.250 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(CC)cc1)N(C)C 1740609371 JCQFKAONXOYSDQ-NHCUHLMSSA-N 474.631 1.546 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCN1CCCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740625382 NMGNSQFQLBFFFG-UNMCSNQZSA-N 486.642 1.392 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1740629026 YUSWDATXEPLCEY-QGZVFWFLSA-N 489.598 1.265 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1740630466 IIZJQYCZEGAGSN-JKSUJKDBSA-N 452.581 1.122 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(OCC)c1 1740655407 AZPBMOHNEUBHIS-JOCHJYFZSA-N 485.610 1.715 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccn(-c2ccc(F)cc2)n1 1740683717 DCUKUQAWPGOEKA-FQEVSTJZSA-N 451.506 1.883 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(F)cccc2OC(F)F)CC1 1740690450 JDWJRHVHOIZWHJ-CQSZACIVSA-N 486.520 1.432 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1740704736 SWIXXLLDPNMTKE-KRWDZBQOSA-N 458.588 1.074 30 10 JDEE C=C(C)COCCn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1740799353 JQFIRTMRVIDJKC-AUSIDOKSSA-N 463.579 1.351 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1740963170 BLZDYXYWHTWGPD-UHFFFAOYSA-N 452.559 1.916 30 10 JDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1740987029 NVHSUYCLZLLYJZ-UHFFFAOYSA-N 451.556 1.934 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)CC1 1746516625 CGZMJVHNTBEIKQ-DHUJRADRSA-N 499.641 1.288 30 10 JDEE C#CCN(c1nnc(COCC)n1CC1(C(=O)N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1748823833 CEJUQYUZRJTOSZ-KRWDZBQOSA-N 451.593 1.090 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1 1748945713 YFQDDSOAISUDQW-RTWAWAEBSA-N 491.589 1.959 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCCCCO)CC1 1748990254 WKUDDTKFVFKFDM-FQEVSTJZSA-N 476.622 1.894 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1748992839 HRXNZHQZFKPLRL-IBGZPJMESA-N 477.034 1.559 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)CN2CCOCC2)CC1 1749016664 KCLADANRANKUOD-HXUWFJFHSA-N 482.604 1.942 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1749135652 HEWLYMUYVLBXGS-UGKGYDQZSA-N 486.598 1.792 30 10 JDEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)CC1)c1ccccc1 1749382294 LJGNFNAKDMVCAI-FUHWJXTLSA-N 451.618 1.817 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1749755404 YSYZCLAAEMGKCX-MHJFOBGBSA-N 489.690 1.965 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OC)c1 1760128571 MEXLPUUUZJWGKX-LJQANCHMSA-N 494.577 1.688 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1760155348 WCRJOLBGWSWZKZ-FQEVSTJZSA-N 485.610 1.841 30 10 JDEE 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C#CCN(C(=O)CCc1nc2c(c(O)nc(=O)n2CCCC)n1CC(C)C)[C@H]1CCS(=O)(=O)C1 729331278 AUGBQMPGGANWAQ-KRWDZBQOSA-N 491.614 1.336 30 10 JDEE C#CCN(C(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 729332502 ZOKTUZAGLYDPKZ-QGZVFWFLSA-N 454.570 1.179 30 10 JDEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)Nc3ccccc3C#N)n2N)cc1 1084123241 HLPDAWAKKLSQRT-UHFFFAOYSA-N 450.484 1.827 30 10 JDEE Cc1ccc[n+](/C(C(O)=C2C=CC(=NS(C)(=O)=O)C=C2)=C(/S)NCC(=O)NC(C)C)c1 1115984966 GADLXQMLFDHBTM-UHFFFAOYSA-O 463.605 1.791 30 10 JDEE C#CCNS(=O)(=O)N1CCN(Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)CC1 1183509992 BMISOMLOFBZYPV-UHFFFAOYSA-N 454.618 1.627 30 10 JDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286314859 SHLMMNINEWBERC-UHFFFAOYSA-N 450.503 1.250 30 10 JDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286345919 RIDKLPPNZLFDOP-UHFFFAOYSA-N 483.602 1.585 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1286383667 MYXXSSYDUMRJFP-QRGRWYIGSA-N 474.583 1.510 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1286388688 UNASCLOMZXFINR-LJQANCHMSA-N 475.640 1.629 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@@H]2CCCS(=O)(=O)C2)n1 1286472487 YLQFOCVPTIOVQP-IBGZPJMESA-N 483.598 1.648 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@H](C)N(C)C)CC1 1286492213 DUFNAFXQNGGURX-UTKZUKDTSA-N 452.559 1.707 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)C1 1286557579 WHRJUKKHFFVWDF-KURKYZTESA-N 469.608 1.207 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1286587988 XGLSZLUSWNSWLX-KRWDZBQOSA-N 472.615 1.714 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nc(O)c2sccc2n1 1286700460 NMMVMAPLQQXLFC-HNNXBMFYSA-N 493.615 1.924 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1286705380 ZCHILBUWBWHDMM-HNNXBMFYSA-N 458.485 1.612 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@H]2C1)C(C)C 1286750670 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C#CCN(c1nnc(CCc2ccccc2)n1Cc1ccc(C(N)=O)nc1)[C@H]1CCS(=O)(=O)C1 1300501138 HBVRKDZQDZTLGI-FQEVSTJZSA-N 478.578 1.232 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1301424540 LWCFKQPEZNKSCN-LQWHRVPQSA-N 454.593 1.547 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC(F)(F)F 1301481733 OHLULJVKJDUEON-UHFFFAOYSA-N 459.498 1.847 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1301482702 AOONNSXKLZDANL-INIZCTEOSA-N 489.483 1.321 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnccn2)CC1 1301577833 OKPGTXNTGAXPCG-UHFFFAOYSA-N 464.555 1.534 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1301588981 NDIKTWIDTTYFIH-OALUTQOASA-N 464.592 1.102 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC)[C@H](C)C1 1301612539 ZHZPWDWPIIQGIQ-IAGOWNOFSA-N 458.654 1.061 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)s1 1301726149 ORRHOYRRXXYIOK-HZPDHXFCSA-N 461.631 1.264 30 10 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460.538 1.678 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CCC(=O)N2CCOCC2)CC1 1359030206 QMNXPLLNOATPAM-NRFANRHFSA-N 496.612 1.821 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1359122149 ZXHVOGSNJLSNHD-SFHVURJKSA-N 491.618 1.307 30 10 JDEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N(C)CC(=O)N1CCOCC1 1359127522 SJUXBLFDINVDON-UHFFFAOYSA-N 481.395 1.934 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1359132537 ACERBGDKHWGPGE-GOSISDBHSA-N 482.628 1.813 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](CC)C1 1359133088 LHKBGCLNVAIFDE-IRXDYDNUSA-N 459.638 1.536 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1359216076 OJMIHJJUZYBAPU-QUCCMNQESA-N 483.635 1.599 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)CC1 1443356491 NCVYXPDJFNCDBQ-UHFFFAOYSA-N 453.564 1.558 30 10 JDEE C=C(C)CN(CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)Cc1ccc(CO)o1 1460086130 MDSCHKKAGQAHJA-QHCPKHFHSA-N 456.499 1.657 30 10 JDEE Cc1ccc2c(n1)c(=O)c(C#N)cn2CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1473009363 DFMDLUACTMMJPV-INIZCTEOSA-N 456.549 1.854 30 10 JDEE N#Cc1cccc([C@H]2CN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CCO2)c1 1473347452 GCPRVYPCZQLFDG-JOCHJYFZSA-N 454.552 1.465 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1478282300 DEXYERFWAQQJHT-UHFFFAOYSA-N 450.605 1.258 30 10 JDEE CCC[C@H](C)C(=O)NCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1499980823 GMJYHPSSAZZXQH-SFHVURJKSA-N 481.605 1.562 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507657406 XURXXSZHDZWHEC-QGZVFWFLSA-N 452.506 1.970 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1507713144 YUQVTHGCOOJZDP-FCHUYYIVSA-N 466.586 1.697 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1507731997 AKJSAXNXRMWXCV-WOJBJXKFSA-N 499.660 1.368 30 10 JDEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NC)CC1 1507964809 LDZQJBSIDMYQFS-SFHVURJKSA-N 493.609 1.641 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)Cc1cnn(C)c1 1508091378 NNGPJVCEJPRNDO-SFHVURJKSA-N 488.593 1.649 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(=O)NCCC)C1 1508118594 XQJZOFYOCXCIFG-KRWDZBQOSA-N 475.619 1.854 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1508129477 CNFBFQJWZJJHGC-UHFFFAOYSA-N 478.550 1.009 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1508129964 FSJWCLVVMHARPR-LJQANCHMSA-N 477.562 1.832 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2CCOC[C@@H]2C1 1508143802 OBQGIFSOGPMONX-FQEVSTJZSA-N 475.615 1.596 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1508146157 UYUJIIHHCUJOBU-HZPDHXFCSA-N 470.542 1.988 30 10 JDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)(C)C)CC1 1516006220 CNULQAAAFUHLJS-UHFFFAOYSA-N 452.563 1.831 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCC2)C1 1516020767 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C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2COC)CC1 1539477568 RBEPBBRPDZXNEX-FQEVSTJZSA-N 450.543 1.390 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1540902122 AZHXPRZCQJKWIV-OALUTQOASA-N 459.572 1.878 30 10 JDEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1541763596 FRACYUMTRDXHTD-UHFFFAOYSA-N 464.530 1.740 30 10 JDEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO2)C1 1555814236 DAOADBBGNCRGEW-UYAOXDASSA-N 474.587 1.673 30 10 JDEE C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1556482956 BCDCCBUSZGQAMD-WMZOPIPTSA-N 454.390 1.816 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1587808738 WIIZPYKKMHIDML-QGZVFWFLSA-N 498.613 1.273 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC2(CCCCC2)O1 1587988889 DFALYAPFFOLHEK-ROUUACIJSA-N 451.593 1.562 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1588064557 KLHUPKHCJBJCGX-KRWDZBQOSA-N 461.569 1.740 30 10 JDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCOC[C@H]1C 1588245605 KVHFSDPGWNJFCU-RUZDIDTESA-N 489.668 1.826 30 10 JDEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCCC(=O)N(C)C)CC1 1588857052 IFMVRANHXCCBNE-UHFFFAOYSA-N 492.672 1.266 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(COC)cc2)CC1 1588930177 OYXIXTNUHLZUJU-NRFANRHFSA-N 485.610 1.341 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2CC2(S(C)(=O)=O)CC2)CC1 1588961529 CJCQOWUGCDURRR-UHFFFAOYSA-N 499.637 1.963 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1589070000 PVMPSHHMVLBWIL-FGTMMUONSA-N 455.650 1.092 30 10 JDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1589382564 OFKZCVAPPJKEQH-HNNXBMFYSA-N 473.397 1.617 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CC)CCOCC2)CC1 1594097142 MTDIXPSIJLWIRC-SFHVURJKSA-N 453.609 1.974 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1595476105 HXLTVIDSGZKUDC-HNNXBMFYSA-N 499.638 1.026 30 10 JDEE 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C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)n1 1507715789 CZGGPGLOEUIPMF-VWLOTQADSA-N 474.569 1.366 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C(C)(F)F)c2)CC1 1507721909 MZHSSCMKICTIRV-MRXNPFEDSA-N 466.558 1.804 30 10 JDEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507953883 NBUMYBZTMICTSS-INIZCTEOSA-N 456.572 1.692 30 10 JDEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCN(C)C1)C1CC1 1507993198 OUNKAMQKSLGASH-WZONZLPQSA-N 462.595 1.808 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1508086196 YHWSGUYGWRGGMH-UHFFFAOYSA-N 459.510 1.299 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCOCC1 1508140236 GYNGPCSUTGJUCH-UHFFFAOYSA-N 469.608 1.830 30 10 JDEE CS[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1519731083 GQHGICTVFVREBI-SFHVURJKSA-N 469.615 1.549 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCCS(C)(=O)=O)c1 1539043909 WIPWPHZPWVTZJF-GOSISDBHSA-N 459.572 1.663 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@]2(O)CCO[C@@H]2C)c1 1539045197 AOZIKMPJQCTBEX-IQGLISFBSA-N 460.538 1.860 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(O)CCN(C)C2)c1 1539046629 XDHWCZPNPDYNAX-RUZDIDTESA-N 476.585 1.263 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1539072249 NXZNIVAFLXRANP-RTBURBONSA-N 480.635 1.156 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1539204732 COFDHAKYEJQFKV-KKXYHZGYSA-N 466.604 1.108 30 10 JDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1539215537 DZQNQCCSHGOGLI-NHCUHLMSSA-N 484.582 1.419 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2ccc(C)cc2)CC1 1539447149 OVYICUKQQPEAAR-UXHICEINSA-N 457.600 1.711 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC[S@@](=O)CC)CC1 1539488580 MDQSHCBBLKOSNF-YTTGMZPUSA-N 457.600 1.900 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)N(C)C 1539540079 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1557699211 IDHPUGFYUSHLSQ-UHFFFAOYSA-N 451.458 1.966 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CN(C)C(C)C)CC1 1587860983 DQJBWXSWDIRHJL-HXUWFJFHSA-N 466.652 1.581 30 10 JDEE C#CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1588053314 CINJEGHSPYCZAN-ZWKOTPCHSA-N 495.646 1.790 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1588069089 HDTVUZKTKWRVOV-DLBZAZTESA-N 475.596 1.241 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cn(CCCC)nc2C)CC1 1588961679 IJDAAKQSGCYZTA-UHFFFAOYSA-N 480.617 1.720 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1589481724 BVPUCPXXHNIGBZ-NMLBUPMWSA-N 476.622 1.765 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(F)(F)F 1589544001 DQDFOWMGIXTUID-ZNMIVQPWSA-N 467.514 1.591 30 10 JDEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1595405344 KVLHTYYAGOXONQ-GHTZIAJQSA-N 470.574 1.640 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1595477482 VNOILIAMSUPEQP-IJEWVQPXSA-N 468.605 1.218 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1595570123 YGMHXKMRLIAEJD-UHFFFAOYSA-N 471.537 1.177 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1595798007 KWCHDHJMMHYDEB-ZWKOTPCHSA-N 454.593 1.405 30 10 JDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1598122840 CLDITJQKRYBRBM-SFHVURJKSA-N 473.603 1.355 30 10 JDEE CCN1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1615808166 FMAXCTSJEFQLTB-RTBURBONSA-N 465.624 1.225 30 10 JDEE C#C[C@H](NC(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)[C@H]1CCCO1 1616963167 CIKMGSUZWXIKKH-YTQUADARSA-N 456.568 1.842 30 10 JDEE CN(Cc1ncnn1CC(F)F)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1618025488 FHYCOHSUCWZGKU-UHFFFAOYSA-N 485.499 1.559 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@H](F)C1 1619912369 ARBQKLHHBGKPFS-ULQDDVLXSA-N 458.560 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1.664 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C(=O)N(C)C)CCCC2)C1 1690700111 NRBOOUNDYZOTML-QZTJIDSGSA-N 465.620 1.610 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)N2CCOCC2)C1 1690712027 LZKDFOLEMUVSJF-ZWKOTPCHSA-N 460.604 1.772 30 10 JDEE CC(C)(C)[S@@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1691322643 ICZXOWKARUCLHI-JSRFKQPZSA-N 470.603 1.370 30 10 JDEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1695428993 CISKBRNZLSJVPC-KRWDZBQOSA-N 453.503 1.286 30 10 JDEE CCN(C)C(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1695500726 AYAXFCJHCGVZOF-UHFFFAOYSA-N 491.531 1.741 30 10 JDEE COc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1697452751 CUQCLCCOWQDOJI-SIKLNZKXSA-N 474.587 1.798 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)CC)c1 1705506031 XZWTZGCHEBIABT-UHFFFAOYSA-N 455.544 1.170 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCc2cccnc21)[C@H]1CCS(=O)(=O)C1 1705558776 HSRGYNMYMHQXRT-MOPGFXCFSA-N 470.599 1.558 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705559068 PUICUODJSXYYEQ-MJGOQNOKSA-N 464.636 1.308 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1705562363 ATMIHHFZTPEAKU-ROUUACIJSA-N 452.964 1.887 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1705571336 YEVYRHZGHGXNBH-IBGZPJMESA-N 479.002 1.691 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCC(F)(F)F 1705618563 MADRHYBONNKKLV-UHFFFAOYSA-N 466.439 1.972 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCN(CC)C2)CC1 1705631867 CDAUDCXYQOQTGP-HXUWFJFHSA-N 470.021 1.959 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1705636463 LMFMGJCBBMEMFU-XMMPIXPASA-N 452.559 1.586 30 10 JDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1705638247 DNIWXCLVTMZWHY-GOSISDBHSA-N 485.589 1.922 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705652289 VABIPKQKTZJMTM-HXUWFJFHSA-N 460.585 1.307 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](N2CCCCC2)C1 1705896167 DCLKOGNGVXOFJB-LJQANCHMSA-N 472.615 1.715 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1705902470 FPWNORDYKZZXNW-QZTJIDSGSA-N 453.547 1.643 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](Cc3noc(C)n3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705909242 RCTLDWFGTBDBGJ-WZONZLPQSA-N 473.578 1.771 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1705932574 HBDIPODQOLGVEY-IBGZPJMESA-N 475.615 1.856 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1705936812 YVNSHBCWIRHKPW-VQTJNVASSA-N 467.636 1.669 30 10 JDEE CC(C)N(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1706549585 HCPVPVRHYUQSGV-FQEVSTJZSA-N 486.646 1.504 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCC[C@@H]1C 1706886631 BYKMHZSKGXMESS-XSLAGTTESA-N 487.634 1.701 30 10 JDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1709829070 DETMIUOVZTWMDI-UHFFFAOYSA-N 461.530 1.320 30 10 JDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1711302139 DZUVPPIQSUWFAE-FUHWJXTLSA-N 453.547 1.130 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1722363005 YHHPTQTVJIFTCD-KKSFZXQISA-N 459.597 1.880 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722369754 GCZHPVZSAAGFIN-VWPQPMDRSA-N 488.610 1.880 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722371443 JAXXPVNUYFVHFB-VQTJNVASSA-N 485.614 1.662 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(F)cccc2OC(F)F)CC1 1722447522 IYOTVAQKORBHBB-KRWDZBQOSA-N 490.486 1.984 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCOCC2)C1 1722603962 RBROEHHGFHRPFB-GOSISDBHSA-N 453.609 1.974 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1722700906 YMQVPHDFGHGPBT-ZBFHGGJFSA-N 463.464 1.975 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1722728780 XYPFUUNHRJBYOO-YJBOKZPZSA-N 495.627 1.431 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1722736952 NUWICJXBCFHFJM-VQTJNVASSA-N 466.652 1.335 30 10 JDEE CC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1 1722791407 UBZZNUFJXAYITK-RTDLDRDPSA-N 499.522 1.731 30 10 JDEE Cc1cccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1724547081 AJQWISCEPYVULL-FGZHOGPDSA-N 459.572 1.845 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1740550225 IBWQXZZYSGQVSJ-ZOBUZTSGSA-N 478.644 1.699 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1c(F)cccc1SC)[C@H]1CCS(=O)(=O)C1 1740624059 DQUIPELWDGXJEX-INIZCTEOSA-N 491.614 1.937 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1740628178 OHCNOKHMTODZMX-IBGZPJMESA-N 484.582 1.698 30 10 JDEE C=C(Br)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740748932 UPBQFNYKYVPNKA-INIZCTEOSA-N 489.374 1.530 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2ncccn2)CC1 1740943746 IMXJZXVPYVKHRW-UHFFFAOYSA-N 454.560 1.498 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1740950692 DCXDXFIPLBJZGK-IBGZPJMESA-N 460.579 1.371 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(CNC(C)=O)CC1 1740955133 MXOSZQJLKMHXGJ-UHFFFAOYSA-N 456.547 1.617 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCOC1 1740969898 XLIMXXJXVGEWRS-NQIIRXRSSA-N 491.614 1.697 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1740991709 CGOZNBAYFSBRTQ-KRWDZBQOSA-N 453.609 1.468 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748821718 UBUMZMQWKDPGAQ-RBBKRZOGSA-N 471.627 1.411 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1748825179 WGLCSDMCAHXHHZ-VJANTYMQSA-N 454.593 1.300 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1748846133 DCVDGNPLJQCODR-FGZHOGPDSA-N 480.638 1.464 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1cnc2c(Cl)cnn2c1 1748948855 YPWKHLMROHYIIX-UHFFFAOYSA-N 456.938 1.539 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1748960367 IZFPRVKALRLSQS-GOSISDBHSA-N 458.563 1.882 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)c2ccco2)CC1 1748994748 PRYBMRDIAWWBHF-QFIPXVFZSA-N 454.556 1.526 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ncc(CC)s2)CC1 1749010193 OYDJVSRHNQFQON-KRWDZBQOSA-N 455.588 1.457 30 10 JDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749047214 QRGQFDNQOMQZRF-NRFANRHFSA-N 498.609 1.999 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H](C)CC(N)=O 1749124020 KRFLRXKITJBSGC-VPWXQRGCSA-N 451.535 1.602 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1749427291 OHMXYBHEYIVQGQ-HXUWFJFHSA-N 494.662 1.949 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)(C)C)CC1 1749458309 YWIKEIUNXJWSLB-SFHVURJKSA-N 470.640 1.124 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1749658082 LHMGGVVGBUVSQL-UHFFFAOYSA-N 452.968 1.419 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1749740531 WDZHQLZHQFMGGE-IAGOWNOFSA-N 466.491 1.711 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(OC)CCOC2)c1 1760128203 BNADAKDKHRDYRG-FDDCHVKYSA-N 487.582 1.042 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1SC 1760174625 GXBSCSDYIIGZJZ-INIZCTEOSA-N 453.565 1.590 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N1CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1760179492 SHWYFXDKACUXMI-UYAOXDASSA-N 484.626 1.494 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1760182974 NOKOULJXLJYWDC-LJQANCHMSA-N 458.588 1.461 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760190455 WOCIRJCJWWSAOI-GOSISDBHSA-N 452.540 1.831 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1760192160 RKWGHYYOYKKJFN-FQEVSTJZSA-N 457.600 1.622 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1760192389 UGERNRHWZGLECD-LJQANCHMSA-N 498.634 1.842 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC(C)(C)C1 1760244949 MLHAKYPTISRYPO-UHFFFAOYSA-N 475.615 1.545 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1760261152 HRCYQLJICIPGTF-OALUTQOASA-N 492.646 1.335 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC2(CCCC2)C1 1760548615 LVUUFOSFVMGMQR-INIZCTEOSA-N 459.638 1.650 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1760549063 VPMUZRCGHRPKGH-UHFFFAOYSA-N 480.679 1.915 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2nccs2)CC1 1760554842 OMLZCLDFAIMPFG-MRXNPFEDSA-N 485.657 1.622 30 10 JDEE CC(=O)N1CCN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1760617296 FXNFOKAVMWYJNH-GHVJWSGMSA-N 463.542 1.258 30 10 JDEE CCC(CC)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1764031072 AGEKZCDDCWUIKC-IBGZPJMESA-N 487.630 1.979 30 10 JDEE CCN(C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC)CC1)S(C)(=O)=O 1764835751 AUMMWHKFZMBCGJ-UHFFFAOYSA-N 489.602 1.115 30 10 JDEE CCOCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1767738204 APKFTEVVGXHVDV-IBGZPJMESA-N 487.630 1.836 30 10 JDEE CNC(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CC1 1767742478 IDYIGHVUIQNVFC-DEOSSOPVSA-N 468.558 1.887 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1768292711 HUOHDYQXERJGIO-XJKSGUPXSA-N 472.493 1.912 30 10 JDEE N#Cc1cccc([C@H]2CN(c3nnc(-c4cnccn4)n3CC(=O)NCC(F)(F)F)CCO2)c1 1770735249 GJOXTBIFDPOHMI-QGZVFWFLSA-N 472.431 1.863 30 10 JDEE N#Cc1ccnc(N2CCN(c3nnc([C@@H]4CCCCO4)n3CC(=O)NCC(F)(F)F)CC2)c1 1770740408 GINXHKNRDBSCTO-INIZCTEOSA-N 478.479 1.791 30 10 JDEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)[C@@H](C)N3C(=O)c4cccnc4C3=O)sc2c1 1866240225 HDKKHDXQFTYTTL-LLVKDONJSA-N 471.520 1.779 30 10 JDEE Cc1ccc([C@H](C#N)NC(=O)CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 1867682715 GCIKTPNKMMFYRW-FQEVSTJZSA-N 490.969 1.780 30 10 JDEE C=CCn1cc(OCC(=O)Nc2nnc(C)s2)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870570398 BSOHLPFIWFTHTG-UHFFFAOYSA-N 482.570 1.324 30 10 JDEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccccc3S(=O)(=O)C(F)F)CC2)CC1 1889499204 OJHBHAMALWGCIJ-UHFFFAOYSA-N 469.554 1.555 30 10 JDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)[C@@H]1c1ccc(C#N)cc1 1891235450 ZQXZUWWTKPDIIZ-VXKWHMMOSA-N 490.651 1.978 30 10 JDEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)NC[C@H](O)Cn2ccccc2=O)CC1 1891387708 QKDJSAFWXGGULS-INIZCTEOSA-N 453.524 1.830 30 10 JDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2266990946 YYXXZBGJAYHOBC-CYBMUJFWSA-N 465.381 1.639 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267093146 QZUFDXFMYIIWLJ-OAQYLSRUSA-N 450.345 1.201 30 10 JDEE CCN(CCCOCc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 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1.498 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1540872398 OLDUTIRKNLQORL-UHFFFAOYSA-N 476.603 1.040 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCCC2)nc1 1541115652 CJZSZFQBGWHKQO-HKUYNNGSSA-N 488.618 1.250 30 10 JDEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(C(N)=O)CCOCC1 1541968581 DPFPAAYXKUGHEA-QAPCUYQASA-N 458.494 1.568 30 10 JDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1543310573 ASIJORLJTXNJGV-QGZVFWFLSA-N 450.469 1.443 30 10 JDEE COc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(=O)N2CCOCC2)cc1OC 1554855687 BTWWONHEEQWWHB-QHCPKHFHSA-N 454.531 1.951 30 10 JDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 1561406837 NCYBVDBATAXFML-UHFFFAOYSA-N 459.373 1.340 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)c1cc[nH]n1 1587556707 RSWYYFAWXMDXAW-AWEZNQCLSA-N 454.922 1.473 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1587575476 WAXRWWGVAUZRLM-SJCJKPOMSA-N 456.366 1.054 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 1588024892 PJYZFQFKCLHXJK-NRFANRHFSA-N 484.626 1.564 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1588070209 XHKBTFNUINVYTL-LEWJYISDSA-N 488.610 1.906 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCOCC1 1588138426 CKPPDSUBJJJBPD-VQTJNVASSA-N 472.590 1.380 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)N(C)C)CC1 1588962156 WSPOFIYXHRZGLJ-UHFFFAOYSA-N 458.950 1.565 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2nn(C)c(=O)cc2C1 1593694853 AVCDDHYAWKNQQS-UHFFFAOYSA-N 450.503 1.175 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@H](CO)O1 1595099887 KQCFJINOYFSPMJ-QHAWAJNXSA-N 471.583 1.784 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)Cc1cc(C)on1 1595536981 KJUVXPOUUONFNJ-UHFFFAOYSA-N 462.514 1.910 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1595562042 LYVNFUXCPABUSJ-UHFFFAOYSA-N 463.571 1.529 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1595577629 ZCWJBCBZHZRRBP-UHFFFAOYSA-N 485.614 1.553 30 10 JDEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1595871807 ZPNYEQXZQTYBJB-UHFFFAOYSA-N 453.572 1.873 30 10 JDEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1 1615999733 IDSWDOIECINLNL-UHFFFAOYSA-N 467.530 1.533 30 10 JDEE CSC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)CCOCC1 1620222839 GWBATIYYVAPPAC-HOTGVXAUSA-N 472.637 1.262 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)c1 1629335423 VXGBYSFNSKKTPO-UHFFFAOYSA-N 450.605 1.507 30 10 JDEE C#C[C@H]1CC[C@H](NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)CC1 1637334581 TUCYBXYFUZZHNN-IIAWOOMASA-N 459.490 1.926 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1689978572 ZAANVDMHSXLVKK-QGZVFWFLSA-N 476.628 1.457 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCC1(F)F)[C@H]1CCS(=O)(=O)C1 1689980163 MXQCYJWOJUPDKI-XHSDSOJGSA-N 493.602 1.341 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CC(=O)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689980696 WHEKWCHKKVOETJ-IBGZPJMESA-N 457.600 1.861 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(OC)c1)N(C)C 1690019726 QFMHGBOQFVDADE-FPOVZHCZSA-N 455.584 1.565 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1690104498 YIRQFXSLZZGVGO-ZWKOTPCHSA-N 497.618 1.107 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1690113163 BGYOQHZHKFLZND-JOCHJYFZSA-N 498.575 1.845 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(C)(C)COC)CC1 1690124369 KCJHFHSMMWEMTB-UHFFFAOYSA-N 452.607 1.880 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1690124969 XTJNLQFCHVJECO-OALUTQOASA-N 462.645 1.300 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCCOC)CC1 1690144075 LDRSLATWWPIRQJ-UHFFFAOYSA-N 487.630 1.631 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Oc2ccccn2)C1 1690155110 GBESRNWFNHUOGM-JKSUJKDBSA-N 450.590 1.307 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OC)c1 1690206127 ICLBJRVVYOJBOB-SIKLNZKXSA-N 459.572 1.660 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1690313086 KYRWGKRXPXAIRS-HKBOAZHASA-N 497.662 1.847 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1690465249 WCUKNBRGTWCXEK-MSOLQXFVSA-N 475.619 1.934 30 10 JDEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCO[C@@H]1C)C1CC1 1690539617 GLIUIQFRQHKIRZ-OPAMFIHVSA-N 461.588 1.890 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C(C)C)CC2)C1 1690699679 HWXRTRCOKLFTCO-QZTJIDSGSA-N 453.609 1.829 30 10 JDEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CC1 1695897289 GYIDJCYAAGOEMC-LJQANCHMSA-N 450.591 1.417 30 10 JDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705520404 SOCIBTIVALLMDL-UHFFFAOYSA-N 454.579 1.116 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2csc(CC)n2)CC1 1705523962 CUAMWDXATBXPDC-MRXNPFEDSA-N 465.649 1.643 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705561851 UZOPMYWCUBWDQN-TZIWHRDSSA-N 487.626 1.549 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCNC(=O)c2cccc(OC)c2)CC1 1705634849 KMVWVEHWTRRUOC-RUZDIDTESA-N 482.585 1.124 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCOc2ccccc2C)CC1 1705651001 GFFFOSWTOVIFOU-UHFFFAOYSA-N 464.570 1.754 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)N(CC)CC)CC1 1705667559 OWWVKIGBTSQSFM-OALUTQOASA-N 464.636 1.952 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(C(F)(F)F)CC1 1705696860 IRFGGBHAVSKFLM-ILXRZTDVSA-N 481.541 1.763 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCC(=O)NC 1705895811 SVZIZRIITZPACP-UHFFFAOYSA-N 453.316 1.721 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1705904959 DSPWLWGUHOQBPM-FQEVSTJZSA-N 454.575 1.481 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C)C1 1705931366 NUEIEMQCCLTWKQ-INIZCTEOSA-N 483.616 1.021 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)cn2)C1 1706933538 HGYXCMDRNOEPBF-YLJYHZDGSA-N 463.539 1.323 30 10 JDEE CCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1709745025 CVTLJTULBWWGQR-UHFFFAOYSA-N 497.629 1.846 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CC1 1712442744 HTVSMNMWRANLET-GOSISDBHSA-N 472.571 1.331 30 10 JDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2ccco2)CC1=O 1712485512 AYNCRBIFEFCZBM-UHFFFAOYSA-N 463.498 1.135 30 10 JDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1722315873 VHIJBAXXGXGTJJ-RTBURBONSA-N 462.620 1.864 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722367991 OADLPFOIIRKXHO-WBVHZDCISA-N 481.500 1.923 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N1CCN(c2ccccc2)CC1 1722398413 YAVLUSLKUBKPOO-NRFANRHFSA-N 459.554 1.041 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1722440087 BKLFQFWOOPVDOK-LJQANCHMSA-N 464.540 1.779 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCCC[C@@H]2CC)CC1 1722446415 VSZLTQSVHBVPKF-NRFANRHFSA-N 452.607 1.909 30 10 JDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722707047 DXXWHSYPQQIBOI-UHFFFAOYSA-N 471.587 1.810 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)[C@@H]1CC 1722724536 ZFXMUOJJTSPDQF-AWEZNQCLSA-N 471.381 1.351 30 10 JDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1722738383 IGQGQYAMYYDSMW-SFTDATJTSA-N 464.680 1.932 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnc2C)CCO1 1722847416 BJUIKSZZQPKNML-JOCHJYFZSA-N 478.557 1.665 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1740618092 BYUVUKIPFNQRML-QTEQDKRBSA-N 480.631 1.906 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1740619223 MTIWCLJXWFSGMQ-ASHKIFAZSA-N 488.433 1.431 30 10 JDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740717016 HDSYNGQSBOUNGG-LJQANCHMSA-N 477.612 1.629 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCCCC1 1740731790 HWHGNAZFMAOPPB-DENIHFKCSA-N 478.663 1.868 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1740779288 ZAXJDNVWOXCMDQ-INIZCTEOSA-N 464.596 1.288 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C2CCCC2)CC1 1740788740 WACISIIUVQCMHG-GOSISDBHSA-N 454.641 1.936 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CCOC2)CC1 1740792823 MVFKMUFZIQUCHV-UXHICEINSA-N 483.635 1.457 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1740876732 LSEUMIIMAOXWDO-SJORKVTESA-N 482.632 1.920 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCCOC2)C1 1740888142 PUYKDRQXXZCFOQ-NQIIRXRSSA-N 469.608 1.211 30 10 JDEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1740930560 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C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1301497097 OFQHQYZXGUJFCD-UHFFFAOYSA-N 462.558 1.677 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)NCC)CC1 1301578003 WTFOTTQUQYKWFG-UHFFFAOYSA-N 460.604 1.960 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1301579411 RGIPVDAQOPGXGC-INIZCTEOSA-N 477.591 1.687 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1301589251 POWRVYUVJDSDKB-OALUTQOASA-N 463.608 1.823 30 10 JDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1313491033 AEAFAADQLQRFDB-UHFFFAOYSA-N 452.563 1.973 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1358881687 KZHCUNOZRLZRSD-OOHXQLJPSA-N 450.499 1.947 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCCn2ccnn2)c1 1358903272 QJSMNYIOCWFILF-UHFFFAOYSA-N 461.530 1.139 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1358929482 AYWGLXLRKCDLHE-FQEVSTJZSA-N 494.568 1.629 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358959125 CECTUHUYGJAISW-OAQYLSRUSA-N 480.594 1.892 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN(C)CC(F)(F)F)CC1 1359028777 DLHKVDAGMHAVRJ-UHFFFAOYSA-N 464.496 1.565 30 10 JDEE C#CCSCCn1c(N2CCN(c3ncccn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359061750 LGCGOCRTKCFBHP-JOCHJYFZSA-N 457.604 1.802 30 10 JDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1359287409 BPFMCRJYWXEBDB-KRWDZBQOSA-N 460.608 1.404 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1359329375 HGDWJKUVEKJBMS-RBBKRZOGSA-N 484.626 1.965 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1359333817 KYNVEIZKWJUWKA-SFHVURJKSA-N 476.603 1.968 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1359333863 MPFCBOCAAHMUKQ-RBBKRZOGSA-N 473.643 1.935 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2COC)cc1 1457031892 STRHIITWPTZVOS-QGZVFWFLSA-N 453.561 1.859 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCc3ncc(Br)n3C2)ccc1F 1457112248 FAIQERPDYLWIAK-LBPRGKRZSA-N 457.325 1.994 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H](O)C1 1503476026 CNKVGYVFOFUUQG-ACRUOGEOSA-N 488.614 1.670 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@H]2CCCCO2)c1 1507549064 YGNWJXMEEBDXJN-YLJYHZDGSA-N 488.614 1.904 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1coc(-c2ccc(C)cc2)n1 1507617291 SCPPCXNKQYCNIA-FQEVSTJZSA-N 484.582 1.887 30 10 JDEE C#CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507626342 FICLGGZGHATASW-QGZVFWFLSA-N 475.640 1.990 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507626790 OQXWFFDAFKRQCE-JTUHZDRVSA-N 490.582 1.129 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@]1(O)CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1507628532 XBLGANVMLWBKPS-VAXXYWNWSA-N 488.610 1.463 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCOCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507631327 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C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1508092395 BMAVLTWBEHSQGZ-WIYYLYMNSA-N 472.565 1.845 30 10 JDEE Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1510711664 HRSZKSLTAZLWPO-WZONZLPQSA-N 489.598 1.567 30 10 JDEE C[C@@H]1CCCN(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)C1 1512218692 BKPBDIUBFKSCJU-IEBWSBKVSA-N 465.624 1.083 30 10 JDEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1512543845 BPBXYMOKZYMUOE-FUHWJXTLSA-N 460.560 1.235 30 10 JDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1516850426 GVDRGTMNEDBGJG-AZUAARDMSA-N 474.587 1.673 30 10 JDEE C#C[C@H](NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C)[C@H]1CCCO1 1523394752 ARZAKUMWOPNEIW-GHTZIAJQSA-N 458.584 1.978 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCc2ccccc2C1 1539012096 FDWIDXACCJULML-CNNODRBYSA-N 486.642 1.516 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1539212666 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CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1552379199 DRLDMVMLQNBFJV-UHFFFAOYSA-N 489.602 1.671 30 10 JDEE CC(=O)c1cccc(C#N)c1OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1559457421 ONVVPXGRHLTMOI-UHFFFAOYSA-N 457.508 1.477 30 10 JDEE C#C[C@@H](CC)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1568621109 DVIGRAYXVGIUJM-HZMBPMFUSA-N 453.870 1.799 30 10 JDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1587857475 ZEKKPIUEVAYDMR-GOSISDBHSA-N 461.592 1.138 30 10 JDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCOC1 1588245904 UXIIZCOOFDVCIT-SANMLTNESA-N 462.598 1.257 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)CN2CCCC2)CC1 1588733768 ZSQLUBFGYMOKKH-UHFFFAOYSA-N 450.591 1.803 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[C@H]2CCOC2)CC1 1588835556 BGQMMROBBSRSPS-PMACEKPBSA-N 474.606 1.768 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C)N2CCN(CC)CC2)CC1 1588848658 JZVPFQDNHJSDRK-QFIPXVFZSA-N 465.646 1.659 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1588961477 AACGOBURUQCRSV-UHFFFAOYSA-N 494.596 1.413 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1595303807 ZVANMYYCJLWYNC-YLJYHZDGSA-N 477.587 1.711 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2ccsc2)C1 1595723037 QEQISNOIMOZNJA-XAUMDUMWSA-N 452.602 1.931 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1595823331 NGMVLMYORQBZGO-HXUWFJFHSA-N 484.582 1.451 30 10 JDEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)[C@@H]1C 1612860134 CPRYXKZKXZTESI-DLBZAZTESA-N 459.572 1.903 30 10 JDEE CN(C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)C1CCCCC1 1617555690 GTWHYTGJZQDPKW-UHFFFAOYSA-N 486.598 1.755 30 10 JDEE C=CCN(C(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2)[C@H]1CCS(=O)(=O)C1 1630846828 DRCDKUBFWMULMO-IBGZPJMESA-N 454.614 1.826 30 10 JDEE C=CC[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O)C(=O)OCC 1638325719 CCTYKWAROLYXMG-IFXJQAMLSA-N 452.305 1.840 30 10 JDEE Cc1cnc2c(S(=O)(=O)N3CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC3)cccc2c1 1660725160 BTIDVELXNURJSZ-MRXNPFEDSA-N 451.574 1.186 30 10 JDEE C=CCC1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CC1 1666432639 XIINRMCSXFBNDV-MRXNPFEDSA-N 457.574 1.087 30 10 JDEE Cc1nn(C)c(N2CCN(C(=O)NC3CCN(C(=O)c4ccccc4F)CC3)CC2)c1C#N 1676125782 IDLPMBGPYTUQAH-UHFFFAOYSA-N 453.522 1.876 30 10 JDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCCN(CCN4CCOCC4)C3)C2=O)cc1 1686083604 CDSIQSALODTJIV-IRLDBZIGSA-N 454.575 1.149 30 10 JDEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1689936872 HJMZGITXMUOWGC-UHFFFAOYSA-N 480.613 1.868 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 1689980160 MXQCYJWOJUPDKI-ARFHVFGLSA-N 493.602 1.341 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1689994026 PPBQYRQNIAMCAV-YKSBVNFPSA-N 488.610 1.504 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCn2cc(Br)cn2)CC1 1690141911 DYMDLVFPWPFXPE-UHFFFAOYSA-N 483.374 1.965 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1690228737 DOAIRIGIJYFWIS-ZACQAIPSSA-N 488.452 1.636 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1690672750 BTLCOAQLZKWUJT-UHFFFAOYSA-N 451.491 1.512 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690683328 HWJJSCIQDTUVOB-LJQANCHMSA-N 461.588 1.867 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCOC[C@@H]2C)C1 1690711982 LMSZQZVRUSDVHI-ROUUACIJSA-N 460.604 1.772 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1690729219 JHNSKLGGTBFQKX-UHFFFAOYSA-N 490.634 1.078 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@]2(CCOC2)C1 1690731293 HHFGPSKNOIFZCW-HMFYCAOWSA-N 468.620 1.793 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOc2ccccc21 1691003177 DHBSTRPXKPQMKW-MBOZVWFJSA-N 474.587 1.773 30 10 JDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1696492872 HKOBPHKLSBGEHM-KRWDZBQOSA-N 492.627 1.160 30 10 JDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1697697719 BOKLJNQUYUISHB-TZIWHRDSSA-N 488.614 1.728 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc(COc3ccccc3F)n2CCN2CCCS2(=O)=O)C1 1698486063 GIVBRLNXOUUQCN-IBGZPJMESA-N 452.487 1.474 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCC2=O)cc1 1705477439 OEFMOEMDJNFVLF-IRXDYDNUSA-N 458.588 1.517 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)nc(N2CCCC2)c1 1705494935 IMARPBYVGVCLQE-UYAOXDASSA-N 487.630 1.421 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1705562467 CVBOBFFPLCBSBN-AZUAARDMSA-N 487.607 1.268 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC(F)(F)CO1 1705623534 VSHPUQCUWUWNRR-INIZCTEOSA-N 454.499 1.859 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1705661487 COPHDVCGLADILY-LAUBAEHRSA-N 485.676 1.619 30 10 JDEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC)C1CC1 1705854245 PLMJEIZUTIZYBV-MRXNPFEDSA-N 470.596 1.291 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)cc(OC)c1 1705875815 HBCBMHQBNANCEX-IBGZPJMESA-N 465.551 1.985 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705896270 HJXCDPHCBCOYDW-NSHDSACASA-N 474.406 1.695 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705908158 JYGNEMVKJDSQSL-RHSMWYFYSA-N 479.990 1.886 30 10 JDEE C=CCNC(=O)Cn1c(N(C)C[C@H]2COc3ccccc3O2)nnc1[C@@]1(OC(C)C)CCOC1 1705908716 UPHMOHDVWKLYMM-MHECFPHRSA-N 471.558 1.897 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705931236 JTLDCWIRNZSUBJ-INIZCTEOSA-N 464.569 1.915 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(CC)C(=O)C1 1705931632 WGQOSLRISKQYSQ-UHFFFAOYSA-N 485.408 1.695 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1705933295 BBNVDDIAXCEXHE-MGPUTAFESA-N 467.979 1.979 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705934896 ADIKKQMRLWNSPN-OAQYLSRUSA-N 470.599 1.880 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1710899276 DNXBONGDQXOOED-INIZCTEOSA-N 499.576 1.400 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1722361312 YWBBZZALBJBTTJ-GOSISDBHSA-N 459.572 1.780 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccnc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722363699 HDXKEMHFWWGTGF-UYAOXDASSA-N 472.615 1.698 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722370666 DNAVCAXGVQXJEP-GOSISDBHSA-N 487.582 1.093 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1722372135 PYXNRTKCYXCPJN-SFHVURJKSA-N 473.599 1.299 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CCS(=O)(=O)CC1 1722467830 GGWPUPVRPDPLMW-GOSISDBHSA-N 482.404 1.968 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCCC2)CC1 1722493093 WLSADTMLLPHJNB-HOJAQTOUSA-N 494.662 1.708 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(NC(C)=O)cc2)CC1 1722565671 BBWNCCCAWVLTTB-FQEVSTJZSA-N 474.587 1.774 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCN(C(C)=O)CC2)CC1 1722566210 MMNLLIVUCFGQKH-IBGZPJMESA-N 466.608 1.026 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCOCC1 1722664281 VNVJNXXRRBYEKW-KRWDZBQOSA-N 479.628 1.683 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1722695920 VDPNRLJSIOMHQC-NRFANRHFSA-N 494.987 1.644 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCCOC2)C1 1722698343 DQJNGQNOGVHLHD-UUOWRZLLSA-N 490.605 1.896 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1SC 1722699767 YBJFTTCVBVSCDU-QGZVFWFLSA-N 494.643 1.272 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1722729330 JFQRRGLWFYINDF-UHFFFAOYSA-N 495.609 1.290 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1740621983 RJYJFBSDFGSCGU-KRWDZBQOSA-N 473.555 1.423 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@@H](C(F)F)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740626978 DIQULTTUBNMQGR-FGTMMUONSA-N 487.573 1.112 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1740627800 SOCSRYPYEXLHJB-LEWJYISDSA-N 485.610 1.549 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@@H]1COCCO1 1740632913 RCTVSILGGLMDAM-GOSISDBHSA-N 456.572 1.425 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(C)c1C 1740677753 PARVDNJNOZHZAS-HNNXBMFYSA-N 459.551 1.757 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCS(=O)(=O)CC2CC2)CC1 1740696737 DQDJBXYEIDWKBD-UHFFFAOYSA-N 457.600 1.458 30 10 JDEE C=C(Br)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)[C@H]1CC 1740737969 BJRYJUZOFHZHER-MRXNPFEDSA-N 497.419 1.819 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2)C1 1740821067 BVUJMJAAFJZNSA-ZWKOTPCHSA-N 467.979 1.941 30 10 JDEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1740885105 XMURVVONWMBNFO-QGZVFWFLSA-N 465.558 1.935 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cccs2)CC1 1740991927 IOKHAYMXBHPJER-KRWDZBQOSA-N 451.618 1.767 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740993699 GRYYDFSRYUKOLS-SFHVURJKSA-N 482.628 1.698 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCC2(CC1)CNC(=O)C2 1740994357 QDGFRVUDFDKQDS-UHFFFAOYSA-N 477.562 1.704 30 10 JDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1740997553 WSAMLFWSRQHEQG-WMZOPIPTSA-N 461.613 1.983 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(F)c(F)c1 1741801515 BJCSSJZHJCRQOS-KBXCAEBGSA-N 484.529 1.707 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCOc2ccccc21 1748790823 MYZCCOCMVBHBKB-PXNSSMCTSA-N 459.572 1.637 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCNS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1748809285 RHKCZKBUIFHEFE-IBGZPJMESA-N 479.628 1.074 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748965215 QGUMUIZDTJKHFL-PXNSSMCTSA-N 475.571 1.158 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCO[C@H]2C)CC1 1749000430 WEMFLIWXFIVVPZ-AXHZCLLHSA-N 474.606 1.645 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2cnn(CCOC)c2)CC1 1749016569 GHANFVLHPRFLKV-UHFFFAOYSA-N 479.560 1.865 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)NCC)CC1 1749135495 FKLQBQCYADKUIJ-FPOVZHCZSA-N 456.595 1.972 30 10 JDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1749199209 IWMOQGQQINPEAB-UHFFFAOYSA-N 491.599 1.486 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2ccccc2OC)C1 1749670365 SCRMCGFYOGIOQW-IRXDYDNUSA-N 459.572 1.485 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(Cn2cncn2)CC1 1749680302 HWSRPKXPWDDLQU-UHFFFAOYSA-N 454.510 1.807 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC(F)(F)F)CC1 1749744685 ODMAVNHCYOUWCR-CQSZACIVSA-N 470.587 1.882 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760180447 FQQZXBRCBZSVNX-MOXWOTFGSA-N 466.604 1.230 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760181359 SVBBFWIYAJUYGR-LGVFNWMJSA-N 493.674 1.821 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1760183157 ONBRHQALHWOEJI-GOSISDBHSA-N 473.603 1.164 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1760183614 CEDGXTBSRFTOIH-IBGZPJMESA-N 454.556 1.360 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760191171 BYIPMJMOLHFHNS-UYAOXDASSA-N 459.620 1.249 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760191906 BCELNVSQGWGFAR-JTJHWIPRSA-N 491.614 1.525 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1760251887 KSLALLDXMYCCLM-JOCHJYFZSA-N 488.596 1.992 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1760274783 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476.603 1.118 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286781430 YXDRLVGEVCRKEY-XLIONFOSSA-N 486.548 1.687 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCOC2(CCOCC2)C1 1286791024 RVPIMZJVCCPJRM-UHFFFAOYSA-N 455.559 1.760 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(=O)N(C)CC)C1 1286808238 BABPIIUUEXBWGM-LJQANCHMSA-N 454.579 1.712 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1286825722 VWMRUODDTZBUFD-RTBURBONSA-N 464.592 1.449 30 10 JDEE Cc1nn(C)c(C)c1CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1290562487 BWRCBXDREBRPSF-UHFFFAOYSA-N 497.554 1.871 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1300483403 LKAOJHDKMUOFIZ-KRWDZBQOSA-N 466.585 1.012 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OC)nc1OC)[C@H]1CCS(=O)(=O)C1 1300487086 FWRVMWYIWXWQHF-INIZCTEOSA-N 456.528 1.360 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1300491393 HMYDKRRPDHVLIK-AVRDEDQJSA-N 470.530 1.409 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300495732 JWZHCTJCAXTGAF-UWHLTILDSA-N 479.647 1.298 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccc(C)c(F)c1 1300557531 VGDMDVMLHTYKGI-KRWDZBQOSA-N 474.562 1.229 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCOCC1 1300579903 ZSLHHOMLQLYHLB-UHFFFAOYSA-N 473.581 1.860 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1300665827 OREAHVOZJJJFBB-MSOLQXFVSA-N 459.513 1.911 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCOC[C@@H]2C)CC1 1300719018 LLXOZYKMAJACEK-IBGZPJMESA-N 496.612 1.649 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1300728662 DDOTXMNLGMRGGM-XDHUDOTRSA-N 453.591 1.657 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1300745161 HPYBAEQGIXDTDT-UHFFFAOYSA-N 454.600 1.721 30 10 JDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300843756 FKSNQXPDJRHRHW-ZDUSSCGKSA-N 467.324 1.256 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(Cn2ccnn2)CC1 1301484435 GSWGYXSGIRYCJO-UHFFFAOYSA-N 484.586 1.159 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1301493182 VTTQPVFDWCEGCT-XMMPIXPASA-N 468.558 1.760 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1301497406 VRDMXOVZRGEDRQ-UHFFFAOYSA-N 486.939 1.736 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1301515349 SPHFYNVQZDMDQV-UHFFFAOYSA-N 488.552 1.761 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1301589199 PCNGIWPWXFPEFM-LAUBAEHRSA-N 464.592 1.258 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2CCS(=O)(=O)N2CCSCC2)C1 1303939393 DQOXGNAJCGWYEP-OAQYLSRUSA-N 475.644 1.773 30 10 JDEE CCn1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)cn1 1313846000 FAMYKXCQYZEOKG-GOSISDBHSA-N 462.580 1.006 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1c(Cl)c(C(F)(F)F)nn1C)[C@H]1CCS(=O)(=O)C1 1358968085 ZBZGWMCYSLJAEE-LBPRGKRZSA-N 494.927 1.895 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1Cc1ccccc1 1358969816 XLIXEGWNIXWIHT-TZIWHRDSSA-N 454.600 1.626 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2Cc2nnn(C)n2)CC1 1359042967 AWSZIHPUDALWFG-UHFFFAOYSA-N 484.362 1.245 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1359189949 ZCDRQZXMSPEIPS-RTBURBONSA-N 493.634 1.315 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)CC1 1436028090 CBTLJNFCEVGSOR-UHFFFAOYSA-N 459.344 1.508 30 10 JDEE CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1F 1463072246 BBRARKDRXUCUDO-INIZCTEOSA-N 452.533 1.596 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)s1 1466291488 ZWERPDAQJNMMLU-UHFFFAOYSA-N 459.597 1.976 30 10 JDEE CCN(CC)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1501929110 FYDXXDHYPWAGSO-IBGZPJMESA-N 459.620 1.876 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-n2ccnc2)c(F)c1 1507537495 IKPVNVAQXNUWMY-OXQOHEQNSA-N 487.561 1.442 30 10 JDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)COC)CC1 1507556487 AFKZRJYQXMUDNC-UHFFFAOYSA-N 459.572 1.447 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1507626178 DHROUTLASFRHQM-GOSISDBHSA-N 459.572 1.497 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507635306 RRPCQPQUPHUNIC-AUSIDOKSSA-N 457.600 1.832 30 10 JDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1507727260 PDNPYNPAUQTQLP-FQEVSTJZSA-N 457.600 1.746 30 10 JDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1507728152 OXLURYRPTMFFOV-OAQYLSRUSA-N 456.616 1.100 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)NCCOC)CC1 1507797108 KLVKRDVYADDQIM-UGKGYDQZSA-N 462.639 1.733 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(N)=O)C1 1507810732 XVBPZHJRYBRRPO-GJYPPUQNSA-N 458.588 1.953 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(N(C)C)CCOCC2)CC1 1507901761 FRLPLEROQFLKAV-IBGZPJMESA-N 482.651 1.124 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(O)CCN(C)C2)C1 1508107825 CFAVQLMTZQCISI-RDPSFJRHSA-N 454.575 1.995 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1508144720 SJOSSIBYVKHGTD-ZWKOTPCHSA-N 459.572 1.193 30 10 JDEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1539116763 RKTRFWHFBUJWLH-IBGZPJMESA-N 463.542 1.601 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1539416938 VREHIHGRIDRUNR-VAMGGRTRSA-N 451.637 1.634 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@]2(O)CCSC2)n1 1539424197 NTLIRGAGNUDJRK-XMSQKQJNSA-N 460.604 1.523 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC(=O)NCc2ccccc2)CC1 1539431572 VQLVRDHBKKBTNU-SANMLTNESA-N 480.613 1.780 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](C)N(CC)CC)CC1 1539474224 MABXREWWIKNKBS-IBGZPJMESA-N 490.616 1.617 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nccs2)C1 1539498224 RCJSUEXFOPREOP-UONOGXRCSA-N 456.619 1.289 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1539728618 JNWZYIPOMZBRDS-GOSISDBHSA-N 474.587 1.497 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1540035281 AGZSYPGNTHQDAR-DLBZAZTESA-N 469.608 1.876 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1540862382 AJNOBJFXYKKLRM-OPAMFIHVSA-N 477.562 1.874 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)NCCC)C1 1540892799 RKCJWCBRDBUEHH-QZTJIDSGSA-N 478.594 1.894 30 10 JDEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H](O)C(N)=O 1556459842 FFUAIIJSISTQMP-UXHICEINSA-N 457.914 1.999 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(CC(F)(F)F)CC1 1587562434 PDPSQTLLMGFZEI-KGLIPLIRSA-N 450.531 1.621 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(O)CCO[C@H]2C)c1 1587696973 FOIYKPJZCNKZTO-DFBJGRDBSA-N 477.569 1.736 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1588035878 YVZZTWXNPLULNX-RDPSFJRHSA-N 488.610 1.944 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CC(C)(C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588045073 GQWUYNHXARNBED-GOSISDBHSA-N 475.590 1.822 30 10 JDEE C#CCN(c1nnc(COCC)n1CCN1c2ccccc2C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588075081 XDTOPXWKFBEKME-AZUAARDMSA-N 457.600 1.893 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(N(C)C)CCC2)CC1 1588899497 QEYLOKXZUADHEI-UHFFFAOYSA-N 498.653 1.799 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)N2CCCCC2)CC1 1588929434 AFTXPQYIMGESMY-HXUWFJFHSA-N 456.591 1.541 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCC[C@@H]2C)CC1 1588929960 JZCHZIVHCLSDLI-PZJWPPBQSA-N 490.674 1.411 30 10 JDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1589042436 AWHXKYGPQDLABR-IBGZPJMESA-N 453.616 1.839 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)C(C)C)CC1 1594498920 YSIWQBYRACWADU-GOSISDBHSA-N 482.651 1.518 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CN(C(=O)OC(C)(C)C)C1 1595178466 KIAIHURXFCKABL-OAHLLOKOSA-N 454.597 1.934 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1595501104 MKVIVWLRFFJISK-UHFFFAOYSA-N 485.976 1.172 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2cc(OC)c(OC)cc2C1 1595569168 BFSHEMXWZOHVAI-UHFFFAOYSA-N 454.531 1.283 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCn2nc(C)cc2C)C1 1595730278 VHPXOPPUYNUTRX-WOJBJXKFSA-N 493.634 1.296 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1595785151 ROORDMFKUQSXFE-GOSISDBHSA-N 484.586 1.339 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCSC1 1611706863 HALMUZHEQKVWPJ-RDJZCZTQSA-N 476.632 1.235 30 10 JDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(C(=O)N(C)C)c2)CCOC1 1616260748 FMTDSTRDIBHTJJ-WMZHIEFXSA-N 454.531 1.409 30 10 JDEE C=CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1)C(=O)OCC 1627752288 OHAIDUVIDLIUKU-LJQANCHMSA-N 451.545 1.167 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)c1 1637931049 GEUUSCSIPHYKOW-UHFFFAOYSA-N 458.515 1.134 30 10 JDEE C=C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1 1657591426 RXJYLEJNTZYGDZ-QGZVFWFLSA-N 452.577 1.756 30 10 JDEE C#CC[C@@H](COC)NS(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1670709682 KPDSHBXNPIEMLH-NSHDSACASA-N 451.282 1.703 30 10 JDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(=O)NCC)CC1 1689892210 AOZWKBRXDBEHKK-UHFFFAOYSA-N 479.633 1.514 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1689996193 DWBIPBPAMUKSGT-KSFYIVLOSA-N 475.546 1.101 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cc(C)oc1C 1690104501 YOSGCJONYIDJRT-DYESRHJHSA-N 450.561 1.384 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(OC)c(OC)c2)CC1 1690124626 PMXIDNAILCHWEO-LJQANCHMSA-N 473.599 1.195 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CC1 1690140461 ZQQXHDQMQUZHID-UHFFFAOYSA-N 475.553 1.031 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1690174660 HPMWBXUPOGPRKI-SJORKVTESA-N 467.661 1.678 30 10 JDEE C#CCSCCn1c(N2CCN(C[C@@H]3CCCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690185677 CTYPHZIEZCPASW-REWPJTCUSA-N 463.648 1.986 30 10 JDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690470564 FNGIYOMKIVSCML-QFIPXVFZSA-N 452.519 1.706 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1690485139 MFZUBRCIANIXJR-UYAOXDASSA-N 466.652 1.888 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1690676712 BCJNJZWMOBWFRJ-UUOWRZLLSA-N 471.558 1.942 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)CCO1 1690965473 DHJMWWHBXHVSMV-OAQYLSRUSA-N 464.530 1.046 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCSCC2)CCCC1 1705478292 ZAIOVUHAYNIHCK-IAGOWNOFSA-N 454.666 1.708 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(CS(C)(=O)=O)CC1 1705481220 BNIABXZXFQIBIJ-MRXNPFEDSA-N 479.628 1.478 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705559161 SRGITBWVBGACHY-NHCUHLMSSA-N 490.674 1.653 30 10 JDEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1705562377 BAOIRTQYDAJXPX-GOSISDBHSA-N 480.594 1.892 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)CN1CCOCC1 1705599073 UZPFGUFLKQPEDA-JOCHJYFZSA-N 476.629 1.883 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1705640233 KFFLTAYKPRFUFK-FCQUAONHSA-N 479.972 1.804 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2Cc2nnn(C)n2)CC1 1705646128 RXWNWHHWCQNQTC-UHFFFAOYSA-N 491.600 1.908 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1705654119 YALNSEVGFWLLDK-KBPBESRZSA-N 468.571 1.328 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccccc1 1705876006 MPOYYUKLPANQQX-UGKGYDQZSA-N 461.588 1.697 30 10 JDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1705890775 IHECNDZLYLOTGB-AWEZNQCLSA-N 451.499 1.607 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C(=O)NC)C1 1705933249 ZALOKHDIPCJDCR-MRXNPFEDSA-N 498.403 1.260 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1705934663 TURNFSXBJRPWNZ-GOSISDBHSA-N 480.541 1.435 30 10 JDEE CC(C)(C)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1706150438 IEAVXLLUCPZZCI-QHCPKHFHSA-N 472.615 1.677 30 10 JDEE CC1(C)COCCN1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1706934652 DDEOWUVIRSNPIC-UWJYYQICSA-N 450.609 1.421 30 10 JDEE CCc1nn(C)c(CC)c1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1709009256 GPUYHKIXWVDLCD-KRWDZBQOSA-N 483.598 1.984 30 10 JDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)C[C@H](C)O1 1712302767 AICVZABGUXEDKA-REWPJTCUSA-N 497.644 1.995 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1722324797 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C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC)nc1OC)[C@H]1CCS(=O)(=O)C1 1588053054 ANVMQBGSSGPOSV-ZWKOTPCHSA-N 475.571 1.607 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1588053879 IPYDWGSSLCBUJW-WMLDXEAASA-N 465.938 1.697 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588074185 KPWQVXJPGRZVRE-FSGKZVOOSA-N 466.604 1.301 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1588075100 XRKUOKWBJAJDDL-YZVAWVHESA-N 494.639 1.598 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)N(C)C 1588228707 KHSAEQCMQMTDMR-UHFFFAOYSA-N 492.646 1.747 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ncc(C)s1 1588386039 MLBSCXGSVHBVCS-HOCLYGCPSA-N 452.606 1.639 30 10 JDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1589042437 AWHXKYGPQDLABR-LJQANCHMSA-N 453.616 1.839 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1O 1589070509 UIYQRONBZGEQCY-GOSISDBHSA-N 465.601 1.319 30 10 JDEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1594522144 XUUYEFBKJCTLJZ-UHFFFAOYSA-N 470.622 1.915 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(c2cnccn2)CC1 1595477744 YUEZAPFSISAYMS-KRWDZBQOSA-N 466.521 1.976 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1595501437 TXAKEIPNNDYLTL-GOSISDBHSA-N 465.377 1.930 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C(=O)NCC)CCC2)C1 1595722139 JESLZWDJPBCZEU-DLBZAZTESA-N 451.593 1.268 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1595765805 GUUQZSOJDMHTKR-YJBOKZPZSA-N 465.532 1.694 30 10 JDEE COc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)cc1F 1619284106 AGPACLJLVYWQPY-SIKLNZKXSA-N 492.577 1.937 30 10 JDEE C=C(CCC(=O)OC)C(=O)Nc1cccc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)c1 1627341701 IVTBTRDAFIHLMK-UHFFFAOYSA-N 455.533 1.938 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccs2)CC1 1634876527 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C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)Nc2ccc(F)cc2)CC1 1690113823 VYJKOCLAPLDRML-HSZRJFAPSA-N 456.522 1.463 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)CN2CCCCC2)CC1 1690135567 ZITAYWPXYWAJGD-FQEVSTJZSA-N 469.634 1.602 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(=O)NCCC)CC1 1690137834 KAVAWBVMRSGZIA-UHFFFAOYSA-N 468.558 1.454 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)NCC=C)CC1 1690137975 NWYFZUWCTSWHQT-UHFFFAOYSA-N 472.496 1.815 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1690142071 HKEDPPQJVPDPGZ-UHFFFAOYSA-N 495.584 1.600 30 10 JDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690473835 IRKOKMLZRDFNFF-UHFFFAOYSA-N 467.617 1.833 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2CCOCC2)CC1 1690743810 FWUTYERKOXJYSC-IBGZPJMESA-N 469.677 1.648 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOC2=O)cc1 1692662494 HUXBPKIIFZDJHP-WBVHZDCISA-N 458.544 1.923 30 10 JDEE CC(C)[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1692794005 DDUYTEKVGAXZIB-KSFYIVLOSA-N 493.609 1.633 30 10 JDEE CNC(=O)C(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1696904737 FQMOXNGXYVKJQU-UHFFFAOYSA-N 459.558 1.629 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCN2CCCO)c1 1705506082 ZPILFNISQGSOHC-LEWJYISDSA-N 479.585 1.132 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(OCC(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1705560220 IOCQRBJJXCJGGU-UYAOXDASSA-N 487.626 1.934 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1705561188 QUNCAVOEZJTHMQ-CVEARBPZSA-N 459.638 1.197 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCSc1ccccc1 1705582802 JZHPIBSOYDYNEZ-HXUWFJFHSA-N 473.624 1.866 30 10 JDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCn1cc([C@H]2CCOC2)cn1 1705585593 VFJFZIAPYAYGJQ-SFHVURJKSA-N 463.567 1.743 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCNC(=O)c2cc[nH]n2)CC1 1705642059 FGHJQJYHFKQFEY-UHFFFAOYSA-N 462.558 1.382 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1705643536 JQVGWWCXRLZPPU-QZTJIDSGSA-N 456.591 1.684 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](OC)C(C)(C)C1 1705699447 HBVNTKYZQUEHIL-MKXGPGLRSA-N 483.635 1.453 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1705731306 UEAJQMWOYMKSRA-ZDUSSCGKSA-N 477.513 1.717 30 10 JDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1705832752 HBJQISYIRCVTJD-WFXMLNOXSA-N 454.593 1.610 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCCC1(C)C 1705876317 UWQSUMKVDCUBDW-DYESRHJHSA-N 453.609 1.731 30 10 JDEE C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CCN(C(=O)Cn3cnnn3)CC2)cc1 1705909932 MHFUTOHPEFQPHU-UHFFFAOYSA-N 451.535 1.350 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705935569 VTUVSLZKLSZHCW-KRWDZBQOSA-N 475.681 1.575 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1705938559 CFAYKNBHKHALEH-LJQANCHMSA-N 465.620 1.959 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1722365470 DRGWPPDUGGABKF-MOPGFXCFSA-N 492.623 1.172 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1noc(CC)n1 1722382979 FBKYXGOMVWWAIA-KRWDZBQOSA-N 469.546 1.847 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN1S(C)(=O)=O 1722417668 OWJPSDVEJVOLBZ-LJQANCHMSA-N 476.578 1.619 30 10 JDEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2)n1CC1(O)CCS(=O)(=O)CC1 1722427027 KFRMQTHSVUPOKD-UHFFFAOYSA-N 482.990 1.536 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(CC)(CC)SC)CC1 1722436586 BZCRUDPOPDIACP-GOSISDBHSA-N 484.692 1.288 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCS(=O)(=O)CC)CC1 1722449454 SJLTZDLQZUQZCL-UHFFFAOYSA-N 461.563 1.409 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC(=O)NCCC)CC1 1722450386 GKWSFINBZFVTSC-UHFFFAOYSA-N 456.522 1.488 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C)CC1 1722581556 DUBHOAOQLHCJNT-QGZVFWFLSA-N 462.624 1.916 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1722617614 LLTJMMWRIGCKJL-DENIHFKCSA-N 479.578 1.814 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1722685783 MROLPYRYCBFUDI-JXFKEZNVSA-N 496.584 1.958 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cc(C)on1 1722752225 ZDMRSCONEZOMCI-UHFFFAOYSA-N 479.584 1.882 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCCCO4)n3CCNC(=O)C(C)C)CC2)c1C#N 1725866807 GJMNHADEVBUMCB-IBGZPJMESA-N 469.594 1.532 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)C1 1728680448 ALEBAGXXKXTPKP-SFHVURJKSA-N 455.548 1.017 30 10 JDEE C#CCN(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1740603743 DSLQAKYBRNEEAF-JOCHJYFZSA-N 462.572 1.752 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(CN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1740628701 ZPHNVITUUQXKDP-SFTDATJTSA-N 457.600 1.519 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1740690174 OKNRIZRNASEKSB-FQEVSTJZSA-N 466.590 1.037 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2ccccc2F)CC1 1740700923 NGRFFOGXTUMPSH-UHFFFAOYSA-N 495.559 1.049 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCSC2)CC1 1740703011 CWTOXFQTVFJMOJ-XZOQPEGZSA-N 477.631 1.153 30 10 JDEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740802644 NFFFGYIZBHIKID-DZGCQCFKSA-N 465.341 1.971 30 10 JDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1740948956 WAZMYONKLPFVDR-IBGZPJMESA-N 465.551 1.813 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1OC 1740991984 KHQXSIIJVZOCQG-KRWDZBQOSA-N 468.601 1.426 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1740993505 DCVMGDRQGMLARM-ROUUACIJSA-N 462.528 1.880 30 10 JDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCS1(=O)=O 1746335517 FHKCTAMLFPPOFT-SFHVURJKSA-N 465.601 1.655 30 10 JDEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1746531147 ABJMFGDZNLUPCE-UHFFFAOYSA-N 469.546 1.122 30 10 JDEE COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)c(OC)n1 1748786610 DHYBIPMFTMFKTL-XOBRGWDASA-N 463.564 1.479 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1748986977 OBWHEMFABWBPLX-QFIPXVFZSA-N 454.623 1.571 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCOc2ncccc2F)CC1 1749008790 GAYIETNJRLMXKE-UHFFFAOYSA-N 452.494 1.258 30 10 JDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749604372 NCJVTAHNBUVKIN-MRXNPFEDSA-N 452.968 1.566 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1760180786 LCOBBSWGTVTGDC-HNNXBMFYSA-N 483.392 1.189 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1760183949 SCKMFOBNUPFSQJ-NRFANRHFSA-N 476.562 1.673 30 10 JDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCNS(=O)(=O)c1ccc(C)s1 1760223710 JCTQIGFYMVRQPZ-UHFFFAOYSA-N 485.639 1.951 30 10 JDEE 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C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358964985 LMBGEILKOROCMZ-LJQANCHMSA-N 478.018 1.921 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C)n(C)c2=O)CC1 1359046556 WMFLCMCSIGOPQX-UHFFFAOYSA-N 479.610 1.655 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(=O)NCC)CC1 1359118405 HUCHKMLUNCHHGM-UHFFFAOYSA-N 475.619 1.030 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)COC)CC1 1359294834 GPWVNGBGAPNLOZ-UHFFFAOYSA-N 454.575 1.840 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359304448 YHZMFKFNBSPVEN-JOCHJYFZSA-N 495.584 1.543 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)c2ccccc2)C1 1359321127 AJLGSEBSTGGDNY-ZRCGQRJVSA-N 491.614 1.300 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@]23CCC[C@]2(COC3)C1 1359326732 ISTPBNAWFBJEJU-SZPZYZBQSA-N 465.620 1.804 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1359333892 NGKGYJJPEZZFAN-DLBZAZTESA-N 464.617 1.482 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCOC1 1360707577 GTZCEAVUFMBXGY-RXVVDRJESA-N 487.630 1.509 30 10 JDEE C#CC[C@@]1(C(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)CCCN1C(=O)OC(C)(C)C 1435607882 BBIKMXZUOZFBKB-HXOBKFHXSA-N 453.547 1.954 30 10 JDEE C#CCC1(O)CCN(CC(=O)Nc2ccc(OCC)c(S(=O)(=O)N(CC)CC)c2)CC1 1473746253 DWXNMWQCNXSINJ-UHFFFAOYSA-N 451.589 1.905 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1478552605 GEGFPUNRILYGGJ-KXBFYZLASA-N 452.533 1.811 30 10 JDEE COCCN(CCC#N)c1nnc(-c2ccc3ccccc3n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1504885011 IAOJZTLJOSESIX-QFIPXVFZSA-N 470.555 1.409 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1507634811 NLBPEUDYVFOXQC-FPOVZHCZSA-N 456.616 1.623 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1507639081 VJXCPYFBRCLJJF-ZCNNSNEGSA-N 465.620 1.115 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC2CCOCC2)CC1 1507734136 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1508125549 PJCXBGMDWRIVPV-NJYVYQBISA-N 496.678 1.657 30 10 JDEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1512543850 BPBXYMOKZYMUOE-WMZOPIPTSA-N 460.560 1.235 30 10 JDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1515098777 FLUFKWDEENPMES-SFHVURJKSA-N 473.603 1.451 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 1534591980 ONRCIWNMQDEOKW-HOTGVXAUSA-N 458.602 1.692 30 10 JDEE C=C(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1)C(=O)OC 1535347273 QFBGVHVSLQHXOQ-KRWDZBQOSA-N 453.517 1.928 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(F)(F)CNC(=O)OC(C)(C)C 1538971110 GLQXLMAYLXLXLH-OLZOCXBDSA-N 464.539 1.506 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCS2)c1 1539038331 NVLMZAXUNYGQQA-QAPCUYQASA-N 476.628 1.840 30 10 JDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1539084826 CTEMYPCAJMRKLO-ACRUOGEOSA-N 495.646 1.436 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Oc2ncccc2F)CC1 1539124292 DJCBXSVCYULEFV-IBGZPJMESA-N 492.577 1.606 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1539220525 KIBOXKFACCYRJT-ROUUACIJSA-N 457.556 1.303 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1539224203 CZFDNNSWUYLOAZ-FQEVSTJZSA-N 466.567 1.733 30 10 JDEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1CCN1CCCS1(=O)=O 1539421719 WEYFRLAMCNABKF-UHFFFAOYSA-N 456.572 1.403 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(N3CCOCC3)nc2)CC1 1539430633 MAOKDPFTMTVION-FQEVSTJZSA-N 469.590 1.037 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1539461738 JXPIEJBAQBVEPS-QFIPXVFZSA-N 482.629 1.978 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(S(=O)(=O)CC)CC1 1539616333 PRPSGDIRWUEUJB-JZXOWHBKSA-N 489.664 1.273 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccccc1)CC1CCOCC1 1540871355 JZARPVNXKCIEDS-OAQYLSRUSA-N 487.626 1.916 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1540872880 DJZYVULMOPOIBU-UHFFFAOYSA-N 478.601 1.902 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1540892163 GURCTFROWNIDIL-VAMGGRTRSA-N 467.636 1.318 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(C)=O)CC1 1540908909 RDQMYJYNFBUGCW-QZTJIDSGSA-N 453.609 1.466 30 10 JDEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1552889245 BVEOTAIWZSRMFO-IBGZPJMESA-N 498.613 1.423 30 10 JDEE C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1557021115 WYWJODDGWITPJF-ZCNNSNEGSA-N 459.591 1.478 30 10 JDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1NC(=O)CC1(C)C 1588398938 KTJKXIOVRHLWLV-IAGOWNOFSA-N 460.579 1.961 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOC2CCCCCC2)CC1 1588741824 IJNQLHOJJQNWMI-GOSISDBHSA-N 452.625 1.383 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCS(=O)(=O)NC(C)C)CC1 1588743271 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C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)cc1 1595613995 LWSBKZINNKMNSU-RBUKOAKNSA-N 459.572 1.856 30 10 JDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1612598166 AAYYESYRHKOCFC-UHFFFAOYSA-N 451.556 1.773 30 10 JDEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1615741617 DWTROCDCSMTWDC-QGZVFWFLSA-N 469.575 1.242 30 10 JDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1620176484 DWDJROPTFVEDGU-MRXNPFEDSA-N 472.493 1.914 30 10 JDEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CCN(C)CC1 1620227052 BRMLVUGGUAOPJI-UHFFFAOYSA-N 469.615 1.882 30 10 JDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1)C(=O)OCC 1622450596 VKMCBNMCIHPFLF-UGSOOPFHSA-N 459.908 1.102 30 10 JDEE C=CCC1(O)CCN(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 1648366696 OSIKWZMDEQWHPJ-UHFFFAOYSA-N 453.561 1.058 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N1CCOCC1 1689826952 XJTHRDVAESRWOL-YESZJQIVSA-N 466.633 1.481 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1689981951 DVNFOGLULPGBTL-UKRRQHHQSA-N 470.393 1.708 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCCCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689988100 JDLWACLIGWUFRX-WOJBJXKFSA-N 471.631 1.874 30 10 JDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCCN(S(C)(=O)=O)CC1 1690310297 ZMBTUPWCIYCJRQ-UHFFFAOYSA-N 466.564 1.070 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)OC)C1 1690432912 OGBYDQJFRDVDGZ-SJORKVTESA-N 469.608 1.603 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1690673375 UQHDVWWBFGSGSH-PZJWPPBQSA-N 468.602 1.727 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1690674727 CMGJWYUUJVCZCN-FQEVSTJZSA-N 497.648 1.011 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1690717824 RTWKZOAUYLGMTN-DZGCQCFKSA-N 488.408 1.877 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690726725 JRZBAKMIXPMNSK-IBGZPJMESA-N 458.588 1.220 30 10 JDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1695496008 BCBLWCCHZZIXAN-KRWDZBQOSA-N 470.541 1.672 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC(=O)NCc2ccco2)c1 1705504036 KZSNGBDPRAQAPS-UHFFFAOYSA-N 489.536 1.480 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cnn(C)c2C)c1 1705504430 WIAMONDTBJJWES-HNNXBMFYSA-N 484.586 1.035 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccc(F)c1)N(C)C 1705552414 YPAIKMORLLYCTQ-RBUKOAKNSA-N 464.567 1.122 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1705566406 NUCFWNNORMFMRJ-SFHVURJKSA-N 472.546 1.696 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(S(C)(=O)=O)CC2)CC1 1705636471 LWONOIFZTRUUCQ-UHFFFAOYSA-N 459.572 1.295 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN(C)C(C)C)CC1 1705644416 QBGDNZJPRGQXQV-UHFFFAOYSA-N 466.590 1.622 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCC2(C)C)CC1 1705644921 GIQBFMJQUGGHOY-WMZOPIPTSA-N 464.636 1.680 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1705651382 VEKRIZZADGYDOT-PGUFJCEWSA-N 496.637 1.293 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C2CC2)N(C)C)CC1 1705781663 FQRACZUQHPJUFZ-RTBURBONSA-N 452.625 1.354 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1705903471 WTHWSMPHXAFBMX-PMACEKPBSA-N 478.663 1.575 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1705907794 XPZQPUNZFZHGHF-IBGZPJMESA-N 460.579 1.257 30 10 JDEE C[C@H]1CCC[C@@H](NC(=O)CN2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)N(C)C)CC2)C1 1708036595 CMANWLNNNJIZHE-SIKLNZKXSA-N 492.628 1.722 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCCC1 1708752174 GYKDCGQNEIQLKP-SFHVURJKSA-N 480.621 1.669 30 10 JDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCNC(=O)c1ccc(C)cc1 1709141766 DSKNJFUSGVOZJB-GOSISDBHSA-N 459.558 1.956 30 10 JDEE COCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CCC1 1712205194 AFKQOJYSFLWZLU-UHFFFAOYSA-N 474.587 1.627 30 10 JDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722333653 NJMRFGWKBCRXMP-LJQANCHMSA-N 457.604 1.879 30 10 JDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)N1CCSCC1 1722355360 UYRRJLUNDJHPSV-GOSISDBHSA-N 463.585 1.239 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722360212 FHMVGQFCCLTOHD-IBGZPJMESA-N 473.599 1.303 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1722361751 OXCHHIJDXUJYOK-TZIWHRDSSA-N 473.647 1.673 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(S(C)(=O)=O)CCCC1 1722384691 XIKLSUZIKTYVOS-UHFFFAOYSA-N 481.626 1.882 30 10 JDEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1CCN1CCN(C(C)=O)CC1 1722386457 YXWAFQKXSUPWSY-UHFFFAOYSA-N 454.962 1.747 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1722440270 BMWSDSOFLRGZML-QGZVFWFLSA-N 489.621 1.543 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1722450030 UQQRREANIYBRJM-NHCUHLMSSA-N 483.661 1.734 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722500450 RNZBMXMLIPYXKA-KBAFEORJSA-N 464.563 1.344 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1noc(CC)n1 1722518225 XGWXHVUIKNTERV-HNNXBMFYSA-N 453.569 1.202 30 10 JDEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1722592298 UCCDMNQJGJSTJM-UHFFFAOYSA-N 481.601 1.374 30 10 JDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722603299 IDFLNVBTIRNHRW-YCRPNKLZSA-N 464.592 1.351 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCN(C)C1 1722664395 YQSZEIMUIRFXLD-JXFKEZNVSA-N 451.618 1.501 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1722732395 XYLLPOUJNWJJDE-RTWAWAEBSA-N 487.582 1.714 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCS(=O)(=O)Cc2ccccc2)C1 1731179428 BZMBGZHWCNQKMX-UTKZUKDTSA-N 460.535 1.676 30 10 JDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740588762 GLJKWMGYPXBQNU-UHFFFAOYSA-N 483.598 1.466 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1740591888 QTEULPQYQHYYFA-LJQANCHMSA-N 476.559 1.612 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 1740616829 HSNSDNBKMHAUJP-WMZOPIPTSA-N 476.555 1.406 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CCC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740619569 KJYBMEWCFWMJOY-LJQANCHMSA-N 471.583 1.129 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCOC[C@@H]1C 1740643637 OTTWYMBANLBYFY-DEOSSOPVSA-N 475.641 1.436 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCOC2CCCCC2)CC1 1740690838 OLJOZXNMZWFQNO-SFHVURJKSA-N 452.625 1.383 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)(C)C)C1 1740717276 NSXSDDIQXIPXFW-IAGOWNOFSA-N 455.650 1.850 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC)CC1 1740751493 KYWIOVKSHLWRPZ-WMZOPIPTSA-N 455.519 1.795 30 10 JDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1740791451 HNFMJEWGRMGROX-QGZVFWFLSA-N 451.597 1.379 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740843356 FOCXWYDCCGKXBO-KRWDZBQOSA-N 467.640 1.828 30 10 JDEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(C)(=O)=O 1740924754 BUQQIGPKNDSDNO-UHFFFAOYSA-N 452.606 1.770 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1740991734 CNRHZHBWBYBTEZ-AZUAARDMSA-N 466.652 1.066 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCCS1 1741675472 ANMSWZMTKJMGAC-HOTGVXAUSA-N 455.592 1.689 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2C#N)CC1 1741713579 DUHRQPFUAOHAII-UHFFFAOYSA-N 494.625 1.790 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1c(F)cccc1F)N(C)C 1748673124 ZCQISOHCANNBTB-IPELMVKDSA-N 496.584 1.650 30 10 JDEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1748811446 HBGNLFWVEKKXLJ-HNNXBMFYSA-N 461.569 1.098 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OC)c1OC 1748930112 XSRXBMIBDUJOPF-SFHVURJKSA-N 463.560 1.136 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCOCC(F)F)CC1 1748990167 UYRMZVNBEQQZPN-UHFFFAOYSA-N 474.560 1.879 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2csc([C@H](C)OC)n2)CC1 1749009320 OUGXOXAOKDUUCG-HNNXBMFYSA-N 468.587 1.857 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1749650527 ARSYGUIWEYBIRO-GJZGRUSLSA-N 481.648 1.593 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@]2(C1)OCc1ccccc12 1749650544 AVQCZZFRSMDODC-OPAMFIHVSA-N 474.587 1.216 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1c1cnn(C)c1 1749678000 RTZJXJUDVUHOKD-INIZCTEOSA-N 454.560 1.647 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(NS(C)(=O)=O)CC1 1749729847 ULLXYMCBFMMAJI-UHFFFAOYSA-N 483.616 1.073 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCOC(C)(C)C1 1749730823 RRQWPGMRCBVVJD-UHFFFAOYSA-N 472.571 1.408 30 10 JDEE CC(C)CN1C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NC(C)C)CCN2C1=O 1750829476 BIPNTEYQFVOBKE-HXUWFJFHSA-N 464.574 1.924 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1760154242 CABOQNKGCVYGGJ-FQEVSTJZSA-N 488.614 1.776 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(OC)c2)CC1 1760154956 MOQDJFSYPZMLJG-NRFANRHFSA-N 488.614 1.360 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1760180967 NSKBCVZOGKLHRQ-SFHVURJKSA-N 459.572 1.495 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1760185121 QBUQDUITPMITIN-LJQANCHMSA-N 464.551 1.308 30 10 JDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1760187529 WPUQZZJVZPSXHA-FCEWJHQRSA-N 464.519 1.402 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1760188472 AKJRYMYGPXUDLW-INIZCTEOSA-N 473.509 1.667 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1760189648 QLYYQWAJOQNQLP-IBGZPJMESA-N 452.540 1.907 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cnnn1C 1760216744 ZRPNFFPSTSIJEL-UHFFFAOYSA-N 455.526 1.705 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1760219303 AODCRHXWNVOORI-MIZPHKNDSA-N 475.615 1.279 30 10 JDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCS(=O)(=O)C1 1760235138 CSRLJEYRWOLNQU-QZTJIDSGSA-N 481.619 1.871 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCc1nc(C)cs1 1760235623 RUCOZROTEIDLLD-KRWDZBQOSA-N 466.633 1.858 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2C(F)(F)C23CCC3)CC1 1760266133 QMJFKCJONYJYEG-HOCLYGCPSA-N 484.573 1.290 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC(=O)N(C)[C@H](C)C1 1760518036 GOIQDAYLHSMLMZ-GFCCVEGCSA-N 465.327 1.816 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H]1C 1760550619 DKVZLMKSYAMZQG-INIZCTEOSA-N 467.617 1.785 30 10 JDEE 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30 10 JDEE C#CCC[C@@H](N)C(=O)Nc1c(I)nc(C)nc1I 2058123160 PHCLFCABTDXDBR-SSDOTTSWSA-N 470.052 1.673 30 10 JDEE COC1(CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255644971 MEVOMRMMAFKFCK-UHFFFAOYSA-N 453.370 1.808 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1(CNC(=O)OC(C)(C)C)CCC1 2267368392 IQJLJEHJDBEUJX-UHFFFAOYSA-N 470.401 1.445 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2C(NS(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267469232 RWXBLRDXWSFXDR-STQMWFEESA-N 485.437 1.727 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC[C@@H](COCc3ccccc3)C2)n1 2267473711 JMZDXTIYVMGMHI-GOSISDBHSA-N 461.393 1.947 30 10 JDEE COC(=O)C1(NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267548319 FPFNFWXKRMBSKF-UHFFFAOYSA-N 467.353 1.335 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267707871 ZHYNXRUMMKJUNH-KBPBESRZSA-N 485.437 1.966 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2268777126 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451.637 1.559 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286390202 YNLHMWHOAJJWEF-QUCCMNQESA-N 465.583 1.887 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1286395268 MKSRFOZPSWKLFQ-IBGZPJMESA-N 471.583 1.279 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccco1)N1CCCC1 1286410617 VHCKPXASNLDTMA-TZIWHRDSSA-N 486.598 1.114 30 10 JDEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H]2C[C@H]3COC[C@@H]3N2C(=O)OC(C)(C)C)CC1 1286484699 VDBDALTUXXIBFX-UFYCRDLUSA-N 474.606 1.594 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)CCC)CC1 1286488663 QEALPJWNSDMZBY-BJKOFHAPSA-N 461.607 1.836 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)[C@@H]1C 1286507723 CAHYUFTVHFRNAY-JYJNAYRXSA-N 459.663 1.308 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)Cc1cnn(C)c1 1286546113 GICLGPSHTRXWJJ-NJAFHUGGSA-N 451.597 1.630 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 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C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1539222911 YMSQUMIBGCVGCY-CABCVRRESA-N 450.590 1.261 30 10 JDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCCN1C[C@@H](C)O[C@H](C)C1 1539412926 DUEVRNNLJPIWAH-QZTJIDSGSA-N 458.563 1.591 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCCS1(=O)=O 1539416409 NRKUIQRGGMVWMC-FQEVSTJZSA-N 487.630 1.505 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1539484400 NVJONGRCOWRNKY-RTWAWAEBSA-N 452.559 1.281 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCCC1 1539668863 GXXRCKMPQMLDSG-IBGZPJMESA-N 454.641 1.889 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2ccccc2)CC1 1539730026 NOEZZJVSLPYMGK-GOSISDBHSA-N 463.604 1.969 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1540864688 IJSDOWXHCHNUSY-MRXNPFEDSA-N 472.571 1.759 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1540887020 NYFVVPCDZYGMEM-HTAPYJJXSA-N 478.571 1.293 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1540897427 IXRGQHSYDOHRQV-MOPGFXCFSA-N 465.620 1.758 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2CCCC[C@@H]2C1 1540908364 UKYUNUCGGVGORG-OTWHNJEPSA-N 453.609 1.277 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCC1(O)CCC1 1541939591 AUTOFPDRXURETA-SFHVURJKSA-N 487.630 1.782 30 10 JDEE COc1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 1546060592 DEIPZNZMYAHSKL-UHFFFAOYSA-N 459.510 1.731 30 10 JDEE CNC(=O)[C@H]1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)CN1S(=O)(=O)N(C)C 1548380255 UVRPSZHUMHAGRV-QGZVFWFLSA-N 473.521 1.790 30 10 JDEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1552693270 IBWBONNZCUKBIU-GOSISDBHSA-N 466.546 1.153 30 10 JDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)C[C@H](C)O1 1555404464 GJYBPEPEKSJAQK-UWJYYQICSA-N 451.531 1.945 30 10 JDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@@H](C(F)F)N1CCOCC1 1587985165 UXJDKECXTIJPGO-IBGZPJMESA-N 474.560 1.878 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588073928 GBXILMMMDRZQCJ-HBMCJLEFSA-N 493.674 1.751 30 10 JDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1ccccc1F 1588162087 ISYMKWIOJFXLNA-UHFFFAOYSA-N 464.526 1.912 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCO[C@H]1C 1588471971 BASRIINUUSJMHF-CKJXQJPGSA-N 465.551 1.207 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1588638223 PVGGHRNKMKROFN-QGZVFWFLSA-N 451.531 1.401 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@H]2CCS(=O)(=O)C2)n1 1588723075 JGEFEYPMTSEISA-QGZVFWFLSA-N 457.560 1.191 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC12CCOCC2 1589662773 BQQLELQPNKSETP-MSOLQXFVSA-N 453.609 1.830 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1595593575 GMTCSVURVMVEJO-HSZRJFAPSA-N 454.531 1.274 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C(N)=O)C1 1595760614 RBGFGWRWLIMIEO-HUUCEWRRSA-N 467.979 1.984 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1595772440 AJKFQMUROBNPBQ-YWZLYKJASA-N 467.979 1.979 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@H](C)C1 1595804946 IXBPCFNJSCPCPA-MSOLQXFVSA-N 499.634 1.803 30 10 JDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1595890592 ZOLJHDGWCZFTSI-KRWDZBQOSA-N 453.576 1.715 30 10 JDEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(C(N)=O)CCOCC2)cc(OC)c1OC 1619078471 DXYALIXHGXFKKG-HSZRJFAPSA-N 488.520 1.695 30 10 JDEE C=CCN1CC[C@@H](N(C)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2CC)C1=O 1626098566 LULUIGZAMAAWTI-LJQANCHMSA-N 450.561 1.521 30 10 JDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)C2=O)cc1 1682226054 BFXRSOSNDJJWAS-HXUWFJFHSA-N 452.559 1.175 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C(C)C)n1 1689966695 ZFTJZJHCYQMOLV-MRXNPFEDSA-N 452.606 1.503 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC[C@H]1CCOc2ccccc21)[C@H]1CCS(=O)(=O)C1 1689977912 GZVCILTVCXUHGT-OALUTQOASA-N 485.610 1.999 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(-c2ccco2)n1 1690077668 TXWPRQQGOVPNKD-QGZVFWFLSA-N 476.584 1.835 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1690678358 UBYGGKJHJFAZMP-ZWOKBUDYSA-N 474.537 1.886 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](COC)C1 1690717331 CAUCESULTYJGRB-INIZCTEOSA-N 468.601 1.422 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](COC)C1 1690717332 CAUCESULTYJGRB-MRXNPFEDSA-N 468.601 1.422 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1690732064 UYYGQEYQYDVQSN-HXUWFJFHSA-N 494.662 1.255 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCc2sccc2C1 1692660675 BJVKVNJDGKFTOI-WMZOPIPTSA-N 493.659 1.469 30 10 JDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705529444 IZWGHZHQMTYZII-UHFFFAOYSA-N 452.515 1.896 30 10 JDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1705532554 BYWCNMRHIXDWPX-AABGKKOBSA-N 455.607 1.460 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1705563483 YOELWYAHNJOHHZ-IBGZPJMESA-N 454.556 1.360 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1705568385 MSRIICRJMIQSBI-WMZHIEFXSA-N 458.584 1.953 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1705908612 FLSWKWSOIFYTTQ-PXNSSMCTSA-N 488.614 1.718 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2cccc(C)n2)C1 1705924504 DOHFURMJNKBCNE-NHCUHLMSSA-N 490.630 1.729 30 10 JDEE CS(=O)(=O)NCCn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1712712278 DNEKSXUTWCNFBJ-UHFFFAOYSA-N 475.594 1.897 30 10 JDEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1722313817 DNVFYXLQJPXFOO-UHFFFAOYSA-N 476.585 1.778 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1722360711 JBDHGHOGPZYWGI-NRFANRHFSA-N 464.551 1.974 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1722361658 IPPREGFESBZODB-QGZVFWFLSA-N 460.556 1.852 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(OCCC)nc2)CC1 1722433519 YJEIEPXWQRVSLR-DEOSSOPVSA-N 454.575 1.918 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1722728393 VMYIHBTULGRFLQ-PMACEKPBSA-N 466.652 1.337 30 10 JDEE CCN1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1728637364 DYSMUGXEPYPDCE-QFIPXVFZSA-N 485.658 1.716 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1740626150 STWJUXSPXMSSHC-OAQYLSRUSA-N 482.610 1.871 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1N1CCOCC1 1740629337 JZVPUMYDFQSCTQ-UHFFFAOYSA-N 456.510 1.278 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)C(=O)NC 1740631508 UQFPUPQGJQLJKO-UHFFFAOYSA-N 456.572 1.040 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2C[C@@H]2NC(=O)CC2(C)C)n1 1740688220 CBAUQOREIUICMQ-UXHICEINSA-N 469.590 1.917 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1740692014 FUYGYCZKQVYGIL-OAQYLSRUSA-N 451.619 1.735 30 10 JDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCSC 1740745269 QLWPWJXQDKVQKR-CYBMUJFWSA-N 468.443 1.709 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)OC)C1 1740759199 AWTHYMUTXMSHPJ-TVFCKZIOSA-N 452.577 1.551 30 10 JDEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740802648 NFFFGYIZBHIKID-HIFRSBDPSA-N 465.341 1.971 30 10 JDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1740885673 LUSYONPFFXOWEB-KRWDZBQOSA-N 457.535 1.517 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1740889124 ZGQATDVBSPNSKS-IBGZPJMESA-N 473.599 1.935 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1740963665 SWQGULVHQRRBMP-UHFFFAOYSA-N 476.585 1.287 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cc(C)no2)CC1 1740991792 DUFRICJDPVXLKL-KRWDZBQOSA-N 450.565 1.001 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C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CC(=O)N(CCOC)C1 1705479359 HVAVNRUCIMJHJZ-LSDHHAIUSA-N 463.380 1.999 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1NC(=O)CC1(C)C 1705481408 GDTKIDPEYSCAER-MAUKXSAKSA-N 458.588 1.568 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccc(OC)cc1 1705494775 FQSBXQUGHUILDY-PXNSSMCTSA-N 477.587 1.547 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)C(C)C)c1 1705504324 SQSSKVSMPXRFEM-DEOSSOPVSA-N 452.559 1.977 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1705510540 RRRPQWUYGMKTLF-QGZVFWFLSA-N 465.624 1.418 30 10 JDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1705561999 XJKZCPUBKXIAMV-MOPGFXCFSA-N 494.017 1.913 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1705563462 YDPQXDZBXDAOHK-PKOBYXMFSA-N 471.583 1.495 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1705567402 VYDZFECTKTVERJ-MOPGFXCFSA-N 492.623 1.273 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(F)cccc2N2CCCC2)CC1 1705632821 CKBBWFUXFHSGRL-GOSISDBHSA-N 489.621 1.431 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCC2(C)C)CC1 1705638951 CCBXOGQQTWTSFL-MOPGFXCFSA-N 464.636 1.193 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCN(CCC(C)C)CC2)CC1 1705639145 HLLRYAVXVOGMFM-JOCHJYFZSA-N 476.691 1.694 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)C1CC1 1705674786 QYPZUGOBZRPOOF-HGHGUNKESA-N 450.609 1.086 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(Cc1ccnn1C)C1CC1 1705697795 NVLYTAFIUJKYSX-MDZRGWNJSA-N 463.608 1.772 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1705895265 ZWYQEMRVAYUASH-HJPURHCSSA-N 488.976 1.548 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCn2nc(C)nc2C1 1705895818 SZXRTPICLQENGP-UHFFFAOYSA-N 460.340 1.268 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)Cc1ccccc1OC 1705903057 PGQHUTOAOCDIQQ-SJLPKXTDSA-N 461.588 1.558 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1705934594 QNQBIKXVGWKYAJ-UHFFFAOYSA-N 467.555 1.498 30 10 JDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1706647958 DNFFIUROJGUUAG-UHFFFAOYSA-N 481.601 1.802 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](OC)C2CC2)c1 1722306133 OHHVVDUEKVYMNA-FQEVSTJZSA-N 450.543 1.995 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1722332260 HERDWBXVIZEPQR-GOSISDBHSA-N 462.532 1.569 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1722358298 FVKUCRPDOZDEHQ-QGZVFWFLSA-N 462.601 1.148 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722358695 KSNQPFKQRXEXEO-LJQANCHMSA-N 486.598 1.252 30 10 JDEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1722370560 CLYDKZIQCJPPSL-QZTJIDSGSA-N 459.547 1.961 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)n1 1722427517 KSIGCNIAESVYSO-RUZDIDTESA-N 472.553 1.778 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(NC(C)=O)cc2)CC1 1722440296 BVWHHHJEYOUVIN-UHFFFAOYSA-N 465.558 1.389 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1722453587 YQPDRIKRXZZZRW-UHFFFAOYSA-N 475.663 1.307 30 10 JDEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722460667 JRUUYHXZCOCHIL-UHFFFAOYSA-N 456.547 1.895 30 10 JDEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1722553078 CBSIQXGWERZNJL-UHFFFAOYSA-N 482.614 1.922 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(C)on2)CC1 1722629811 OIKSGRROAAQKRC-SFHVURJKSA-N 464.592 1.392 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CC(=O)N1CCOCC1 1722724038 LKWRBAWQAIBGPK-UHFFFAOYSA-N 499.597 1.231 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C(=O)NC)CC1 1722724040 LNDRTZOQFMGDLD-UHFFFAOYSA-N 499.435 1.609 30 10 JDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCCS1(=O)=O 1723770709 AWOLUDMAEVNFJB-OAHLLOKOSA-N 466.589 1.122 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CCn2cc(Br)cn2)c1 1731180350 HNTDVOKVUKELJY-UHFFFAOYSA-N 455.320 1.802 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCO[C@H]1C 1740560165 CTAKUEBIJWRWMD-WATLYSKOSA-N 452.603 1.641 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)CCCO2)[C@@H]1CCS(=O)(=O)C1 1740615896 NGFFRIUJMCQSRU-LJQANCHMSA-N 471.583 1.416 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(=O)NC(C)C)CC1 1740694511 LTPVXDJZGIKSLR-IBGZPJMESA-N 473.622 1.672 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nccc(C(F)F)n2)CC1 1740840392 XYOCCNQINVGHSQ-INIZCTEOSA-N 483.545 1.789 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1740865836 WBEHHOXQICQQBF-WOJBJXKFSA-N 482.651 1.268 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1740947032 OEFJYHVNLQEOKJ-UFYCRDLUSA-N 466.652 1.888 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1740955352 RBKWESQNOVTYKR-UHFFFAOYSA-N 461.526 1.613 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1740963216 DFSFIYVAUFNDLB-GOSISDBHSA-N 458.950 1.934 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1740992866 VCQVLUZSVCMFIR-AZUAARDMSA-N 494.639 1.829 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCC(NC(C)=O)CC1 1740993734 HJZVSVHETYZCMC-UHFFFAOYSA-N 461.588 1.871 30 10 JDEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1741038148 MARAQCXQNPOKBB-QHCPKHFHSA-N 451.531 1.266 30 10 JDEE CCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)CCOCC1 1744280131 FCDAGECMQPXCBD-GOSISDBHSA-N 481.605 2.000 30 10 JDEE CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)C(=O)OC(C)(C)C 1746324614 ATSOWIZLYOPECP-MGPUTAFESA-N 470.571 1.879 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(COC)CCOCC1 1748776979 UPVUUFGYVUTXED-UHFFFAOYSA-N 461.588 1.708 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCC(OC)CC2)CCCC1 1748864204 SUUGVAGKWNQPDY-FQEVSTJZSA-N 490.674 1.775 30 10 JDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC(=O)N1CCN(c2ccccc2)CC1 1748900249 APYUUNLCKRHFEX-UHFFFAOYSA-N 484.608 1.951 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](CC)N2CCc3ccccc3C2)CC1 1748972203 CXLHFTKVXXUEPR-NFBKMPQASA-N 499.685 1.480 30 10 JDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1)OC 1749326092 AYNHYZPZNRAIDP-HXUWFJFHSA-N 469.546 1.052 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(C(=O)NC)CC1 1749657741 CKZPYZUOVNKDKX-UHFFFAOYSA-N 461.364 1.972 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCNS(=O)(=O)CC)C1 1749695949 MLHITAZQABMVPX-AWEZNQCLSA-N 473.397 1.756 30 10 JDEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)C1 1749994223 GZLOBPFCTUCXOP-KNQAVFIVSA-N 481.601 1.802 30 10 JDEE Cc1csc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(c3ccccc3C#N)CC2)n1 1751749185 CQRXPRIRLKFILQ-INIZCTEOSA-N 486.627 1.900 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760114509 NYIRNRSMHOJOCH-XLIONFOSSA-N 476.585 1.995 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1760182201 BYBCXRHLJWVHEL-ZWKOTPCHSA-N 494.664 1.871 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCc3cc(OC)ccc32)CC1 1760254508 YZHKSFWBYAIWAL-ICSRJNTNSA-N 486.642 1.772 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2(C(=O)NCC)CCC2)CC1 1760271887 QBUUFBKSXHRIIF-UHFFFAOYSA-N 463.586 1.536 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](C)C1 1760280336 PBLYDUFJGLQLER-SFHVURJKSA-N 481.626 1.715 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCCC1 1760294864 INAMOSRZTHTOQM-WIYYLYMNSA-N 464.636 1.478 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1760510059 DVNHGHOCYPNXKM-LJQANCHMSA-N 474.587 1.196 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760527056 XUDLBNQSDUMJIZ-UHFFFAOYSA-N 487.948 1.333 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(C)ccc21 1760554824 NVWNMAQMTBKUKD-IBGZPJMESA-N 495.627 1.214 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@](O)(c3ccc(F)cc3)C2)nnc1[C@]1(OCC)CCOC1 1760558411 ODFZNBSSTJBTJF-GOTSBHOMSA-N 494.589 1.768 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1761362110 AJQOSAOLDILGBS-ILXRZTDVSA-N 464.514 1.182 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H](C)COC 1764180584 DIEFKRPEJJLMQP-SJORKVTESA-N 469.594 1.856 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCCCC2)CC1 1766879930 DMKYCHOAZGALBE-UHFFFAOYSA-N 451.575 1.722 30 10 JDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCNC(=O)c1ccccc1F 1767942333 DCUBKBYHMYLDCR-QGZVFWFLSA-N 493.547 1.760 30 10 JDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1769899877 GTAVBGUPHIGVBS-UHFFFAOYSA-N 472.615 1.943 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1772660447 XUBMUIMBLMXUTQ-FPOVZHCZSA-N 492.598 1.947 30 10 JDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc2c(c1)OCCO2 1862631085 JBTGATNMGOUBKQ-OAQYLSRUSA-N 466.446 1.901 30 10 JDEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(O)cc1 1865723925 WGZJFDAHWSYEGY-QGZVFWFLSA-N 456.543 1.961 30 10 JDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)Oc3cccc4c3C(=O)N(CCNC(C)=O)C4=O)cc21 1865827395 IJNJRZULUFREOH-HNNXBMFYSA-N 491.500 1.980 30 10 JDEE N#Cc1ccc(Cn2nnc(C#N)c2NC(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)cc1 1870108936 DMXSSJXVBPAEBH-KRWDZBQOSA-N 455.434 1.760 30 10 JDEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN(CCO)Cc2ccccc2)cc1=O 1870561416 MCYNRAZLIVGVHZ-UHFFFAOYSA-N 495.601 1.745 30 10 JDEE CCCCCCCCN=c1[nH]c(=NCCCN2CCCC2=O)[nH]c(=NCCCN2CCCC2=O)[nH]1 1871461947 GJBVVCZFZVQSNS-UHFFFAOYSA-N 488.681 1.759 30 10 JDEE C=CCn1c(C(=O)N2CCC3(CC2)OCCO3)cc2c(NCCN3CCOCC3)ncnc21 1875227490 BUGIDMUVAKXWSO-UHFFFAOYSA-N 456.547 1.341 30 10 JDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1sccc1C#CCO 2164498653 UUHUVGWHLGWZAK-HXUWFJFHSA-N 450.513 1.536 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CO1 2255754248 WXHSDHBWYJFSHA-HNNXBMFYSA-N 454.354 1.815 30 10 JDEE Cn1ncc(C(=O)N=[S@@](C)(=O)CCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255824103 BHSIKELXLMLTEW-HKBQPEDESA-N 456.374 1.482 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2255943059 QHUOYBKPKXHOAC-ZIAGYGMSSA-N 474.410 1.306 30 10 JDEE Cn1ncc(C(=O)N=[S@@](C)(=O)C2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267012750 ZKQCJLJUKICANS-YTTGMZPUSA-N 468.385 1.577 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2267090263 CFSOALYXMCHGGW-UKRRQHHQSA-N 450.345 1.057 30 10 JDEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267098331 YGLDTIMXTUHKMS-GJZGRUSLSA-N 450.345 1.463 30 10 JDEE Cc1cnc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2281957128 HUAYRTQOWUZCDV-JKSUJKDBSA-N 461.368 1.789 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 2282006166 TYVVBESHQLLBHN-OAHLLOKOSA-N 464.372 1.393 30 10 JDEE Cn1nc(C(=O)NCc2c[nH][nH]c2=NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282050639 NNRIZYBZDYHIMR-UHFFFAOYSA-N 480.762 1.795 30 10 JDEE Cn1nc(C(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282545305 IHOKOLLSZIGIBK-UHFFFAOYSA-N 484.790 1.474 30 10 JDEE CN(C[C@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCO1)C(=O)OC(C)(C)C 2282577409 DUVFJXZWYSWJQH-HNNXBMFYSA-N 464.372 1.427 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)C[C@H]2[C@H]1CO 2282626092 DQADMMTYUGNUGZ-ARFHVFGLSA-N 462.352 1.879 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2282837645 FXIXRUFTWSZNSE-CWRNSKLLSA-N 482.412 1.396 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282858007 QIPFXTAQIBJQOZ-MRXNPFEDSA-N 483.396 1.295 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 2285215420 UMKJFOJCDKZSOE-QGZVFWFLSA-N 461.368 1.743 30 10 JDEE COc1cc(CNC(=O)[C@H](O)[C@@H](C)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2289459769 MJQMQWCIGFQLHF-RDTXWAMCSA-N 464.368 1.885 30 10 JDEE CCN(CC)C(=O)COc1ccc(C=CC(=O)C(=O)N2CCN(c3ncccn3)CC2)cc1 2323177768 NZYCKAVWNNXMMT-UHFFFAOYSA-N 451.527 1.655 30 10 JDEE COc1ccc(OC[C@@H](O)Cn2c(NN=Cc3ccccc3)nc3c2c(O)nc(=O)n3C)cc1 2327751590 NQQHOVNJYNOQKB-INIZCTEOSA-N 464.482 1.730 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2334388711 ICOVZPXRKCYOPP-MRVWCRGKSA-N 469.369 1.112 30 10 JDEE CO[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2365476410 DVPMGTREFKDBPO-CQSZACIVSA-N 488.387 1.943 30 10 JDEE Cc1c(C(=O)NCCN2CCOCC2)oc2c1/C(=N/NS(=O)(=O)c1ccccc1)CCC2 40814969 QTFHKWWNDZFJGD-HKOYGPOVSA-N 460.556 1.669 30 10 JDEE C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)c1C 59829892 AJFOHRVPVQQSCU-FOKLQQMPSA-N 483.558 1.939 30 10 JDEE COc1ccc(Br)cc1C=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1 252623261 ONLLXFZOOZZCBF-UHFFFAOYSA-N 478.351 1.762 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCCc2nnc3n2CCCCC3)CC1 572859587 HNEUQFSCHMUTRR-UHFFFAOYSA-N 471.587 1.525 30 10 JDEE CCc1ccccc1-n1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2)c1=O 609405725 ANJJGDSKRUQAJH-UHFFFAOYSA-N 488.613 1.413 30 10 JDEE C#CCN(C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)[C@@H]1CCS(=O)(=O)C1 729331301 BBQDGQCVWCZEJT-CQSZACIVSA-N 470.477 1.008 30 10 JDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(OC(F)F)cc1 729669665 AWHCTZRGBMSASM-UHFFFAOYSA-N 493.495 1.930 30 10 JDEE COc1cccc(CNC(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)c1OC 1084343766 REUPSOMKIYVWFM-UHFFFAOYSA-N 457.516 1.569 30 10 JDEE CC(=O)N1CCN(Cc2ccc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cc2)CC1 1152620011 DYEATZPNPQWVBB-UHFFFAOYSA-N 455.540 1.139 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)N1CCSCC1 1286271612 UIYWVPPVKLDWAP-GOSISDBHSA-N 490.655 1.984 30 10 JDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1286343847 NPEXMRZVLVOEMR-UHFFFAOYSA-N 451.575 1.637 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccccc1 1286408513 CNKMPKSTJHZVTD-FQEVSTJZSA-N 473.624 1.617 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccco1)N1CCCC1 1286410611 VHCKPXASNLDTMA-CTNGQTDRSA-N 486.598 1.114 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nc2c(s1)CCCC2 1286419779 FMPGZXGROGFLPU-INIZCTEOSA-N 460.629 1.929 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NCCC 1286427638 LEEVRYDGTTXICI-IBGZPJMESA-N 472.590 1.966 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCn2cc(C)nc21 1286430752 JCOZENIUQDGDRY-WOJBJXKFSA-N 485.614 1.156 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cccs1 1286431664 QEGTZRXZRRCLHB-DYESRHJHSA-N 477.612 1.043 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@@](C)(CC)O1 1286431785 RLTIOENPDQEJJR-XQBPLPMBSA-N 463.604 1.422 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CCOC(C)(C)C2)CC1 1286474254 GHQJDROIIWGYAL-UHFFFAOYSA-N 468.602 1.828 30 10 JDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@]2(O)CCO[C@H]2C)CC1 1286485357 JBNZWDQGPULPDQ-MBSDFSHPSA-N 457.600 1.874 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(=O)N(C)C2CCCCC2)CC1 1286486056 GNMBBQDTIFOUBW-UHFFFAOYSA-N 499.660 1.953 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)CC(N)=O 1286561469 NMWHNPPCGLJJJP-MDZRGWNJSA-N 475.619 1.920 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1286628673 DWBLWCWNCMVJQR-HOTGVXAUSA-N 489.042 1.495 30 10 JDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(CO)CC2)cc1 1286714830 UHJYOESHZJTPBF-QGZVFWFLSA-N 462.620 1.768 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)OC)CC1 1286780674 YJLPJXBSRRUALL-UHFFFAOYSA-N 463.336 1.898 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@@]3(CCO[C@H]3C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286793967 QZOOYWWTUCURLI-KKFFFLSNSA-N 490.605 1.735 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(O)CCSC2)C1 1286805082 QGQVQJWMIWHHIY-DYESRHJHSA-N 464.613 1.998 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286821152 BSWITFQUBQFGFT-SFHVURJKSA-N 482.628 1.492 30 10 JDEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C(=O)NC)CC1 1297639218 BEUGYOWENCSDSX-UHFFFAOYSA-N 458.588 1.992 30 10 JDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1300337182 VBQZBNPFGOEOQL-SIKLNZKXSA-N 471.650 1.989 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(F)(F)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300478934 HBKONMKEZRLMKO-QGZVFWFLSA-N 465.526 1.835 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1300482326 FECPFYDQRYBQOR-HLIPFELVSA-N 488.557 1.370 30 10 JDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1300776535 LTVQOLBZOPHLKO-KRWDZBQOSA-N 456.572 1.788 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1300882525 VLOVXBHBQNTMIY-VQTJNVASSA-N 467.574 1.495 30 10 JDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1301012757 HNVXNBBXOUVANZ-OAHLLOKOSA-N 454.959 1.997 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(CCO)Cc1cc(Br)ccc1F 1301490631 BWGSAHRUSORUHC-UHFFFAOYSA-N 492.353 1.881 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1301515012 OSGOTTDQJRFNQO-CTNGQTDRSA-N 468.602 1.879 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccco1 1301589887 ZHABQYMYGFPYEM-HZPDHXFCSA-N 454.574 1.716 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1301662986 UNLPKEHKUYNWJM-FPOVZHCZSA-N 479.585 1.948 30 10 JDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CCCCS1(=O)=O 1302953918 FSDCRNAYYVDCLB-MSOLQXFVSA-N 472.619 1.821 30 10 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30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](OC)c2ccccc2)CC1 1286490972 ZDZQLDKEBSEVGO-PMACEKPBSA-N 450.543 1.583 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCS(=O)(=O)C(C)(C)C)CC1 1286493430 HHEDZHGBOGGNHH-UHFFFAOYSA-N 492.671 1.813 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1286607241 DHGGQSBLLWPJOB-LJQANCHMSA-N 465.620 1.612 30 10 JDEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1287043665 AFSNWBGGQCECSI-GOSISDBHSA-N 487.630 1.887 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC2(S(C)(=O)=O)CC2)c1 1300336347 DHYLBAXLIOKQKN-GOSISDBHSA-N 457.556 1.763 30 10 JDEE C#CCN(c1nnc(C(C)C)n1C[C@H](N1CCOCC1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300483125 HZWGLDLJEHPSNQ-CVEARBPZSA-N 463.526 1.291 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1300502799 XRKFZTFOEKLYFI-PKOBYXMFSA-N 463.629 1.278 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1300684228 YFZZCJZVXKXKLO-ROUUACIJSA-N 461.563 1.747 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC2(S(C)(=O)=O)CCC2)CC1 1300727356 YFGBAHPGOOZRJK-UHFFFAOYSA-N 470.599 1.197 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1301491314 PCNJFTPHPOMNBF-OAHLLOKOSA-N 455.544 1.487 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCC(=O)N(C)C)C1 1301554942 PWWLNTOCNCZJLK-QGZVFWFLSA-N 475.619 1.888 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccncc2Cl)C1 1301558168 SXDVNERSDXLBOU-WMZOPIPTSA-N 482.994 1.489 30 10 JDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)C[C@H]1C 1301887475 HTJOHCUFJVNDIA-OFNKIYASSA-N 467.618 1.820 30 10 JDEE C#CCN(C(=O)c1nnc(C(C)(C)S(C)(=O)=O)o1)C1CCN(C(=O)OC(C)(C)C)CC1 1303655261 ABCAGXMGKNKJFG-UHFFFAOYSA-N 454.549 1.824 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCN1CCOC[C@H]1C 1303809196 GSTSSPYOOUMUJF-IAGOWNOFSA-N 461.592 1.117 30 10 JDEE CN(C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)C1CCCCC1 1314649772 DJXOVHCQVMAHLO-RTWAWAEBSA-N 493.678 1.861 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCCn2ccnn2)c1 1358900715 QXMBJKNCGWOQCG-UHFFFAOYSA-N 484.524 1.663 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)c1cc[nH]n1 1358900911 VTVWUGKKHVNUGP-OAGGEKHMSA-N 456.551 1.660 30 10 JDEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCN(S(C)(=O)=O)CC1 1358908596 CJMCFRFJHHAYGC-UHFFFAOYSA-N 459.572 1.992 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CCCCN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1358960070 WFGWIIQOBOODBW-HSZRJFAPSA-N 484.670 1.990 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358960162 YNTMDWDXSHDIQM-INIZCTEOSA-N 477.974 1.084 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCO[C@@H]1CCCC[C@H]1C 1358994714 UXUIVADZGNPQGS-NJYVYQBISA-N 477.631 1.669 30 10 JDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1359202941 FQYAHGMQMQAXDK-ZWKOTPCHSA-N 451.593 1.364 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(N(C)C)CCSC1 1359272149 MCTADNWNPKTKRS-FXAWDEMLSA-N 470.665 1.227 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1359291996 GICJPRXVXISJFX-UHFFFAOYSA-N 478.532 1.689 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1359304447 YGGFKUWRRIRUIP-UHFFFAOYSA-N 497.629 1.018 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cc1 1359308175 GPNZPUIORHCGNS-XLIONFOSSA-N 474.587 1.962 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccsc2)C1 1359321483 HAKNXSLZLVNPOU-IAGOWNOFSA-N 453.590 1.502 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1359330290 NLODOLQZBKLKKT-UHFFFAOYSA-N 470.621 1.124 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1359333018 MKVFPPXTSJCZHT-GOSISDBHSA-N 494.639 1.826 30 10 JDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CSCCS1 1503437636 BHUVLFRDEFXNQS-SFHVURJKSA-N 458.613 1.960 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1nc2cc(OC)ccc2n1C 1507702938 PBRWUNDJJAAMOC-UHFFFAOYSA-N 451.531 1.544 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1507720234 SYIYPSHCZWDSCU-QZTJIDSGSA-N 458.529 1.642 30 10 JDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(=O)COC)CC1 1507843531 NRFPNQTXGFPRCJ-UHFFFAOYSA-N 460.535 1.330 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(CC)CCC)CC1 1507903704 UCVPPAXPKGCOPU-LJQANCHMSA-N 454.641 1.745 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1508125245 HYLBIZJXHAMQTD-PGRDOPGGSA-N 462.572 1.208 30 10 JDEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539097413 MEOASSJUROHSCG-CQSZACIVSA-N 475.322 1.407 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1539212525 PVQRIRYEFPBFIP-QHAWAJNXSA-N 458.584 1.674 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2ccc(F)cc12 1539267149 WUYUBOUKVATMFY-OAQYLSRUSA-N 484.557 1.547 30 10 JDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)c1ccccc1 1539289465 MYCCTRYWMVURCQ-UHFFFAOYSA-N 467.576 1.816 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1539915628 CGXOSLDEMOXEFQ-RTBURBONSA-N 477.635 1.390 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1540854848 HWFFFFDQPQIAHE-UHFFFAOYSA-N 460.604 1.525 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1540867386 USPYYIAOFSWGCD-CQSZACIVSA-N 480.447 1.481 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ncc(F)cn2)CC1 1540903960 HWUMZWHSVYWIEP-UHFFFAOYSA-N 472.550 1.120 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1540907051 KJKZURMXRKRTHQ-SFHVURJKSA-N 461.588 1.729 30 10 JDEE C#CCN(C(=O)Nc1ccc(C(=O)N[C@@H](C)C(=O)OCC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1562443627 GIOJXBKXGUJLCQ-ZFWWWQNUSA-N 453.492 1.161 30 10 JDEE C#C[C@H]1COCCN1C(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)cc1 1584770749 IYVCHYZPZFIOEE-RBUKOAKNSA-N 454.552 1.973 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1587568232 OVWFWNCEJHUFOC-GKAYAJSDSA-N 459.570 1.734 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CCC[C@H]2C)c1 1587693296 RCKYLDUSFJRWRT-MTJJIEKYSA-N 450.543 1.837 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1588041570 XYLZZIJEOCVPON-SFHVURJKSA-N 484.582 1.565 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1588049803 LIVYXEHCQVGXBZ-HOTGVXAUSA-N 470.555 1.503 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCC[C@@H]1NC(=O)NC1=O 1588113866 TUBSPEUCEYGKCW-INIZCTEOSA-N 485.342 1.777 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C(C)C)N1CCOCC1 1588140618 ZHVFOCUEYFQFSS-QHCPKHFHSA-N 476.629 1.882 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1588384760 ATJYLXIGPSPJFA-IAGOWNOFSA-N 484.623 1.326 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(=O)NCC)CCC2)CC1 1588864728 JNPLJQRUVPHMIY-UHFFFAOYSA-N 461.570 1.790 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(F)cc(F)c(F)c2F)CC1 1588885026 QYWYWXWJQTZODI-UHFFFAOYSA-N 480.466 1.987 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1589442838 DXXKGCPPWAAFCD-UHFFFAOYSA-N 480.411 1.054 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)(C)C)C1 1589546877 RYRGLXCHTZWILE-ZRNYENFQSA-N 497.662 1.844 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1593884075 BHRXDMAFLYJHHV-GJZGRUSLSA-N 489.023 1.706 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1594625124 DRZXRVSVLHAESN-IBGZPJMESA-N 497.666 1.551 30 10 JDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1594914060 VEFRXARNPOFTAI-HXUWFJFHSA-N 464.578 1.486 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1594963083 PQBNZWDJEGPTPO-SJORKVTESA-N 486.639 1.736 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2COCCO2)C1 1595688491 KLVAQSQTIKAADI-OALUTQOASA-N 477.587 1.392 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)c(F)c2)C1 1595729033 IHIDIZZOYYQAKK-QFBILLFUSA-N 483.541 1.719 30 10 JDEE CC1(C)COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1611799354 GFQYHOMRUUJCOU-UHFFFAOYSA-N 481.601 1.931 30 10 JDEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1613441541 FXDGSERTPKTOOO-QUCCMNQESA-N 499.641 1.288 30 10 JDEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)CC1 1615888571 DZULVCBMVRYVEY-QFIPXVFZSA-N 485.658 1.858 30 10 JDEE CCO[C@]1(c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@@H](C)COC)CCOC1 1616252444 DESGBCIHSHPQCV-WZONZLPQSA-N 455.563 1.806 30 10 JDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)c(OC)cc1OC 1661543954 GQLKOXOPGWSFPE-LLVKDONJSA-N 454.364 1.830 30 10 JDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)Cc2c(Br)cccc2OC)CC1 1667521619 PIRLMGICIQKEFD-UHFFFAOYSA-N 458.378 1.045 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC[C@@H]1NC(=O)NC1=O 1689835115 GMOHZNGQNBBGGF-HIFRSBDPSA-N 456.503 1.417 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CC(=O)NCC2CC2)c1 1689873613 PNUAOHVZLPNDNX-UHFFFAOYSA-N 474.569 1.722 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1689978343 SXTBUVKAINUCQI-HNNXBMFYSA-N 479.632 1.285 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689993888 NDAGRWWEPLNRMA-LJQANCHMSA-N 462.645 1.746 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(CN(C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1689994169 SLDLFRFUUNXHDK-JOCHJYFZSA-N 498.653 1.527 30 10 JDEE C#CCN(c1nnc(COCC)n1CCC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689996779 OCJIOQWMGCCMAR-GOSISDBHSA-N 451.593 1.280 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1690115184 WESOTQAQRJZOGN-WOJBJXKFSA-N 486.642 1.766 30 10 JDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1690169801 OTNFGJFUORGHKH-UHFFFAOYSA-N 477.641 1.915 30 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C#CCN(c1nnc(CC(C)C)n1CC[C@H](C(F)F)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705569270 AIAIAPXLVSHUSA-QZTJIDSGSA-N 473.590 1.459 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(C(=O)NCC)c1)[C@@H]1CCS(=O)(=O)C1 1705570967 TVVHJYBNEHKMJG-JOCHJYFZSA-N 492.605 1.689 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1705649786 FDOZRUXOLYBIMQ-JOCHJYFZSA-N 483.638 1.996 30 10 JDEE C=C(Cl)Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705757410 KEIUCZPSWYKHLW-UHFFFAOYSA-N 472.977 1.323 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1705792307 QOMIMKSNPDNNFU-CEWLAPEOSA-N 492.690 1.771 30 10 JDEE C=CCCCn1c(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1705824454 QKFXOYNIQFWERV-JOCHJYFZSA-N 493.634 1.449 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCOCC2)C1 1705924317 BZXQGIWRZPIISR-MSOLQXFVSA-N 453.609 1.072 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nccs2)CC1 1705930764 VJTMJJYHPVXXFH-AWEZNQCLSA-N 488.661 1.330 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1705932326 BFJSFDSEIJGXSD-PZJWPPBQSA-N 492.598 1.947 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1COCCO1 1706619312 BSEZZRPQQSFRPE-KRWDZBQOSA-N 457.510 1.169 30 10 JDEE Cc1nccn1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1707790376 FYLLPCOZVSZSKG-UHFFFAOYSA-N 468.587 1.882 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc[nH]2)n1CCC(=O)NC(C)(C)C 1708152226 ASMZHOJVUGJHJR-INIZCTEOSA-N 462.562 1.955 30 10 JDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1710980325 AAOZCUOOTRGZCS-FQEVSTJZSA-N 464.574 1.038 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)SC)c1 1722304845 JOEVLMJGIAHOOR-GJZGRUSLSA-N 464.617 1.696 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722363646 GWLVZGPFZVANCL-HSALFYBXSA-N 451.637 1.775 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)CN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1722367699 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C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1722696776 DYIIKYTZBOICJB-INIZCTEOSA-N 471.562 1.441 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCCOC2)C1 1722698341 DQJNGQNOGVHLHD-KOSHJBKYSA-N 490.605 1.896 30 10 JDEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1729180830 BNTDOIWYFZMIFH-AOMKIAJQSA-N 459.572 1.760 30 10 JDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1740564909 BRKULEIEMIPWJM-UHFFFAOYSA-N 457.623 1.744 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740616511 BZQBCHSJRAJBHE-UVELEOGVSA-N 492.573 1.724 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1CCOCC1 1740650799 NWQSFEDJKHWOGJ-UHFFFAOYSA-N 459.558 1.495 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC[S@@](=O)CC)CC1 1740706163 RZYSUOUCHIFCCW-DHUJRADRSA-N 498.657 1.187 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cn3ccccc3n2)CC1 1740868718 QUEBGBUQFRAWLC-SFHVURJKSA-N 472.619 1.824 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2CCS(=O)(=O)CC2)C1 1740972487 JCMPRNCOFHZVRP-SIKLNZKXSA-N 468.620 1.925 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(=O)NC)c2)C1 1740981518 PHZNSKWEQRMTKD-RBUKOAKNSA-N 459.572 1.369 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](OCCC)CC1 1740985995 OWRIDFPLOHBDSW-GOSISDBHSA-N 453.609 1.900 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1740991125 OYTDOJGLNRCHSZ-HOTGVXAUSA-N 482.607 1.276 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1740994994 ZPINWBBHEDWNJX-QGZVFWFLSA-N 475.571 1.278 30 10 JDEE C[C@@H](CN1CCOCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1741876689 DTUSSEWVDOJKHH-PKOBYXMFSA-N 453.547 1.009 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CC2(C(N)=O)CCOCC2)c1 1748692877 QSSQTUAQKAKGMW-FQEVSTJZSA-N 480.569 1.858 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1748803855 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FBVLKNXLFYGUTP-IBGZPJMESA-N 464.636 1.281 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(C)c2ccccc2)CC1 1749629760 CBFQUNFIGIKIPQ-HXUWFJFHSA-N 460.604 1.902 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 1749650545 AVQCZZFRSMDODC-ZHRRBRCNSA-N 474.587 1.216 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1749652688 QZHXQLFYFZMDBQ-UHFFFAOYSA-N 469.571 1.186 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1749678073 VEBVQQNCDDBPEP-QGZVFWFLSA-N 475.594 1.538 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@](O)(c3ccccc3F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749682555 VGOGTNFBUBVSIK-DNQXCXABSA-N 473.549 1.858 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C(=O)NC)cc1 1749685171 AELJGYXLHKCZKM-AEFFLSMTSA-N 461.588 1.612 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1749725090 OOLVIVODWUQROK-BTYIYWSLSA-N 465.551 1.860 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1749727395 UCOUOCQCHKUCIQ-SJLPKXTDSA-N 481.022 1.751 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCOCC1 1749730345 ANFDAXARXAFDJY-UHFFFAOYSA-N 472.571 1.673 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1749734004 CPZUMBXOWBEDFN-UHFFFAOYSA-N 464.567 1.341 30 10 JDEE COCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1749749009 ICUJNMAOVQQNPL-UHFFFAOYSA-N 450.590 1.278 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCN2CCC[C@@H]2CO)CC1 1760256817 UHKQIEVCEYXPKV-HXUWFJFHSA-N 458.010 1.986 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(NC(=O)CCC)cc2)CC1 1760268136 CZWOGJMQMMTNCJ-OAQYLSRUSA-N 491.596 1.982 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760308160 ZBFWQWCPYNCUOX-KGLIPLIRSA-N 465.356 1.613 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1760356052 FCCITYGGEFMQOP-NRFANRHFSA-N 459.639 1.817 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCOCC1 1760480891 IFBKUASSNXFSAU-FQEVSTJZSA-N 473.599 1.622 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)CCS(C)(=O)=O 1760516002 UQRVAPRVNMOSML-UHFFFAOYSA-N 459.370 1.209 30 10 JDEE C=CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760560214 QBGXAFBDJNAVSL-OALUTQOASA-N 454.600 1.886 30 10 JDEE CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NC(=O)COC)CC2)CC1 1765496950 DFFUKHJEMZGNFK-HXUWFJFHSA-N 494.644 1.574 30 10 JDEE CN(C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C1)S(C)(=O)=O 1767224884 FYSOZIOAGNYBQA-LJQANCHMSA-N 499.641 1.970 30 10 JDEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cc(C)ccc1S(C)(=O)=O 1860996151 UCYZVDNHLWBASW-FQEVSTJZSA-N 458.536 1.967 30 10 JDEE C=CCN(CC=C)C(=O)[C@@H](CCC)NC(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 1868644455 YRMOUOJORJRBSD-VQTJNVASSA-N 482.624 1.747 30 10 JDEE N#C[C@@H](c1cccs1)N1CCC(C(=O)NCC(=O)N2CCN(c3ccccn3)CC2)CC1 1868783262 PZGAYZWIJMSLOB-IBGZPJMESA-N 452.584 1.885 30 10 JDEE N#Cc1nnn(-c2ccc3cc[nH]c3c2)c1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155405 LDFZKSMZQMRBHZ-UHFFFAOYSA-N 456.378 1.763 30 10 JDEE CN(C)CCCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN1CC(O)C1 1870324707 WPVZDFJQFGBFBT-UHFFFAOYSA-N 485.610 1.416 30 10 JDEE C=CCn1c(C(=O)NCCN2CCOCC2)cc2c(N(CCO)Cc3ccccc3)ncnc21 1873594618 YBXYDOQQZIUIKQ-UHFFFAOYSA-N 464.570 1.678 30 10 JDEE C=C(I)CS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1883741944 IBXFHTVDIKBBME-GFCCVEGCSA-N 453.254 1.730 30 10 JDEE Cc1csc2ncc(C(=O)N3CCC(OCC#CCN4CCN(C(C)C)CC4)CC3)c(=O)n12 1889478530 RNRDZUADEKHOBJ-UHFFFAOYSA-N 471.627 1.715 30 10 JDEE N#Cc1cccc(S(=O)(=O)N2CCCN(c3ccc4nnc(-c5cccnc5)n4n3)CC2)c1 1890670592 ZYGUPXGQKKHXSW-UHFFFAOYSA-N 460.523 1.959 30 10 JDEE C#CC#CCNC(=O)c1cc(I)cc(I)c1O 2005759536 KSYMECFCWZBFHI-UHFFFAOYSA-N 451.001 1.968 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2180987345 NMEGKDWSPWVOHW-CBZIJGRNSA-N 484.424 1.961 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C1CS(=O)(=O)C1 2197502100 CYKQMBOBWFIMFT-QGZVFWFLSA-N 480.392 1.862 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H](CO)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2255778459 RLHCTWQIHCQXHS-AWEZNQCLSA-N 476.426 1.352 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2255953748 NGUODRHUNVZISR-UONOGXRCSA-N 474.410 1.306 30 10 JDEE C=C(CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2COC[C@H]21)B1OC(C)(C)C(C)(C)O1 2255953930 QJXCRDASZHSINW-HZPDHXFCSA-N 458.386 1.824 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256624569 XBJNXJRNOWOLEQ-KBPBESRZSA-N 453.370 1.598 30 10 JDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267002591 BYCJUVXQSSQHSU-LSDHHAIUSA-N 450.345 1.083 30 10 JDEE CC(C)(C)OC(=O)N1CC2(COC[C@H](CNC(=O)[C@@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)O2)C1 2267563310 NSHKUZODCCFCGR-ARFHVFGLSA-N 452.357 1.990 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268646887 LMEROHJWUCOMHN-SZNDQCEHSA-N 467.397 1.988 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CC[C@@]3(CNC(=O)OC(C)(C)C)C2)n1 2281945413 SEJNLXHSZBTLTR-JLCFBVMHSA-N 461.372 1.491 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C 2282005204 OIOKBCAZZLMSNB-OLZOCXBDSA-N 458.290 1.699 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@](C)(CO)C1 2282185938 NQTDVQAQDCTSHB-HSZRJFAPSA-N 461.368 1.825 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2282532761 BUFPDWQWPBRFEG-HNNXBMFYSA-N 465.331 1.886 30 10 JDEE CCn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)nc1B1OC(C)(C)C(C)(C)O1 2282541345 WSGMSPJXZZAVKA-GOEBONIOSA-N 464.372 1.302 30 10 JDEE COC1(CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nn(C)c2C)CN(C(=O)OC(C)(C)C)C1 2282595887 ZXZLNOWTPZIFFL-UHFFFAOYSA-N 464.372 1.393 30 10 JDEE C[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)N1CCN(C(=O)OC(C)(C)C)CC1=O 2284068570 FXFMSYBQCHDALO-CYBMUJFWSA-N 480.396 1.849 30 10 JDEE Cc1c(C(=O)N(CCNC(=O)OC(C)(C)C)C[C@H](C)O)c(B2OC(C)(C)C(C)(C)O2)nn1C 2285399003 XNDZANOYFWKSLW-AWEZNQCLSA-N 466.388 1.375 30 10 JDEE CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)O 2289796047 KKFOICDNQCLQAZ-ZDUSSCGKSA-N 466.344 1.587 30 10 JDEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C 2339942787 LKHOLYHHCXIHJV-AWEZNQCLSA-N 452.361 1.297 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2360584075 MBPQBVVETCKZLH-KRWDZBQOSA-N 482.408 1.540 30 10 JDEE Cc1cccc(C)c1NC(=S)NN=C1C(=O)N(C)c2ccc(S(=O)(=O)N3CCOCC3)cc21 254862243 RBSVHSAYVCSWPP-UHFFFAOYSA-N 487.607 1.991 30 10 JDEE CON[N+](=O)CC(=O)N1[C@H](C)CN(S(=O)(=O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 585088944 OLFDXPSRTRRZIF-KUHUBIRLSA-N 464.480 1.360 30 10 JDEE C=CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C(=O)NC[C@@H]1C(=O)O 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C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1286394136 UUPYGUVKYCOGRL-YADHBBJMSA-N 499.637 1.785 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncn(C)n1 1286522885 PJWRULHEALUQTG-KSFYIVLOSA-N 456.551 1.755 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)OC)CC1 1286553670 FMDAXXCFVMBNIY-KSZLIROESA-N 452.577 1.551 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C(N)=O)C1 1286555023 WATGJALMFKTQDZ-NSHGMRRFSA-N 488.614 1.488 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1286601987 ZOUTXNADTKLEFE-QGZVFWFLSA-N 474.591 1.074 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccc(F)cc1 1286726582 GFSATRUYKRQRAC-GOSISDBHSA-N 453.540 1.841 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1286791685 ZETKKWIIELOGAO-UHFFFAOYSA-N 470.603 1.170 30 10 JDEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C1 1299350156 HAOILWMIUUKQEU-QGZVFWFLSA-N 461.544 1.553 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1300482243 DTDMNUSCWVVVRW-IBGZPJMESA-N 481.538 1.821 30 10 JDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCN(c2ccncc2)CC1 1300597361 FUWODMGSBKBRJQ-UHFFFAOYSA-N 473.585 1.992 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(OC)ccc1OC 1300631132 LTZPMAUKFXWNOF-LJQANCHMSA-N 463.560 1.136 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccc3[nH]ccc23)CC1 1300682830 KDYHNGIYCMQTKB-KRWDZBQOSA-N 455.588 1.368 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)N2CCC(C)CC2)CC1 1300728937 KPRXZANHAKYGCW-HXUWFJFHSA-N 469.634 1.487 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCC[C@@H]2OC)CC1 1300731938 IYECUGUEAABBAE-ANULTFPQSA-N 459.591 1.783 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1300951995 CUAKLRMBJIYEHG-KRWDZBQOSA-N 473.559 1.472 30 10 JDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1301206775 LCJPPTGAYTWTJF-IBGZPJMESA-N 476.603 1.503 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3cc(F)ccc3F)CC2)nnc1[C@]1(OCC)CCOC1 1301517823 CIQALAUCMHWHLC-QHCPKHFHSA-N 476.528 1.837 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1301537437 ARLGDGUSEHVKDL-DRSNIGMVSA-N 480.562 1.888 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)N2CCC[C@H](C)C2)C1 1301556324 HCSZQKYEUHNRFW-BURNTYAHSA-N 496.678 1.513 30 10 JDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1305626604 DKPXYSTZWHHEDP-LJQANCHMSA-N 494.600 1.696 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCN2CCCS2(=O)=O)cc1 1316530399 IBDKTALTGAWJKT-INIZCTEOSA-N 470.477 1.620 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=C)Br)c1 1358901633 RIFHUTOLXLNZFE-AWEZNQCLSA-N 495.403 1.853 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCn1cc(CO)nn1)[C@H]1CCS(=O)(=O)C1 1358959554 LFUNRAVNMOHEMQ-KRWDZBQOSA-N 489.989 1.399 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1358963081 BJZIXCWUNQKUCD-ZWKOTPCHSA-N 498.577 1.793 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1358964649 CVIDSIQDHOOWQH-FUHWJXTLSA-N 458.613 1.895 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1358976832 SNASQZBLEJMOTC-RBUKOAKNSA-N 460.538 1.678 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](C)CN2CCCC2)CC1 1359031659 KPQBKHZQJCUDMZ-NRFANRHFSA-N 499.685 1.683 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2(C(N)=O)CCOCC2)CC1 1359033262 VUBOCCZVBCKMJD-UHFFFAOYSA-N 482.585 1.390 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2(C)COCCO2)CC1 1359045465 IPTVONLMQVUJPL-DEOSSOPVSA-N 455.534 1.779 30 10 JDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1359054769 GTLFHVNHZIXUAS-IBGZPJMESA-N 490.655 1.646 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359105680 SOTPLEHEUDWEBB-XQBPLPMBSA-N 483.635 1.382 30 10 JDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359182364 DHXLVFBHHYKWQR-UHFFFAOYSA-N 459.595 1.290 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ncccc2F)CC1 1359203567 RBGBEDFDCOMCKP-IBGZPJMESA-N 493.609 1.828 30 10 JDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC(NS(C)(=O)=O)CC1 1359225708 IPQIDWYQDXMUOW-UHFFFAOYSA-N 466.564 1.117 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Cl)cc2C1 1359292261 LSJKYCVMMQJLGM-CYBMUJFWSA-N 452.968 1.407 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)OC(C)(C)C1 1359298181 QBOJVWNKXXILMU-OAHLLOKOSA-N 461.592 1.544 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1359300010 RLIVOSKZIWNIAF-OAHLLOKOSA-N 458.485 1.717 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1359333573 CAINPAMXDRXNAV-SFHVURJKSA-N 461.617 1.411 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(O)cc2)CC1 1359333796 KECONCLAHPVGCK-UHFFFAOYSA-N 468.583 1.897 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)c1ccccc1 1359473624 FRNTVMFOGUTBKP-DLBZAZTESA-N 465.601 1.640 30 10 JDEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1503767520 BKXNHJKXNMQSKU-FQEVSTJZSA-N 486.598 1.658 30 10 JDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCN2S(C)(=O)=O)cc1OC 1504202525 HZBYMXJEWCWIEO-IAGOWNOFSA-N 476.559 1.115 30 10 JDEE COCC[C@](C)(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1504750403 GBLXKEVXIUNUOM-UWJYYQICSA-N 462.938 1.378 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC2(CS(C)(=O)=O)CC2)c1 1507550600 MWXQCTRICXQNIU-SFHVURJKSA-N 471.583 1.663 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccccc1Cn1cccn1)[C@@H]1CCS(=O)(=O)C1 1507637746 MUWFJIGPDQUGKQ-OAQYLSRUSA-N 468.583 1.734 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1507638588 GNCMHKGXDJSESJ-IBGZPJMESA-N 472.546 1.888 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(C)CN(C)C1=O 1507642026 NYMXRAWUNOIONH-QFIPXVFZSA-N 453.572 1.098 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1CCS(=O)(=O)CC1 1507643621 PKIMDRVHRQGKAW-UHFFFAOYSA-N 472.567 1.869 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1507721099 YGPCEKJDLPAIHB-RUZDIDTESA-N 484.576 1.563 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCC(=O)N(C)C)CC1 1507735673 DUZWEVSEVMBGLH-DEOSSOPVSA-N 474.606 1.153 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1507739177 NYNPXFVSBGXKDB-IFMALSPDSA-N 496.587 1.969 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@]2(C)COCCO2)CC1 1507739192 AOBBCINKZZWUIK-SANMLTNESA-N 481.597 1.843 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(Cl)ccn1 1507751839 RXBGTOQHALVQGZ-KRWDZBQOSA-N 485.035 1.662 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CN1CCCC1 1507821105 UINQIYSJJMJJFO-OALUTQOASA-N 454.641 1.745 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1508084155 IZINJSYJXZTFAX-UHFFFAOYSA-N 459.554 1.837 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(OCC(N)=O)CC1 1508095875 YEHHXDLPMHWWQG-UHFFFAOYSA-N 451.531 1.123 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCOC2)C1 1508162317 QFDRVCSISVHBNM-LPHOPBHVSA-N 457.622 1.147 30 10 JDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CCN1CCOC 1514127186 DJAYREXJSTVODO-OAQYLSRUSA-N 451.575 1.890 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1516846847 HOXUABKPYSXHBQ-HNNXBMFYSA-N 485.536 1.829 30 10 JDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 1520860796 FHKXRXGHTIWUOB-INIZCTEOSA-N 451.520 1.493 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2(C(=O)NCC)CCC2)c1 1539042530 HMIFOCWHDOEKBH-IBGZPJMESA-N 477.569 1.592 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1539212626 WPUXTLZVBAPQFC-CVEARBPZSA-N 452.964 1.887 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1539219318 IUIJEOZCTZZHAD-KRWDZBQOSA-N 459.963 1.326 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)CC 1539325140 CIIFUYDYSKIKON-SFHVURJKSA-N 458.563 1.528 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1539368746 BLEAKJLEPVYNPO-HOTGVXAUSA-N 463.526 1.293 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCC(F)F)CC1 1539447513 TVSDFJYCQSSODP-QGZVFWFLSA-N 480.541 1.023 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c(C)coc2C)CC1 1539482555 VCEANUCLRYBHNM-SFHVURJKSA-N 459.572 1.404 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(c2ccccc2)CC1 1539704940 KKGPXOYYFVTMDU-LJQANCHMSA-N 461.588 1.675 30 10 JDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1539872104 ZTNYANJKSUUTRV-GOSISDBHSA-N 453.547 1.823 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2CCN(Cc3ccccc3)[C@@H]21 1540862250 WMVISNPBOCAMJR-AUSIDOKSSA-N 451.575 1.777 30 10 JDEE CS(=O)(=O)Cc1cccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1555800954 AXKMNAMBASCDMZ-OAQYLSRUSA-N 460.535 1.435 30 10 JDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCc4ccc(C#N)cc43)CC2)cc1 1559720052 GDZOXSAPNCJBBF-UHFFFAOYSA-N 452.536 1.656 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)c1 1561442324 HCDFVELTTYFZPE-UHFFFAOYSA-N 453.524 1.625 30 10 JDEE COCCN(CCC#N)C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1584832131 HIBYZCXCFMUKNX-UHFFFAOYSA-N 450.517 1.158 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCc2nnc(C)s2)c1 1587684595 ZVDOBBUWJUHRQL-UHFFFAOYSA-N 466.571 1.875 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCN(CC(F)(F)F)CC1 1587990099 RWKOKZXLANREQU-QGZVFWFLSA-N 492.568 1.345 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1588029232 FEQPLYYESQAEDB-LJQANCHMSA-N 494.577 1.999 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CC(F)(F)C1(OC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588064256 DWFAGRRWNMLJSQ-QGZVFWFLSA-N 472.558 1.688 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588065368 XPOULYLHLUHIJN-HXUWFJFHSA-N 470.599 1.293 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)CC 1588139528 OLWYXEGHJQISIP-UHFFFAOYSA-N 463.604 1.900 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1NC(=O)CC1(C)C 1588398935 KTJKXIOVRHLWLV-DLBZAZTESA-N 460.579 1.961 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)Oc2ccccc2F)CC1 1588741698 GZSLTVNWTFGCQD-IAGOWNOFSA-N 464.567 1.250 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCS(C)(=O)=O)CC1 1588954122 AIDDSPUAXWKELH-UHFFFAOYSA-N 468.583 1.361 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1593636551 NMEWWKWUQIMHEF-GOSISDBHSA-N 484.623 1.492 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1595490269 OGPKITWNVSOTAM-QGZVFWFLSA-N 481.582 1.630 30 10 JDEE CS(=O)(=O)c1ccc(=O)n(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)c1 1613808060 CRHOEDMWZRXQHZ-OAHLLOKOSA-N 458.540 1.621 30 10 JDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nnc2n1CC[C@@H](C(F)(F)F)C2 1638218526 GLAQMAHGQIFZEO-DGCLKSJQSA-N 456.450 1.258 30 10 JDEE C#CCn1cc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)cn1 1664952790 LWERLBJLBQOSGY-IRXDYDNUSA-N 450.586 1.661 30 10 JDEE C#CCN(c1nnc(C2CC2)n1C[C@H](C(CC)CC)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689987993 HHOFFDKBEXQCEA-LEWJYISDSA-N 463.648 1.919 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1690006732 YPONGMZHUPZOEH-CVDCTZTESA-N 454.552 1.760 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCC(C)(C)C)CC1 1690175400 WQVKPSBOTNEDNM-LJQANCHMSA-N 498.719 1.536 30 10 JDEE C=CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690493358 GCWBKBWGBAUTQU-UHFFFAOYSA-N 468.558 1.759 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(C)cc2C1 1690723325 OAYWACNITSCSIZ-SFHVURJKSA-N 459.572 1.710 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCCN(C(=O)C(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690731571 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C=C(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1)C(=O)OC 1132197305 PWWKQWNQEJQYFJ-HNNXBMFYSA-N 456.517 1.481 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCOCC2)c1 1150739753 WZTJNIGDRUXBGT-UHFFFAOYSA-N 453.561 1.955 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3cccc4c3OCCCO4)CC2)cc1 1230199449 AKLAVEGDIQWRIF-UHFFFAOYSA-N 456.524 1.936 30 10 JDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1279985482 WZOCGKDUEVPYRF-GOSISDBHSA-N 451.568 1.274 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286396581 QREQYFUUUXWQQZ-GOSISDBHSA-N 478.546 1.164 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1OC 1286408260 BAPKFTMTVMQUSL-GHTZIAJQSA-N 487.582 1.160 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1Cc1nnn(C)n1 1286461509 ZDDAZDSTPACSEH-UHFFFAOYSA-N 461.324 1.374 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1286489725 DSZZRLOMNBVSOF-FQEVSTJZSA-N 464.618 1.332 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1286493332 NQKONEKFZZVOQH-IBGZPJMESA-N 483.569 1.822 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](N1CCOCC1)C(F)(F)F 1286516348 GETGWFSYQNLHPZ-RVKKMQEKSA-N 478.541 1.144 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(Cn2cncn2)CC1 1286770514 NNUYOSWYVZTBGW-UHFFFAOYSA-N 456.576 1.890 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1286784406 GREHRBKWTDXRJA-MRXNPFEDSA-N 466.521 1.784 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286791993 JKQPFBSTKVLLHH-RXVVDRJESA-N 499.591 1.287 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2CCOC[C@H]2C1 1286823772 QVSDDTVHJXTMSY-HXUWFJFHSA-N 475.615 1.596 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1300488015 AANGDNJQHKMJIN-HOTGVXAUSA-N 451.936 1.036 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300501669 MVSYTNMDBRRQMJ-LJQANCHMSA-N 464.636 1.146 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(COC)CCOCC1 1300569406 JQVVJDZNUFRZRO-UHFFFAOYSA-N 460.542 1.827 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1300712145 NFNQGCJPDULUQH-WSTZPKSXSA-N 494.662 1.449 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)CN2CCOCC2)CC1 1300725850 FFWMSMRUMRNZET-FQEVSTJZSA-N 482.604 1.942 30 10 JDEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CCOC)CC1 1300756399 LIKYQOVSMYUFLL-UHFFFAOYSA-N 481.626 1.810 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1300975274 SLTAADNEVWFDIU-KRWDZBQOSA-N 476.603 1.455 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1300991077 PBPBLRPHIUNBCL-LJQANCHMSA-N 488.614 1.198 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC(=O)N1CCOCC1 1301480685 CZFGEAVAIRPRBT-MRXNPFEDSA-N 476.965 1.669 30 10 JDEE Cc1nccnc1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1304716925 DWCQATMLWOIQNL-UHFFFAOYSA-N 452.544 1.240 30 10 JDEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CC1 1305643454 HLJVJATZJOVOPB-KBMIEXCESA-N 481.601 1.659 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCN(c4ccccc4C#N)CC3)n2CC(F)(F)F)C1 1316354287 FZLYMMFWPFTFAL-QGZVFWFLSA-N 499.519 1.372 30 10 JDEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC(F)(F)F)nc2)CCO1 1316539923 HRNMNCPPIUXLMS-CABCVRRESA-N 486.476 1.293 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCC(=O)N2CCOCC2)c1 1358902390 MPEDOACHTVSMFZ-OAQYLSRUSA-N 480.569 1.825 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(SCC)c1 1358948483 DBEUVQGMXVOGLK-INIZCTEOSA-N 450.590 1.236 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358955397 LDVIRQIRLNVVQU-OKZBNKHCSA-N 472.571 1.225 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1358959597 MAFWVNFCBKOGPO-OAHLLOKOSA-N 459.963 1.885 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1358965614 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GOHZXWXEAXMKLB-DLBZAZTESA-N 467.412 1.970 30 10 JDEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1359142367 GGKOQBGJHVAGJV-OAHLLOKOSA-N 475.916 1.645 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1359300482 CPBZDSKRKCEOSW-RCCFBDPRSA-N 480.635 1.004 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCOCC1 1359327925 OHAGHHTVLAQLRJ-UHFFFAOYSA-N 452.533 1.408 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(F)F 1359473534 DLPFHJFHSAUPOR-PBHICJAKSA-N 484.529 1.857 30 10 JDEE C#CCn1cc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)cn1 1448875205 IVQDKFORTOTYDE-GOSISDBHSA-N 457.556 1.216 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)C2CCN(S(=O)(=O)CC)CC2)c1 1468665840 ANMJBCDVFIVXKQ-INIZCTEOSA-N 457.618 1.673 30 10 JDEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1 1505129741 HRVPZXAHOFTAIV-UHFFFAOYSA-N 452.544 1.368 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(COCC)cc1 1507536619 DAXDQZSWIKORPL-YLJYHZDGSA-N 461.588 1.654 30 10 JDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1507557374 LDGWPDPLNCJHFK-QHCPKHFHSA-N 470.599 1.715 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2cc(F)ccc12 1507617622 XIOBKKBGWYGNOV-IBGZPJMESA-N 460.535 1.544 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCOc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1507623528 UAHGDCIGYMXVOV-HNNXBMFYSA-N 497.980 1.915 30 10 JDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1507657344 PUWMJFWPDJFJAG-QHCPKHFHSA-N 460.582 1.855 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc([C@H](C)OC)n1 1507689737 MLYIZWSWBUUXSB-HOCLYGCPSA-N 468.605 1.283 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2OCC=C)CC1 1507737499 AMBQERLCRNFJNJ-FQEVSTJZSA-N 462.554 1.808 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(OC)c2)CC1 1507739583 RWPUHYGOOKZTIY-IBGZPJMESA-N 471.583 1.203 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](CNC(C)=O)C1 1507806310 HBCQHZIDRGXHDW-WHZJULEDSA-N 463.579 1.325 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)C1CC1 1507994321 ZLCROGDRGOMUSW-NSHGMRRFSA-N 496.678 1.654 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1508074344 PZVSCPKASZOFPZ-AWEZNQCLSA-N 453.952 1.533 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1508134313 CRCDJZGIIKHPPG-HXOBKFHXSA-N 492.598 1.947 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CCCCO1 1508140671 PGUHZKAKNAKNNC-KRWDZBQOSA-N 486.598 1.798 30 10 JDEE CC(C)(C)c1csc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)n1 1508479953 FDLQLVPSEUAVBI-HUUCEWRRSA-N 464.617 1.906 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CC[C@H]3CCO[C@H](C)C3)CC2)c1C#N 1511663007 CNZGDGIWWZQIEI-MJGOQNOKSA-N 483.621 1.862 30 10 JDEE CC(C)[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1512364682 DZOMDGRZMYHSNE-UZUQRXQVSA-N 467.578 1.184 30 10 JDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1515285810 FKXDWPIZBPUODV-UHFFFAOYSA-N 491.556 1.352 30 10 JDEE CO[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1517770549 BFOUAJBWUJTPNT-AHRSYUTCSA-N 490.586 1.095 30 10 JDEE COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)c(OC)c1 1518280176 CFUZPSBRTLTYKS-WIYYLYMNSA-N 494.549 1.118 30 10 JDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1539147544 BVEVERQJHLCNGP-CVEARBPZSA-N 454.597 1.605 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)N1CCc2ccccc2C1 1539179897 TWOLJUMVFIFSAG-FGZHOGPDSA-N 486.642 1.517 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1539212500 PIUMOFXENGJGAF-FQEVSTJZSA-N 462.535 1.895 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1539224510 HTDWQVFIZASWRF-IBGZPJMESA-N 452.540 1.343 30 10 JDEE C=C(Br)Cn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539607619 JJALFRGWEOIWTA-OAHLLOKOSA-N 475.347 1.221 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(C)cc2)CC1 1539803217 HGZDWJOATSHNLL-IBGZPJMESA-N 481.022 1.999 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C(C)C)C1 1540864804 LLULTKOSOVAYFE-LJQANCHMSA-N 476.603 1.359 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1540867542 ZJDMQJXRRYFRLY-SFHVURJKSA-N 468.558 1.856 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1540874307 BGEIZSSBZBGMGR-UHFFFAOYSA-N 481.601 1.212 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)N1CCOCC1 1540879554 HLRDHUYHEAXHBM-UHFFFAOYSA-N 456.547 1.324 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(=O)N(C)C)CC1 1540897157 BZAWBMXPLYKWMZ-UHFFFAOYSA-N 489.602 1.221 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1540905143 TWXSPTYBZKWNOI-UHFFFAOYSA-N 468.587 1.290 30 10 JDEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(SCC(C)C)c([N+](=O)[O-])c1)[C@@H]1CCCO1 1556271648 FEUIZPLNXGHYRF-WBVHZDCISA-N 455.558 1.918 30 10 JDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCS(=O)(=O)NC[C@@H]3CCCCO3)n[nH]2)c1C 1565773073 CHYGUXDDPJCZGG-INIZCTEOSA-N 450.565 1.294 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N1CCN(CC)CC1 1587614245 GSQUDBFTPMFKTO-RTBURBONSA-N 472.663 1.722 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CCOCC1 1587638982 IOAYGGPMMMSPKU-PZJWPPBQSA-N 487.626 1.817 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588045070 GPCFSFJYRAJKRW-SJORKVTESA-N 474.587 1.880 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1595405061 AIGNIXKCGWDJAE-RTBURBONSA-N 462.595 1.931 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1595544522 JHIVMZCRAPKATK-QGZVFWFLSA-N 455.519 1.709 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1595556112 OGUMDVRYWPNZSH-UHFFFAOYSA-N 492.584 1.537 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1595602021 DBSLADKSHIUAHZ-DWRORGKVSA-N 478.594 1.654 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1595766294 NWTUITLDXAOPIS-KRWDZBQOSA-N 492.989 1.672 30 10 JDEE CC(C)OCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1611064881 IBDOILXAQADATJ-UHFFFAOYSA-N 461.530 1.944 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCN(C)CC(F)(F)F 1611684028 DWKZSIJXYPDECS-CQSZACIVSA-N 465.546 1.903 30 10 JDEE CCOC1CC(O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)C1 1616574671 GWQAUYHKUDKWBC-PGFLUOATSA-N 459.572 1.618 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1617385971 HJFIWLOCTVRHOU-BBRMVZONSA-N 472.493 1.912 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC[C@@H]2CCCCO2)C1 1620170374 AQUHQUDNWWIDEC-ABSDTBQOSA-N 470.571 1.402 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)c2ccc(I)cc2)CC1 1628147130 XKSZXUZUDLBZCC-OAHLLOKOSA-N 453.324 1.678 30 10 JDEE C#CCN1CCC[C@@H](NC(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 1634555176 RSDAQKHVTCPVIT-GOSISDBHSA-N 455.584 1.370 30 10 JDEE C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1638375268 GIXCLRSSBRUZBY-FZKQIMNGSA-N 459.553 1.364 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@](C)(Cn2cnc3ccccc32)C(=O)OC)cc1 1647885783 ZJWPMUYYWRSQHU-JOCHJYFZSA-N 456.524 1.862 30 10 JDEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 1656665647 BDLPQPPFMQJNJD-UHFFFAOYSA-N 455.378 1.815 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)COCC2 1689853712 XNZQUFZYCGOWPJ-UZLBHIALSA-N 459.572 1.190 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1689982250 JZQXMHLUOSLXLE-XMSQKQJNSA-N 460.556 1.311 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1689982276 KIMDLZXXYYHTFY-LJQANCHMSA-N 469.527 1.745 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1689982365 LKINEMUVBKCHDC-HRAATJIYSA-N 459.528 1.070 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OCCC)nc1)[C@H]1CCS(=O)(=O)C1 1689991077 VNOGFMCYGSHBPI-OALUTQOASA-N 459.572 1.641 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1689996631 LEFMBZPTCVHYRW-KRWDZBQOSA-N 463.535 1.101 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1690150351 DPEHCEYUDKOVGA-LJQANCHMSA-N 461.632 1.801 30 10 JDEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1690172935 RPGOVQSPBJUESM-GOSISDBHSA-N 492.646 1.710 30 10 JDEE C=C(Br)Cn1c(N(C)CCN2CCOCC2)nnc1[C@]1(OC(C)C)CCOC1 1690233687 OORNFRZDOFLLFF-IBGZPJMESA-N 458.401 1.996 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)=O)CC1 1690303374 XRRIDODNSMTOML-UHFFFAOYSA-N 476.603 1.457 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C(C)C)N2CCOCC2)CC1 1690397024 SWFPNPSZLLKJLH-IEBWSBKVSA-N 454.641 1.648 30 10 JDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690452140 XXKDCWYTTQYGBP-IAGOWNOFSA-N 454.597 1.072 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1690663482 YCXRISILCJCVOX-UHFFFAOYSA-N 481.601 1.390 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3nccc(C(C)C)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690678009 IARLJWYKGNFFHA-RUZDIDTESA-N 498.632 1.861 30 10 JDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOCC1)S(C)(=O)=O 1691015625 DOTZRKRFLKHLOA-MSOLQXFVSA-N 460.604 1.797 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1N1CCOCC1 1705477939 UKUVZRZOIUDFPS-CVEARBPZSA-N 464.567 1.370 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC1CC1 1705551158 HXNCYAARLFRTIJ-HXUWFJFHSA-N 459.572 1.518 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1705560422 KQROGVVRJHSDFA-GOSISDBHSA-N 465.539 1.304 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(Br)cc1 1705574160 WQMACCKHJRFDSK-HNNXBMFYSA-N 464.389 1.966 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@]2(O)CCO[C@@H]2C)n1 1705631401 CPCOGKUWZHBAIJ-WZONZLPQSA-N 451.531 1.363 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCOC)CC1 1705700882 ZTLHIPDGOWOZRB-BJLQDIEVSA-N 468.620 1.793 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1705903997 BKBRJCUFXQOFAQ-NRFANRHFSA-N 497.625 1.066 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1705906978 WLKCDMNGZVRMQT-SFHVURJKSA-N 472.565 1.988 30 10 JDEE CC(C)OCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1706710315 HPYQAGCHRGCPDY-NTKDMRAZSA-N 454.575 1.904 30 10 JDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1709999873 HUPWEOMFBYDJNJ-UHFFFAOYSA-N 487.630 1.242 30 10 JDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1722335926 QOWNTGXPRYPMSV-GOSISDBHSA-N 455.588 1.696 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1722364651 IUPMYKWABBAVGQ-SJORKVTESA-N 480.537 1.579 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(Cl)cccc1OC)[C@@H]1CCS(=O)(=O)C1 1722367646 NLGAGPODHKDFET-PBHICJAKSA-N 477.974 1.566 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1722369539 AQDCLMBLIZRDOS-LJQANCHMSA-N 484.582 1.583 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)N1CCOCC1 1722402277 TVUXNOKCHJITBF-IBGZPJMESA-N 470.574 1.672 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(O)CCN(C)C2)CC1 1722450095 XGPSEDOYULHZCQ-VWLOTQADSA-N 466.586 1.198 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1722466542 YSDWGGACDVGALZ-DHIUTWEWSA-N 471.583 1.689 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(=O)NCC(F)(F)F)C1 1722722187 NKAGYHCXQGADHE-INIZCTEOSA-N 463.464 1.976 30 10 JDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1COCCO1)C1CCN(S(C)(=O)=O)CC1 1729350638 DDTSMVVSQKJFMK-LJQANCHMSA-N 460.560 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30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1740820333 YZJOJGRGFORZHP-INIZCTEOSA-N 450.586 1.940 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740899070 FLWKZACFOVQKDX-BBWFWOEESA-N 457.622 1.007 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1740963611 QOTKJBOOQVFRPE-UHFFFAOYSA-N 483.536 1.624 30 10 JDEE CC(C)NC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1741700937 HHGBOCBIITYXCB-OALUTQOASA-N 472.571 1.154 30 10 JDEE CCC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1745175356 GXRYOHDTTDJHQL-KNQAVFIVSA-N 476.603 1.670 30 10 JDEE CN(CCC(F)(F)F)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1747882397 FZLAGHUTLWAYSK-UHFFFAOYSA-N 452.437 1.976 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc2ccccc2[nH]1 1748857496 ASRUMQOJLJKUDB-NRFANRHFSA-N 466.567 1.408 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCNS(=O)(=O)Cc2ccon2)CC1 1748984755 ZTNUIBKTTQLSTE-UHFFFAOYSA-N 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461.632 1.972 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1300743418 PHMUHPBCFRPBNO-QGZVFWFLSA-N 468.626 1.338 30 10 JDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NC(=O)COC)CC1 1300743650 WVVZRKQLZRJHCV-UHFFFAOYSA-N 458.544 1.951 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1300743689 XXINGRQFSSVAMK-KRWDZBQOSA-N 474.612 1.271 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1300848206 BSNHODDDEQESRB-CABCVRRESA-N 460.398 1.393 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC2(CC2)C1 1301151523 NIQVIPYUQMFAGW-KRWDZBQOSA-N 453.609 1.830 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](COC(C)C)C1 1301502219 CXHQYBDLAFXBOP-YLJYHZDGSA-N 457.531 1.723 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1301578466 BJEVVNODFGKQOS-UHFFFAOYSA-N 486.602 1.779 30 10 JDEE C=CCNC(=O)c1ccc(NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)cc1 1358124168 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C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1359203305 MXFONOAVABVWGC-KRWDZBQOSA-N 450.565 1.778 30 10 JDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1359230990 KYUBWTHUIXAHNO-QUCCMNQESA-N 462.620 1.892 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(-c2ccccc2)no1 1359240498 PSYGKMOYNLQAIF-LJQANCHMSA-N 458.544 1.937 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CC(C)(C)CN1CCOCC1 1359298642 HQZPGIGMFNIASE-UHFFFAOYSA-N 473.578 1.103 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1359332129 PXERKLAIHGFGTR-OALUTQOASA-N 467.636 1.462 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1507633728 VESMYGDKQGGNBE-OALUTQOASA-N 474.583 1.886 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1507640105 PJJUTEQTAHWWGB-FQEVSTJZSA-N 457.600 1.605 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(NC(C)=O)CC1 1507752269 VIGPUIVXJVAXDN-UHFFFAOYSA-N 465.583 1.663 30 10 JDEE 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C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1705551152 HWNSQIGSRMDMGP-GOEBONIOSA-N 464.617 1.310 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCC[C@@H](C)C1 1705612434 GWCMSZXWEYNBDR-QYZOEREBSA-N 452.625 1.191 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC2CCN(CC)CC2)CC1 1705632365 NQVXODORWINGOD-UHFFFAOYSA-N 450.591 1.803 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H]2CCC[C@@H]2N2CCCS2(=O)=O)CC1 1705644065 GGERGRBTMUEUSO-UXHICEINSA-N 476.647 1.572 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1705687686 ICFWKSKVOGDSNA-HUUCEWRRSA-N 475.409 1.863 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1705725892 WXIVFQJPDCBKLX-FQEVSTJZSA-N 488.614 1.540 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1705792368 RUDAEAFRKWIDJG-ROUUACIJSA-N 478.663 1.572 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccn(-c2ccc(F)cc2)n1 1705843973 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C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1722371093 HBVGIZIYIXMBPK-FQEVSTJZSA-N 482.610 1.680 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCNC(=O)C2CC2)CC1 1722433642 CUSBVPMFOUFWEY-UHFFFAOYSA-N 468.558 1.252 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC2(S(C)(=O)=O)CC2)CC1 1722448557 DTAOZVQKAGJDDI-UHFFFAOYSA-N 461.613 1.473 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722492513 BSUIBFSTZOTTIC-PKOBYXMFSA-N 480.635 1.356 30 10 JDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 1722518494 NNWWUVRUWSRTOH-QGZVFWFLSA-N 458.567 1.893 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCn2ccnc2C1 1722672031 IRBJLIBYCGYFRT-ROUUACIJSA-N 461.592 1.249 30 10 JDEE C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722701187 JADPJUFWDVIPHT-GOSISDBHSA-N 487.992 1.768 30 10 JDEE COc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1CCN1CCN(C(C)=O)CC1 1730314909 BDJQINFLDWMXPE-GOSISDBHSA-N 455.563 1.626 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OCC 1740549289 DWEBBAPSTJLJII-YLJYHZDGSA-N 461.588 1.824 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1740580600 DAQNHTOMEYLLKI-GOSISDBHSA-N 464.636 1.777 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCC(=O)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740621323 LPOKWLOQVHUAER-LJQANCHMSA-N 464.551 1.996 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1OCCCC)[C@H]1CCS(=O)(=O)C1 1740622256 BHKJZXCDZCBYLB-RBUKOAKNSA-N 486.598 1.478 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1740623175 PNHGSLMQSURSHA-GOSISDBHSA-N 482.566 1.817 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCN1CCCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740625375 NMGNSQFQLBFFFG-IRLDBZIGSA-N 486.642 1.392 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1740627541 IFDLHIFGTZWFDY-RTWAWAEBSA-N 488.610 1.852 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1F 1740671398 GLTNFSVQOFLOFX-QGZVFWFLSA-N 453.515 1.591 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2nncn2C)CC1 1740701533 KSQHCYQOKYDCCC-UHFFFAOYSA-N 492.584 1.884 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nc(C)no2)CC1 1740708741 AMEXKSOQCDURSU-ZDUSSCGKSA-N 453.594 1.330 30 10 JDEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1740789085 DYVMSSVISZZCQJ-UHFFFAOYSA-N 489.602 1.992 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)NCC(F)F)C1 1740974581 NZXDJDZUNJUNFZ-HNNXBMFYSA-N 469.514 1.511 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1740991839 GHOFDALGHXKIGB-JKSUJKDBSA-N 453.590 1.726 30 10 JDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1 1741136707 BSFARPBVQGHTFL-JKSUJKDBSA-N 479.628 1.899 30 10 JDEE CCC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1745261115 AQABNHCZMQMCKF-IBGZPJMESA-N 452.563 1.922 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1748732144 UEZMTZZCYQPQOD-GOSISDBHSA-N 474.587 1.761 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(F)cc2F)CC1 1748790056 DWGINLYGCXFGLA-GOSISDBHSA-N 465.526 1.690 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C(=O)NCC)cc1)[C@@H]1CCS(=O)(=O)C1 1748812185 RPGMXHOPEHBERD-LJQANCHMSA-N 466.567 1.698 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(OC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1748821265 NTHBSEACRUWSGV-QGZVFWFLSA-N 492.001 1.738 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2c(C)noc2C)CC1 1748989973 SFGLKVOJOBLCGB-HXUWFJFHSA-N 485.589 1.995 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](CC)N2CCCC2)CC1 1749015989 VPONGUBYKSRLQO-QFIPXVFZSA-N 466.634 1.980 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2nncn2C)CC1 1749019476 VTPMSJWBNBNMGP-UHFFFAOYSA-N 464.530 1.008 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCSC 1749129275 BYDDALAVEQJUHN-SQNIBIBYSA-N 473.665 1.782 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CNS(C)(=O)=O)CC1 1749136330 MBCRUNRAMMOKQX-RXVVDRJESA-N 480.635 1.147 30 10 JDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(NC(C)=O)CC1 1749219969 YWDSTIFZDCYUTB-UHFFFAOYSA-N 451.535 1.618 30 10 JDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1749605544 ARDUSAZTMUROKQ-DEOSSOPVSA-N 467.574 1.005 30 10 JDEE C=CCn1c(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749646667 WLZOHHYBOPWBTC-NRFANRHFSA-N 479.607 1.058 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1749670491 UKPFHCNDFVCGLD-ICSRJNTNSA-N 454.575 1.976 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1749725857 VUZVTSXLOODYMV-BQFCYCMXSA-N 477.562 1.873 30 10 JDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1)N(C)C 1751149100 GGRSYUPIGMPGPS-WIYYLYMNSA-N 450.547 1.781 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCn3cc(Br)cn3)CC2)c1C#N 1751827512 FBPBMIXSKGJNIV-UHFFFAOYSA-N 459.356 1.486 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1760182699 LHEVGPPVZKFFGA-SFHVURJKSA-N 476.603 1.671 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCC(=O)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760189591 JURJGACWZBVUKN-OAQYLSRUSA-N 478.578 1.919 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1CCCC 1760220187 XCSWILWTKZOIGW-YADHBBJMSA-N 490.674 1.729 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC)c(F)c2)CC1 1760265196 RDRMBAGDZVITAD-UHFFFAOYSA-N 456.522 1.578 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H]2CCOC2)CC1 1760406555 HAQHFPKTJLAQNE-ZWKOTPCHSA-N 454.641 1.649 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](c2nc(C)no2)C1 1760557697 UESORDXNUUTCTC-INIZCTEOSA-N 463.564 1.077 30 10 JDEE CN(C)CCOc1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1768511793 BNTUNCGXIYIZPR-FPOVZHCZSA-N 488.614 1.092 30 10 JDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C1 1771351969 FSDXWSCRUKCSDC-LJQANCHMSA-N 475.571 1.284 30 10 JDEE COc1cccc(Cn2nnc(C#N)c2NC(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)c1 1870108945 DQKZTXJOPVREDQ-MRXNPFEDSA-N 460.450 1.896 30 10 JDEE C=CCn1nc(C)c(I)c1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1871332318 YXGNMWAYZUYFDN-UHFFFAOYSA-N 474.324 1.602 30 10 JDEE Cc1cccc(C(=O)NCC(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c1 1891109043 DYQOYUFVIRHJCN-UHFFFAOYSA-N 454.615 1.762 30 10 JDEE C#CCNC(=O)CS(=O)(=O)C(C)(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2074668447 FBLSQFZULLDFIO-QFIPXVFZSA-N 498.557 1.921 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@H]1C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2127628126 ABLHVCMKCGUSGE-YESZJQIVSA-N 452.357 1.508 30 10 JDEE CC(C)(C)OC(=O)NCc1n[nH]cc1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256673598 DSMONSIVLRNEBG-UHFFFAOYSA-N 450.330 1.259 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1O 2267013666 NNNYHLDJPHPCEJ-IMJJTQAJSA-N 450.341 1.973 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 2267378560 MRSYESQWYCEHCP-UHFFFAOYSA-N 470.401 1.351 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C1 2267409594 WQSMJBJLBVPNDX-HZPDHXFCSA-N 450.316 1.835 30 10 JDEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2267542627 UWJOLUDPTQKVJH-ZDUSSCGKSA-N 465.381 1.639 30 10 JDEE COC[C@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2268646436 JOJHZVICPVNRGV-NRFANRHFSA-N 450.345 1.953 30 10 JDEE CCn1cc(C(=O)N[C@@H]2COCCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282042060 FGESDEFOCLTETB-HNNXBMFYSA-N 464.372 1.568 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2282330872 GRSDVPMNXRRVOP-SFHVURJKSA-N 471.392 1.118 30 10 JDEE CCn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)nc1B1OC(C)(C)C(C)(C)O1 2282541344 WSGMSPJXZZAVKA-GDBMZVCRSA-N 464.372 1.302 30 10 JDEE C[C@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283059197 CJVVIAQDORBTKP-QWHCGFSZSA-N 456.274 1.695 30 10 JDEE COc1ccc(CNC(=O)C2(NC(=O)OC(C)(C)C)COC2)cc1B1OC(C)(C)C(C)(C)O1 2296182910 TVCSQVCPVJSXOA-UHFFFAOYSA-N 462.352 1.904 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2364883656 GHWDMXDTKQLJBD-HZPDHXFCSA-N 466.315 1.852 30 10 JDEE Cc1cc(C)nc(N/C(=N/C(=S)NC2CC2)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)n1 14161383 SXDNIJJVIRKMSF-HXUWFJFHSA-N 495.609 1.882 30 10 JDEE C=CCn1c(=S)sc2c(=O)n(CC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)cnc21 14753518 XCTREPOCLLNCHU-CYBMUJFWSA-N 456.615 1.847 30 10 JDEE COc1cccc([C@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)c1O 72444417 UEOAHSGRMNGLEM-DZGCQCFKSA-N 453.455 1.051 30 10 JDEE C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COS(C)(=O)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 136438730 MAKYQZAXAUAVII-LODJHJRTSA-N 452.569 1.788 30 10 JDEE in-vitro N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1Cc1ccccc1 520915199 GTZJYAMBLACFGL-UHFFFAOYSA-N 482.565 1.868 30 10 JDEE N#Cc1nccnc1N1CCC(CNS(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)CC1 585227100 NGKSQRLKYRPMLV-UHFFFAOYSA-N 452.540 1.378 30 10 JDEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)NCCn1cc(C(=O)O)nn1 757470568 JIBNNJUWFASOJG-UHFFFAOYSA-N 459.462 1.635 30 10 JDEE C=C1C(=O)O[C@@H]2[C@@H]3O[C@@]3(C)CCC=C(C(=O)OC)[C@@H](C(=O)O[C@]3(C)O[C@H]3C)[C@H](OC(C)=O)[C@@H]12 1078018649 XHRQWMRCCZKMAN-MLXCQMDMSA-N 464.467 1.361 30 10 JDEE COc1ccc(CNC(=O)CSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)cc1OC 1084343808 MDGVANKBOZZDLW-UHFFFAOYSA-N 473.563 1.641 30 10 JDEE COc1cc(C=NNc2nnc(SCC(=O)n3nc(C)cc3C)n2N)cc(OC)c1OC 1084450834 LWRISKKOASHAPD-UHFFFAOYSA-N 460.520 1.710 30 10 JDEE COCCn1cc(C=NNc2nnc(SCC(=O)Nc3cc(OC)ccc3OC)n2N)cn1 1084601955 KZZHFGDCXMVOTA-UHFFFAOYSA-N 475.535 1.029 30 10 JDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1286379719 BJUJJKODLOXDOY-HCXYKTFWSA-N 451.593 1.276 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1286381344 GEYOFGFZEPAFGN-XMSQKQJNSA-N 493.655 1.953 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1286387457 QVTZFFIFWZGUND-LJQANCHMSA-N 459.641 1.929 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N1CCCC1 1286420561 QXEFWWBJKIKHEB-RTBURBONSA-N 458.588 1.781 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1286422385 LUMPGIYOTNAYFH-HXUWFJFHSA-N 477.384 1.720 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2nc(C(F)(F)F)cs2)CC1 1286470820 CTWUJSWUNUBPLP-ZDUSSCGKSA-N 491.565 1.362 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1286473720 RSEKHOUGHGGIPV-INIZCTEOSA-N 465.526 1.736 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)Oc2cccc(F)c2)CC1 1286492828 AKPVJAJKMBJDGZ-SFHVURJKSA-N 482.560 1.973 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CN2CCCCC2)C1 1286495812 GEZBEVLRUCQQIJ-MSOLQXFVSA-N 454.666 1.567 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1286786869 KFJLPKXUYNCMDL-TZIWHRDSSA-N 494.644 1.768 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)cc1 1286795367 AKTWQLIXCZNKTI-PKOBYXMFSA-N 459.572 1.856 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(CCOC(C)C)CC2)CC1 1286890595 BCMUAXWUZZNOSX-UHFFFAOYSA-N 494.644 1.528 30 10 JDEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCNC(=O)c1cc[nH]n1 1297297511 DXFYJQWCCRMHHF-UHFFFAOYSA-N 463.546 1.162 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCS(=O)(=O)N1CCSCC1 1300313120 BKISSHUNXOLNCQ-QGZVFWFLSA-N 463.629 1.714 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC(NC(C)=O)CC1 1300363017 BRGQWYJQCXMHHR-SOAGJPPSSA-N 480.635 1.298 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1300489373 MWBOVSSSQJKZLZ-OALUTQOASA-N 487.626 1.931 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CC(=O)N1CCOCC1 1300511165 GERAJDSYGHSGDA-UHFFFAOYSA-N 460.307 1.778 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCC[C@@H]1NC(=O)NC1=O 1300511411 IPYCPGLUOXZVHE-INIZCTEOSA-N 473.306 1.908 30 10 JDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](NC(C)=O)C1 1300754517 BHZWTWVDXWHGCO-KRWDZBQOSA-N 475.644 1.710 30 10 JDEE C=C(Br)Cn1c(N2CCN(c3cccnn3)CC2)nnc1[C@]1(OCC)CCOC1 1300863373 NKSDMMMWIMPRLK-IBGZPJMESA-N 464.368 1.955 30 10 JDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1301175034 XKUPRZPZRKNQSH-UHFFFAOYSA-N 466.546 1.209 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ncc(F)cn2)CC1 1301483725 VNKYJFPNKPOFBX-UHFFFAOYSA-N 490.341 1.594 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)NCC)CC1 1301577955 QKNLAVFZDPNHPW-UHFFFAOYSA-N 460.604 1.112 30 10 JDEE C#CCCCCn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1358917782 ATOLINDRJFRQOH-SIKLNZKXSA-N 465.620 1.738 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1358920147 TVJHGUMTORQFQI-MOPGFXCFSA-N 472.615 1.948 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358963052 BACSYIGNLJYPRT-QRVBRYPASA-N 493.630 1.808 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358963170 CXPMPPPXDYAULP-BHIYHBOVSA-N 463.629 1.773 30 10 JDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 1359076442 BVYRCENGQHMHGN-CQSZACIVSA-N 495.407 1.390 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1359082511 LGLWQJJRUWNZHP-HRCADAONSA-N 453.385 1.685 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1359098095 XIHXHDHGWGVIFV-KHYOSLBOSA-N 465.576 1.856 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1359164565 SAPHBSKIUQEJCD-HNNXBMFYSA-N 450.590 1.734 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCN2CCC[C@@H]2CO)CC1 1359165904 ZJMBJZGNOYDEDB-UXHICEINSA-N 482.651 1.004 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](Cn2cccn2)C1 1359189947 ZCDRQZXMSPEIPS-OALUTQOASA-N 493.634 1.315 30 10 JDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1359283299 HXFJDBDGNGZSTO-XYJFISCASA-N 450.613 1.327 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1359284518 VAQFEEVFMNOQPW-UHFFFAOYSA-N 498.613 1.897 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1359299011 RMFFNRRUHCRJSX-QFIPXVFZSA-N 461.570 1.806 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1359303406 NDJXNYQMBZGGSK-MRXNPFEDSA-N 474.587 1.304 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1 1359309820 FDCIOYDWKCLPGK-GOSISDBHSA-N 475.571 1.682 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCn2nc(C)nc2C1 1359326576 DHKMQIZECKXVJB-UHFFFAOYSA-N 484.586 1.668 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1359334879 SZKABTUYRBRKLW-OALUTQOASA-N 473.599 1.790 30 10 JDEE C#CCN(C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C1CCN(C)CC1 1471320263 OYXGHVJKONVWMN-GOSISDBHSA-N 456.609 1.150 30 10 JDEE CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1494939924 DTNQSXLKTUWEMP-HTAPYJJXSA-N 476.603 1.607 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1507563339 FPXAWXVZVBIEMO-LSDHHAIUSA-N 461.510 1.489 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1507624562 BNCLUNSYJBYQST-QZTJIDSGSA-N 490.582 1.777 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CC(F)(F)CO1 1507711559 WYTJVWRGWLMNOB-SFHVURJKSA-N 461.517 1.962 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCN(CCC)C2)CC1 1507737034 XFXULXBKYOEULM-NBGIEHNGSA-N 472.634 1.628 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccc(OCC)n2)CC1 1507791203 JAIJHXQKHPZGFQ-UYAOXDASSA-N 484.605 1.913 30 10 JDEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1508058049 NTXQNBLHCJRKBN-KRWDZBQOSA-N 451.531 1.592 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1508078864 KYSCBNRJAOKHFR-UHFFFAOYSA-N 490.612 1.786 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1508087948 QZLBBNLYKFAKTB-CYBMUJFWSA-N 469.468 1.381 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1508089557 CCWQYSTXMNNMDZ-QFIPXVFZSA-N 495.628 1.519 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC[S@@](=O)CC)C1 1508115834 DEZBEBCPNYGPKT-ZYSBOAIWSA-N 466.633 1.788 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1CCCO[C@@H](C)C1 1509682547 FNGNSGUXMKMVFU-FQEVSTJZSA-N 495.632 1.510 30 10 JDEE CNC(=O)c1cccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)c1 1517490389 CGXKNTPKRQGPGA-UWJYYQICSA-N 460.535 1.224 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1519221741 CIVBWVUSOAEQLL-IRLDBZIGSA-N 470.574 1.549 30 10 JDEE C#CCSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F 1522944876 VPXYBMVWUKPYRI-UHFFFAOYSA-N 452.476 1.954 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN(CC)S(C)(=O)=O 1538971636 CPMFXOCNDKVOBX-MRXNPFEDSA-N 495.675 1.676 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539203819 VPETVCHJANNGME-WOJBJXKFSA-N 494.577 1.940 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1539229625 FMQSAEDOZOOMPQ-MRXNPFEDSA-N 475.962 1.314 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(CC(F)(F)F)C1 1539297095 ZEYLSZNIHQRJEW-JKSUJKDBSA-N 460.526 1.235 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CCS(=O)(=O)CC1 1539305241 URDARLMJFQEEMD-UHFFFAOYSA-N 457.512 1.256 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(N2CCOCC2)n1 1539396298 NTOKYHFXAQIKSG-UHFFFAOYSA-N 476.541 1.291 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2csc(C(C)C)n2)CC1 1539429530 AHOKAFXODRHWGO-INIZCTEOSA-N 465.649 1.466 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccc(F)cc2)CC1 1540862339 ZILXDAOKPWQAIY-UHFFFAOYSA-N 457.554 1.964 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1540864760 JYOWWTJCKJRRSP-AOMKIAJQSA-N 475.571 1.035 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)C)CC1 1540917566 ZSXZDNBVLPABEP-QGZVFWFLSA-N 458.654 1.061 30 10 JDEE COCCOCC(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@H]2C(N)=O 1548376637 DEOWRVPGTVRCNA-SFHVURJKSA-N 468.476 1.770 30 10 JDEE CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1554299296 HHTPSZSAVGFZMT-LJQANCHMSA-N 472.615 1.798 30 10 JDEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)C1 1554428278 GDMKNQQKQPAGEX-LEWJYISDSA-N 481.601 1.538 30 10 JDEE C#CCC[C@@H](O)CNC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 1556348835 CDCFBETYYKBYEK-ZIAGYGMSSA-N 459.362 1.411 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2(CO)CCN(C(=O)OC(C)(C)C)CC2)c1 1570262915 SZGDPJJZNAZREW-UHFFFAOYSA-N 450.557 1.975 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1588034986 OCFJVTACWQPVFK-JPYJTQIMSA-N 492.573 1.753 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1CC1CCN(CCN(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1588053407 FAKKOTCFDOEXPX-JOCHJYFZSA-N 476.691 1.836 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588053602 GEYQZOAHVTWURC-UYAOXDASSA-N 497.687 1.071 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1588064603 LIKMANRRUZGVKK-RTWAWAEBSA-N 471.627 1.989 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1588069909 UXSTXUFDZRTYTP-INIZCTEOSA-N 477.562 1.395 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CC=CCC1 1588088817 AWHWLNJAAAVECH-UHFFFAOYSA-N 451.600 1.881 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC 1588550508 UAJANEGAGKWWRT-IBGZPJMESA-N 465.551 1.426 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2CCOC2=O)CC1 1588954336 FUFFMMINYZHJSL-UHFFFAOYSA-N 471.587 1.442 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccco2)C1 1593747214 ROPRLZUDFGBDHS-OALUTQOASA-N 481.575 1.375 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1595093546 FPRPXJFEOAFRKX-QHCPKHFHSA-N 464.551 1.954 30 10 JDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1595314425 WQQCIQGLJDXVCO-MOPGFXCFSA-N 466.590 1.928 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1595490075 LSMNSOOJSVKVKI-SWLSCSKDSA-N 462.352 1.395 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1595760814 UFWXWIXMXUHVDB-OPAMFIHVSA-N 477.562 1.874 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1595785130 QYJYHBYRMZQTQY-UHFFFAOYSA-N 471.587 1.971 30 10 JDEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCS(C)(=O)=O)C[C@H]2C)CC1 1596266826 DCIZYRNVGIPNNJ-GCJKJVERSA-N 499.641 1.240 30 10 JDEE Cc1nccn1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1612449446 GTBMOGRVNJOGDP-LJQANCHMSA-N 468.587 1.788 30 10 JDEE COCc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)ccc1F 1619654282 AUBNRXBBJXPHOM-YJYMSZOUSA-N 454.503 1.664 30 10 JDEE COc1cc(OC)cc(N2C[C@H](C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2=O)c1 1624813289 FOCZTLPTYMAHSI-VCBZYWHSSA-N 458.515 1.932 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCCOc2ccc(Br)cc2)CC1 1636479444 BARKITBLYGVEKE-UHFFFAOYSA-N 458.378 1.610 30 10 JDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CSCCN1Cc1ccccc1 1638503783 HJRPDELXVDCMPI-GOSISDBHSA-N 458.609 1.849 30 10 JDEE C=CCN1CCC(NC(=O)NCCc2ccc(OCCN3CCN(C(C)=O)CC3)cc2)CC1 1676869130 FPZHACGRVZCWOA-UHFFFAOYSA-N 457.619 1.722 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C1CC(C(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1689980295 PIXLQOWPHXDSHZ-KZYLPZIUSA-N 471.649 1.512 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1689983425 BJMDTUFQNFMIOP-FQEVSTJZSA-N 462.535 1.895 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1689996461 INGWXJYVGPGOEI-INIZCTEOSA-N 463.535 1.149 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cccnc1OCCC)[C@@H]1CCS(=O)(=O)C1 1689996846 PUSOGSOBLDCHRH-OAQYLSRUSA-N 497.625 1.999 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)N1CCCC1 1690019924 UYRNNYYAKQOGDM-PKTZIBPZSA-N 496.637 1.521 30 10 JDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1690082881 RQPDXLWDSDXRSY-NRFANRHFSA-N 470.643 1.537 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccn(C)n1 1690091278 NZOYXZCARDEHTD-HXUWFJFHSA-N 487.561 1.172 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)COC 1690103269 BHSPUXLGLDGUHG-QZTJIDSGSA-N 451.568 1.955 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1690135411 WFFNOKGUSXZLLM-MSOLQXFVSA-N 456.513 1.538 30 10 JDEE C=C(Br)Cn1c(N2CCC(OCC(N)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690234947 RZFGMMRQDNTUHR-LJQANCHMSA-N 472.384 1.698 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)NC(C)(C)C 1690235771 DMVQPGOFBJWHTL-VYDXJSESSA-N 456.613 1.220 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCCC(=O)NC 1690241786 XOJBNBZHCSABPC-GHTZIAJQSA-N 465.562 1.864 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1690310074 SLDMWAJXKZJRGX-IBGZPJMESA-N 456.522 1.923 30 10 JDEE C=CCNC(=O)Cn1c(N2CCCN(CC(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1690677018 KWPYLAIKNBOHPD-LJQANCHMSA-N 460.501 1.307 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H](C)C#N 1690724835 XDVDMDHZGYOSFK-QGZVFWFLSA-N 458.592 1.649 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1695917326 HRSUGTGHGPIHLN-GOSISDBHSA-N 465.558 1.702 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705560316 JRPWBEYGJPNFDG-XWSJACJDSA-N 454.593 1.301 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCS(=O)(=O)C1 1705624639 JIUSGKYFBQXQOD-KRWDZBQOSA-N 460.556 1.627 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H]2CCC[C@H]2N2CCCS2(=O)=O)CC1 1705644066 GGERGRBTMUEUSO-VQTJNVASSA-N 476.647 1.572 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCc2nnc(C)s2)CC1 1705644268 KQJIDEQYCICNJH-UHFFFAOYSA-N 458.592 1.175 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[C@@H](OC)C(F)(F)F)CC1 1705645429 UBXWLNQZBUBIHQ-UTKZUKDTSA-N 487.523 1.863 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1705812367 XSIRZGWUPMWKKV-SFHVURJKSA-N 496.659 1.674 30 10 JDEE C=CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1705892957 SFZUJMKUOZCAAC-HXUWFJFHSA-N 461.588 1.982 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705898799 YAORGBVJBJMCKG-QGZVFWFLSA-N 497.556 1.127 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@](O)(c3cccc(F)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705908432 PHXRKCZTPYNXOP-RPWUZVMVSA-N 473.549 1.858 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1705938604 DTMZQPGUCVFPNE-DENIHFKCSA-N 468.620 1.784 30 10 JDEE CC(C)c1nc([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)N(C)C)CCO2)no1 1706269327 HXGNGAREUVBODG-KRWDZBQOSA-N 450.503 1.989 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cccc(C#N)c2)n1CC(=O)N(C)C 1708152735 HCPGMOWWLGDXBG-MRXNPFEDSA-N 456.514 1.282 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2COCCO2)c1 1711018014 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C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286792328 USBLJBDLUJFFHT-UHFFFAOYSA-N 478.557 1.308 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1286815568 BALSHARWSCKLSF-HXOBKFHXSA-N 492.598 1.947 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1286823794 YKQAEJCYVDHMGG-UHFFFAOYSA-N 467.617 1.268 30 10 JDEE Cn1cc(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)cn1 1298827375 FQNWXMDWSNNGCI-UHFFFAOYSA-N 498.613 1.567 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCCC)nc1 1300310103 WZTSQCGKZYUDDH-AEFFLSMTSA-N 462.576 1.301 30 10 JDEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300483886 ORVOSZVEEJWSSW-LJQANCHMSA-N 455.584 1.463 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1300486757 APIPUYCQHBQSAF-YPHUNTSASA-N 462.547 1.641 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN1CCOCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300495286 GCVIJARPFJENHT-RTBURBONSA-N 465.620 1.257 30 10 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30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1cc(C)oc1C 1359010197 JQSOVSACMGFGGG-RXVVDRJESA-N 465.576 1.188 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCS(=O)(=O)CC)CC1 1359030639 AEFGQEFPCZQZAN-UHFFFAOYSA-N 455.382 1.226 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCOCC2(C)C)CC1 1359042094 RCCXPPPLHAMKJF-RUZDIDTESA-N 488.633 1.007 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccnc2OCC(F)F)CC1 1359044618 KFRWDDOTVRHEDP-SFHVURJKSA-N 474.512 1.835 30 10 JDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1359056916 NSOFQBCRSRNSAU-HBMCJLEFSA-N 474.675 1.775 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1359058313 ZHZCLSAREHDDIQ-KSZLIROESA-N 469.633 1.125 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1C[C@H](C)O[C@H](C)C1 1359113361 GWVCXJVZYRDBKF-HSALFYBXSA-N 484.667 1.513 30 10 JDEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCO[C@H]1C 1359268005 ZWECPVAIUONALA-HTAPYJJXSA-N 461.588 1.914 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](CC(N)=O)C1 1359293220 KJHYPROJHXXCJC-ZDUSSCGKSA-N 464.368 1.440 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCNC(=O)[C@H]1CC 1359329899 YPEXMRVWNVYQDW-MRXNPFEDSA-N 467.979 1.923 30 10 JDEE CC(C)(C)S(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1359586995 DPZDNQLCUHXRSR-QAPCUYQASA-N 461.544 1.733 30 10 JDEE CS(=O)(=O)N1CCC(N(CC(F)F)C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1459461382 CPSAKOKAYQMGRJ-HNNXBMFYSA-N 454.499 1.429 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 1468517541 SBHXHXFQTQYVFR-UHFFFAOYSA-N 456.480 1.105 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCNS(=O)(=O)c1ccc(C)s1 1507514284 PZPUVEYOCHKUJP-CQSZACIVSA-N 473.584 1.732 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC2(S(C)(=O)=O)CC2)c1 1507552205 MGFOIBURTISCOP-UHFFFAOYSA-N 478.578 1.897 30 10 JDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)N1CCN(c2ccccc2)CC1 1507622716 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C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)C(=O)C1 1507802785 DJAYNUULHUKOFK-SCTDSRPQSA-N 468.624 1.174 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1507831969 JIVUKFNXCNCJPG-APWZRJJASA-N 497.643 1.788 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCOCC2)C1 1507965827 VMXIWLINTKLWIT-SFHVURJKSA-N 469.608 1.211 30 10 JDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCN(CC)CC1)C1CC1 1507993211 OUYNXWPWLYSCMW-RBUKOAKNSA-N 450.653 1.609 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)OCCCO3)C1 1508110861 UYUAOFYQUALPDW-SJLPKXTDSA-N 477.587 1.879 30 10 JDEE Cc1cc(C)n(C[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCS(=O)(=O)N(C)C)CCO2)n1 1511721063 GMYPBSKBGBFEEA-NRFANRHFSA-N 498.613 1.427 30 10 JDEE CN(C)S(=O)(=O)c1ccccc1Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1517019804 AUPNKVUSJBWDHF-KRWDZBQOSA-N 453.528 1.367 30 10 JDEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1539123889 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1588200527 TZBYFPSPRYTQHM-UHFFFAOYSA-N 464.555 1.209 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1589007786 RAYQNPTYNPEETO-OAQYLSRUSA-N 461.613 1.677 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1594628115 YYCRPDBUGYUWKR-SJORKVTESA-N 464.592 1.303 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1595516797 JBDPOAUIPROVHV-AZUAARDMSA-N 484.601 1.812 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1595658472 FCDQYBJMNYUHLD-IBGZPJMESA-N 495.584 1.016 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(C1)OCc1ccccc12 1595760793 TVGOZNAKZAHSAG-QFIPXVFZSA-N 459.572 1.653 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1595823162 KYOUSYQMVGEWKF-QGZVFWFLSA-N 489.627 1.945 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cccc(O)c2)CC1 1595838708 YFTNLTGKAVVSNT-RXVVDRJESA-N 491.614 1.635 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)C1 1615980218 BEONXPIPEZMQQD-HXUWFJFHSA-N 498.613 1.645 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCC(CO)CC3)n2CCS(=O)(=O)N2CCSCC2)cc1 1620350363 ICLFSKWIPHEXSY-UHFFFAOYSA-N 476.628 1.404 30 10 JDEE Cc1nn(C)c(N2CCN(C(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccn3)CC2)c1C#N 1624412823 BJHXRZNHXFLGHI-UHFFFAOYSA-N 458.548 1.134 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1627014754 CZCUVQPDMHGOEO-SZTYLXMGSA-N 457.575 1.057 30 10 JDEE C#CCN(C(=O)CN(C)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCOc2ccc(Br)cc21 1628057484 GZDLDTRPOAPKTD-DOTOQJQBSA-N 455.374 1.853 30 10 JDEE CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1632013962 FJWOGPUZJZTGPD-SFHVURJKSA-N 456.568 1.944 30 10 JDEE N#Cc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)CC2)cn1 1644911700 AYBQGIUBAYRGIM-UHFFFAOYSA-N 451.508 1.987 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)n1 1682125823 NIBRMHFLQNGKBM-UHFFFAOYSA-N 452.559 1.262 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1689824548 SAAIJKOKDDQMDX-IBGZPJMESA-N 473.585 1.969 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C(CC)CC)N1CCOCC1 1689851965 YGZKOTOROPQMMA-SXLOBPIMSA-N 451.637 1.775 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1689982143 IRRHYXQKFLBVJZ-VGOFRKELSA-N 477.587 1.464 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCOCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689988036 HRAGKQLNYSYSQU-RTBURBONSA-N 457.556 1.073 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1689993435 DKVVZUHONNCNGE-INIZCTEOSA-N 467.393 1.517 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@@](C)(O)CCC)CC1 1690122084 FOPMNMJMZIGDLB-VWLOTQADSA-N 463.586 1.981 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CC2(C(N)=O)CCOCC2)CC1 1690133469 IFUGSCOQYAFESR-UHFFFAOYSA-N 466.586 1.457 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)N2CCC(C)CC2)CC1 1690144331 VGPUMHXJAFMJAZ-AZUAARDMSA-N 455.607 1.315 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC[C@@H](C)N2CCCCC2)CC1 1690150654 PGZRQOOBSDOAGV-HXUWFJFHSA-N 469.634 1.631 30 10 JDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCN(CC)C(=O)C1 1690169516 FKKZNOXAEZDGTO-UHFFFAOYSA-N 475.644 1.663 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1690345731 BSTUAYLURQABOV-LJQANCHMSA-N 499.081 1.751 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1690433526 XLLDTFVZDHLAQF-SFHVURJKSA-N 487.630 1.603 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1690470838 MMHWRBMSODDBRX-LSDHHAIUSA-N 452.585 1.429 30 10 JDEE C=CCn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1690637817 PHUDHRDWBAVKIS-UHFFFAOYSA-N 458.324 1.229 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(OCC)c(OCC)cc2C1 1690670054 XMTMCULYMWNFAZ-GOSISDBHSA-N 468.558 1.892 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC2(CC1)COC(=O)N2 1690717791 QZNIZCBXDXBSMG-UHFFFAOYSA-N 499.391 1.715 30 10 JDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690733984 SGIASKONNSVJTC-MJGOQNOKSA-N 463.652 1.324 30 10 JDEE COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](OC)C2)CC1=O 1698077968 FCOFSQGKJAWUBK-FPOVZHCZSA-N 468.558 1.839 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H]2OC)CC1=O 1698096093 CENQBHHEVHCOAF-FPOVZHCZSA-N 468.558 1.839 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1705566048 LQYYWGJVUDZMJU-SYYJFZTOSA-N 460.604 1.901 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1nnc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 1705567604 XPTLYKJFHHFRSH-CVEARBPZSA-N 478.644 1.996 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CC1CCN(C(=O)OC)CC1)[C@H]1CCS(=O)(=O)C1 1705569377 GJXYOQSYOBQCMA-FQEVSTJZSA-N 486.598 1.369 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCOC(C)(C)C1 1705590985 BOLDXVIDIFBCAG-UHFFFAOYSA-N 498.653 1.769 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1705634861 KUTPOOIHNBZKQQ-QHCPKHFHSA-N 479.647 1.431 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2CCCC[C@H]2C)CC1 1705645206 NURHVIXDNVVYNZ-MOPGFXCFSA-N 493.678 1.119 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCOC(C)C)CC1 1705648133 OGWNSUBIXVIHSC-IBGZPJMESA-N 465.620 1.351 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCNC(=O)OC(C)(C)C)CC1 1705648485 XLQSYYYTHXRIJB-GOSISDBHSA-N 487.605 1.500 30 10 JDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1705658252 JWMOBBDTLPZJBZ-UHFFFAOYSA-N 473.584 1.347 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1705661951 LYSNTKSVMUTHPX-HXUWFJFHSA-N 487.651 1.438 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1CCNS(=O)(=O)Cc1ccon1 1705676115 NMLYKIGJLSXSSO-OAQYLSRUSA-N 455.544 1.364 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1705904402 OBVOTQOFRRDTLV-PKOBYXMFSA-N 458.588 1.563 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1705906057 QRTPZXXQIJERRJ-GOSISDBHSA-N 499.641 1.760 30 10 JDEE C=CCNC(=O)Cn1c(N(C)[C@@H](C)CS(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705908523 RFHOHFGZBJWQBS-HRCADAONSA-N 484.623 1.220 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(C(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705908838 WDQVTEQVTWZETH-XMMPIXPASA-N 474.606 1.460 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1705934862 ZEGDESLYIKJZRS-UHFFFAOYSA-N 487.630 1.955 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN3CCCC[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1705939403 WWNBEKLUJBVYKP-NQIIRXRSSA-N 453.609 1.206 30 10 JDEE C[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1)N1CCOCC1 1706781508 IAWRAAPVEPKGLD-QGZVFWFLSA-N 458.588 1.809 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2ccccc2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1710898487 DJWXQJIXDDSJCQ-SFHVURJKSA-N 495.613 1.570 30 10 JDEE CN(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccco1 1710992248 DUVDYMIKQAWGCS-IBGZPJMESA-N 469.571 1.794 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@](F)(C#N)C1 1711416840 DRAIXJPQHWSNOF-INIZCTEOSA-N 457.329 1.699 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1722331973 BKJZPXSPAVKMOP-UXHICEINSA-N 477.562 1.741 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722364881 BLYYHCFGHNWOGR-MSOLQXFVSA-N 481.619 1.714 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1722371754 LGLGFUKRUBWNFO-MRXNPFEDSA-N 462.601 1.149 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)CN1CCOCC1 1722395301 YEUVLKZNHJPFRI-FQEVSTJZSA-N 497.669 1.978 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccc3[nH]ccc23)CC1 1722444824 OSTSHZNDNPRGMP-KRWDZBQOSA-N 497.625 1.578 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 1722447610 KSQNCCZZSITHEU-FCHUYYIVSA-N 477.613 1.806 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722692066 WCWBDFWFQDRRJY-WMLDXEAASA-N 451.524 1.483 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)OC)CC1 1722697732 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C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1740709909 RUKRVHLORJSNKH-KGLIPLIRSA-N 468.571 1.328 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1740719194 BGFXJXIBCMYPNY-IBGZPJMESA-N 456.620 1.892 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1740900631 UWVZNARDEGIUFU-NQIIRXRSSA-N 490.630 1.768 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](CN2CCCCC2)C1 1740985593 JJVXFXBTADENLX-SFHVURJKSA-N 452.625 1.329 30 10 JDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1741005495 LLBHHQDEBCUUCB-INIZCTEOSA-N 460.608 1.894 30 10 JDEE Cc1nn(C)c(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1742658630 HYJADPBMYGYPEH-SFHVURJKSA-N 469.571 1.751 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2ccnn2C)C1 1748717637 FCXJEHDUOCCJJC-ICSRJNTNSA-N 475.619 1.532 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCO[C@@H]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1748816096 WVKSCHANNPGNAF-ZSYWTGECSA-N 463.604 1.451 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1cccc(OC)c1 1748874968 GPNPWLXBFULYJQ-UHFFFAOYSA-N 471.521 1.827 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCN(C(C)=O)C1 1748882054 KQCBBFPCFBRWIW-OAQYLSRUSA-N 496.637 1.917 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c[nH]nc2c1 1748892238 LRVLJNPBULPSEH-OAQYLSRUSA-N 481.582 1.193 30 10 JDEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(C(N)=O)cc1 1748949685 IEJBOGUMLSCZHY-UHFFFAOYSA-N 495.609 1.780 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1c(C)cccc1C 1748962679 NYDFMOIRPFTIEJ-SFHVURJKSA-N 459.572 1.522 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCSC2)CC1 1748989753 OISIWFAKCXGUID-FDDCHVKYSA-N 492.646 1.210 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCCC2=O)CC1 1749001156 KGSVOTINVKBDGS-UHFFFAOYSA-N 492.584 1.294 30 10 JDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1749187636 XLAPKSRBWTZRGK-QGZVFWFLSA-N 473.578 1.245 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1749655371 JJQHGCFWUFUJSV-IPMKNSEASA-N 459.572 1.370 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1749658377 OMEZQWWOFQJCKW-KRWDZBQOSA-N 474.009 1.937 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1749676748 BVVBYGKXQCDPDW-HXUWFJFHSA-N 472.615 1.370 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1749677478 AETWFQJPWFJIPH-HXUWFJFHSA-N 457.623 1.651 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC)CC1 1749690344 QNMRFWQBTITFOU-IBGZPJMESA-N 473.599 1.756 30 10 JDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1760184449 XJIGPAYFNLPVMA-APWZRJJASA-N 493.033 1.438 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760187468 DHVLVFNEFGTLNE-GCJKJVERSA-N 452.540 1.270 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760188201 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10 JDEE C=C1CCC(CNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1471754987 IGULEIVPWDWMSF-QGZVFWFLSA-N 451.545 1.233 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccc(OC)cc1 1507538570 NKPWHGDDHSCHSR-PXNSSMCTSA-N 461.588 1.710 30 10 JDEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1507566686 IGOSCRLCUNOGHY-QZTJIDSGSA-N 476.578 1.341 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1507633972 VXURCZJEAYNULH-LEWJYISDSA-N 463.648 1.921 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ncn(-c3ccccc3)n2)CC1 1507718682 GIFYHLYSGZSGRR-IBGZPJMESA-N 450.547 1.386 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C[C@@H]1CCOC1)C1CC1 1507783794 DYSFSBAGAHRSIK-HOCLYGCPSA-N 490.424 1.525 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1507806136 OJMFYRVVGPUCSR-QAETUUGQSA-N 470.596 1.146 30 10 JDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507846307 HUZGMARPNRSQKE-HSZRJFAPSA-N 453.547 1.671 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1508137601 OEUZQGIHMOGFHA-LJQANCHMSA-N 473.603 1.523 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1nc2cccc(Cl)c2n1C 1510187954 BAEMCYOVHILXFP-CWTRNNRKSA-N 480.957 1.919 30 10 JDEE C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1 1523979392 GUOBCVWXVUIVMR-OAHLLOKOSA-N 458.544 1.933 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2)C1 1539071773 DONUODIMIJDMCO-LEWJYISDSA-N 473.599 1.992 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCN(C)c1ccccc1 1539126446 VFKCGPAHPCSEMQ-HXUWFJFHSA-N 460.604 1.597 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1539201983 DKSCKQKOOGGDGI-GOSISDBHSA-N 465.539 1.190 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1539210939 FJHNOSPOUHULMB-WOJBJXKFSA-N 455.540 1.249 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1539216168 OMZHDUIFLDCORK-HUUCEWRRSA-N 450.615 1.210 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CCNC(=O)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1539225021 LGKQYXBATFRMRY-HXUWFJFHSA-N 455.584 1.596 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1539323774 LFXHSNWACLKVQQ-MSOLQXFVSA-N 463.604 1.899 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncn(C)n1 1539326733 ZEKFHPLFJOFJOW-QGZVFWFLSA-N 454.535 1.226 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1539496468 GESXIKCUUWUOOG-ZACQAIPSSA-N 498.675 1.558 30 10 JDEE CC(=O)N[C@@](C)(C(=O)N1CCN(c2ncccc2C#N)CC1)c1ccc(S(C)(=O)=O)cc1 1540602833 JFGZXAHKUOSQIV-JOCHJYFZSA-N 455.540 1.057 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ncc(F)cn2)CC1 1540900928 NGLTXHXCCPBZMN-UHFFFAOYSA-N 458.523 1.197 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC2(C(N)=O)CCOCC2)cc1 1555989318 GTVCDJABRSPVKC-INIZCTEOSA-N 464.448 1.866 30 10 JDEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC[C@H](O)C(=O)OC)c1 1556055814 IHWVPCKMWUZTSE-SFHVURJKSA-N 452.916 1.985 30 10 JDEE C#CCCCn1c(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1587894352 SJCPSXOSRNEPJM-XTJBDQBJSA-N 472.634 1.721 30 10 JDEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1588049787 LGIHSUJLLZPMSR-KRWDZBQOSA-N 482.610 1.836 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1588064179 CEBQMWNZOJCCJS-GOSISDBHSA-N 456.959 1.987 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCn2cnnn2)CC1 1588891161 LZXMCTYMYWEFBB-QGZVFWFLSA-N 481.536 1.600 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1588947697 TUGZYVBGIMJTDA-LJQANCHMSA-N 496.587 1.469 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1589481603 AXHMFUISVBCAJY-HOJAQTOUSA-N 462.595 1.519 30 10 JDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1589485368 YTHODPGGHRKVFZ-ZQGRQUNCSA-N 497.394 1.725 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1595784068 BGJWXKVNMUXZAF-UHFFFAOYSA-N 456.528 1.496 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1595785144 RKBQKQVKDYIBES-UHFFFAOYSA-N 483.598 1.550 30 10 JDEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN1CCOC[C@@H]1C 1613314241 HFGFJYURAWZSOI-MSOLQXFVSA-N 455.611 1.753 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1670092345 DIODAISWCCQKHG-OXJNMPFZSA-N 452.577 1.876 30 10 JDEE C#CC[C@H](COC)NC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1687206405 SDILEYZRZARPIL-QRVBRYPASA-N 450.580 1.962 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H](C)CN2CCOCC2)c1 1689870462 OTGXBOSGGZTXLD-LJQANCHMSA-N 476.585 1.703 30 10 JDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1689881497 RZIGJSFNMYLYHA-FQEVSTJZSA-N 464.555 1.351 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCNC(=O)C1CCC1)[C@H]1CCS(=O)(=O)C1 1689984383 ONHPGKFAAKHKOP-NRFANRHFSA-N 480.594 1.750 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CSC)c1)[C@H]1CCS(=O)(=O)C1 1689988845 XIUQXMISHIRGJW-RBUKOAKNSA-N 473.624 1.767 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1689990098 LOROLEOBVLGAGO-QGZVFWFLSA-N 458.650 1.708 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1689994151 SACPEMJIZLMHCP-XLIONFOSSA-N 476.672 1.992 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1690124788 UNVJBLPTTUSZAS-SFHVURJKSA-N 460.579 1.189 30 10 JDEE C#CCSCCn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690187045 YYHLIKODMUNDDN-RTWAWAEBSA-N 468.645 1.700 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCN(C(C)=O)CC1 1690577497 IGGADSJRUITJEJ-IBGZPJMESA-N 457.604 1.647 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cnn(C)c2)CC1 1690644396 IWLMUAGDTDCCFJ-GOSISDBHSA-N 458.567 1.833 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1690644487 ODAMFERARIGSEB-MRXNPFEDSA-N 459.532 1.082 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC2(CCOCC2)C1 1690662698 CTIDGRIJJGOVHP-UHFFFAOYSA-N 488.614 1.505 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1690674715 CGLJMXMGPQMGIG-KRWDZBQOSA-N 489.621 1.832 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1690676999 KLCNNNPCZQPYFO-QFIPXVFZSA-N 472.571 1.912 30 10 JDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCc1cnccn1)N1CCOCC1 1692720115 CLLVBHYNPZWQMI-LJQANCHMSA-N 462.558 1.918 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(SC)CCOCC2)CCO1 1696964205 HHJSNIVSEISRKM-SFHVURJKSA-N 456.572 1.680 30 10 JDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705520323 POJIZPFMGGGEES-UHFFFAOYSA-N 450.547 1.025 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1705534246 CMBBQIASIXTICY-AQNXPRMDSA-N 461.563 1.966 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1705560578 IDTPVORSQFTDAJ-REWPJTCUSA-N 490.630 1.461 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CCc1nnc2n1CCCCC2)[C@H]1CCS(=O)(=O)C1 1705561742 WGJKXYUBVJPEAA-KRWDZBQOSA-N 459.620 1.763 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 1705561774 TZNAYECNDLXEIG-GCJKJVERSA-N 491.639 1.722 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1705562005 WXXCMOUSWNOZOS-WMZOPIPTSA-N 461.588 1.539 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705564457 CCMUQRVOJZUPFZ-DLBZAZTESA-N 467.592 1.324 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(NC(C)=O)c2)CC1 1705634863 KUWXGIULWREGSK-XMMPIXPASA-N 452.559 1.692 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)CC1 1705776831 QTIFZGRJQRNJEC-NEWSRXKRSA-N 494.641 1.637 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3cnn(CC)c3)C2)nnc1[C@@]1(OCC)CCOC1 1705908377 APLRISDARWVJQG-XMSQKQJNSA-N 459.551 1.027 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccco1 1705930053 DKHQBYVBAXPGHZ-LSDHHAIUSA-N 457.578 1.424 30 10 JDEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)NCC(F)(F)F 1706115243 DNWSDXPNZWCGOM-UHFFFAOYSA-N 450.469 1.847 30 10 JDEE CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CCO1 1706687352 BDKBVVFQPWJJBI-RTWAWAEBSA-N 488.614 1.871 30 10 JDEE CO[C@@H]1COCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1712095548 ABWJYAHKVXWXAD-QWFCFKBJSA-N 454.579 1.905 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722363728 BLNXLTNMVRBCDD-UQASEVPWSA-N 463.629 1.812 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1722367063 UQGMOLUHXKOASS-NRFANRHFSA-N 478.578 1.299 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(-c3ccccc3)no2)CC1 1722431119 GCEUMTUDPXIFBF-KRWDZBQOSA-N 469.571 1.347 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1722442653 XRLZBJYFTHLSDH-HXUWFJFHSA-N 461.563 1.719 30 10 JDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1722455970 XBHQFLXHWXCQIY-UHFFFAOYSA-N 465.601 1.410 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1722696142 CHDMZGZWCHXAOC-MRXNPFEDSA-N 461.505 1.763 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722696355 JXPWTITXVGTKJW-NQIIRXRSSA-N 481.601 1.245 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1722698029 BGTHOSRHJCNPKY-IRXDYDNUSA-N 458.567 1.474 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1722699657 WYDXQUSGILTICX-LJQANCHMSA-N 483.573 1.723 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CCCO2)CC1 1722738518 KNEBETORZCFJSE-OALUTQOASA-N 485.676 1.926 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cn2cccn2)cc1 1740550254 IHWXUDVOHCSYIF-NQIIRXRSSA-N 483.598 1.362 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCOC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1740622221 ASRHCUAXJYPYJB-VQTJNVASSA-N 473.599 1.718 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1740624033 CWHXBIBKOQZTBZ-WMZHIEFXSA-N 474.631 1.708 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccsc1Br 1740630735 KZYFZFMRVAQANM-GFCCVEGCSA-N 456.391 1.833 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC(C)(C)C)CC1 1740701682 ATPJSISBNZZKEI-MRXNPFEDSA-N 452.625 1.680 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CC(=O)N1CCOCC1 1740713757 PRPDIOQMMMYCTP-UHFFFAOYSA-N 459.572 1.624 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(OC)cc1 1740731863 JXFVRKONJPBNGN-NZQKXSOJSA-N 489.598 1.691 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740764318 DDYBJMSIYMWGAT-RMMWZPCPSA-N 483.635 1.501 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740899073 FLWKZACFOVQKDX-ZACQAIPSSA-N 457.622 1.007 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccnc(C(C)(C)C)n1 1740899612 FHDKQALLWNEYQA-SFHVURJKSA-N 477.635 1.954 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCS(=O)(=O)C1 1740922652 OCTDCXJSFVAZPE-HOTGVXAUSA-N 487.673 1.967 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1740956814 QVRQQJDDGUEANR-CQSZACIVSA-N 492.353 1.705 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1740958602 DXGISCUKIJPFKG-UHFFFAOYSA-N 466.933 1.653 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(F)(F)F)CC1 1740985936 OAAFGVIWOVACAK-UHFFFAOYSA-N 487.508 1.211 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C)C(=O)[C@@H]1C 1740988321 AMFVAKVUEZBKOK-AWEZNQCLSA-N 467.979 1.875 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1740990215 MLJHAFHVCICOIB-JOCHJYFZSA-N 482.610 1.797 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1740993493 CJEJAGJZWGIAPB-GOSISDBHSA-N 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C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1722698912 OYOUCMPEVBTOFG-HXUWFJFHSA-N 452.559 1.366 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1722700214 ARFQKDYGSGMLCT-UHFFFAOYSA-N 472.553 1.773 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1722707748 YIILLKDMYRXNPX-FXAWDEMLSA-N 474.587 1.820 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccsc2)CC1 1722723652 BJTNYQFUIYKBNQ-HNNXBMFYSA-N 487.673 1.935 30 10 JDEE CCN(C)C(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1728258975 FWKXJHSZCSQSOU-AWEZNQCLSA-N 463.336 1.923 30 10 JDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1740571391 NLZPPTUYJNVQOT-UHFFFAOYSA-N 476.585 1.206 30 10 JDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740581097 PFZUPDROYSWJGK-UHFFFAOYSA-N 471.993 1.485 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(CC)cc1)N(C)C 1740609374 JCQFKAONXOYSDQ-SFTDATJTSA-N 474.631 1.546 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1coc(-c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 1740615947 OLMMDLHQKBTWJL-LJQANCHMSA-N 482.566 1.746 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1740620620 FQEGXQQSXGDVQM-QRWLVFNGSA-N 450.561 1.579 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2csc(C(C)C)n2)CC1 1740696562 XLIZSQYYUOAVTI-KRWDZBQOSA-N 462.645 1.758 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2OC)CC1 1740717699 YXMIZWACAXAVHJ-FQEVSTJZSA-N 489.667 1.877 30 10 JDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1740737167 BNRCKTITRVPZFO-IBGZPJMESA-N 464.368 1.908 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ncc(Cl)n1C 1740875753 JMDYOMXJNYYACV-AWEZNQCLSA-N 457.988 1.601 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1740946852 JYYUIDQZGWLMLI-LJQANCHMSA-N 474.587 1.068 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1740958261 MHSDDNSDJJLPHP-RTBURBONSA-N 452.559 1.964 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740987605 JXSLOJHYIHMSOG-HNNXBMFYSA-N 462.532 1.511 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCS(C)(=O)=O 1740989864 AZDUDECRSJOCDU-UHFFFAOYSA-N 465.601 1.518 30 10 JDEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1741002474 IXNCDOKRJLBRCR-IAGOWNOFSA-N 496.634 1.457 30 10 JDEE CC(=O)N1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 1741022359 AYKPVAIBCGMOHO-KRWDZBQOSA-N 494.604 1.052 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CCOCC1 1741134605 DWQYMEPMIREFJL-LJQANCHMSA-N 451.575 1.877 30 10 JDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCc2cccc(C(=O)N(C)C)c2)n1 1742712563 FUDDZOMEDPAJIO-NRFANRHFSA-N 462.558 1.813 30 10 JDEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CC1 1748229145 BDFPDJQZMIKXJJ-UHFFFAOYSA-N 465.558 1.418 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1748804741 KMEZYTOIEJGWAA-HSALFYBXSA-N 451.637 1.775 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@](C)(O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1748811108 BTGGAGQSFRXSQN-GCJKJVERSA-N 486.985 1.923 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1748818769 GAPNDSFWILXOKY-HOTGVXAUSA-N 450.511 1.953 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sccc1C 1748892457 PBBKHRLMCLQUCZ-SFHVURJKSA-N 461.613 1.687 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2noc(CC)n2)CC1 1748978231 ITLJTAGLEPWCFS-UHFFFAOYSA-N 459.352 1.979 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCOCC(F)F)CC1 1748986726 IKCCDGIKTBKASJ-UHFFFAOYSA-N 471.512 1.619 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC2(O)CCN(C(C)C)CC2)CC1 1749008572 DCNYBSOADYHBPA-UHFFFAOYSA-N 453.591 1.474 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)N2CCN(CC)CC2)CC1 1749011186 XXYSIIDAGDUCDW-FQEVSTJZSA-N 466.634 1.275 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1749038939 NAQHHJTUIIITPR-KRWDZBQOSA-N 479.653 1.571 30 10 JDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CC1CCN(CCN(C)C)CC1 1749042707 CIGAYCKOZZFFCT-JOCHJYFZSA-N 467.618 1.880 30 10 JDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1749187828 PXBWBVIEXVSQHU-HYVNUMGLSA-N 475.575 1.438 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(N(C)C)CCCC2)CC1 1749303044 DJUABDPHOXTHMB-GOSISDBHSA-N 452.625 1.642 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1749650115 KECZPAUMUSSGDH-LJQANCHMSA-N 479.585 1.463 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1749650292 QXNJLVOVUSHTRK-UHFFFAOYSA-N 459.595 1.384 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(F)F)CC1 1749655472 LTZRXMXPRHXSDM-UHFFFAOYSA-N 458.311 1.725 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@H](C)C1 1749669875 OSUFLXGHIXBVCI-SJORKVTESA-N 464.567 1.504 30 10 JDEE C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1752419529 CQAZQRFSISDTDE-UZUQRXQVSA-N 453.547 1.151 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCOCC1 1760240422 QMVFZXBIUVAZDF-MSOLQXFVSA-N 478.594 1.388 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)C2CCCCC2)CC1 1760265121 OJNJMBQELXAMAT-VWLOTQADSA-N 470.618 1.811 30 10 JDEE C=C(Br)Cn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1760313697 DPECUWFEPJECIA-MGPUTAFESA-N 497.394 1.605 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1760346029 DWHGUTZHDRHYSU-HXUWFJFHSA-N 494.662 1.806 30 10 JDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760415376 WWGFLKTXIXNINI-UHFFFAOYSA-N 452.625 1.911 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1760447004 IFLRZDBGWZHXHW-SFHVURJKSA-N 489.602 1.002 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCS(=O)(=O)NC)C1 1760541476 CKXXDRPCTSJIQD-SFHVURJKSA-N 498.650 1.723 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1760552360 LHZXWJMBJLXRFW-UHFFFAOYSA-N 480.594 1.832 30 10 JDEE CCN(CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C)S(C)(=O)=O 1766873710 CGORMIHJYHMRQK-QGZVFWFLSA-N 489.602 1.067 30 10 JDEE CCN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)C(C)C 1766889965 DVXHXTCEISOBFX-MSOLQXFVSA-N 466.594 1.336 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@](F)(C#N)C1 1768521941 BZRHVXQIITUDHL-FQEVSTJZSA-N 458.523 1.669 30 10 JDEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2nccnc2C)CC1 1769157785 HWRRXWGAVCETKB-UHFFFAOYSA-N 490.568 1.801 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc(Cc3cccnc3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1770730898 GMTXBUJQZDNVHL-LPHOPBHVSA-N 453.444 1.969 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1772660406 SHMOPLSQIRLLFX-HSZRJFAPSA-N 481.582 1.903 30 10 JDEE C=CCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1861497177 WDHQCRPGTFMBMH-SFHVURJKSA-N 473.501 1.611 30 10 JDEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 1862567996 GBJTYFPXFYOGDA-FQEVSTJZSA-N 482.449 1.663 30 10 JDEE Cc1nc(SCc2cc(=O)c(OCC(N)=O)cn2CCCN2CCOCC2)c(C#N)c(C)c1C 1870184956 HQWOYAARDFDZJL-UHFFFAOYSA-N 485.610 1.919 30 10 JDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(Oc2ncccc2C#N)CC1 1891978679 VOUBAXPBALGBGE-SFHVURJKSA-N 459.528 1.781 30 10 JDEE NCC(=O)NCCCOCCOCCOCCCNC(=O)OCC1[C@H]2CCC#CCC[C@H]12 2049382401 MZZHRBCWKALCAE-PMACEKPBSA-N 453.580 1.057 30 10 JDEE CC(C)(C)OC(=O)N[C@](C)(CO)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255794619 NTRKELSNWDZGRH-IBGZPJMESA-N 476.426 1.601 30 10 JDEE Cn1cc(C(=O)N=S2(=O)CCN(C(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2267177578 PKTOXVIMZQRSJJ-UHFFFAOYSA-N 468.385 1.578 30 10 JDEE CC1(C)OB(c2cncc(S(=O)(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)c2)OC1(C)C 2267376452 WEGOVNXZEPVXED-KRWDZBQOSA-N 463.287 1.212 30 10 JDEE Cn1ncc(C(=O)N2CCOC[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267511045 WENAQBOTKZZPTB-AWEZNQCLSA-N 450.345 1.085 30 10 JDEE CON(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C)C1CN(C(=O)OC(C)(C)C)C1 2267529369 ZENKPWGNNMBZDY-UHFFFAOYSA-N 450.345 1.651 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC[C@@](C)(NC(=O)OC(C)(C)C)C2)n1 2267706060 QLTZDZAMKFPLAF-HXUWFJFHSA-N 470.401 1.397 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC3(CC3)C2)n1 2281954987 FIYQQYJVCBNPKZ-CQSZACIVSA-N 461.372 1.634 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[C@H]1CCN(Cc2ccccc2)C1 2282335635 RZKOTUAISCKCDC-IBGZPJMESA-N 474.436 1.910 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2(C)C)n1 2282660082 UWQQUPUNJRGXKQ-UHFFFAOYSA-N 463.388 1.976 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C12CC2 2282856571 VAHLPKNSWZAACB-AWEZNQCLSA-N 482.412 1.540 30 10 JDEE C=CCc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)cc(OC)c1O 2297056559 HTBORDKFRLPJDH-UHFFFAOYSA-N 469.523 1.997 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@H]1NC(=O)OCc1ccccc1 2300275193 ZWSOTCCUSIZDPM-IAGOWNOFSA-N 454.336 1.907 30 10 JDEE COc1ccccc1/C=N/Nc1nc(SCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)n[nH]1 21080193 HURIYONLGAXQOB-ZVBGSRNCSA-N 451.468 1.874 30 10 JDEE N#Cc1ccccc1N1CCN(Cc2cc(=O)[nH]c(N3CCN(C(=O)c4ccco4)CC3)n2)CC1 35926545 FFINNSMJDPNKDW-UHFFFAOYSA-N 473.537 1.519 30 10 JDEE CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)/C=C\c1ccc(OCC#N)c(OC)c1)n2C 97998057 RMHLKFNXNNAGJY-CLFYSBASSA-N 467.482 1.891 30 10 JDEE Cn1c(O)nc(=O)c2c1nc(NN=Cc1ccccc1O)n2C[C@H](O)COc1ccccc1 253531325 HTRIETJBTOLKLR-HNNXBMFYSA-N 450.455 1.427 30 10 JDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 609052640 LBNMSEGKBIRVSO-UHFFFAOYSA-N 485.566 1.565 30 10 JDEE COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NCc1ccc(C#N)cc1F 609256026 SHXTXERZKRPRRY-UHFFFAOYSA-N 453.474 1.348 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)CSCc2nc(O)c3c4c(sc3n2)CCC4)CC1 612644468 CGNFSXCXEUOKIY-UHFFFAOYSA-N 461.613 1.565 30 10 JDEE C#CC[C@H](CO)NC(=O)c1cc(I)cc(I)c1O 717792967 FFSRIGCDZBZMGL-MRVPVSSYSA-N 471.032 1.715 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1-c1ccc(OCC)cc1 839265817 YTJUWCJNDRKDSD-UHFFFAOYSA-N 498.568 1.684 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(C)(F)F)c1 1286309276 PYTBWLLZDWXENI-AWEZNQCLSA-N 468.530 1.990 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1286322005 BZKOJSOMMPHFNS-GOSISDBHSA-N 473.603 1.417 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCNC(=O)OC(C)(C)C)CC1 1286473380 RQBNHBPIBLPSND-QHCPKHFHSA-N 462.595 1.599 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](Cc2ccccc2)OC)CC1 1286485481 NANVDUZLEMSBNE-OAQYLSRUSA-N 466.586 1.640 30 10 JDEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286593256 LFTCTPIAPFQZAT-UHFFFAOYSA-N 474.635 1.936 30 10 JDEE C=C(C)COCCn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286614445 RXVRXGDUJAKKGX-KSZLIROESA-N 478.594 1.593 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(N3CCOCC3)CCSC2)C1 1286797857 CSRDHNODBUDISN-AVRDEDQJSA-N 464.636 1.406 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1300489569 PGFRERKASBKSIP-QGZVFWFLSA-N 474.583 1.894 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(OCCO)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1300491734 IKFARTMPYDUGJR-IBGZPJMESA-N 474.583 1.600 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1CC1(OCCOC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300491785 ISYVVDAKCOMUHY-HXUWFJFHSA-N 480.631 1.775 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCN(C)C2)CC1 1300709851 INQXQZJBXKERIH-JOCHJYFZSA-N 479.412 1.986 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(OC)CCOC2)CC1 1300732186 YQKNFOUHJVRKMX-RUZDIDTESA-N 467.570 1.937 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1300951927 ARLWIOVYJNMMHI-GOSISDBHSA-N 481.648 1.274 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1301436304 ZZPKRPYUKDOEKN-INIZCTEOSA-N 453.590 1.395 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1301491551 SWDMVEVGJPXSIL-UHFFFAOYSA-N 453.469 1.481 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1301499545 BVDOMRJPURUYAT-MJGOQNOKSA-N 492.577 1.046 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCCN(C(=O)C2CC2)CC1 1301585448 BAYQQFMGIHHYTR-UHFFFAOYSA-N 478.644 1.683 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1301587626 WDGQAVJBZAIYJD-MCPYQZEQSA-N 451.618 1.832 30 10 JDEE CC(C)C1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(c3ccc(C#N)cn3)CC2)CC1 1303861609 GZBFTHYTKKJAFL-KRWDZBQOSA-N 472.619 1.918 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCNC(=O)[C@@H]3CC(C)C)nnc12 1306837323 XHTPUTPBINTDCP-KRWDZBQOSA-N 454.556 1.695 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCN(C)C1 1316089368 FTYYYUZWDUBTEC-RUZDIDTESA-N 478.601 1.731 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1358912573 TXODENNOTPHDHT-IBGZPJMESA-N 463.604 1.059 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1358955090 DMINLTFFNBEYAP-CABCVRRESA-N 450.590 1.303 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358961929 HHTXOGZKBLDEPZ-ICSRJNTNSA-N 466.604 1.732 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1358966116 ICGBFMUCRLXCDO-RTWAWAEBSA-N 473.647 1.641 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1359048640 XJWKXYVFBJTHHP-MRXNPFEDSA-N 460.608 1.611 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1359057213 VJGQEBIOJQWOGE-MRXNPFEDSA-N 482.701 1.550 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(CCOC)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1359104387 ATUPUJDBDXJFRM-PTLVVNQVSA-N 477.606 1.595 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1359284234 ARDIYYNYKPKIMO-QGZVFWFLSA-N 469.571 1.932 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(CCC)C(=O)C1 1359294239 OQFLAJGTMCHSNZ-UHFFFAOYSA-N 464.368 1.787 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1359299752 MTNBJWQOEYUQLU-IRXDYDNUSA-N 458.567 1.303 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359329456 JJXBQMSRGDUZKJ-AWEZNQCLSA-N 452.968 1.651 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1359332416 WZTHUJPJRDRQEI-WSTZPKSXSA-N 494.662 1.156 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1359336997 HUIQVBOCUUZIJN-GOEBONIOSA-N 455.610 1.119 30 10 JDEE CC(C)CC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1359895408 CADQKRHBILHHCE-HLIPFELVSA-N 456.613 1.394 30 10 JDEE COCC[C@@](C)(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1504750401 GBLXKEVXIUNUOM-LAUBAEHRSA-N 462.938 1.378 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CN(CC(C)C)CCO2)c1 1507551020 UDRFAUZOKHZBAF-YADHBBJMSA-N 493.612 1.642 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1507564851 YELPBULTQYEALU-FCHUYYIVSA-N 498.609 1.864 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1507587762 ABNLCCLMRGAUFA-RTWAWAEBSA-N 473.599 1.472 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)CN1CCN(CC)CC1 1507606519 OOFHJCWZEKEDOR-LJQANCHMSA-N 458.632 1.692 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1507844297 HLPSBRLZCUQXKU-IBGZPJMESA-N 455.563 1.933 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCCC1(C)C 1508039979 RXTHIEURVSUPGD-LAUBAEHRSA-N 471.624 1.191 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1508071948 ADAQVNMRGHWEPF-QGZVFWFLSA-N 472.981 1.878 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1508078854 KNJCYXLSIONJKB-UHFFFAOYSA-N 483.598 1.704 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1508094078 MKEVIQSRBZGYDC-UHFFFAOYSA-N 469.521 1.917 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](CC)C2)cc1 1508101096 TTXRXYQBWOBCOX-CTNGQTDRSA-N 491.614 1.839 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C)C(=O)C1 1508132561 ZPMALTOKEXSMSD-GOSISDBHSA-N 461.588 1.914 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1508135134 YYZKPAZSSDLJMU-YLJYHZDGSA-N 490.630 1.436 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1508137348 ZLAJWARIPOLIDE-QFIPXVFZSA-N 475.571 1.422 30 10 JDEE CCN(CC)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1515479196 DJQIKAFFOJYQQG-IBGZPJMESA-N 450.547 1.679 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1539219718 MERIJFKHRKREJV-LJQANCHMSA-N 473.990 1.831 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC2CC2)nc1 1539325386 HYQWTJOXIYRVCU-OAQYLSRUSA-N 498.609 1.306 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)cc1C 1539416700 SBXFUDBKHOEQIL-OAQYLSRUSA-N 490.630 1.120 30 10 JDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCc2nccn2C1 1539420977 LROIOBUGHPXPJF-QGZVFWFLSA-N 453.572 1.815 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2(N3CCOCC3)CCCCC2)CC1 1539488967 FHEBJGCZDZOOOK-UHFFFAOYSA-N 472.634 1.816 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1540869078 ATCZTSHLSMSCLT-CYBMUJFWSA-N 469.468 1.381 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCSC2)C1 1540904215 LHSUQVHQFAXBQN-MAUKXSAKSA-N 460.647 1.114 30 10 JDEE Cc1ccc(S(=O)(=O)NCCn2c(CN3CCCC3=O)nnc2N(C)C[C@H](C)C#N)s1 1542502060 CBAIUCGNGWMRCW-CQSZACIVSA-N 465.605 1.345 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 1543230950 CRSHFUDBVTUMCZ-XUVXKRRUSA-N 459.568 1.175 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1 1545355654 HTICJMCDCFCCQH-YJBOKZPZSA-N 451.545 1.352 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1562066857 SZJBABIDEOSBRP-ZVZYQTTQSA-N 457.574 1.255 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2NC(=O)CC2(C)C)c1 1587696924 CPOQLHJJHDCBMH-IBGZPJMESA-N 477.569 1.371 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1587765017 AFTXMFPOHYRYFF-RTBURBONSA-N 481.619 1.189 30 10 JDEE C#CCN(c1nnc(-c2cc(F)ccc2Br)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1588035709 XOJDUQFQKUZYNO-CQSZACIVSA-N 483.363 1.998 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1588128566 OUTQWFAEVOMHCF-UHFFFAOYSA-N 487.564 1.420 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(-n3cccc3)sc3c2CCSC3)CC1 1588198970 CSJHXRJBMWFSGC-UHFFFAOYSA-N 450.611 1.554 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ncn(C)n2)CC1 1588891907 VASJKWARXJIMFC-MRXNPFEDSA-N 466.521 1.700 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1589567704 GDIUBZYNFAVUOO-BXWFABGCSA-N 479.628 1.874 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1594498844 YAPPSKJMLYBLCX-IIBYNOLFSA-N 482.607 1.244 30 10 JDEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1594797823 IOLHLMDNRJVKMQ-UHFFFAOYSA-N 463.542 1.337 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1595561790 BYXGKWXTQKWSER-GOSISDBHSA-N 471.562 1.296 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595603054 WMFHFNCKMTULEZ-OAGGEKHMSA-N 461.567 1.018 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCCN(C(=O)C(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1595831530 RMWIOJVBEQBEIS-QFIPXVFZSA-N 483.635 1.226 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1595928385 KJVMKVMTBMKTPD-IBGZPJMESA-N 464.530 1.252 30 10 JDEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1620162089 HBNVYMREMOVMJL-UHFFFAOYSA-N 456.572 1.843 30 10 JDEE C#CCN(CC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1)C(=O)OC(C)(C)C 1624006325 YHSXCNGBQFMSLV-WBVHZDCISA-N 461.481 1.931 30 10 JDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 1628680573 NJFZSDQOIFMDRK-RDJZCZTQSA-N 456.948 1.267 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)CC1 1643372520 PBNNEMZETYIGDA-UHFFFAOYSA-N 450.542 1.053 30 10 JDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCC[C@H]2C(=O)N2CCOCC2)CC1 1652437381 GXWHIYGRLJVOQN-VXKWHMMOSA-N 457.550 1.248 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CCCCC1 1689853224 QGFNAEUXTXGDGS-CDXJDZJCSA-N 453.609 1.400 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCCCC2)c1 1689868802 QTNTUIWBQNLAGG-SFHVURJKSA-N 487.630 1.430 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccnc(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1689987905 FEEBULCSZPUYET-INIZCTEOSA-N 477.497 1.350 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1689993356 BFVNMXQOJLYMOZ-HXUWFJFHSA-N 457.600 1.605 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1689999995 OVNYBOGSXWZUCU-AZUAARDMSA-N 471.583 1.486 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNc1nccc(C(F)(F)F)n1 1690032964 NJWGZFUXJFFWLJ-CQSZACIVSA-N 484.508 1.272 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1OCC(F)(F)F 1690102353 IWPASMOLVORFOI-HNNXBMFYSA-N 452.437 1.700 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCNC(=O)C2CC2)CC1 1690142036 GPVZCKJUEMMBSJ-UHFFFAOYSA-N 450.543 1.446 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(OC)c2)CC1 1690655166 JISSXQUFBLCHTC-UHFFFAOYSA-N 453.547 1.152 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(N)=O)C1 1690682593 SYNGMPCRAGGLAI-NVXWUHKLSA-N 462.576 1.203 30 10 JDEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1693854517 GCRYKIZVBRGZBC-KRWDZBQOSA-N 492.627 1.332 30 10 JDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1 1697697880 DUKLQUFTIGHLGB-PZJWPPBQSA-N 488.614 1.987 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1705524591 PJTYWPLDZVWTCZ-INIZCTEOSA-N 479.006 1.804 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705558628 CYKIOCPGMMRPEQ-AOIWGVFYSA-N 465.620 1.496 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1705568513 OVBAGBSNINGIJX-IRXDYDNUSA-N 465.645 1.559 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccc(F)c1)N(C)C 1705582658 GRHAJIQELPEBDR-RTWAWAEBSA-N 488.589 1.126 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)CC1 1705641958 ABBLAXQRZGMGHU-UHFFFAOYSA-N 463.586 1.595 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(F)(F)F)CC1 1705662155 RQFKQLOWVBOLOF-HNNXBMFYSA-N 479.550 1.676 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1705725916 XZBWPRGNTMRHMA-GOSISDBHSA-N 462.576 1.183 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1705903472 WTHWSMPHXAFBMX-UXHICEINSA-N 478.663 1.575 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCNS(C)(=O)=O)C1 1705922931 VXPNSOBZZTXBPR-HNNXBMFYSA-N 473.559 1.315 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(=O)C(C)C)CC1 1705934251 GOYGAJFSPVQBKE-UHFFFAOYSA-N 492.602 1.348 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCN(C)C(C)(C)C1 1706067935 BIEYTPBJXXZQTQ-GOSISDBHSA-N 473.647 1.970 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCc1ccc(F)cc1 1706886799 DBZVBMPPSRAOCV-QGZVFWFLSA-N 498.588 1.863 30 10 JDEE C[C@@H]1N(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CCOC1(C)C 1708272579 FIKWZHBCIAMNMC-KRWDZBQOSA-N 454.531 1.591 30 10 JDEE CCn1cnnc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1710193939 FETVQIKMQYLYNU-MRXNPFEDSA-N 455.910 1.250 30 10 JDEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1711021133 DVWIYSXNUIQNJN-HXUWFJFHSA-N 488.614 1.873 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722366521 RIGDTSUXZFAAEQ-LJQANCHMSA-N 471.583 1.030 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1722372396 VYKBSWDYGKKXNZ-HNNXBMFYSA-N 490.636 1.596 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(COC)CCCC1 1722412979 GKZCDGWHGPBOOY-GOSISDBHSA-N 453.609 1.667 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(N)=O)nc1 1722417542 KVFRYXFOFCWQIA-OAHLLOKOSA-N 485.545 1.209 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(ccnc2O)C1 1722484492 IUAPDEKYPNTGDJ-HNNXBMFYSA-N 499.391 1.183 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)CCOCC2)CC1 1722581106 HGPYTMREVJFSGT-SFHVURJKSA-N 453.609 1.830 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722656746 IEAMBTBQSHCIRC-DEOSSOPVSA-N 478.578 1.878 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](COC)C1 1722697655 OCYQCUBGCFFWDG-INIZCTEOSA-N 461.592 1.403 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(S(=O)(=O)CC)CC1 1722700554 MCPVSSBIVNYPIV-UHFFFAOYSA-N 461.588 1.583 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCCN(C(C)C)CC1 1722701521 SHQZAYLYERUFCA-UHFFFAOYSA-N 494.688 1.866 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1722728734 XSWPKMSULSZJHW-PMACEKPBSA-N 473.599 1.970 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1722730472 TVMNUXWVPFGRFQ-AWEZNQCLSA-N 455.491 1.522 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC 1740547786 BDYVLPAAXPKCNJ-HOTGVXAUSA-N 455.581 1.479 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(C)C)c1 1740564463 NYADXIHXLSCOTL-FQEVSTJZSA-N 488.614 1.713 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC2(CC1)OCCO2 1740573271 ASEWJUJCSIKUSO-IBGZPJMESA-N 481.619 1.536 30 10 JDEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1740603312 NKLPGKSLWGBIFK-KRWDZBQOSA-N 473.780 1.980 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1740618803 KJCASPQGTFQHIV-PXNSSMCTSA-N 477.568 1.348 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1740624427 GYMUSQBBRPURPJ-KRWDZBQOSA-N 456.597 1.958 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC=C 1740639699 DYOMJWGPYNZAJB-OAQYLSRUSA-N 469.567 1.297 30 10 JDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCNS(=O)(=O)c1ccc(C)s1 1740661190 UMRNRFWABRXSCK-UHFFFAOYSA-N 450.590 1.322 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1740706825 FDWDRKGXAMBOTF-IBGZPJMESA-N 499.522 1.101 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCNC(=O)c2cccc(O)c2)CC1 1740833921 ZHOCEJJXKSMAOV-MRXNPFEDSA-N 476.603 1.816 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1740851337 TWCSVFCWRRVAMK-KGYLXKDPSA-N 497.662 1.986 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cccc(OC)c1 1740951020 AIBBAYSUZNSINJ-YJBOKZPZSA-N 462.576 1.541 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740955976 JYNGBQYAAKXPQT-UHFFFAOYSA-N 460.542 1.376 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCS(=O)(=O)NC)C1 1740970184 GPZYIHMNJLUOSJ-SFHVURJKSA-N 462.576 1.478 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCOCC2)C1 1740982964 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C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1749032302 BXEOPKGLRSWPRW-UHFFFAOYSA-N 465.583 1.710 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CCNS(=O)(=O)Cc1ccon1 1749071466 FJFXDVFAOLLOKM-HSZRJFAPSA-N 484.582 1.977 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCc2ccccc21 1749158882 MLNXPAPOXQDHQZ-NZQKXSOJSA-N 475.615 1.847 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1749457726 PAWLDQGOEJUNDL-RTBURBONSA-N 463.608 1.823 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CC(F)(F)C2)C1 1749713612 VQESRVZNDWTKOP-HZPDHXFCSA-N 461.535 1.438 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2sccc2C1 1749724615 KPGZDCMUVVEWDP-CYBMUJFWSA-N 459.619 1.113 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1760184246 HUSIIZBRAFPEMO-DLBZAZTESA-N 482.532 1.851 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-n2ccnc2)c(F)c1 1760233866 PWYLDGCKIIAQAY-HXUWFJFHSA-N 487.561 1.444 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccs1)N(C)C 1760249167 IPPZKZAJAXCDLN-SJORKVTESA-N 451.618 1.631 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](OC)C(C)C)CC1 1760258642 AMNWEXVWVMNQLA-OAQYLSRUSA-N 452.607 1.878 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCOc2ccc(OC)cc2)CC1 1760270864 CUCBUPBBWWRZFJ-UHFFFAOYSA-N 480.569 1.454 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2nnc(C)s2)CC1 1760272907 DMXHZTRPSPWWFG-HKUYNNGSSA-N 473.603 1.371 30 10 JDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1760284643 QFUHPZRNNNHRDF-LJQANCHMSA-N 462.645 1.738 30 10 JDEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760305546 JHSGANCLUZAFBR-UHFFFAOYSA-N 476.379 1.730 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1760315652 HOXICRYNPMDLKC-TVFCKZIOSA-N 489.664 1.273 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1760346333 SZDLDAYNRLHJAL-HXUWFJFHSA-N 477.635 1.917 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCCCC2)CC1 1760389441 KOAOQZGOMMFQKH-LJQANCHMSA-N 452.625 1.643 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1760397273 PSTFGSIJYAQHIY-OALUTQOASA-N 467.684 1.564 30 10 JDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1760508729 HWOSQFKREXHCLP-WMZOPIPTSA-N 451.535 1.474 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1760555753 MKOOLAJUYHVCEE-ROUUACIJSA-N 454.593 1.547 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1760558091 GEGFOABIRDABOA-JOCHJYFZSA-N 475.571 1.325 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccc(Cl)cc2)n1CC(=O)N(C)C 1763043490 DWENSKRVWOJNKK-INIZCTEOSA-N 479.976 1.987 30 10 JDEE CCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 1763908445 AZPSFMJCMSTDMB-DLBZAZTESA-N 487.634 1.845 30 10 JDEE CCN(C)C(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1766380572 ATAPUFVCTRBPDK-KRWDZBQOSA-N 460.546 1.119 30 10 JDEE C=CCNC(=O)[C@@H](CCC(N)=O)NC(=O)c1ccc2nc(Cc3ccc(OC)c(OC)c3)[nH]c2c1 1860972213 JKHUGARXOBPGMH-GOSISDBHSA-N 479.537 1.837 30 10 JDEE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C(=O)Nc2ccc(C#N)cc2)cc1 1866582675 YZXWGCKJRSAPLX-SIKLNZKXSA-N 483.546 1.974 30 10 JDEE COCCCn1c(C(=O)N2CCC[C@@H](COc3cc(C#N)ccn3)C2)cc2c(=O)n(C)c(=O)n(C)c21 1891530708 PQQJGVUPQVHNMX-GOSISDBHSA-N 494.552 1.273 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2180985440 PKXKFCDIBXRJPX-LISAXSMJSA-N 484.424 1.961 30 10 JDEE CC1(C)OB(c2nccnc2C(=O)NCC2CN(C(=O)OCc3ccccc3)C2)OC1(C)C 2248057883 WTTAZMMWTKLORJ-UHFFFAOYSA-N 452.320 1.774 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2255643319 SEPGWMPZZWHLRR-KGLIPLIRSA-N 453.370 1.542 30 10 JDEE CC(C)(C)OC(=O)NCc1nc(=NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)s[nH]1 2255644228 HBVCFTGLWHQPJF-UHFFFAOYSA-N 467.382 1.993 30 10 JDEE C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1nscc1B1OC(C)(C)C(C)(C)O1 2256628644 KTOGUKVJENXELV-JMSVASOKSA-N 455.386 1.894 30 10 JDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2267198157 URJVWRWUFWIITG-UHFFFAOYSA-N 451.304 1.232 30 10 JDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2267547027 FLOSVTHPQFZVMQ-CYBMUJFWSA-N 465.381 1.639 30 10 JDEE CCN(C(=O)OC(C)(C)C)[C@@H](C)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267708946 TYIYLWTXZAUZPN-ZDUSSCGKSA-N 473.405 1.038 30 10 JDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267717090 XGWJQWZNMLBHJM-GJZGRUSLSA-N 488.437 1.960 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C1 2267720109 IGUTYQIMPXHCEO-OKILXGFUSA-N 470.401 1.301 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268716915 HVDLMUIMMRCXBW-HNNXBMFYSA-N 451.304 1.639 30 10 JDEE 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CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 105040474 FXAUZETUHRFHBN-QFIPXVFZSA-N 466.563 1.927 30 10 JDEE CC(=NOCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)OCCO2 254576801 CTFFTRDKCAREQV-UHFFFAOYSA-N 475.523 1.858 30 10 JDEE O=[N+]([O-])c1ccc(-n2cccc2C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 254757209 FCZKORPDDILNHB-UHFFFAOYSA-N 479.501 1.690 30 10 JDEE Cc1cc(C)nc(SC2=C(N3CCN(CCO)CC3)C(=O)N(c3cccc(C#N)c3)C2=O)n1 526700667 HLSBVPDHXYJQBC-UHFFFAOYSA-N 464.551 1.452 30 10 JDEE Cc1nnc(SCC(=O)Nc2ncc([S@](=O)(O)=C3C=CC(=[N+]([O-])O)C=C3)s2)s1 606331052 CMJMLIZDCHLELK-UHFFFAOYSA-N 459.556 1.789 30 10 JDEE COc1cc2nc(C)sc2cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 608864755 RFOAXESBZACNKI-UHFFFAOYSA-N 499.574 1.957 30 10 JDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1)[C@H]1CCS(=O)(=O)C1 918754947 LUOIXNHARMEWDJ-SFHVURJKSA-N 476.576 1.783 30 10 JDEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3ccc(OC)cc3OC)n[nH]2)cn1 1084181084 QKNAZRFVUDGQJF-UHFFFAOYSA-N 460.520 1.842 30 10 JDEE COc1cc(NC(=O)CSc2nnc(NN=Cc3cccc(OC)c3O)n2N)cc(OC)c1 1084619056 OCYABIXDEYZCJL-UHFFFAOYSA-N 473.515 1.900 30 10 JDEE C#CCOc1ccc(CNC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)cc1 1222306720 IWLAWMYMWUKZSK-UHFFFAOYSA-N 457.552 1.860 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(CC)noc2C)c1 1286308376 IOLTUQQRBSUGIZ-HNNXBMFYSA-N 499.597 1.852 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cnccc2OC)c1 1286312001 SYHZFEONLKKRCR-SFHVURJKSA-N 494.577 1.688 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1286349620 KZRLVYLABLFOAR-FQEVSTJZSA-N 455.584 1.946 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1286379888 DOQJHUYGQHYFRO-IBGZPJMESA-N 464.636 1.260 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286383006 UZNAYDGWWASSHE-QGZVFWFLSA-N 472.571 1.511 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1286455575 WVPSKKUQFNHPIX-JOCHJYFZSA-N 455.515 1.669 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1286460272 CTZNUMQWDPDMIR-UHFFFAOYSA-N 470.521 1.760 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CC1(NC(=O)OC(C)(C)C)COC1 1286466342 HPYVEFNCYVAKMW-UHFFFAOYSA-N 456.547 1.644 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C)o3)n2C[C@]2(O)CCO[C@@H]2C)n1 1286470578 AINNLVSDZIAMRP-WZONZLPQSA-N 454.531 1.869 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC(C)(C)COC)CC1 1286491841 AGMIOVUBLCZDAK-LJQANCHMSA-N 479.647 1.599 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(NC(=O)OC)c2)CC1 1286494108 RTIRSAUGSWNNBT-LJQANCHMSA-N 466.542 1.974 30 10 JDEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1286530906 GBBJWVJRMYOTAC-UHFFFAOYSA-N 456.366 1.944 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@H]2C1)C(C)C 1286750672 FMZHUMIANOPDHF-XUVXKRRUSA-N 492.646 1.520 30 10 JDEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286751180 BTGYFUBIIHUWQL-QFIPXVFZSA-N 459.572 1.875 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1286791147 NTJZJUNSMRBEQO-MJGOQNOKSA-N 492.602 1.410 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2ccccc12 1300311285 RMQMLUUCKWXTQC-JXFKEZNVSA-N 456.572 1.793 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)=C(Br)C1 1300411556 UDIPHTKPKXCIDU-MRXNPFEDSA-N 472.409 1.903 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300503932 HGDZCTPUJQKXSI-NJDAHSKKSA-N 474.631 1.972 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(OC)c(OC)c2OC)CC1 1300696083 SRWJAFBGUPINNQ-UHFFFAOYSA-N 465.558 1.702 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1300733818 NWTOPFDFSPPMOA-MRXNPFEDSA-N 493.615 1.490 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](Cn2cccn2)C1 1300973326 XZCVZBYEHRKIEG-SFHVURJKSA-N 452.519 1.620 30 10 JDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1N1CCOCC1)C1CC1 1301314662 ZQEQUHVBRZGIBH-INIZCTEOSA-N 461.592 1.323 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOC2=O)cc1 1301423708 BSSVWFTUXPLVDJ-GOSISDBHSA-N 475.571 1.824 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1301478510 LXXRIKVUVCSZEK-LJQANCHMSA-N 474.569 1.938 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1301483767 WMBPKHZQWDIPAF-UHFFFAOYSA-N 478.601 1.928 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(Cc3nc(O)c4ccccc4n3)CC2)nnc1C(C)(C)C 1301518038 CYJZQUOPHMUWHZ-UHFFFAOYSA-N 464.574 1.849 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C3CCCCC3)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1301518498 HXXYOSMMQSBYPY-HSZRJFAPSA-N 460.579 1.214 30 10 JDEE COc1ccc([C@H](O)C2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)cc1 1307790420 DXLWVIBZLDITPI-QHCPKHFHSA-N 453.543 1.958 30 10 JDEE CCOC(=O)c1c(NC(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c(C#N)cn1CCOC 1310523853 CKLMPZIULPIJIZ-GOSISDBHSA-N 459.425 1.858 30 10 JDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1314537949 HBZVONPLPUJVOT-LPHOPBHVSA-N 463.560 1.404 30 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C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccco2)c1 1539037034 ADIUGIMLBDVLDG-HNNXBMFYSA-N 456.528 1.586 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1539291410 PUJHGSQWYQZTFE-VQTJNVASSA-N 495.609 1.593 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCN(CCC)C2)CC1 1539434923 XXPXRSXQWNEZPD-NRFANRHFSA-N 499.685 1.683 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCCN2CCOCC2)CC1 1539484596 WEVIOOPDAQRNRC-UHFFFAOYSA-N 465.602 1.342 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(S(=O)(=O)CC)CC1 1539616334 PRPSGDIRWUEUJB-NUJGCVRESA-N 489.664 1.273 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nc(C)no1 1539668759 DWNUSWNMVRDSCA-INIZCTEOSA-N 453.569 1.338 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1539730463 OWQYXMIZMZPUIR-ULQDDVLXSA-N 486.639 1.830 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC2(CC1)CNC(=O)C2 1540862561 DWROFAZFUHANGX-MRXNPFEDSA-N 456.522 1.966 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1540863277 SJUMYPYNOKPRQG-QWHCGFSZSA-N 456.519 1.666 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)=O)C[C@H]2C)cc1 1540877178 MVPNGNPRVDODHD-SJORKVTESA-N 476.603 1.558 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1540905226 RQUJECLJPVPWHO-OKZBNKHCSA-N 481.619 1.686 30 10 JDEE C=CCSCCn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1540922311 KJCWXLMSPXJCDT-VXKWHMMOSA-N 478.619 1.664 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CCO1 1541073989 GDFLWIRPBOLJAT-WOJBJXKFSA-N 472.571 1.125 30 10 JDEE Cc1cc(C)nc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NCC(F)F)CC2)n1 1542179329 BVFNWYFTNAYNRG-UHFFFAOYSA-N 481.511 1.932 30 10 JDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1552733481 AKJXZMZQPPRGSE-UHFFFAOYSA-N 466.546 1.155 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1587860797 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C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1595823249 MMHUECIZZIEWHQ-HSZRJFAPSA-N 473.599 1.791 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2(C(=O)OC)CCC(C(=O)OC)CC2)s1 1596211973 ROVHLRLYITURLW-UHFFFAOYSA-N 458.558 1.146 30 10 JDEE CC(C)CN1CCC[C@@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)C1 1607454755 CFKDQOYOZJNRIZ-RTWAWAEBSA-N 493.678 1.719 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1615907377 GUPPJOSDMJXCLI-SFHVURJKSA-N 487.630 1.745 30 10 JDEE COc1ccccc1N1CCN([C@@H]2[C@H]3OC[C@@H](O3)[C@@H](NC(=O)Nc3cccc(C#N)c3)[C@@H]2O)CC1 1616152866 KONIYMJNZOQGRF-DJCPXJLLSA-N 479.537 1.364 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)c1 1638289092 WYXIUTCPVQDDAN-UHFFFAOYSA-N 453.520 1.395 30 10 JDEE C#CC[C@H](COC)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1666930222 OUZJVGVXVYERGC-QGZVFWFLSA-N 450.561 1.468 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)CC1 1682984958 AUORRTQSVVDSCZ-JCNLHEQBSA-N 455.378 1.490 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1689988975 ZRGSREXGOYZVSH-RBUKOAKNSA-N 457.604 1.482 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1689996953 SBQPJDBBIROQCK-FQEVSTJZSA-N 488.610 1.724 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1689997170 XBXBETOAMYDWGV-WOJBJXKFSA-N 487.626 1.977 30 10 JDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1690086853 ATRBMICDGFLYGA-HAGHYFMRSA-N 465.620 1.666 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1OCC(F)(F)F 1690102354 IWPASMOLVORFOI-OAHLLOKOSA-N 452.437 1.700 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCCN2CC)CC1 1690132090 HGGXQSYAYZKDJE-IBGZPJMESA-N 455.632 1.899 30 10 JDEE C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1690629168 HQSVTZOQLKULTR-FQEVSTJZSA-N 484.601 1.984 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690672808 DRGVUCCOXXCCCN-XMMPIXPASA-N 465.558 1.294 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)COC)CC1 1690681280 LTHIIINIEUTPBH-UHFFFAOYSA-N 491.552 1.834 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1690722592 ORRRTBDTKDJFFQ-UHFFFAOYSA-N 486.598 1.333 30 10 JDEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1 1690827644 NKNQFQWGCVAYRM-OAQYLSRUSA-N 454.531 1.593 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1696687892 CHALVIAARIHUED-LJQANCHMSA-N 494.581 1.715 30 10 JDEE COc1cc(-c2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)N(C)C)cc(OC)c1OC 1697249862 CKYFIQJFDCAOLE-UHFFFAOYSA-N 478.575 1.602 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCN(CC)CC1 1705551961 TXOJMWGNNXXGEV-PMACEKPBSA-N 475.638 1.682 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(C(=O)NCC)c1)[C@@H]1CCS(=O)(=O)C1 1705565658 JEPVYWKHUKFYJB-NHCUHLMSSA-N 485.610 1.597 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCCS1(=O)=O 1705628730 NWDFQBGEYHHBLW-FXAWDEMLSA-N 460.556 1.844 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CC1)CNC(=O)C2 1705805643 LCGXBROFLBJMSW-QGZVFWFLSA-N 466.608 1.074 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)N1CCOCC1 1705844227 XYKFEQMGRKDOET-NHCUHLMSSA-N 490.630 1.307 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705899309 OPEFVKXPAHETTG-UHFFFAOYSA-N 450.547 1.959 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1705929700 VZQWPPIMDJFVIG-VGSWGCGISA-N 478.571 1.197 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1705937206 MINHISMXOADMHJ-INIZCTEOSA-N 456.576 1.208 30 10 JDEE CC(=O)N1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)C1 1705969994 IQBAYZLDCUXYSP-LJQANCHMSA-N 479.589 1.268 30 10 JDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1708617030 ASXHVQHINFKSFN-QGZVFWFLSA-N 475.557 1.708 30 10 JDEE CN(Cc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1711103746 GUKCZFKWPDWADA-NRFANRHFSA-N 473.580 1.976 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1711419302 BTAYSLISMWXRPM-UHFFFAOYSA-N 484.586 1.293 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1722359124 QBYYZPLAABYIQJ-UXHICEINSA-N 489.598 1.435 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(C)cc(OC)c2)CC1 1722446962 FCZVROWVDWYIJP-FQEVSTJZSA-N 485.610 1.511 30 10 JDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722458999 ZZZVSHPIHRJPAY-UHFFFAOYSA-N 494.625 1.607 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(O)cc2)CC1 1722459519 LWPYGLDEMBUTME-KRWDZBQOSA-N 461.613 1.579 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C(=O)NCCOC)CC1 1722519877 SZYYWNLNRNAPMU-UHFFFAOYSA-N 490.630 1.751 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1722556395 QTQSPHYIAPCFGL-OWCLPIDISA-N 460.000 1.300 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1722603270 HSRVJIKQHQOWNS-GOSISDBHSA-N 482.651 1.662 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722694688 DWIWWNDGDCTPCU-INIZCTEOSA-N 456.547 1.712 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3cnn(CC)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722703916 LMTXPLPSDRHPKF-WMZHIEFXSA-N 473.578 1.415 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC(=O)N(C)[C@H](C)C2)cc1 1722705373 XQZSZPXEXLMVQP-AEFFLSMTSA-N 459.572 1.460 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2F)CC1 1722726238 ZQEHFHZXHIYKGQ-UHFFFAOYSA-N 476.578 1.581 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1722726647 HLNHNQDUSYGXER-UHFFFAOYSA-N 473.603 1.357 30 10 JDEE CC(=O)N1CCCN(c2nnc(COc3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1722775819 RYDSRJIBVLCICX-GHVJWSGMSA-N 497.531 1.581 30 10 JDEE CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CCN(C)C1CCCC1 1729372044 CBOKBKJIRCHRPS-UHFFFAOYSA-N 481.601 1.898 30 10 JDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1740576695 DEOXTJDRWFEZMA-JOCHJYFZSA-N 471.650 1.435 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](COc2ccccc2)C1 1740591310 NUTUYKJSAOABLC-SFTDATJTSA-N 489.598 1.309 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740620976 JCDRXLKLQDDEOR-NRFANRHFSA-N 467.599 1.437 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccco2)CC1 1740708651 XGYVIHBOLAOEMM-UHFFFAOYSA-N 452.540 1.877 30 10 JDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1740743237 QDDMVFIRZLUYKG-LLVKDONJSA-N 458.338 1.538 30 10 JDEE C=C(Br)Cn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740747325 FDNNZXWZIUGELP-QGZVFWFLSA-N 473.375 1.509 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC1 1740917859 HPXYYIYCINHVGX-VQTJNVASSA-N 461.588 1.840 30 10 JDEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1740938698 KTMKJCCBCJJPNZ-QHCPKHFHSA-N 471.583 1.990 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1740946621 DOCUCVIJPRVWOW-CVEARBPZSA-N 480.557 1.508 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1740962123 TWTRKLVPCIJJOB-UHFFFAOYSA-N 467.603 1.697 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1740985369 GLOBWDUDTRYAOV-IERDGZPVSA-N 469.608 1.182 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OC)c1OC 1748671158 GMBIUGNMRYRDGK-MAUKXSAKSA-N 463.560 1.134 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1748717658 FNNZJRANGIVPRP-OALUTQOASA-N 465.620 1.546 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1748803952 BKXLXEHYYHWNDH-GHTZIAJQSA-N 454.593 1.370 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCNC(=O)c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1748811062 ASJVDCSNJUZWPK-LJQANCHMSA-N 496.593 1.349 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(CS(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1748811496 HZEHCNDWLDRLTG-IBGZPJMESA-N 487.607 1.493 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(C(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1748816438 ZUJUGYQCTGOPHU-RTBURBONSA-N 457.556 1.294 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)NC(C)C 1748842140 DOSSSYHPCMENFG-UHFFFAOYSA-N 495.609 1.637 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCN(C(C)=O)C1 1748882053 KQCBBFPCFBRWIW-NRFANRHFSA-N 496.637 1.917 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@]2(C)COCCO2)CC1 1749000074 MMEDGWFGMOVGBF-XMMPIXPASA-N 455.559 1.817 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2CC2)CC1 1749014710 MEFDALHJJSFBKR-IBGZPJMESA-N 472.590 1.962 30 10 JDEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@](C)(C(N)=O)C1 1749043875 LJAPTOLIUPUTGP-VWLOTQADSA-N 481.670 1.711 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1749229128 HMQHBBMOZXABTO-ROUUACIJSA-N 451.593 1.364 30 10 JDEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)CC1 1749262871 BKWFSGKARNJMTN-UMSFTDKQSA-N 486.598 1.371 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCCC2)CC1 1749744457 KXBKIBIKEYJANA-MRXNPFEDSA-N 470.665 1.646 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CCNS(C)(=O)=O)c1 1760128116 ZEHISANYAOPQDH-UHFFFAOYSA-N 487.611 1.239 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)OCC)CC1 1760147460 SHVVTHXAZYGTIB-UHFFFAOYSA-N 474.587 1.887 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C(C)C)CC1 1760321632 IREKPUMYQWWORL-GGPKGHCWSA-N 479.647 1.902 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCC(C)CC1)C1CC1 1760477357 XZJWSAAAAPQTGU-AZUAARDMSA-N 466.652 1.886 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC(F)(F)F 1761357578 FVDUWGLLLLUWJC-LBPRGKRZSA-N 458.466 1.765 30 10 JDEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)N1CCCC1 1762336720 AEPFGBVDKXMUAW-FQEVSTJZSA-N 457.604 1.773 30 10 JDEE COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)c(OC)n1 1770199846 HRYYLXBDBRCUQI-CQSZACIVSA-N 463.564 1.479 30 10 JDEE CSc1ccc(F)cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1770489860 CPASKCPFODDIOE-WFASDCNBSA-N 454.553 1.526 30 10 JDEE C=CCOc1ccccc1OCC(=O)Nc1nc(N(CCO)CCO)nn1-c1ccc(OC)cc1 1869955699 VVTMOBVMGYOFQD-UHFFFAOYSA-N 483.525 1.649 30 10 JDEE COCCN(CCOC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCNC(C)=O 1870350217 VLSNQAMTPRGAFM-UHFFFAOYSA-N 456.543 1.530 30 10 JDEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN(CCO)CCCC)cc1=O 1870561177 BYRYMKHHAMEOQS-UHFFFAOYSA-N 461.584 1.345 30 10 JDEE CC(C)N1C(=O)CS[C@@H](C(=O)NCc2nccc(N3CCOCC3)n2)[C@@H]1c1ccc(C#N)cc1 1889422887 XUCBPRRNGVVHKM-XZOQPEGZSA-N 480.594 1.895 30 10 JDEE CN1CCN(CC#CCOC2CCN(C(=O)[C@H](NC(=O)NC(C)(C)C)C(C)(C)C)CC2)CC1 1889647812 QZTVNLJXQHFTBK-NRFANRHFSA-N 463.667 1.757 30 10 JDEE CN(C(=O)C1CN(c2nc3ccc(S(C)(=O)=O)cc3s2)C1)C1CN(c2nccnc2C#N)C1 1891504670 PNVGDPFUASDCTF-UHFFFAOYSA-N 483.579 1.145 30 10 JDEE CCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180981842 BJAPPTALMWRQKQ-CVEARBPZSA-N 462.356 1.986 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255751750 CFWAFXCOTZTTRQ-OAHLLOKOSA-N 453.370 1.669 30 10 JDEE C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1nscc1B1OC(C)(C)C(C)(C)O1 2256622698 KTOGUKVJENXELV-YWPYICTPSA-N 455.386 1.894 30 10 JDEE CCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256638588 IJFOGWLPMDXWEF-CYBMUJFWSA-N 455.386 1.988 30 10 JDEE Cn1nc(C(=O)N2C[C@H](F)C[C@@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267127182 HAQDJHCVYLSRCT-ZIAGYGMSSA-N 452.336 1.797 30 10 JDEE CCC(CC)(CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2267264834 XGUNITGLDZIAPZ-UHFFFAOYSA-N 451.377 1.928 30 10 JDEE CC[C@@H](O)CN(Cc1ccccc1)S(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2267474623 YDDAWIGJMRHHIP-GOSISDBHSA-N 463.409 1.990 30 10 JDEE C=C(CS(=O)(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H](CO)[C@H]2C1)B1OC(C)(C)C(C)(C)O1 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CO[C@@H]1C[C@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)N(C(=O)OC(C)(C)C)C1 2282628337 MZDBRTMGZNVODA-HZPDHXFCSA-N 462.356 1.530 30 10 JDEE CC(C)(C)OC(=O)NC1CN(CC(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2283984965 CQKDULQHMHMMBX-UHFFFAOYSA-N 463.359 1.950 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)CC1(O)CN(C(=O)OC(C)(C)C)C1 2287303609 YZYXTZTVDXQTTO-UHFFFAOYSA-N 464.372 1.256 30 10 JDEE N#Cc1cccc(NC(=O)Cn2nc3c(N4CCN(c5ccccc5)CC4)nccn3c2=O)c1 65151733 BCVUPJPOXYFUCZ-UHFFFAOYSA-N 454.494 1.728 30 10 JDEE COc1cccc([C@H]2/C(=C(/O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCN2CCOCC2)c1 102759670 VRSBRULCZJSSCN-AGGMBTAESA-N 454.527 1.799 30 10 JDEE C/C(=N\Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1cccc(C)c1)c1ccc(O)cc1 106956387 PKKHAGKAOPCTAU-BWJYWGHISA-N 492.536 1.724 30 10 JDEE COc1cc(NC(=O)CCN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc(OC)c1OC 110473555 KFIDSIZVASGOSQ-UHFFFAOYSA-N 488.566 1.919 30 10 JDEE C#CCn1c(=NC(=O)CS(=O)(=O)Cc2ccccc2)sc2cc(S(N)(=O)=O)ccc21 254478559 XYRDFNHBVFDDKI-UHFFFAOYSA-N 463.562 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C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1540865305 BCKOFRQOCHKSLC-UHFFFAOYSA-N 457.560 1.027 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)[C@@H]1C 1540870807 XMCWFWFCJZHQJF-IRXDYDNUSA-N 475.594 1.362 30 10 JDEE C=CCOc1ccc(Cn2c(C)nnc2N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 1540877567 ZDRHADHFPVKAJB-NRFANRHFSA-N 461.588 1.830 30 10 JDEE C#CC[C@H](CO)NC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@H](C)CC 1556832739 HIPHZJVCFYJCQE-LBTNJELSSA-N 457.980 1.235 30 10 JDEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)NCC)CC1 1587739667 XREUJMQZGUABEU-UHFFFAOYSA-N 452.559 1.778 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1587765097 ARBLVRJPTINTJZ-CTNGQTDRSA-N 495.646 1.436 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1588024555 GWZLVYOBXAHYKV-PMACEKPBSA-N 476.647 1.261 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1588035651 WNHHYQSQIGEOKC-LJQANCHMSA-N 481.582 1.488 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1588050579 SPPVVDBGSHSBRW-GOSISDBHSA-N 482.566 1.753 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588055082 SCDYBMFFTYTVSV-KURKYZTESA-N 481.619 1.664 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1588069331 LVMBSSWECQNOQB-PMACEKPBSA-N 469.611 1.605 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCO[C@@H]1C 1588471973 BASRIINUUSJMHF-MRUHUIDDSA-N 465.551 1.207 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3C)n2C[C@]2(O)CCN(C)C2)n1 1588723454 NDHLVFGADMCMDS-VWLOTQADSA-N 463.586 1.803 30 10 JDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H](C)CN2CCOCC2)CC1 1588857515 OXGBSAJGZLNRBQ-JOCHJYFZSA-N 466.630 1.795 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(C)c(OC)c2)CC1 1588930487 XKRODBJFAAKDTE-NRFANRHFSA-N 499.637 1.706 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC(=O)NC2CCCCC2)CC1 1588954180 BFJXTXITCATQBM-UHFFFAOYSA-N 463.586 1.679 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(C)(C)C1 1589069752 NOWZKIYBEYZYFL-HNNXBMFYSA-N 459.663 1.309 30 10 JDEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1593752841 RBPQESFKOVPOSN-UHFFFAOYSA-N 484.576 1.872 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1594679223 BEFGQISRTYNYCL-QGZVFWFLSA-N 453.613 1.582 30 10 JDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CNS(C)(=O)=O)CC1 1594720288 HSRHSJLXWGDKAI-UHFFFAOYSA-N 485.614 1.924 30 10 JDEE C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCCS1(=O)=O 1594895391 IGJBKCUTPPBENI-UHFFFAOYSA-N 451.549 1.629 30 10 JDEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1595386788 GIYYBBWCDINITE-UHFFFAOYSA-N 451.531 1.546 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(NC(=O)COC)CC1 1595777145 JMJRIKJKHXGODJ-UHFFFAOYSA-N 491.570 1.006 30 10 JDEE C#C[C@H](NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccc(Br)cc1 1596978925 RDJQQRSTDWLCRL-CABCVRRESA-N 452.330 1.405 30 10 JDEE Cc1cc(C)n(C[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NCC(F)F)CCO2)n1 1612508928 DTRFQKKSYLZXQC-IBGZPJMESA-N 484.511 1.917 30 10 JDEE C[C@H](CC(=O)N(C)CCn1cc(Br)cn1)/N=C1/NS(=O)(=O)c2ccccc21 1637270764 AZQJZMSMGIPTNU-GFCCVEGCSA-N 454.350 1.621 30 10 JDEE Cc1cccc(N(CCC#N)C(=O)CN2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c1C 1657558844 DTRBGZICTXJJMG-UHFFFAOYSA-N 458.588 1.599 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)n1 1659630251 JZEBMUSMDBJKGS-UHFFFAOYSA-N 455.515 1.434 30 10 JDEE C#CCN(C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC)[C@H]1CCOc2ccc(Br)cc21 1687012775 WFXHWKGCJZRJPJ-HLLBOEOZSA-N 457.346 1.730 30 10 JDEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1689926123 JMSDPFGLNMMYHC-UHFFFAOYSA-N 477.569 1.944 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689988689 UNPWOHZWNLQGDC-NRFANRHFSA-N 473.647 1.960 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1CC[C@H](C(F)F)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689991324 ZSHORZDXVPSRPW-RBUKOAKNSA-N 485.601 1.918 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC[C@]2(CCOC2)O1 1690006567 SVOYCMMFJYMZRY-HYBUGGRVSA-N 483.594 1.606 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN/C(O)=C1\N=CC=CC1=O 1690009602 CWMIWCCMTYBVFJ-XTQSDGFTSA-N 458.478 1.316 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)n1 1690109174 JDGCBHPSAPQIAM-KBMIEXCESA-N 475.553 1.839 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2([S@@](C)=O)CC2)CC1 1690137177 PFGVVSCWTSUDKK-JGCGQSQUSA-N 462.620 1.073 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690236285 KWJFQQPIJYEWNR-SCTDSRPQSA-N 489.602 1.377 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690237122 VROZHGZILTXMQI-NJAFHUGGSA-N 453.609 1.801 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1690288237 NYJSSCFBSOIKCX-PMACEKPBSA-N 477.587 1.774 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C(C)C)CC1 1690669179 WZTICKUIBBLIJD-UHFFFAOYSA-N 478.601 1.898 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCCCO1 1690672090 HHNFRRYRCODOBL-ZWKOTPCHSA-N 478.594 1.894 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1690672995 KIUCQOLYVYZPDI-HXUWFJFHSA-N 469.565 1.053 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ccccn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690678370 ULXVUUIUAHUVOF-HSZRJFAPSA-N 455.563 1.343 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccs2)C1 1690699500 FXAVWXNNTPEIAP-AEFFLSMTSA-N 467.617 1.697 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H](C)N2CCCCC2)C1 1690700662 VWUHNFUCKZVTFI-HBMCJLEFSA-N 496.678 1.657 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C)C(=O)[C@@H]1C 1690717807 RGAYYNDQEHESQQ-INIZCTEOSA-N 469.571 1.603 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1690723383 PVNHAMURBVQMDE-JKSUJKDBSA-N 464.592 1.526 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1690724860 XRQVAYLOCGGFFO-QUCCMNQESA-N 462.572 1.969 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@H]1CCCOC1 1690726987 RVFMLANCXRLGFF-GOSISDBHSA-N 458.588 1.980 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N(C)CC(F)(F)F 1690729862 UIWQGMWJACOQPZ-UHFFFAOYSA-N 451.496 1.869 30 10 JDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1696630884 HUKQEKUQCNRHLK-GHTZIAJQSA-N 460.629 1.877 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCC(=O)NCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1705566166 ZQNAKIVRBZHFQO-FQEVSTJZSA-N 478.578 1.673 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1705567866 BDSMVQOENFFVDH-YWZLYKJASA-N 465.601 1.057 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CC(F)(F)Br)[C@@H]1CCS(=O)(=O)C1 1705569212 DSCRDMNSNACBHO-CQSZACIVSA-N 474.331 1.878 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCN1CCCS1(=O)=O 1705621016 OBFDUWHZKSZXLN-UHFFFAOYSA-N 474.562 1.215 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CC)s1 1705628860 RBUGBAYUJMEOBO-GOSISDBHSA-N 467.617 1.369 30 10 JDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705663092 WHDOKEPPYGMSRT-LJQANCHMSA-N 473.672 1.743 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCCS(C)(=O)=O 1705693925 MEHICCSEBFCFDQ-AEFFLSMTSA-N 462.576 1.778 30 10 JDEE C=C(Cl)Cn1c(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@]1(OCC)CCOC1 1705760784 SCHDOFYEQPYLLP-BPXKWBHBSA-N 467.014 1.672 30 10 JDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1705828281 IJYWZLHTGSPNDZ-UHFFFAOYSA-N 450.547 1.697 30 10 JDEE C=CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705941088 YNFDFPFSWZAUSA-WBVHZDCISA-N 474.562 1.623 30 10 JDEE CNC(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(c2ccccc2C#N)CC1 1711403934 AKRPOLBTZLGTCE-UHFFFAOYSA-N 461.574 1.864 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccoc2)c1 1722306047 WUPBBUIJWWJUAK-OAHLLOKOSA-N 456.528 1.586 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1722307666 TUZVMFHXLPIVTF-FQEVSTJZSA-N 478.578 1.755 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCOC2)c1 1722308720 DYHMJPDBYRDCKK-ZWKOTPCHSA-N 457.556 1.273 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1722367140 LZWHZDHYWITQNI-ZWKOTPCHSA-N 460.556 1.496 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)N1CCOCC1 1722371017 QTBLNBBVFQBNAR-UHFFFAOYSA-N 468.945 1.183 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1722371183 HRIQAXCZMKNKOZ-MSOLQXFVSA-N 454.618 1.072 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2OCCC2(C)C)CC1 1722434484 SVQAPISZTDFYNW-OAQYLSRUSA-N 486.642 1.766 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)CC)CC1 1722449111 GUJBIFGDOBKMNB-DEOSSOPVSA-N 450.543 1.856 30 10 JDEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1722488263 DTCOARVYOBFHHC-UHFFFAOYSA-N 470.393 1.868 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1722685808 NOWSNUSCCZOVPG-PMACEKPBSA-N 466.652 1.889 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2nccc(OCC)n2)CC1 1722699277 FGSPEDFYZXOABA-UHFFFAOYSA-N 498.538 1.965 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1722725095 FFEPMNCCWRJZJM-LJQANCHMSA-N 461.636 1.101 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1722728395 VMYIHBTULGRFLQ-VQTJNVASSA-N 466.652 1.337 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCC[C@H]1C 1723611702 CRPJSRADOMWEIW-GOSISDBHSA-N 451.579 1.494 30 10 JDEE CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCO2)CC1 1731012041 ALCFTQIHDGGXIS-LJQANCHMSA-N 460.560 1.379 30 10 JDEE CS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCCC2)CC1 1731013874 CDLRVWKBTABSLX-UHFFFAOYSA-N 487.630 1.733 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC1CC1 1740549242 LDCPMPKPOZTSQW-OAHLLOKOSA-N 454.556 1.475 30 10 JDEE 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461.588 1.844 30 10 JDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1748752282 UNMVBTOVAXLJJL-ZWKOTPCHSA-N 496.634 1.470 30 10 JDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(N)=O)c1 1748790574 ZORKVYGWAZJZBW-GOSISDBHSA-N 454.531 1.803 30 10 JDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CC(=O)N(CCOC)C1 1748790597 JFQHLAUBEHQJBZ-SFHVURJKSA-N 452.563 1.016 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1748808625 MIWAZEBEUKQGQU-GOSISDBHSA-N 495.609 1.734 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1748819444 OTBKOSAUEPMRNG-IBGZPJMESA-N 456.597 1.898 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1749457647 NTAACWBQIQBKLG-IRXDYDNUSA-N 460.622 1.176 30 10 JDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCSCC1 1749471611 RJZPLRNGNXFUEK-UHFFFAOYSA-N 450.634 1.866 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1749677139 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C=CCOc1ccccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C(=O)NC)C1 1301531774 WXVIUDRYVXDFEG-LJQANCHMSA-N 496.593 1.834 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2COc3ccccc3O2)C1 1301540025 YYEWWPSDLGHXDX-ZACQAIPSSA-N 463.560 1.510 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 1303459848 FDCAIJXHMRMWSO-VXKWHMMOSA-N 495.628 1.926 30 10 JDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1314700355 BDMQCSBYNGGPCR-KRWDZBQOSA-N 486.529 1.965 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccsc2)CCO1 1315006017 BGXLHMSVPHFUQV-XMSQKQJNSA-N 452.540 1.737 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1358957214 RGAHHEUMWZSUKD-AUSIDOKSSA-N 489.598 1.397 30 10 JDEE C#CCN(c1nnc(C2CC2)n1C[C@H](N1CCOCC1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358962354 OIXJHABYYLOAAB-CVEARBPZSA-N 461.510 1.045 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1358991048 MFFZGXPOZSHLNK-WOJBJXKFSA-N 454.600 1.951 30 10 JDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCN1S(C)(=O)=O 1359238113 ZJNQYIUAMPTYPS-OAHLLOKOSA-N 467.621 1.284 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(C(C)=O)CC1 1359272179 MVHPMMUSUQYXKI-LJQANCHMSA-N 466.608 1.048 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCS(=O)(=O)C1 1359275460 UWBXOYAQZZPXKQ-VQTJNVASSA-N 478.640 1.850 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1359333155 PJXLLNXAFVAHJG-UHFFFAOYSA-N 474.635 1.708 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)c1 1455798150 KSNHFUYUHVUUTR-UHFFFAOYSA-N 455.536 1.948 30 10 JDEE CC1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)CC1 1494084803 FOIWEMJGFVPINO-UHFFFAOYSA-N 460.604 1.941 30 10 JDEE CCN1CCN(CCCn2c(-c3nn(C)c(=O)c4ccccc34)nnc2N(C)C[C@@H](C)C#N)CC1 1502355935 CTNZKWFJTZPGBD-IBGZPJMESA-N 477.617 1.815 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)CC1 1502435647 IAZZULXVEWEZPG-NRFANRHFSA-N 467.574 1.556 30 10 JDEE CN(CCC1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1503585756 ALKAJOHBRUZQLN-JOCHJYFZSA-N 459.572 1.619 30 10 JDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1503792002 GIEUITDFLNTADB-UHFFFAOYSA-N 491.643 1.158 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)C[C@@H]1C 1504924759 GTCDLRYBBDXSOH-FQEVSTJZSA-N 491.596 1.941 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1507589299 VRQDVWLJWJOILU-UXHICEINSA-N 475.619 1.679 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1507628403 OFDICYGDYRBMMN-RTBURBONSA-N 472.567 1.934 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCNC(=O)[C@@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1507632554 NEAAGQRNOGJHEL-OTWHNJEPSA-N 465.620 1.351 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1507634227 XKHJXCZKQLFGJY-RTBURBONSA-N 477.631 1.447 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1507637830 BVXYMNWAGUCTNU-YVGXBJCXSA-N 464.613 1.561 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC(F)F 1507651918 CRQJOHCYTVPOQN-HNNXBMFYSA-N 464.494 1.911 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC 1507676818 QPCUTPRYWCCSIO-HDICACEKSA-N 463.604 1.946 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1507691186 ZWNVXLRNVSMAOV-HTAPYJJXSA-N 481.619 1.402 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCC(F)(F)F 1507699882 KJOKGEOUOXGGBK-HNNXBMFYSA-N 452.412 1.687 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@](O)(c1ccccc1)C(F)(F)F 1507703752 YWRFIRULHTZWSM-FQEVSTJZSA-N 453.465 1.952 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@H]1OC 1507710330 NQZZEAHEHGCSBR-YLJYHZDGSA-N 466.542 1.330 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(C)COCCO2)CC1 1507735318 RVVKANCNNUHTBR-RUZDIDTESA-N 483.569 1.734 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2(C)CN(C)C2=O)CC1 1507739622 JQCJGZGMZOMLGN-JOCHJYFZSA-N 455.588 1.078 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC[C@H]1OC 1507820784 MZYYZXRWGAZZSK-FGTMMUONSA-N 457.597 1.065 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1508080800 DSQCXTCQQXYFJQ-PMACEKPBSA-N 452.607 1.637 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1508088991 HVDJRNPPQWVUFL-IBGZPJMESA-N 456.595 1.147 30 10 JDEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1508328158 HCLRMHLQOLIDGU-FQEVSTJZSA-N 481.557 1.083 30 10 JDEE C[C@@H]1OCC[C@@]1(O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@H](C)CC#N 1509946526 HGKWRAABJXNIMZ-TYBLODHISA-N 467.618 1.921 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1517020853 ASYMLALAQGQVND-FQEVSTJZSA-N 467.555 1.681 30 10 JDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1539179141 NNQSIARKYZVOFT-PKOBYXMFSA-N 457.556 1.415 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1539216690 VTTRIOSHBAAFRM-KRWDZBQOSA-N 459.601 1.621 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1539219209 HBUYQLKAAAIYPL-RTBURBONSA-N 473.574 1.549 30 10 JDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(S(C)(=O)=O)cc1 1539259536 FJIPIWJIPZAGAN-UHFFFAOYSA-N 465.535 1.725 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cn2cccn2)cc1 1539323649 IBNIVVUTBFXEFW-QFIPXVFZSA-N 462.579 1.936 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1CCS(=O)(=O)N(C)C 1539391682 HLEFXZJBYSNKQZ-UHFFFAOYSA-N 456.547 1.934 30 10 JDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCNS(=O)(=O)CC)CC1 1539451901 DRUGOOSLHLUCLJ-UHFFFAOYSA-N 466.558 1.232 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(S(C)(=O)=O)CC1 1539614729 BMXHJWIUURGPKT-PKOBYXMFSA-N 482.651 1.649 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1540873193 QQEJKQBOIQBNPB-UHFFFAOYSA-N 459.510 1.299 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1 1541116002 HZFKONKESDEWDH-WMLDXEAASA-N 452.968 1.909 30 10 JDEE CCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1548215582 GQGIRFFQENZKIE-NRFANRHFSA-N 451.575 1.844 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)CC1 1558073158 MQGWNZFNEDQAON-UHFFFAOYSA-N 452.540 1.169 30 10 JDEE C#Cc1cccc(N(C)CC(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)c1 1559526997 QFOQQNGHNMQPMX-UHFFFAOYSA-N 457.552 1.654 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1588029787 MBMBLNUWVDTAMC-AVRDEDQJSA-N 493.655 1.792 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1588034906 NKIAICGCIQVBIY-XUZZJYLKSA-N 493.674 1.679 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588040511 NXAZLXDAVOCGHA-PMACEKPBSA-N 487.626 1.929 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1588045680 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1595562089 NLWUXBLJIFDDKN-UHFFFAOYSA-N 495.609 1.218 30 10 JDEE C[C@@H]1CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)C2)C[C@@H](C)O1 1612873433 CAJBVFKAJZQRAY-QZTJIDSGSA-N 451.575 1.983 30 10 JDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(C(=O)N(C)C)c2)CCOC1 1616260743 FMTDSTRDIBHTJJ-AUSIDOKSSA-N 454.531 1.409 30 10 JDEE N#Cc1cccc(-n2ccc(C(=O)N(CCCN3CCOCC3)[C@@H]3CCS(=O)(=O)C3)n2)c1 1616279934 BLMXXGMSSWYDRF-HXUWFJFHSA-N 457.556 1.096 30 10 JDEE COC[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CC#N)CC1)OC 1619595265 FZCMLLOCDOFABD-LJQANCHMSA-N 476.603 1.987 30 10 JDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 1657129200 SWDPQUMZGSWPKJ-UHFFFAOYSA-N 453.630 1.888 30 10 JDEE C#CCN(C(=O)NCc1cnn(-c2ccc(Br)cc2)c1)[C@@H]1CCS(=O)(=O)C1 1680648433 DWNBBHPMBMSRBF-QGZVFWFLSA-N 451.346 1.967 30 10 JDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCCN1c1cc(NC)ncn1)[C@H]1CCS(=O)(=O)C1 1689979374 ACCNNDRURWSZIZ-ROUUACIJSA-N 472.619 1.529 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1689991777 CFUJNUSRHHNSQN-QFIPXVFZSA-N 478.578 1.897 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1689993857 MTMAOHRQBDYDHR-PMACEKPBSA-N 470.599 1.814 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689997283 ZKEKGINLNSWCPO-DLBZAZTESA-N 469.608 1.697 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cc(Br)cn1 1690033006 OIYQIYBLHNLYCO-AWEZNQCLSA-N 468.381 1.010 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)c1occc1C 1690047824 ZQNDWNKWHFZOKK-SFHVURJKSA-N 457.556 1.365 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CCOC[C@@H]2C)CC1 1690139955 GHYLNLDOFUIPDJ-IBGZPJMESA-N 496.612 1.649 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCOCC)CC1 1690144366 WHQUWOSNDBZGLT-UHFFFAOYSA-N 477.569 1.677 30 10 JDEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1690227526 BAEWWJMLLVDZBL-UHFFFAOYSA-N 481.395 1.352 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1690678337 SOTJZOHCJOOVHD-ZJOUEHCJSA-N 457.579 1.959 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(N3CCOCC3)CCCCC2)C1 1690685599 AHURIECHUSSEPI-VQTJNVASSA-N 496.678 1.705 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1690723429 RJLJEUBVKFOLCK-IBGZPJMESA-N 485.676 1.977 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COc2ccccc2)C1 1690724868 XVQJMJVOJLNIKL-MOPGFXCFSA-N 494.639 1.686 30 10 JDEE COCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1697730934 BNGIELCZWQTTOP-UHFFFAOYSA-N 469.594 1.313 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(N2CCCCC2)c1 1705495858 WXBOVZLOICEDLT-QUCCMNQESA-N 487.630 1.503 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H]2COCCO2)c1 1705507297 XQZIETFXACWDEG-ICSRJNTNSA-N 487.582 1.042 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1705534142 AIVTYXBLRXWXFB-RBBKRZOGSA-N 486.642 1.735 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1705558930 MFIJXHUDSYJGEJ-SFHVURJKSA-N 465.620 1.640 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1705564311 ASYZYQWSBIKORE-MRXNPFEDSA-N 470.555 1.647 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cscc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705564649 CATOMCZYFYSXQO-HIFRSBDPSA-N 487.529 1.985 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CC1(C(=O)N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1705565490 VCSFAEWCDZDJBX-SFHVURJKSA-N 472.615 1.559 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1705569095 ZFBXOFQYCILIPO-INIZCTEOSA-N 462.963 1.124 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1705570986 VZGMWBDBPADAHD-TUNNFDKTSA-N 457.600 1.952 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N1CCOCC1 1705619707 ZGHMJHLDJYZMHW-UHFFFAOYSA-N 477.500 1.563 30 10 JDEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705665964 JMZKOHILDCCQPE-UHFFFAOYSA-N 460.579 1.573 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCNC(=O)[C@H](C)CCC)CC1 1705781703 GTHIDVXJTFLEPO-IEBWSBKVSA-N 482.651 1.566 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[C@@H]1NC(=O)NC1=O 1705864771 MLRZFGTUGJIMCB-AEFFLSMTSA-N 490.561 1.500 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1705895271 ZYKKTUQKDIEPRC-UHFFFAOYSA-N 491.955 1.473 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](OC)C1 1705907384 KTWSBVSVZIIXHX-QFIPXVFZSA-N 467.618 1.560 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2Cc2cccc(CO)c2)C1 1712705882 FBNVOTFLSZNKPV-HXUWFJFHSA-N 474.587 1.282 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1722325331 JFZNVBLTOQKSEW-IBGZPJMESA-N 486.642 1.799 30 10 JDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1722342458 PUQPSYQQRBTRBX-QGZVFWFLSA-N 464.979 1.355 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1722368505 RFVNZLATKVZGRJ-NVXWUHKLSA-N 497.499 1.803 30 10 JDEE C#CCN(c1nnc(COCC)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722369926 IRMPUWKQEARDOY-MOPGFXCFSA-N 451.637 1.952 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1NC(=O)CC1(C)C 1722394925 KSQCGTVKUMYIFH-GOSISDBHSA-N 481.626 1.924 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1N1CCOCC1 1722418832 FDZCUGLZXLLHLO-UHFFFAOYSA-N 452.559 1.485 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCOC)CC1 1722495483 XFCDVJSKHDTIPL-UXHICEINSA-N 474.606 1.474 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cn2ccccc2n1 1722517531 LJNXLLHTKWSNDV-LJQANCHMSA-N 473.603 1.904 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cn2cccn2)C1 1722582884 LIJAARTVOFYEGN-IAGOWNOFSA-N 451.597 1.593 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1722591253 MBPZTCVLFRNKEH-KRWDZBQOSA-N 472.594 1.241 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(OC)CC1)C1CC1 1722650587 FYILVYWVVWOWTB-NKELODKYSA-N 453.609 1.971 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C)(c2nc(C)no2)CC1 1722702566 PTTLXSKFKPHOLX-UHFFFAOYSA-N 453.551 1.691 30 10 JDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1722737770 QTYGNDIJNVCNLL-UHFFFAOYSA-N 456.620 1.789 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccnc(OCC2CC2)c1 1723933602 FVJZFEFYDATTKD-XOBRGWDASA-N 463.539 1.562 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H]2CCOC2)c1 1740564282 HYJLIZGHNIGWIJ-RBUKOAKNSA-N 471.583 1.663 30 10 JDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740565645 DOIFCLSISMGYCG-JOCHJYFZSA-N 498.653 1.895 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCO[C@H]1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740615957 OTAKODLTDCEMIG-IPMKNSEASA-N 479.647 1.884 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740616153 UQCUQDVZCDWNLJ-HXUWFJFHSA-N 470.599 1.277 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1740617167 NFRHOVAKZRXUMH-CMKODMSKSA-N 493.655 1.627 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1740621667 YLTMMNFRDSRIKB-INIZCTEOSA-N 464.975 1.767 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(NC(C)=O)nc1 1740634677 HGXUUZFMNDPNAJ-UHFFFAOYSA-N 452.482 1.395 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCC[C@@H]1NC(=O)NC1=O 1740646914 LNXKERKRZSNWRV-HNNXBMFYSA-N 472.347 1.497 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1740685046 AOQFLNIFNSMLNJ-QYZOEREBSA-N 495.646 1.940 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2Cl)CC1 1740696475 VIDAMYBAEARGGZ-IBGZPJMESA-N 479.006 1.068 30 10 JDEE C#CCSCCn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1740722329 GVAHVNQXJSZIAZ-HXUWFJFHSA-N 471.649 1.157 30 10 JDEE C=C(C)COCCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1740798831 BUUOVFPRDOPGIE-HSZRJFAPSA-N 458.563 1.568 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1)C(C)C 1740925978 FOLXPIRKVZZJKB-VQTJNVASSA-N 494.662 1.767 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1740953964 XRDRAAMEKXJTLS-IBGZPJMESA-N 452.559 1.999 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1740963663 SUIVGJMNRZRMAJ-NRFANRHFSA-N 492.374 1.918 30 10 JDEE CCN(CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)C1CC1 1746330733 CVLFIMUGONLSLF-SFHVURJKSA-N 487.630 1.683 30 10 JDEE CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1747683949 AKSZMYVFYFINBW-UHFFFAOYSA-N 475.619 1.161 30 10 JDEE CO[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1748381707 CPMPRBOLRVPZPE-XLIONFOSSA-N 474.587 1.482 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 1748802366 OLMDYITYGULJCX-IAGOWNOFSA-N 469.558 1.966 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCN1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1748807666 AWWJHJFPUBYVER-QHCPKHFHSA-N 498.653 1.298 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1748814211 AZRCZPQSQIUEQQ-VQTJNVASSA-N 455.584 1.715 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(=O)Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1748818234 XWBQBKXBDLLVBM-CRAIPNDOSA-N 461.519 1.187 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1748820741 IHSJGGTXNMKXGO-UXHICEINSA-N 458.584 1.735 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1748821875 VVJBYWKOHJSMOA-FQEVSTJZSA-N 482.610 1.925 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1748823794 BOTLOHYDVMDLRV-YKSBVNFPSA-N 487.626 1.113 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc(CCC)nc1C 1748892515 PVPKEWCMGCAQBP-LJQANCHMSA-N 474.587 1.371 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCS(=O)(=O)c2ccccc2)CC1 1748994712 ODHHICNHIJEZEA-UHFFFAOYSA-N 470.599 1.020 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(O)CCOC2)CC1 1749015700 JUOXRRRDQMVXEI-RUZDIDTESA-N 467.570 1.591 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1749023861 YJTTWYCXDXPQPZ-QGZVFWFLSA-N 482.676 1.484 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1749137320 XSXGBQDATNFXQU-XMSQKQJNSA-N 494.662 1.632 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccc(F)c1)N(C)C 1749487670 GOQFLBIFSSVGSK-MOPGFXCFSA-N 466.583 1.675 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](OC)C1 1749666169 IMQDTFGASRIHRN-INIZCTEOSA-N 451.531 1.592 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1749677310 VNWXOZKTPZQVAB-FYYLOGMGSA-N 481.645 1.949 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C/C=C\CC)c1 1760129069 XIBKGBAIQDAHSH-WHXUGTBJSA-N 486.598 1.633 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)(F)F 1760175656 OJOUPPAYSKJJCT-ZDUSSCGKSA-N 460.457 1.334 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1760269331 FNWBTOFTUAHISV-PMACEKPBSA-N 474.606 1.909 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)N1CCCCC1 1760294901 JBRMLZKXALKGBW-TXTKFYIRSA-N 478.663 1.868 30 10 JDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1760344857 MFSMFFUHLMWLDJ-QGZVFWFLSA-N 485.614 1.876 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(O)cc2)CC1 1760352547 RHGUXKQRXFFPJL-KRWDZBQOSA-N 464.592 1.513 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1760356797 XDCPGSBBIKQORA-KRWDZBQOSA-N 457.535 1.517 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1760373719 ATEGGYAZWLQQEP-SFHVURJKSA-N 494.017 1.833 30 10 JDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1760449918 ZAWWGOCFVVQZRI-OAHLLOKOSA-N 458.485 1.717 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1760556048 TYAKNFCKIBTPSL-DLBZAZTESA-N 452.581 1.161 30 10 JDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1760560744 DKHYCURLZYTGHF-KRWDZBQOSA-N 491.643 1.328 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)CCO1 1760673534 HJQQJOSPYXFAIC-OFNKIYASSA-N 454.531 1.231 30 10 JDEE CCC(O)(CC)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1764292269 AWNHVTRKCSKODW-MRXNPFEDSA-N 493.609 1.777 30 10 JDEE CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1766510159 HGGGSYLVZWOMSV-SFHVURJKSA-N 469.571 1.832 30 10 JDEE CCS(=O)(=O)NCCn1c(C2CCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1766727029 HQYGUVPNJZSMKK-UHFFFAOYSA-N 461.567 1.822 30 10 JDEE CCN(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)C1CC1 1766897929 CGHULRJMXRILQU-IBGZPJMESA-N 465.624 1.225 30 10 JDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H]1CCCCS1(=O)=O 1767936027 BFIYHZPBPRCEPW-IBGZPJMESA-N 458.588 1.980 30 10 JDEE C=CCN1CCN(C(=O)CN2CC3(CCN(C(=O)C(C)C)CC3)C[C@H]2c2nc(C)no2)CC1 1857662002 QAMIBHKESIAXAH-FQEVSTJZSA-N 458.607 1.720 30 10 JDEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CN1CCN(c2ccccc2F)CC1 1870582304 YACTXFWNZPUIMH-UHFFFAOYSA-N 470.545 1.733 30 10 JDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccc2C(=O)OC)cn1CCNC(C)=O 1870740799 ONEHWUHFXJRDRZ-UHFFFAOYSA-N 496.564 1.963 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)CCc3ccc(S(C)(=O)=O)cc3)CC2)CC1 1890368650 XKPOMVZIQSSYQK-UHFFFAOYSA-N 475.655 1.671 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3nn(-c4ccccc4)c(=O)cc3OC)CC2)CC1 1890555183 DFUCPWSUXVDRHB-UHFFFAOYSA-N 493.608 1.503 30 10 JDEE N#CCCNC(=O)CS(=O)(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019019706 KDRHEMLKUPTMNY-HXUWFJFHSA-N 485.518 1.423 30 10 JDEE C=CCN1C(=O)C(=Cc2c(N3CCN(CCO)CC3)nc3c(C)cccn3c2=O)SC1=S 2040470235 MWRQFKSEFOURMQ-UHFFFAOYSA-N 471.608 1.504 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2255643321 SEPGWMPZZWHLRR-ZIAGYGMSSA-N 453.370 1.542 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H](O)C1 2255943057 QHUOYBKPKXHOAC-UONOGXRCSA-N 474.410 1.306 30 10 JDEE CCC[C@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2267362215 OMFXRNQWYGODKS-CYBMUJFWSA-N 473.405 1.086 30 10 JDEE C[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C1CN(C(=O)OC(C)(C)C)C1 2267367624 WKRCYCWJZYKYHY-ZDUSSCGKSA-N 470.401 1.253 30 10 JDEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267496768 DJMHZIYMIYIXJC-GJZGRUSLSA-N 466.413 1.800 30 10 JDEE Cn1ncc(C(=O)N[C@@H]2CSCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267507262 LEEWJPRUGYLBNI-AWEZNQCLSA-N 466.413 1.802 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C[C@@H]1CO 2267534949 PFMOLRTVEOUVDS-ZIAGYGMSSA-N 467.397 1.790 30 10 JDEE CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267704252 KRPORRHEFBTAJG-QGZVFWFLSA-N 461.397 1.009 30 10 JDEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)CNC(=O)CNC(=O)OC(C)(C)C 2268650626 KBARIMFEJRCIQU-UHFFFAOYSA-N 467.397 1.647 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1CC[C@H]1NC(=O)OC(C)(C)C 2271975392 BSBMBBBZQDMCLQ-DZGCQCFKSA-N 470.401 1.301 30 10 JDEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)O2)C1 2281930882 QABSPUAHZXZPHU-AWEZNQCLSA-N 462.356 1.607 30 10 JDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@]1(CNC(=O)OC(C)(C)C)CCOC1 2282038390 IGHZHTQKQABMEV-JOCHJYFZSA-N 464.372 1.475 30 10 JDEE C[C@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2282565958 RABDDBRPJAZZQK-STQMWFEESA-N 458.290 1.639 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@]2(CNC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]1CO2 2282614086 PASIOWDNAQEANE-NYHFZMIOSA-N 460.340 1.284 30 10 JDEE CC(C)(C)OC(=O)N1CC(CCO)(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282623925 JDHKGMGXASOQAK-UHFFFAOYSA-N 462.356 1.125 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2COCC[C@]2(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2283976185 ZWNRENVJARKIOC-ASSNKEHSSA-N 480.396 1.471 30 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C=CCn1c(=NC(=O)c2ccc(S(C)(=O)=O)cc2)sc2cc(S(N)(=O)=O)ccc21 254758641 MSCILSTVPCTHEW-UHFFFAOYSA-N 451.551 1.681 30 10 JDEE Cn1c(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nnc1-c1ccccc1 524473833 LOQHDCHMMZIWLO-UHFFFAOYSA-N 450.524 1.429 30 10 JDEE CON[N+](=O)CC(=O)N1CCCN(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(N(C)C)cc1 585088998 XZVBQFRWNMETQU-NRFANRHFSA-N 462.552 1.519 30 10 JDEE CCCS(=O)(=O)Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 609070153 LXYWLFHDCSJVBA-UHFFFAOYSA-N 476.580 1.857 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(-c3ccccc3)c2C)c(=O)n1CCOC 916200582 HMACTDNFDJWAIX-UHFFFAOYSA-N 462.575 1.769 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(CCOC)c2C)c(=O)n1-c1ccccc1C#N 917797930 KUHHVEFBRVTHID-UHFFFAOYSA-N 487.585 1.641 30 10 JDEE CC(C)n1cc(C=NNc2nc(SCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cn1 1084555165 AYMNPTUWRYJYAG-UHFFFAOYSA-N 477.576 1.796 30 10 JDEE CC(C)(C)OC(=O)N1CC(NC(=O)COc2ccc(C#N)c(Br)c2)(C(N)=O)C1 1154261524 AAKFQQBQJOLGJN-UHFFFAOYSA-N 453.293 1.291 30 10 JDEE C=CCOc1ccccc1CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1209725360 KICQFDKLILVTOF-UHFFFAOYSA-N 452.554 1.751 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286381558 NDZUOSZTUSTJKS-SCTDSRPQSA-N 465.620 1.638 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 1286391426 DKGCTAMBYNGRJA-GOSISDBHSA-N 490.630 1.358 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1286399215 BMZZSUONSQGPDT-ZWKOTPCHSA-N 454.556 1.014 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(COC(C)(C)C)on1 1286408545 CWDDEHHMJLCGLV-IBGZPJMESA-N 490.586 1.035 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccc(C)c1 1286419817 GCQSVWUQJMSSNM-GOSISDBHSA-N 456.572 1.090 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOC2CCCCCC2)CC1 1286490279 JKXLBJHCAKEUQE-FQEVSTJZSA-N 456.591 1.934 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2cccc(C)c2)CC1 1286493155 LTKHECCAPGXXQT-JOCHJYFZSA-N 478.597 1.876 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1286495085 RHVFYCMPZYOXKV-UHFFFAOYSA-N 456.576 1.006 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(O)c1 1286592393 CFIIFUGOUBBSSH-GOSISDBHSA-N 451.549 1.538 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1286606320 MERJKMLOGXDBOY-IRXDYDNUSA-N 451.535 1.199 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(C)=O)C1 1286671971 CUQCJGIIBHQVAN-ZWKOTPCHSA-N 468.624 1.318 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccn(C)n1 1286749271 OHRWHWSJENDKDW-GOSISDBHSA-N 477.616 1.647 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1286790972 LQUMRQWKFCDEFT-SFHVURJKSA-N 473.572 1.666 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1286791293 XTULMBLBTJCCLY-AWEZNQCLSA-N 464.979 1.996 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](COC)C1 1286791600 XFMBRKRMFDFZAX-IRXDYDNUSA-N 464.567 1.361 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1286819356 HSWKPCPIFNDLAP-WDSOQIARSA-N 459.572 1.796 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1C 1286820007 BPBPRUSMHFXXGI-GOSISDBHSA-N 452.602 1.726 30 10 JDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300423444 PUJPGSWZOXJSMH-QGZVFWFLSA-N 464.530 1.811 30 10 JDEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1300473627 ZNZZTWPVOAQYBV-HNNXBMFYSA-N 461.320 1.677 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)cc(C)cc1C 1300672034 UDSYGEWHPQGPAA-NRFANRHFSA-N 475.615 1.671 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1300682973 UOXMUZYGXQXTRZ-GAJHUEQPSA-N 472.977 1.157 30 10 JDEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1300743648 WVBISSNEXYTRFS-AWEZNQCLSA-N 464.393 1.958 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CN1CCCC1 1300806230 RREHZYNMMSHKGO-AUSIDOKSSA-N 478.663 1.725 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1301502498 JMHLZRCXESNTJY-UHFFFAOYSA-N 466.995 1.296 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1301509639 JWGXHWLWJITBCG-NRFANRHFSA-N 481.557 1.234 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(c2cnn(C)c2)CC1 1301514642 KTFYEVMGRZUDQB-UHFFFAOYSA-N 464.574 1.782 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCS(=O)(=O)N(C)C)C1 1301541751 CLWPUKUHMJRNNX-QGZVFWFLSA-N 450.521 1.526 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNc2nccc(C(F)(F)F)n2)C1 1301555664 XYLCVZCNWGHDHD-ZIAGYGMSSA-N 466.468 1.931 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCNC(=O)[C@@H]1CC 1301567982 AYAZWLJGTQKAPZ-WBVHZDCISA-N 465.551 1.873 30 10 JDEE CCCCn1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)c(C)n1 1306718774 GAXSQBIMYWWCNU-APWZRJJASA-N 478.623 1.560 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1315066606 CQOZJRVJCDGGOT-UHFFFAOYSA-N 483.602 1.043 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCCS(C)(=O)=O 1358888311 KRZUGVASZXDEPG-ZWKOTPCHSA-N 483.635 1.912 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(C2CC2)c1)[C@H]1CCS(=O)(=O)C1 1358955950 XLMQUXCIPYGBBA-FQEVSTJZSA-N 455.584 1.969 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1358959916 SEUMFSSKGRUZKL-FTDQSSOUSA-N 492.623 1.500 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(COCC)cc1)[C@@H]1CCS(=O)(=O)C1 1358961691 DCGGCHGRCRYMGJ-UXHICEINSA-N 471.583 1.441 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1COCC)[C@@H]1CCS(=O)(=O)C1 1358963136 CJKNGGLCUZROIX-LEWJYISDSA-N 458.584 1.994 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358965111 OBRPLLIIJHNVMQ-LJQANCHMSA-N 473.574 1.680 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCS(=O)(=O)C1 1358983327 CWVVVGKTPRIYNK-OKZBNKHCSA-N 461.588 1.556 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCc2cnc3c(Cl)cnn3c2)CC1 1359030169 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C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1508143736 NDTGLZSDKRGFLU-GOSISDBHSA-N 492.671 1.946 30 10 JDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CCN1CC(F)(F)F 1512418341 FFKLBPKGBSXMNE-CQSZACIVSA-N 456.494 1.934 30 10 JDEE CCN(CC)C(=O)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1515475988 CWRBCKHLZWVFPN-IBGZPJMESA-N 450.547 1.894 30 10 JDEE CN(Cc1ncc(Cl)n1C)c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1517184838 DTVKZGDVCWRLHZ-UHFFFAOYSA-N 463.951 1.797 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1cccc(C(F)(F)F)n1 1538975133 XZUYHKPFCACCQE-OLZOCXBDSA-N 460.482 1.839 30 10 JDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1CCS(=O)(=O)N1CCSCC1 1539031434 ISAPWJAVRFRFKP-KRWDZBQOSA-N 479.628 1.702 30 10 JDEE C#CCN(c1nnc(CC)n1C[C@@H](c1cccs1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539220454 SLJLLCBWWPIOTP-ROUUACIJSA-N 463.629 1.602 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1539230554 OABFPNVORFGNNK-HYBUGGRVSA-N 488.610 1.852 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(N2CCOCC2)CCSC1 1539284431 NFDKZHQHNXEJGJ-JTAQYXEDSA-N 459.616 1.283 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(N3CCOCC3)CCCCC2)CC1 1539427977 LAWRDVUNUAUAKC-UHFFFAOYSA-N 485.677 1.987 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cc(F)ccc2N2CCOCC2)CC1 1539428929 YEAVZNRMEZSDAQ-UHFFFAOYSA-N 497.619 1.976 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1539462020 ARFZGHKLIIMMQR-KCZVDYSFSA-N 472.634 1.447 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCN2CCCO[C@H](C)C2)CC1 1539484458 PVEZZWKIQUKYPZ-OAQYLSRUSA-N 479.629 1.731 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1540864798 LGTXPUDOGWCAKW-HDICACEKSA-N 458.588 1.590 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)NC)CC1 1540899119 DOFOAIWKXKGNCU-UHFFFAOYSA-N 452.968 1.661 30 10 JDEE CC(C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1541690455 DJIZPRIIIIDNFV-HXUWFJFHSA-N 465.558 1.765 30 10 JDEE CN(Cc1cscn1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1554197152 FYRQLMQZITWOGL-UHFFFAOYSA-N 453.528 1.680 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CC2([S@@](C)=O)CC2)c1 1587697611 UZZGDSMRQSMWDC-IZPYNVOCSA-N 485.610 1.969 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1C[C@H](C)O[C@H](C)C1 1587931987 HZIPKDAVJSMBSV-KDURUIRLSA-N 474.631 1.764 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1cccc(OC)c1 1587990323 VKGPHQZEEPTHCY-LPHOPBHVSA-N 463.560 1.157 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCNC(=O)c1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1588045225 HMUFCATYULBFRC-IBGZPJMESA-N 494.577 1.405 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1588045800 QZGLAIJRGMPKBB-NRFANRHFSA-N 452.584 1.929 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588050104 PAVXBOMWZIDRGJ-KRWDZBQOSA-N 489.602 1.619 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1588068861 AXUVRHYWMRCRNW-GOSISDBHSA-N 475.546 1.149 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(OCC(F)(F)F)c1 1588083527 HBUWHBVEYVGPKG-AWEZNQCLSA-N 470.477 1.346 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cc(F)c(F)c1F 1588388248 ZKWTVDKBRHYQEQ-HNNXBMFYSA-N 475.468 1.675 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCNC(=O)c2cc[nH]n2)CC1 1588751110 IMHYJFYJXFPDIX-QGZVFWFLSA-N 482.976 1.980 30 10 JDEE C=C(Br)Cn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1589459953 ICDMWKBASRTTDL-VCBZYWHSSA-N 454.369 1.801 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1594236560 FOIXWDSHTJDLRZ-ICSRJNTNSA-N 450.653 1.609 30 10 JDEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1595021029 QQILFHSLQJHEJH-QFIPXVFZSA-N 459.572 1.852 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1595602278 IUQQGUGTXLKNRG-DEOSSOPVSA-N 499.572 1.856 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1595766581 UKPILPRKDNPXLX-FUHWJXTLSA-N 498.627 1.190 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N(C)CCS(C)(=O)=O 1595772640 FVEPORWVMOIBAJ-UHFFFAOYSA-N 491.433 1.789 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1595773386 ZPPKWFLMIWAMOV-GOSISDBHSA-N 463.585 1.431 30 10 JDEE CN(C)c1cccc(Oc2nnnn2[C@@H]2CO[C@@H]3[C@H](NS(=O)(=O)c4ccccc4C#N)CO[C@@H]32)c1 1613880047 USWJXZSNEKYVMB-VURPSTOHSA-N 497.537 1.089 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(OCCS(C)(=O)=O)cc2)ccc1F 1617362963 GLENFBJWYVLCDA-UHFFFAOYSA-N 456.517 1.966 30 10 JDEE COCCN(C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1619880671 ATLZYCHDDYGRTB-JOCHJYFZSA-N 453.591 1.554 30 10 JDEE C=CCN(C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)[C@H]1CCS(=O)(=O)C1 1658485891 JBWHNYIAKZXBIJ-XMMQZVGTSA-N 454.574 1.706 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(S(N)(=O)=O)cc2C)cc1 1665969742 PLWAMUIHVMIVMU-UHFFFAOYSA-N 452.558 1.771 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNS(C)(=O)=O 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C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@H]2NC(=O)CC2(C)C)n1 1690109542 VQLOZNHPJFWTGF-RTBURBONSA-N 455.563 1.527 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cc(C(F)(F)F)ccn2)CC1 1690111443 BUXOJXSAOJWKOQ-HNNXBMFYSA-N 485.536 1.300 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCS(=O)(=O)C(C)(C)C)CC1 1690146214 IJPSNRXOBKSXCP-SFHVURJKSA-N 465.620 1.699 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2sccc2C)CC1 1690146716 UXXFCFWRWRFTFG-GOSISDBHSA-N 475.640 1.759 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1690152660 SWPSWOLQQLYKKC-GMAHTHKFSA-N 492.580 1.746 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)CCOC 1690202747 CYEVMJQZVZXCRJ-RPWUZVMVSA-N 450.543 1.972 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1)C(C)C 1690581165 MCHSZHBWUUAIJW-DOIPELPJSA-N 490.674 1.594 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690632806 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C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1740619000 FIGZMVQDFLMYQJ-AWEZNQCLSA-N 463.976 1.828 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1740619147 MMVBJAVWQFHNPF-GOEBONIOSA-N 482.404 1.709 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 1740623232 QFEFLKOGLVYYPQ-WOJBJXKFSA-N 455.584 1.715 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(OCC(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1740623577 WXTZRWDFOVZRGG-GOSISDBHSA-N 457.556 1.085 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1nnc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 1740627091 DSPKXUHRDLWNKP-LSDHHAIUSA-N 464.617 1.954 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC(F)F 1740653082 ZEXSZCBSHKLGEX-UHFFFAOYSA-N 453.453 1.036 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(N3CCO[C@@H](C)C3)nc2)CC1 1740690697 LLFNKBKDGSDWRG-SFTDATJTSA-N 483.617 1.426 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCOCCN(C)C)CC1 1740696534 WIOAOFUQNBUMNQ-UHFFFAOYSA-N 489.665 1.726 30 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30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCN(C(C)=O)C1 1748651404 LXVAVTZESGBFBU-HKUYNNGSSA-N 472.615 1.912 30 10 JDEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1748761347 UZEUXURRUAIDNZ-UHFFFAOYSA-N 494.596 1.340 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCCCSC)[C@@H]1CCS(=O)(=O)C1 1748801786 GNOVSFCPDMWIQU-QGZVFWFLSA-N 453.634 1.674 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCC(=O)NCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748817958 UCCJDMYPMBTTOX-VQTJNVASSA-N 471.583 1.115 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1748901849 BOXDOIJDVKTLPA-FDDCHVKYSA-N 491.614 1.363 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCc2cn[nH]c2)CC1 1749006146 JJKLYDDVAPWGRI-UHFFFAOYSA-N 463.542 1.894 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(N(CC)CC)nc2)CC1 1749011012 XYKAVJNZDFUAOJ-HXUWFJFHSA-N 478.601 1.485 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCNC(=O)c2occc2C)CC1 1749016994 RXDLBXPWGIEYML-UHFFFAOYSA-N 489.580 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C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2COCCO2)c1 1300332143 YGGXRVZZBCDOGK-YKSBVNFPSA-N 469.542 1.402 30 10 JDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 1300396515 WQULVUWORDPPEW-UHFFFAOYSA-N 452.529 1.320 30 10 JDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(-n2ccnc2C)nc1)[C@H]1CCS(=O)(=O)C1 1300483323 JHVZPKIQXLKLJA-IBGZPJMESA-N 453.572 1.966 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1300484419 RUQVZEVNVGXWPA-YADHBBJMSA-N 482.610 1.290 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300487460 JSJIQVDJSJEBJG-LJQANCHMSA-N 485.610 1.983 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1300496929 WLVUDNBIUBZKGC-VQTJNVASSA-N 460.604 1.702 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1300557448 TZUGKYHSKOXEHR-JTHBVZDNSA-N 498.653 1.733 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCCS1(=O)=O 1300560974 KELJVGREFLFUOD-HXUWFJFHSA-N 474.608 1.779 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2SCCc3ccccc32)CC1 1300682647 IAOISBJXHJJRBG-XLIONFOSSA-N 474.656 1.674 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N(C)C)c(F)c2)CC1 1300710428 ARSKAVRYWBHZSC-UHFFFAOYSA-N 469.565 1.636 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1300874361 MEUNXMZDXMULDA-ISARSNTHSA-N 479.607 1.181 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300894388 AXHOSWKBRNLYOY-SQOUVECCSA-N 490.649 1.630 30 10 JDEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1301016834 CAVXHEYBNCBNOK-IAGOWNOFSA-N 458.950 1.934 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1301148801 SBUWSOCFYFQHFD-RTBURBONSA-N 457.623 1.964 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1301491898 QKFOPHSQLNMWJX-UHFFFAOYSA-N 469.565 1.521 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1301577704 NUIASFKBSUSDCJ-UHFFFAOYSA-N 475.644 1.944 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1301585754 DRDUXKZYTZLICK-GOSISDBHSA-N 475.615 1.730 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1301589858 YVNSHBCWIRHKPW-WOJBJXKFSA-N 467.636 1.669 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(F)(F)F)CC1 1301593768 UFGYGTSHTRKAMS-UHFFFAOYSA-N 475.541 1.425 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(F)c1 1301967791 GVJHKCBRHKARMJ-CXAGYDPISA-N 454.503 1.533 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358958564 QRRCWQVMVLKFLR-GHTZIAJQSA-N 452.584 1.928 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1358967056 COMRHPVATKMKPW-DLBZAZTESA-N 496.536 1.917 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](CC)NC(=O)OC(C)(C)C 1358984588 BKBCDTOPJCVTEQ-SJORKVTESA-N 466.608 1.655 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1359009475 QVTOACSKYOHQGS-LJQANCHMSA-N 453.572 1.886 30 10 JDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC1CCN(CC(F)(F)F)CC1 1359026797 KQAPHVDJPKGJBD-UHFFFAOYSA-N 456.513 1.761 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)c2cccs2)CC1 1359044747 NNCDKCHNZIIYFI-OPAMFIHVSA-N 456.572 1.164 30 10 JDEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1359055262 YETACNLGCGIHBO-UHFFFAOYSA-N 486.623 1.666 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(F)cc2)CC1 1359292309 MSCYXLVEWKLGHN-UHFFFAOYSA-N 464.505 1.693 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1359302831 VLPRNIVGPNWSCO-FQEVSTJZSA-N 468.602 1.728 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1359332036 MZPPJXWMPUSPCM-QUCCMNQESA-N 472.615 1.541 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C)[C@@H](O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359335395 KMNQCNNYHSOIHL-BDXSIMOUSA-N 483.635 1.857 30 10 JDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CC2)C(=O)C1 1359338513 YHGIGAHUILTLAF-UHFFFAOYSA-N 490.655 1.926 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1359343400 SDRTYGAILCALSL-ZWKOTPCHSA-N 466.633 1.510 30 10 JDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1503259119 GEAPGJSBQGUPRW-KRWDZBQOSA-N 460.560 1.126 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1507629233 LJXYZSFOJVJZDQ-JKSUJKDBSA-N 495.399 1.750 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(F)cccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1507633676 UMWOIRXYFDZPDF-BBRMVZONSA-N 497.499 1.645 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1507639527 KYTFTPHCXBGRHQ-IBGZPJMESA-N 471.583 1.318 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCCC2=O)c1 1507651715 BHAYTNPBEFLDFJ-LJQANCHMSA-N 451.552 1.428 30 10 JDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCNS(=O)(=O)Cc1ccon1 1507681435 UFAJFRMCCAIMJO-UHFFFAOYSA-N 496.391 1.613 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2OC(F)(F)F)CC1 1507722363 VHHQKZDPRHYCIS-OAHLLOKOSA-N 486.520 1.590 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOCCc2ccccc2)CC1 1507730792 VKETXDLSPGKXLV-QFIPXVFZSA-N 471.627 1.585 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccnc2N2CCOCC2)CC1 1507897550 RRSNAJWBPJOURA-QGZVFWFLSA-N 475.619 1.571 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOC2(CCOCC2)C1 1508070749 CFZWNHGQYMLQDE-UHFFFAOYSA-N 488.976 1.550 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2c(ccnc2N(C)C)C1 1508072204 OIBLXSRCCRECDF-UHFFFAOYSA-N 454.579 1.522 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1508086175 MARQAUXIENIZLY-UHFFFAOYSA-N 469.565 1.055 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCOC[C@H]2C)C1 1508117072 LWHKIPQPWYPVHZ-UYAOXDASSA-N 475.615 1.851 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccccc1F 1509682640 DNYCYKCUSDHBRT-MRXNPFEDSA-N 463.521 1.980 30 10 JDEE CN(CCc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1517272193 HKKZLEYMFBJVTA-HXUWFJFHSA-N 466.571 1.710 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCN1CCOCC1(C)C)[C@H]1CCS(=O)(=O)C1 1539226037 SYHXZGFUKWHYSW-FQEVSTJZSA-N 472.615 1.001 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1539231812 YKZQQVHRTVWVDP-GOSISDBHSA-N 473.628 1.888 30 10 JDEE C=CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCS(=O)(=O)N1CCSCC1 1540054980 XQWXXVZCTPXUTG-UHFFFAOYSA-N 467.617 1.963 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1540863181 QTVHBUGRWRPSIX-TXPKVOOTSA-N 456.522 1.916 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCc2nn(C)c(=O)cc2C1 1540866035 AQHOFCOWQSOEDF-UHFFFAOYSA-N 469.933 1.566 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCSCCCO)[C@H](C)C1 1540997295 CQUCETOQAZQAJQ-QGZVFWFLSA-N 458.588 1.901 30 10 JDEE CC(C)(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1541233023 BENXVNZXELKPAS-GOSISDBHSA-N 495.627 1.565 30 10 JDEE COc1ccc(OCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)cc1 1554984430 GPJOUUXEVSIVNP-NQIIRXRSSA-N 494.549 1.141 30 10 JDEE CS(=O)(=O)Cc1cccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)c1 1555800953 AXKMNAMBASCDMZ-NRFANRHFSA-N 460.535 1.435 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)cc1 1587698109 BSZZNEDYVSQRKW-FQEVSTJZSA-N 459.524 1.703 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1587823817 ZYRJVQLWDNLBBO-GOSISDBHSA-N 470.555 1.235 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588040718 PMDJPWQULNKTOJ-WZONZLPQSA-N 476.599 1.996 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1588064395 HLEYLEJOLSKGFT-ROUUACIJSA-N 451.618 1.932 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cc(C(C)(C)C)no1)[C@@H]1CCS(=O)(=O)C1 1588069294 LCLRYYAMVVDFBR-MRXNPFEDSA-N 474.587 1.361 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OC(F)(F)F)cc2C(F)(F)F)CC1 1588199537 TWHIWSAACJEXHW-UHFFFAOYSA-N 459.368 1.829 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC[C@H](O)C2)CC1 1588837441 URJZTXQPFKIUPM-ACRUOGEOSA-N 488.633 1.893 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCc2cccc(C(=O)NC)c2)CC1 1588954790 LSXJFKMNGAIKOX-UHFFFAOYSA-N 485.592 1.832 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCOC[C@@H]2C1 1593712164 UELSAIQZLZARHY-FQEVSTJZSA-N 490.630 1.309 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1594679219 BATAZFCSEAYKDH-INIZCTEOSA-N 453.613 1.581 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H](C)C(=O)NC 1595490639 VJANMFGKEIWZHI-LBPRGKRZSA-N 452.357 1.167 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1595556083 NDSMXMHRKSCJQQ-LJQANCHMSA-N 454.575 1.921 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)C1CCC(NC(C)=O)CC1 1595562412 YASUSRPNYZEADN-UHFFFAOYSA-N 464.574 1.702 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1595594657 NVHBVUHPRUEOHK-SFHVURJKSA-N 471.558 1.942 30 10 JDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(c4ccc(S(N)(=O)=O)cc4)CC3)CC2)o1 1595926833 CUBLQSSOUDDOLE-UHFFFAOYSA-N 458.544 1.067 30 10 JDEE CCCOc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1OC 1614991771 HOMODHUQQKMTKM-AOMKIAJQSA-N 477.587 1.888 30 10 JDEE CCOc1ncccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1616503371 CZFRQAYCBWANGZ-SFHVURJKSA-N 475.575 1.193 30 10 JDEE C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1629338385 CKFHABDVSNNUJT-WBVHZDCISA-N 471.963 1.349 30 10 JDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCc4c(cccc4S(N)(=O)=O)C3)C2=O)cc1 1634187500 AAWNAZHIDCXWDX-IBGZPJMESA-N 453.524 1.469 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNS(C)(=O)=O 1689850905 JDZKMISGHIOONF-DLBZAZTESA-N 468.624 1.790 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC(=O)NCC2CC2)c1 1689871981 KOVOTONMGLFBOV-UHFFFAOYSA-N 457.538 1.846 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689984070 KQXAVQWMZZIHJN-VGSWGCGISA-N 460.556 1.708 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1690112061 OYOBUSUQGNHANG-ACRUOGEOSA-N 462.639 1.645 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(C)CCOCC2)CC1 1690114705 DUYFJKBPPCPEHI-UHFFFAOYSA-N 457.600 1.921 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1690189873 FEUPKIYSOPXVDZ-KBMIEXCESA-N 478.601 1.860 30 10 JDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1690328226 HMKONYYCRSFFSE-CHWSQXEVSA-N 458.976 1.215 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690661645 CBXUHBMVPJPUFZ-CYBMUJFWSA-N 486.367 1.772 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)NC2CCCCC2)C1 1690686306 LUNBXMJFYPHFSN-WBVHZDCISA-N 454.597 1.119 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@H](C)N2CCCCC2)C1 1690700663 VWUHNFUCKZVTFI-NJDAHSKKSA-N 496.678 1.657 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)[C@@H](C)C1 1690722562 NQGZCBAIPAEFPR-IYBDPMFKSA-N 466.633 1.931 30 10 JDEE CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1690891153 FDWMLWGFSYYZDX-JSRJAPPDSA-N 499.641 1.982 30 10 JDEE CC[C@H](C)NC(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1694207947 FTYMQVLYDVQTCT-ZWKOTPCHSA-N 476.589 1.965 30 10 JDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(S(C)(=O)=O)cc2)CCOC1 1696053233 GZDIIBFTOMFIGG-SFTDATJTSA-N 463.535 1.824 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1705510249 OUJYTDJOWYPBKB-DLBZAZTESA-N 460.608 1.614 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1705524609 PQCRXZVIKLMQJI-QUCCMNQESA-N 460.604 1.157 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccn(Cc2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 1705568133 IDYZKVPRMNVIIA-NRFANRHFSA-N 468.583 1.734 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnc(C)s1 1705591093 FRRWIDQFFPAQQE-UHFFFAOYSA-N 469.596 1.867 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(F)c(F)c2)CC1 1705633383 PUTHZMAGEHKXLS-OAHLLOKOSA-N 452.531 1.164 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](CC(C)C)N(C)C)CC1 1705636345 GNOPNNSZHWFBLF-QFIPXVFZSA-N 462.606 1.652 30 10 JDEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1705661336 ZASLTWXUQRRFFV-UHFFFAOYSA-N 451.593 1.892 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1705661437 BNDWTXLFHFNZSP-LJQANCHMSA-N 491.687 1.219 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2CN2CC[C@H](O)C2)CC1 1705781251 UJXGLASRJRXZKX-AVRDEDQJSA-N 488.658 1.906 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1705898734 WCYPCAGYRJNJDN-GOSISDBHSA-N 454.575 1.945 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705937761 DFXCWZDHTADTDC-SFHVURJKSA-N 474.587 1.322 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCn2nc(C)nc2C1 1705938197 PXYXATMKAGEXOS-UHFFFAOYSA-N 461.523 1.517 30 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C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCCN2CCCCC2)CC1 1740706173 QPEOBZFNOXFYBZ-OAQYLSRUSA-N 469.634 1.851 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCO[C@H]2CCOC2)CC1 1740707276 WOYISOSRSHZQRN-FQEVSTJZSA-N 472.615 1.795 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1740782308 LZQFBXOWRJYRFA-KRWDZBQOSA-N 482.994 1.915 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1740782871 WFVLANMNXDRURD-DLBZAZTESA-N 494.584 1.898 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)CC1 1740794607 DUXIPCNEJXCDMU-OAHLLOKOSA-N 451.515 1.457 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1740821081 CLGONKVQKNDRKS-GJZGRUSLSA-N 476.987 1.078 30 10 JDEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(C(N)=O)C1)c1ccccc1 1740854752 SDNJJGDWXUOJSS-CECAUBDESA-N 460.604 1.950 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1740963829 YHDYTXPVTNLDHI-NRFANRHFSA-N 454.575 1.769 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)COC)CC1 1740988098 SQARZNXFQVOEPM-UHFFFAOYSA-N 451.549 1.179 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2ccsc2)CC1 1748292040 GJPAAYPITDFOMB-UHFFFAOYSA-N 471.612 1.750 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 1748801483 ARDZDMAHGAUOHY-SFHVURJKSA-N 459.572 1.490 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1748808644 FGZDJBUZUAPVAV-MRXNPFEDSA-N 461.519 1.553 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(S(C)(=O)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1748808970 JJAGRASSFZHKJA-MRXNPFEDSA-N 498.030 1.588 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CC(=O)NCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748811912 ODIATKRWEBPOKU-NRFANRHFSA-N 478.578 1.326 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1748817586 MUSICMGLTGTPKK-RTWAWAEBSA-N 463.648 1.921 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1748821039 LMRAEJYUSULGOP-FPOVZHCZSA-N 474.583 1.332 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1748999974 IVNGGHIJHIUGNR-NRFANRHFSA-N 466.586 1.879 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCC(F)F 1749056676 PAODFOKHLCLZCF-OAQYLSRUSA-N 480.541 1.569 30 10 JDEE C=C(Br)Cn1c(N2CC[C@@H](S(=O)(=O)NCC)C2)nnc1[C@]1(OC(C)C)CCOC1 1749113344 ZBYLPKNVBATINX-QAPCUYQASA-N 492.440 1.745 30 10 JDEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)N1CCOCC1 1749156231 SIDPCGFYIBCGLU-UHFFFAOYSA-N 454.579 1.713 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)c(OC)c1 1749489174 RXPHNKPDRSQPBV-LJQANCHMSA-N 465.576 1.493 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1749649802 BGTICYKHISKCQB-MRXNPFEDSA-N 475.544 1.880 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN2CCOC[C@H]2C1 1749660460 PRCNPPXETYAYEK-MRXNPFEDSA-N 491.390 1.539 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@H](OC)C2)cc1 1749686768 YJMKKQGJVNDKLY-RTWAWAEBSA-N 491.614 1.839 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1749725863 VVDXSWRNSARMKP-DOTOQJQBSA-N 481.525 1.862 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1749738855 ZDROSCXOIQOFGU-QHCPKHFHSA-N 473.599 1.791 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccccc1F 1751219990 CRMKMURPOJFUDT-MRXNPFEDSA-N 484.561 1.669 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1cccc(OC)c1 1760118113 YCPCIFRDSQUBAD-XLIONFOSSA-N 477.587 1.547 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1760145758 UXGRXBWYNNZMKE-INIZCTEOSA-N 476.578 1.840 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1760181435 VPCSKWGDMHWYRZ-GCJKJVERSA-N 468.620 1.618 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1760182697 LGOCRDRYIKHWMQ-HXUWFJFHSA-N 472.615 1.352 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1760191541 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C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(N2CCOCC2)CCSC1 1301424119 HIVPKWNOIWPHOB-NQIIRXRSSA-N 485.676 1.027 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1301458193 PEUAFUVVMFRMON-MSOLQXFVSA-N 498.650 1.880 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1301458570 XBDCULPMGADHAR-ZWKOTPCHSA-N 496.634 1.777 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1301483008 HGWZJAYKTMBNQC-AWEZNQCLSA-N 492.353 1.705 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1301501611 ZLCRPZOORDYRFV-FQEVSTJZSA-N 495.632 1.639 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2c(I)cnn2C)c1 1302873757 FKIUQRAKQFMPMR-UHFFFAOYSA-N 457.293 1.752 30 10 JDEE CCn1cc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)cn1 1313840337 HXKSZHSTWRPLIY-GOSISDBHSA-N 454.922 1.855 30 10 JDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1316067854 DAPICUMYDPQTHO-JOCHJYFZSA-N 467.618 1.944 30 10 JDEE 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1.455 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1359306192 YSYHBOSIDCRBAU-ZACQAIPSSA-N 473.578 1.367 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1359321531 HQJNFPXAVLAZBH-WSTZPKSXSA-N 491.589 1.445 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1359328025 QZAUERIIWGKEJG-IBGZPJMESA-N 486.598 1.740 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1359335563 OSVRLGDWHXNVSS-LJQANCHMSA-N 473.599 1.831 30 10 JDEE CC(=O)N1CCC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C#N)[C@H](c3ccccc3)C2)C1 1359368963 RQLSMNWBLRSGKB-IYERYRBDSA-N 499.641 1.890 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](c2c(F)cccc2Cl)N2CCCCC2)CC1 1455115263 MSPIJRSPANXHSI-LJQANCHMSA-N 456.971 1.618 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OCc3cccnc3)c(OCC)c2)CC1 1455116619 ZPQDHZXZSOIMQL-UHFFFAOYSA-N 458.540 1.285 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2NC(=O)CC2(C)C)c1 1507547656 NBAADAJNJJEANZ-IBGZPJMESA-N 477.569 1.485 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1507564122 MZTCPPADTVSNTR-MOPGFXCFSA-N 491.618 1.565 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1507623155 PBPHKAMNJVRWEU-IKGGRYGDSA-N 499.684 1.455 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1507630612 DBUBLSHUDHZQPK-IBGZPJMESA-N 482.566 1.753 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1507634612 ZPYZTQFBDMQRFJ-RTBURBONSA-N 459.572 1.988 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(CC)(CC)SC 1507672110 UMYMUXYKDYRYQW-GOSISDBHSA-N 467.661 1.996 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCCN2CCN(CC)CC2)CC1 1507736695 QERKQHWXJVIWGN-UHFFFAOYSA-N 480.661 1.667 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)N(C)C)CC1 1507803969 IAHHUBXDTRRFRE-GHTZIAJQSA-N 475.638 1.388 30 10 JDEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1507978441 GYIFDRZFYNQHLQ-HRAATJIYSA-N 469.608 1.564 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1508059515 WFLIAKZKZWXBJP-FUHWJXTLSA-N 468.624 1.174 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1508134930 IWXPLSVYZOCVSF-MRXNPFEDSA-N 496.387 1.949 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(=O)NC)CC1 1508148390 GZGSCOCJMNKXEY-QZTJIDSGSA-N 467.636 1.760 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)N1CCOCC1 1538982873 KOMQVEIPHSQHAZ-SFHVURJKSA-N 474.631 1.764 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1538992243 NUEPTGSJEMFYAL-FOVZNYCQSA-N 450.499 1.947 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1539072046 KDMGXEACVHPKDL-HXUWFJFHSA-N 488.570 1.885 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1539212723 RWDJDSUWYFBADM-DLBZAZTESA-N 480.974 1.649 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539213062 VFTIQIKZUWSXRA-DYESRHJHSA-N 452.584 1.926 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCC=C)[C@@H]1CCS(=O)(=O)C1 1539216459 SGACWQRVWFMOOR-QGZVFWFLSA-N 466.567 1.785 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1539403718 WTTJETBTNQONLZ-IBGZPJMESA-N 456.927 1.373 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC(N)=O 1539517775 SGIDPSCOHPBOGA-HZPDHXFCSA-N 466.608 1.653 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(S(C)(=O)=O)CC1 1539616074 NXJSDHHKOTVDSC-AEFFLSMTSA-N 468.624 1.259 30 10 JDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1539699763 FDFGBODOSDMLAE-QGZVFWFLSA-N 486.598 1.798 30 10 JDEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(=O)(=O)CC)CC1)c1ccccc1 1539766558 AHNOFOVDBLLHFB-IBGZPJMESA-N 493.655 1.802 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(c3ncccc3F)CC2)nnc1[C@]1(OCC)CCOC1 1540908538 IUGOUIQRQMLKKN-QFIPXVFZSA-N 494.593 1.392 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)CC=C)c1 1587683251 FQEPHCDDRKJNSG-UHFFFAOYSA-N 484.582 1.171 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588030203 QSUPCGVPWAMYOH-IBGZPJMESA-N 485.614 1.428 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1588065034 RTASHEHIQNWOQJ-LJQANCHMSA-N 470.599 1.958 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1588751821 NLUWDDNDCOWGFP-NZQKXSOJSA-N 457.600 1.125 30 10 JDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC(=O)NCC2CC2)CC1 1588877047 SUTKVYHPZZEPFV-UHFFFAOYSA-N 454.600 1.860 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCCn2cnnn2)CC1 1588890826 GDDJUAHEPUJZKR-NRFANRHFSA-N 461.574 1.863 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCOCC(F)(F)C(F)F)CC1 1588930138 OJSRHTXDFVYCBP-OAHLLOKOSA-N 461.460 1.665 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCCN2CCOCC2)CC1 1588955178 PXOJRZMUGANNMH-UHFFFAOYSA-N 464.614 1.751 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCC2)C1 1589494977 OVSKDLXZWUYSCT-ZRNYENFQSA-N 466.652 1.934 30 10 JDEE C=C(C)Cn1c(-c2cccn2C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1593616458 JAMIETABEABRNZ-NUJGCVRESA-N 476.603 1.986 30 10 JDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1595266135 AIKRVOYAAQCNGM-QFIPXVFZSA-N 477.587 1.336 30 10 JDEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1595366678 JPSKQJBICBHYQB-UHFFFAOYSA-N 474.543 1.788 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1595556137 OZTWYBQLIIYVBF-UHFFFAOYSA-N 497.619 1.835 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3CC)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1595755663 ZXWPTPMQVNCJPP-WMZHIEFXSA-N 476.599 1.750 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1595884726 RNFTZIZWANWBGZ-OXJNMPFZSA-N 456.634 1.874 30 10 JDEE Cc1nc(C)c(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)s1 1612380246 ALGLPZILKZOGIG-QGZVFWFLSA-N 479.632 1.667 30 10 JDEE C=CCn1c(O)nnc1S[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 1641002471 AUMUOKMKZWGZTK-ZDUSSCGKSA-N 453.546 1.310 30 10 JDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 1648890059 YDWWUOPVLHMZKK-HNNXBMFYSA-N 453.005 1.753 30 10 JDEE C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1=O 1654599887 FIPLYTUKXKWGOR-YWZLYKJASA-N 458.515 1.844 30 10 JDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 1654717219 BQKHCOSANUCINB-UHFFFAOYSA-N 450.604 1.130 30 10 JDEE Cc1ccc(NC(=O)COc2ccc(CCNS(=O)(=O)N3CCO[C@H](C#N)C3)cc2)cc1 1661604522 HPVAJADEAZOSIW-OAQYLSRUSA-N 458.540 1.614 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCNC(=O)c2cc[nH]n2)c1 1689870152 DBEANIZTWBVROV-UHFFFAOYSA-N 471.525 1.493 30 10 JDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCn1cc(CO)nn1 1689964080 FUBVTOBTQPWRHH-UHFFFAOYSA-N 458.567 1.636 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCOC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689977689 ANGJJXJQVHERDI-GOSISDBHSA-N 465.620 1.782 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccnc(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1689992027 GCZCSPIXOOTNGE-SFHVURJKSA-N 488.520 1.935 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1689996820 OYGZKQYWQIBKBX-QGZVFWFLSA-N 492.671 1.484 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1690146152 HAXAXUIRYJRJKU-NTKDMRAZSA-N 455.559 1.865 30 10 JDEE C#CCSCCn1c(C(C)C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1690155595 LUTNNFGWNOQXIL-ZACQAIPSSA-N 483.660 1.894 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1690344524 SZLDMNINSYKGBV-QGZVFWFLSA-N 462.016 1.801 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2CCOC[C@H]2C1 1690670672 GWWDHSJPMPMBAW-RBUKOAKNSA-N 489.621 1.216 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1690675370 YKYXSTGFPYUANT-UHFFFAOYSA-N 480.573 1.493 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1690715170 FKIOEQAFXDYIJJ-YESZJQIVSA-N 459.638 1.506 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1cnccn1 1690723652 XSTNLXUROFIZMG-UHFFFAOYSA-N 466.527 1.621 30 10 JDEE CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)CC1 1698313016 DPZRLBHRAVXZOH-UHFFFAOYSA-N 485.492 1.013 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CCS(=O)(=O)N1CCSCC1 1705500926 CGWUYCCKDSDDMG-QGZVFWFLSA-N 479.628 1.702 30 10 JDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705508206 ROGZRIGATSVCMG-SFHVURJKSA-N 450.609 1.425 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705565306 HSSXPQKPBPICOS-BRSBDYLESA-N 454.618 1.243 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1705569586 IKJMYZHRUIWPBN-YJBOKZPZSA-N 478.644 1.565 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705571400 ZFBVZYWMCKVMFS-GOSISDBHSA-N 463.629 1.956 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1705649385 VVYZXYBEAQORAS-OALUTQOASA-N 482.633 1.532 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCS(=O)(=O)C2)CC1 1705649524 AXVXAIZCBRDAST-QGZVFWFLSA-N 473.574 1.409 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@@](=O)C(C)(C)C 1705875602 AAXZEWUWPRKHSJ-HYDGNGQDSA-N 459.638 1.337 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705890795 JDKISCPZVZNHSZ-IAGOWNOFSA-N 484.623 1.538 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1705891042 WAXNTKNUBUUQER-WMZOPIPTSA-N 466.633 1.742 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1705931904 FOQJFCSGHXFMIF-MRXNPFEDSA-N 465.580 1.383 30 10 JDEE CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)c1=O 1710189999 GCTGFUCVFDBIPL-KRWDZBQOSA-N 481.582 1.517 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H](C)N1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1722362006 LPYRQHFDSKDZTB-YADHBBJMSA-N 484.670 1.906 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(-c3ccccc3)no2)CC1 1722431121 GCEUMTUDPXIFBF-QGZVFWFLSA-N 469.571 1.347 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1722436753 DXEJTTMFGNUZPZ-GOSISDBHSA-N 459.572 1.020 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCOC[C@H]2CCOC2)CC1 1722447866 OFTGDFHSEQOYER-CTNGQTDRSA-N 459.591 1.929 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCS(=O)(=O)CC2CC2)CC1 1722449611 WDCTXTALFRGNJM-UHFFFAOYSA-N 470.599 1.055 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NCCOC)CC1 1722477615 VNXLDIGLJIVHTI-UHFFFAOYSA-N 457.373 1.304 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1722629511 KWWXFAZFACUBEY-IBGZPJMESA-N 489.598 1.441 30 10 JDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1722647939 PSXVSXMWNOIYSW-FQEVSTJZSA-N 458.632 1.700 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCN(C)C1 1722659813 DHLSWUNAVMPRHW-GCJKJVERSA-N 463.579 1.579 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccs1)C(C)C 1722698893 OOAGQAVZXBWPHK-QGZVFWFLSA-N 482.632 1.390 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cccs1 1722698988 QBQFDPKEAMLIBS-HUUCEWRRSA-N 468.605 1.172 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC2CCOCC2)CC1 1722726282 AYZOUUCUDXNPPQ-FQEVSTJZSA-N 467.636 1.669 30 10 JDEE CC(C)(C)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1722884219 IFNVMFMLRPYFRK-UHFFFAOYSA-N 488.614 1.858 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1728648985 GCFXYGDLTUECGD-UHFFFAOYSA-N 481.557 1.970 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 1740616179 VJHJPYJGDVXANS-QGZVFWFLSA-N 486.504 1.879 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)NC(C)C 1740653318 ITSFCGYETAYJBT-UHFFFAOYSA-N 467.555 1.385 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccs1)N1CCOCC1 1740653646 SSAQYZCJOSVHQX-RBUKOAKNSA-N 452.584 1.827 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCCN2CCOCC2)CC1 1740706767 BZBCVCFWAZKESU-UHFFFAOYSA-N 465.602 1.342 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1740710020 USDUZEULMJCAFO-MRXNPFEDSA-N 494.618 1.356 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740736966 VMTWVJGVHDCEFJ-HNNXBMFYSA-N 496.410 1.872 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1740750706 TWTAEXRPVOPCIS-RBBKRZOGSA-N 487.649 1.486 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740750818 FTTMORYXPMAPSF-SIKLNZKXSA-N 496.616 1.553 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1740847298 DNIFMQCIWXQRLM-SJORKVTESA-N 452.625 1.939 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CN(C)C1=O 1740923769 UYXUFWHNGFJYNM-UTKZUKDTSA-N 494.643 1.343 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C 1740926738 JZNLFGRMUWOWPO-TZIWHRDSSA-N 478.601 1.186 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1740960250 NZPOKNPGPATMJC-MRXNPFEDSA-N 480.495 1.522 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CO)CC2)cc1 1740967393 FUAAHFQBRAUANL-NRFANRHFSA-N 491.614 1.433 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1740968431 ITXNJKZMVVYRFB-NRFANRHFSA-N 495.628 1.772 30 10 JDEE CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)O)C[C@H]2C)CC1 1741038988 HYXYSLQGLQEDBC-GCJKJVERSA-N 465.602 1.967 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N2CCOCC2)CC1 1748671232 HKNSSOXTRDLADQ-RTBURBONSA-N 474.606 1.909 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCOC[C@H]2OC)c1 1748694330 DYLHOLVMVMQMKJ-PZJWPPBQSA-N 480.569 1.508 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1748808805 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468.558 1.332 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1760564781 HJSFQLHQVWBMQR-AABGKKOBSA-N 489.690 1.965 30 10 JDEE C[C@H]1CN(C(C)(C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1763026600 HOWMINPCNYUXDV-FGTMMUONSA-N 487.630 1.886 30 10 JDEE CCCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CCS(=O)(=O)N(C)C)c2ccccc2c1=O 1764488557 AHSRXGXHOVLPHU-MRXNPFEDSA-N 486.602 1.695 30 10 JDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862603292 WNUBGMIGXUCFPW-FQEVSTJZSA-N 483.433 1.786 30 10 JDEE CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc1 1870095155 BCCYGGYRWLEWLU-UHFFFAOYSA-N 465.451 1.124 30 10 JDEE CN1CCN(c2ccc(-n3nnc(C#N)c3NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 1870098320 YOPNULCXDJLLQI-UHFFFAOYSA-N 468.499 1.600 30 10 JDEE C=CCn1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc2c(NCCOCCO)ncnc21 1875230796 OEAJMIKFHNSANF-UHFFFAOYSA-N 495.540 1.909 30 10 JDEE 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CC(C)(C)OC(=O)NC(CO)(CO)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2286173166 WJGJJLKQRAXPPX-UHFFFAOYSA-N 468.331 1.103 30 10 JDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1=O 2329013304 NSYXEFZPHJZSHA-ZDUSSCGKSA-N 489.514 1.141 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)CO[C@H]1C2 2359199946 UNTXDTOUDWOGEU-AYSMAOOMSA-N 460.340 1.787 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)n1C 2362338244 DBFLWRPUCUJFKG-IBGZPJMESA-N 453.396 1.232 30 10 JDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@H]1c1ccc2c(c1)OCCO2 72472351 VRHNGXDVQRSXHY-YOEHRIQHSA-N 465.466 1.108 30 10 JDEE CC(=O)OCC1=C[C@@H]2[C@@H]3C(C)(C)[C@]3(OC(C)=O)[C@H](OC(C)=O)[C@H](C)[C@]2(O)[C@H]2C=C(C)C(=O)[C@]2(O)C1 306146629 LASMKIAVFGUYEG-ZNCRFMRSSA-N 490.549 1.643 30 10 JDEE COc1ccccc1-n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn3ccccc23)c1=O 729671868 ZSSGHLXTUVRINE-UHFFFAOYSA-N 471.542 1.681 30 10 JDEE COCCSc1nnc(NC(=O)CSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)s1 1084400593 QSDKQRBUHLLENZ-UHFFFAOYSA-N 497.636 1.536 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(OCC(=O)NCC)c(OC)c2)c1 1141752202 CGAISYGLPHRKMG-UHFFFAOYSA-N 458.536 1.937 30 10 JDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1279985484 WZOCGKDUEVPYRF-SFHVURJKSA-N 451.568 1.274 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1286343570 WJFDZMMPZBPALD-WSTZPKSXSA-N 476.651 1.555 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1286391795 GIGLVCXUULHIRU-HOCLYGCPSA-N 483.392 1.068 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCNC(=O)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1286393273 QKUJXCGNPFBWCS-QFIPXVFZSA-N 492.605 1.629 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286396510 QDDBAUITLOVTHH-HXUWFJFHSA-N 487.626 1.978 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2cnn(C)c2)CC1 1286469484 HFXTYMAEKTUACG-UHFFFAOYSA-N 452.950 1.399 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1286473417 LRASBGDIUJHKFG-LJQANCHMSA-N 452.559 1.204 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCN(CC)C2)CC1 1286481491 WICIAPKPAMYOEC-SFTDATJTSA-N 487.649 1.684 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(OCC(N)=O)CC1 1286776190 JCGVSKFYFNTOHK-MRXNPFEDSA-N 450.540 1.243 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1286788253 SPVRFFNTDUUWBX-OKZBNKHCSA-N 480.635 1.004 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286792320 UODIMDCIISZTBY-UHFFFAOYSA-N 497.600 1.350 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CCn1c(O)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 1300483899 MYDOYKIUPMCEDR-INIZCTEOSA-N 456.572 1.958 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1300489977 WUPBEKFMPJSUSA-MRXNPFEDSA-N 496.611 1.024 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1300504670 PYWRYRIALKDJAD-WMZHIEFXSA-N 469.567 1.516 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1300504923 WBRCSSJELRVERL-OAQYLSRUSA-N 497.625 1.862 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300506563 UYQNZJFDPWMVLD-RDGPPVDQSA-N 468.620 1.690 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)N1CCCCC1 1300631261 OSKOAKZSDQJTCD-RBUKOAKNSA-N 452.625 1.335 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2nccnc2C)CC1 1300711351 YSVJUCLJTSIZFJ-UHFFFAOYSA-N 466.590 1.503 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1300883485 BLEPHHHVXRGRHR-FYQPLNBISA-N 468.620 1.793 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CCOCCN(C)C(=O)OC(C)(C)C)c1 1300942589 KKHDECJIBBSZLF-UHFFFAOYSA-N 453.561 1.554 30 10 JDEE C=C(C)COCCn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1[C@]1(OCC)CCOC1 1301001013 AVZGQBARENEXCU-QFIPXVFZSA-N 461.542 1.779 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1ncnn1CC(F)F 1301492820 OKVPCMUZLYGDDZ-UHFFFAOYSA-N 474.472 1.512 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2C)C1 1301501430 WYUHIHJUVYSXMX-HKUYNNGSSA-N 459.572 1.369 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1301508612 OFKUOZXCWHCAHV-UHFFFAOYSA-N 484.586 1.290 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)CN2CCCC2)C1 1301558588 WZZXPZXEOFRWHR-VQTJNVASSA-N 496.678 1.514 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2F)CC1 1301566763 BWMSLRWNPJVTQI-UHFFFAOYSA-N 482.557 1.622 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCNC(=O)[C@H]3CC(C)C)nnc12 1306837324 XHTPUTPBINTDCP-QGZVFWFLSA-N 454.556 1.695 30 10 JDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1358903646 FAXUPNGBGWFTOU-UHFFFAOYSA-N 479.632 1.496 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CC1(N2CCOCC2)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1358955373 KRLZGEHCSXCRTK-KDARRYODSA-N 493.674 1.472 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2cccnc2)CC1 1359041708 FTUBTKAMTNYYKT-XMMPIXPASA-N 452.559 1.534 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCOC)CC1 1359150596 BRWIVNZAMOLVEG-INIZCTEOSA-N 460.000 1.302 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)c1ccccc1F)C1CC1 1359251146 DHIVJOUHXCTDFU-IBGZPJMESA-N 492.577 1.335 30 10 JDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)CC1 1459556638 GKBYFIBIRJAUTG-PKTZIBPZSA-N 452.603 1.102 30 10 JDEE N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 1464720524 AGGAKRJMIXFTNJ-WOJBJXKFSA-N 459.499 1.717 30 10 JDEE N#Cc1ccc(NC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1Br 1466496763 CNKHKEGBIXNIJE-OAHLLOKOSA-N 457.350 1.979 30 10 JDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCCC(=O)NC1CCN(C(=O)OCC)CC1 1477384547 KQOONESSLVZTAW-UHFFFAOYSA-N 452.552 1.490 30 10 JDEE COCCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)=O)CC2)cn1 1504897641 DCTXJBWFXLKFLZ-UHFFFAOYSA-N 464.530 1.288 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507514317 QIFJEZGNLLYADS-QZTJIDSGSA-N 458.588 1.887 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@]2(N(C)C)CCSC2)c1 1507552743 SHYDXJFJLRJBGE-VWLOTQADSA-N 495.653 1.894 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 1507622068 AWPWTSIJFVTUSY-LJQANCHMSA-N 477.537 1.662 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1507623318 QWAWLHCKJYCKFV-HXUWFJFHSA-N 496.597 1.456 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NC2CCCCC2)CC1 1507715555 CVTLIEURIQDTFV-UHFFFAOYSA-N 450.547 1.130 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCNS(C)(=O)=O)CC1 1507732655 RGWYKRWKRXTYAZ-UHFFFAOYSA-N 487.413 1.468 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@@H]2CCc3ccccc32)CC1 1507735856 IMELMNMWZYBOMV-ICSRJNTNSA-N 498.653 1.974 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1507744338 RJSYGWPPQWTUCA-GOSISDBHSA-N 456.572 1.465 30 10 JDEE C=C(Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NCCOC)CC1)c1ccccc1 1507852598 VMQJMKCQHYWRNU-UHFFFAOYSA-N 462.558 1.333 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@@H]1C)C(C)C 1508015033 ZVJMIFUINIBJML-ILWGZMRPSA-N 492.690 1.936 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1508058683 DCNWREFKSUILGO-CVEARBPZSA-N 465.580 1.687 30 10 JDEE COC1(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CCC1 1517918047 FZKFQDIBXXAIPY-UHFFFAOYSA-N 474.587 1.770 30 10 JDEE COC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)OC 1518725797 BTOSQMIFWOOTIG-UFYCRDLUSA-N 475.571 1.291 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2=CCCOC2)c1 1539043141 NQNMNTNJPYBWIV-IBGZPJMESA-N 469.567 1.583 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1539490543 DSQKLPPEZJCFIQ-UHFFFAOYSA-N 468.587 1.630 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2C)nc1 1539539790 YSLWCTBGSNWRSH-KSFYIVLOSA-N 468.587 1.818 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1539965815 BJDLYYAUQOBEAH-KNQAVFIVSA-N 493.634 1.453 30 10 JDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539999431 HQGKBUKOXNTABL-UHFFFAOYSA-N 492.584 1.331 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](Cn2cccn2)C1 1540864158 RCEHEKNZPLMYCJ-INIZCTEOSA-N 489.378 1.450 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1540892677 QBIXFWRPJHPFCU-SJORKVTESA-N 497.618 1.255 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1540899911 DWVVSVLCYWCTLQ-HXUWFJFHSA-N 470.599 1.576 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1540900071 KJKKXXANRZRVQZ-FQEVSTJZSA-N 472.571 1.656 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCSC2)C1 1540904221 LHSUQVHQFAXBQN-YJBOKZPZSA-N 460.647 1.114 30 10 JDEE C=CCSCCn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1540922309 KJCWXLMSPXJCDT-FCHUYYIVSA-N 478.619 1.664 30 10 JDEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCC(=O)N1CCOCC1 1548161051 DLCWXMJZMKVSPE-UHFFFAOYSA-N 467.574 1.652 30 10 JDEE CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1548317400 AUZVCLMNGJSDRO-LJQANCHMSA-N 453.528 1.619 30 10 JDEE CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1555804831 HHCYQOCOEOXMES-UHFFFAOYSA-N 487.586 1.157 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)c1 1587063979 MAPVQAGOPCFROY-IBGZPJMESA-N 453.442 1.747 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(CC)nn(C)c2OC)c1 1587693640 VBWYKUFHFZJKIE-FQEVSTJZSA-N 490.568 1.638 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC2(CCOCC2)C1 1587765424 GMZJLQUZNCPGAG-SFHVURJKSA-N 483.660 1.517 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588074848 TWILDQRXJRGIIJ-VAMGGRTRSA-N 494.658 1.755 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1588075153 ZCUVREDEGAUDRW-IEBWSBKVSA-N 460.556 1.822 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1588769657 WJTRTJLHXAZORV-KRWDZBQOSA-N 486.374 1.451 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCS(C)(=O)=O)CC1 1588908455 QYOPMBXVULPIQY-UHFFFAOYSA-N 482.610 1.997 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(S(C)(=O)=O)CCC2)CC1 1588929417 ABWCEQUHYMYZGW-GOSISDBHSA-N 463.604 1.105 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1594625129 DTJLTUWBQXHMLN-MOPGFXCFSA-N 464.636 1.279 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1595517231 UKQSAHMMYWNNAZ-INIZCTEOSA-N 471.993 1.690 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1595538057 YARMTJJILVKZSF-UHFFFAOYSA-N 468.436 1.656 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1 1595759006 CVKFRGFJKBFQMA-UHFFFAOYSA-N 485.614 1.605 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1595788751 ITFBUXYFLZJDHG-RTBURBONSA-N 475.571 1.114 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2c1OCCCO2 1611307387 BXOVOETWQSJAFG-QFBILLFUSA-N 490.586 1.559 30 10 JDEE CC(=O)N1CCN(Cc2cccc(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)c2)CC1 1616562153 CZJNDZJGXNHKGC-UHFFFAOYSA-N 454.552 1.776 30 10 JDEE Cc1cccc(C(=O)N2CCCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1629558913 HASAFITUHONVIB-GOSISDBHSA-N 454.552 1.908 30 10 JDEE C=C(CCC(=O)OC)C(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1633631056 CKDLNJGPDXUVDR-UHFFFAOYSA-N 454.545 1.730 30 10 JDEE CC(=O)N1CCN(c2cccc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)c2)CC1 1634193797 FRVVEMYOFPCJMT-MRXNPFEDSA-N 455.540 1.532 30 10 JDEE CC(C)OCCS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 1652630113 FUNWNYXAIQDROD-HNNXBMFYSA-N 454.618 1.808 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1689966234 NJXGODALDFHAOH-PZJWPPBQSA-N 489.598 1.205 30 10 JDEE C#CCN(c1nnc(C)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1)[C@@H]1CCS(=O)(=O)C1 1689979416 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451.524 1.312 30 10 JDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1358956691 JOOOSHHCRZQNTQ-UXHICEINSA-N 455.584 1.749 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1358965246 QTGRKRMBRNWLCP-INIZCTEOSA-N 473.509 1.667 30 10 JDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1359057056 RCBZYYXCYHGRNJ-QGZVFWFLSA-N 459.576 1.206 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1359057403 YTOBYHMZTDLJNV-RDJZCZTQSA-N 497.668 1.391 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(CCC)C1 1359070043 DHUGSFNNZOVCLC-WOIUINJBSA-N 464.636 1.335 30 10 JDEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359273809 OSNNXWMILLFRCB-SFHVURJKSA-N 455.588 1.977 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1359293177 JNXJSEIPUIAIGH-INIZCTEOSA-N 456.572 1.973 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1359298115 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FFXVDVMYUVXMTK-OALUTQOASA-N 465.558 1.748 30 10 JDEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)C1 1503844243 BSHLBSWLOFCPBM-SFHVURJKSA-N 460.560 1.534 30 10 JDEE COCC1(CCn2c(C(=O)NC(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CCC1 1504620452 DIUOJGHMZSIYPZ-UHFFFAOYSA-N 483.621 1.863 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccc(F)c1)N(C)C 1507538990 QFKHXVZKCKNCDU-FFZOFVMBSA-N 478.594 1.511 30 10 JDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1507572793 XLFVJBLQFYOKGY-GOSISDBHSA-N 479.006 1.793 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1507638459 FRRYNKRIPOHUEU-KRWDZBQOSA-N 485.591 1.650 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1507640646 VDFFQCLFFPLHFM-JPYJTQIMSA-N 490.582 1.298 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1507734789 YFSUVUFEPBSWCA-UHFFFAOYSA-N 488.640 1.809 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC(=O)N(C)CC)CC1 1507735213 OJWFXISCPMFRAB-UHFFFAOYSA-N 482.585 1.797 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(C)CCOCC2)CC1 1507741188 WWCADWWDINMAQS-UHFFFAOYSA-N 453.591 1.922 30 10 JDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1507952660 XHNWSIYJLRTHJP-UHFFFAOYSA-N 471.606 1.307 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1508088145 WGSGTOPIHZQXGW-IBGZPJMESA-N 468.602 1.869 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1508134253 RDHSHNCEAJGPSM-INIZCTEOSA-N 471.942 1.290 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(CC(=O)NC)CC1 1508137663 PKFYBUXARHHNTO-UHFFFAOYSA-N 461.588 1.907 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1508141340 MLLYWMZSZYXJTF-HZPDHXFCSA-N 479.632 1.170 30 10 JDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1517428748 GTVBBASUIAQUIS-UHFFFAOYSA-N 478.601 1.333 30 10 JDEE C[S@@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1 1519636196 FKZJPKQQDYYTPR-JGCGQSQUSA-N 492.627 1.158 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(OCCOC)CCOCC1 1539005360 YYOBLHPDZOTUDH-GOSISDBHSA-N 480.569 1.862 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCN(CC)CC2)nc1 1539026781 ZYQMQOLKNZOTQR-IBGZPJMESA-N 450.591 1.444 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCSC2)C1 1540037460 LRUHASIHXXNPHA-YLJYHZDGSA-N 471.649 1.537 30 10 JDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1540040420 SUOCOFAUILDKBC-OAQYLSRUSA-N 479.628 1.877 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)C1CCCCC1 1540071275 DIIWXSVIXFUFPW-IBGZPJMESA-N 454.641 1.888 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1540876364 OWOOQQUPHHRYRL-YADARESESA-N 489.621 1.203 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1540900348 SFGROZOULPFGMX-LJQANCHMSA-N 459.572 1.374 30 10 JDEE Cc1nn(C)c(C)c1CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1542997378 HXOMTSYYNPYZDK-UHFFFAOYSA-N 475.601 1.968 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@](F)(C#N)C1 1552378518 CEHDZALRRSPEGO-FQEVSTJZSA-N 458.523 1.716 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Br 1587639346 KWZPHPBNHBCAKR-WMLDXEAASA-N 482.404 1.880 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CSC)cc1 1587641149 XYJMZJSWMOWJJA-VQIMIIECSA-N 463.629 1.980 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(C3CC3)C2)c1 1587684340 WMTSJXPYXMOCHG-HKUYNNGSSA-N 499.641 1.429 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2C[C@H](COC)OC)c1 1587689134 CDGDXWUHNPVTTI-GOSISDBHSA-N 480.525 1.723 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H](Cc1ccc(F)cc1)C(N)=O)[C@H]1CCS(=O)(=O)C1 1588029422 HSQQFGSDBSWKCD-KPFFTGBYSA-N 475.590 1.902 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCn2cc(CO)nn2)CC1 1588946350 CNQFIBPLSKIALW-UHFFFAOYSA-N 497.003 1.662 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNS(=O)(=O)CC 1589216520 QRTFDZYRWPIPEG-VGOFRKELSA-N 496.634 1.518 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1589481929 DZMFVVXDKTWASC-ACRUOGEOSA-N 487.649 1.530 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1589559192 OEOYSNFRBRBVBD-DYESRHJHSA-N 460.604 1.763 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCCC2)CCOCC1 1595302943 IDWOXHPXGQXAAU-IBGZPJMESA-N 467.636 1.464 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(c2cnn(CC)c2)CC1 1595608305 QLFGCTVQRRUXOP-RXVVDRJESA-N 457.579 1.905 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1 1595746069 ZYBMJTZQUSVXRW-HXUWFJFHSA-N 466.542 1.792 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)N(CC)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1595831822 WWDNKRQFXYXVIQ-JQVVWYNYSA-N 469.652 1.838 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1595884093 HKHLUANAQPGWMG-KRWDZBQOSA-N 454.622 1.660 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCS(=O)(=O)c1ccccc1 1613594274 FLHYYOALZZHVGC-SFHVURJKSA-N 474.587 1.789 30 10 JDEE COc1cccc(C(=O)NCCn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@@H](C)C#N)c1 1619329760 FZHAYYLXXGYTCE-INIZCTEOSA-N 462.514 1.960 30 10 JDEE C#CCN(CC(=O)N1NC(=O)CC12CCN(C(=O)OC(C)(C)C)CC2)C(=O)OC(C)(C)C 1628737234 PKKNSCFMOAPCAB-UHFFFAOYSA-N 450.536 1.890 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)ccc1F 1629920934 NHNDYPAXBCPISZ-MRXNPFEDSA-N 452.552 1.059 30 10 JDEE C=CCC1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1 1648367124 WBZVYDXGJSWLRG-UHFFFAOYSA-N 459.971 1.715 30 10 JDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCNC(=O)OCc2ccccc2)[C@@H](C#N)C1 1660692740 FCGWAVKMTOUKRV-KRWDZBQOSA-N 452.533 1.687 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)CC1 1685403718 VBTWAIALPNFPDA-ZDUSSCGKSA-N 452.924 1.246 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689991090 VRBRASYQXYCFNF-HKUYNNGSSA-N 463.604 1.248 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](COC)OC 1690048952 UNKMZPPEESVYGC-RTBURBONSA-N 461.563 1.711 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@H]2CCC[C@H]2N2CCCS2(=O)=O)n1 1690108049 NITUWFUHEYXMFM-TZIWHRDSSA-N 475.619 1.273 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)COc2ccccc2OC)CC1 1690130670 LCXJTRLCAAPHPT-FQEVSTJZSA-N 466.586 1.879 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1690236185 JKMUHEZVQSWNAH-HNAYVOBHSA-N 451.531 1.932 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1690265448 PAZHQIZQULSQCL-PSHVLCQKSA-N 467.636 1.955 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCC(C)(C)C2)CC1 1690375624 PIIOJMZSORQSEG-LJQANCHMSA-N 466.652 1.889 30 10 JDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690417063 CMCJFLANBHINFC-QHCPKHFHSA-N 457.579 1.931 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1690661202 WSGFWLDKPMEDHL-ZDUSSCGKSA-N 457.457 1.540 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2-n2ccnc2)C1 1690686959 WMELUMKQFOKBPB-MJGOQNOKSA-N 471.587 1.904 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@H](CC)C1 1690717926 VMWQMYMEUPZQQQ-FUHWJXTLSA-N 482.628 1.953 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCC(O)CC1 1705476887 GQPUOVMNFPOHRM-MSOLQXFVSA-N 474.631 1.351 30 10 JDEE C#CCCCn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705539297 OHKDHUGBOSSQGW-HDICACEKSA-N 480.635 1.934 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCC1(F)F)[C@H]1CCS(=O)(=O)C1 1705566553 NZWWINKLDFFGAI-ZACQAIPSSA-N 490.598 1.632 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1c(C)coc1C)[C@@H]1CCS(=O)(=O)C1 1705572155 SGNYZQQYDQPMKB-NSHGMRRFSA-N 462.572 1.887 30 10 JDEE 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1.820 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCOC2)c1 1722308719 DYHMJPDBYRDCKK-ROUUACIJSA-N 457.556 1.273 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1722358467 HUNOHHYZGSSCPN-OTWHNJEPSA-N 465.620 1.494 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722366169 GGEONSQHIIVQHC-NNWRFLSQSA-N 498.653 1.767 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1cccc(N2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 1722369578 BLBLEINGMQUKEX-NRFANRHFSA-N 473.599 1.326 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2(O)CCSC2)CC1 1722443177 OUCKOTOVEAPVNU-QHCPKHFHSA-N 455.584 1.788 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](c2ccc(C)o2)N2CCOCC2)CC1 1722451018 VVZZCSQHESVXDC-OAQYLSRUSA-N 484.601 1.755 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(F)cc2C1 1722462740 XRMNAWNIWMLNJT-IBGZPJMESA-N 479.603 1.679 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1722620540 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Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)n1C 2362341236 RNKZODIWDDKCFO-ZSHCYNCHSA-N 460.384 1.965 30 10 JDEE Cc1scc(C(=O)NCC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2369516472 QLZGGVWYSIHBEP-UHFFFAOYSA-N 479.408 1.808 30 10 JDEE C=CCn1/c(=N/C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc2cc(S(C)(=O)=O)ccc21 13791871 YKPDJWPVURRUKA-UNQMGURYSA-N 457.599 1.391 30 10 JDEE C=CCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)s1 59887921 HLKZIDYDBBQFAS-QGMBQPNBSA-N 494.632 1.917 30 10 JDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2cc(OC)ccc2OC)[C@@H](C#N)C(=O)N3)CC1 72444602 DDQYIWYQRBJHGA-SJLPKXTDSA-N 481.509 1.790 30 10 JDEE C#CCCN1C(=O)[C@@H]2[C@H](c3ccc(C(=O)OC)cc3)N[C@@](Cc3ccccc3)(C(=O)O)[C@@H]2C1=O 247807948 AVPUZZFOVFVWST-HJJDGDTKSA-N 460.486 1.808 30 10 JDEE CNC(=O)CCSc1nnc(N/N=C/c2c(C)nn(-c3ccccc3)c2N2CCOCC2)[nH]1 253564963 HDLCKEZCNXLKGM-OEAKJJBVSA-N 469.575 1.810 30 10 JDEE CS(=O)(=O)N(CCC#N)Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)o1 1084098262 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C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS(=O)(=O)CC1 1300974695 LMQJGGQHYQRMGJ-UHFFFAOYSA-N 454.574 1.176 30 10 JDEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC(=O)N1CCOCC1 1301257570 BBJGIGYBTNBHNH-FQEVSTJZSA-N 457.531 1.678 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(N(C)C)c1 1301402949 JKSLGGRQTMXVOL-HXUWFJFHSA-N 460.604 1.904 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)Cc2ccccc2)C1 1301534568 CCYNZUTWNSEYAR-FQEVSTJZSA-N 473.599 1.910 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CCC)CC2)C1 1301556715 JARTXWOIIUBRPD-QZTJIDSGSA-N 453.609 1.973 30 10 JDEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 1313948649 FFORUUFGEXSIMI-UGKGYDQZSA-N 464.618 1.792 30 10 JDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1316359392 GJBPQJPYBHNFDX-IBGZPJMESA-N 471.587 1.109 30 10 JDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CCO1 1316538695 AGNIYTZGIMQAGO-CABCVRRESA-N 483.520 1.883 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358959126 CEGXYUUQSRTQMM-MSOLQXFVSA-N 463.007 1.960 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1358960271 ANVJPVIUVZJQCM-SFHVURJKSA-N 487.607 1.546 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCOC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358961931 HHTXOGZKBLDEPZ-UYAOXDASSA-N 466.604 1.732 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1nncn1C 1358991892 SMWZJNHOTUZGEE-UHFFFAOYSA-N 455.526 1.705 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCNS(C)(=O)=O 1359007438 JZDQDXNHASIGNI-UHFFFAOYSA-N 471.587 1.635 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1359007834 XPYJLNCBQGDTAQ-UHFFFAOYSA-N 473.541 1.849 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@@H](N3CCCC3=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359305863 PESBWHLWWCSMFB-FGTMMUONSA-N 487.605 1.552 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1359309511 USYLYMMASPOSHH-YZZKKUAISA-N 491.614 1.886 30 10 JDEE C#CCN1CCN(C(=O)c2ccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3OC)cc2)CC1 1454531086 NDKIOFMERLCFSJ-UHFFFAOYSA-N 458.496 1.795 30 10 JDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCc1cccc(C(N)=O)c1 1503108008 ACVFDJIJMKXELJ-KRWDZBQOSA-N 475.557 1.533 30 10 JDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 1503366514 BHJPAUNOFKHVQO-UHFFFAOYSA-N 469.590 1.754 30 10 JDEE COc1ccccc1SCc1nnc(N(C)C[C@@H](C)C#N)n1C[C@]1(O)CCS(=O)(=O)C1 1504444192 AIODUEVCLPDKHR-MGPUTAFESA-N 465.601 1.724 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507532817 JBUMIBGDAHLZGZ-XJKSGUPXSA-N 454.453 1.727 30 10 JDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1507554131 LSSSLYPGXIZVQO-FQEVSTJZSA-N 478.601 1.862 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1507636842 DYWBYIDRMXSUNK-JBACZVJFSA-N 473.599 1.575 30 10 JDEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1507636879 FGGUSXBJAATDKD-KSZLIROESA-N 495.646 1.837 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1507639620 LIZALFRUDVJPKV-HXUWFJFHSA-N 489.667 1.841 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCOC1 1508033978 RLWTYRPFTZJGGQ-ICSRJNTNSA-N 479.603 1.866 30 10 JDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1508160746 IQHDDCRVAINDCW-KRWDZBQOSA-N 482.632 1.731 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccsc1)N(C)C 1539015965 RRMVPGCXQKJQJO-JQHSSLGASA-N 466.633 1.433 30 10 JDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1539132330 ILHHLAOUXPWISA-UHFFFAOYSA-N 477.616 1.090 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCN(C2CC2)C1)[C@H]1CCS(=O)(=O)C1 1539204006 XNBZXOFWJPRZIU-PXNSSMCTSA-N 476.647 1.308 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1539215736 HZHINTQBLNGESB-SFHVURJKSA-N 461.613 1.879 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1539222433 VZDLEUWAOGCDMI-WBVHZDCISA-N 497.419 1.458 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1539224981 KWMGYEBESSKQSO-XXBNENTESA-N 474.583 1.310 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CN(C)C1=O 1539384338 FJFROIOVMSLLNX-QVKFZJNVSA-N 462.551 1.146 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(Br)n2)CC1 1539428233 NZWSYOYFQYACTA-UHFFFAOYSA-N 458.364 1.475 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](C)(C(=O)NC)C1 1539615677 KMVLDSSDMKDSLU-CEXJFXJFSA-N 453.547 1.869 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCOCC2)C1 1539616577 RKNJZTMWBSMCPZ-SQNIBIBYSA-N 469.608 1.255 30 10 JDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCS(=O)(=O)C1 1540064496 VRXVKMDXSXXQKG-HNNXBMFYSA-N 452.606 1.685 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1540869497 OVMINBRBIJHRTR-SFHVURJKSA-N 452.515 1.336 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2cccc(C(=O)NC)c2)C1 1540894590 AWRUHLRCQXYVJQ-FQEVSTJZSA-N 452.559 1.784 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1540905207 RNNKAXHNAULQOT-SJORKVTESA-N 463.608 1.582 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCn2nc(C)nc2C1 1540907381 UYOZNMZNYZBYFN-UHFFFAOYSA-N 471.587 1.995 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CCO1 1541073987 GDFLWIRPBOLJAT-VQTJNVASSA-N 472.571 1.125 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN(CC)S(C)(=O)=O 1587638520 FRRLFMBREVGAKW-ZWKOTPCHSA-N 498.650 1.716 30 10 JDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1587758513 AZNHDONBCNJQTA-KZNAEPCWSA-N 488.589 1.783 30 10 JDEE C#CCCCn1c(N2CCC(N(CC)S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1587893958 KVXQGEVFPAPDGD-NRFANRHFSA-N 453.609 1.594 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 1588024514 FXWNSERSRHTLRB-AWEZNQCLSA-N 467.954 1.884 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(SC)CCC1)[C@H]1CCS(=O)(=O)C1 1588054206 LJXUUMZNNNNUKO-HOTGVXAUSA-N 472.658 1.093 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)N(C)C)CC1 1588892068 WNVOMDXVCXGYSA-UHFFFAOYSA-N 462.352 1.090 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1588914130 XMHPZPFUVNRHIS-UHFFFAOYSA-N 470.599 1.663 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC)CC1 1589403720 CFOJLZCJSOGHCF-ZDUSSCGKSA-N 462.370 1.367 30 10 JDEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1594182342 ZODLMSKABQTFCQ-QFIPXVFZSA-N 494.017 1.814 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1595405781 YFVMWEIAILTGIN-APWZRJJASA-N 490.586 1.951 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(CO)CC1 1595536983 KNHPWTVQDRIIHI-UHFFFAOYSA-N 465.558 1.576 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(S(C)(=O)=O)CC2)cc1 1595613852 JFSCEPUSVRZVFX-LJQANCHMSA-N 459.572 1.856 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C(C)C)C1 1595759914 HMRZKTMSDSCNTG-GJZGRUSLSA-N 465.667 1.067 30 10 JDEE CC(C)(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CCO1 1597203326 ABGHVQADDUKHJB-FQEVSTJZSA-N 468.558 1.839 30 10 JDEE CC(C)(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1597203808 DZSPJKYPACKFIK-XXBNENTESA-N 489.598 1.530 30 10 JDEE C[C@H]1C[C@@H](C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1612669535 CTGFXEJKPVQVCR-JKSBSHDWSA-N 459.572 1.761 30 10 JDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO 1623202681 FRPHEHSZGHOHEJ-XJABCFGWSA-N 456.568 1.224 30 10 JDEE C[C@@H](CC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1625913115 GQTFOZGFOCLKQG-HNNXBMFYSA-N 456.524 1.615 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(N)(=O)=O)c(Br)c2)n1 1635721329 JIGHVCINTGRVBP-UHFFFAOYSA-N 455.334 1.215 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)c1 1661394551 AVGPQXHKKHWWLD-UHFFFAOYSA-N 456.568 1.749 30 10 JDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)cc1 1676356280 HJNXYBSIXMGROG-HNNXBMFYSA-N 458.544 1.780 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC(=O)NCCC)c1 1689869068 ZYQBYCMEAOLHNT-UHFFFAOYSA-N 451.531 1.097 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1689913692 TWBPQUUTKUPUMU-OWCLPIDISA-N 454.597 1.651 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689990435 OHXMARWGNIAVNY-RBUKOAKNSA-N 492.623 1.273 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCNC(=O)c1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1689992734 OJJRJXCUZKBNOK-IBGZPJMESA-N 473.599 1.542 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1Cn1cccn1 1690032977 NTIVYPKVPMUZQV-LJQANCHMSA-N 465.583 1.644 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nccs1 1690046768 GUYUANLQUDYPQH-KRWDZBQOSA-N 462.601 1.163 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(COC)CCC2)CC1 1690137800 JFLGVRNANXVPLH-DEOSSOPVSA-N 459.591 1.713 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1690146153 HAXAXUIRYJRJKU-YADARESESA-N 455.559 1.865 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690250168 DFYSHMWPMIRGTO-SBHAEUEKSA-N 477.635 1.639 30 10 JDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1690502788 GWDZBHPRPPUXGJ-IBGZPJMESA-N 451.535 1.618 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cn2)CC1 1690508522 KMNDGFDXHVDKOB-QGZVFWFLSA-N 464.567 1.634 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1690661635 BTZZTXUKOVQDCP-IYBDPMFKSA-N 494.438 1.894 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1690661905 KQUHTTNWZSBDGC-MRXNPFEDSA-N 475.500 1.889 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1690676143 RAADWBMNUWUKQN-LJQANCHMSA-N 499.597 1.035 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(C)=O)C1 1690682766 YNMGMOGEAPBRES-QFBILLFUSA-N 476.603 1.606 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1690714893 XTSPTYUUJFWVBK-QGZVFWFLSA-N 453.609 1.899 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1690723426 RFVBUJOZNJTSJE-SFHVURJKSA-N 464.636 1.279 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(C)(F)F)c1 1696621320 HIANXCCNAMSQAV-HNNXBMFYSA-N 454.503 1.969 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1705559138 RZVDRWYJRAYXOH-SJLPKXTDSA-N 467.661 1.966 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705562151 YRDITIXDSIRDQT-KURKYZTESA-N 472.571 1.367 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1nnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 1705567609 XPTLYKJFHHFRSH-HZPDHXFCSA-N 478.644 1.996 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1705569710 GAUFGBXWVWDQPP-OPAMFIHVSA-N 482.553 1.561 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1CC1(O)CCS(=O)(=O)CC1 1705601511 LYFHOCNOMYBTSE-UHFFFAOYSA-N 470.595 1.877 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ncccc1Cl 1705612875 QZSNDUXTPYXNIE-MRXNPFEDSA-N 468.967 1.198 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCCC1=O 1705627678 NJBBJXMCCAJENM-HXUWFJFHSA-N 450.543 1.486 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCOC(C)C)CC1 1705648134 OGWNSUBIXVIHSC-LJQANCHMSA-N 465.620 1.351 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705896976 CZYDKKAPCVLUAU-FQEVSTJZSA-N 462.558 1.709 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2ccccn2)CC1 1705898485 NJXLABRKMDRINU-UHFFFAOYSA-N 463.542 1.986 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(CCOC)CC2)cc1 1705911457 IOEFLELBAIJQQK-HXUWFJFHSA-N 475.615 1.562 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(NC(=O)COC)CC2)cc1 1705911774 QAPKXBVACCPNJA-HXUWFJFHSA-N 468.558 1.574 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@H](C)C(=O)NC 1705935895 GECVSGGAYWKQBY-MAUKXSAKSA-N 463.560 1.210 30 10 JDEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C)C(=O)[C@@H]1C 1705944212 YJURLRSWKQZFDV-HNNXBMFYSA-N 463.633 1.824 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1710900147 GKIQIRTXYGASJA-INIZCTEOSA-N 486.602 1.771 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccco1)N1CCCCC1 1722294085 GAGHATLJKBHWIR-ZJOUEHCJSA-N 490.630 1.889 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1722332261 HERDWBXVIZEPQR-SFHVURJKSA-N 462.532 1.569 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1722363062 QNPPRLPTLWVVHR-IBGZPJMESA-N 468.539 1.286 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722365725 PDRBLTUYYYMMTN-YKSBVNFPSA-N 493.674 1.821 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(C(C)(C)O)c1)[C@@H]1CCS(=O)(=O)C1 1722366922 KVNYYBLJJHPTNM-UYAOXDASSA-N 458.584 1.684 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1C[C@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722369136 YTOXDNKNBHQRNA-VQTJNVASSA-N 451.637 1.460 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1722371243 VCACULXFEQNHTP-FQEVSTJZSA-N 488.610 1.724 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC(=O)NC)CC1 1722436894 MYLGEJKYRZXLTJ-SFHVURJKSA-N 459.595 1.284 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CC(=O)N(c3ccccc3)C2)CC1 1722450772 QJICAAKSGXMIRF-IBGZPJMESA-N 464.570 1.834 30 10 JDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1722686183 RFXGHDMRIUFDOX-WCXIOVBPSA-N 467.592 1.485 30 10 JDEE C=CCn1c(N2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1722689605 WLPYZKKFCQXKGF-DBHNTLKXSA-N 497.618 1.243 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC=C(Br)C1 1722726639 AKRCXNHNVSFCJB-ZDUSSCGKSA-N 479.422 1.270 30 10 JDEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)N(C)C)C[C@@H]2C)CC1 1722775947 CQVUWGCFRZTZGL-WMZHIEFXSA-N 492.628 1.674 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)Cc1ccccc1 1740530951 BSRGVBYMSQRFSK-QGZVFWFLSA-N 452.540 1.998 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2nccs2)C1 1740592263 USTCLZOERHEXQL-HZPDHXFCSA-N 466.589 1.059 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1740619083 MGLKURUTCAYMMT-KRWDZBQOSA-N 463.991 1.997 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(CC)cc1)[C@@H]1CCS(=O)(=O)C1 1740623614 XVCCITLQMHFYBB-UXHICEINSA-N 455.584 1.661 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740628353 PRPHIAJGLIVWKP-YOSAUDMPSA-N 488.610 1.641 30 10 JDEE C#CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1CC1(O)CCS(=O)(=O)CC1 1740679920 MRLSCMBROOFIKR-UHFFFAOYSA-N 472.611 1.774 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1740717383 RAKYHGFJBKJUIW-LEWJYISDSA-N 489.667 1.402 30 10 JDEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCS(=O)(=O)N(C)C)CC1 1740837422 MLFWFZRRESAIPT-UHFFFAOYSA-N 471.587 1.486 30 10 JDEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1740887998 OCOFZUONUKIPIB-ZWKOTPCHSA-N 462.551 1.908 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)Cc1cnn(C)c1 1740959548 ZJBZFLUPLPSTGD-UHFFFAOYSA-N 475.557 1.908 30 10 JDEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CCN(C(C)=O)CC1 1740993994 LPEOWGJKYQSUKV-UHFFFAOYSA-N 479.628 1.848 30 10 JDEE CN(C)C(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1747526698 FCEGVMLPWUXSOZ-UHFFFAOYSA-N 458.588 1.946 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748965217 QGUMUIZDTJKHFL-YLJYHZDGSA-N 475.571 1.158 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCN(C)S(=O)(=O)CC)CC1 1748978606 OHNJDJMXRZDZSG-UHFFFAOYSA-N 496.641 1.762 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCc2cc(OC)ccc2OC)CC1 1748994824 STFBOFUWJZRUPT-UHFFFAOYSA-N 466.586 1.806 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](COC)OC)CC1 1749010251 JHTVYQHMUHHDON-IBGZPJMESA-N 469.542 1.344 30 10 JDEE C#CCSCCn1c(N2CCC(N3CCCNC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1749048743 VFMUDISUPVIGNV-JOCHJYFZSA-N 462.620 1.681 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OCC)CCCC1 1749065796 BLNJUFGXPGFMLS-WIYYLYMNSA-N 465.620 1.952 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1749670709 VSQQSGFXBPUKKX-HKUYNNGSSA-N 481.619 1.037 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccccc1 1749670998 XPHWACQTIQWQTG-RBUKOAKNSA-N 474.587 1.255 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1749738599 RLZKNGSBVVLPRV-HXUWFJFHSA-N 472.615 1.610 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCCc2nc(C)no2)c1 1760126701 GQNKKOUEAWPNRH-UHFFFAOYSA-N 476.541 1.895 30 10 JDEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760158459 LSGFHJYPVSPQRX-OAHLLOKOSA-N 477.352 1.724 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCS(=O)(=O)CC=C)[C@@H]1CCS(=O)(=O)C1 1760181110 POQHIZCFANJWDA-GOSISDBHSA-N 483.015 1.826 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(=O)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1760190083 XZBKGCRDGGLAEO-LEWJYISDSA-N 485.610 1.805 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cc(C)on2)CC1 1760255646 MSYWEGPKXUGAIM-UHFFFAOYSA-N 469.571 1.295 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCOCCS(C)(=O)=O)CC1 1760256942 XLQYUQRCIZLPDL-UHFFFAOYSA-N 482.006 1.424 30 10 JDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)CN2CCOCC2)CC1 1760261919 SSYKHHIALVXJCU-LJQANCHMSA-N 458.557 1.871 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(OC)c(OC)c2)CC1 1760265022 LHPVYIDRQGAPSS-UHFFFAOYSA-N 482.585 1.642 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)s2)CC1 1760269962 QOXFKNMJWGPDCV-HNNXBMFYSA-N 482.031 1.909 30 10 JDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1760344856 MFSMFFUHLMWLDJ-KRWDZBQOSA-N 485.614 1.876 30 10 JDEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)NCCOC)CC1 1760371422 YVXZDRASUYUMHU-UHFFFAOYSA-N 471.953 1.652 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCC[C@H](C)C2)CC1 1760402196 JEPSSUSZHYDGNI-ICSRJNTNSA-N 466.652 1.745 30 10 JDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1760445678 RYFVXYRICDRZMM-UHFFFAOYSA-N 468.562 1.856 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1760528738 LBRMPUCLAURLED-DFBJGRDBSA-N 490.649 2.000 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1760555360 DKMWRPHVPGAESL-HXUWFJFHSA-N 489.598 1.789 30 10 JDEE CCN(C)C(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1766382976 HDCWNPYCGGDHHC-UHFFFAOYSA-N 491.600 1.884 30 10 JDEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc([N+](=O)[O-])c1 1862748291 XQWGTWZCZCFIKW-SFHVURJKSA-N 471.378 1.845 30 10 JDEE N#Cc1ccc(COc2cn(CCN3C(=O)CSC3=O)c(CN3CCC(O)CC3)cc2=O)cc1 1870350896 CJRQKWHMDRNXOF-UHFFFAOYSA-N 482.562 1.951 30 10 JDEE C=CCN=c1nc(N(CC)CCc2ccncc2)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871631882 ICVFEUDAFULIFG-UHFFFAOYSA-N 458.526 1.747 30 10 JDEE C=CCN(CC=C)c1nc(=NCCCCCO)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871633540 RSQFHLZHNWLGFO-UHFFFAOYSA-N 451.531 1.438 30 10 JDEE CC(=O)N[C@@H](Cc1ccccc1F)C(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1890479762 BLABCBMDMCJDKB-SANMLTNESA-N 486.632 1.910 30 10 JDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)[C@@H]2SCC(=O)N(C3CC3)[C@@H]2c2cccnc2)C1 1891416698 GFELLRHVLBETGY-DUXKGJEZSA-N 464.551 1.961 30 10 JDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ncc(C#CCCO)s1 2164496583 LJKAFJTVWFEFEZ-IBGZPJMESA-N 451.501 1.643 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256604159 ATKZGALKUUCPFM-ZDUSSCGKSA-N 453.370 1.694 30 10 JDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256618584 RMZZQCKJMJAGNK-CYBMUJFWSA-N 452.386 1.932 30 10 JDEE CO[C@@H](C)[C@H](CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)NC(=O)OC(C)(C)C 2256621249 RVTGVSWOHAHJAX-RYUDHWBXSA-N 456.374 1.516 30 10 JDEE C=C(CN(C)C(=O)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1)B1OC(C)(C)C(C)(C)O1 2256664256 AIHQTUPFOFPJGS-OAHLLOKOSA-N 458.386 1.570 30 10 JDEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267096781 LFARNKGXKGTIEU-RRFJBIMHSA-N 450.345 1.509 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H]([S@@](C)(=O)=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267147819 XSZNMGYALAVJKS-PXTGODKCSA-N 468.385 1.956 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CO 2267162457 BCBPYEGFQHACJT-ZFWWWQNUSA-N 467.397 1.790 30 10 JDEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)cc2)OC1(C)C 2267366126 BEIWESWYSZNBNP-KGLIPLIRSA-N 460.283 1.522 30 10 JDEE CC(C)(C)OC(=O)NC1(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCOCC1 2267517848 ZKUWZRZNZDFSOM-UHFFFAOYSA-N 450.345 1.513 30 10 JDEE C[C@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2281986307 RPINSZJSGDAHRU-AWEZNQCLSA-N 464.372 1.589 30 10 JDEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282052353 NBMHZCGGCZDPFW-HNNXBMFYSA-N 464.372 1.427 30 10 JDEE C[C@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282493081 RQXNOQILMBQWJW-CQSZACIVSA-N 484.428 1.595 30 10 JDEE CO[C@H]1C[C@H](CNC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)N(C(=O)OC(C)(C)C)C1 2282551293 CEMOABBKUQOZFO-CABCVRRESA-N 464.372 1.474 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C(C)(C)C1 2282683451 DGQHOZYHVXZBQL-AWEZNQCLSA-N 463.388 1.880 30 10 JDEE Cc1cc(C(=O)NC[C@@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282696133 YWEVMLADGMGNOA-IJEWVQPXSA-N 482.408 1.427 30 10 JDEE CC(C)(C)OC(=O)NCCO[C@@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283071081 AMICNMSEXJTEBO-OAHLLOKOSA-N 462.356 1.532 30 10 JDEE Cc1nc(NC(=O)[C@@H]2C[C@H](O)CCN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2283974643 VPKFWPMFKOVVAR-ZBFHGGJFSA-N 462.356 1.783 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCC(=O)Nc3cc(C)ccc3OC)cc2C1=O 9702399 YJEFUIYSDWJKIZ-UHFFFAOYSA-N 465.462 1.697 30 10 JDEE COc1ccc(S(=O)(=O)/N=C2\C=C3N(CCO)CCO[C@@]3(O)c3ccccc32)cc1[N+](=O)[O-] 102612428 MHANBCBILWSWAU-LXDMNWQESA-N 475.479 1.149 30 10 JDEE CC1(C)OB(c2ncc(CNS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)s2)OC1(C)C 718814861 QIRHFAJMFNQMSY-UHFFFAOYSA-N 477.373 1.158 30 10 JDEE C#CCN(C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)[C@H]1CCS(=O)(=O)C1 729331575 QNBBGVXTNXGUNO-IBGZPJMESA-N 458.561 1.701 30 10 JDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccccc1 729668200 AOPQYRLKFIJPQJ-UHFFFAOYSA-N 487.585 1.652 30 10 JDEE C=CCn1cc(C=NNc2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)n2N)cn1 1084342461 VYBUXYKQGBRLMG-UHFFFAOYSA-N 457.520 1.568 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C(=O)N(C)C)c1 1286294890 GIILBEVHFUBTMB-YLJYHZDGSA-N 488.614 1.013 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1OCCOC)[C@H]1CCS(=O)(=O)C1 1286391297 DRFNFLFCLJTVSM-PMACEKPBSA-N 474.583 1.482 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286391909 FPPJAEVBTGSRKE-TZIWHRDSSA-N 459.591 1.975 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286394264 HYKSNAVPSMOXPN-VAXXYWNWSA-N 483.594 1.907 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2nnn(C)n2)CC1 1286486563 GUFPLENRBYPDDT-UHFFFAOYSA-N 474.356 1.790 30 10 JDEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286711396 KWIUXKDFNSJPHY-OAQYLSRUSA-N 498.584 1.557 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccn(C)n1 1286749272 OHRWHWSJENDKDW-SFHVURJKSA-N 477.616 1.647 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C 1286750942 JWGJYLVVBYRVCW-QUCCMNQESA-N 466.590 1.119 30 10 JDEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1286751179 BTGYFUBIIHUWQL-JOCHJYFZSA-N 459.572 1.875 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccnc(SC)c2)C1 1286808662 DGSNBBVCKGIDRN-ROUUACIJSA-N 494.643 1.558 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2ccc(O)cc2C1 1286824416 CRMLHZXNNYOXRK-PXNSSMCTSA-N 462.572 1.871 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1300364941 PBDNRCGUFPPTQW-IBGZPJMESA-N 470.599 1.409 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1300484447 SGKMHDOPPRKHLD-SFHVURJKSA-N 481.582 1.440 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300506009 LKFIAJGTCWRHPE-KKMBPYAXSA-N 494.658 1.960 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1301485582 YPUJBPBHQLROHY-XLIONFOSSA-N 469.546 1.703 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1301545359 GLPHYLFNTVDOMY-FOIQADDNSA-N 452.964 1.929 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1301612228 KUDGGVKQCWVGAG-IAGOWNOFSA-N 455.650 1.985 30 10 JDEE COc1ccc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)c(OC)c1OC 1315466045 CTWQWHGRVHGWBR-QRQCRPRQSA-N 458.494 1.940 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)C2CC2)c1 1358900558 NBJUGISGAMKQRF-DEOSSOPVSA-N 450.543 1.731 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCCOC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1358960703 JVYPUKLGYBKHQS-OALUTQOASA-N 461.588 1.354 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN1CCN(C)C(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1358962656 UIMBNNYVZLQCEL-VQTJNVASSA-N 478.663 1.172 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc(C(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1358966864 YHJSPEVKKXMPLJ-FQEVSTJZSA-N 455.584 1.785 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](N1CCOCC1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358967652 PGLIMMXPTJAJLK-BBWFWOEESA-N 491.536 1.019 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncccc1N(C)C 1359019847 IUDKVSFZVPFFAZ-UHFFFAOYSA-N 468.583 1.944 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)COC)CC1 1359090246 XRYXSOQFMYNCHI-FXAWDEMLSA-N 460.579 1.227 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1359133391 REAQHEYMPMAESA-QZTJIDSGSA-N 491.618 1.171 30 10 JDEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 1359133452 RZEOLJGHVRPMMU-UZUQRXQVSA-N 478.594 1.881 30 10 JDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359228512 FVEAOUDLORVRHB-UHFFFAOYSA-N 459.576 1.747 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@]2(CCC(=O)N2)C1)C(C)C 1359265735 KYSXMZXAZLWAOE-XLNZFTOWSA-N 455.607 1.787 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@@H](C)C(=O)NC 1359295519 FETLMAZTXSTJAO-GFCCVEGCSA-N 467.343 1.967 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359306133 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C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1595773200 UHIFBOARNYKYQI-UHFFFAOYSA-N 471.605 1.213 30 10 JDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC1CCCCC1 1618308492 CYWUPCXTRPDXPD-UHFFFAOYSA-N 473.603 1.641 30 10 JDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1628658329 CPGZKJTZEXNMDM-DOTOQJQBSA-N 450.561 1.988 30 10 JDEE C=CCCCCCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1644669356 KDBXOKAFXBNQLZ-UHFFFAOYSA-N 451.589 1.969 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1689998136 CMAIQPWDRXRUCG-CMOCDZPBSA-N 493.674 1.749 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1689998503 NWQRGJGHHXVZOY-FHWLQOOXSA-N 467.636 1.217 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccnc1)C(C)C 1690077242 LKKMRDBJEZXMLG-PMACEKPBSA-N 460.604 1.905 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1690115204 WRYFGYXODJAUQB-LJQANCHMSA-N 470.599 1.019 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](CC=C)c2ccccc2)CC1 1690124546 NZFYPHJWNWYYFR-XZOQPEGZSA-N 498.653 1.726 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cn3ccsc3n2)CC1 1690138064 QZTKZGRJKIRQHY-INIZCTEOSA-N 471.587 1.725 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSCC1 1690683798 VXHRTCJVYQSIHB-LJQANCHMSA-N 479.628 1.777 30 10 JDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)N(C)C 1692720734 FGSXJDCUYYTKAD-ICSRJNTNSA-N 489.646 1.787 30 10 JDEE C[C@@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)CCCO1 1693842711 FGILSEGLCDXWCN-QUCCMNQESA-N 467.574 1.541 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1705492089 LNHCZNIWPLSVDT-KGLIPLIRSA-N 461.535 1.798 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(C)on2)c1 1705504119 NHTJELXGLYSEIA-HNNXBMFYSA-N 471.543 1.289 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1705558939 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465.558 1.724 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1300734617 YZRAUZAKFFJXEN-MRXNPFEDSA-N 491.618 1.592 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300879349 CRUJYCVUZSZEHN-SIKLNZKXSA-N 453.591 1.968 30 10 JDEE COC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)OC 1300998063 GVXRULVMMNMSGC-OAQYLSRUSA-N 469.590 1.662 30 10 JDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1301018079 ULWPHYYPUOAPGY-VBHSOAQHSA-N 460.988 1.744 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CCOCC2)CC1 1301125364 NYACMALEPJBXEI-LJQANCHMSA-N 453.609 1.830 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1301136933 IIXPQDYTKVPMRX-DLBZAZTESA-N 488.680 1.495 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1301499712 DSRVTBQCGKDLFX-SFTDATJTSA-N 475.638 1.053 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(N2CCCNC2=O)CC1 1301509882 PAORXHLHSLOESG-UHFFFAOYSA-N 451.575 1.750 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301586299 KGPWAFOROQTSSH-QGZVFWFLSA-N 464.592 1.084 30 10 JDEE COC(=O)Cc1cc(OC)ccc1S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1309386201 DODCPUULYNYGJO-GOEBONIOSA-N 453.517 1.448 30 10 JDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CCC(C)(C)S(C)(=O)=O 1309853337 BQHQKXDLKFDVHZ-UHFFFAOYSA-N 450.623 1.864 30 10 JDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC(F)(F)F)nc2)CCO1 1316539926 HRNMNCPPIUXLMS-LSDHHAIUSA-N 486.476 1.293 30 10 JDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1358918870 JTJQJTCDRFWRIT-NRFANRHFSA-N 463.586 1.757 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1358960008 ULJLPTLDKLKSSA-SJLPKXTDSA-N 478.596 1.015 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358967623 OIDMEXYVSQRNQF-UYAOXDASSA-N 485.610 1.707 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(I)cc1 1358977070 BQMSVEGJLASYBR-INIZCTEOSA-N 459.291 1.955 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C2OCCO2)c1 1358985373 XIVGKOLUDLPZOQ-KRWDZBQOSA-N 457.556 1.445 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCS(=O)(=O)C1 1359003665 SWIBNEXDHUEBJA-MRXNPFEDSA-N 450.586 1.633 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C)C1=O 1359024529 PAWWWNMTLZBONL-UUOWRZLLSA-N 474.606 1.957 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2nccc(C(F)(F)F)n2)CC1 1359030733 DHVWLAPDRVZDNC-NRFANRHFSA-N 479.507 1.737 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(OC)cc2)CC1 1359044678 LTZRBIHKBWMHFP-FQEVSTJZSA-N 450.543 1.446 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2COCCO2)CC1 1359047444 HHPUTFVUMWRDMO-OAQYLSRUSA-N 453.543 1.547 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H]1c1nncn1C 1359293982 HARZLXVSMHXXIH-SFHVURJKSA-N 452.519 1.735 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1359294021 IARLWZVWUGILDM-QGZVFWFLSA-N 455.519 1.314 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCc2ccccc2)CC1 1359301079 RENPIWSUSUYOCG-LJQANCHMSA-N 473.599 1.668 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)cc1 1359308174 GPNZPUIORHCGNS-PXNSSMCTSA-N 474.587 1.962 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1 1359309821 FDCIOYDWKCLPGK-SFHVURJKSA-N 475.571 1.682 30 10 JDEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1359344724 GVYZAMXFVRXJGE-UHFFFAOYSA-N 474.635 1.397 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCCN(C)S(=O)(=O)c2ccc(F)cc2)cc1 1448689506 SLIWPKLVLAOLGH-UHFFFAOYSA-N 455.533 1.341 30 10 JDEE C#CCN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)[C@H]1CCS(=O)(=O)C1 1459737393 BWLRXMJWJFOKBG-ROUUACIJSA-N 458.584 1.478 30 10 JDEE C#CCN(CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1459745086 WMTYYMDFFFPWGH-JENIJYKNSA-N 451.564 1.178 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CCO)Cc2cnn(Cc3ccccc3)c2)cc1 1466159267 ILKFTFTWRIVIGJ-UHFFFAOYSA-N 452.536 1.478 30 10 JDEE CN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)CC1)S(C)(=O)=O 1503435965 CGOCTUPBUIUKOK-UHFFFAOYSA-N 487.586 1.519 30 10 JDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(=O)N(C)C)c1 1504883413 ACEXDNFZYCCJHY-UHFFFAOYSA-N 453.547 1.631 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(S(C)(=O)=O)cc1 1507538656 ONXPMNHYUODMQG-CVEARBPZSA-N 466.585 1.121 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(C)on2)c1 1507551325 WKGXZFCEDWFZFT-KRWDZBQOSA-N 468.539 1.581 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507625162 HMEIWMNJFMNOMB-VQQMMKBISA-N 466.604 1.370 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507632498 MDGKXMRTKSREMR-KKLQWCBXSA-N 458.584 1.707 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507640633 UUHJQBARTPFPBU-PMAPCBKXSA-N 490.582 1.032 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1507733089 XMNJLBGNDSGMHC-LJQANCHMSA-N 473.599 1.446 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(OC)cc2)CC1 1507736019 JUYQNILHHFECPR-RUZDIDTESA-N 467.570 1.953 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1507746923 VCXLDPVWENQRJQ-JKSUJKDBSA-N 486.664 1.700 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1507844276 GVYLBABPWFVFCR-NQIIRXRSSA-N 453.609 1.074 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1507914969 QSZQRVLEQDRXBP-QGZVFWFLSA-N 489.650 1.731 30 10 JDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1507965822 QOVHZPZZVSQMLE-FQEVSTJZSA-N 460.604 1.861 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1cccc(Cl)c1 1508094576 ZDTWFUVGTPORIU-HNNXBMFYSA-N 467.979 1.651 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1539052344 CZLKDVUZWJHUIY-HOTGVXAUSA-N 465.580 1.776 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1539211176 ITCPAWKEYVZDNG-SFHVURJKSA-N 454.556 1.557 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539215940 LRPUFEXJGKNELD-KRWDZBQOSA-N 477.591 1.172 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(CCOCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1539221917 SOADBPFLXHVOMA-RBUKOAKNSA-N 477.631 1.843 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1539260600 QTMFVWFNPOEULF-MRXNPFEDSA-N 450.524 1.492 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(NC(C)=O)cc1 1539322879 AKQSHGGEZNQUJH-FQEVSTJZSA-N 453.568 1.844 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2COCCO2)CC1 1539489796 XVBMPFMKEGDTLF-FQEVSTJZSA-N 457.506 1.377 30 10 JDEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1539490874 JJFZICPBAQKVCU-HNNXBMFYSA-N 460.991 1.895 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCO[C@H]1C 1540119152 ASGIENRIPFWTHL-PNLZDCPESA-N 474.587 1.492 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(C(=O)NCC)CC1 1540863792 FQOUYWUNCBNULZ-UHFFFAOYSA-N 462.558 1.955 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1540900908 MPBMSWHMHBJOMP-LJQANCHMSA-N 459.620 1.157 30 10 JDEE Cc1ccccc1OCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1542783303 GOXYTLBOZPJHAM-QFBILLFUSA-N 462.576 1.594 30 10 JDEE COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c(OC)c1OC 1554929339 CHPDAOMQMIJKTA-CQSZACIVSA-N 478.575 1.702 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCN(c4ccccn4)CC3)n2CC(=O)NCC(F)F)c1 1555987027 GTAFVJMDFVLVNU-UHFFFAOYSA-N 452.469 1.920 30 10 JDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)cc1 1561059506 FHWZGJOFUYTHBT-UHFFFAOYSA-N 453.498 1.023 30 10 JDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1587904859 QKFXOCRYNOJSAQ-GOSISDBHSA-N 458.010 1.957 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccc(Cl)cc1 1587990404 WKHZAFIMPNWVHK-ROUUACIJSA-N 467.979 1.722 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588034073 AVFARMYCHMUVEL-TVTNDZMWSA-N 460.556 1.120 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1588039606 ARNQLRKJFCUZTF-RCCFBDPRSA-N 479.990 1.672 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H]1CC(=O)N(CCOC)C1)[C@H]1CCS(=O)(=O)C1 1588058745 BPZJZUPDWBYLGZ-UNMCSNQZSA-N 499.637 1.299 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1588064250 DTXGVPDVNPTRIR-YADHBBJMSA-N 477.675 1.994 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(-c2ccco2)n1 1588139186 NBGIBQXGRHKMHO-SFHVURJKSA-N 486.579 1.449 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCS(=O)(=O)C1 1588189424 JABRUCLTQHIIQZ-LJQANCHMSA-N 480.388 1.059 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2SCc2csc(C)n2)CC1 1588199503 RLXDBDAXKYLXSU-UHFFFAOYSA-N 450.611 1.969 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1589581650 UUINXJXLLUYLNW-QTEQDKRBSA-N 497.662 1.772 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1594626007 KEIODEIXHFXWHQ-NJYVYQBISA-N 496.678 1.514 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@H]1OC 1595290181 BQWZQRRSRXKPMM-FXAWDEMLSA-N 468.558 1.882 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)C[C@@H]1CCCO1 1595550892 JHNXSDQOPVUQGF-ZWKOTPCHSA-N 478.594 1.894 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1595594145 KYBHFPRSZKJADK-PGRDOPGGSA-N 499.591 1.287 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1595796626 ARYZIRPJHUIZLL-QGZVFWFLSA-N 479.578 1.857 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1595884094 HKHLUANAQPGWMG-QGZVFWFLSA-N 454.622 1.660 30 10 JDEE 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457.538 1.714 30 10 JDEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286545455 XJYSBPLZSYHSLD-UHFFFAOYSA-N 476.379 1.346 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1286592801 WLPVGYAKJIBRKY-LJQANCHMSA-N 480.635 1.559 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CCN(C(C)=O)CC2)C1 1286804062 KXDLVDYTLLVONO-OAQYLSRUSA-N 484.601 1.908 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCN1CCCCCC1=O 1288816356 CUKXTDNXBZARDG-QGZVFWFLSA-N 465.624 1.811 30 10 JDEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1296367322 COOMAIWGYFEHSN-UHFFFAOYSA-N 458.544 1.672 30 10 JDEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1300372603 JHSNTFMZLLYJAY-UHFFFAOYSA-N 484.576 1.781 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ncc(Cl)n1C 1300409233 GKZMWCBKLPBJLX-CQSZACIVSA-N 455.972 1.048 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCCN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1300493420 TXOVKKSKDBEGHO-JOCHJYFZSA-N 499.685 1.693 30 10 JDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1300496390 QUCHAUWPKIDZOQ-ZWOKBUDYSA-N 476.555 1.079 30 10 JDEE C#CCN(c1nnc(CSc2ccccc2OC)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1300505329 ZRIXUEIYXXKIRB-MRXNPFEDSA-N 462.597 1.731 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1300681647 WVJOKFPOYCSDLE-UHFFFAOYSA-N 463.586 1.457 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2ccsc2)CC1 1300710859 OBMOOLXZZFKGHM-HSZRJFAPSA-N 470.599 1.449 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1noc2c1CCCC2 1300914081 BGCQQPDBJHLRGS-IBGZPJMESA-N 464.592 1.929 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(Cl)nc2C1 1301257589 BGXFSBJCDNTRDW-SFHVURJKSA-N 497.021 1.815 30 10 JDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1301497822 FJYLRRAPTPEATR-IBGZPJMESA-N 457.623 1.761 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(NC(=O)N(C)C)cc1 1303822756 FJKPWQNWPXIPFV-HNNXBMFYSA-N 474.591 1.770 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1315066594 CJUHWMXJSQUEAI-IERDGZPVSA-N 460.560 1.140 30 10 JDEE C[C@H]1CN(CCN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C[C@@H](C)O1 1316504318 DCMNNTSSZAHOPB-JQVVWYNYSA-N 470.574 1.690 30 10 JDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCN(c2ccncc2)CC1 1358955158 FVBHIBJHIURTLX-UNMCSNQZSA-N 453.591 1.679 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358958565 QRRCWQVMVLKFLR-NQIIRXRSSA-N 452.584 1.928 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358959129 CEGXYUUQSRTQMM-ZWKOTPCHSA-N 463.007 1.960 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(F)(F)C1(OC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1358960514 GLAPFXJHUCPPIH-KRWDZBQOSA-N 498.556 1.136 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1358964389 YJYIVZRFXHFSGH-UXHICEINSA-N 471.583 1.159 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1359019993 OKJOWXVPLRTHSW-HTXNQAPBSA-N 488.346 1.648 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSC(C)C)CC1 1359045956 YXOPGPPBPGGGRM-KRWDZBQOSA-N 453.634 1.288 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCO[C@@H](C)C2)CC1 1359047237 XMYQNMXAYZSVFR-PMACEKPBSA-N 453.591 1.921 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C(=O)NC)C1 1359093038 JGTUWUCKYBTBTD-WBAXXEDZSA-N 493.406 1.979 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1359293934 FCLPVMDRXRRDKK-LJQANCHMSA-N 483.598 1.898 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1359302366 FETWAAPGBJASSB-KRWDZBQOSA-N 452.519 1.650 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(C(=O)NCC(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1359305977 RWTRJGKQCFEXRQ-FQEVSTJZSA-N 488.511 1.127 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(N(C)C)c1 1359473343 AHRHUZXPEBCMJO-VQIMIIECSA-N 461.592 1.321 30 10 JDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(S(C)(=O)=O)cc2Br)C1=O 1463604375 IAXHSILNHNCFIU-CYBMUJFWSA-N 451.364 1.260 30 10 JDEE C#CCCN(CCOC)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 1465124142 BVGFNXHJZLOAEP-UHFFFAOYSA-N 450.543 1.872 30 10 JDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1501156906 GVKBSYSTZLIFSA-HXUWFJFHSA-N 465.558 1.561 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1c(CC)nn(C)c1CC)[C@@H]1CCS(=O)(=O)C1 1507632786 PRBSMSMNJWUPLW-QZTJIDSGSA-N 474.631 1.705 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1507634324 JTUYBUABJIABNJ-QZTJIDSGSA-N 480.537 1.928 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CC(F)(F)CO2)n1 1507715645 ATFUKMLKZDDYJR-SFHVURJKSA-N 460.489 1.586 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCS(=O)(=O)N(C)C)CC1 1507722985 QEHMTQQESTVCFG-UHFFFAOYSA-N 453.572 1.140 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCCc2cnn(C)n2)CC1 1507733174 ZBEGUDCVDHBKOQ-UHFFFAOYSA-N 450.547 1.382 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCS(=O)(=O)CC)CC1 1507741133 VIRJTXAVXXFLEJ-UHFFFAOYSA-N 473.599 1.566 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCOCC1 1508007326 AFILAXPPIOCERY-SFHVURJKSA-N 497.643 1.407 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(NC(=O)COC)CC1 1508088047 VRZKTPUXADMISQ-UHFFFAOYSA-N 462.501 1.181 30 10 JDEE Cc1ccc(NC(=O)c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1C 1510932947 DKZCHVYXMAKBNC-JTSKRJEESA-N 489.577 1.871 30 10 JDEE C=CCCOCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1521489657 NIEXWWMJXXHNIO-UHFFFAOYSA-N 452.314 1.864 30 10 JDEE C=C[C@H]1CCCCN1C(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 1525020085 AYCCTUMCNRATKJ-IBGZPJMESA-N 451.527 1.622 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1539003012 KHNCNBGXKTUHSM-QZTJIDSGSA-N 497.625 1.947 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC2([S@@](C)=O)CC2)c1 1539038511 QMIQSUPUNQPSJS-PGUFJCEWSA-N 491.577 1.893 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 1539201598 ASJRDCJCHGXCIF-SFHVURJKSA-N 487.582 1.600 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1539232002 ZYJDCTAKXGXSID-LJQANCHMSA-N 484.582 1.698 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(Cl)cc1 1539370286 UBDHXFAGCGCDOF-GOSISDBHSA-N 467.979 1.803 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCn2nc(C)cc2C)CC1 1539468396 FNVNJBXGXCTFMT-RUZDIDTESA-N 483.617 1.800 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1539488496 KPZVDXJPYQEVIU-FNZWTVRRSA-N 481.597 1.980 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ncccc1F 1539668831 GRHSSJJGVMFJAH-QGZVFWFLSA-N 468.555 1.627 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCSC2)C1 1539751192 ICSVOVLGSHUTPI-XLIONFOSSA-N 471.649 1.537 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1539751819 VFSDEIAFFCZYCJ-PMACEKPBSA-N 467.636 1.322 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncc(F)cn2)CC1 1540036634 QFRGRMOKDCVUBC-MRXNPFEDSA-N 465.555 1.029 30 10 JDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1540048344 UIHUIQQNPJGBMR-LUKYLMHMSA-N 484.623 1.535 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(OCC(N)=O)CC1 1540865010 ROTZJGWYIJEPJC-HNNXBMFYSA-N 472.615 1.904 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@](C)(CC)C1 1540869391 LAHKOJDJGYTJBU-DEOSSOPVSA-N 465.558 1.982 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1540880433 GTWARRQDFSMCSL-UXHICEINSA-N 489.598 1.135 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)=O)C[C@H]1C 1540898147 AXKSGZGJIGYTJC-CQSZACIVSA-N 499.435 1.704 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)O[C@@H](COC)C1 1540900354 SHVNRZUIORKBNL-DOTOQJQBSA-N 464.544 1.515 30 10 JDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C[C@@H](C)O1 1555404427 FVXHOFRJIVFWKS-OXQOHEQNSA-N 454.531 1.495 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)CC1 1558072753 BRPROWVXVKFFTJ-UHFFFAOYSA-N 452.621 1.244 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N(C)C2CC2)c1 1587692439 DSDCHFGBJPRWJH-IEBWSBKVSA-N 484.626 1.719 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1587705673 GLIUDYSIERPWNJ-INIZCTEOSA-N 462.551 1.684 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N(C)C)Cc2ccccc2C1 1589151144 SEFWGOWPTWIKRK-FDDCHVKYSA-N 470.643 1.980 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1589731185 BKJYURRNGMQPBV-IBGZPJMESA-N 455.588 1.948 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1594680306 RFYZDVGZCJHBAF-HBFSDRIKSA-N 481.667 1.233 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1595562154 PCQBFOZZJWSKOP-FQEVSTJZSA-N 480.617 1.089 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1595812468 VIAAUCGVJRYOII-UHFFFAOYSA-N 460.604 1.559 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1595830719 FUJIZWMPYTXLHE-SJORKVTESA-N 475.571 1.181 30 10 JDEE C[C@H]1CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)C[C@H](C)O1 1612873589 FSSWQUSTXUBBRT-PMACEKPBSA-N 495.628 2.000 30 10 JDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)CC1 1618836119 BSYMONRZZDRQHC-UHFFFAOYSA-N 482.589 1.301 30 10 JDEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)[C@@H](O)c3ccc(C#N)cc3)cc2)CC1 1627804384 SRPRQXXHPPGPLY-DEOSSOPVSA-N 450.539 1.493 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)NCCCc2ccc(S(N)(=O)=O)cc2)ccc1F 1637160185 UDNLIBVHJLNTOG-UHFFFAOYSA-N 455.533 1.300 30 10 JDEE CC(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)CCO1 1649540620 DNLSJTYHFAAIJV-FQEVSTJZSA-N 485.570 1.786 30 10 JDEE C=CCN(C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 1659168984 KWWRIKFVJZDZTO-LJQANCHMSA-N 450.561 1.189 30 10 JDEE C#CCCCCn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1689906632 PTPHKYINNJADFA-GBXCKJPGSA-N 459.591 1.950 30 10 JDEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1689921047 RWQUXUBWLCOGKO-CQSZACIVSA-N 475.322 1.407 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1689930709 XWMVYXNFVMIPBN-PCCBWWKXSA-N 462.664 1.588 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC[C@H]1C 1690047512 SJAAUTUYDOKTIF-RTWAWAEBSA-N 476.647 1.338 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4ccccc4o3)n2CCCNS(C)(=O)=O)CC1 1690139172 CFMUJQFOTQXUIP-UHFFFAOYSA-N 484.582 1.596 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[S@@](=O)CC)CC1 1690140380 XBYSXKAYSKCUOY-YTTGMZPUSA-N 457.556 1.408 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](Cc2ccccc2)OC)CC1 1690146528 PUYQBDVYKSBWGD-FGZHOGPDSA-N 499.637 1.404 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1690182781 GOOUHEVVNYGVDH-QGZVFWFLSA-N 460.629 1.941 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCOCC3)nc2)CC1 1690364154 KSBXTRBPPOTSNC-QGZVFWFLSA-N 461.592 1.325 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1690526741 CYKDDEROBILPGO-NHCUHLMSSA-N 459.616 1.807 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C(=O)NC)C2)cc1 1690679497 WRVHXUACKJFMAX-LJQANCHMSA-N 477.525 1.490 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](COc2ccccc2)C1 1690723277 MJJFOFPRBXFVPV-PKOBYXMFSA-N 459.572 1.735 30 10 JDEE CCCNC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1695421456 CCJGKIBMWMVLKO-LJQANCHMSA-N 453.547 1.782 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nccnc2C)C1 1695945939 HNZLSVMOAOFCMR-LJQANCHMSA-N 466.571 1.676 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)CN1CCOCC1 1705599075 UZPFGUFLKQPEDA-QFIPXVFZSA-N 476.629 1.883 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)cc1 1705628670 MRSBDYQYMJTARX-FQEVSTJZSA-N 498.584 1.820 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1705632223 JMHZHGKWJHRGJR-UHFFFAOYSA-N 491.552 1.755 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCN2CCOC[C@H]2C)CC1 1705649955 IPBRGPACFFTGPN-OAQYLSRUSA-N 464.614 1.750 30 10 JDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705688332 QCEXJOUKNBATJG-INIZCTEOSA-N 481.395 1.352 30 10 JDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705724493 RPMCMPJSLUIUJC-HNNXBMFYSA-N 457.560 1.238 30 10 JDEE C=C(C)Cn1c(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1705728403 JGGHLVLFEUXIDU-WIYYLYMNSA-N 469.608 1.137 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1705754658 CPSWQEPSNKVVEG-ZWKOTPCHSA-N 479.006 1.281 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1705904902 BVYUFQNSSWMPEK-LLJLJFOGSA-N 455.559 1.952 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1705905441 VNJXHDGFXFKOGY-OYRHEFFESA-N 494.644 1.193 30 10 JDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)cn2)C1 1706933536 HGYXCMDRNOEPBF-PXNSSMCTSA-N 463.539 1.323 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC12CC(NC(=O)OC(C)(C)C)(C1)C2 1722275955 GQCUKXWYENTDAU-VKFLQFAXSA-N 466.608 1.794 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1722321314 CSSTVZDDDPNLQR-UHFFFAOYSA-N 464.574 1.473 30 10 JDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(=O)NC)CC1 1722328400 UOCRULINNTWAPZ-UHFFFAOYSA-N 458.592 1.421 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1722363949 DDCPEYGDFMMHRG-JJCDCTGGSA-N 461.613 1.192 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1722366696 JGODHNCZLMOOSZ-DHJUGAMNSA-N 476.574 1.846 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCS(=O)(=O)CC=C)CC1 1722436191 ZEZHCVXPIBXARD-UHFFFAOYSA-N 459.572 1.318 30 10 JDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1722598579 KXFKPHYYMRAQCW-IBGZPJMESA-N 480.635 1.501 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1722692385 KLHLYJPYIDAAIJ-IYBDPMFKSA-N 461.567 1.022 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1722724953 JUKQZEQVFPQGNX-GOSISDBHSA-N 452.625 1.135 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1722726487 BEPLCNUBONHBBZ-HXUWFJFHSA-N 483.598 1.223 30 10 JDEE C[C@@H]1CCCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)C1 1726582438 HQGNFPFQIJROKO-GOSISDBHSA-N 458.588 1.695 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN1CCCO[C@H](C)C1 1726732581 HHTPIIVDEQBKKG-LVCYWYKZSA-N 467.640 1.519 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(CC)CC)cc1 1740550232 ICZMBIRZXZUNGW-RXVVDRJESA-N 474.631 1.963 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(NC(=O)CC(C)C)c1 1740611213 XBXQHYDKLPTSED-HXUWFJFHSA-N 488.614 1.713 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1740616006 PPLJYQGKRZHMIO-LJQANCHMSA-N 464.551 1.909 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1740626807 WIZHKWVEIRXUNP-QZTJIDSGSA-N 463.654 1.739 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1740629037 YZUSFTNSASGUAE-IBGZPJMESA-N 494.639 1.535 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1740647960 ACBBDISYXBNZLU-OALUTQOASA-N 492.646 1.998 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N1CCOCC1 1740671569 JZTCKDHPBHTSEO-SFTDATJTSA-N 457.600 1.713 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(O)CC2)CC1 1740701757 CNNXULIGLGUJMY-UHFFFAOYSA-N 470.961 1.352 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1740708249 IIOVHCKXWYUTSH-QGZVFWFLSA-N 461.613 1.331 30 10 JDEE C=C(C)COCCn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740799084 GEFDCDHMFSVDQT-FCHUYYIVSA-N 468.620 1.926 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1740801510 BEQBOYOUHWQEMO-AWEZNQCLSA-N 473.024 1.973 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1740810988 KNSYWPBTSJSSQI-IAGOWNOFSA-N 489.042 1.496 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1740899606 FCBSPHFFWVCVAZ-ZWKOTPCHSA-N 498.650 1.880 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1740987717 LHWSAPHNPUZRHV-HNNXBMFYSA-N 493.586 1.239 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1740993411 AFIXMAPKNWOXGV-SFHVURJKSA-N 482.006 1.632 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1747603046 DSMPLVXCZQIXBG-SFHVURJKSA-N 480.616 1.112 30 10 JDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1748721733 LVSLOOLOAWQVIQ-UHFFFAOYSA-N 451.575 1.048 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1748734534 GCMBDMWLGKUCLK-SIKLNZKXSA-N 486.642 1.766 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1748811625 JNOOWUPFRGITPP-GOSISDBHSA-N 452.540 1.809 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1c(CC)nn(C)c1OC)[C@H]1CCS(=O)(=O)C1 1748817085 DWOYWKKBIYHMCG-SJORKVTESA-N 476.603 1.152 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1748819143 LIYOPPBLBHLEJA-OAQYLSRUSA-N 452.584 1.780 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(=O)NCC=C)CC1 1749001619 YAYBSWJSCCUKOQ-UHFFFAOYSA-N 497.987 1.130 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1749121667 OTRTVBNGPAPJSH-ZJOUEHCJSA-N 486.598 1.905 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(CC)C1 1749132072 YCSGQXVBVZUSES-NXWNEQKCSA-N 483.635 1.598 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1749229754 PKCUBFDTENYRRQ-IBGZPJMESA-N 493.634 1.665 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1749650931 JRCZFFOETUTHLJ-MRXNPFEDSA-N 481.586 1.567 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(C)(C)C(=O)NC)C1 1749706297 OFYUJCZXYAVLMQ-INIZCTEOSA-N 465.558 1.746 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCNS(C)(=O)=O)C1 1749719595 XXAQZSPUVKOKCZ-IRXDYDNUSA-N 484.623 1.681 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(C)=O)CC1 1749726939 KFLNNHJFYQAAPG-UHFFFAOYSA-N 454.556 1.763 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCOC2(CCOCC2)C1 1749738505 NXWDJSUXAOEEGP-UHFFFAOYSA-N 464.592 1.126 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CCC2)CCO1 1750013003 FHDPKAGBWPUQLU-PSTIOWGYSA-N 456.572 1.459 30 10 JDEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760145412 ONWSNYDXMFMCBR-FQEVSTJZSA-N 484.576 1.951 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1760188112 HWHQAHSJBFVZRT-FQEVSTJZSA-N 453.572 1.870 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1760193127 UQBODCCUTAIJDU-MANSERQUSA-N 452.577 1.198 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCCN1CCOCC1 1760206070 QGEJLRCDZYDPOQ-UHFFFAOYSA-N 462.602 1.637 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(N(C)C)Cc2ccccc2C1 1760243520 MYHYULIIWKAAEA-UHFFFAOYSA-N 450.587 1.699 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(F)(F)c2ccccc2)CC1 1760254113 NZEIFFXKABOEAP-MRXNPFEDSA-N 452.531 1.436 30 10 JDEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1760347020 YAGDWNYCFCWBBS-UHFFFAOYSA-N 451.575 1.780 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1S(=O)(=O)N(C)C 1760494932 AFBOBSVCLXHSHT-GOSISDBHSA-N 479.628 1.657 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1760526921 WFNOEADPFGHJEU-ROUUACIJSA-N 487.630 1.119 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1760553830 JEGSCAOOFAWLDM-UHFFFAOYSA-N 481.582 1.607 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCc1ccncc1 1761235511 BHUIXYGQNJSOJR-QGZVFWFLSA-N 460.546 1.431 30 10 JDEE CC[C@H](C)NC(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1762040972 GYUKBSJLSULEIA-YCRPNKLZSA-N 476.582 1.985 30 10 JDEE CCS(=O)(=O)NCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(CC#N)CC1 1766729260 BDFGONMTGGYVMI-UHFFFAOYSA-N 456.576 1.586 30 10 JDEE COC1CCN(C(C)(C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)CC1 1770613067 DOQJZLOQNQUXAT-CVEARBPZSA-N 455.629 1.374 30 10 JDEE CC(=O)NCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870349955 KHVKWPKHAOXPSP-UHFFFAOYSA-N 451.527 1.099 30 10 JDEE C=CCn1c(C(=O)NCCCCCO)cc2c(N3CCN(c4ncccn4)CC3)ncnc21 1873595073 NYPOBKWNDPCEMW-UHFFFAOYSA-N 450.547 1.626 30 10 JDEE CSCCN(CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(=O)OC(C)(C)C 2248413340 VRKWVCXIXJTGOY-UHFFFAOYSA-N 458.415 1.798 30 10 JDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN(C)C[C@@H]2CNC(=O)OC(C)(C)C)C1 2255196291 CISKOMXJNQAFDX-BNGSBABLSA-N 450.580 1.960 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255687566 JHYMQBDFEOEVKX-ZIAGYGMSSA-N 453.370 1.854 30 10 JDEE Cn1[nH]c(=NC(=O)OC(C)(C)C)cc1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256636456 MSJFRNQQETZUFK-UHFFFAOYSA-N 450.330 1.014 30 10 JDEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2257588897 AMOIEEOQDSVOHA-CYBMUJFWSA-N 455.386 1.790 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2266987047 UQOJYALUZMXGMT-IRXDYDNUSA-N 450.316 1.835 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2266991554 IBAPCKYDUMNHKO-DZGCQCFKSA-N 467.397 1.790 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC(C)(C)CCNC(=O)OC(C)(C)C 2267415932 IRHKSTFDXBQPOI-UHFFFAOYSA-N 472.417 1.691 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](CO)(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2267473229 BNFJYDRQZQFYGO-FQEVSTJZSA-N 488.437 1.698 30 10 JDEE CC(C)(C)OC(=O)N1CCC(O)(CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2267486309 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CCNC(=O)C(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1515982482 BLIUTDQBXBATNX-IBGZPJMESA-N 483.621 1.922 30 10 JDEE CN(C)c1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)cn1 1517003101 FLJVTUKXVGKFRJ-IBGZPJMESA-N 488.618 1.250 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1539072280 OQTTZQDCZCPVST-HCXYKTFWSA-N 451.593 1.276 30 10 JDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCN1CCCO 1539153669 HZGNDGCPEHTTIX-GOSISDBHSA-N 459.620 1.463 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1539206144 MNTPTTWCZGHXFU-DYESRHJHSA-N 479.628 1.645 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1539206872 WIAHDTXQKAFHTM-WOJBJXKFSA-N 478.640 1.881 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCSCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539219823 FQAKRGRCNSWJRD-MOPGFXCFSA-N 473.624 1.789 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1cccc(CS(C)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 1539231266 QIGDGQICBDVMFR-LJQANCHMSA-N 480.612 1.034 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@]2(C)COCCO2)n1 1539424953 ZUDUSOIKJYPOOO-AUSIDOKSSA-N 458.563 1.460 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1539453480 LNYNSSWIZQKBAO-UHFFFAOYSA-N 464.595 1.634 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1539481362 LVDLVRLMDQBMCZ-OAQYLSRUSA-N 464.570 1.546 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(N2CCOCC2)CCSC1 1539651071 YLJXLCHFRZMVPQ-PXNSSMCTSA-N 472.681 1.499 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1540871891 WRNNBIIVDNTKEJ-BGYRXZFFSA-N 473.666 1.795 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1540900402 UMJGQRVJYMYXJA-HXUWFJFHSA-N 450.586 1.561 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCc2c(F)ccc(F)c2C1 1540906848 DNOYOOOMFAHELO-UHFFFAOYSA-N 465.526 1.842 30 10 JDEE Cn1ccc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)n1 1554341102 BJVHKRGGNRPHSY-UHFFFAOYSA-N 484.586 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C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1690119339 AXVAPRZOESMSTN-LNVKXUELSA-N 461.526 1.235 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](COC)OC)CC1 1690124805 UZLYCIDEZSWGCF-PMACEKPBSA-N 476.622 1.809 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1690152617 RRHINIHWAZROKE-UHFFFAOYSA-N 473.599 1.373 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C(C)C)C1 1690174187 AFFYOOZOHUKKAV-IAGOWNOFSA-N 473.690 1.555 30 10 JDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNC(=O)c2cccc(O)c2)CC1 1690375670 QKLJVIXXILPFEM-SFHVURJKSA-N 459.572 1.862 30 10 JDEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1690491686 GCQJEBRSBVPHLA-UHFFFAOYSA-N 496.612 1.948 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1690499865 CRYOOVNVSVSTQL-HKUYNNGSSA-N 459.572 1.656 30 10 JDEE C=CCCOCCn1c(C2CC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1690507287 JGGPBVVJGXDZTB-KURKYZTESA-N 481.619 1.875 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2ccccc2C)CC1 1690644552 SATNYKNYDGSDLB-FQEVSTJZSA-N 460.604 1.428 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1690671605 ZVGXTPWXPWNMQB-KRWDZBQOSA-N 474.587 1.234 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](n3nc(C)nc3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690677399 WCWQSGAACCWIBI-AUSIDOKSSA-N 472.594 1.671 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1C1(c2ccccc2)CCC1 1690677937 FMKASSGYFUCEPV-UHFFFAOYSA-N 458.588 1.132 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1690722973 CXCWSEZWCUKPRF-HUUCEWRRSA-N 466.589 1.173 30 10 JDEE CC(=O)N1CCN(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@](F)(C#N)C2)CC1 1690870091 BTSVDDCZRMPWLV-PWHSHALESA-N 461.586 1.803 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCOC[C@@H]1OC 1694347441 GUVBYOBIASCSON-FPOVZHCZSA-N 496.616 1.841 30 10 JDEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1705519054 XASUBJMVMYQNPI-HXUWFJFHSA-N 450.568 1.947 30 10 JDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705529000 ZWPKGXYYXZSVGF-QGZVFWFLSA-N 459.572 1.895 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O)[C@@H]1CCS(=O)(=O)C1 1705564960 GGWYRKYFDZSFQV-UYAOXDASSA-N 489.617 1.977 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1705568238 JQMABRWUJYNQHJ-SFTDATJTSA-N 488.610 1.906 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1705571068 WLRFGHPZRUGHHP-LJQANCHMSA-N 483.598 1.060 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1705620966 MGSUCUGNIVMBPG-NRFANRHFSA-N 480.569 1.766 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@]1(N2CCOCC2)CCSC1 1705630129 HOPUHNSMCPLGTH-QFIPXVFZSA-N 476.672 1.928 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1705632004 UUGWGIGQFFVHNF-IBGZPJMESA-N 459.595 1.430 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(OCCN(C)C)cc2)CC1 1705637964 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C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccccc1Cl 1286466579 IBEWRGYCVTVXMZ-MRXNPFEDSA-N 452.964 1.999 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1286485814 ZCFGDZBREMPMOM-PMACEKPBSA-N 454.575 1.461 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1286561084 BFFHMKXGTRNGFG-IZIIKQMZSA-N 476.622 1.122 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)CC(N)=O 1286561467 NMWHNPPCGLJJJP-FCEWJHQRSA-N 475.619 1.920 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1286587311 HBQZZVLQQKDBCP-SFHVURJKSA-N 474.631 1.961 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1286592644 OLZOBPZSCSQZPC-AWEZNQCLSA-N 477.513 1.576 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286609256 YVTXILGIMHVIOH-DLBZAZTESA-N 460.622 1.176 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1296248699 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C#CCN(c1nnc(COCC)n1C[C@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1300503981 HSVIBKCDIBJYGY-PMACEKPBSA-N 451.637 1.809 30 10 JDEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1300504081 JMQAASCGGGUZOU-MSOLQXFVSA-N 473.624 1.784 30 10 JDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1300830114 DFHPBPMPGFYPIJ-OAHLLOKOSA-N 494.394 1.731 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(S(=O)(=O)CC)CC1 1301136733 BETYVLWTBQXPCY-HNNXBMFYSA-N 461.654 1.894 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1301152221 WOSFNXURWOSSKO-RBUKOAKNSA-N 482.651 1.566 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1301496548 CHVGROKSPUTSLN-QFIPXVFZSA-N 453.934 1.875 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1301539867 WUVRGOSHKGRAIB-ZWDAVXSWSA-N 480.562 1.888 30 10 JDEE CCNC(=O)C(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1313968984 HAZIYUQUMNYPGQ-LJQANCHMSA-N 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C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@]1(O)CCS(=O)(=O)C1 1507667270 LMCTVKTWHPSRDT-HSZRJFAPSA-N 465.535 1.613 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(S(C)(=O)=O)cc1 1507669991 XBJSSVKBHHDNEJ-IBGZPJMESA-N 474.608 1.289 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NCC 1507710491 HCGXHYCUMDAKLT-GOSISDBHSA-N 492.621 1.835 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1507716170 NLASNVFWWHXKPM-HXUWFJFHSA-N 485.633 1.916 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1507739419 BFWGFTUPIVNGCM-HXUWFJFHSA-N 499.637 1.874 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1507824513 AYDNLAJCNUCBTK-OAHLLOKOSA-N 455.606 1.641 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N(C)Cc2ccccc2)CC1 1507885049 QIVGTCQSDCGDDE-HXUWFJFHSA-N 488.614 1.426 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1508096631 BGDOZUNSYCGQJX-XMMPIXPASA-N 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453.952 1.569 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1539231619 WGVPYPCCRDQMOO-AZUAARDMSA-N 461.636 1.497 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1539265503 GZPNYQHBSHWJEF-ROUUACIJSA-N 477.587 1.094 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(C)cc1)N(C)C 1539325091 BRUUIGNJEUJZKC-XZOQPEGZSA-N 498.653 1.685 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1539498742 WHPQVELOPZEQBT-PMPSAXMXSA-N 486.664 1.604 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C(C)(C)O)c2)C1 1540882464 IZRXTMJQXWETAT-APWZRJJASA-N 463.604 1.945 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1540903512 FSKOROKTQZIWPW-AZUAARDMSA-N 480.679 1.456 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1 1545356333 WEXBBDXIWVKZCD-YJBOKZPZSA-N 451.545 1.352 30 10 JDEE 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1705939846 ODYFTHSRTFRPRH-AWEZNQCLSA-N 470.600 1.063 30 10 JDEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1709997569 BQXVXRWUFIMKEH-JOCHJYFZSA-N 481.601 1.613 30 10 JDEE CN(C)C(=O)COc1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)c1 1710991105 FTPOMMKJIDINFY-WOJBJXKFSA-N 454.531 1.764 30 10 JDEE CN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1)CC(F)(F)F 1711210002 HZRLHOWNAPMUKK-QGZVFWFLSA-N 476.507 1.922 30 10 JDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)CC1 1711351876 BCJQIGHBEUGDGM-UHFFFAOYSA-N 456.572 1.604 30 10 JDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OC)nc2OC)CC1 1722439962 WNTGQOLALJBSIV-UHFFFAOYSA-N 453.572 1.850 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1722456112 ZBNGMGGEGDHZKG-RTBURBONSA-N 473.624 1.962 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1722519148 LTSHUNSQRSUCAX-XBMUEBEBSA-N 481.667 1.281 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)C3CCCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722704707 WYLNMVICQCDENO-RUZDIDTESA-N 488.633 1.850 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722725157 HLZLACSPGWNGQA-UHFFFAOYSA-N 499.572 1.506 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1722727107 IOAIXTUSHNVHNI-GOSISDBHSA-N 481.582 1.825 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1722728874 ZTVPFXKNVMAOEB-UHFFFAOYSA-N 479.504 1.302 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1722729249 GVVQTYJCRUWINW-SPEDKVCISA-N 461.588 1.637 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(CC(=O)NCc3ccccc3)CC2)nnc1C(C)(C)C 1722732131 UXANUXXYXGECKO-UHFFFAOYSA-N 488.658 1.615 30 10 JDEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1728697409 HWLKALLZNJNSHK-QGZVFWFLSA-N 458.544 1.530 30 10 JDEE COCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)CCOCC1 1730514589 FBQSEPXHUOYWKF-PXNSSMCTSA-N 451.593 1.753 30 10 JDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(CS(C)(=O)=O)CC1 1740608109 APRQPWROIFEZJC-UHFFFAOYSA-N 468.583 1.959 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCNS(=O)(=O)CC 1740647485 PGNIWARHRZFPNM-UHFFFAOYSA-N 453.366 1.438 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CCN1CCN(C(C)=O)CC1 1740659543 WBYQDRIGEDVUAT-UHFFFAOYSA-N 452.534 1.623 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCO[C@@H]1C 1740680461 CIPQHVHSGHLIDB-AUUYWEPGSA-N 452.353 1.672 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1740688579 GVWXEEMNSNJIAO-UHFFFAOYSA-N 459.595 1.573 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CCC2)CC1 1740703226 KMISNPDZSXXZAE-UHFFFAOYSA-N 461.364 1.917 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCO[C@@H]2CCOC2)CC1 1740707277 WOYISOSRSHZQRN-HXUWFJFHSA-N 472.615 1.795 30 10 JDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740865629 PLBGNAQUXOTKQQ-UHFFFAOYSA-N 452.563 1.577 30 10 JDEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740940414 FFUJMHZRNWMCOA-QFIPXVFZSA-N 473.555 1.789 30 10 JDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740945669 KAAVZCJVDFEVDA-UHFFFAOYSA-N 457.564 1.357 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCc2nn(C)c(=O)cc2C1 1740956039 FWNDYQXLAZKRSM-UHFFFAOYSA-N 457.897 1.696 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1740959797 FELPOSHTAMRQOL-GOSISDBHSA-N 472.615 1.872 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740963083 YLPMMWWYNAKIDC-OAQYLSRUSA-N 465.602 1.108 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1740963328 HUJUYOOODDTDET-UHFFFAOYSA-N 495.628 1.521 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)COC)CC1 1740988642 LEFFSFDNWLTCOY-UHFFFAOYSA-N 467.979 1.494 30 10 JDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC1CC1 1748789072 HWOSAXPECWQZIU-QGZVFWFLSA-N 467.592 1.481 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1748789775 CJBHVXYFGUIFCC-BJLQDIEVSA-N 492.671 1.825 30 10 JDEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1748804521 IQBRXPHCWMYIDG-HXUWFJFHSA-N 469.611 1.853 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1748808780 NJJGBSHNZRYTHR-LJQANCHMSA-N 457.600 1.906 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1748812040 OXCHTDFBSMHBML-FQEVSTJZSA-N 464.551 1.974 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1748826010 KKKWFNUGWUUQCC-IAGOWNOFSA-N 466.608 1.607 30 10 JDEE COc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2CCS(=O)(=O)N(C)C)cc1 1748869412 FCSYKLISSPZZDQ-UHFFFAOYSA-N 462.576 1.887 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnn(CCOC)c1 1748891005 XTGDONLEHXVLFP-UHFFFAOYSA-N 473.585 1.806 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1748984682 PLGNZFCEBLSSQJ-HSZRJFAPSA-N 479.629 1.652 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC[C@@H]2CCCO2)CC1 1749001057 FXDALDMZGSWWLB-FQEVSTJZSA-N 472.590 1.066 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN(C)[C@@H](C)CC)CC1 1749001504 UNTNAGVLKKLMHO-SFHVURJKSA-N 466.590 1.622 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1749006480 PAHQNTBKTQZBPZ-BXKMTCNYSA-N 453.543 1.459 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncc(F)cn2)CC1 1749043594 JLZMTXYKOMTIOC-UHFFFAOYSA-N 455.567 1.762 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)CC(F)(F)F 1749067029 OVBCAJSPSCQUMV-MAUKXSAKSA-N 478.541 1.097 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1749193458 JWJKLZIFLMDVEJ-FQEVSTJZSA-N 493.605 1.900 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749216472 NYBPUAWPEGLNFM-QGZVFWFLSA-N 468.601 1.565 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1749268828 HRRNIASDUOPDQO-UONOGXRCSA-N 486.948 1.436 30 10 JDEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1749400746 LZVNNKVAZMQTBW-MSOLQXFVSA-N 478.594 1.894 30 10 JDEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C(=O)NC)C1 1749445594 SIRWZGVNQUTBCA-HNNXBMFYSA-N 453.341 1.580 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c(CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1)C(C)C 1749557818 MUEIZFDSKOVUTQ-NRFANRHFSA-N 471.650 1.810 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCN(Cc2ccccc2)C1 1749670608 VEJVVBWYBIMKPI-LEWJYISDSA-N 486.642 1.441 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1749734246 HANHPDBJXZPSJV-RTBURBONSA-N 494.639 1.784 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1749738218 JFYWIIKBIUZHOD-FQEVSTJZSA-N 492.690 1.745 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 1749829994 CRCKMYQXCIEKIS-QGZVFWFLSA-N 482.607 1.414 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CN(CC)CC)cc1 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JDEE C#CCN(c1nnc(COCC)n1CCOc1ccc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1286397617 TWDDGLHYUKKBDK-INIZCTEOSA-N 453.952 1.569 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1286420178 NEGISEDEZBLFMY-IAGOWNOFSA-N 466.608 1.607 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2OCCC2(C)C)CC1 1286487205 DRTDAJYDAJWEOK-CYFREDJKSA-N 459.591 1.711 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCS(C)(=O)=O)CC1 1286488855 WEORBDHYURNBME-UHFFFAOYSA-N 480.594 1.812 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCNC(=O)Cc2cccc(F)c2)CC1 1286491257 KOZUUESQBHQJJP-UHFFFAOYSA-N 468.577 1.940 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cccs2)CC1 1286592834 XSJVLFDJWXJESE-SFHVURJKSA-N 466.633 1.571 30 10 JDEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@H]2C1 1286700389 MJEQQJGRZPREAH-DLBZAZTESA-N 461.567 1.767 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1286788751 FGSINOOUPVKBBL-UHFFFAOYSA-N 473.581 1.766 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(F)(F)Br)C1 1286801242 XLPLXLOPNWYDIY-GHMZBOCLSA-N 458.329 1.657 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1286807952 IGFIULONJOBDID-INIZCTEOSA-N 457.535 1.810 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)(C)C)n3CCN/C(O)=C3/N=CC=CC3=O)C[C@H]2C)CC1 1286888643 ZXHIQWIBUDAZRR-WLSHBCHJSA-N 498.632 1.091 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(=O)C(C)C)CC1 1300364127 IAIJUYDGRGAQLO-LJQANCHMSA-N 480.635 1.109 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(COC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300492052 LIKUTLGSQBTHNR-GOSISDBHSA-N 458.588 1.959 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1300493436 UAVDZLPORFVOMU-IBGZPJMESA-N 456.576 1.291 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300504743 RKXHUADSRJWDLA-HXUWFJFHSA-N 488.610 1.642 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1300671453 JCQXYEZOQIUDKR-LJQANCHMSA-N 486.573 1.948 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCS(=O)(=O)N2CCSCC2)CC1 1300703110 AJSVDZPEIMKVDA-UHFFFAOYSA-N 480.685 1.064 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccccc1N1CCOCC1 1301500325 LBVJENAGPSIFCZ-FQEVSTJZSA-N 454.575 1.947 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNc2nccc(C(F)(F)F)n2)C1 1301555662 XYLCVZCNWGHDHD-KGLIPLIRSA-N 466.468 1.931 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1301567014 FANLSVSUFJVSSS-RDJZCZTQSA-N 460.560 1.530 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(F)(F)F)cs1 1358889348 AMHAKMRERZYJHI-RYUDHWBXSA-N 478.522 1.593 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1358964953 KRNHDEWDKHVLES-HXUWFJFHSA-N 481.578 1.978 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1359036850 LQANIFAXPXQSDJ-UHFFFAOYSA-N 461.545 1.897 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1359038823 MNQJHILPBKITGI-HTAPYJJXSA-N 490.402 1.915 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCOC[C@@H]2C)CC1 1359041568 BALFKLWABUSSSR-HWHXTQLESA-N 473.618 1.957 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359057911 MFONXUVWULHEOB-SJORKVTESA-N 491.618 1.167 30 10 JDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1359135659 KSYGCORDAWQYGK-UHFFFAOYSA-N 468.558 1.661 30 10 JDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1359197202 HITYXWVWUOHOHG-UHFFFAOYSA-N 477.591 1.510 30 10 JDEE C=CCCCn1c(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359220935 NJJKJSCXRUQOKE-NFBKMPQASA-N 497.662 1.916 30 10 JDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359283123 SPMBUHNFSJTQML-UHFFFAOYSA-N 454.922 1.634 30 10 JDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1359287807 XMIVRHCAFQCWFQ-SFHVURJKSA-N 464.636 1.279 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1359297972 IOXZUVSIDNDYOS-UHFFFAOYSA-N 482.976 1.987 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(C)o1 1359301052 QLUZLAALWCPQQL-FUHWJXTLSA-N 478.575 1.156 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1359301873 NZULAEDEQDGJEA-INIZCTEOSA-N 493.522 1.826 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2CCOC[C@H]2C1 1359327635 GYNWMVGHEFQFPS-IEBWSBKVSA-N 479.578 1.679 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1359331489 AXKMHGAMRPYPPC-KRWDZBQOSA-N 492.627 1.244 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H]2[C@@H]2CCCO2)nnc1[C@@]1(OCC)CCOC1 1359335298 HOBRPXZZRXTBIV-LVCYWYKZSA-N 454.593 1.679 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(NC(C)=O)CC1 1359336490 ROWPSVBAAMETDF-RTBURBONSA-N 467.636 1.902 30 10 JDEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC[C@H](O)C(=O)OC)c1 1447137396 INLDKVGTVFQOQL-SFHVURJKSA-N 452.916 1.985 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@](C)(Cn2cnc3ccccc32)C(=O)OC)c1 1456399971 CYLNFBYNDDBNHD-JOCHJYFZSA-N 456.524 1.862 30 10 JDEE CCc1nc(CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)C[C@H](C)C#N)no1 1498317975 CVZFWEWDGBNVMQ-OAHLLOKOSA-N 472.575 1.979 30 10 JDEE COCC[C@@](C)(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1504750400 GBLXKEVXIUNUOM-DYESRHJHSA-N 462.938 1.378 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(C)CN(C)C2=O)c1 1507548980 DIXQKGMRLHKUFN-FTJBHMTQSA-N 494.596 1.853 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507631810 GIFMREREGNLIGA-VQTJNVASSA-N 476.647 1.512 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1507631953 VWAOCUWXNKBLLM-JXFKEZNVSA-N 458.569 1.331 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1507638507 GCRHCLBKNDNISC-IERDGZPVSA-N 479.628 1.447 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCC[C@H](C)C1 1507670926 DXASJAFWJNHOGL-HBMCJLEFSA-N 476.647 1.194 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCn2cc(CO)nn2)CC1 1507734762 XEHUNZKNZSAJGT-UHFFFAOYSA-N 478.557 1.094 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1507824966 NRJFXLITTGGMHX-MRXNPFEDSA-N 466.583 1.934 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCN(CC)C2)CC1 1507901615 CFJKPNZRYPMUDK-MOPGFXCFSA-N 452.625 1.355 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1507954880 RELBKNWDVRSAJW-LJQANCHMSA-N 492.577 1.570 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3cc(F)cc(F)c3)CC2)nnc1[C@]1(OCC)CCOC1 1508096721 CMRAZYDBTOXGMG-QHCPKHFHSA-N 476.528 1.837 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(C)CN(C)C2=O)C1 1508122196 CUBXSYMDEHDOGJ-NXMSCROESA-N 490.605 1.846 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@H](C3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508149869 XNUMTYBHWYWFDL-LQBOVUBWSA-N 468.620 1.923 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@]1(O)CCSC1 1509683171 ICEQOTHLENEEHX-QFIPXVFZSA-N 473.578 1.622 30 10 JDEE C[C@@H]1CCCN(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)C1 1512218694 BKPBDIUBFKSCJU-MJGOQNOKSA-N 465.624 1.083 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCC[C@@H]2C)n1 1539422824 MFDFSEREFWKVRZ-CYFREDJKSA-N 469.590 1.548 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccc(C)nc2)CC1 1539434131 ABDAWGZDHHKVKM-UHFFFAOYSA-N 479.610 1.702 30 10 JDEE C=C(Br)Cn1c(N2CCN(c3nccc(OC)n3)CC2)nnc1[C@]1(OCC)CCOC1 1539610224 WOICSIHUHLYRBD-FQEVSTJZSA-N 494.394 1.964 30 10 JDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1540864345 XIZPWLQFYLWAOF-MOPGFXCFSA-N 465.558 1.595 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1540873672 FZLVDHHAMCCREV-UHFFFAOYSA-N 472.553 1.795 30 10 JDEE C#CC[C@H]1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1587044146 RTGNMBQTXCFXEI-KRWDZBQOSA-N 451.976 1.825 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 1588024507 FVBQAEJKVMZSHH-QGZVFWFLSA-N 463.510 1.467 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 1588811316 GGAAKEZTUKJFHZ-UGKGYDQZSA-N 498.653 1.512 30 10 JDEE C=CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1594545127 PVFBYWUZIWTDFR-LEWJYISDSA-N 493.612 1.762 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccco1)N1CCCC1 1594963646 WBYLXFLLULCDRR-IEBWSBKVSA-N 464.592 1.663 30 10 JDEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1595386806 IAYMVTHOZGXLGP-UHFFFAOYSA-N 457.560 1.504 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1595506627 HOPUGGLKVXKZIH-HNNXBMFYSA-N 489.374 1.829 30 10 JDEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2(=O)=O)CC1 1596483549 BOBKWNPGGSONTB-HXUWFJFHSA-N 456.572 1.889 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CCCCO1 1608578813 HKAHQSIANMHRKS-SJORKVTESA-N 453.551 1.362 30 10 JDEE COc1cccc(C(=O)NCCn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@H](C)C#N)c1 1619329761 FZHAYYLXXGYTCE-MRXNPFEDSA-N 462.514 1.960 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCO[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 1629436563 BOWHJGMAKFVQAX-KRWDZBQOSA-N 453.561 1.907 30 10 JDEE CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 1659410040 IFUYYFFNCUXMLO-BLLLJJGKSA-N 455.512 1.957 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC2CC2)nc1 1689853004 NVKMZVPRJDKABX-LPHOPBHVSA-N 474.587 1.301 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1689912834 BMZZBBUKCMQUNY-HNNXBMFYSA-N 457.560 1.977 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1689996601 KMSUFOSFNRTIAJ-FQEVSTJZSA-N 479.566 1.332 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)COCCO1 1690019948 VNDWHVDLOJXXGG-MBSDFSHPSA-N 459.547 1.465 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1CC1(O)CCS(=O)(=O)CC1 1690091262 NQFHWOLLTXVGKL-UHFFFAOYSA-N 483.569 1.983 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H](OCC)C2CCCC2)CC1 1690124402 KNICOKWNUWGGTG-NHCUHLMSSA-N 463.648 1.921 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1690411221 IDLPZARRSIOKKG-DLBZAZTESA-N 457.622 1.007 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1690661991 NUEKDXCDYSBZEP-HNNXBMFYSA-N 472.546 1.330 30 10 JDEE C#CCCCCn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705521536 DMCBTUOYYHYPCW-NTKDMRAZSA-N 472.590 1.889 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1705562891 MFFPZXDFORBFLN-DENIHFKCSA-N 455.540 1.249 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC1CC1 1705583254 TYGRTHVHWNNEOF-GOSISDBHSA-N 456.547 1.186 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1CN(C(=O)OC(C)(C)C)C1 1705622003 UVACLGBMMIPFTP-UHFFFAOYSA-N 469.546 1.878 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1705654121 YALNSEVGFWLLDK-UONOGXRCSA-N 468.571 1.328 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC2(CCOCC2)C1 1705661748 ILNJWAIPLJHINR-MRXNPFEDSA-N 456.659 1.649 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(=O)NCC 1705717849 TUROYBHNDPZMKC-INIZCTEOSA-N 456.613 1.176 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)Cc1ccccc1OC 1705903056 PGQHUTOAOCDIQQ-FUHWJXTLSA-N 461.588 1.558 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CCOCC)CC1 1705904529 RDACTRXAUAZYJH-FQEVSTJZSA-N 456.547 1.251 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N(C)CC(=O)N1CCOCC1 1705906931 TYPMYSMDTSWQRW-UHFFFAOYSA-N 456.547 1.071 30 10 JDEE CC(=O)N1CCN(CCn2c(Cc3cccnc3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1706005053 HUVMEHBDAPTPPA-UHFFFAOYSA-N 458.570 1.936 30 10 JDEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)NC(C)C)CC2)n[nH]1 1707768147 CEWPYSOQRAHKKH-UHFFFAOYSA-N 462.562 1.133 30 10 JDEE C[C@@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 1708243568 BEQSPRBSGKBHGH-OPYAIIAOSA-N 472.615 1.939 30 10 JDEE COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1712461485 AXSQUNJNXCGCTL-FQEVSTJZSA-N 472.571 1.423 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1722363003 YHHPTQTVJIFTCD-IERDGZPVSA-N 459.597 1.880 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722363769 VLYBBDFQCSCNIG-GOSISDBHSA-N 471.583 1.626 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1722371207 HUOWZQXADFLTHH-OAHLLOKOSA-N 490.636 1.710 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](N1CCOCC1)C(F)(F)F 1722380814 ZDEIYVCNDXZLKG-IBGZPJMESA-N 499.497 1.528 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1722690536 KIFWWAWVOZSTLI-UHFFFAOYSA-N 480.573 1.457 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(C)C)CC1 1722697672 OXVNSXFIZMXTAY-UHFFFAOYSA-N 464.574 1.272 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722699589 WKLPTJRSYYXMGF-IBGZPJMESA-N 481.605 1.059 30 10 JDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 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C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)Cc1cccc(F)c1 1740639450 UVJMDQJSPLZIIA-UHFFFAOYSA-N 462.485 1.577 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSC(F)(F)F 1740657421 RZTVGSOKMUNWEB-CQSZACIVSA-N 465.523 1.327 30 10 JDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)CCOC 1740671482 IJBYBILCNYAEQE-VGOFRKELSA-N 451.568 1.834 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ncnn2-c2ccccc2)CC1 1740691085 UHJSJDKGSCTLJU-IBGZPJMESA-N 450.547 1.386 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1740694217 CKEBTVRSMVXYHN-OALUTQOASA-N 452.550 1.631 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CC(=O)NCC2CC2)CC1 1740699571 LXYLRRNVTABHBL-UHFFFAOYSA-N 487.402 1.901 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CCCN(C)S(=O)(=O)CC 1740729245 BNYMDEKZIMMECD-OAQYLSRUSA-N 462.576 1.670 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOC)[C@@H](CC)C1 1740763856 QRXGHTPEFIFXHF-JTAQYXEDSA-N 460.623 1.929 30 10 JDEE 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1.083 30 10 JDEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2282571348 BLNDTNDORLNNLW-DYEKYZERSA-N 458.290 1.637 30 10 JDEE CC1(C)OB(c2cnccc2C(=O)N[C@@]2(C(=O)O)CCN(Cc3ccccc3)C2)OC1(C)C 2284473862 DLRJHFWZDRJTSQ-DEOSSOPVSA-N 451.332 1.840 30 10 JDEE C[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H]1CCCN1C(=O)OC(C)(C)C 2286860835 LRQDGIPIYXWWSR-GOEBONIOSA-N 484.428 1.786 30 10 JDEE N#C[C@](N)(Cn1cnc(I)c1I)[C@@H]1CC1(F)F 2307232833 CFOJZXBIYFRQLU-XNCJUZBTSA-N 463.995 1.969 30 10 JDEE COc1cccc(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Br)c1OC 2322659866 ZHROXBBDHYKOJK-GFCCVEGCSA-N 471.333 1.829 30 10 JDEE N#C[C@@H]1CN(S(=O)(=O)c2nc(NN)ccc2Br)CCN1Cc1ccccc1 2368119276 VVICUWJDZVQZDS-CQSZACIVSA-N 451.350 1.528 30 10 JDEE CC(C)(C)OC(=O)N1CCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@@H](CC(N)=O)C1 2369314650 UGGRQHUEVZTFIA-AWEZNQCLSA-N 464.347 1.821 30 10 JDEE COc1cccc(NC(=S)N/N=C2\C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c1 3037136 CXSFMZUTRXOFHN-NMWGTECJSA-N 489.579 1.383 30 10 JDEE CCc1ccc(-n2c(=O)/c(=C\c3ccc(N4CCCC4)c([N+](=O)[O-])c3)s/c2=C(\C#N)C(N)=O)cc1 12546936 LQRUXPFOXPMMEV-WAFZPUJNSA-N 489.557 1.958 30 10 JDEE N[C@@H](CC/C(O)=N/[C@@H](CS[C@@H]1c2ccccc2C=C[C@H]1O)/C(O)=N/CC(=O)O)C(=O)O 30728415 UWBZAZWPTVBBEL-OIPACUDHSA-N 451.501 1.407 30 10 JDEE in-man,metabolite NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 85591007 PRUUALROEXLFTP-AWEZNQCLSA-N 468.560 1.930 30 10 JDEE N=C(N)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 254398999 FTILSXDGSBLGOM-UHFFFAOYSA-N 453.528 1.377 30 10 JDEE C#CCn1nc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc2c1=O 585170927 UCXOIMBTBHLOME-UHFFFAOYSA-N 450.520 1.744 30 10 JDEE C=CCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)c1nc(C(=O)OCC)cs1 604534061 JFTWUVKMFNOPSF-UHFFFAOYSA-N 455.514 1.767 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1286380733 CZOCXXBTWVTNSS-UDKICSLYSA-N 468.620 1.354 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1286385653 YDQHBOXZDXKPNA-LJQANCHMSA-N 484.582 1.854 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1286393507 FBNQENXBEDKQRB-GOSISDBHSA-N 458.519 1.405 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1n[nH]c(C)n1 1286427480 IHGUPDWEVIRDHJ-SFHVURJKSA-N 468.562 1.719 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN(C)c2ccccc2)CC1 1286492489 GVJIJIYWGQZPGO-NRFANRHFSA-N 498.653 1.673 30 10 JDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NCCOC)CC1 1286530462 NMBVTFVYNXYFNY-UHFFFAOYSA-N 492.378 1.813 30 10 JDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1286769102 PNCBWLWFSWMAJX-MRXNPFEDSA-N 462.576 1.322 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1286814482 ASCXFZMHWWNHGO-GHTZIAJQSA-N 470.599 1.574 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1286820285 ITXNINLEOJTJRM-QZTJIDSGSA-N 451.593 1.712 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1300482877 IGXSBTODBTUMGA-INIZCTEOSA-N 458.569 1.789 30 10 JDEE C#CCN(c1nnc(-c2ccc(Br)s2)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1300485069 WJUUBEHYFYIOLI-GFCCVEGCSA-N 496.416 1.573 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1300501292 IVJDEJUBZDYTMH-IBGZPJMESA-N 456.547 1.954 30 10 JDEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CC(=O)N1CCOCC1 1300548996 VYPZRSIIZIJHFK-UHFFFAOYSA-N 472.343 1.551 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(COC)c1 1300579269 SJPNULUJCHDRRK-NRFANRHFSA-N 489.573 1.408 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)COC)CC1 1300717069 XGCQZTFQMVALPD-DEOSSOPVSA-N 461.607 1.957 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)[C@H]1CC 1300975542 WPYCQLMBSCYPBZ-LJQANCHMSA-N 476.603 1.503 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](c2nccs2)C1 1301484327 FIYRWCHBQYJFAJ-QGZVFWFLSA-N 488.595 1.685 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1301501593 ZIFNXFKROFCHLV-CQSZACIVSA-N 455.943 1.911 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1301578760 HYWADXDMQVDGHK-UHFFFAOYSA-N 472.619 1.547 30 10 JDEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H](C)C#N)CC1 1301774606 FPTJIYPPTQSQHB-SFHVURJKSA-N 450.547 1.489 30 10 JDEE Cc1cnn(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)c1 1304605793 ATOZFTWOFBOCKJ-UHFFFAOYSA-N 470.559 1.016 30 10 JDEE CO[C@@]1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccccc3C#N)CC2)CCOC1 1315268832 BOSZYXRLPVKNAB-HSZRJFAPSA-N 453.547 1.420 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1cc[nH]n1 1358891771 MFMMTDVEJOIZPQ-WBVHZDCISA-N 472.550 1.198 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1358929914 KVBAADPDLOOWID-SFHVURJKSA-N 496.634 1.472 30 10 JDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1358954297 CCWAKLXBXIDBCJ-VFCVWQGGSA-N 469.546 1.645 30 10 JDEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1358958973 ZIBKNYBFFCXLFV-MRXNPFEDSA-N 465.373 1.859 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1358963203 DKBLWSNBHVPILR-PKOBYXMFSA-N 497.042 1.703 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1359132806 FZCOXGCRPUNKLB-LJQANCHMSA-N 471.587 1.366 30 10 JDEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1359185479 XVQYZOJDMYRIGI-UHFFFAOYSA-N 465.562 1.891 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1359277033 AHGGZVKACLZNLD-WIYYLYMNSA-N 450.561 1.897 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1359301636 FILCNURYORURTN-UHFFFAOYSA-N 483.592 1.445 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1359304045 JRVVXSHBOSUGNN-UHFFFAOYSA-N 483.665 1.437 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 1359305332 ALXFKZAHJCSDDX-KRWDZBQOSA-N 496.634 1.666 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(F)F)CC1 1359332790 HDANRRYDEYSCLG-SFHVURJKSA-N 483.541 1.779 30 10 JDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 1468714764 FUIKGDWJALXAFJ-GFCCVEGCSA-N 452.393 1.801 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cnn(Cc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 1507623539 YRRIXVFVISDEPI-OAQYLSRUSA-N 495.609 1.336 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1507631861 GSQAQFVIOMPRAK-ZFWWWQNUSA-N 468.004 1.814 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1507633258 FEIPBFJYKOZIDD-IXDOHACOSA-N 480.537 1.314 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCC(=O)NCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507634896 OFXYZKANFXRJPX-JOCHJYFZSA-N 492.605 1.597 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCc2ccccc21 1507689624 LHPVITKNIJLKDI-NRFANRHFSA-N 472.615 1.523 30 10 JDEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507846686 TYEMVXXCFVOZHU-UHFFFAOYSA-N 486.592 1.582 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1508096540 AUNBNSUVDQDWHU-BVIKNXMNSA-N 455.625 1.757 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCc1ccn(C)n1 1510213217 IDBVDQYLOIXZIT-GOSISDBHSA-N 497.629 1.058 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCN(CC)CC2)CC1 1515990363 HKTCFKNCABQDPD-UHFFFAOYSA-N 493.660 1.102 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1nnn(C)n1)[C@H]1CCS(=O)(=O)C1 1539211947 LYRQJMAZWSGTHR-ZDUSSCGKSA-N 481.369 1.450 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539212990 YWMFPKWVFPUVPY-ROUUACIJSA-N 461.563 1.432 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)CCCS2)CC1 1539480917 GPKLRRHWMMZBNK-DYESRHJHSA-N 465.645 1.432 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2nncn2C)CC1 1539489719 WGSDTPOXEKXXIL-UHFFFAOYSA-N 462.558 1.617 30 10 JDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539752070 AQPBCENXOPWKJZ-UHFFFAOYSA-N 487.630 1.498 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccc(O)cc2)CC1 1540897835 TWRDUYIMKHSIAP-MRXNPFEDSA-N 497.643 1.579 30 10 JDEE CC(C)C(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1541259710 HOBSPHRJLXBGOH-QHCPKHFHSA-N 486.598 1.061 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCC(=O)NC1CC1 1541680861 FYLBQCMRJIROST-HXUWFJFHSA-N 465.558 1.925 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(O)CCC1 1545920855 BGOJUXDAVWRYCQ-INIZCTEOSA-N 467.578 1.488 30 10 JDEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)C1 1555776859 HJLNBDVXBCVNCF-OAQYLSRUSA-N 453.591 1.980 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC(C)(C)c2ccccc2Br)CC1 1564392670 UJSGCPYBQGLESA-UHFFFAOYSA-N 457.394 1.522 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1587766866 ZRKRXQICACOMNX-SFTDATJTSA-N 462.664 1.588 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588049348 FGMGCDOTHIADFM-ZWKOTPCHSA-N 497.625 1.951 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCc2nccn2C1 1588098868 CANHRIOJBNQTLX-LJQANCHMSA-N 477.594 1.727 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCOC[C@@H]1C 1588695148 DUXQGLCEWZUMAW-SLFFLAALSA-N 476.622 1.856 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1588908711 VKUNFGJDACVINV-MRXNPFEDSA-N 476.002 1.999 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1588961551 DCQJILHBZHEDJX-NRFANRHFSA-N 483.661 1.734 30 10 JDEE C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1595369543 MXRIDKOMMONOBI-GOSISDBHSA-N 470.574 1.566 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1nc(O)c2sccc2n1 1595577029 GVVPTIYOPMYAJI-UHFFFAOYSA-N 498.594 1.919 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1595595793 ZNXYUKBLBWWWFI-HSZRJFAPSA-N 454.531 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30 10 JDEE C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705893075 BVSFZRCMXAUIRV-UHFFFAOYSA-N 470.599 1.572 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705933093 UFUNAVGHZXGLPG-UHFFFAOYSA-N 472.615 1.290 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705936544 SRCZONQBKQCQIZ-QGZVFWFLSA-N 464.592 1.303 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1705938010 KWNBJAAMVIYPQX-FDDCHVKYSA-N 492.598 1.851 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccsc2)CC1 1710989191 AYBXBXGHZFCKIW-XMMPIXPASA-N 479.610 1.996 30 10 JDEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1711021476 HZRZISAXAPWHRJ-WOJBJXKFSA-N 474.587 1.768 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1722325110 FJGMYXAPZOLGLQ-QFIPXVFZSA-N 459.572 1.605 30 10 JDEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722461569 RVPZROBBQXIAES-UHFFFAOYSA-N 453.547 1.961 30 10 JDEE 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C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1507711855 ZZQJRTGJNFOJDZ-LJQANCHMSA-N 469.571 1.408 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC 1507765435 OZVGKCDIEZZWFU-JOCHJYFZSA-N 454.556 1.619 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)c1cccc(O)c1 1507773597 UPJBSVSDMMBAGR-FDDCHVKYSA-N 471.583 1.698 30 10 JDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507969538 CSZYSPBDWKAHHQ-LQWHRVPQSA-N 453.609 1.757 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1507980486 HEUYBDMSAJGEAS-VSZNYVQBSA-N 481.619 1.827 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)nnc1C(C)(C)C 1508096532 AUAHUHAFJPMHNR-HXUWFJFHSA-N 465.602 1.805 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C[S@@](C)=O)cc1 1508423603 IEGJODIECIMWIY-HIJOBJJASA-N 494.643 1.134 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCN2CCSCC2)c1 1539039355 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C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCS(=O)(=O)C1 1539400712 KQSMOTRFIBTNFP-AWEZNQCLSA-N 470.393 1.567 30 10 JDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1539453724 CUZNNNHPFIYFGS-JOCHJYFZSA-N 455.651 1.709 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)CN2CCOCC2)CC1 1539473812 BYLZYHHVHMAYSV-GOSISDBHSA-N 486.020 1.928 30 10 JDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](C(N)=O)C1 1539516794 CVSIOUSZZNKXDQ-SFHVURJKSA-N 454.604 1.520 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CCCCC1 1539556349 BOSBEHNNSILRIT-WWPVKYPJSA-N 479.647 1.934 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@]23CCC[C@]2(COC3)C1 1539573596 AWPTWNNQNJJWHQ-RRQGHBQHSA-N 460.398 1.804 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCSC2)C1 1540037458 LRUHASIHXXNPHA-PXNSSMCTSA-N 471.649 1.537 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1540038266 YMFSZNRFZOZWOY-IXDOHACOSA-N 477.578 1.931 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1540868574 JSVZYUMVILKBSG-UHFFFAOYSA-N 468.949 1.483 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1540901921 UZAYXPTWSDCLNU-INIZCTEOSA-N 456.572 1.705 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)CC1 1552738867 HGIMUYLAGRXFSV-UHFFFAOYSA-N 480.617 1.138 30 10 JDEE COC(=O)N1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1554548374 BNXKLHKMZOOUNS-YWZLYKJASA-N 467.596 1.497 30 10 JDEE N#C[C@H]1COCCN1C(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1 1565731276 ANFGRWWMBKWGJZ-ROUUACIJSA-N 455.540 1.864 30 10 JDEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NC)CC1 1587769800 OHIJNOWWQGQJOX-GOSISDBHSA-N 475.594 1.851 30 10 JDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1587783167 LDRFGIMVQOSWAG-UNMCSNQZSA-N 469.634 1.583 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588040512 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C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1690464465 BYYNTGLLAJKPHV-QYZOEREBSA-N 469.608 1.352 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(N2CCCNC2=O)CC1 1690665455 DQEOTNXFQUNGGE-UHFFFAOYSA-N 483.573 1.649 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1690673799 FFLZVLVMACLFNR-UHFFFAOYSA-N 452.588 1.966 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1690719406 LRJJQCLANWRAMY-RTBURBONSA-N 489.598 1.811 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(Cc2cc(C)no2)CC1 1690722854 XYSXSWQAESNXJK-UHFFFAOYSA-N 457.560 1.560 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1690729193 IMVTWVMZDJVWJO-MRXNPFEDSA-N 492.627 1.072 30 10 JDEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705509985 QXCHZUOZWHOHCU-UHFFFAOYSA-N 481.557 1.638 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1705563957 IKHJEDFWVHHQPD-SJLPKXTDSA-N 482.532 1.851 30 10 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463.608 1.411 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)CN2CCCC2)CCO1 1706048863 FHGCBPINFQSKJT-GCJKJVERSA-N 451.575 1.890 30 10 JDEE C[C@@H]1CCC[C@@](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)(N(C)C)C1 1708026849 DXJJEXUUVWQEHH-KKLQWCBXSA-N 493.678 1.861 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1710884637 FMJJSMWNGNXSSN-UHFFFAOYSA-N 459.576 1.190 30 10 JDEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1711520846 FJFLZWLBVBUSPD-IBGZPJMESA-N 467.574 1.508 30 10 JDEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)cn1 1712464939 AUHQIGPSZLLGJJ-UHFFFAOYSA-N 469.571 1.721 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccnc(-n2cccn2)c1)[C@@H]1CCS(=O)(=O)C1 1722358270 FPCYCOCMFJXOTO-GOSISDBHSA-N 453.572 1.831 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCOC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1722366255 HSZBFKISIITRMQ-AABGKKOBSA-N 466.604 1.385 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1cccc(C(F)(F)F)n1 1722372638 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494.596 1.919 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nnc(C)s1 1760336846 KIVQHUJSBSNXIY-HNNXBMFYSA-N 455.610 1.416 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1760346054 FYXMQXUNLDHDDU-DENIHFKCSA-N 461.588 1.939 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1760346112 IQOUDZQYNIDASP-NRFANRHFSA-N 495.694 1.182 30 10 JDEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1760361487 ZEQAGYUBHAVFCB-UHFFFAOYSA-N 479.585 1.401 30 10 JDEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1760460275 YBFXXRSMAKUDMK-GOSISDBHSA-N 471.377 1.888 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](CNC(C)=O)C1 1760522120 LYRBCCYZQKAVDJ-YLJYHZDGSA-N 454.531 1.445 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760552537 RIWJINOPSCTRCO-JOCHJYFZSA-N 490.561 1.500 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1760558523 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C=CCn1c(C(=O)N2CCC(CO)CC2)cc2c(NCCN3C(=O)CSC3=O)ncnc21 1875232721 VUBHFJITDQMWKG-UHFFFAOYSA-N 458.544 1.569 30 10 JDEE CC(=O)N1CCN(C(=O)c2ccc(C(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)cc2)CC1 1891977836 AZNICSBJMWXWTP-HXUWFJFHSA-N 462.510 1.336 30 10 JDEE C[C@@](NC(=O)C(F)(F)F)(C(=O)N1CC(O)(C2CCN(C(=O)C(F)(F)F)CC2)C1)C(F)(F)F 2180830247 PXZOIQAHNRAJRI-GFCCVEGCSA-N 487.319 1.360 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256676849 RIWQYVKXYIPBGX-YUNKPMOVSA-N 450.370 1.845 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)N3CC(CB4OC(C)(C)C(C)(C)O4)C3)O[C@H]2C1 2265162533 YSVIEWZNTYSBMF-ULQDDVLXSA-N 452.357 1.940 30 10 JDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCC(NC(=O)OC(C)(C)C)(C(N)=O)CC2)C1 2266525166 VKNUTOAMFDPASJ-UHFFFAOYSA-N 464.563 1.664 30 10 JDEE CC(C)(C)OC(=O)NCC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCOCC1 2267141813 ZDJOGJRKGYMXGW-UHFFFAOYSA-N 450.345 1.513 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@]12C[C@H]1CN(Cc1ccccc1)C2 2267371272 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30 10 JDEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283055940 KKBBWWXCOJPUTA-AGIUHOORSA-N 456.274 1.693 30 10 JDEE CC(C)(C)OC(=O)N1CCN(CCN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)CC1 2345744837 FXXCSFFRYDUFNE-UHFFFAOYSA-N 450.364 1.906 30 10 JDEE Cn1ncc(C(=O)N[C@]23CO[C@H](C2)[C@@H](NC(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2359263059 FEVROZOYQXZKAT-KIMHZCHSSA-N 462.356 1.274 30 10 JDEE COc1nc(O[C@@]2(C(N)=O)CCN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365381632 CTURSOMMMWDVGL-QFIPXVFZSA-N 463.340 1.633 30 10 JDEE COC(=O)c1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 17740980 JHDFVYODCHTUPW-IBGZPJMESA-N 459.524 1.091 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2OC)c(=O)n1-c1ccccc1C#N 515663704 IZCJPZXKYHCRSJ-UHFFFAOYSA-N 472.526 1.593 30 10 JDEE COc1ccc(/C=C/C(=O)[C@H]2C[C@H](NC(=O)CNC(=O)c3ccccc3)CCN2)cc1OC 585827500 BMGVWEZBLYNSBI-VGKNGNLDSA-N 451.523 1.953 30 10 JDEE C#CCN(C(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O)[C@@H]1CCS(=O)(=O)C1 729331902 IEIXSECJNQWWDO-WCQYABFASA-N 453.314 1.083 30 10 JDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 919928179 VJTVBNMDJJBLGU-GOSISDBHSA-N 450.513 1.889 30 10 JDEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)CC2)cn1 1154223322 HJDJQJAHRUEZTN-KRWDZBQOSA-N 457.531 1.842 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)N2CCOCC2)c1 1286309644 TWHLIFDDQTUJFD-FNZWTVRRSA-N 496.612 1.707 30 10 JDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1286369908 XXDTWTHTTZSROC-UHFFFAOYSA-N 454.556 1.569 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1286380879 JUDMIGYBWZQHJL-INIZCTEOSA-N 464.617 1.359 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1286382494 JIPHJGGHCIXMOK-IPJJNNNSSA-N 465.620 1.041 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccco1)N1CCCCC1 1286446392 FPPIZBBRWLFFJE-CTNGQTDRSA-N 490.630 1.891 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(F)cccc2OC(F)F)CC1 1286470957 GVQSVHNSJJHCHZ-UHFFFAOYSA-N 450.465 1.960 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1286489337 ORWRPTQKFBVOKS-SFHVURJKSA-N 483.960 1.553 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1286770446 LCXYSXFMYWCKDY-QGZVFWFLSA-N 496.659 1.489 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1286784095 WGFVPWVAZXZHAC-MOPGFXCFSA-N 465.562 1.863 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(O)(Cc3ccccc3F)CC2)nnc1[C@@]1(OCC)CCOC1 1286793195 VGUIHFISKSOKAR-RUZDIDTESA-N 487.576 1.946 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1286818808 OVAVOXKIVZPFDG-UHFFFAOYSA-N 482.566 1.617 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC1CCOCC1 1288858378 FSDPFROXWYVLGE-INIZCTEOSA-N 491.593 1.652 30 10 JDEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)N1CCOCC1 1288945045 HVAPULLWSOOELM-CRAIPNDOSA-N 460.922 1.659 30 10 JDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1300409259 QXVRRGTWBQKWEV-FQEVSTJZSA-N 450.543 1.543 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300502787 XNVOJIUQTOSYDE-HXUWFJFHSA-N 499.618 1.365 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1300503205 BFTRQPLRELDUHW-ZWKOTPCHSA-N 460.556 1.529 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1300504535 OKWVCHQRGRWZPN-DYESRHJHSA-N 480.587 1.491 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccoc2)CC1 1300700990 ZMWPHXIQGVDACS-LJQANCHMSA-N 456.547 1.983 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1300710608 IJYDTTFUTONEKC-DEOSSOPVSA-N 487.004 1.943 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1300718164 DETBEIVDAGTXBH-HSZRJFAPSA-N 465.514 1.297 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1300972990 SVZMPMHIYABTBW-SFHVURJKSA-N 472.594 1.935 30 10 JDEE COC[C@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@](F)(C#N)C1)OC 1301028723 AIOUVRXEJOEIJB-URXFXBBRSA-N 471.581 1.746 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1301458868 HFJBLFQMTGBSOF-GOSISDBHSA-N 462.532 1.874 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1301496636 DVUPYBSCCDOROG-KRWDZBQOSA-N 471.562 1.681 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(NC(=O)c3ccoc3C)CC2)nnc1[C@@]1(OCC)CCOC1 1301519596 PVMDLSOXFNVWKS-XMMPIXPASA-N 486.573 1.533 30 10 JDEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1309428152 AEOLOWVITLWMOJ-IAGOWNOFSA-N 459.613 1.598 30 10 JDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N2CCSCC2)C[C@H]1C 1313935227 GCHVCEUIAPMWQF-GOSISDBHSA-N 489.671 1.726 30 10 JDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1314943985 GMHOODNOCPQFJN-UHFFFAOYSA-N 475.557 1.618 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(=O)(=O)CC 1358875654 UESDRVLHMPWBES-AWEZNQCLSA-N 452.606 1.439 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(I)cc1 1358948951 PMJIJEYFFOWTRY-CQSZACIVSA-N 470.336 1.903 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 1358961293 VZJATPSROVBRGG-SFHVURJKSA-N 452.540 1.809 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358965258 QXQDYGJVIXYCPK-SGXKBVARSA-N 462.547 1.175 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1359038431 WDAMHEVSDUHYHU-HXUWFJFHSA-N 476.576 1.251 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2ccccc2F)CC1 1359041391 VJODVGYOSWAYMP-QGZVFWFLSA-N 490.605 1.626 30 10 JDEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2CCOC[C@@H]2C1 1359050784 CGDPGGZAUYPPSD-SFHVURJKSA-N 473.599 1.858 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2)C1 1359057674 GAMMKPJVBULBCO-WOJBJXKFSA-N 491.639 1.555 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1csc(C)n1 1359301075 RCDIZDRYTBMVIY-SJORKVTESA-N 495.631 1.020 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCc3nn(C)c(=O)cc3C2)cc1 1359306803 QUMXSKHSCGFILE-INIZCTEOSA-N 499.597 1.158 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NCC)CC1 1359309848 FUVFCUWRZHBHPB-LJQANCHMSA-N 467.574 1.100 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](OC)C1 1359333302 UBFNHDZAOCPTKY-IAGOWNOFSA-N 485.607 1.412 30 10 JDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1CCN(C(=O)OC)CC1 1499328579 HRBXHZXEXBZRAC-HXUWFJFHSA-N 481.557 1.922 30 10 JDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1501434136 BZAIDODERZVHAR-OAQYLSRUSA-N 478.557 1.617 30 10 JDEE COCC[C@](C)(O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1504753009 CRNMIRXVFXUREB-CVDCTZTESA-N 455.563 1.900 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1507522271 URBDKFPIAQCNLX-QZTJIDSGSA-N 488.614 1.148 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1507625259 HXKXMPGOCKJDBS-FQEVSTJZSA-N 499.618 1.613 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1507628462 WRZIOUGDNJTNFV-WIYYLYMNSA-N 479.628 1.565 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(=O)Nc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1507631136 BLPKVWDEWFOUGZ-RBUKOAKNSA-N 475.546 1.924 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1507633593 FFRLJLPXIXLSTQ-MJGOQNOKSA-N 456.572 1.426 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2c3ccccc3C[C@@H]2C)CC1 1507719814 BDKWAZMKZVSQAV-OALUTQOASA-N 471.631 1.095 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCOc2ccc(Cl)cn2)CC1 1507720702 WDBKSYQLAVCDQB-QFIPXVFZSA-N 460.966 1.813 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2cccc(C)c2)CC1 1507739233 ODZMKWWJFIPZSK-FPOVZHCZSA-N 499.637 1.922 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(=O)OC)C1 1507916871 VQFBHTZYBJCFTJ-HZPDHXFCSA-N 455.581 1.213 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1508073871 MXTWPIVYVWNHFG-UHFFFAOYSA-N 489.462 1.571 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1508075583 XLNYOIVDJDHHSD-UHFFFAOYSA-N 487.008 1.430 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1508079100 OBIVPIVTLFFLGT-MRXNPFEDSA-N 472.546 1.979 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1508091349 KNJZMLOUXZPXFI-UHFFFAOYSA-N 478.557 1.110 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1508091638 WCNJRGCIZJYBFX-IBGZPJMESA-N 472.565 1.944 30 10 JDEE Cc1cc(C)cc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)c1 1510574927 AJENURJGFWLHOU-KNQAVFIVSA-N 476.578 1.913 30 10 JDEE CO[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1517770556 BFOUAJBWUJTPNT-UXPWSPDFSA-N 490.586 1.095 30 10 JDEE COCC(C)(C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1518673867 DYKPCOCVSCSCBS-OXJNMPFZSA-N 472.587 1.506 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(Br)ccc2OCCOCC)C1=O 1536877688 GTLRVKZEWRZFGG-UHFFFAOYSA-N 454.277 1.780 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCC[C@H]1CO 1538970525 CAXPLMUGINDFBB-UEXGIBASSA-N 474.631 1.351 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 1539040262 PEOYZFIJGICSGH-IBGZPJMESA-N 493.593 1.678 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(F)(F)Br)[C@@H]1CCS(=O)(=O)C1 1539231390 VQECASOCWKSYTJ-GFCCVEGCSA-N 480.335 1.015 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 1539428266 OOUKRLMHBAEMEN-HSZRJFAPSA-N 479.629 1.463 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cc(C)nn2C)CC1 1539489690 VTZZXYVNPRAKQK-UHFFFAOYSA-N 480.598 1.326 30 10 JDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1 1539706895 WHSXBSOSVQGIBF-SFHVURJKSA-N 471.562 1.819 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2N2CCOCC2)CC1 1539829352 XCVZHBPUDZTMBT-SFHVURJKSA-N 460.604 1.930 30 10 JDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NCC)CC1 1540033651 OALIOLQSWAYFID-UHFFFAOYSA-N 480.573 1.636 30 10 JDEE C=CCn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1540859415 AVMVTDWMNQCJMZ-UHFFFAOYSA-N 452.559 1.147 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1540867861 KGRHBTZPYHMXBT-HXUWFJFHSA-N 451.575 1.299 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1540870421 MVSYLCJPLDGIPY-HNNXBMFYSA-N 458.485 1.369 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1540905039 QBXXMXHYSDQKJD-SJLPKXTDSA-N 463.991 1.838 30 10 JDEE Cn1cc(C[C@H]2CCN(c3nnc(COc4ccc(C#N)cc4)n3CCNS(C)(=O)=O)C2)cn1 1554336598 GUZHNRRESBUTJH-GOSISDBHSA-N 484.586 1.080 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2Cc2ccc(O)cc2)C1 1555812750 IEBHXMHJBTUXGJ-IBGZPJMESA-N 460.560 1.495 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(=O)N(CC)CC)cc1 1587561796 IRDGPLCWSUTRCV-IRXDYDNUSA-N 460.604 1.877 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)nn(-c2ccccc2)c1C 1587990358 WEMSJEJBRHEYPU-OAQYLSRUSA-N 483.598 1.531 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1588049340 FFUBSCBJBPZQPN-QGZVFWFLSA-N 460.510 1.826 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1588053972 JHPYQXMTHXNWNC-UXHICEINSA-N 458.584 1.968 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CC1 1588865077 PMJJRFIYPKBWEL-JOCHJYFZSA-N 463.586 1.331 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(C)(C)OC)CC1 1588907995 JSNQLYYNYFRQEO-UHFFFAOYSA-N 463.546 1.312 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCn2cnnn2)CC1 1588962142 WHCJFRXQPVPFKY-UHFFFAOYSA-N 483.964 1.553 30 10 JDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCN(CC)C(=O)C1 1589069036 HXTNSABOIKNJEA-UHFFFAOYSA-N 468.631 1.877 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cnn(C)c2)CC1 1593695975 KCOLQJRFNLURCP-INIZCTEOSA-N 451.597 1.599 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1595784992 PJYMREUUPWZZSU-UHFFFAOYSA-N 479.607 1.584 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1595785190 SXSOQIMTUWRYSO-UHFFFAOYSA-N 487.674 1.936 30 10 JDEE CS(=O)(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(N)=O)CC2)CCCC1 1620148720 BPGLMHGQUDEIMA-UHFFFAOYSA-N 456.572 1.876 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)Cc2ccc(Br)c(Br)c2)CC1 1626966848 TVFYVGBXXHUZGS-UHFFFAOYSA-N 457.166 1.648 30 10 JDEE C#CCC[C@@H](O)CNC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 1633895755 QCLVDGKTIDATQR-JOCHJYFZSA-N 455.580 1.697 30 10 JDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCc2ncc(Br)n2C1 1648684571 BDIMQPJMJXUBAI-WCQYABFASA-N 452.334 1.315 30 10 JDEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)CCOC1 1649663424 FXUAKDKOUZBOMG-DEOSSOPVSA-N 461.526 1.980 30 10 JDEE CCN(C[C@H](C)C#N)S(=O)(=O)NC1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1664045656 BUDJORCKSNVKQG-IAGOWNOFSA-N 456.634 1.931 30 10 JDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1689902286 YTLINAUGFUZVFZ-AUSIDOKSSA-N 466.634 1.932 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1689980880 YVLAPAKSHLMKMX-VQTJNVASSA-N 478.640 1.881 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCNC(=O)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1689990821 SEMQUKFQJHCKGM-FXAWDEMLSA-N 489.573 1.716 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CC[C@H](CO)O1 1690003030 AYDVGJKEIGDRGP-ZWKOTPCHSA-N 456.572 1.159 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC 1690017506 FXCHDUQVVQTYIS-KRWDZBQOSA-N 464.592 1.015 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)N1CCCC1 1690019922 UYRNNYYAKQOGDM-DHIUTWEWSA-N 496.637 1.521 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCOC1=O 1690020163 ZZJCSRMHQUTDOM-GOSISDBHSA-N 472.546 1.502 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690047200 MINURZTUIUCZIA-NJYVYQBISA-N 459.616 1.839 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C(C)C)N1CCOCC1 1690100821 DIURAPRLUOJUPO-QFIPXVFZSA-N 493.612 1.635 30 10 JDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1690106262 PCFAOXILCAGOJI-QGZVFWFLSA-N 453.543 1.867 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)cc2C)CC1 1690124368 KBRQZCRSTYFVTL-OAQYLSRUSA-N 472.615 1.031 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(OCC)c2)CC1 1690124708 RNENFAJCAVLSRJ-LJQANCHMSA-N 473.599 1.391 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCS(=O)(=O)CC=C)CC1 1690148690 PSJYGVRQQYQULK-UHFFFAOYSA-N 491.564 1.714 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1690175366 VMJSXCQULUDRFE-SVFBPWRDSA-N 495.715 1.872 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)OC)CC1 1690236408 MIVJHNOVBPXLIJ-PVAVHDDUSA-N 455.581 1.259 30 10 JDEE C=CC[C@H](Cn1c(C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)c1ccccc1 1690441973 JXBODSIIYRCZQV-LJQANCHMSA-N 450.547 1.413 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CN2CCCC2)cc1 1690528221 YGJBWDIJKFNKAB-OAQYLSRUSA-N 474.631 1.877 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1cccs1 1690596854 CADSPRMVQFKYGX-JXFKEZNVSA-N 467.617 1.759 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690672807 DRGVUCCOXXCCCN-DEOSSOPVSA-N 465.558 1.294 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1690676162 RNZGVIYZSGPQDK-RHSMWYFYSA-N 489.374 1.637 30 10 JDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)cc1 1690678892 DJZFWRXDKOKFNU-UHFFFAOYSA-N 464.574 1.502 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1690717914 VCNHWPIRSVJQSS-UHFFFAOYSA-N 464.555 1.534 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CCCCO1 1692793378 GQVBWYSWQHFXRD-IEBWSBKVSA-N 473.603 1.656 30 10 JDEE Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)c(=O)n1C 1693088519 HTRSIFXJEOUXPS-UHFFFAOYSA-N 481.582 1.390 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C4CC4)n3CCN(C)CC(F)(F)F)CC2)c1C#N 1693405850 GDWJRDWPLXWXFV-UHFFFAOYSA-N 451.501 1.890 30 10 JDEE CCO[C@]1(c2nnc(N3CCO[C@@H](c4cccc(C#N)c4)C3)n2CCCS(C)(=O)=O)CCOC1 1696083029 AVCLRKXLBWONFT-NFBKMPQASA-N 489.598 1.814 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCS(=O)(=O)C1 1705478456 BRCFBCJIQUKPCA-ZBFHGGJFSA-N 464.617 1.439 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1705479864 PGNPQCSVWOFVPT-HXOBKFHXSA-N 458.563 1.643 30 10 JDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1705538602 UTRCGMFKUAUEHK-FQEVSTJZSA-N 455.607 1.337 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705558733 GTGPYPPSGSPWLS-QZTJIDSGSA-N 464.636 1.163 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1705562309 ZRQONXJEMSYEIC-RBUKOAKNSA-N 493.655 1.375 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1705565752 VXAQRQSYQFEFRB-UTKZUKDTSA-N 459.597 1.880 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](SC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705567539 YNNCPUGEUDUXIU-PMPSAXMXSA-N 453.634 1.634 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](COC)OC)CC1 1705652561 DSAJRKPZNISYNP-XUVXKRRUSA-N 461.607 1.824 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Oc2ccccn2)C1 1705737201 LRWGBAKXKXRFMB-RBUKOAKNSA-N 492.602 1.256 30 10 JDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1S(=O)(=O)N(C)C)C1CC1 1705848267 PNROXRJPRKQBBV-UHFFFAOYSA-N 458.588 1.968 30 10 JDEE C=CCNC(=O)Cn1c(N(C)[C@@H]2CCCN(c3cccnn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705908281 MNKDPHOBILFNAQ-NTKDMRAZSA-N 484.605 1.516 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1cccc(C(F)(F)F)n1 1706889630 HQCSOEJJUHNNOF-STQMWFEESA-N 489.480 1.110 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1711419490 FKUXSEDYEUFVCR-OAHLLOKOSA-N 485.549 1.010 30 10 JDEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1=O 1712468457 DKVZOLKMUPQNSJ-SBUREZEXSA-N 451.531 1.013 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1722333904 ZWHHMOHIGYDEAI-LJQANCHMSA-N 455.584 1.992 30 10 JDEE C#CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC)[C@@H]1CCS(=O)(=O)C1 1722368846 WQQHHHXCNUOZHU-SJORKVTESA-N 467.592 1.623 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1722368971 UTXAXMSJDKLSEY-HOTGVXAUSA-N 450.590 1.549 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](C)Oc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1722372415 WEPNRSJPCDIVRK-UXHICEINSA-N 485.610 1.803 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1722380570 QDURQMTWDYCAHM-OAQYLSRUSA-N 486.580 1.609 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1722384837 YFNADBRQUPFBIF-MOPGFXCFSA-N 475.615 1.900 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C)N2CCOCC2)CC1 1722440375 IIYRESHKNIHCLE-JOCHJYFZSA-N 452.603 1.950 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1722602651 AQEJMOXFUQHCBX-UYAOXDASSA-N 477.635 1.770 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722693678 WZSGPOQWTGIGAW-UHFFFAOYSA-N 464.574 1.702 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1722698806 MQCKKDNMNSZYBF-ZWKOTPCHSA-N 488.614 1.206 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722729621 RBTIQIAFTOGWDP-IBGZPJMESA-N 463.579 1.913 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1722730342 PHIHUEVOGNWUND-NHCUHLMSSA-N 487.626 1.920 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)OC)CC1 1722730426 REPFDZFRIMJTIM-UHFFFAOYSA-N 472.571 1.770 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(C)on2)CC1 1722739459 VTDPRQGPHOELNV-KRWDZBQOSA-N 466.633 1.718 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H](C)N(C)C 1723951311 AVVSNHRPNFEBJR-IRXDYDNUSA-N 460.608 1.037 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCN2CCOC[C@@H]2C)c1 1740564479 OJVDPYATDODYGH-PZJWPPBQSA-N 466.586 1.949 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1740619031 FJNRRWULLNLPAL-PKOBYXMFSA-N 490.582 1.395 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1740626830 NJTGRSUWALYJOG-AABGKKOBSA-N 492.623 1.195 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740627160 YUDGZYFWCJXROF-JJCDCTGGSA-N 463.629 1.438 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1740629790 ZZLSOCWMZKLYRF-KSZLIROESA-N 456.634 1.770 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)cc1C 1740640787 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C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1748745955 ZKDZPQGEKPUVBV-UHFFFAOYSA-N 455.544 1.702 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1748805526 TVMKORGMRCGJLO-GWJPWWOOSA-N 491.589 1.251 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1748824297 NHKLSHBOFHOADV-ZVDOUQERSA-N 474.583 1.686 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(F)(F)C1(OC)CCOCC1 1748864226 TUYZBSIUVNVREJ-MRXNPFEDSA-N 473.546 1.182 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(CN(C)C)c2)CC1 1748989788 PBJHNMMQYIJOOQ-OAQYLSRUSA-N 456.616 1.045 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CSCCS2)CC1 1749004456 JGHDSNBDNSQDQB-WMZOPIPTSA-N 467.661 1.817 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1749193248 CFYPWMSBPDGJMI-LJQANCHMSA-N 491.574 1.422 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@@](C)=O)CCC1 1749575519 SIOOROSOHIOQRY-HYDGNGQDSA-N 457.622 1.091 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1749670820 WNOFUUJNIXFJBD-MJGOQNOKSA-N 492.577 1.046 30 10 JDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1749676706 AGOYURIZTNCMGT-GOSISDBHSA-N 456.572 1.597 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC(C)(C)OC[C@@H]1C 1749730466 FTXQCZMHSUHGJE-AWEZNQCLSA-N 451.549 1.610 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC(C)C)C1 1749735392 RTNQYZZVCZEWNH-QZTJIDSGSA-N 489.664 1.084 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCO[C@]2(CCOC2)C1 1749738366 KRYRGWDYHGROOA-JOCHJYFZSA-N 462.572 1.496 30 10 JDEE CC(=O)N1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)C1 1749816110 AAVWADXNVRTXTA-HXUWFJFHSA-N 499.641 1.935 30 10 JDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C[C@]2(CCCOC2)O1 1752311742 FMNBVRCHYSQEPC-QRQCRPRQSA-N 460.485 1.972 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1760185128 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C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1760510250 NVWMCIJTFMAEOD-OAQYLSRUSA-N 474.631 1.898 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1760549061 VNBWKJUHHQWVSC-UHFFFAOYSA-N 465.580 1.059 30 10 JDEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 1761873607 GHFWZQSMBJNZQK-QZTJIDSGSA-N 476.628 1.889 30 10 JDEE CCS(=O)(=O)NCCn1c(Cc2cccnc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1766729507 HBECBEHEAJNVBL-UHFFFAOYSA-N 494.625 1.397 30 10 JDEE CCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)cn1 1766954049 DRMCBAAGIHFZHE-UHFFFAOYSA-N 468.587 1.942 30 10 JDEE CS(=O)(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 1770362075 HNDUIMSHUSMAKY-HXUWFJFHSA-N 473.603 1.657 30 10 JDEE Cn1cc(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)c(C(=O)ON2C(=O)c3ccccc3C2=O)n1 1772794057 YWQPMVBAUQIKKZ-HNNXBMFYSA-N 469.498 1.887 30 10 JDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 1858974577 RIXUPQSYLQKLOP-UHFFFAOYSA-N 484.534 1.206 30 10 JDEE C=CCn1cc(OCCN2C(=O)c3ccccc3C2=O)c(=O)cc1CSc1nnnn1C 1870241192 PRWZZYFDEMMLHB-UHFFFAOYSA-N 452.496 1.525 30 10 JDEE C=CCN(CC=C)Cc1cc(=O)c(OCCN2C(=O)c3ccccc3C2=O)cn1CCOCCO 1870377658 PWYIMEYZKOQWTJ-UHFFFAOYSA-N 481.549 1.706 30 10 JDEE CCCCCCCCCCN=c1[nH]c(=NCCN2CCOCC2)[nH]c(=NCCN2CCOCC2)[nH]1 1871463561 QFHZRVHBECTSFF-UHFFFAOYSA-N 492.713 1.178 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)N2C[C@@H](C)O[C@H](C)C2)nc1C 1872679114 YSJOCGKHMGOOGF-GHMZBOCLSA-N 465.488 1.444 30 10 JDEE COC(=O)Nc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1890692270 VVLIKPXOBKVXQR-UHFFFAOYSA-N 464.588 1.285 30 10 JDEE N#Cc1nccnc1OCC1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)CC1 1891987054 UUEGUQRCFCKHAC-LJQANCHMSA-N 473.530 1.958 30 10 JDEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)C1 1892068620 LXMNBHKVRIWMSC-AWEZNQCLSA-N 480.344 1.459 30 10 JDEE CN(C(=O)OCc1ccccc1)C1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2247915467 CNAVSYLSBLOEGH-UHFFFAOYSA-N 454.336 1.812 30 10 JDEE 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C[C@@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C1(O)CN(C(=O)OC(C)(C)C)C1 2282036785 NKNSUZRONRMCNL-CYBMUJFWSA-N 465.331 1.620 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1 2282191551 OQAOEWVLGMZCLD-YXJHDRRASA-N 463.384 1.718 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282330165 VXSLHKFXQYGGCA-GJZGRUSLSA-N 484.428 1.643 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CN(Cc2ccccc2)CC1(C)C 2282336000 XCYODPUHCAJKHJ-LJQANCHMSA-N 474.436 1.908 30 10 JDEE C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282343786 RMULHRFZRIUUQA-HKUYNNGSSA-N 474.436 1.908 30 10 JDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C 2282598177 KQWQREGXRCRZDY-HUUCEWRRSA-N 464.372 1.392 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 2282679914 GVPUGCIYTQPPBC-AWEZNQCLSA-N 461.372 1.443 30 10 JDEE 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256034168 WPNBKPVALQBBJH-INWMFGNUSA-N 467.482 1.900 30 10 JDEE CC(=O)OCC1=C[C@@H]2[C@@H]3C(C)(C)[C@]3(OC(C)=O)[C@H](OC(C)=O)[C@H](C)[C@]2(O)[C@@H]2C=C(C)C(=O)[C@]2(O)C1 306146628 LASMKIAVFGUYEG-WNTBYFNOSA-N 490.549 1.643 30 10 JDEE CC1(C)OB(c2ccc3c(c2)CCN3S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)OC1(C)C 712220497 QPEPVFYLEOEIRT-UHFFFAOYSA-N 482.367 1.974 30 10 JDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccn2)c1 728581026 FQYCEMVJEIGEDQ-HNNXBMFYSA-N 463.537 1.154 30 10 JDEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCCc1nnnn1-c1ccccc1 919013745 IQVSVSFKVDKYCL-XMMPIXPASA-N 458.478 1.913 30 10 JDEE CCOc1cc(C=NNc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)ccc1O 1084111451 MQRHJITZXVBUFS-UHFFFAOYSA-N 491.555 1.733 30 10 JDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Oc3c(C)nn(CCC#N)c3C)cc2)CC1 1134899477 NSQKRRUJKAHEFH-UHFFFAOYSA-N 459.528 1.486 30 10 JDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O 1211187105 QQNLFXOGLRLPDS-UHFFFAOYSA-N 451.364 1.237 30 10 JDEE Cc1nsc(N2CCN(C(=O)NC3CCN(S(=O)(=O)CC(C)C)CC3)CC2)c1C#N 1225051061 DOTIUKGCKOIRSN-UHFFFAOYSA-N 454.622 1.605 30 10 JDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1253778868 FGSATNDQVKRGSD-INIZCTEOSA-N 458.378 1.893 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(c3ccccc3F)C2)CC1 1286473252 ZFPYDGIGFSJXOK-RTBURBONSA-N 489.621 1.309 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)CCC)CC1 1286488666 QEALPJWNSDMZBY-ZEQRLZLVSA-N 461.607 1.836 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)OC)CC1 1286492076 GCHNBFAYQCKVFC-UHFFFAOYSA-N 458.588 1.660 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1ccc(OCCO)c(OC)c1 1286528282 VBHUNPBMACQPKI-XMMPIXPASA-N 453.543 1.821 30 10 JDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC(NS(C)(=O)=O)CC1 1286535938 MHBYEFKZHBFMMY-ZDUSSCGKSA-N 466.402 1.429 30 10 JDEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286609340 IWJMBCSNXOCHRJ-SFHVURJKSA-N 458.950 1.262 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(CC(F)(F)F)CC1 1286781583 UVFYFMKYYLSHOR-UHFFFAOYSA-N 459.517 1.573 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1286784028 UNRVZLRYDKIORK-QGZVFWFLSA-N 470.530 1.684 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2ccccc2OC)CC1 1286788123 QLOMXVKKNRAXKZ-FQEVSTJZSA-N 454.575 1.805 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1286793132 SWMFNEPMJKWHRR-HOYKHHGWSA-N 492.621 1.926 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1286804365 MVKBDNALZOPULJ-OPYAIIAOSA-N 454.593 1.536 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(C)c2)C1 1286811139 ZYJGXTJERCJDLE-WOJBJXKFSA-N 461.588 1.749 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1286843804 HELJPBBRYZFTDP-DEOSSOPVSA-N 467.574 1.242 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN(C)C(=O)OC(C)(C)C 1288825450 FGAZHJWLKAXNBG-KUHUBIRLSA-N 473.575 1.587 30 10 JDEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)N1CCOCC1 1288945048 HVAPULLWSOOELM-YJBOKZPZSA-N 460.922 1.659 30 10 JDEE CC1(C)CCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1289004737 BHQGHRMZEDVPKL-QFIPXVFZSA-N 458.588 1.840 30 10 JDEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCCS(N)(=O)=O)c1 1291584533 CEJURRXUNNGAON-UHFFFAOYSA-N 457.961 1.740 30 10 JDEE CCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1296896674 DDUKYMJOCXJBHD-UHFFFAOYSA-N 461.526 1.954 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCc2nccnc2C)c1 1300336286 BXKKGMRGWKISRK-UHFFFAOYSA-N 472.553 1.798 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCOc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1300490683 BKWSAQMRLKUZFY-WMZOPIPTSA-N 461.519 1.074 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300501385 LFCRPLFPZCXJOA-LJQANCHMSA-N 458.588 1.053 30 10 JDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1ccccc1F 1300559267 MYXFHQGTIBEQBF-DEOSSOPVSA-N 453.518 1.962 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cccc(CN3CCOCC3)c2)CC1 1300726839 RUAOVUGZIMHUTB-UHFFFAOYSA-N 450.587 1.687 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@]2(C)CN(C)C2=O)CC1 1300731308 NPQFPLVDWKCAON-SANMLTNESA-N 494.596 1.700 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccccc1 1300806080 PFAXOJYXQYSVAY-SXWKCWPCSA-N 473.599 1.991 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1c[nH]nc1C 1300915305 MRPCJVZZLWYMSO-SFHVURJKSA-N 451.597 1.678 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1300990671 MPJCEIUNSQLATG-NRFANRHFSA-N 494.706 1.768 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1301514211 GLWWGJXTHNJBRB-UHFFFAOYSA-N 490.630 1.636 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@H](Cn3cc(C)cn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1301520643 KOHGSZZEEOBREX-CVDCTZTESA-N 473.578 1.031 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1301589774 WVLYTRMVMMJVHT-IRXDYDNUSA-N 453.609 1.514 30 10 JDEE CC(=O)N1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)C1 1301676803 AMUXTMAYGFMBIR-HXUWFJFHSA-N 479.589 1.268 30 10 JDEE CC#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1306870518 KSPCZJCMPFAVJL-NSHDSACASA-N 450.298 1.046 30 10 JDEE COc1ccc2c(c1)CCC[C@@H]2Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1315541507 HVECKJYZDJZOGI-SZVBFZGTSA-N 474.587 1.746 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCCC)c(OC)c1 1358890922 XINOZZHCBOSRKH-DYESRHJHSA-N 491.614 1.915 30 10 JDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1358904180 XZTGZDAEXFRUAH-NRFANRHFSA-N 463.586 1.666 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1358957892 CFQAVBSLBJPNOU-FQEVSTJZSA-N 468.583 1.606 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1358967577 NMLPVKPAYRQBBJ-RBUKOAKNSA-N 490.582 1.298 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)nc1 1358979194 GAQBTUZSGLAUGG-LJQANCHMSA-N 479.541 1.202 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1359030472 WPZKMIDTQXIEBQ-ZEQKJWHPSA-N 487.693 1.348 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1359046033 BIWLIMAQKCBOMX-NRFANRHFSA-N 492.624 1.638 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359090107 UXZQYHWBVCGMLG-RBSFLKMASA-N 481.395 1.252 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2cnccn2)CC1 1359294501 VMEDCYGSQFGKCS-UHFFFAOYSA-N 464.530 1.381 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2c(F)cccc2F)C1 1359321652 JTIPLJBTAKQCSP-OXQOHEQNSA-N 497.568 1.913 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1360298555 ASFZZFCMHYKVBI-OAQYLSRUSA-N 499.641 1.431 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3OCCOC)CC2)cc1 1445489357 CZJZEXIUMFZKCX-UHFFFAOYSA-N 457.552 1.586 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC2CCS(=O)(=O)CC2)c1 1507551823 HKXSZSQDYMAPHT-UHFFFAOYSA-N 459.572 1.696 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCCN(C(C)=O)C2)c1 1507551993 JEOWPIVMODDIKV-NRFANRHFSA-N 491.596 1.715 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CC[S@](=O)CC)c1 1507552847 UMZUMDSMLPFCQX-MGBGTMOVSA-N 467.599 1.965 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507625926 LQDFDTZZUOZUEN-ZNOYZCKDSA-N 480.631 1.761 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1507643822 ZLFHTJXUMIGAHM-SJORKVTESA-N 464.592 1.361 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCCOC 1507654370 ZWVPTKROZBDTSA-FQEVSTJZSA-N 456.568 1.635 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCN(CC(F)(F)F)CC2)CC1 1507733557 CNFGWOWNHLVBHJ-UHFFFAOYSA-N 497.566 1.656 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)n1 1507812251 KULQEHROLRYRGD-QGZVFWFLSA-N 463.608 1.571 30 10 JDEE C=CCCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 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C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1749050013 VFKHPXDWPPOOPU-UYAOXDASSA-N 462.664 1.773 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](COC)C1 1749229641 NFEZKFUSEMYUFI-RTBURBONSA-N 471.624 1.457 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1749677579 DRHJTPDVOGTHAJ-QGZVFWFLSA-N 468.587 1.918 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1749730844 SPUFHRJHDWTVIC-UHFFFAOYSA-N 475.663 1.869 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1749735719 VFIOIXCTGIEYHS-UONOGXRCSA-N 470.539 1.560 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)C1 1749803134 CSWRJBCGVXBRKD-JOCHJYFZSA-N 495.628 1.880 30 10 JDEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1750584096 FAYNTYBEEGXCNE-WMZHIEFXSA-N 490.630 1.901 30 10 JDEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1750584424 HWMKFXMOASFROZ-JOCHJYFZSA-N 476.603 1.607 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1760187894 LQTPPSHPYMKZTD-ZWKOTPCHSA-N 453.634 1.195 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1760190164 SPHCWWHLXUJIML-KRWDZBQOSA-N 455.540 1.965 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1 1760219449 FLIDNTCQZGDYIZ-PZJWPPBQSA-N 471.583 1.541 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2nccc(C(F)(F)F)n2)CC1 1760252636 SNBOIWBGESNLMI-UHFFFAOYSA-N 462.480 1.321 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCN2CCOCC2)CC1 1760264800 GCVLJYFETRKDNA-UHFFFAOYSA-N 494.600 1.004 30 10 JDEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C 1760357700 LZIRHZRTIKFMJD-ROUUACIJSA-N 478.594 1.846 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](N3CCCC3=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1760558365 NASGBFJVEAQVTD-XXBNENTESA-N 495.646 1.511 30 10 JDEE C[C@@H]1OCC[C@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCS(=O)(=O)N(C)C)CCO2 1763278840 GZVZYSAKSVPXSY-KKSFZXQISA-N 460.560 1.092 30 10 JDEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1763763142 HGVHSNPGNDGCSR-QFBILLFUSA-N 458.588 1.992 30 10 JDEE CC[C@@H](C)N(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1763885211 AOIPGFNRVYKKJR-QZTJIDSGSA-N 489.650 1.212 30 10 JDEE CCC(CC)(Cn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1764038371 AWKBVFKUTCGXFJ-UHFFFAOYSA-N 483.621 1.846 30 10 JDEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)C1 1767673332 FWSGNGVFCIDEST-SFHVURJKSA-N 467.574 1.996 30 10 JDEE COc1cc(Cl)ccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1768327373 GICPWGOLTSPHKI-OALUTQOASA-N 469.926 1.599 30 10 JDEE C[C@H]1CN(Cc2cc(=O)c(OCC(=O)Nc3sc4c(c3C#N)CCC4)cn2CCO)C[C@H](C)O1 1870324411 JPJASTIEBCMXOU-HOTGVXAUSA-N 486.594 1.889 30 10 JDEE CCN1CCN(Cc2cc(=O)c(OCC(=O)Nc3sc4c(c3C#N)CCC4)cn2C[C@@H](C)O)CC1 1870324492 MSKZWNIIPOCARW-QGZVFWFLSA-N 499.637 1.806 30 10 JDEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)nn1 2180970191 KEMMNFFOEXOLTH-AWEZNQCLSA-N 459.316 1.109 30 10 JDEE Cn1cc(C(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2255653844 OTCNAWRHDWNBFO-NEWSRXKRSA-N 466.347 1.859 30 10 JDEE CC(C)(C)OC(=O)NCCOCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255752937 NYQXFYDAQPBMDJ-UHFFFAOYSA-N 476.426 1.867 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1 2255933233 LTHLNHOWYBDFBM-BETUJISGSA-N 456.374 1.053 30 10 JDEE CON(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267171935 QQFIZGGTCHAVIH-CQSZACIVSA-N 450.345 1.732 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H](F)C1 2267174900 IEFUHYLYBNXQMP-GJZGRUSLSA-N 450.320 1.853 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCOCCCNC(=O)OC(C)(C)C 2267273649 PQIWWBOJJBRXCB-UHFFFAOYSA-N 451.373 1.986 30 10 JDEE Cn1nc(C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267500152 DREVNJZJYZWKQA-QGZVFWFLSA-N 464.681 1.656 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@](F)(CNC(=O)OC(C)(C)C)C2)n1 2267550257 XBXDEQBMAXIYBL-NJDVURJYSA-N 453.324 1.240 30 10 JDEE CN(CC1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267703967 FXOQPCAPDNSMEP-UHFFFAOYSA-N 467.397 1.868 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](O)(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2267723533 VOEDDHMUCAEYGX-FQEVSTJZSA-N 488.437 1.698 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268698501 AYMVFDTYKQYWFN-ODXCJYRJSA-N 468.385 1.660 30 10 JDEE C[C@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CCNC(=O)OC(C)(C)C 2281954753 CJHWPCCGVIDVTB-GJZGRUSLSA-N 463.388 1.737 30 10 JDEE Cc1cc(C(=O)N2CCN(C)C[C@H]2CNC(=O)C(F)(F)F)sc1B1OC(C)(C)C(C)(C)O1 2282124841 OEISVNPBZWCCEQ-CYBMUJFWSA-N 475.342 1.790 30 10 JDEE CC1(C)OB(c2cncc(S(=O)(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)c2)OC1(C)C 2282354518 RIBDNICBHLNXMF-FQEVSTJZSA-N 473.404 1.560 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N(CCNC(=O)OC(C)(C)C)CC(F)F)n1 2282497039 KXEHEMYJFRYLCM-UHFFFAOYSA-N 494.370 1.500 30 10 JDEE Cn1cc(C(=O)NC[C@@H]2[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282547093 PGLOXTGLTVQRMB-ARFHVFGLSA-N 460.384 1.952 30 10 JDEE CCO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2282585105 YUKLIIBCVDAFHL-HOTGVXAUSA-N 464.372 1.853 30 10 JDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282590251 YRBSIOTUKOBNKA-CABCVRRESA-N 464.372 1.392 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCOC[C@@H]1OCc1ccccc1 2282851719 GEDHMBOZZKVNPQ-MSOLQXFVSA-N 477.392 1.372 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C 2282855489 FOARWMJPDMQQPI-OAHLLOKOSA-N 484.428 1.787 30 10 JDEE CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283072906 VPDBJKAUEIMFFR-XMMPIXPASA-N 452.364 1.485 30 10 JDEE C[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)N1CCN(C(=O)OC(C)(C)C)CC1=O 2284068571 FXFMSYBQCHDALO-ZDUSSCGKSA-N 480.396 1.849 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](C(=O)O)[C@H](C)OCc1ccccc1 2284429786 KERPLFAAKAMAIM-YJBOKZPZSA-N 457.336 1.991 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2288539786 NKUJJHYTRKHYBU-UHFFFAOYSA-N 489.350 1.789 30 10 JDEE COc1cccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)c1O 2325917965 IYVDZFKJEAYRAL-KRWDZBQOSA-N 480.550 1.968 30 10 JDEE CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1cccc(B2OC(C)(C)C(C)(C)O2)n1 2369302916 HZHJUYOHAMAWLE-INIZCTEOSA-N 460.384 1.943 30 10 JDEE CC(=O)OCC(=O)[C@]1(O)[C@H](O)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](OC(C)=O)C[C@]21C 504691927 MCXFEPIGNNTCAA-DUEAVBQOSA-N 460.523 1.670 30 10 JDEE C#C[C@]1(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)C=C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC 575231492 HRFIGUNIDWUIBL-CEEQTPEWSA-N 486.561 1.575 30 10 JDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c(=O)n1CCOCC 725764420 ULNWHRCECPHXRB-UHFFFAOYSA-N 464.931 1.537 30 10 JDEE C#CCN(C(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 729330631 BWCNBVFBBIDEFZ-OAHLLOKOSA-N 466.503 1.413 30 10 JDEE C#CCN(C(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)[C@@H]1CCS(=O)(=O)C1 729331486 PSQIKZSCTOWEEQ-GOSISDBHSA-N 450.513 1.889 30 10 JDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 729884018 FVIFGJCIZIDMFJ-LGUFXXKBSA-N 457.487 1.765 30 10 JDEE COc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)cc1OC 1084133104 BNSDNQDWENAPLE-UHFFFAOYSA-N 474.547 1.804 30 10 JDEE COc1cccc(C(C)=NNc2nc(SCC(=O)Nc3nnc(SCC(N)=O)s3)n[nH]2)c1 1084282539 SLDJVZVBVSCNEX-UHFFFAOYSA-N 493.600 1.809 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)N1CCOCC1 1286417031 USPVUDIFTARSRQ-SFHVURJKSA-N 456.547 1.282 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cn2cccn2)cc1 1286448465 VIKQPFVVRWFOLS-NRFANRHFSA-N 483.598 1.364 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1286467702 TWJPQPZBZFRMRE-GUDVDZBRSA-N 495.646 1.912 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ccc(C(N)=O)nc2)CC1 1286469994 PWJHHMSHWRSTIR-UHFFFAOYSA-N 472.553 1.445 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](COC(C)C)C1 1286546230 HQSFEPZHBAONBW-RDGPPVDQSA-N 471.624 1.500 30 10 JDEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286605764 VQKQVMBYLDKZOR-UHFFFAOYSA-N 468.602 1.827 30 10 JDEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCNC(=O)C(C)C)C[C@@H]2C)CC1 1286887248 PSFZKPQUCRTQGU-CVDCTZTESA-N 492.628 1.578 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@H]2C)CC1 1296288047 FTEJCQFYQXRPPU-LJQANCHMSA-N 450.591 1.559 30 10 JDEE CN(C)S(=O)(=O)c1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](C#N)C1 1298096469 APDNPDSJEWAJNS-QZTJIDSGSA-N 460.560 1.547 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-c1cnn(C)c1 1300311838 WDWZIUNOMGSVDQ-UWJYYQICSA-N 483.598 1.518 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1300364476 KOLZEKZLJKHWDC-AZUAARDMSA-N 497.687 1.815 30 10 JDEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1300394457 QIZOTCQQIDWDRD-UHFFFAOYSA-N 484.362 1.456 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1300482369 FHQJCXVISZOXDW-SFHVURJKSA-N 454.556 1.998 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1300500688 CCBVABLHPNOQBU-FXAWDEMLSA-N 450.586 1.363 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1300502092 QVOOSKDFTMILAX-FGTMMUONSA-N 450.586 1.097 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)NC)c1 1300578949 QSCOSRJSRAERTN-FQEVSTJZSA-N 453.568 1.245 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOC(C)(C)C1 1300664071 OAXOESRPQCRYRZ-UHFFFAOYSA-N 465.558 1.791 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(=O)NC2CCCCC2)CC1 1300685530 PYUNQBSIMYLPKS-DEOSSOPVSA-N 458.607 1.523 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(F)(F)c2ccccc2)CC1 1300723399 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C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1286628804 KQCHXRCJEYHEFR-DLBZAZTESA-N 460.000 1.555 30 10 JDEE C=CCN(CCc1ccco1)c1nnc(Cc2ccncc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286766666 VEGQFHIAAJIZDO-QFIPXVFZSA-N 457.556 1.642 30 10 JDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1286776932 MCCUOZCSVWYYGM-FUHWJXTLSA-N 457.604 1.444 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)CC(=O)N1CCOCC1 1286781376 XLHYBRXZTDCUCW-LJQANCHMSA-N 470.574 1.632 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)N2CCSCC2)C1 1286810918 XTHNLYQTBCNTCX-ROUUACIJSA-N 471.649 1.332 30 10 JDEE CC(C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1287101775 GTOCVHHOIZTJMS-MRXNPFEDSA-N 479.006 1.803 30 10 JDEE CC(C)NC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1288227737 FPCKGZOKMKKSBA-MRXNPFEDSA-N 471.587 1.578 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nnc(C)s2)C1 1296329184 HSFGQVNJVYDLPM-QGZVFWFLSA-N 472.600 1.737 30 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1.988 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(F)cc(F)c1 1301967367 CDZYZFIHNNSHMT-KSSFIOAISA-N 468.530 1.728 30 10 JDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 1309997576 OQKPGKUXJAKALO-SFHVURJKSA-N 453.586 1.906 30 10 JDEE Cn1cccc1-c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCS(C)(=O)=O 1314917088 FOYZCENEFHIETG-UHFFFAOYSA-N 457.535 1.666 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1358956515 GWRYEXACWGMEDG-KKSFZXQISA-N 479.628 1.624 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC12CCC(CC1)C2)[C@H]1CCS(=O)(=O)C1 1358957176 QPEHXQHVWHFZRH-HMFCVHIJSA-N 469.633 1.095 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1358961673 CYDZUWQWJBJJIO-CQSZACIVSA-N 451.574 1.386 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)CCOC 1359010627 VGJGBKRUPBOOMN-SFHVURJKSA-N 450.584 1.624 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1359028205 KPLMEYIXWZVWNC-PMACEKPBSA-N 473.666 1.840 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cnc(C)s2)CC1 1359040318 PBYVJHVHNAIIGA-UHFFFAOYSA-N 457.604 1.976 30 10 JDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1359051022 JWGHGMWHIMJLHT-QGZVFWFLSA-N 466.571 1.852 30 10 JDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1359226787 MMZMVZQKILWJMF-IBGZPJMESA-N 455.563 1.585 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCS(=O)(=O)C1 1359275459 UWBXOYAQZZPXKQ-UXHICEINSA-N 478.640 1.850 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(F)cc2)CC1 1359287761 UKUYATLMOFFOCF-SFHVURJKSA-N 450.540 1.263 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1359327902 NORRDQYQTVIBLI-KSFYIVLOSA-N 477.562 1.874 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1359328090 STWZSQKOCSRJJI-OAQYLSRUSA-N 488.658 1.771 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1359334479 HMUKKVDRDOCRMQ-QFIPXVFZSA-N 477.562 1.238 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2nnc(CC)s2)cc1 1449104901 HOZKHCJAIVGRMS-CHWSQXEVSA-N 451.574 1.958 30 10 JDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@H]1C 1502330667 AITCNFQXDSHOGU-GOSISDBHSA-N 453.547 1.118 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)c1nccs1 1507589747 ZSQLIRKJTZPESR-HZPDHXFCSA-N 452.606 1.721 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1507617561 VYUYUIWUJGZKOA-BBWFWOEESA-N 451.593 1.895 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1507624824 DZDPFTIIEWBXTN-GHTZIAJQSA-N 463.991 1.292 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507637505 BHKPVFVLWMEKEI-RTBURBONSA-N 490.655 1.392 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1507690205 QTLXMCYYDRFVFH-SFTDATJTSA-N 457.600 1.541 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@](C)(O)c2ccco2)CC1 1507718330 OUDYYBLRMFLZTJ-HSZRJFAPSA-N 469.567 1.605 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1507721917 NDLQAPQMRRUUKZ-FXAWDEMLSA-N 477.610 1.086 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(OC)c2OC)CC1 1507737590 CKVMJNUJJJUVSU-SFHVURJKSA-N 466.542 1.261 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1507774438 FMGMVSRGANCVTN-CABCVRRESA-N 471.400 1.692 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1507806252 SFTSRWYQBVKBIB-NSHGMRRFSA-N 453.609 1.453 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1508074906 UKBZXGFBEIXGKX-KRWDZBQOSA-N 483.598 1.453 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1508088556 BSFAHUKUWSIIDB-OTWHNJEPSA-N 454.556 1.226 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1508092303 AXKNQIFCSFXVDM-SFHVURJKSA-N 453.547 1.278 30 10 JDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1CCCN1CCCO 1516588340 AEGYJBFPYZFOBQ-HXUWFJFHSA-N 471.581 1.999 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCCN2CCOCC2)c1 1539046515 UVKRDLUOLUTNSI-UHFFFAOYSA-N 479.585 1.179 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1539200909 SHIUTUFVSRIJEG-UZLBHIALSA-N 451.618 1.427 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1539206470 PLYMBVYRHZXDSP-KXBFYZLASA-N 498.403 1.468 30 10 JDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1539206870 WIAHDTXQKAFHTM-UXHICEINSA-N 478.640 1.881 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1cc(C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1539215943 LRZRMUMBBPYVKM-HXUWFJFHSA-N 468.583 1.865 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1539226050 TYEYKHNENNGVDJ-LJQANCHMSA-N 475.640 1.864 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C2CC2)N(C)C)CC1 1539488134 IFRHHDFGDQDQKV-OAQYLSRUSA-N 452.607 1.446 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCC1 1539556452 CUCCFWYZDYMLQJ-GHTZIAJQSA-N 450.609 1.089 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1540874662 NVQCJKXPNIOTTH-GHTZIAJQSA-N 465.558 1.188 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1540902436 JEDPYJXFBGTKQI-MSOLQXFVSA-N 453.609 1.466 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1540907534 ZPONUBVSIXQTQS-GOSISDBHSA-N 474.587 1.289 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1541710159 DUIIFDOKGZYJOF-UHFFFAOYSA-N 499.576 1.400 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(N(C)C)CCSC1 1541910936 GCOSXSIXXOFUTG-KKSFZXQISA-N 477.660 1.834 30 10 JDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(N(CC)CC)nc2)CCOC1 1547918864 HSCLXAGIXAIZRU-XXBNENTESA-N 455.563 1.948 30 10 JDEE C#CC[C@H](CO)NC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@@H](C)CC 1556832740 HIPHZJVCFYJCQE-PMUMKWKESA-N 457.980 1.235 30 10 JDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1588030312 SJTSDPGFGKNAAU-PKOBYXMFSA-N 492.001 1.525 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1588041539 XOFPHVJUCZTWMQ-MRXNPFEDSA-N 458.569 1.789 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1588074831 SUMYRTPFIXFJMN-HVTWWXFQSA-N 466.604 1.444 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccco2)N(CC)CC)CC1 1588864568 GGIOWOKGYWQRSS-HXUWFJFHSA-N 453.591 1.832 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OC)nc2OC)CC1 1588930435 VZIDAFABNKYOSE-LJQANCHMSA-N 468.558 1.598 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)c2cccs2)CC1 1588961533 CUACPPUSDBIZNZ-UHFFFAOYSA-N 494.625 1.597 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nccn2C(F)F)CC1 1594241433 QHFGUWCTSFHOGY-OAHLLOKOSA-N 471.534 1.653 30 10 JDEE C=CCn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1595447265 YMSXCPVOHPARQV-UHFFFAOYSA-N 468.558 1.713 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1595466037 CQJGMTVIACBCCB-MRXNPFEDSA-N 473.965 1.126 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1595506993 SNLKIANABNRFBQ-XXBNENTESA-N 495.628 1.635 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](SCC)C1 1595551023 KOOSEHKVNJSKNM-SJORKVTESA-N 486.664 1.025 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CCOCC2)CC1 1595555978 LMVOXCTYZBUWCE-UHFFFAOYSA-N 460.529 1.750 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccco1)C(C)C 1595799416 ZZUBXJMPLNTTJX-INIZCTEOSA-N 456.590 1.789 30 10 JDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1596095819 GOQNNBAXVVLWID-QHCPKHFHSA-N 492.628 1.818 30 10 JDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNc2ncc(Cl)cc2Cl)CCO1 1620354693 BUZZXEUIHXZLKP-TZMCWYRMSA-N 486.385 1.723 30 10 JDEE COc1cc(C#N)ccc1OCC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1623396856 CXXMKYQLFROQMZ-LJQANCHMSA-N 455.486 1.919 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 1632770456 WYCYCAMNLRFKJA-SFHVURJKSA-N 458.565 1.938 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1CCN(C(=O)OC)CC1)[C@H]1CCS(=O)(=O)C1 1689989665 HTTONTBHWJAULO-RBUKOAKNSA-N 479.603 1.625 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCS(=O)(=O)C1 1690104496 YIRQFXSLZZGVGO-QZTJIDSGSA-N 497.618 1.107 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1690129409 WIIWFEAXHVKOBH-UHFFFAOYSA-N 460.529 1.850 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCN2CCc3ccccc3C2)CC1 1690153844 DFKBBASXMMSJDP-UHFFFAOYSA-N 450.587 1.839 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1690245892 OFKNGQNWRGJYON-MANSERQUSA-N 453.609 1.529 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1690313085 KYRWGKRXPXAIRS-HBMCJLEFSA-N 497.662 1.847 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)N(C)C2CC2)CC1 1690410995 CKGPTJLINLOPDX-LPHOPBHVSA-N 452.625 1.496 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2noc3c2CCCC3)C1 1690686309 LWWPPZHNXNAEBE-HUUCEWRRSA-N 450.565 1.585 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)C1CCCCC1 1692661467 DQCSGKIMEKVTST-FUHWJXTLSA-N 481.623 1.140 30 10 JDEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2CCCN2S(C)(=O)=O)CCOC1 1696063886 ADCAROMKCWRTNN-JRGCBEDISA-N 466.608 1.484 30 10 JDEE CS[C@@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1698340946 HCEPZGUEBMABPH-YJBOKZPZSA-N 464.617 1.871 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](OC)C(F)(F)F 1705494959 ITQOLTNZYISQKO-IHRRRGAJSA-N 453.487 1.036 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1705559729 AVTUBKWZROLYTD-FUHWJXTLSA-N 480.612 1.258 30 10 JDEE C#CCN(c1nnc([C@@H](C)CC)n1CC1CCN(C(=O)OC)CC1)[C@@H]1CCS(=O)(=O)C1 1705560453 KTPGWUBQVBGNRV-FUHWJXTLSA-N 451.593 1.897 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1705568210 JGRDRDOJBZZXCG-LJQANCHMSA-N 487.626 1.873 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H]1COCCO1 1705582906 MBGGBIZJWXTDER-RBUKOAKNSA-N 459.547 1.465 30 10 JDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(S(=O)(=O)NC)c1 1705603723 ZVOWWGRQMVGXNM-UHFFFAOYSA-N 453.528 1.341 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCC[C@@H]2C)CC1 1705646724 OLRTUXHHCUQQBM-IBGZPJMESA-N 498.653 1.799 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCOC)CC1 1705648322 QZQRYSFKYRTRRB-UHFFFAOYSA-N 466.590 1.454 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1705725503 FBZMRCLXYOYSAX-IBGZPJMESA-N 490.634 1.427 30 10 JDEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1705797189 RMJSQMHPVMXTDJ-HSALFYBXSA-N 473.599 1.491 30 10 JDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC[C@@H]1NC(=O)NC1=O 1705843750 MZPPDURKZYNQMP-GJZGRUSLSA-N 463.539 1.197 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1705904330 MMGFYUQNXLBXNM-BBWFWOEESA-N 486.664 1.024 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCCN(C(C)C)CC1 1705934514 OLNPLPRATDXVAV-UHFFFAOYSA-N 464.592 1.527 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)C[C@@H]1C 1705935887 FYXPKWQELBXXEZ-YJBOKZPZSA-N 461.544 1.058 30 10 JDEE CN(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)c1c(F)cccc1F 1710997607 BWUQORXACBDFSL-MAUKXSAKSA-N 459.501 1.710 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1722358350 APQJRWRLIHAFAI-CQSZACIVSA-N 463.926 1.541 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1722359401 SOAMBQAIULCKEZ-HXUWFJFHSA-N 455.584 1.692 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1722362992 PVNBWIVTNVUEKB-LEWJYISDSA-N 487.626 1.427 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1722364645 IUPMYKWABBAVGQ-DLBZAZTESA-N 480.537 1.579 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722365697 NOMSSSIDJWTESO-QPPBQGQZSA-N 465.579 1.798 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722370517 BYIAVDVVGNSJSK-NRFANRHFSA-N 484.626 1.554 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)c1ccccc1 1722397159 NZUHGARMVDCZPX-QFIPXVFZSA-N 484.626 1.600 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccc(OCC)c2)CC1 1722431400 JYQBCQCHFFCVKA-SFHVURJKSA-N 460.604 1.285 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCN2CCC)CC1 1722447811 QJDBWWGPHVVPSO-LEWJYISDSA-N 490.674 1.411 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCC(=O)N[C@@H](C)CC)CC1 1722449324 PRNAFJSLNFGIRB-SFHVURJKSA-N 451.575 1.535 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCCN2CCN(CC)CC2)CC1 1722559620 COHRXDNCWPXNIL-IBGZPJMESA-N 453.657 1.462 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722729473 LSVYMMUZYVMBTE-SFHVURJKSA-N 481.644 1.248 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1722740838 SVMYEOTTYGUUKI-SFHVURJKSA-N 494.618 1.798 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O 1729409183 CEURRDYMDJUQOL-RBUKOAKNSA-N 477.612 1.656 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1740616277 XOJWUQHAQYQOQE-DENIHFKCSA-N 498.653 1.490 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1740620636 GAVHNOOTZHYFIG-RBUKOAKNSA-N 459.620 1.426 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1740623009 MRXIDQSJYARFIA-HNNXBMFYSA-N 470.555 1.382 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1(N(C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740626469 LBNDZDHIXKDPMG-GOSISDBHSA-N 451.637 1.604 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(N)=O)c1 1740640739 VAUZLZJEPKHFOV-FQEVSTJZSA-N 478.553 1.807 30 10 JDEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1740663014 VNFMTIVVVXWYKC-XDOYNYLZSA-N 450.499 1.948 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNc2ccccn2)CC1 1740701136 VVBXVGGSCYNYTG-UHFFFAOYSA-N 464.574 1.377 30 10 JDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740711789 RPRGLYVVJJMEHE-UHFFFAOYSA-N 456.616 1.967 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1740717619 XHHPKTBACXJCLC-AZUAARDMSA-N 496.703 1.288 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1740719564 GZTAGXTZHKJBFB-UHFFFAOYSA-N 484.601 1.797 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCN(CC)CC1 1740731522 CVUXWXKEDNBDIY-NFBKMPQASA-N 478.663 1.725 30 10 JDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(NS(C)(=O)=O)CC1 1740743316 SMIBTZLDERYSRO-UHFFFAOYSA-N 487.380 1.432 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1740951411 YMYDRHJLWFLIFQ-LJQANCHMSA-N 458.485 1.346 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1740962128 TYMHJCVJXTXHHC-IRLDBZIGSA-N 494.644 1.383 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1740963797 XOJZJYDWGHPDJG-SFHVURJKSA-N 467.530 1.746 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCc2cn[nH]c2)C1 1740974712 OUVDIRKGQNLQKF-IBGZPJMESA-N 471.587 1.943 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1740988670 MLFSOTLCRUHNHY-INIZCTEOSA-N 458.993 1.823 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1740993258 VKMPCUXZEUKJAI-UHFFFAOYSA-N 473.578 1.669 30 10 JDEE C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@]1(O)CCS(=O)(=O)C1 1741973073 HMXKEFNTPLMFPI-SIFCLUCFSA-N 451.524 1.845 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@]2(C)CN(C)C2=O)c1 1748694621 KEPQVKKZXDNYSX-VWLOTQADSA-N 457.538 1.798 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1748820082 YSGGJRNNSNNZLN-PMACEKPBSA-N 494.614 1.602 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1748825198 WLRZCLRHOQTLCT-APWZRJJASA-N 489.573 1.538 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1748835524 FNPKDDRNSAQCEN-QHCPKHFHSA-N 472.567 1.365 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCN1S(C)(=O)=O 1748869272 ZYXVCXSDXBWGQA-MRXNPFEDSA-N 479.404 1.923 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1749018811 GALMNJHHPBLIMS-RTBURBONSA-N 480.560 1.451 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1749303865 RAFKONCMDKCLDM-GOSISDBHSA-N 462.572 1.765 30 10 JDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1749608394 ZXLDBWIINMAAOM-UHFFFAOYSA-N 488.662 1.723 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1749676010 ARRRSIIIJNBICJ-UHFFFAOYSA-N 469.565 1.055 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H](OC)C(F)(F)F)C1 1749713277 RDLFKARZHYYDQT-ZNMIVQPWSA-N 452.499 1.929 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCCN(CC(=O)N(CC)CC)CC2)nnc1C(C)(C)C 1749739552 GADFKLPBDSWSDF-UHFFFAOYSA-N 468.668 1.557 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@]3(CCO[C@H]3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1749740210 SGOMHXKDDOWFOS-BWAGFHJFSA-N 484.619 1.304 30 10 JDEE CC(C)CCN1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CC1 1750800980 BMNYHRZBXBXVPX-PMACEKPBSA-N 464.636 1.667 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1760188015 YWESKAOAEVUODM-RTBURBONSA-N 492.623 1.254 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760189439 UMCGUGSJIFOEAW-UFYCRDLUSA-N 488.589 1.298 30 10 JDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1760262706 XFWWOCUXPHCVDI-LJQANCHMSA-N 463.508 1.282 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)C(C)C)CC1 1760271225 QJEIBKNYXJCAIA-QHCPKHFHSA-N 472.615 1.642 30 10 JDEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760283383 LLFLJOQGBDQTRJ-UHFFFAOYSA-N 498.653 1.612 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC)[C@@H](C)C1 1760321801 KKIXRVSJCUNEIL-YRPNKDGESA-N 482.651 1.123 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)CCS(C)(=O)=O 1760335224 MLCMBEOQLJXTBD-KSSFIOAISA-N 451.549 1.468 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1760346057 FYXMQXUNLDHDDU-UGKGYDQZSA-N 461.588 1.939 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1760348732 JUOVVIHESBYSQX-PZJWPPBQSA-N 473.622 1.096 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(F)(F)C2(OC)CCOCC2)CC1 1760382775 XZLNABGMEKOVFZ-OAHLLOKOSA-N 463.551 1.876 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(C(N)=O)CCOCC1 1760499409 XQVKLOPIEIQEFM-LJQANCHMSA-N 452.559 1.746 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(OC)CCOC1 1760501079 GGXLENOZSGQJDI-UWJYYQICSA-N 450.561 1.814 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](OC)[C@H](OC)C1 1760517563 QHBMGEOYUNGFKZ-IYBDPMFKSA-N 468.327 1.999 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1760524295 USAVMSGTRBKHTD-LEWJYISDSA-N 454.575 1.678 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(C(=O)C(C)C)CC1 1760525694 NQNVEJZUIBXDRK-UHFFFAOYSA-N 464.574 1.514 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1760528925 QTWAJJOESMEAKW-ZWKOTPCHSA-N 457.510 1.971 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(O)cc2)C1 1760543272 OCHHSMWUNJAAPE-OALUTQOASA-N 463.560 1.146 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1760553884 KWDULQWZVYCEPZ-INIZCTEOSA-N 477.591 1.829 30 10 JDEE Cc1nccn1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1762362227 CCSVCAZHRGDTSN-HXUWFJFHSA-N 484.586 1.324 30 10 JDEE Cc1nn(C)c(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1762385743 FLHJWNBJYBKBJO-QGZVFWFLSA-N 497.629 1.485 30 10 JDEE CCN(C)C(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1766362552 HNBOKMJQTLDKAH-INIZCTEOSA-N 471.587 1.532 30 10 JDEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)CC1 1767733311 BYZCMMCOHAWWID-UHFFFAOYSA-N 451.575 1.892 30 10 JDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)c2)CC1 1767837765 FDMUSYKXZMXXTQ-UHFFFAOYSA-N 463.546 1.556 30 10 JDEE COCCN(CCC#N)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCN(C)C1 1771110077 FHOOVKUWKZGVDM-GOSISDBHSA-N 452.357 1.469 30 10 JDEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCNC=O)ccc1O 1862609331 KEIFCYNLDCGRMT-OAQYLSRUSA-N 468.462 1.886 30 10 JDEE C=CCN(CC=C)C(=O)[C@H](CCC)NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 1868595029 FIHHYYSZQZIVCL-NRFANRHFSA-N 462.616 1.722 30 10 JDEE NS(=O)(=O)c1ccc(CNC(=O)[C@H](N=C2NS(=O)(=O)c3ccccc32)c2ccccc2)cc1 1869933268 CAMJFIJWGISOEN-HXUWFJFHSA-N 484.559 1.430 30 10 JDEE C=CCOc1cn(CCN2C(=O)CSC2=O)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1870815887 GSKGALUFVSKJQY-UHFFFAOYSA-N 478.552 1.368 30 10 JDEE CC(C)N(CC#CCNC(=O)CN(C)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)C 1891616132 YKZKTNDUTDHFDG-UHFFFAOYSA-N 492.642 1.018 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@H]1C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2132678019 URKLAQGRCVQWCQ-YESZJQIVSA-N 452.357 1.508 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2180984044 STQMIXZPRGRMJX-PEBXRYMYSA-N 460.340 1.740 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](O)C1 2197486620 FCBOIXUXLQQUNC-GAJHUEQPSA-N 462.352 1.657 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2255809144 SVIVLQMHGIEBHF-KBPBESRZSA-N 453.370 1.542 30 10 JDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C 2267012979 CYLHKZDUWUTTCA-OAHLLOKOSA-N 450.341 1.610 30 10 JDEE Cc1nn(C)c(C(=O)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 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COC(=O)[C@@H](CS(=O)(=O)N(C)[C@@H](CC#N)C(F)(F)F)NC(=O)OCc1ccccc1 2286049706 WTJWKWPSPBBPJB-KGLIPLIRSA-N 451.423 1.561 30 10 JDEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccc([N+](=O)[O-])cc1 2330747674 HRLYKQQPYKKEBT-UHFFFAOYSA-N 460.501 1.892 30 10 JDEE C=C1CC[C@H]2[C@](C)(C(=O)O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CCC[C@]2(C)[C@@H]1CCC1=CCOC1=O 2333301737 WWMGXPVENJOYMP-LRNRUGICSA-N 494.581 1.372 30 10 JDEE CN(Cc1ccccc1)[C@@]1(CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCOC1 2362348647 SQGVPNUUZYDOHA-XMMPIXPASA-N 454.380 1.740 30 10 JDEE O=C(CSc1n[nH]c(NN=C2CCCC2)n1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 20836585 ZXADEVXTKDYZMS-UHFFFAOYSA-N 479.588 1.898 30 10 JDEE COc1ccc(OC[C@H](O)Cn2c(NN=Cc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 254866816 SMENKUBFMQGWFI-QGZVFWFLSA-N 478.509 1.328 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 509559797 RYLAMIHGEHPKIT-KRWDZBQOSA-N 450.561 1.596 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1C[C@@H]1CCCO1 619537678 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N#C[C@@H](c1cccc(Cl)c1)N1CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1 1193988115 FBCUSPJJVXATMA-NRFANRHFSA-N 455.946 1.703 30 10 JDEE C#CCCCn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286359758 IYPAWPMLNUCVLX-ZJPYXAASSA-N 461.563 1.822 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1286383844 ZZNCVBYENLDWFF-LJQANCHMSA-N 471.583 1.588 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCn1cnnn1 1286432881 BCHXCGFWUSHGRD-HDICACEKSA-N 453.551 1.589 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1286490211 NWRPCDWXOAXSAQ-LJQANCHMSA-N 477.544 1.722 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286511308 IMCKKTWTETYPJQ-UHFFFAOYSA-N 487.611 1.157 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCS(=O)(=O)C1 1286749010 ICSQMIPLCXFGOF-HOTGVXAUSA-N 470.642 1.869 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)OC[C@@H]2C1)C(C)C 1286750913 JNVHHAHHXYAHIC-VQTJNVASSA-N 471.606 1.854 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(C)=O)cc1 1286758537 PSBWDUUBLUSUBO-FQEVSTJZSA-N 474.587 1.796 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3nsnc3c2)C1 1286800190 HQKSHFZHGOZELX-HIFRSBDPSA-N 463.589 1.723 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1286814556 BWALYQORVNXWDL-UHFFFAOYSA-N 456.572 1.722 30 10 JDEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286833635 JSOQCMKMFTWYKG-IBGZPJMESA-N 455.588 1.950 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccnc(OC2CCCCC2)c1 1288869112 FYUYBUCJIJFJGQ-VQIMIIECSA-N 489.602 1.772 30 10 JDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)N(C)C 1300456394 ZMVZRBQOGHHMBE-UHFFFAOYSA-N 457.560 1.197 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1CCCN1CCC[C@H]1C(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1300492042 LHIVOKCRICSGAC-PMACEKPBSA-N 476.647 1.115 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 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C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1358919302 ZDZJNGSFRMEUQE-QZTJIDSGSA-N 488.589 1.678 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1COCC)[C@H]1CCS(=O)(=O)C1 1358961576 BLICUZSAVKRFQD-VQTJNVASSA-N 471.583 1.441 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@@](C)=O)CCC1 1359025069 BXYGIEZDPGDUHC-STQSFFJQSA-N 495.646 1.974 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccco2)N(CC)CC)CC1 1359027916 AGPMSPIYLUYJHH-HXUWFJFHSA-N 453.591 1.945 30 10 JDEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359060547 ZBGVDWNTUODKDE-UHFFFAOYSA-N 480.638 1.747 30 10 JDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)NC)CC1 1359082466 KAVUGJIJUSDOSE-UHFFFAOYSA-N 452.313 1.376 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1359121860 LQASKVAJZWZFCQ-IBGZPJMESA-N 491.574 1.422 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1359280905 IRXIHLURAMAOSR-MJGOQNOKSA-N 455.563 1.536 30 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1.779 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(F)cc(F)c1 1507538395 LTRLCWRHTSBLGT-RDTXWAMCSA-N 453.515 1.590 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1507634077 IRTBBTGWBFDXID-HXUWFJFHSA-N 465.583 1.400 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3Cl)n2CC(=O)N2CCOCC2)n1 1507717535 VTRUWJISGMNHFQ-UHFFFAOYSA-N 497.987 1.940 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCC(F)(F)F)CC1 1507731792 PAVOOZGSPXGRHW-QGZVFWFLSA-N 498.531 1.320 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNC(=O)c2ccccc2F)CC1 1507896428 JHKHNCWAJBEPPV-HNNXBMFYSA-N 464.567 1.860 30 10 JDEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 1507988322 RQJXHEXCKBTVHO-NQIIRXRSSA-N 453.609 1.898 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCOCC1 1508007325 AFILAXPPIOCERY-GOSISDBHSA-N 497.643 1.407 30 10 JDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1508042369 FERHPGVZSPAFCR-KDURUIRLSA-N 466.590 1.738 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)C(F)(F)C21CC1 1508075897 QPECRDKFYWDOLK-CYBMUJFWSA-N 458.535 1.206 30 10 JDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1508080117 KVFJLMOANQMGSU-UHFFFAOYSA-N 471.587 1.257 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1508086892 PUIKIBNOHNZXFI-HNNXBMFYSA-N 458.513 1.944 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1508139508 BMCXMXVOGBMGGO-AEFFLSMTSA-N 482.628 1.984 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1508139510 BMCXMXVOGBMGGO-SJLPKXTDSA-N 482.628 1.984 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(OCCN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1539210223 CAFYCMVOAVLEDL-OAQYLSRUSA-N 496.637 1.899 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(NC(C)=O)c1 1539326692 YCLXDESGEMJQLR-OAQYLSRUSA-N 484.582 1.081 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2oc3ccccc3c2C)CC1 1539430662 KNFCJPKMCXOSSC-QGZVFWFLSA-N 456.572 1.746 30 10 JDEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539731071 XEXFAKWYZOZFAC-PMACEKPBSA-N 482.585 1.775 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(O)(c2ccccc2)CC1 1540862019 OPGRHBKZEKUJNF-UHFFFAOYSA-N 454.575 1.987 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2scnc2C)C1 1540892900 SXMVETQQBZTMCF-DLBZAZTESA-N 482.632 1.400 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1540907679 DZZLZSOXIQHZBB-QGZVFWFLSA-N 491.643 1.849 30 10 JDEE CCc1nsc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)NC)CC2)n1 1546571796 DDRLUIQJUBJTBM-UHFFFAOYSA-N 451.560 1.693 30 10 JDEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)cc1 1558917541 GRJGJZDNBKVOGS-UHFFFAOYSA-N 452.489 1.154 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1588030324 SKMCNYKJLJYLNK-PKOBYXMFSA-N 479.628 1.066 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC1(C(N)=O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588045214 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C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1595765891 JHFJMSOYZYYJJF-UONOGXRCSA-N 486.348 1.751 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1595773001 LXNBXQJXLDQRCI-LJQANCHMSA-N 454.556 1.619 30 10 JDEE CC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)CC1 1596035597 BXHOQBOTROZVFO-UHFFFAOYSA-N 495.584 1.282 30 10 JDEE CN(Cc1ccccc1)C(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=Nc3ccc4c(c3)OCO4)S[C@@H]12 1614399390 QKJKDAFIHGHXRN-HZDRLRHHSA-N 455.536 1.877 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(CCCOC)[C@H]2CCS(=O)(=O)C2)cc1 1622886401 DWFBUBVGRODESE-KRWDZBQOSA-N 459.590 1.551 30 10 JDEE C#CC[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 1642510708 QPEXTHXKMIGTED-OAQYLSRUSA-N 456.524 1.782 30 10 JDEE C#CCn1ccc(CN(CC)C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)n1 1670598136 UMKJBKOOYNOKAU-UHFFFAOYSA-N 451.487 1.451 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1689930294 OOCAVLMWDVJUBZ-SFHVURJKSA-N 459.547 1.695 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1689982889 WQBWIMWXTMTIOC-HKUYNNGSSA-N 492.623 1.405 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CN(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1689987844 DBVCZKJCFXCZIO-FGZHOGPDSA-N 498.653 1.746 30 10 JDEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCOCCOC)[C@@H]1CCS(=O)(=O)C1 1689988515 QUEPGTAROLSDCM-GOSISDBHSA-N 471.583 1.727 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCOc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1689996673 LUGYUAMESRZTCQ-FQEVSTJZSA-N 485.610 1.723 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1690001735 RAEZDUUYQZDSMJ-SQNIBIBYSA-N 478.619 1.607 30 10 JDEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCOCC(=C)C)CC1 1690113739 SMWNONQNYAZYIK-UHFFFAOYSA-N 471.631 1.895 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2c(C)cccc2C)CC1 1690124876 WGLXZECWNNCCIF-FQEVSTJZSA-N 457.600 1.631 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1690150686 QIRZPGBFLNMWBA-UHFFFAOYSA-N 470.599 1.197 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1690313485 VOLQWDJAQJVDSN-ZWKOTPCHSA-N 453.609 1.658 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1690644446 LIWPHUPGRSAHMI-OAQYLSRUSA-N 490.630 1.436 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1690670941 MJFGHCWVGUVKPW-AZUAARDMSA-N 452.559 1.731 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690677824 BLUNOUFOVVDURH-BHIYHBOVSA-N 487.605 1.266 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1690722837 XIGAKAJYWJURDK-UHFFFAOYSA-N 484.561 1.617 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1690742358 NVLPRPSEBBSXBY-IBGZPJMESA-N 490.655 1.800 30 10 JDEE COCc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 1697817553 BESJXRLVROHZHZ-UHFFFAOYSA-N 491.600 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470.599 1.757 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1705725581 JAFCUYKIRJMYMX-SFTDATJTSA-N 491.614 1.991 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1705819064 CIFVLCSUXKJDDN-HXUWFJFHSA-N 494.662 1.806 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H]1C 1705913431 NZWLDWMCGGHPFZ-XLIONFOSSA-N 477.587 1.449 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705932333 BRVPGHOYRSFRPB-HXUWFJFHSA-N 473.599 1.682 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1705934900 AFDUOCAMHWHESG-UXHICEINSA-N 464.563 1.993 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1705947087 ZOIPZYJEIHGITL-KURKYZTESA-N 471.649 1.393 30 10 JDEE CC(C)(C)c1csc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)n1 1706101441 CYZLGHGXGNKUFW-VBKZILBWSA-N 497.622 1.855 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)CC=C)c1 1722309200 KVDDVRHMIGTDMV-IBGZPJMESA-N 471.583 1.829 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N1CCOCC1 1722390919 XJODEUOWFHRANC-FQEVSTJZSA-N 484.626 1.379 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(=O)NCCC)CC1 1722450113 YBAMYXJNHBMKAR-UHFFFAOYSA-N 466.586 1.966 30 10 JDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722480865 UNNLAAICAQFEAQ-AYBZRNKSSA-N 499.454 1.900 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1722719193 YHRPBXMEUPUYBD-IBGZPJMESA-N 464.526 1.891 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2C)C1 1722723611 ASWSZSZJTASAGG-HKUYNNGSSA-N 497.643 1.375 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1722724842 HVEVHLHZKWQSMF-KRWDZBQOSA-N 484.586 1.329 30 10 JDEE CC(C)CCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CCN1CCCS1(=O)=O 1723386478 AXNISYVMKGERAN-UHFFFAOYSA-N 451.597 1.316 30 10 JDEE 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1190263982 FKIQPNDATMZNQD-NSHDSACASA-N 453.298 1.992 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@H]2CCS(=O)(=O)C2)c1 1286308766 CNHIFKPKTKKOHG-QGZVFWFLSA-N 452.540 1.764 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1286398683 MLLTUHDZBURJOC-SJORKVTESA-N 479.603 1.502 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CC=CCC2)CC1 1286663315 KWVZFTSGRAENGZ-LJQANCHMSA-N 450.609 1.275 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(C)=O)C[C@H]1C)C(C)C 1286750602 DSUMJVJADUHFMI-HMXCVIKNSA-N 457.623 1.985 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1286781278 PYUMYZIHYOOWPP-RTBURBONSA-N 465.558 1.697 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286783861 OCSAVKGIBULPLL-QGZVFWFLSA-N 477.587 1.666 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCc2ccccc21 1286967726 FZJBCBLEPSIWQG-WVBUVRCRSA-N 474.587 1.041 30 10 JDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1299331988 BEBVTGMJDJPJDD-RTBURBONSA-N 472.571 1.630 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCS(=O)(=O)C1 1300298736 HKKAMQDGSZBFIU-JKSUJKDBSA-N 464.617 1.521 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)Nc1c(C)cccc1C 1300307265 CYZGECDBXHSKAP-ROUUACIJSA-N 474.587 1.324 30 10 JDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1300382134 NYDXHNPYVXZKGB-FHWLQOOXSA-N 458.563 1.572 30 10 JDEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1300488346 DBXKRHMLMONVID-GOSISDBHSA-N 487.607 1.555 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1300501380 LBUKHYFFAPBDFR-FQEVSTJZSA-N 488.610 1.458 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCn1cnnn1 1300555072 SGHXYMUIUPZEKM-UHFFFAOYSA-N 451.922 1.401 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCOC2)CC1 1300716868 UAADIAGVSXKLET-CYFREDJKSA-N 459.591 1.711 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(C)CN(C)C2=O)CC1 1300725778 DJNMKRXCUGKICC-DEOSSOPVSA-N 470.524 1.591 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)OC(C)(C)C 1300806408 UTJOXUUDHVLJJJ-HRAATJIYSA-N 482.607 1.128 30 10 JDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1301206796 LQGVUUYEUFGRID-UHFFFAOYSA-N 482.632 1.243 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1301520176 DEEZUMFXNIRKBQ-RADWXHQJSA-N 465.620 1.514 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCC(=O)N(C)C)C1 1301554941 PWWLNTOCNCZJLK-KRWDZBQOSA-N 475.619 1.888 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1301595399 TVTWODMFDLOEAK-CVEARBPZSA-N 480.664 1.729 30 10 JDEE CNC(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1315042599 AWWVCGLRWJHIJR-CYBMUJFWSA-N 499.377 1.549 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[C@H](O)C2)c1 1358902025 CPOMJSGQMXLAKP-IHPCNDPISA-N 450.543 1.837 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1358912483 RYLGYVLOZZPXPP-MOPGFXCFSA-N 457.604 1.879 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1358961945 HMQYHTSOXWVJEP-ICSRJNTNSA-N 471.583 1.497 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358962818 XRSGJBMIZSWBJL-RTWAWAEBSA-N 484.626 1.378 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1358966278 LMLNWCAFIJUMQN-JJCDCTGGSA-N 464.613 1.561 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C)nc(N2CCCC2)c1 1358969619 SLTJZNFBVXRJLV-SFHVURJKSA-N 455.588 1.313 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCN(C(C)C)CC1 1358976756 PCHANLMAIOVNPM-UHFFFAOYSA-N 473.581 1.500 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn(CCCC)nc1C 1358994057 CVFHDEDBNVULMW-NRFANRHFSA-N 487.630 1.427 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1CCN1CCCS1(=O)=O 1358997728 CAMFFZVGALIABM-UHFFFAOYSA-N 455.584 1.972 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359017092 UDOBYICFAMPJDW-UGKGYDQZSA-N 462.547 1.848 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C)C1=O 1359024527 PAWWWNMTLZBONL-KOSHJBKYSA-N 474.606 1.957 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)N2CCOCC2)CC1 1359042092 RBPDFVSBWIGEEL-IBGZPJMESA-N 496.612 1.649 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCO[C@H](C)C2)CC1 1359047238 XMYQNMXAYZSVFR-UXHICEINSA-N 453.591 1.921 30 10 JDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2cc(OC)ccc2n1C)C1CC1 1359246883 NUXNRGHFJMHJKM-CQSZACIVSA-N 459.576 1.987 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCC(NC(C)=O)CC1 1359335620 QCUFMDUVHXPHOH-UHFFFAOYSA-N 465.551 1.702 30 10 JDEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1359343044 LBIYBHWEIJKJBI-HXUWFJFHSA-N 486.646 1.713 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)CCc2ccc(Br)cc2)CC1 1468170243 IDHPJHMTBWTFKR-HNNXBMFYSA-N 457.394 1.565 30 10 JDEE C#CCN(C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 1476068581 ROKNFIUUBAMXQC-IBGZPJMESA-N 458.540 1.154 30 10 JDEE CNS(=O)(=O)c1cccc(Cn2c(C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)c1 1503828497 HIHUQOBMBZGFCD-UHFFFAOYSA-N 452.544 1.136 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507632569 NKOZFQAPFWTZFE-LMMKCTJWSA-N 457.556 1.323 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1507637759 NBCUXOFJBOFYRM-GBESFXJTSA-N 454.575 1.992 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1507741425 SIYRYIQGRKKYII-UHFFFAOYSA-N 470.647 1.678 30 10 JDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1507751193 DSFUNWQJTHXQDG-MRXNPFEDSA-N 459.576 1.831 30 10 JDEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(NS(C)(=O)=O)CC1 1507958806 CXBOBESBNFUIMB-UHFFFAOYSA-N 477.587 1.827 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1508048408 RMJZYQQGBMZNGR-QGZVFWFLSA-N 459.576 1.422 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCNC(=O)[C@@H]1CC 1508074530 SCYCYPZOJGHGSR-INIZCTEOSA-N 477.363 1.733 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1508130525 INUXDKLKWDEZRN-UHFFFAOYSA-N 463.608 1.382 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C#N)o2)[C@@H](C)C1 1508243039 ZTARRTPUNDXOCG-HNNXBMFYSA-N 468.539 1.919 30 10 JDEE C[C@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1510104266 BNPJGSQKENTITB-LJQANCHMSA-N 487.630 1.257 30 10 JDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1512575911 HRFWIFVLWAUKBU-RVHYNSKXSA-N 478.550 1.177 30 10 JDEE COC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)OC 1518710091 CRFKQMPDPJNVHS-UXHICEINSA-N 454.531 1.625 30 10 JDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1539085877 SMXHFEAKWMKMLB-IBGZPJMESA-N 462.620 1.758 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539176558 QNLHBKTYRCCGRN-ZWKOTPCHSA-N 480.635 1.744 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539200168 AOUAYZNFXFEXRH-QZTJIDSGSA-N 478.644 1.407 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1539203953 WRQQCLXXWJAGCT-HQRMLTQVSA-N 478.546 1.599 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1539230500 NDWRCUJNAOYYCC-UEXGIBASSA-N 492.573 1.674 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1539230908 RJPVRNSKCWCINI-ONTIZHBOSA-N 488.610 1.844 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1539491729 UGGRSNOVPPFBAN-GOSISDBHSA-N 455.588 1.450 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COC)C1 1539633207 XEKUTOVTICDFMP-YRPNKDGESA-N 483.635 1.455 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)N1CCOCC1 1539643263 LUENAUZXEKTRBO-DENIHFKCSA-N 457.579 1.416 30 10 JDEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539752467 OXBPIYFSKCUDGB-IBGZPJMESA-N 468.558 1.943 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1540873273 SOBOQFZWIISUNL-UHFFFAOYSA-N 465.583 1.898 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCN(C)C(C)(C)C2)C1 1540884365 OEICIVQFGCRNNT-HYBUGGRVSA-N 462.639 1.738 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(=O)N2CCOCC2)CC1 1588741514 CXDIWKHCJBGTRN-SFHVURJKSA-N 456.522 1.171 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC(F)(F)CO2)CC1 1588864559 FYOQBRVBRFXSEF-OAHLLOKOSA-N 450.515 1.449 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCNC(=O)c2ccco2)CC1 1588946598 FRGWNPCERPTERM-UHFFFAOYSA-N 478.528 1.997 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)(F)F 1593747260 SWIKVUOCUPZALN-CQSZACIVSA-N 455.503 1.592 30 10 JDEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1595070538 CRRPCCFJBGSBGM-ZMPRRUGASA-N 481.619 1.753 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cccc(N2CCOCC2)c1 1611696191 DAZQHKQETBUVQZ-WZONZLPQSA-N 487.630 1.903 30 10 JDEE CCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)CCOCC1 1613744594 BHPOXCHISAJERS-WIYYLYMNSA-N 480.635 1.948 30 10 JDEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(N3CCN(S(C)(=O)=O)CC3)C[C@@H]1C)C2=O 1615248566 JNCOPEVLAIERRA-LAJNKCICSA-N 484.958 1.741 30 10 JDEE C#CCNC(=O)CC[C@@H]1CNC(=O)[C@H]2[C@@H](CCN2Cc2cccc(OC(F)(F)F)c2)N1C 1616139379 BFNJXLDPBDNQGP-YVWKXTFCSA-N 452.477 1.488 30 10 JDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)C[C@H](C)O1 1619736490 COSPWCRXHRQDDL-QFBILLFUSA-N 462.576 1.385 30 10 JDEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(CC(=O)NCCOC)CC1 1625539454 WPXPOSRTVGSUPB-UHFFFAOYSA-N 455.353 1.926 30 10 JDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 1628680574 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450.392 1.817 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nnc1C(C)(C)C 1301519943 AITDBJSANCEZJP-UHFFFAOYSA-N 464.567 1.528 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1301577691 SFNKIJJCJMEZSH-GJZGRUSLSA-N 484.600 1.532 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1301577693 SFNKIJJCJMEZSH-HUUCEWRRSA-N 484.600 1.532 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1358956886 LZOOGKGOOHVFNS-GOSISDBHSA-N 481.582 1.487 30 10 JDEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1358960177 YTCSJGOGICYBHQ-QGZVFWFLSA-N 473.580 1.165 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358963053 BACSYIGNLJYPRT-QYZOEREBSA-N 493.630 1.808 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1358965768 AYLLSWAKNWLOLT-LEWJYISDSA-N 487.674 1.887 30 10 JDEE 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482.651 1.564 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)N(C)C)CC1 1507803971 IAHHUBXDTRRFRE-NQIIRXRSSA-N 475.638 1.388 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1507868722 NXJOOJYSPXSYNR-XLIONFOSSA-N 485.969 1.601 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1508090128 LXNWYPMFRQXWHA-LJQANCHMSA-N 473.622 1.045 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(F)ccc2F)C1 1508123713 JMWSNVLHBKIDJO-MJGOQNOKSA-N 483.541 1.719 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1508137891 SHIHZLFGYFGRIB-UHFFFAOYSA-N 497.643 1.415 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(NC(C)=O)CC1 1508143130 JOGZMMMOSITTJR-UHFFFAOYSA-N 470.599 1.987 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1509781206 IAVPCQYZGLWZSN-NRFANRHFSA-N 499.641 1.887 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1519748565 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C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCC[C@@H](C)C1 1540072063 JEZYCOOKCXJEGP-MSOLQXFVSA-N 454.641 1.744 30 10 JDEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCS(=O)(=O)C1 1540853036 JBVFKTOHGDAHDU-GOSISDBHSA-N 458.588 1.980 30 10 JDEE C=CCn1c(COCC)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1540860467 PJZBUQSVUMFAOR-MRXNPFEDSA-N 469.608 1.909 30 10 JDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1540918072 JBIIDAOFXSAOFU-KRWDZBQOSA-N 453.576 1.715 30 10 JDEE CC1(C)COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1542012641 ARMZABGCNKMLBG-UHFFFAOYSA-N 487.630 1.446 30 10 JDEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1cc(C)n(C)n1 1548372579 LCUDZAUJSNHZHD-LJQANCHMSA-N 478.475 1.713 30 10 JDEE CN(C[C@H]1CCCOC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1554231023 GUMNXAOHKZDNKX-RBUKOAKNSA-N 458.588 1.961 30 10 JDEE C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1557021114 WYWJODDGWITPJF-UFYCRDLUSA-N 459.591 1.478 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1587568235 OVWFWNCEJHUFOC-KEXUJGGDSA-N 459.570 1.734 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1587683702 MVLHWWNACCZZIA-IBGZPJMESA-N 498.609 1.395 30 10 JDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1)[C@@H]1CCS(=O)(=O)C1 1588030479 WEQYSUWMCFKGJW-AZUAARDMSA-N 472.615 1.697 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1588034450 GGBBQNHGOYIXMR-GBXCKJPGSA-N 488.610 1.808 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588035620 WCXWSDJMRRWOJU-AUSIDOKSSA-N 493.630 1.006 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588050675 ULALJTROTYWAAM-UXHICEINSA-N 454.556 1.693 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1588059209 JVQQUVRFKZMIFT-GOSISDBHSA-N 475.590 1.797 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1588219093 KOUZAUQNPSHLSQ-UHFFFAOYSA-N 455.522 1.375 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(=O)NC(C)C)CC1 1588930054 MFEOLEBOTDAPGH-FQEVSTJZSA-N 466.542 1.281 30 10 JDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OCCOC)C1 1589296025 MXSNXPZLVKTNOP-KGLIPLIRSA-N 466.402 1.429 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(N2CCCC2=O)CC1 1595555521 BBIPDUNGYACDII-UHFFFAOYSA-N 452.559 1.771 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1595812693 YZIDYCIGQAIVFW-INIZCTEOSA-N 450.565 1.916 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1595823957 UNFSBSKYDNRUON-HKUYNNGSSA-N 459.572 1.481 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](O)C[C@H]2c2n[nH]c(-c3ccccc3)n2)c1 1603122858 PJGJKQGBNLUWCN-MJGOQNOKSA-N 451.508 1.331 30 10 JDEE CCS(=O)(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)CC1 1617341191 GBMONSIZWODGHF-GOSISDBHSA-N 489.646 1.929 30 10 JDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCCS1(=O)=O 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C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1Cc1ccccc1 1690019434 IPZUEQPPFBQHKN-PKTZIBPZSA-N 496.637 1.348 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1CCCO 1690089432 AQOKBKGAQHBPCT-RTWAWAEBSA-N 454.550 1.855 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1690113742 SSHCWUZPNWADQH-CYFREDJKSA-N 476.622 1.989 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1690170479 KJWICOGPSFYXTH-HZPDHXFCSA-N 488.639 1.816 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1690174929 MGSWOXFWFLRGEX-MOPGFXCFSA-N 467.661 1.095 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)NC(C)C 1690204159 BENVSJILZQQEHO-HSZRJFAPSA-N 486.646 1.772 30 10 JDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1690668146 USLLDQADAHTQAD-KRWDZBQOSA-N 485.614 1.505 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CCC2)CC1 1690717508 IDVGQQVZJQCHMI-UHFFFAOYSA-N 493.655 1.624 30 10 JDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1696630885 HUKQEKUQCNRHLK-NQIIRXRSSA-N 460.629 1.877 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H]2OC)CC1=O 1698096092 CENQBHHEVHCOAF-CTNGQTDRSA-N 468.558 1.839 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1cscc1C)[C@H]1CCS(=O)(=O)C1 1705560843 LGUISDKNFPBFDW-GHTZIAJQSA-N 464.613 1.975 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1705570923 VNOAAKXUOTXWIP-UXHICEINSA-N 459.572 1.086 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)ccc1OC 1705628527 JXKOFTCIMMANSU-OAHLLOKOSA-N 452.964 1.977 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccco2)N(C)C)CC1 1705643753 RHOVTUDTUFVUAL-IBGZPJMESA-N 467.574 1.376 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)O)CC1 1705644118 GYULYINRECKHLC-UHFFFAOYSA-N 472.977 1.598 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N(C)CC(=O)N1CCOCC1 1705656995 PKBWZAPOZYIKRV-UHFFFAOYSA-N 459.572 1.624 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccsc1 1705674621 NFFZIGNOSXFODX-DUXKGJEZSA-N 479.628 1.572 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1705891018 VEEJQVXFTBQWGC-CQSZACIVSA-N 479.588 1.534 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1705902088 GBDVRSKBWLPVBM-RTBURBONSA-N 483.617 1.775 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(NC(C)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705908640 SRVLIDXLBXXXCC-MAEOIBBWSA-N 475.594 1.456 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1705908647 GETWRXHXYFIWJY-ZJOUEHCJSA-N 473.578 1.023 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CCOC)CC1 1705939015 PPGPCQJKVPFHTK-RTBURBONSA-N 469.652 1.566 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1706657257 HDCWYELYQZTJJW-UHFFFAOYSA-N 461.567 1.821 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(N2CCOC2=O)cc1 1706848426 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458.592 1.580 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccs1)N(C)C 1722867499 GTJUXHNHENDFTL-IKGGRYGDSA-N 481.648 1.571 30 10 JDEE CCO[C@@]1(c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CC(=O)NC(C)C)CCOC1 1728814233 FYJGNKJDACDURB-QHCPKHFHSA-N 468.562 1.048 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1740619259 MWUZXCWQEAQEOF-RBUKOAKNSA-N 484.582 1.623 30 10 JDEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1740620568 QLFAGJSJCRJBHO-GOSISDBHSA-N 487.607 1.555 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(CN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1740628699 ZPHNVITUUQXKDP-NHCUHLMSSA-N 457.600 1.519 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(F)cccc2OC(F)F)CC1 1740690449 JDWJRHVHOIZWHJ-AWEZNQCLSA-N 486.520 1.432 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCCC2=O)CC1 1740750465 CBOLVTSFKYKLPL-WFXMLNOXSA-N 494.662 1.851 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1740888791 WKGVJGAYYDWLPI-ROUUACIJSA-N 453.609 1.514 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1NC(=O)CC1(C)C 1740914503 GEDZZKCSSNVUEX-QFBILLFUSA-N 485.614 1.867 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1740950841 JRQYBEIRWZYNLV-UHFFFAOYSA-N 481.601 1.770 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1740951357 WIIUSKPUSFECLW-OAHLLOKOSA-N 462.576 1.319 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@]2(CCOC2)C1 1740953630 MLXQSPSBMAEOJG-LJQANCHMSA-N 465.352 1.344 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(c2nccs2)CC1 1740963342 IGCYLPSMQIRDRX-UHFFFAOYSA-N 455.592 1.615 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1740964263 MQMUQVQRCQGNHX-UHFFFAOYSA-N 488.552 1.761 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)cc1 1740967576 KUPMEDBWITWISY-OALUTQOASA-N 494.639 1.807 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1740974741 PDPYIIGQFLILPC-VGOFRKELSA-N 459.572 1.608 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1740992677 LKKFYUXLKSHEDN-FQEVSTJZSA-N 460.604 1.166 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(OC)ccc1OC 1748670783 BSBWVMQSUUXPLG-BEFAXECRSA-N 463.560 1.134 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCN2C[C@H](C)O[C@H](C)C2)c1 1748692621 JYLFWOQDJJAROT-XQBPLPMBSA-N 493.612 1.785 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@H]2CCS(=O)(=O)C2)c1 1748693174 ZUJJOGXGVHRBBF-MSOLQXFVSA-N 457.556 1.273 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1748812039 OUIKFRSUGJPDFR-OAHLLOKOSA-N 491.375 1.021 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1748814972 MHAHZPOMMWVGRP-GHTZIAJQSA-N 451.662 2.000 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccccc1S(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748817683 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C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1760190300 ZMKRTMFLPOBTPW-HOCLYGCPSA-N 469.489 1.871 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C)cc(C)c1 1760249654 PQEOZROZFQVEOX-OAQYLSRUSA-N 475.615 1.557 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2OCCC2(C)C)n1 1760252498 OKCKVKMGBDSDSX-OALUTQOASA-N 455.563 1.527 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2OCCC2(C)C)CC1 1760271340 VJBFZCJZFJSEBM-HXUWFJFHSA-N 453.591 1.921 30 10 JDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760285484 HTICONVQPHFPFA-FQEVSTJZSA-N 498.653 1.975 30 10 JDEE C=CCCOCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1760446365 OYMWXMRNQGAUBC-UHFFFAOYSA-N 496.612 1.608 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1760524868 LXMXWBDHRQMEEZ-UHFFFAOYSA-N 466.565 1.756 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCN(C(=O)COC)CC1 1760553125 LSSXGTWFMWJVTN-UHFFFAOYSA-N 484.582 1.389 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1760555921 QRRQAIFHBZHDBJ-MSOLQXFVSA-N 461.592 1.278 30 10 JDEE CC(C)(O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1760817137 GNMXKJNBQQGVFT-FQEVSTJZSA-N 472.615 1.535 30 10 JDEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)NC(C)C)CC2)CCC1 1767191909 GRNQVHGVQZPPOK-UHFFFAOYSA-N 492.628 1.770 30 10 JDEE CCOC(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCOCCO)CC1 1870350210 VDLZQTVQRPJGFC-UHFFFAOYSA-N 484.553 1.582 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)C(F)(F)C2(O)CN(C(=O)OC(C)(C)C)C2)[C@@H](C#N)C1 2080658220 MNILSFYWPNTSNV-ZDUSSCGKSA-N 460.478 1.575 30 10 JDEE Cc1cnc(N2C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2241095513 QNSGSRYTUGDPDR-QWHCGFSZSA-N 456.274 1.048 30 10 JDEE Cn1ncc(C(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2255541816 ILBDYECNMMKUAY-NZSAHSFTSA-N 466.347 1.859 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC=CCN2C(=O)OC(C)(C)C)n1 2255801109 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XBMHIZAXANSWLN-XMMPIXPASA-N 460.623 1.185 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1588908808 WTZPMFIDJSJPLM-IBGZPJMESA-N 495.609 1.064 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(S(=O)(=O)CC)CC1 1589483024 MVKMSMFYDQKMEC-WMZOPIPTSA-N 453.609 1.801 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1C(C)(C)C)C(C)C 1595170633 GGWODEOJXXUXDT-RBUKOAKNSA-N 457.623 1.421 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(CC(=O)N(C)C)CC1 1595496869 JGBPZUYOQOTZKP-QGZVFWFLSA-N 485.658 1.644 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(NS(C)(=O)=O)CC1 1595538050 XUTYBNWULFOGSW-UHFFFAOYSA-N 485.570 1.420 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC(c3ccnn3C)CC2)nnc1[C@]1(OCC)CCOC1 1595830535 CZJGDVUYNKOYEO-QFIPXVFZSA-N 478.619 1.649 30 10 JDEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1611359516 BLYFGPDWUDPTHH-HOYKHHGWSA-N 499.641 1.637 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1615916824 HLDFMACVDJNEJR-GOSISDBHSA-N 480.573 1.447 30 10 JDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 1616566344 GATQEHLTFBTACP-QRGRWYIGSA-N 488.614 1.512 30 10 JDEE COc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cc1OC 1619250244 BWJVUADNUCVHCM-UZLBHIALSA-N 492.602 1.609 30 10 JDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1639971341 OQKFOHXDAIXMCB-JXORXQGFSA-N 458.540 1.378 30 10 JDEE C=C[C@H](COC)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(C)CC1 1665101593 CDEGYCLQRRTFKD-QGZVFWFLSA-N 453.609 1.791 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN2CC)c1 1689872200 RGAFLYZDWJXJSI-PZJWPPBQSA-N 484.626 1.721 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689988460 PMKPIQVLZLVHIS-UGKGYDQZSA-N 481.626 1.826 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1689989299 CXQABERAWUNNJD-LEWJYISDSA-N 478.663 1.174 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCO[C@@H](C)C1 1690013326 KLGNXHHEUAAGSS-FQEVSTJZSA-N 473.581 1.766 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2nnc(C)s2)CC1 1690110328 HBGKGTNTQJGCKF-UHFFFAOYSA-N 451.560 1.473 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCCCN2CC)CC1 1690115267 ZAJSTCJOYPWTIB-NRFANRHFSA-N 470.643 1.978 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2cnn(CCOC)c2)CC1 1690117788 VYFIIFAZUZBFCM-UHFFFAOYSA-N 465.558 1.609 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1690136691 IFOPCBJXEVQADE-UHFFFAOYSA-N 473.599 1.850 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1690497910 XYBFLZSNKRHBEU-UHFFFAOYSA-N 487.649 1.631 30 10 JDEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C[C@H]1C 1695811986 CNMKJVDPIRLUQM-MSOLQXFVSA-N 475.619 1.539 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCCC(=O)N(C)C)c1 1705504544 ZTCCJURFFVNCBA-UHFFFAOYSA-N 465.558 1.439 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705506405 XVFVSXHCINKPCJ-TVFCKZIOSA-N 480.635 1.788 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](CC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1705559892 GPZFKOIPJNFAMT-BJLQDIEVSA-N 493.655 1.709 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1705567941 DFWZOCIJHGYGMM-KRWDZBQOSA-N 475.546 1.149 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1705569126 ZTNAOASDXMRDDJ-WTPASJBYSA-N 476.624 1.703 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705569565 HXWDWASMZSSJNW-FQEVSTJZSA-N 471.627 1.995 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[C@](C)(O)c2ccccc2)CC1 1705648497 XRGGXTUUKDFNSO-VWLOTQADSA-N 459.554 1.999 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCCn2cc(CO)nn2)CC1 1705650494 RZMQXBPXSZWXLP-UHFFFAOYSA-N 454.579 1.151 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCC(=O)N(C)C)CC1 1705651076 ILDZINGZHOLSOF-UHFFFAOYSA-N 452.559 1.610 30 10 JDEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705666011 KVBSWXYHFPIJEQ-INIZCTEOSA-N 467.592 1.833 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1705731443 XYGJVGAUBDCGSN-QHCPKHFHSA-N 490.630 1.751 30 10 JDEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1705826314 BASZHRMCQGKMOU-INIZCTEOSA-N 475.619 1.806 30 10 JDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1705833128 VEVLWXSDKBJQLG-QGZVFWFLSA-N 482.632 1.998 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705896388 KYNFBCILSGFOAO-LJQANCHMSA-N 467.530 1.023 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)C3CCCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1705909413 WWMPHMZBNKNOMC-XMMPIXPASA-N 474.606 1.461 30 10 JDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1710980336 AIJYCFMJEAHPHX-UHFFFAOYSA-N 459.576 1.155 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCN(C(=O)N4CCCC4)CC3)n2CC(=O)NCC(F)(F)F)cc1 1712879446 ASVJPUMRSOPQAN-UHFFFAOYSA-N 490.490 1.833 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC12CC(NC(=O)OC(C)(C)C)(C1)C2 1722275952 GQCUKXWYENTDAU-LDSOLPTJSA-N 466.608 1.794 30 10 JDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1722329081 ADPNLQAJNFCTLP-WOJBJXKFSA-N 452.607 1.719 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@]1(C)OCCc2sccc21)[C@@H]1CCS(=O)(=O)C1 1722360162 ZOHUJRXZVVLVPM-OPAMFIHVSA-N 491.639 1.593 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1722365850 GEIOSCCKMHVVFI-SJLPKXTDSA-N 496.586 1.025 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1722367879 YGAOYXSPMDAGCE-HXUWFJFHSA-N 468.583 1.594 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCS(=O)(=O)NC 1722376628 WDMRBTSPFKYXRH-UHFFFAOYSA-N 454.581 1.999 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(N(C)C)CCSC1 1722381952 CFKLPRAUSIMQMQ-DEOSSOPVSA-N 464.643 1.962 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCSCCCO)CC1 1722432841 GQDGRIUQNHWLOU-UHFFFAOYSA-N 453.410 1.907 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2c(CC)nn(C)c2OC)CC1 1722433114 LPQDPRSEGBYNFR-QHCPKHFHSA-N 457.579 1.038 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ncn(C)n2)CC1 1722437895 XENPCBWKAZPAGQ-SFHVURJKSA-N 469.594 1.325 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC2CCN(C(C)=O)CC2)CC1 1722439334 YDBWTBHFBQWQMW-UHFFFAOYSA-N 450.587 1.891 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC2CCN(CCN(C)C)CC2)CC1 1722447747 OMNJKXCSKKABIF-UHFFFAOYSA-N 457.667 1.716 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCOC[C@H]2OC)CC1 1722452065 ASKUFZAPQIGGAG-BURNTYAHSA-N 475.590 1.019 30 10 JDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1722481664 HQEZQSFGQIRGBK-AWEZNQCLSA-N 469.351 1.964 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CCOCC)CC2)CC1 1722566397 QVDOLDRWOGTATG-SFHVURJKSA-N 453.609 1.974 30 10 JDEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCS(=O)(=O)NC)CC1 1722582678 OVRUZTIZNKQQNR-QGZVFWFLSA-N 484.623 1.538 30 10 JDEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722634888 VJKJWNUXAIMEDF-NRFANRHFSA-N 450.561 1.913 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1722693410 MODCVAUSSHPUBB-RBUKOAKNSA-N 454.531 1.512 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722751211 RCSDKXLCCVDBGI-UHFFFAOYSA-N 464.592 1.094 30 10 JDEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740584428 KXCZBJBVMKVKHB-UHFFFAOYSA-N 470.961 1.948 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCSc1nccs1)[C@H]1CCS(=O)(=O)C1 1740616027 PYFPMEHTBSEKNT-HNNXBMFYSA-N 482.657 1.682 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCS(=O)(=O)CC1CC1)[C@H]1CCS(=O)(=O)C1 1740619033 FLJIQZJRGMFMFV-KRWDZBQOSA-N 498.030 1.445 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(CC)cc1)N(C)C 1740640608 RBHBZLWPQJXSND-GOTSBHOMSA-N 498.653 1.549 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XCRLBHQGOSDYSL-UHFFFAOYSA-N 457.560 1.379 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1301587781 TZQACYZBVACTGI-UHFFFAOYSA-N 498.584 1.853 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(C)C)C2)CC1 1301763392 FRNSMGLABPCHSA-JOCHJYFZSA-N 451.575 1.842 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358961629 CBKHRUSSXPULHB-IEBWSBKVSA-N 457.556 1.325 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1358976737 OSJNTNGTHFXRSB-PZJWPPBQSA-N 452.584 1.926 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@H](C)c2ccc(OC)cc2)CC1 1359028794 DWACTDZJTLBKSN-RBUKOAKNSA-N 474.631 1.846 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1359032085 AJCOARCUKORKGP-UHFFFAOYSA-N 463.991 1.293 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCN2CCN(CC)CC2)CC1 1359042839 VWZOOUMUIRTMIN-UHFFFAOYSA-N 493.656 1.947 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C(=O)OC(C)(C)C 1359272026 JJLUBIAVZMGZIH-KRWDZBQOSA-N 484.623 1.656 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1359297508 SSCGYFQAZNCZNY-GOSISDBHSA-N 460.604 1.664 30 10 JDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1359303336 KRNLTZKYNBUSLK-LJQANCHMSA-N 470.599 1.987 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359335078 ZLMANPDVOBELCH-HXUWFJFHSA-N 478.663 1.354 30 10 JDEE CC(C)N(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)C(C)C 1360131458 ADYKVNIXAFXNCI-PXNSSMCTSA-N 471.603 1.172 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1 1360311883 CJQOZAQGCCTVQG-UHFFFAOYSA-N 474.587 1.530 30 10 JDEE CO[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C(C)(C)C 1503961721 CJSFEACEKREUME-IBGZPJMESA-N 483.621 1.815 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Br)cs1 1507537140 GLIJZRYKZBYGOZ-WFASDCNBSA-N 488.433 1.941 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1507574323 MWQCLPKHJLFJNK-HOTGVXAUSA-N 464.596 1.130 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1507622008 AFWWEICTZRXNOP-VQTJNVASSA-N 489.573 1.668 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1507627761 TYLKMVXNDCSBDU-GDBMZVCRSA-N 484.420 1.955 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1507638462 FRRYNKRIPOHUEU-QGZVFWFLSA-N 485.591 1.650 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N2CCOCC2)CC1 1507644641 KWRMETXGGVYIDF-UHFFFAOYSA-N 453.568 1.286 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@H](C)C2)CC1 1507736432 OXQMBUKDAYQNJE-YESZJQIVSA-N 450.609 1.290 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)CC1 1507739924 GYFDPMCAKPSDSZ-PGUFJCEWSA-N 494.621 1.996 30 10 JDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1507782573 KSABYFROECNIKG-MRXNPFEDSA-N 493.410 1.307 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1507858344 CAEXSFRXYWBOSF-UHFFFAOYSA-N 459.981 1.183 30 10 JDEE C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1507860310 MHZFYSLTVYKUHY-UHFFFAOYSA-N 462.913 1.344 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCN(C(=O)C(C)C)CC1 1508078519 CPRYNGYGJCXYNI-UHFFFAOYSA-N 470.574 1.959 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1508131713 PQLSVAOLXUUFTE-MRXNPFEDSA-N 461.592 1.213 30 10 JDEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1508155483 NTWZFRPPIPWKPP-GOSISDBHSA-N 497.625 1.935 30 10 JDEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)nn1 1521826529 SIZRZDMCEIZTGM-UHFFFAOYSA-N 454.350 1.763 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1539071911 HAJLTZBLUSDWTK-HXUWFJFHSA-N 476.647 1.118 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2)CC1 1539072388 QMSLSLLMGFZDGP-NRFANRHFSA-N 472.615 1.741 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCOCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539202395 HTWYJQLUPSZRCE-FQEVSTJZSA-N 494.577 1.769 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccc(-n2nc(C)cc2C)nc1)[C@@H]1CCS(=O)(=O)C1 1539230408 HFYOJVXLOSUZIC-HXUWFJFHSA-N 483.598 1.687 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CCS(=O)(=O)N1CCSCC1 1539272190 UOOLFUJYGQIYLE-UHFFFAOYSA-N 473.624 1.329 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)c1 1539293338 JALHSDWPTKOSLE-BGYRXZFFSA-N 459.612 1.746 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCc2n[nH]c(C)n2)CC1 1539462674 LBXUYDNAJCAFNA-SFHVURJKSA-N 469.594 1.775 30 10 JDEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(S(C)(=O)=O)CC1 1540037263 GUIVFCVODJULJA-LJQANCHMSA-N 463.560 1.465 30 10 JDEE Cc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1S(=O)(=O)N(C)C 1540354058 CDXFFEKSEDQLKJ-CQSZACIVSA-N 450.542 1.423 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)nnc1[C@]1(OCC)CCOC1 1540876329 NYRRJHAMDSYUMB-DFBJGRDBSA-N 497.600 1.791 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(CC(C)C)C(=O)[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1540876696 YMBTXTPHMCGKKJ-WZONZLPQSA-N 462.595 1.314 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1540941970 BOGSIUCAJMNFLH-SCQYRGFBSA-N 471.562 1.003 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1CCCCS1(=O)=O 1541911002 HLBBIEYWKGUSAQ-YJBOKZPZSA-N 480.616 1.364 30 10 JDEE CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 1554356218 GYUPEYGDEKHXAB-UGKGYDQZSA-N 458.588 1.287 30 10 JDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccccc1CN1CCC[C@@H]1CO 1556168232 CMLDKBDMJIWGIB-DYESRHJHSA-N 456.568 1.498 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1587638142 CEAHWTNJLHFKMJ-JENIJYKNSA-N 499.597 1.923 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CC[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1588029987 NMWMUTQDYINKEE-RYRKJORJSA-N 453.584 1.961 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1588034434 FYIDOQMJCOUZSH-RBUKOAKNSA-N 475.527 1.286 30 10 JDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1589110783 ZNRIOJROIRKPML-FQEVSTJZSA-N 454.556 1.436 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCN(CC)CC1 1589216089 JLMCLUHHMJZZOT-MIZPHKNDSA-N 462.664 1.446 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1cc(C)on1 1595497078 PIFMEHBHRXKZRR-UHFFFAOYSA-N 473.559 1.430 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(NC(C)=O)CC1 1595536979 KFSJOWZNVLJJBK-UHFFFAOYSA-N 478.557 1.082 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1N1CCCC1 1595551143 MNACOQICRWFSSI-LJQANCHMSA-N 472.615 1.719 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C 1595759238 DFKUPXZENHVNNP-LNLFQRSKSA-N 481.644 1.872 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1595772598 DXEOFJQGKOMKRV-MRXNPFEDSA-N 451.936 1.840 30 10 JDEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1595860410 NWGUEAWMGKECBU-UHFFFAOYSA-N 470.599 1.800 30 10 JDEE C=CCSCCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595906053 WVXQQVFHPCFUHQ-JOCHJYFZSA-N 475.619 1.825 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1Cc1cnn(C)c1 1608563022 GFPPOOWXLBFAHK-UHFFFAOYSA-N 451.510 1.535 30 10 JDEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)C1 1611778124 CNNDNGILOVHUNH-HSZRJFAPSA-N 479.566 1.922 30 10 JDEE CNC(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1618729097 APYSGHABBARSEV-UHFFFAOYSA-N 453.547 1.560 30 10 JDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@@H](O)C2)CCN1S(C)(=O)=O 1620313720 BSPLLCUUYLEOKZ-ILZDJORESA-N 458.588 1.838 30 10 JDEE C#CCN1CCCN(C(=O)COc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1628350613 FNEXTNMWDQRDIV-UHFFFAOYSA-N 452.533 1.172 30 10 JDEE C=CCN(CCC#N)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 1636421434 PTOXKWKKQQAPCP-UHFFFAOYSA-N 459.572 1.938 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N#C[C@H](c1cccc(Cl)c1)N1CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1 1193988118 FBCUSPJJVXATMA-OAQYLSRUSA-N 455.946 1.703 30 10 JDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1278477568 MCUFHSGINYOPQC-QGZVFWFLSA-N 451.501 1.551 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1286385195 VSQMOYNVGSWUOX-CVDCTZTESA-N 474.583 1.614 30 10 JDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1286453111 WBWHCKQKIRCPRL-VWKPWSFCSA-N 467.592 1.058 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCNC(=O)c2cc[nH]n2)CC1 1286484016 FSDLAJAALIWMFN-UHFFFAOYSA-N 462.558 1.328 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1286489489 VCDQTHRPLGFXPH-NRFANRHFSA-N 485.610 1.887 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)c2ccsc2)CC1 1286490083 GVWVCWBDDSPLDQ-HTAPYJJXSA-N 456.572 1.164 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286495556 ZGWGHJWVPNUDGD-UHFFFAOYSA-N 456.638 1.033 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(C)CCOC 1286517034 BWUMJBYATPXIGY-HSZRJFAPSA-N 474.631 1.766 30 10 JDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1286537376 AHEUOSSDUOPFFC-ZIAGYGMSSA-N 485.383 1.868 30 10 JDEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1286700100 DBXUJHJDICZMST-UHFFFAOYSA-N 471.587 1.723 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1S(C)(=O)=O 1286741197 IHIAWBSQULFYHG-OAQYLSRUSA-N 497.625 1.889 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1286781088 OHWLCMPGQQATRC-FQEVSTJZSA-N 481.601 1.608 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286782514 XBSYIFSRCAJCPS-OAHLLOKOSA-N 460.336 1.224 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(CN2CCOCC2)CC1 1286784080 VXEQZHLPOPBNRU-UHFFFAOYSA-N 484.601 1.813 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCc2ccccc2F)CC1 1286787203 CHIJKNZJOUCRNW-SFHVURJKSA-N 491.589 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484.586 1.397 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1359331603 DLOGBZQDUUSQLW-LAUBAEHRSA-N 463.535 1.067 30 10 JDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)CC1 1359340833 BJJNQIHEELMDHV-UHFFFAOYSA-N 469.615 1.880 30 10 JDEE CC(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1360149218 GHJODYXBMJYXSH-UHFFFAOYSA-N 484.586 1.455 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)s1 1452085539 UNEJWVUXCASBIT-CYBMUJFWSA-N 456.567 1.106 30 10 JDEE C#CCN(C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1478505041 XNNCQPFFOMLPRX-AEFFLSMTSA-N 456.609 1.749 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CN1CCCC1 1507538556 NGNWJNQAWPWIPR-MSOLQXFVSA-N 452.625 1.191 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1507625270 HXKXMPGOCKJDBS-HXUWFJFHSA-N 499.618 1.613 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 1507628556 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C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1(N(C)C)Cc2ccccc2C1 1510172171 CFWQOJYJCOHXEA-KRWDZBQOSA-N 471.631 1.727 30 10 JDEE CN(C)C(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1516967317 ACYBMQLBWPZIHG-UHFFFAOYSA-N 461.574 1.741 30 10 JDEE N#Cc1ccc(N(Cc2ccccc2)C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)nc1 1536616427 DGTBCTJOTBILSI-GOSISDBHSA-N 451.508 1.652 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(CN2CCOCC2)c1 1538975315 ZJNQHGMAPGVGGE-ZWKOTPCHSA-N 460.604 1.227 30 10 JDEE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)CCc2c(C)nc(O)c(C#N)c2C)CC1 1539324972 HUUDFRORLZDSMA-UHFFFAOYSA-N 451.593 1.719 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC(=O)NCc2ccco2)CC1 1539475769 NXDGBKWTOZAXAO-UHFFFAOYSA-N 464.501 1.959 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NCCOC)CC1 1539633328 YNNFFVQCSHCVDB-VWPQPMDRSA-N 476.622 1.038 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1540871603 PFZJEPVXMGOSSD-QAPCUYQASA-N 461.544 1.106 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2CCCC[C@H]2C1 1540908363 UKYUNUCGGVGORG-FHWLQOOXSA-N 453.609 1.277 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)CC1 1541703988 GRNPIFLVNOBBFX-UHFFFAOYSA-N 499.641 1.288 30 10 JDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1547355863 ACNKXFMCTNEESO-OAHLLOKOSA-N 452.487 1.211 30 10 JDEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1555566770 HQVKSAPZPVSDIU-GOSISDBHSA-N 462.576 1.483 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2CCS(=O)(=O)CC)c1 1587689231 DTDHRDZZFOTXHD-UHFFFAOYSA-N 498.565 1.497 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1588049468 GTOOGTYOIUUOJK-UXHICEINSA-N 472.615 1.122 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1588049852 MEZSWIIPWOFPFZ-HZPDHXFCSA-N 483.520 1.246 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CN(C)C(C)C 1588139168 MTWFKBWSYJWNJG-QHCPKHFHSA-N 498.653 1.572 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cc2)n1 1588723349 LHKSYPXPMNBVJZ-LJQANCHMSA-N 486.573 1.850 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2ncn(C)n2)CC1 1588891906 VASJKWARXJIMFC-INIZCTEOSA-N 466.521 1.700 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC2([S@](C)=O)CC2)CC1 1588962128 VRUPIYPWYPZLMI-XIFFEERXSA-N 473.574 1.873 30 10 JDEE C=C(Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)NCCOC)CC1)c1ccccc1 1593782609 RNQBTUDMKRHZHG-UHFFFAOYSA-N 461.570 1.938 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1595496800 HXRSYCGNNAFPLM-IBGZPJMESA-N 455.519 1.457 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CCCCO1 1608578808 HKAHQSIANMHRKS-IAGOWNOFSA-N 453.551 1.362 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)s1 1632507729 WYHCXWVSHGKOQE-CABCVRRESA-N 459.590 1.241 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H]3CC[C@H](C(N)=O)CC3)nnc12 1654647549 YKYZRSJZISXACK-SHTZXODSSA-N 454.556 1.730 30 10 JDEE C=CCOc1c(Br)cc(CNc2[nH]nc3c2c(=O)n(C)c(=O)n3C)cc1OC 1657052436 OUXKHRKFQGTAMU-UHFFFAOYSA-N 450.293 1.908 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(C)(C)C)nc1 1689852136 AYFAGUHFFRECNC-WMZOPIPTSA-N 476.603 1.690 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1689993933 NXRXZOJUYDJIBF-FQEVSTJZSA-N 483.619 1.965 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCNS(=O)(=O)CC 1690004943 LMOYEWKRTLFXSI-UHFFFAOYSA-N 468.352 1.859 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1690117660 QPFGRAZQBTYFNG-KRWDZBQOSA-N 474.968 1.988 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCOCCOC)CC1 1690135525 YQMIUENEIKHWHI-KDURUIRLSA-N 462.595 1.467 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)CC1 1690139513 PUPNRDPGQDWYEL-YTTGMZPUSA-N 450.568 1.694 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H](C(F)F)N1CCOCC1 1690206353 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C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1705931850 CMJFASJSPRKINV-UHFFFAOYSA-N 475.600 1.303 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1705932539 GDCLPQRGGYKSCS-MRXNPFEDSA-N 477.587 1.620 30 10 JDEE CCc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)s1 1709018327 DVSPYPKUXOZDJW-KRWDZBQOSA-N 452.544 1.620 30 10 JDEE CS(=O)(=O)Cc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)c1 1712695656 BYGJDHAUWYTIHJ-LJQANCHMSA-N 456.572 1.952 30 10 JDEE N#C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1712882844 HDBIRPGAAIQWQD-XJKSGUPXSA-N 466.361 1.871 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722361704 JAQKGLSXAYRGII-NQIIRXRSSA-N 468.583 1.164 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(COC)CCCC1 1722412980 GKZCDGWHGPBOOY-SFHVURJKSA-N 453.609 1.667 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccc(C)cc2)N2CCCC2)CC1 1722431789 NXXNNJUJMUSKPD-GGAORHGYSA-N 499.685 1.789 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(C)C2CCCCC2)CC1 1722442110 YDAACCWFXJBRQG-UHFFFAOYSA-N 469.634 1.744 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCS2)CC1 1722447832 QYFXFMBMMGWTMU-IRXDYDNUSA-N 451.618 1.042 30 10 JDEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(OCC(N)=O)CC1 1722538179 UYVRLVPEYWVFTG-HXUWFJFHSA-N 457.531 1.854 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1722727302 HKOMZKDJNATJEG-VQIMIIECSA-N 498.602 1.498 30 10 JDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722735178 NUXBWLISYNYCSL-QFIPXVFZSA-N 490.655 1.831 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H]1CCSC1 1722750838 PNJBVVGEPVVESS-KRWDZBQOSA-N 499.684 1.738 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1c(C)noc1C 1740554219 XLLBLIGLMLQXQD-GRDNDAEWSA-N 450.565 1.477 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1740624749 LOUAWQNKAPNKMI-NRFANRHFSA-N 469.611 1.887 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)nn1C 1740686845 XJFMRSQSALKHPE-LJQANCHMSA-N 473.578 1.763 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(O)CCOCC2)CC1 1740700861 LGEJFGCJTTVMGX-UHFFFAOYSA-N 494.596 1.655 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCOC2)CC1 1740703262 LNJXAHJSEWMKKB-QGZVFWFLSA-N 453.543 1.965 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1740707606 IUUKZWGZZDUUMG-RUZDIDTESA-N 482.654 1.911 30 10 JDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(S(C)(=O)=O)CC1 1740714245 UKRMOMNGQPRSGB-UHFFFAOYSA-N 463.585 1.164 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)NCC)CC1 1740752535 XUIDYPYAWRXELI-QYZOEREBSA-N 450.584 1.835 30 10 JDEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740765462 XWZXOMGQZNFOTB-NRFANRHFSA-N 482.006 1.814 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccccc1F 1740782555 VQVCJYVAQOZTFZ-SFHVURJKSA-N 453.540 1.841 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1740961585 FNRHUVMSDPNLQL-JOCHJYFZSA-N 494.625 1.285 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCO[C@H](C)C2)C1 1740979889 GOUMEIXCHLMFNO-MKXGPGLRSA-N 469.608 1.207 30 10 JDEE CCS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)OC)CC1 1747435931 DFWZPJBNJSQABT-INIZCTEOSA-N 462.576 1.672 30 10 JDEE CCS(=O)(=O)NCCn1c(C2CCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1747445152 FYJLFQGROIEISW-UHFFFAOYSA-N 461.567 1.822 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)CN2CCOCC2)c1 1748690499 SXDJHDHJFZODKR-FQEVSTJZSA-N 493.612 1.539 30 10 JDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1748812736 ZNVSJLGOQABSDE-IBGZPJMESA-N 454.556 1.528 30 10 JDEE COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)cc1O 1748812776 FNRWWTUIHQZEFV-LJQANCHMSA-N 476.559 1.113 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccccc2OCCOC)CC1 1748994376 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WPTKXLDZXOQDIR-UHFFFAOYSA-N 489.580 1.814 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C1CCC1 1749723646 ALRBFKPCZQNQDT-UHFFFAOYSA-N 467.617 1.785 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccccc2F)C1 1749738714 VSVKLXARQFMKJD-LJQANCHMSA-N 477.562 1.718 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1760206343 WYWTVHZYVFXHQL-HXUWFJFHSA-N 476.585 1.020 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760322891 YWIUZQOYEICUKH-FHWLQOOXSA-N 494.662 1.792 30 10 JDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)N(C)C)CC1 1760352979 CPZOVQVVVHLDOF-UHFFFAOYSA-N 456.547 1.477 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1760532659 AURQGBQNSTZITP-KNQAVFIVSA-N 490.561 1.666 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](COC(C)C)C1 1760552820 BPRAOANAHDNQKP-IBGZPJMESA-N 492.598 1.947 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C(C)C)C1 1760555144 YHJOBUTXRGLCMW-CVEARBPZSA-N 462.663 1.359 30 10 JDEE COc1cc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCO)ccc1OCCN1CCOCC1 1862575979 JURJCBAMNOXZES-QHCPKHFHSA-N 497.548 1.559 30 10 JDEE C=CCN(CC=C)c1nc(NC(=O)c2cccc(OC(C)=O)c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870002096 BPNIFWYVFHLIEC-QGZVFWFLSA-N 459.528 1.994 30 10 JDEE C=CCn1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc2c(=O)n3cc(C)ccc3nc21 1875236910 GLVDZQHGMSQDEK-UHFFFAOYSA-N 465.535 1.764 30 10 JDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cnc4c(c3)c(C)nn4C)CC2)CC1 1889718429 NXHFPWMKNBYVEM-UHFFFAOYSA-N 474.631 1.087 30 10 JDEE COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)n2)c1 1891673524 XQJSRAUFLCBGKU-QGZVFWFLSA-N 476.493 1.659 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CO1 2247962925 RVEQXSWQFFVRCH-LBPRGKRZSA-N 460.383 1.877 30 10 JDEE CC(C)(C)OC(=O)N1CC(ONS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2255944479 ZMCJTTGCOOATMR-UHFFFAOYSA-N 475.398 1.413 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255950319 LDVKKEUCURNSDY-ZIAGYGMSSA-N 474.410 1.618 30 10 JDEE C[C@@H](COCC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2256604705 FNPOFTDSWUHXNO-ZDUSSCGKSA-N 455.386 1.988 30 10 JDEE Cn1ncc(C(=O)NCCCOCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267510921 TZJWELZZKJLBMZ-UHFFFAOYSA-N 452.361 1.381 30 10 JDEE CN(CC[S@](C)(=O)=NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267513852 RRGRDZVWLOPAEX-YTTGMZPUSA-N 470.401 1.824 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@@H](O)C1 2282033862 ZTNZLGJHQRCNOH-HOTGVXAUSA-N 465.331 1.620 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)[C@H](S(C)(=O)=O)C1 2282635321 WNHYPORHPOHYRH-HUUCEWRRSA-N 484.380 1.341 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 2282855007 YMOJEEMQDLSGMP-GJZGRUSLSA-N 482.412 1.349 30 10 JDEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)nn1 2283971498 YBRZVDZPWVJYRP-INIZCTEOSA-N 458.328 1.714 30 10 JDEE CC(C)(C)OC(=O)NC1([C@@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CCOCC1 2318898958 DRXUGIOLHSGSDF-DLBZAZTESA-N 453.584 1.832 30 10 JDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2343634997 BYCDBNMXFMILLW-GJZGRUSLSA-N 452.336 1.749 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CCOC[C@@]2(CO)CNC(=O)OC(C)(C)C)n1 2362156215 FZDOZPGCWZVPQR-QHCPKHFHSA-N 463.384 1.782 30 10 JDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)NCc2ccc3c(c2)OCO3)n[nH]1 59887808 QDZWZNSZROMMAJ-LSFURLLWSA-N 472.531 1.194 30 10 JDEE Cc1cc2c(cc1S(=O)(=O)N1CCN(C(=O)c3ccc(C#N)cc3)CC1)O[C@@H](C)C(=O)N2 64889688 QSTDSVUIJQTQPW-HNNXBMFYSA-N 454.508 1.733 30 10 JDEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H]1C 204870235 FWSPUCDBHHCOSB-HZPDHXFCSA-N 475.399 1.726 30 10 JDEE CC(=O)O[C@H]1[C@H](OC(C)=O)[C@]2(COC(C)(C)O2)OC[C@H]1OS(=O)(=O)c1ccc(C)cc1 247956936 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1286793505 GVVMALPVEAQKNM-IRXDYDNUSA-N 473.578 1.463 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[C@@H]2NC(=O)NC2=O)C1 1286803430 HMSOQHQABGXOHB-GJZGRUSLSA-N 492.378 1.816 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286823407 MZWNWOMNPDHMRV-KRWDZBQOSA-N 472.564 1.220 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CC[C@H](C(F)F)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300482834 HKXSDBLTZNRLEA-IAGOWNOFSA-N 459.563 1.384 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1300492283 MMPOXYWFSQFJTE-GJZGRUSLSA-N 456.528 1.256 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1300496920 WJXMWPYHMSGOII-IAGOWNOFSA-N 464.617 1.939 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1300497268 XVTAEHJLJQPFSV-CABCVRRESA-N 454.503 1.439 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccnc(C(C)(C)C)n1 1300631469 QQPATIFWMVZWSP-LJQANCHMSA-N 489.646 1.791 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1300700645 UBHREEFNWPHIBD-RTWAWAEBSA-N 457.623 1.218 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC(=O)NCC(F)(F)F)CC1 1300726107 HTMGBXBQMORLMF-UHFFFAOYSA-N 480.466 1.652 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1301457802 AZXPKAKEMXNHOL-WBVHZDCISA-N 466.539 1.379 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1301520777 OTNZIYTTWUGZIN-REWPJTCUSA-N 488.633 1.923 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)s2)C1 1301558754 YETFTBSJHDFIIE-FUHWJXTLSA-N 467.617 1.811 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1301578081 RODXZCMWUIFRSZ-UHFFFAOYSA-N 480.550 1.673 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)CCO1 1302263402 HHEHBHWHRFRABD-PMACEKPBSA-N 484.557 1.962 30 10 JDEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1302484248 HSNFCLSHZSXGPM-GCJKJVERSA-N 460.604 1.989 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1358886985 NYFBQNIKOFYBCE-LSDHHAIUSA-N 455.544 1.476 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(COC)CCCC1 1358890062 KMVQHPYWOSOLDB-ROUUACIJSA-N 453.609 1.666 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358962415 PKQYVTSLJGIFPX-QGZVFWFLSA-N 468.587 1.670 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1CCS(=O)(=O)CC1)[C@@H]1CCS(=O)(=O)C1 1358962454 QGZWICXCWNTWIX-GOSISDBHSA-N 477.612 1.100 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H](C)N2CCCCC2)CC1 1359028956 KKAWPRJCAFVLHE-HXUWFJFHSA-N 450.591 1.945 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359060191 NIZWARLCGFEBLE-UHFFFAOYSA-N 496.684 1.496 30 10 JDEE C=C(Br)Cn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1359088389 JOFIUWOQGXPQIE-FQEVSTJZSA-N 499.410 1.012 30 10 JDEE C=C(Cn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1359140654 IJTXORXTUDRPAU-SANMLTNESA-N 496.612 1.817 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1359291063 CWKZJRKELAKWEU-UHFFFAOYSA-N 465.602 1.917 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H]1c1nncn1C 1359293981 HARZLXVSMHXXIH-GOSISDBHSA-N 452.519 1.735 30 10 JDEE N#Cc1ccc(OC2CN(C(=O)CCNS(=O)(=O)c3ccc4c(c3)OCCCO4)C2)cc1 1447456408 AXYSAGLUEHAILE-UHFFFAOYSA-N 457.508 1.678 30 10 JDEE CCS(=O)(=O)C1CCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1448733849 BTRXTJFIAYSBII-QGZVFWFLSA-N 455.602 1.566 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCN1CCCS1(=O)=O 1507519766 KCLCKTMSIHQVCI-ZDUSSCGKSA-N 455.382 1.540 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@]2(C)COCCO2)c1 1507546679 HJMVVTFGJIKDFK-XMMPIXPASA-N 466.542 1.376 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(C)cc2)CC1 1507588866 RVVRJMUFMXJGTI-NRFANRHFSA-N 472.615 1.659 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1507623158 PBPHKAMNJVRWEU-ULQDDVLXSA-N 499.684 1.455 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H]1CCCN1S(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1507626431 AIKPTRIYBKYREL-MOPGFXCFSA-N 491.639 1.304 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1Cc1nnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1507628566 XIJQNMZCIGEGFT-QZTJIDSGSA-N 454.560 1.019 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507632303 YTODBHQYVPMKFY-LJQANCHMSA-N 473.603 1.144 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC2(CCOCC2)C1 1507671255 HVMCWXNSBKMMOE-HXUWFJFHSA-N 475.615 1.281 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)CC1 1507732620 QLUZOLCGCPYPBD-UHFFFAOYSA-N 463.586 1.595 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCc2cccc(C(=O)NC)c2)CC1 1507736859 UCFFMYYDWDGFGY-UHFFFAOYSA-N 473.581 1.852 30 10 JDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1507783010 RNGGSLNNEHWQGK-UHFFFAOYSA-N 460.340 1.712 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1507916143 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C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCNC(=O)C(C)C)CC1 1539474607 VGPKPSUHFPMJJX-UHFFFAOYSA-N 494.596 1.844 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCCN2CCCO)CC1 1539477292 LJRWFCZXWYIRBI-NRFANRHFSA-N 465.602 1.461 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1540861733 DTOULDNLMFGCTD-OPAMFIHVSA-N 455.519 1.002 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1540864550 DCOINNVLGMGANT-GUYCJALGSA-N 489.374 1.733 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OCC)CC1 1540876749 ZQOLHBUCEOHMKW-KRWDZBQOSA-N 491.593 1.931 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(=O)NCC(F)F)C1 1540889390 KWVFLYZPQDSOTM-AWEZNQCLSA-N 483.545 1.401 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1540898146 AXKSGZGJIGYTJC-AWEZNQCLSA-N 499.435 1.704 30 10 JDEE COCCN1C[C@@H](Cn2c(N3CCN(c4nccnc4C#N)C[C@H]3C)nnc2C(C)(C)C)CC1=O 1555576167 APILFDNRUAWRRS-MSOLQXFVSA-N 481.605 1.447 30 10 JDEE CCOC(=O)COc1ccc(CCNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 1564172468 DSLSRNNILYSDLN-QGZVFWFLSA-N 452.515 1.753 30 10 JDEE COc1ccc(CN2CC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2=O)cc1 1565746140 FJBOCSPSRXXTFY-QRWLVFNGSA-N 456.524 1.151 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(S(N)(=O)=O)cc1 1587621342 SCCSQLUDQWCIJK-CQSZACIVSA-N 456.528 1.354 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(NC(C)=O)nc1)[C@H]1CCS(=O)(=O)C1 1588039743 DJXYUJZQVFSJAD-NRFANRHFSA-N 489.561 1.845 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588049274 DJQKRFHHUIKZCF-AQNXPRMDSA-N 471.631 1.730 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1csc([C@@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1588074259 LLDWXRZBCGROHY-ZBFHGGJFSA-N 453.590 1.654 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1588075077 WXWPOGVXRDAFHX-DFQSSKMNSA-N 474.631 1.914 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1595701197 XTYDEUCYMNXNOK-JPYJTQIMSA-N 492.598 1.683 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1595798174 MYAYKSLERCNUHH-FQEVSTJZSA-N 470.599 1.971 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1595838104 KTXCACYOIGLMCM-QGZVFWFLSA-N 484.586 1.611 30 10 JDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1595850128 JIZUUEHKUWTXDT-KRWDZBQOSA-N 465.601 1.219 30 10 JDEE CC(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CCS1 1603089957 CWZPLCSUSDFXNW-GHTZIAJQSA-N 461.613 1.944 30 10 JDEE C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34/C=N/NC(N)=S)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 1614465187 GCCGBFMXLFQGFE-PQQUPNHKSA-N 477.627 1.518 30 10 JDEE C#CCN(CCNS(=O)(=O)c1cnn(C)c1)[C@@H]1CCOc2ccc(Br)cc21 1615536242 RCCJQLYJHRPUDC-QGZVFWFLSA-N 453.362 1.920 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CC1(S(C)(=O)=O)CC1 1619899528 AAVKZBVHKAVWJB-UHFFFAOYSA-N 467.555 1.837 30 10 JDEE C=CCn1cc(CNC(=O)CN2CCN(Cc3ccc(Br)cc3F)CC2)nn1 1626977060 KBASQBPLTUUMEU-UHFFFAOYSA-N 451.344 1.800 30 10 JDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 1630445565 HGVSKGAZUACFKF-CFVMTHIKSA-N 463.478 1.325 30 10 JDEE COc1ccc(C2=NO[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)cc1C 1633758550 FYNFUQSZGAXCKR-YJBOKZPZSA-N 456.524 1.852 30 10 JDEE C=CCn1cc(CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)nn1 1683315050 GPRWOCAXAIWKGO-ZACQAIPSSA-N 461.523 1.188 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1689860745 GUTKHJGVJMVQLB-NHCUHLMSSA-N 470.643 1.535 30 10 JDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1689980879 YVLAPAKSHLMKMX-UXHICEINSA-N 478.640 1.881 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1689996974 SMHJHLULHUQFMF-SJORKVTESA-N 496.586 1.058 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(CCOC)c1 1690048979 VIFKKTIYSMPJAR-NRFANRHFSA-N 497.600 1.941 30 10 JDEE 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487.649 1.288 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(C)C)C1 1301585286 KXVLWRFRBMTUNO-IBGZPJMESA-N 486.598 1.654 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1301596716 WXMSVXPGZSEUFN-HXUWFJFHSA-N 456.572 1.929 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2CCNS(=O)(=O)Cc2ccon2)C1 1302977666 BSXLILCHKJRPPN-QAPCUYQASA-N 453.500 1.069 30 10 JDEE CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)C 1315192634 CISGRNDOHMXFLX-FUHWJXTLSA-N 476.607 1.153 30 10 JDEE C#CCCCn1c(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1358936775 XKJWSSOMEIXSAY-OZXSUGGESA-N 488.677 1.963 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCOCC(F)(F)C(F)F)CC1 1359033331 YGPYFSMMGZETTM-UHFFFAOYSA-N 493.469 1.593 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCC(=O)N(C)C)CC1 1359039997 DUVRJLFGRAMZTM-KDURUIRLSA-N 473.622 1.672 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1359049215 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490.630 1.214 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2=CCCOC2)CC1 1588898870 GGDWFKOLUROXQV-UHFFFAOYSA-N 483.594 1.661 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1588984906 LUKFKRQEGVHMKN-INIZCTEOSA-N 470.665 1.338 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1589109475 BHPUWGBTSPGXNC-UHFFFAOYSA-N 467.603 1.007 30 10 JDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1593621339 QVLYAOQYYUFLAV-GOSISDBHSA-N 488.662 1.851 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1593691497 WRPYIPMHNGYMGB-OAQYLSRUSA-N 481.601 1.455 30 10 JDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1594615098 DJZRSSLYFSQSAU-JBACZVJFSA-N 457.623 1.964 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCOCC2)CC1 1594812638 IEHIHNOUHMBBNX-FQEVSTJZSA-N 467.636 1.322 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1595761265 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487.674 1.691 30 10 JDEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1722525008 FTZQWQRDNYGRHM-UHFFFAOYSA-N 460.564 1.356 30 10 JDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1722568432 LYELKPVBXXFFOA-UHFFFAOYSA-N 465.601 1.366 30 10 JDEE C=Cc1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)cc1 1722570694 HQTHTWXYOFBEDZ-KNQAVFIVSA-N 474.562 1.939 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@H](C)C1 1722698929 PJLNPKPMNGFOKR-BBWFWOEESA-N 464.567 1.502 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)NC)CC1 1722724307 SUZPOAZVXRFHRH-IBGZPJMESA-N 460.604 1.882 30 10 JDEE Cc1nn(C)c(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1725816750 DYCKLZQTEAJYOZ-LJQANCHMSA-N 482.614 1.981 30 10 JDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1740565618 YRCGSHRMOSDGKT-UHFFFAOYSA-N 483.617 1.258 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1740575972 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C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn(CCCC)nc1C 1760294600 BJWHNEQSUOZICX-NFBKMPQASA-N 489.646 1.956 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 1760516465 NZSQOOLGQYPJSF-JKSUJKDBSA-N 487.586 1.716 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760528205 VTSCMMZEEJOCNS-XMMPIXPASA-N 497.625 1.996 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCN(c3ccncc3)CC2)C1 1760535242 NORTUEHQTAVJLS-WIYYLYMNSA-N 489.646 1.981 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC(=O)N1CCOCC1 1760553823 JAZQIBRPJJDENZ-UHFFFAOYSA-N 499.597 1.027 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCCC2)CC1 1760557301 HFWZDJGGDHRQCQ-UHFFFAOYSA-N 464.636 1.456 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC1(CS(C)(=O)=O)CC1 1761465408 CULXFVHURNNTLE-HNNXBMFYSA-N 480.616 1.221 30 10 JDEE Cc1ccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2CC(=O)NCC(F)F)o1 1761758996 GDHIYBYWQWIXTF-ZDUSSCGKSA-N 471.472 1.605 30 10 JDEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CC1 1765496802 AOTSRANGMASHBH-UGKGYDQZSA-N 485.658 1.856 30 10 JDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@@H]2C)CC1 1769150951 FDYFGRQDJPPIDL-IBGZPJMESA-N 467.574 1.508 30 10 JDEE CS(=O)(=O)CC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)CC1 1770325122 DPFCKYVILVDDPF-UHFFFAOYSA-N 456.572 1.733 30 10 JDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(O)c(O)c1 1862607675 VCISHVMLMANJKY-HXUWFJFHSA-N 454.435 1.583 30 10 JDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(C(=O)O)cc1 1862628508 AMDBUOLBCZVBNK-IBGZPJMESA-N 452.419 1.828 30 10 JDEE CC(=O)N(CCN)C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1868784481 XNBASWMLBWBWFG-FGZHOGPDSA-N 497.621 1.792 30 10 JDEE C=CCn1cc(OCC(=O)OCCOC)c(=O)cc1CN1CCN(Cc2ccccc2)CC1 1870476387 OVOVSNFYOHWTCY-UHFFFAOYSA-N 455.555 1.921 30 10 JDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccc(OC)cc2)cn1CCOCCO 1870648659 GRLBGHLMSSMPHM-UHFFFAOYSA-N 485.581 1.735 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)CC1 1889456855 BVXODUFKIIIVTQ-JOCHJYFZSA-N 452.599 1.688 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)C1 1892797971 NBPFDFQOUXBTKB-KFWWJZLASA-N 470.397 1.571 30 10 JDEE N#Cc1ccccc1NC(=O)COC(=O)C=Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 2040421438 CMEKFNOKRAQFCO-UHFFFAOYSA-N 455.492 1.774 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2247845675 UBYVDJFPROEGAU-MSOLQXFVSA-N 454.336 1.907 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255535180 QZGGNKVREIBKQR-STQMWFEESA-N 453.370 1.542 30 10 JDEE C=C(CS(=O)(=O)N1CC[C@H](CO)[C@H](NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255794410 LEBYQNLDFDJTMA-HZPDHXFCSA-N 460.402 1.711 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255843364 GGJYAIVWCRMALW-KGLIPLIRSA-N 453.370 1.854 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256626080 FPTJLPXLMMENDZ-OCCSQVGLSA-N 453.370 1.429 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2267372424 OLQLGHIRLVHZPT-CABCVRRESA-N 488.437 1.696 30 10 JDEE C[C@@H](CCNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)N(C)Cc1ccccc1 2267709930 KLHKWHSBJCRAIW-KRWDZBQOSA-N 462.425 1.908 30 10 JDEE Cn1ncc(C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)c1B1OC(C)(C)C(C)(C)O1 2281827166 RYRGXQLCADXNAO-UHFFFAOYSA-N 454.380 1.476 30 10 JDEE CN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282337101 DVGMXLODGRYVGI-HNNXBMFYSA-N 484.428 1.739 30 10 JDEE CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@]1(CNC(=O)OC(C)(C)C)CCOC1 2282691144 FOMGWCMKKAEEEA-QFIPXVFZSA-N 462.356 1.532 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1 2282830118 PGSBJINXOWDAOV-GJZGRUSLSA-N 484.428 1.691 30 10 JDEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282862845 JCHWVDZYPKTYSQ-GJZGRUSLSA-N 484.428 1.643 30 10 JDEE C[C@@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283059192 CJVVIAQDORBTKP-CHWSQXEVSA-N 456.274 1.695 30 10 JDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2cccc(Cl)c2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 2283110268 RRPROTCJYPILQG-UHFFFAOYSA-N 479.770 1.844 30 10 JDEE C[C@@H](OCc1ccccc1)[C@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284418285 WOBRMHKPAWJIPW-PBHICJAKSA-N 479.364 1.056 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)CO[C@H]1C2 2359267012 JVEHJHDOQXRYGV-AYSMAOOMSA-N 460.340 1.330 30 10 JDEE C=CCN(CC(=O)N1CCCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)COC 36071579 UOKQALDENHQSNB-UHFFFAOYSA-N 453.543 1.852 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)CC1 105265421 KJSBCNVRNIQSKT-UHFFFAOYSA-N 462.616 1.151 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)CCCS(=O)(=O)c2ccc(Br)cc2)CC1 594580803 SXTUZPUPDFVUJX-UHFFFAOYSA-N 472.405 1.449 30 10 JDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 726670111 FMPKODCDKFEOIK-MRXNPFEDSA-N 487.534 1.882 30 10 JDEE COc1ccc(C=NNc2nc(SCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cc1O 1084648963 PEMJOAXXUJSHBW-UHFFFAOYSA-N 491.555 1.733 30 10 JDEE C=CCN1CC[C@H](N(C)C(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1=O 1139239609 VVRCRVSRUAOGKS-ZDUSSCGKSA-N 453.870 1.882 30 10 JDEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 1140964562 OHQUDWNQFVVGER-JLZZUVOBSA-N 459.362 1.980 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CC)c2cccc(S(N)(=O)=O)c2)s1 1154583455 IPJODTVZZQQEKR-MRXNPFEDSA-N 457.599 1.670 30 10 JDEE C=CC[C@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1156149993 QRIZEJRRMOXLGC-LJQANCHMSA-N 451.589 1.476 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H]3CCCN(C(C)=O)C3)nnc12 1161261463 RXDKEPZKJGTKGS-INIZCTEOSA-N 454.556 1.697 30 10 JDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 1208235620 CBPKYGJMJVASOM-UHFFFAOYSA-N 453.540 1.617 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1286381614 NNCASUHEWBEAES-KRWDZBQOSA-N 456.572 1.988 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286388053 LDLSODJBLVCHKP-SFHVURJKSA-N 459.572 1.876 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286393495 DYJBGZDFTNNRSZ-GOSISDBHSA-N 492.001 1.663 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCNC(=O)c2ccc(C)cc2)CC1 1286494739 QKYUKSSFLBNNNH-UHFFFAOYSA-N 485.592 1.968 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)[C@H]1C 1286507724 CAHYUFTVHFRNAY-OAGGEKHMSA-N 459.663 1.308 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286546276 HZMPKGKDDVTLLS-BZSNNMDCSA-N 451.593 1.509 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286793773 LVARQBHZHITGBU-WNRNVDISSA-N 487.605 1.408 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1286820940 WEHBKYACWUPFIX-IAGOWNOFSA-N 469.608 1.828 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1coc2ccccc12)[C@@H]1CCS(=O)(=O)C1 1300485465 WZZQARSGZGTYTI-NVXWUHKLSA-N 491.595 1.310 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1300499895 ZJJZNAKBFOTCIL-GBESFXJTSA-N 462.547 1.175 30 10 JDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1300512734 MDDDZWOSNVWYJT-QHCPKHFHSA-N 471.583 1.282 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1300716485 MQGXMZBFGRWLBD-UYAOXDASSA-N 474.606 1.226 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1300874676 NIFGCCPLSCRPNE-MKXGPGLRSA-N 483.635 1.644 30 10 JDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1300994718 YPMDVQWYBBOULZ-FQEVSTJZSA-N 460.604 1.861 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1301258032 JOPKKIIJZDUKIA-QYZOEREBSA-N 469.608 1.209 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)NC)CC1 1301500915 QYXONABWKFUXMG-KRWDZBQOSA-N 490.609 1.156 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(N2CCNC2=O)CC1 1301502947 UEEFYCFLZIDCQO-UHFFFAOYSA-N 459.501 1.443 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(=O)N2CCOCC2)C1 1301542915 GJYFKSMJLFOPCG-LJQANCHMSA-N 489.598 1.379 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1301585496 CAMRGTAXPFVACO-UHFFFAOYSA-N 479.647 1.687 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCOCC1 1301586350 RRNQCNDZINKUBG-UHFFFAOYSA-N 458.544 1.020 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1301587771 SVPKWAHUNIKXRP-UHFFFAOYSA-N 466.652 1.212 30 10 JDEE CC(C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)N1CCCCC1 1302340390 CQUNDLSPOXIIMS-DYESRHJHSA-N 483.614 1.317 30 10 JDEE CC(=O)N1CCN(c2ccc(NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)cc2)CC1 1302751024 QQGFKDWSBKMWNZ-INIZCTEOSA-N 455.540 1.532 30 10 JDEE CN(C)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)CCOCC1 1314657814 GUNHNYASVJNMEK-SFHVURJKSA-N 453.547 1.151 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1358920240 VRCBRAXNJUHVHM-IRXDYDNUSA-N 468.624 1.995 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1358961435 ZBYOLNBASBUEFN-HXUWFJFHSA-N 480.594 1.844 30 10 JDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCS(=O)(=O)C1 1359002191 QUYONGHTSLOSDV-INIZCTEOSA-N 464.617 1.441 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](C)CN2CCCC2)CC1 1359031660 KPQBKHZQJCUDMZ-OAQYLSRUSA-N 499.685 1.683 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2CCN(CCN(C)C)CC2)CC1 1359033160 RLRHDYPXXYLSDA-UHFFFAOYSA-N 495.672 1.991 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2CC2CCN(C(C)=O)CC2)CC1 1359040638 CHCJANRNQJFAFP-GOSISDBHSA-N 474.606 1.226 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](SC)C(C)(C)C)CC1 1359041274 RUBUUGCXWRTZJN-DOTOQJQBSA-N 484.692 1.632 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2cccs2)CC1 1359045344 CXYJXUBVQJVTEX-JTSKRJEESA-N 491.639 1.115 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1359045459 IDOOAXZZMHCAJL-DYESRHJHSA-N 485.610 1.248 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1359055839 QQHSYQLBJKWAIG-UFYCRDLUSA-N 487.674 1.222 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCC2)CC1 1359215888 LLVSTZXHHHWMND-LJQANCHMSA-N 452.625 1.642 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1359293885 CJXALERUJVTHOM-DJJJIMSYSA-N 465.352 1.722 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1359294000 HMJRTFBDMHXKAC-HTZLVSCSSA-N 488.614 1.095 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1359328264 YQYKHTPLMVKMLS-RXVVDRJESA-N 475.615 1.711 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1359332532 ZVQURMFIKPEFKS-MRXNPFEDSA-N 459.638 1.302 30 10 JDEE C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCCN(c2ccccc2C#N)CC1 1459435810 HKQNMEKXXXJHLW-GOSISDBHSA-N 455.584 1.465 30 10 JDEE C#CCN(C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 1476068582 ROKNFIUUBAMXQC-LJQANCHMSA-N 458.540 1.154 30 10 JDEE CCCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1501201238 CLIGZDYYNNXLDB-LJQANCHMSA-N 451.531 1.675 30 10 JDEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCC2)CC1 1501901131 FPVJITZDFHRMQZ-UHFFFAOYSA-N 464.618 1.903 30 10 JDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CCOC1 1502728395 HRPHTTSNQFCXRY-AWRGLXIESA-N 470.574 1.970 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507622184 GVHFJWJEWIEKHZ-ZWKOTPCHSA-N 489.598 1.532 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(C(CC)CC)no1)[C@@H]1CCS(=O)(=O)C1 1507632991 RBODDLRCMADIDE-SJLPKXTDSA-N 474.587 1.796 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1507635276 VQAFEMSKZNKYBR-HNNXBMFYSA-N 450.511 1.810 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCCCCO)CC1 1507731672 OCTHQLKIKNKBPE-UHFFFAOYSA-N 452.607 1.760 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](COC)OC)CC1 1507734204 ILYKGACUGAVSHG-LJQANCHMSA-N 456.503 1.481 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1507747855 YMFTUTQORDBKHT-JKSUJKDBSA-N 451.622 1.057 30 10 JDEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1507781559 BZTUVWQXJJWXOR-OAHLLOKOSA-N 488.346 1.052 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCc2ccccc2C1 1507983186 PJIUPXXHYGVYKD-HXUWFJFHSA-N 460.604 1.292 30 10 JDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1508022760 ZLBBIKKACZBTBA-OALUTQOASA-N 462.620 1.783 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1508080826 RHIBDRVIOUGEQY-UHFFFAOYSA-N 453.595 1.032 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(CCO)Cc1cc(Br)ccc1F 1508080922 TYGHGOUWVJFKCD-UHFFFAOYSA-N 490.337 1.938 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCN(C(C)=O)CC1 1508084635 CQEKFOAREYZMDH-UHFFFAOYSA-N 478.557 1.036 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1508131513 NKBHGOIPSAWBPI-INIZCTEOSA-N 481.648 1.357 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1508135840 MXDGDTGOVYZWIU-KRWDZBQOSA-N 475.571 1.579 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCOC(C)(C)[C@@H]1C 1508143660 MPWRAEMBLDNRHT-HNNXBMFYSA-N 467.617 1.874 30 10 JDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)C[C@H]1C 1515923779 HPZNMPQNRFDBON-UXHICEINSA-N 453.591 1.980 30 10 JDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1517066227 BFHQBEBYIYNTTI-KRWDZBQOSA-N 474.587 1.657 30 10 JDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1517624764 CJCXJJYMJQTGLS-LJQANCHMSA-N 484.586 1.525 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cn(C2COC2)nn1 1539037287 DEGMSCRGDQFSPF-OAGGEKHMSA-N 456.551 1.718 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1539215626 HGRGDDNPOALVTG-GOSISDBHSA-N 465.583 1.785 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539219213 BMFKVVMRCQPECF-FUHWJXTLSA-N 498.577 1.599 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539231479 VXKZGNJIAGERLA-MZLICYQSSA-N 488.610 1.641 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCCC2=O)cc1 1539265908 KSBKWRPSKMBSLM-NRFANRHFSA-N 465.579 1.424 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1539445754 DRMMKMJTFPKNRN-UHFFFAOYSA-N 485.639 1.752 30 10 JDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1539510279 GUSNDBDJIRAWGR-UHFFFAOYSA-N 462.583 1.862 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1539599285 CNSXIWFEZVOVKL-DLBZAZTESA-N 499.435 1.808 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1540863017 NVTZRGCMYICXQY-SFHVURJKSA-N 463.583 1.032 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1540871751 SPLZTCOQFKFEEZ-ICSRJNTNSA-N 459.639 1.548 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(N(C)C)CCCCC2)C1 1540892585 OJYXYJARPNSKSN-UXHICEINSA-N 496.678 1.657 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CCCCC1)N(C)C 1541115942 HIAOEIGTNLDTGZ-RLLQIKCJSA-N 481.667 1.717 30 10 JDEE C[C@@H](CC(=O)NCC(=O)Nc1cccc2cccnc12)/N=C1/NS(=O)(=O)c2ccccc21 1545032981 GSKAZKMXSNVVGK-AWEZNQCLSA-N 451.508 1.807 30 10 JDEE CCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1548215583 GQGIRFFQENZKIE-OAQYLSRUSA-N 451.575 1.844 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CCOc3cccc(OC)c3)CC2)cc1 1566646569 BOKWXCCLCOQOBO-UHFFFAOYSA-N 459.568 1.996 30 10 JDEE CNC(=O)CNC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1 1586048733 BWIKZHHYQHRTBU-HNNXBMFYSA-N 453.886 1.679 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)cc1 1587640944 WASXXIMOKSWPQK-QAPCUYQASA-N 451.980 1.965 30 10 JDEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1587745976 FIJXRQUPRRSFQR-UHFFFAOYSA-N 484.988 1.909 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588065069 SXFVJSHJQOVDNF-LEWJYISDSA-N 456.616 1.765 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1588813612 ZIFSTEZHRSQERU-QZTJIDSGSA-N 461.563 1.542 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1589547902 WSPYIEBUNQAUGP-XDNAFOTISA-N 472.633 1.175 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCN2CCCC[C@H]2C1 1595759950 HTNCIWZEYQMSOE-SFHVURJKSA-N 452.625 1.472 30 10 JDEE C#CC[C@H](COC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1595816570 GDWCZBCVVMXZEY-QGZVFWFLSA-N 455.964 1.108 30 10 JDEE Cc1cc(CN2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(=O)(=O)N(C)C)CC2)no1 1611956955 DWWYBCMRLDDNCF-UHFFFAOYSA-N 484.586 1.327 30 10 JDEE CO[C@@](C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1)C1CC1 1618921776 AFFBQGWWOURKBH-OFNKIYASSA-N 488.614 1.934 30 10 JDEE N#Cc1ccccc1COc1cccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 1654258894 HRJBALCWIDPGBV-VXKWHMMOSA-N 455.536 1.053 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOc2ccc(Cl)cc2)CC1 1690111977 NTNJHRMQKWJVGY-MRXNPFEDSA-N 466.995 1.376 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cc(C)nn2C)CC1 1690139396 KUFGBUKQKOCKKP-UHFFFAOYSA-N 462.514 1.909 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCS(C)(=O)=O)CC1 1690152248 DKOZFMUCKZKLOU-UHFFFAOYSA-N 463.535 1.007 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCNS(C)(=O)=O 1690251794 ZKVRNOWPTRFEJD-LAUBAEHRSA-N 473.603 1.483 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCn2cc(Cl)cn2)CC1 1690411962 ZAPUUDJFOJHAIB-QGZVFWFLSA-N 469.999 1.564 30 10 JDEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1690523629 IEPXCILTILUXNG-UHFFFAOYSA-N 486.598 1.627 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)OC)C1 1690668627 CFKSJRMDMWKIDT-QGZVFWFLSA-N 493.568 1.928 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1690671211 QWKYZFNIORANAS-SJORKVTESA-N 458.567 1.651 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](O)(c2ccccc2F)C1 1690675163 QMVNAMRJELVHHQ-HSZRJFAPSA-N 453.522 1.679 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1690717683 NMERVHITQGXAHJ-INIZCTEOSA-N 482.628 1.953 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCSCCCO)C[C@H]2C)CC1 1690864570 URZVTFBNOFCVRG-AUSIDOKSSA-N 497.669 1.921 30 10 JDEE CC(C)N(C)Cc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1692799086 FKMVXTGCPKXXGG-PXNSSMCTSA-N 475.619 1.506 30 10 JDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCOCC1 1696577786 BFQBLVGRDJYIPC-QFIPXVFZSA-N 481.601 1.898 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(Cl)cn1 1705495404 PHFKGXCFNBTQAO-GDBMZVCRSA-N 468.967 1.196 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(c2cccc(F)c2)CC1)[C@@H]1CCS(=O)(=O)C1 1705558861 KJLCSGNTCIXSEY-LJQANCHMSA-N 473.574 1.914 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1705568206 JGBVLKMDRWJRJL-QGZVFWFLSA-N 485.570 1.162 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)N(C)C 1705611521 GWTRIFAPOFPMCF-UHFFFAOYSA-N 457.560 1.026 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@]1(O)CCN(C)C1 1705623234 KRQHXOXETKCODY-SFHVURJKSA-N 454.394 1.922 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)CC=C)CC1 1705648150 OQPBDPQWBAYKAM-LJQANCHMSA-N 492.646 1.179 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)CC1 1705910701 KICFTRIDUUJYNY-UHFFFAOYSA-N 454.575 1.896 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1705937820 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C=C(C)COCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1740793825 YGPLBGDHVJHALA-UHFFFAOYSA-N 486.598 1.893 30 10 JDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNS(=O)(=O)c1ccccc1)C1CC1 1740909949 DUZLCZOAGZKYIR-INIZCTEOSA-N 465.601 1.314 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(OCC(=O)N(C)C)c2)C1 1740978708 AZQPBMIAOURNQO-VQTJNVASSA-N 468.558 1.526 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)CC1CCOCC1 1740990299 PXTCLYKKFJNNDB-UHFFFAOYSA-N 451.549 1.469 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCCN(C(C)(C)C)CC1 1740990721 YSBFUVANNAWOGF-UHFFFAOYSA-N 478.619 1.917 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)NC)CC1 1740995082 ZCDVABVQJUQQEJ-UHFFFAOYSA-N 460.604 1.516 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccc(F)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1741021136 PTXWOIDGRYWVJI-QNBCRBJRSA-N 495.559 1.839 30 10 JDEE CCS(=O)(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1747443909 FQMDKDCDQRSZLL-KRWDZBQOSA-N 494.021 1.573 30 10 JDEE 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C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1749727208 PWZOCDKXRNEAHJ-HXUWFJFHSA-N 484.582 1.245 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1749736459 JKMKMEPTVBHCCS-ICSRJNTNSA-N 494.687 1.782 30 10 JDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760128052 WGMZFZWBCGEKFQ-FPOVZHCZSA-N 455.607 1.306 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)CCOC)c1 1760129086 XMINIUNHZKEYIY-JPYJTQIMSA-N 489.598 1.024 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1C(F)(F)C12CCC2)[C@@H]1CCS(=O)(=O)C1 1760182172 HPLJLUFVXFTSDJ-CABCVRRESA-N 455.531 1.478 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1760183031 OBRQSNKVZCLLIO-FQEVSTJZSA-N 472.615 1.175 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760191517 IULDXIPJQQMEOZ-LSTHTHJFSA-N 460.604 1.439 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(c2ccncc2)CC1 1760249673 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C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNC(=O)c2cccc(O)c2)C1 1508109616 UJYKULKIIGCSLS-HXUWFJFHSA-N 468.558 1.821 30 10 JDEE C#CCOc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)cc1 1526379643 DHFMKMCLRFZYIX-IBGZPJMESA-N 454.504 1.952 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1538973056 KROLPFAWKFAPSI-ACJLOTCBSA-N 453.362 1.715 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H]2COCCO2)c1 1539038497 PXLYOXHZANILSN-HXUWFJFHSA-N 489.536 1.787 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1539212712 RSPQOURCWZRTIH-IBGZPJMESA-N 474.583 1.512 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C(C)(C)C 1539325072 BBZAMOLAORPCHT-ZWKOTPCHSA-N 451.593 1.135 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539421775 XXGZEJWRVCTUTF-ICSRJNTNSA-N 492.671 1.924 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCn2cccn2)CC1 1539428573 TZVHHXYGGCQOKT-UHFFFAOYSA-N 466.977 1.904 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cnn(CC)c2)CC1 1539467732 YCSIWYQZVRIEHN-UHFFFAOYSA-N 454.579 1.427 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCOC)CC1 1539476892 HFDDLTHATLQVIS-UHFFFAOYSA-N 463.542 1.287 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CC=CCC2)CC1 1539488056 FPBXRRBJTLCYET-UHFFFAOYSA-N 473.581 1.956 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC1CCOCC1 1539516801 DFZUFTXVBQBPIS-GOSISDBHSA-N 471.649 1.230 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1539684709 BMGBIDQFMSRUAY-HNNXBMFYSA-N 485.058 1.736 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)N2CCC[C@@H](C)C2)C1 1540883164 VJFPPDCZUMALRL-YDZRNGNQSA-N 454.641 1.790 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCN(C)C(C)(C)C2)C1 1540884364 OEICIVQFGCRNNT-GBXCKJPGSA-N 462.639 1.738 30 10 JDEE CC(=O)N1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 1540954542 FEMJZQIPAGXCDD-HXUWFJFHSA-N 499.641 1.935 30 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30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1588064713 NSAUDTISSFWMHT-IBGZPJMESA-N 452.540 1.343 30 10 JDEE C=C(Cl)C[C@@H](NC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)C(=O)OCC 1588121803 HYXQSZMOCPZVSD-GOSISDBHSA-N 457.980 1.637 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(OC)c1 1588386312 OTZAEWFEBHRSDN-XLIONFOSSA-N 477.587 1.547 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1588646357 JDLXVHYKMVQORB-IBGZPJMESA-N 493.630 1.833 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCC(=O)N2)CC1 1588908149 LTTQRZVVXCHWEN-GOSISDBHSA-N 466.542 1.207 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@@]2(C)CN(C)C2=O)CC1 1588961644 HEGQOGUDLXTPBY-AREMUKBSSA-N 478.597 1.864 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N1CCOCC1 1595075184 APOLVZLDDPNFRF-LJQANCHMSA-N 489.598 1.240 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cccnn2)CC1 1595602548 NESAITOGHFSALU-YLJYHZDGSA-N 454.579 1.616 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1595811823 BYAJXECOVXGJAS-JOCHJYFZSA-N 471.587 1.350 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)c2ccc(I)cc2)CC1 1628147128 XKSZXUZUDLBZCC-HNNXBMFYSA-N 453.324 1.678 30 10 JDEE COc1ccccc1CN(CCO)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1632098805 FVETYGICDHDSBJ-UHFFFAOYSA-N 457.552 1.989 30 10 JDEE N#C[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc(OCC(=O)NC3CC3)cc2)CC1 1666202190 FKGQNTMHLLFLJQ-JOCHJYFZSA-N 454.552 1.915 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1689872005 LJPMKYKKRSZQHE-LJQANCHMSA-N 472.615 1.814 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1689996078 DNOAKUXYSYVKHK-GOSISDBHSA-N 472.546 1.713 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCc2ccccc2C1 1690019538 LEGPASWKFJXCOB-OFNKIYASSA-N 496.637 1.131 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC(OC)CC1 1690104013 KILXEFLKRXVXBR-SFHVURJKSA-N 467.636 1.156 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2nnn(C)n2)CC1 1690138031 QABPPRFVFLGZQD-HNNXBMFYSA-N 483.964 1.609 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2Cc3ccccc3C2)CC1 1690154967 BOTPUVLNAPRGOY-SFHVURJKSA-N 488.683 1.544 30 10 JDEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCNS(=O)(=O)CC)CC1 1690402430 BOOFNXRFQSOWCF-UHFFFAOYSA-N 496.659 1.537 30 10 JDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1690467488 YSLPJDMONNMVQC-PZJWPPBQSA-N 457.623 1.746 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cnn(C)c2)CC1 1690644397 IWLMUAGDTDCCFJ-SFHVURJKSA-N 458.567 1.833 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC)[C@@H](C)C1 1690669085 TVVZEDPFSGEHBG-INIZCTEOSA-N 460.608 1.071 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1690672939 IQBJXZUTSYUCQJ-GOSISDBHSA-N 464.526 1.637 30 10 JDEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1 1690827643 NKNQFQWGCVAYRM-NRFANRHFSA-N 454.531 1.593 30 10 JDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)CN1CCOCC1 1692739804 CFPPJGXCABOXFN-MSOLQXFVSA-N 460.604 1.654 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(OCCOC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705566608 OQMFPPWKOMKNNG-VQTJNVASSA-N 496.630 1.011 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccc(CN2CCCC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 1705568690 STXMBUXGNIFZMN-OAQYLSRUSA-N 485.610 1.612 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@]2(O)CCN(C)C2)CC1 1705633883 AXKLSHGSJRHGSH-NRFANRHFSA-N 477.382 1.669 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCC[C@H]2C)CC1 1705651427 WPTDADRDPXRJGO-MZNJEOGPSA-N 484.626 1.787 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2CN2CC[C@@H](O)C2)CC1 1705763063 NWGRGKHQRNMBPJ-GHTZIAJQSA-N 474.631 1.660 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1705895267 ZWYQEMRVAYUASH-QMHKHESXSA-N 488.976 1.548 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1705904844 AFARANUPYGVNCG-UHFFFAOYSA-N 451.575 1.795 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1705906450 FQIWNZNZOMTCSE-WIYYLYMNSA-N 470.574 1.325 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1705935760 CNCABZFKCNWCQH-OAHLLOKOSA-N 458.544 1.668 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1705936979 DNIJRQMRDUJQIC-ZBFHGGJFSA-N 466.589 1.169 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC(C)(C)C)nc1 1706889489 GASBYRFNESCKGA-HOCLYGCPSA-N 463.564 1.238 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@H]2C)CC1 1710329681 DXPSSIVPOYCEGP-NQIIRXRSSA-N 451.575 1.747 30 10 JDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1712318316 GZBGOFHNLCKNDH-QPPBQGQZSA-N 454.575 1.905 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC2(O)CC(OCC)C2)c1 1722310662 YMKMKIXWSLJAIV-UHFFFAOYSA-N 463.542 1.665 30 10 JDEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722316364 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RXJZCVOHSZWITR-UHFFFAOYSA-N 462.532 1.660 30 10 JDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(NS(=O)(=O)CC)CC1 1740589346 WFPSOXJPACVFCW-UHFFFAOYSA-N 497.625 1.996 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1740592326 VTDOUCHDGQFLAS-NJDAHSKKSA-N 490.674 1.411 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1740618434 HMJSRDAXMRMYOZ-SJLPKXTDSA-N 460.556 1.626 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CC[C@H](O)C1 1740656234 JABPXYCPDGZOIO-GOTSBHOMSA-N 481.622 1.258 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1740701121 VFNQCWACFOXZDZ-UHFFFAOYSA-N 494.600 1.524 30 10 JDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1740719107 ZCUXHILFZDJLHT-OAQYLSRUSA-N 474.675 1.919 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCC[C@@H](C)C1)C1CC1 1740910020 GMGUBTGTVMARBC-GGPKGHCWSA-N 466.652 1.886 30 10 JDEE 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C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(S(C)(=O)=O)cc2)C1 1749711929 DKOKRZWOMVZQNA-RBUKOAKNSA-N 494.639 1.608 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CC(F)(F)C2)C1 1749713613 VQESRVZNDWTKOP-JKSUJKDBSA-N 461.535 1.438 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCNC(=O)[C@H]1CC 1749723753 CJAVOAKVSWVVHL-CRAIPNDOSA-N 465.551 1.873 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC)[C@H](C)C1 1749730831 SDVKZFUIDBZFHQ-MRXNPFEDSA-N 471.587 1.725 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCCN(c2nccs2)CC1 1749731695 IOTXQWISSMBHOV-QGZVFWFLSA-N 466.633 1.946 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1749734268 HPWZVHYCOMMFCM-MJGOQNOKSA-N 498.602 1.498 30 10 JDEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1749949960 HAZZSEAQNSHTQQ-HFXUHXBXSA-N 454.531 1.374 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCN1CCCC1 1751220762 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C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCOC1=O 1300553609 LMQTYLBINLVTSA-HDICACEKSA-N 456.547 1.964 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nc3cc(Cl)ccc3s2)CC1 1300684287 ZGSUKFMMXVKZDB-CQSZACIVSA-N 494.046 1.955 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1300716717 PRCNCIUVRRWNKD-OAQYLSRUSA-N 493.656 1.946 30 10 JDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)c1ccccc1 1301002973 BYZHDIKZJVGHKS-QRQLOZEOSA-N 458.588 1.564 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1301019403 JGELYKPJCJCCIA-QGZVFWFLSA-N 492.989 1.868 30 10 JDEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)NCCOC)CC1 1301019450 LHYGUOKVCSOGKA-UHFFFAOYSA-N 486.802 1.673 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(N(C)C)c1 1301402947 JKSLGGRQTMXVOL-FQEVSTJZSA-N 460.604 1.904 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1301498467 OMVXHBSPPAKNFL-IRXDYDNUSA-N 462.913 1.902 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCc2ccccc21 1301589510 UDPMONYZRDJJKJ-IEBWSBKVSA-N 464.613 1.905 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1301596509 QLPNNFMHTMCASY-VGSWGCGISA-N 499.634 1.634 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCOCC2)CCO1 1301902327 HEKJCROYQRXFND-OAQYLSRUSA-N 467.574 1.269 30 10 JDEE CN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1314700897 HXWLJZYPALCFFH-SFHVURJKSA-N 456.503 1.934 30 10 JDEE C[S@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CCC1 1316365615 HASZOYKYYZMNKO-PMERELPUSA-N 463.585 1.265 30 10 JDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCCCS(C)(=O)=O 1358939841 HAVLWLLTSBMCTH-UHFFFAOYSA-N 466.633 1.831 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1358959415 ILXQKSSPPJSFMD-ICSRJNTNSA-N 473.599 1.301 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1358967337 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C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(OC)CCC(C)CC2)C1 1359321803 LYJGCXNNHKOFCM-YTCBPCPPSA-N 497.662 1.988 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccs2)C1 1359322139 QGJIJMXTZOTLKH-NVXWUHKLSA-N 453.590 1.502 30 10 JDEE C=CCn1c(S)nc2cc(C(=O)N3CCN(C(=O)C(=O)OC(C)(C)C)CC3)ccc2c1=O 1452715458 WLHIBYHKLRRCQW-UHFFFAOYSA-N 458.540 1.497 30 10 JDEE C#CCCN(CCOC)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1461785234 SXBKHSQRSBBRBM-UHFFFAOYSA-N 450.557 1.747 30 10 JDEE CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1F 1464288518 FDEYTBUGPQHYDH-UHFFFAOYSA-N 456.496 1.719 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1507512012 BRTUQOVZHRIAJT-MHORFTMASA-N 460.579 1.899 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC(=O)N2CCOCC2)c1 1507548518 AALJSWLAXUOTKN-UHFFFAOYSA-N 461.526 1.199 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1CCS(=O)(=O)CC1)[C@@H]1CCS(=O)(=O)C1 1507627241 CYCZIPVYFYQRGG-HXUWFJFHSA-N 487.607 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30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(NC(=O)C(C)C)CC1 1540872338 LPEFBHCAUGZAIG-UHFFFAOYSA-N 454.575 1.921 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1540876323 NVLHPZULPKRBSL-KSZLIROESA-N 487.605 1.900 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1540908333 FSOIPPPEDSZVGR-KRWDZBQOSA-N 451.524 1.312 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1552379972 GZRSWSBNFLEWNG-UHFFFAOYSA-N 487.630 1.839 30 10 JDEE CO[C@H]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1555135510 FMISKFXIFWIRBR-OALUTQOASA-N 452.563 1.825 30 10 JDEE C[C@H](CC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1566303821 FTMXXPYEMUPRQV-OAHLLOKOSA-N 456.524 1.194 30 10 JDEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1588034509 HLTAQJBVZWNWOP-YLJYHZDGSA-N 495.399 1.486 30 10 JDEE C#CCN(c1nnc(-c2cc(F)ccc2Br)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1588035708 XOJDUQFQKUZYNO-AWEZNQCLSA-N 483.363 1.998 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1588040723 POMABFIPRYYFHH-CEXWTWQISA-N 464.975 1.765 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCOC[C@H]1OC 1588595598 WQHXQPDHSARFCQ-AZUAARDMSA-N 462.572 1.486 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C2CC2)N(C)C)CC1 1588836131 GRKQRLBAVDCHNZ-LEWJYISDSA-N 487.649 1.682 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(OC)nc2)CC1 1588837456 UZLGTJSTLPVOHG-HXUWFJFHSA-N 497.600 1.794 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCSCC2)CC1 1588864862 KXTTVQTYJJBKOJ-UHFFFAOYSA-N 451.600 1.533 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1593696258 MJUPSZHJGBYOOL-UHFFFAOYSA-N 468.518 1.039 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)N(C)C 1595133319 DZKUOXCNHFCRDT-QGZVFWFLSA-N 450.540 1.452 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1595594758 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C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOc2ccccc21 1689853109 PJNIJTYJMFRBEA-ABSDTBQOSA-N 459.572 1.635 30 10 JDEE C#CCCCCn1c(-c2cnccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1689885532 LULDZDGJLFOTFB-DENIHFKCSA-N 450.591 1.918 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1689982147 ITRRLSXXMOEAPS-SIKLNZKXSA-N 476.603 1.151 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1CCNS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689991306 ZMLFYFWOPWVHBX-IBGZPJMESA-N 491.639 1.541 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(OC)CCCC2)CC1 1690137288 SOHQRZOCWGQXGG-UHFFFAOYSA-N 465.558 1.850 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2CCN(CC)CC2)CC1 1690150701 QRDQTFJCJIWGFZ-UHFFFAOYSA-N 498.701 1.627 30 10 JDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690165937 OMUJUYZKDKKGAM-UHFFFAOYSA-N 470.599 1.687 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(=O)NC(C)(C)C 1690171047 VJFWJKJFIWEBCL-UHFFFAOYSA-N 467.599 1.909 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCC[C@@H](C)C1 1690206361 OPOODTKLBZPPDZ-QTDGGUCWSA-N 478.663 1.724 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)[C@@H](C)CC)CC1 1690411187 HISPQJCWJXCMIZ-HKUYNNGSSA-N 454.641 1.744 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1690419836 CSFVQRAYKYKVNG-DZGCQCFKSA-N 453.569 1.760 30 10 JDEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1690465906 QXGVPZUKJKBNAT-UHFFFAOYSA-N 467.574 1.128 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC(C)CC1 1690597397 SHLJVOZNMXWAHJ-IBGZPJMESA-N 452.625 1.521 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1690659115 KERQIBWHINDELB-KRWDZBQOSA-N 478.500 1.898 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C1CCC2(CC1)OCCO2 1690662977 IDVYZQUHUQRWFJ-UHFFFAOYSA-N 489.598 1.773 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCc2ccccc21 1690671164 PYOISMINTUACKP-MOPGFXCFSA-N 474.587 1.037 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ccccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690678371 ULXVUUIUAHUVOF-QHCPKHFHSA-N 455.563 1.343 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1690723721 ZFPCYJGMNYFFFI-RDJZCZTQSA-N 478.550 1.412 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1690724419 OKLCGKGDUJCGAB-QUCCMNQESA-N 468.620 1.937 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N1CCSCC1 1690999305 GSWJPVNZNZPSMZ-MRXNPFEDSA-N 459.601 1.791 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H]1CCCN1CCCO 1692538675 FFLZPXXLEUYBCE-LJQANCHMSA-N 498.607 1.600 30 10 JDEE Cc1cnn(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)c1 1693305449 ARMQQPPPQPLFNC-UHFFFAOYSA-N 498.613 1.794 30 10 JDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1696477278 CEJCQSMQNFAGDO-IBGZPJMESA-N 499.641 1.384 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705566339 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C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1705931785 AHDFPZGUFAXSLB-LJQANCHMSA-N 460.604 1.490 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CCC(N)=O)CC1 1705933172 WXVBONNTJXOMGE-UHFFFAOYSA-N 489.598 1.799 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1705938983 OKWDPPGGVVXQQA-GOSISDBHSA-N 478.575 1.426 30 10 JDEE Cc1ccc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)C[C@H](C)C#N)c(=O)n1C 1707494230 GUYPGUDTRSNXOJ-MRXNPFEDSA-N 483.598 1.847 30 10 JDEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1709997682 HNCAALDQFOVLBR-AREMUKBSSA-N 494.644 1.264 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cc(OC)ccc1OC 1722297371 ZGDSGTHPIUSLLS-LAUBAEHRSA-N 491.614 1.719 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@H]2CCS(=O)(=O)C2)c1 1722307667 TUZVMFHXLPIVTF-HXUWFJFHSA-N 478.578 1.755 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1722362315 NBYQXVRIAHGLFM-GOSISDBHSA-N 467.580 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C#CCN(C(=O)NCC1CCN(S(C)(=O)=O)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1225614937 SIEWAVGEBZEXGK-UHFFFAOYSA-N 456.609 1.702 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(O)CCS(=O)(=O)CC1 1286379899 DZHQQXXRCSVZMM-INIZCTEOSA-N 467.592 1.359 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286383547 XRSPUHPAQLLCDU-IPMKNSEASA-N 486.598 1.757 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1286392252 IEAUQNQLPIPDPJ-VJANTYMQSA-N 452.577 1.198 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1286396987 ZUMPGLJSFFMXMW-MSOLQXFVSA-N 450.536 1.489 30 10 JDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCN(C)C(C)(C)C1 1286415956 OBGZMVRIHXYWCO-UHFFFAOYSA-N 453.616 1.368 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCC(C)CC1 1286432013 VSCWNVUKLMXEQU-LRZVDXDASA-N 477.631 1.669 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CS(C)(=O)=O)c1 1286446408 FTHSZAODWUJQJJ-GOSISDBHSA-N 450.586 1.233 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ccc(C(N)=O)nc2)CC1 1286474277 GPNHVKXOOJFATE-UHFFFAOYSA-N 461.526 1.260 30 10 JDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 1286683661 WWUUJAWXFKEQOF-QGZVFWFLSA-N 458.592 1.838 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1Cc1ccccc1 1286726887 KAMLTGPWKYYSQT-NHCUHLMSSA-N 474.631 1.898 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1 1286741277 FPTHEJJNJLUEQG-NRFANRHFSA-N 496.597 1.457 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1286785499 MHBTUOIDIJQHLN-UHFFFAOYSA-N 465.562 1.410 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1300483935 PNTLVIKSMHITMA-ZWKOTPCHSA-N 463.516 1.141 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1300700644 UBHREEFNWPHIBD-NHCUHLMSSA-N 457.623 1.218 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1300710518 DPDQQCSTNMCOPN-UXHICEINSA-N 456.591 1.541 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1300824769 WLRNXMYZTCPCOC-UHFFFAOYSA-N 482.383 1.626 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)nc1 1300916263 VRUMCROLFMRDKJ-SFHVURJKSA-N 463.608 1.523 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1301258031 JOPKKIIJZDUKIA-QRVBRYPASA-N 469.608 1.209 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1301509602 JNUDMPDVUAKGDX-GOSISDBHSA-N 456.595 1.573 30 10 JDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(S(C)(=O)=O)CC1 1358933991 LSKDRRBQKQVAMO-UHFFFAOYSA-N 450.590 1.155 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1358955451 MFKYEEBSPNSHTD-MOPGFXCFSA-N 465.620 1.782 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1358956484 GLGMHMHZUCKMPR-DPLHUUCSSA-N 493.674 1.677 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCN(C)C(C)(C)C1 1358987962 YIFYLQVCLRLBQT-UHFFFAOYSA-N 482.654 1.838 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cnc2ccccc21 1359010024 DPKKIIINKQKNAH-LJQANCHMSA-N 457.560 1.120 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H]1CC 1359025761 XXWMSVTZIRYCAL-QRVBRYPASA-N 453.609 1.523 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[C@@H]2COCCO2)CC1 1359031009 NGGJIIBCLXSMTH-QGZVFWFLSA-N 463.380 1.607 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC(=O)N2CCCCCC2)CC1 1359038461 XGGJOPJFQKIACX-UHFFFAOYSA-N 483.642 1.818 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1359049446 PNFMYOZXIXKDMQ-GOSISDBHSA-N 490.655 1.607 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1359127140 JKDDMHJSULTLSC-DLBZAZTESA-N 486.639 1.975 30 10 JDEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359133109 LTBWMJXAODMUPF-QZTJIDSGSA-N 499.634 1.803 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1359334162 VSFMYALGQJQDSH-MRXNPFEDSA-N 480.660 1.928 30 10 JDEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359336502 RTEVQAVVUMCTOQ-UHFFFAOYSA-N 463.608 1.636 30 10 JDEE C=CCSCCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1359346745 UQOGMDVTXSORSS-NRFANRHFSA-N 461.592 1.436 30 10 JDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(Cc3nc(N)c4ccccc4n3)CC2)CC1 1459742310 CQPQLNTUNNWLPV-OAQYLSRUSA-N 450.591 1.022 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(C(N)=O)CCOCC1 1507516661 CVTICDCDNFQDSN-OAHLLOKOSA-N 473.603 1.287 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(OCC)cc2C1 1507587855 BBYFYTDEMJPNAB-NRFANRHFSA-N 473.599 1.986 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1507630032 YNIYLVGDLMUZPY-BEFAXECRSA-N 468.004 1.488 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507632002 WHVYVYXXHATEIT-ZZQXMTQJSA-N 495.627 1.180 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)Cc2cccs2)CC1 1507735561 CGCXSOWDDOQWKD-IRXDYDNUSA-N 492.671 1.794 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1507830564 IFLYCAABMAJZDE-CQSZACIVSA-N 484.520 1.210 30 10 JDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1507850933 WLMAZJSVCUNGBP-QGZVFWFLSA-N 464.014 1.836 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1508012105 BPEDVQKJBFGECH-CEXWTWQISA-N 456.595 1.142 30 10 JDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1508070910 GHCKWYSRPGCDKO-ADHGMGHFSA-N 497.618 1.315 30 10 JDEE C=CCN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)[C@@H](Cc1ccccc1)C(=O)OCC 1516154030 AJRDAXHAPJBBCI-IBGZPJMESA-N 450.495 1.435 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCCC3)n2CCNS(=O)(=O)Cc2ccon2)cc1 1521101627 FSZVEXCABVOGIJ-UHFFFAOYSA-N 457.516 1.437 30 10 JDEE C=CCn1c(SCC(=O)NCC2CN(S(C)(=O)=O)C2)nnc1-c1ccc(Cl)cc1 1524176686 VPRUNUDCMWWJNW-UHFFFAOYSA-N 455.993 1.884 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1539072248 NXZNIVAFLXRANP-RBUKOAKNSA-N 480.635 1.156 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1539230125 KJDXKDQDAPDMSX-HTAPYJJXSA-N 491.639 1.711 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)CC=C 1539315501 OYLJFKVUEWKAKY-UHFFFAOYSA-N 478.578 1.739 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC(C)C)nc2)CC1 1539488548 LQRHJVVCZVJFOU-UHFFFAOYSA-N 479.585 1.597 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)NCCCC)CC1 1539704484 DHEZNIHRRCYSBA-GOSISDBHSA-N 468.624 1.320 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1540861955 MWKQOMSWNULOGT-KRWDZBQOSA-N 469.546 1.250 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1540862380 AJNOBJFXYKKLRM-AOMKIAJQSA-N 477.562 1.874 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCS(=O)(=O)CC1 1540865912 WLNOBTRQLACROZ-UHFFFAOYSA-N 460.379 1.306 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1540874860 UKVIKTVLNRRAPK-UHFFFAOYSA-N 463.542 1.433 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(CC(C)C)C(=O)[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1540876693 YMBTXTPHMCGKKJ-FDDCHVKYSA-N 462.595 1.314 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)COC)CC1 1540880568 KKYHTEPJRLPAMG-LJQANCHMSA-N 489.598 1.088 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCS(=O)CC1 1540901404 CDICATAAYGBHSS-UHFFFAOYSA-N 460.585 1.300 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)O[C@H](C)C1 1540902579 MIUFMWAOVWXMJC-QZTJIDSGSA-N 475.619 1.667 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@@H]1C 1540903758 HMBORGHIPGQBBB-IRXDYDNUSA-N 485.607 1.412 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@H](C3CC3)C2)nnc1[C@]1(OCC)CCOC1 1540908632 KKBPVCDDJLRUED-MDKPJZGXSA-N 454.593 1.535 30 10 JDEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1555519310 COQZDGIFGKKEPW-UHFFFAOYSA-N 461.574 1.902 30 10 JDEE COCCN1C[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@H](C)CC#N)CC1=O 1555573313 AMMMUUCDFHFFMI-IAGOWNOFSA-N 474.587 1.582 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CC(=O)NCC=C)c1 1587697484 QVEQTGRNNKRNBA-UHFFFAOYSA-N 460.542 1.498 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1587697545 SGIQFCSSQPFCEU-FQEVSTJZSA-N 486.536 1.308 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(OC)c(C)cc2C1 1587862332 VAKNVLHECGZWFG-OAQYLSRUSA-N 473.599 1.904 30 10 JDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1587921792 JMHCJJVKDGSUTD-YDHSSHFGSA-N 459.570 1.734 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1588029981 NLXNWWUHIDJHNK-IBGZPJMESA-N 478.663 1.698 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1588050312 RBRARFFUWWNRSI-GOSISDBHSA-N 453.572 1.674 30 10 JDEE 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COc1ccc(-n2c(=C(C#N)C(=O)Nc3ccccn3)sc(=Cc3cnn4ccccc34)c2=O)cn1 729672368 KMEZJDRQIBHEBN-UHFFFAOYSA-N 495.524 1.487 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 917409290 WYHHPKMCVBVYEU-UHFFFAOYSA-N 480.587 1.302 30 10 JDEE CC(=O)O[C@H]1[C@H]2[C@](C)(O)C(=O)C=C[C@]2(C)[C@H](OC(C)=O)CCC(C)=C[C@@H]2OC(=O)[C@H](C)[C@]21O 936069725 RVHOXFYBIJIBSC-NMCAEGEVSA-N 464.511 1.395 30 10 JDEE in-vitro C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3cc(OC)cc(OC)c3)CC2)cc1 1137247985 BKXZIESHKBNNKE-UHFFFAOYSA-N 457.552 1.573 30 10 JDEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)N3CCN(c4ccc(C#N)cc4)CC3)cn2)C[C@@H](C)O1 1201453896 BCYNVEVRBHOUCX-HDICACEKSA-N 451.531 1.745 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(-c2ccco2)n1 1286295733 KMBRYZJRDAQWTE-RHSMWYFYSA-N 476.584 1.834 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1286384112 PLIQMLNPXCFJKE-QGZVFWFLSA-N 474.564 1.617 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1286385749 OXHNJLODMHVZDD-FUHWJXTLSA-N 473.534 1.476 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(CN(CC)CC)cc2)CC1 1286481173 SMHIMYQKSWFHMS-QHCPKHFHSA-N 484.670 1.826 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)NCC)CC1 1286783246 ICRREXKZETYBRB-UHFFFAOYSA-N 457.535 1.116 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H](C(N)=O)C1 1286784258 ZRSVSCNKMUIKEF-LBPRGKRZSA-N 465.327 1.851 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](COC)C1 1286789981 AVNZRHIETPFXCF-ROUUACIJSA-N 478.594 1.752 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2ncc(C)s2)CC1 1286819536 NJKJVCPEWHCRTA-INIZCTEOSA-N 464.617 1.979 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1286820286 ITXNINLEOJTJRM-ROUUACIJSA-N 451.593 1.712 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1286822236 BFYBXLSKNWUXFO-JPYJTQIMSA-N 492.598 1.851 30 10 JDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1291831197 AZEAWYKVOQKUSM-SFHVURJKSA-N 487.630 1.288 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](CC)c2cccc(S(N)(=O)=O)c2)ccc1F 1296602454 IUDRAJBCUVBIFC-KRWDZBQOSA-N 455.533 1.819 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCCN2CCOCC2)CC1 1300729092 MWWWGJWPVJPHLD-UHFFFAOYSA-N 485.658 1.712 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1300890397 GMLVYRIOMZDCHH-CTNGQTDRSA-N 477.635 1.593 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300892631 UULHKVSCDFQFRG-IFMALSPDSA-N 491.662 1.887 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1300935062 HIODMGJZRBXZMS-UHFFFAOYSA-N 469.571 1.428 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1300952109 LDDUHKDOPDMCBI-HXUWFJFHSA-N 494.593 1.661 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)COC1 1301340118 VMBMWPINERJJNI-FQEVSTJZSA-N 486.598 1.712 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(Cc2csc(C)n2)CC1 1301506070 GNYLHMVSTIYHQN-UHFFFAOYSA-N 452.588 1.653 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1301513867 BACZYEXCJCLNKF-UHFFFAOYSA-N 461.588 1.871 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1301567205 VUMOOMLMOOWCCI-OFNKIYASSA-N 476.599 1.805 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1301585748 NUVYXSBRWFDKTO-HYVNUMGLSA-N 465.601 1.858 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1301589120 NVSRVKDITJCZNB-QFBILLFUSA-N 491.570 1.668 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2ccco2)C1 1301593949 YOJPZWWEYUOBCB-LJQANCHMSA-N 460.560 1.911 30 10 JDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CC1 1309228168 JSJRJIZIFCOKBN-UHFFFAOYSA-N 453.870 1.684 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(OC)cc2)c1 1357414244 UEKPKZBFZPISQG-UHFFFAOYSA-N 452.554 1.851 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1358956378 DXZWTUKIXGXIQQ-MXBUBSDBSA-N 480.631 1.618 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC)[C@H]1CCS(=O)(=O)C1 1358957770 ADWFXBXYPARTQB-KRWDZBQOSA-N 465.601 1.232 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1358965076 NJRJRENRPGAUNF-IBGZPJMESA-N 475.640 1.803 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358966518 QYNRULUCMMMANX-GOSISDBHSA-N 491.639 1.713 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1358967617 NZROSGWQHPOCJI-UYAOXDASSA-N 495.001 1.943 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCOCCCC)CC1 1359044163 XOZOMUHAGYBEDZ-UHFFFAOYSA-N 456.547 1.788 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCCCS(C)(=O)=O)CC1 1359045092 WRVVVTYRLPJYOT-LJQANCHMSA-N 465.620 1.700 30 10 JDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1359052721 OBLQKSACBACQKQ-GOSISDBHSA-N 465.587 1.782 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)(C)C)C1 1359227870 OGABCHBVIXSFSM-MSOLQXFVSA-N 471.624 1.455 30 10 JDEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1359228076 TTWLVYQVRPODDN-UHFFFAOYSA-N 496.612 1.277 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sc(C)nc1C 1359282004 OSNUMKWTIHWJBK-MRXNPFEDSA-N 470.621 1.371 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1359296822 VRUGJRVABWRCQW-UHFFFAOYSA-N 450.547 1.749 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359305836 OKTFZRSRDQNOMT-RYQLBKOJSA-N 475.594 1.408 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)N2CCSCC2)C1 1360780452 IEZOXVXIPJHSMD-HXUWFJFHSA-N 481.648 1.023 30 10 JDEE C=CCOC[C@@H](NC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)C(=O)OC 1448500337 WUBZRUBMVFZEHR-CQSZACIVSA-N 451.328 1.908 30 10 JDEE C=CCN1CC[C@H](N(C)C(=O)c2sccc2S(=O)(=O)N2CCCC[C@@H]2CCO)C1=O 1467532109 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1300823327 CPJCBZMQWRDHKF-UHFFFAOYSA-N 477.429 1.577 30 10 JDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1300925812 DSYQKMHQOWYOMV-UHFFFAOYSA-N 478.623 1.325 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1301484204 DBMBZKCDDYGHHQ-UHFFFAOYSA-N 490.406 1.220 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1301496601 DNFOCCSUBFOXPR-OYRHEFFESA-N 466.634 1.946 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1301585725 NQPAEOKPYMFOMB-INIZCTEOSA-N 479.632 1.230 30 10 JDEE C#CCC1(O)CCN(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)CC1 1310454965 CBHDEELIKNDHRF-UHFFFAOYSA-N 450.561 1.156 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC1 1311971376 RCBPVZDDZAAALZ-INIZCTEOSA-N 459.494 1.079 30 10 JDEE CC[C@H](C)[C@@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)NCCN1CCOCC1 1356422859 DFOLKODQGWNRCM-LRXVAGHRSA-N 459.566 1.503 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(CC)C2)c1 1358901266 FLLRYRABHMXTOO-PKOBYXMFSA-N 487.630 1.286 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCCS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358960757 LALPLRGRKLGATJ-HXUWFJFHSA-N 499.618 1.831 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1358964574 BNSHKUPIZNBBGZ-NRFANRHFSA-N 483.642 1.874 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)N1CCN(CC)CC1 1358978616 QMBFNKMVAIOWOE-QFIPXVFZSA-N 475.645 1.551 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(OCC(N)=O)c1 1359010444 PZEKXFDLQXWPNS-FQEVSTJZSA-N 498.584 1.958 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1359301293 WFMWYXGFIZPQAA-IBGZPJMESA-N 452.559 1.825 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1359301294 WFMWYXGFIZPQAA-LJQANCHMSA-N 452.559 1.825 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCOC2(CCOCC2)C1 1359335489 MWBYXRFUIJJIMR-UHFFFAOYSA-N 492.598 1.852 30 10 JDEE C#CCN(CC(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C 1452206465 RSSAMIJUCLJMRJ-UHFFFAOYSA-N 454.505 1.202 30 10 JDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1493168367 DKVJOBWJKCQHDV-RXVVDRJESA-N 478.601 1.426 30 10 JDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1499306761 FDFWYCJIHZUFFO-NHCUHLMSSA-N 478.601 1.474 30 10 JDEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 1502339787 BZEVCZBSHNXXMG-DENIHFKCSA-N 480.617 1.042 30 10 JDEE CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1504026719 DTBXICBPIAFHCU-VWLOTQADSA-N 481.601 1.898 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](OC)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1507622137 GHVBLDOQSIMHNW-BZSNNMDCSA-N 474.587 1.613 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1507623844 YCTHXJMROUOCLS-HNNXBMFYSA-N 471.568 1.365 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1507628548 XFBWYHYLVGGWAB-DYESRHJHSA-N 464.613 1.975 30 10 JDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507677724 HXSDEDBPYRRGCI-MJGOQNOKSA-N 464.636 1.860 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCCOC)CC1 1507730539 SJQSVZGECOYQIS-LJQANCHMSA-N 462.595 1.768 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1507933763 BASJJXHZBADMMS-SQNIBIBYSA-N 466.608 1.215 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1c(F)cccc1F)N(C)C 1507983248 POXUFMHKSRWQQW-MSOLQXFVSA-N 484.573 1.814 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1508074345 PZVSCPKASZOFPZ-CQSZACIVSA-N 453.952 1.533 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](CC)C1 1508087905 QSEADJILRFTCQL-JKSUJKDBSA-N 451.531 1.498 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(C)(C)OC[C@@H]1C 1508091199 MJTQRTIRPJPKIA-IRXDYDNUSA-N 478.594 1.892 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1508140606 JBBTTZREHKRPGM-UHFFFAOYSA-N 458.592 1.387 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCN(c2ccccc2)CC1 1538970167 AJECWXYGCSPLKD-VQTJNVASSA-N 473.647 1.559 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1539206041 MCAJKLCGHKOZRZ-INIZCTEOSA-N 492.403 1.868 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539218984 ARZSUKVXINFTAY-HZPDHXFCSA-N 494.618 1.159 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539223953 AIRXCLOWIZLJSQ-PZJWPPBQSA-N 456.616 1.623 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(COC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1539224025 BTVMHRJZYPLEII-FQEVSTJZSA-N 473.599 1.334 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(SC)CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 1539224346 FPQVZCJQCDAQEM-HXUWFJFHSA-N 488.683 1.718 30 10 JDEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(O)CCS(=O)(=O)CC1 1539362106 PDGBROJZPZYOFJ-UHFFFAOYSA-N 455.540 1.999 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1539391604 GBLFRJCQOHIGPH-GOSISDBHSA-N 490.586 1.895 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccs2)N(C)C)CC1 1539447912 YUHWZMJAKYJVPA-MSOLQXFVSA-N 462.645 1.300 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1539728061 CCZKWCCCNJSZGC-QHCPKHFHSA-N 488.614 1.647 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(NC(=O)OC)c1 1540070914 BBKABKFLVHMDBD-QGZVFWFLSA-N 464.548 1.460 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3O[C@H]3CCOC3)CC2)cc1 1540728442 HQLCZBUMXNIZGL-FQEVSTJZSA-N 455.536 1.802 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1540858054 DYEGJOTZALBTFV-FQEVSTJZSA-N 460.604 1.428 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCS(C)(=O)=O)C1CC1 1540858324 QRLDIUOMNSKOGL-INIZCTEOSA-N 455.581 1.786 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC2(CC1)CNC(=O)C2 1540862560 DWROFAZFUHANGX-INIZCTEOSA-N 456.522 1.966 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1540872414 PAEDIQUOZRFIED-UHFFFAOYSA-N 467.621 1.055 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC2(CC1)CNC(=O)C2 1540875362 JLVDXXGXHKQNPT-UHFFFAOYSA-N 454.531 1.274 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(O)cc2)CC1 1540877130 LQHNBSBAQHZEKZ-UWJYYQICSA-N 456.547 1.337 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1540899456 PHSCOMLNCZKYOB-UHFFFAOYSA-N 465.539 1.074 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1540904125 JFIVQHGCEBRHQR-LJQANCHMSA-N 466.589 1.266 30 10 JDEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 1547699786 FELGYEQZLAASGL-OALUTQOASA-N 452.607 1.661 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1587692996 OELDJXGRCNOHIS-XXBNENTESA-N 487.582 1.126 30 10 JDEE C#CCCCn1c(N2CCCN(CC(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1587894194 PSXULFPDPGFTTE-DEOSSOPVSA-N 458.607 1.478 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCO[C@@H]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588054006 JRLUJPMPWBCVLD-UAFMIMERSA-N 498.671 1.402 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCCC2=O)c1 1588646089 GRKHVXRTJIHIOQ-LJQANCHMSA-N 471.583 1.441 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1588812208 QPMDODOTPPAYML-GOSISDBHSA-N 460.579 1.221 30 10 JDEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1589096612 FYSWGBDVUDXWQB-SFHVURJKSA-N 477.656 1.908 30 10 JDEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1593736162 XLTOIOTWLBCYAQ-UHFFFAOYSA-N 471.587 1.805 30 10 JDEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CC)C1)c1ccccc1 1593788834 DHDMGESVLMHCKQ-PMACEKPBSA-N 461.588 1.940 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccccc1Cl 1595551776 UXTGBTZLJJYAAJ-HNNXBMFYSA-N 467.979 1.651 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1595805505 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C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507630715 GFLWNNSKMOJYAP-LBPRGKRZSA-N 466.445 1.783 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OCC=C)cc1)[C@@H]1CCS(=O)(=O)C1 1507632160 XUFSEEYUTUGFGT-HXUWFJFHSA-N 466.567 1.918 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1507632849 QFFXGAASOFEDTI-OALUTQOASA-N 492.623 1.251 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)N(C)C2CCCCC2)CC1 1507718573 QODCQWGEUYTRFT-UHFFFAOYSA-N 498.653 1.895 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1507728305 XIKMEQQAVGJYSF-SFHVURJKSA-N 459.595 1.317 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2csc(CC)n2)CC1 1507825112 QAFCBJXAPNHWAO-OAHLLOKOSA-N 453.638 1.806 30 10 JDEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1539071327 SNGZEQGROFLVRS-OALUTQOASA-N 487.605 1.946 30 10 JDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1539084738 BSHLKVXOAVTSDJ-TZIWHRDSSA-N 455.607 1.306 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1539206654 UDBPDRDBISLUMZ-XMSQKQJNSA-N 466.604 1.251 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1539212667 XAPHDPNLKGKRRG-LAUBAEHRSA-N 457.581 1.936 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539224239 DJGNZHJXXXKCKH-NRFANRHFSA-N 471.627 1.990 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1cc(C)cn1 1539384967 QYPHOQDLSUCRLN-QGZVFWFLSA-N 459.551 1.872 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2C[C@H]2C)CC1 1539469433 AHQXLYBHJBEJPC-VQIMIIECSA-N 455.584 1.970 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)C 1540135854 BZMKNUNJWPDOPH-GOSISDBHSA-N 480.566 1.031 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1540858094 GQCBURMVUCVULW-IBGZPJMESA-N 490.605 1.848 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1540867009 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CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1617304596 GVUYCTFMLHZMKP-UHFFFAOYSA-N 489.577 1.286 30 10 JDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1(CS(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1617779797 DULQJLQYIIHCFM-KRWDZBQOSA-N 493.611 1.177 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)c1 1631234680 YOKXKUGFXFKIQH-QGZVFWFLSA-N 452.941 1.852 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@](C)(Cn2cnc3ccccc32)C(=O)OC)c1 1645543946 FNGOVOYTQMDEPX-JOCHJYFZSA-N 454.508 1.310 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H]3CCN(C(=O)NCC)C3)nnc12 1650858194 FDOZYXMRJIMZBL-AWEZNQCLSA-N 455.544 1.242 30 10 JDEE C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1=O 1654599886 FIPLYTUKXKWGOR-QRWLVFNGSA-N 458.515 1.844 30 10 JDEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCOCC3)c2)C1 1667076721 XOETZFYCOMALEK-SFHVURJKSA-N 450.561 1.325 30 10 JDEE C=CCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3cc(C(=O)OC)cs3)CC2)CC1 1678391756 VGULYDOJMLQYCX-UHFFFAOYSA-N 456.590 1.201 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCOC[C@@H]1OC 1689836143 ZBFCBXGZYGRRFS-HQRMLTQVSA-N 461.588 1.705 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689986217 LBXJBWIKDPRSLO-SFHVURJKSA-N 456.572 1.369 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1689991744 BSWKKSFYGIBYHO-RTWAWAEBSA-N 476.574 1.830 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1689997143 WRGCDXXJCBPWHS-MJGOQNOKSA-N 456.572 1.306 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1690013654 XWAFBEXLZQQIHI-CMKODMSKSA-N 463.542 1.832 30 10 JDEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1CC1(C(N)=O)CCOCC1 1690027950 FFBDKDUHIJRNDU-UHFFFAOYSA-N 453.568 1.934 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCOC)cc1 1690046532 DBPVNDOKHNBAHW-FQEVSTJZSA-N 456.568 1.717 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)CC=C 1690091200 LOSQDOZYZUEZSB-GOSISDBHSA-N 480.587 1.560 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1690102483 LUPLCVKSGHRZDE-KRWDZBQOSA-N 458.567 1.655 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCCn2cc(CO)nn2)CC1 1690140049 KBSUDKFDNISFTM-UHFFFAOYSA-N 462.558 1.393 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690421238 ZMNVUELXPAXRIO-DLBZAZTESA-N 468.624 1.318 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1690497391 OTUVRGRTNWBVQX-UHFFFAOYSA-N 459.595 1.835 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CN(C)C1=O 1690604002 MNLPWBFDPQMPQS-XXBNENTESA-N 457.600 1.894 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690675146 QCSVUQURYDFQAK-UHFFFAOYSA-N 476.603 1.294 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2nccnc2C)CC1 1690717642 MASMDFOCYOJOMY-UHFFFAOYSA-N 483.598 1.980 30 10 JDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1690729497 OCEVVHJAEJBVKW-JKSUJKDBSA-N 457.597 1.765 30 10 JDEE CC(=O)N1CCN(CCn2c([C@H]3CCCOC3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1690869865 UBYVQHISOHTNHL-QFIPXVFZSA-N 451.575 1.844 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CCSC2)c1 1705507979 OBVUTAVWCCJHGO-NSXLHWASSA-N 485.610 1.926 30 10 JDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1705559630 DLUPKRGJQSOYCE-GOSISDBHSA-N 461.975 1.898 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CCNC(=O)c1cc[nH]n1)[C@@H]1CCS(=O)(=O)C1 1705565386 UIZOZQWGFSVUJJ-QGZVFWFLSA-N 467.555 1.033 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1705568353 LWQOEINLQXKGEL-FQEVSTJZSA-N 493.593 1.754 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(O)CCS(=O)(=O)CC1 1705606047 IYXDXULMKCYYGP-UHFFFAOYSA-N 454.499 1.946 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1705634269 PPNLRTWNLQJXSK-FQEVSTJZSA-N 496.612 1.985 30 10 JDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705662704 HSLVXUSSAMEPJV-SFHVURJKSA-N 458.613 1.896 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705693476 HASLBEFLIHIRID-AZUAARDMSA-N 472.594 1.801 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)CC1 1705708439 CJERGLKBPJGGJQ-YLJYHZDGSA-N 458.588 1.919 30 10 JDEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705890346 KWCJTNHYTNDSKM-QGZVFWFLSA-N 487.605 1.506 30 10 JDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1705890776 IHECNDZLYLOTGB-CQSZACIVSA-N 451.499 1.607 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1705905794 HKGJFDPLTKCZHK-IFMALSPDSA-N 494.644 1.383 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cc1 1705911735 ORIKLCOHFLZBJH-YLJYHZDGSA-N 474.587 1.820 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCn2nc(C)nc2C1 1705938105 MXSRXYURODIXMV-UHFFFAOYSA-N 471.587 1.940 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCS(C)(=O)=O 1722302472 SFQLSMOZVPIOGH-FQEVSTJZSA-N 458.632 1.535 30 10 JDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1722342286 VZKCXUMCNGQSEQ-UNMCSNQZSA-N 458.607 1.550 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(Cl)cc1OC)[C@H]1CCS(=O)(=O)C1 1722368803 SWYARAXPWDHFIQ-DLBZAZTESA-N 477.974 1.566 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(Cl)cc1OC)[C@@H]1CCS(=O)(=O)C1 1722368804 SWYARAXPWDHFIQ-IAGOWNOFSA-N 477.974 1.566 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722372050 OMEJOTNXUCDKSW-HNNXBMFYSA-N 453.446 1.918 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1722372149 QHPZMGDSULEYMR-WZONZLPQSA-N 471.583 1.005 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722391597 PVRAVBNYRFICOH-SIKLNZKXSA-N 463.604 1.063 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccc(N(C)C)cc2)CC1 1722432577 BGFVCONNGSDWAZ-VWLOTQADSA-N 452.603 1.994 30 10 JDEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1722534376 OYFNXZSACUCZBK-UHFFFAOYSA-N 488.614 1.031 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1722566076 JEYSVTDIBBDLOZ-WOJBJXKFSA-N 450.653 1.610 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1722618409 QVFSXNVPBRCHEF-NRFANRHFSA-N 486.642 1.585 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1722702519 MAAYPUPREAQVFK-GMAHTHKFSA-N 479.585 1.498 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(C)=O)C1 1722707357 MXWYOGAFYYUWGU-PMACEKPBSA-N 473.599 1.898 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(=O)N2CCOCC2)C1 1722713247 CBSSLCYNNQLUIB-INIZCTEOSA-N 479.379 1.686 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(=O)Nc1ccc(F)cc1 1723939916 ABPZXLLCFVEYMC-XOBRGWDASA-N 463.539 1.796 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1Cc1nccs1 1723951551 COGNZVKBAOPOPQ-AWEZNQCLSA-N 490.590 1.730 30 10 JDEE CCN1CCCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1728583785 HHOJZFSADFIJNB-UXHICEINSA-N 487.630 1.799 30 10 JDEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)N(C)C 1729999239 GFMSGXDTPHDWHP-AWEZNQCLSA-N 454.940 1.227 30 10 JDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)C1 1730995921 BSUFCGPNLOVVPF-GOSISDBHSA-N 468.539 1.853 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C)cc1OC)[C@H]1CCS(=O)(=O)C1 1740615447 FBIKHAQHCDBECU-IBGZPJMESA-N 494.577 1.917 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1740618509 IRDGURAHGSFZNA-INIZCTEOSA-N 481.525 1.698 30 10 JDEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1740626793 CNGXWRIWPCLDTI-VGOFRKELSA-N 492.623 1.357 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](OC)C(F)(F)F 1740655409 BAABQGGTTDFWOL-CVEARBPZSA-N 477.509 1.041 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2ccccc12 1740656594 LUDMSYIWFWSULR-QFIPXVFZSA-N 480.594 1.798 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)N(C)Cc2ccccc2)CC1 1740690569 KLJBLEMNEYCLHE-WOJBJXKFSA-N 473.647 1.164 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2c(CC)nn(C)c2CC)CC1 1740692182 FQAWZTHNXNSHIB-VWLOTQADSA-N 469.634 1.981 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(CS(C)(=O)=O)CC2)CC1 1740693345 YUQYWFZCJMCZKC-UHFFFAOYSA-N 473.599 1.542 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1740703869 CJZRVAAZAMSWAD-UHFFFAOYSA-N 493.593 1.294 30 10 JDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)NC)CC1 1740715131 DSEYHQISIGNUGM-UHFFFAOYSA-N 476.632 1.066 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1740717119 KGNIYYZSSXFONY-SFHVURJKSA-N 490.655 1.667 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccnn2)CC1 1740745547 XZCSBOHEWBKRRT-AWEZNQCLSA-N 468.381 1.205 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCS[C@@H](C)[C@@H]1C 1740953822 RWCAUTLYYMOQPX-HOTGVXAUSA-N 478.644 1.828 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CCOC)[C@@H](C)C1 1740988875 RYWXFFSBIVFUBC-KRWDZBQOSA-N 477.587 1.432 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1740991517 YFMYYPDFVMLFQP-SFHVURJKSA-N 474.587 1.522 30 10 JDEE CC(C)(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)C1CC1 1741247236 DCGARRBZFGRFSL-OXJNMPFZSA-N 454.572 1.879 30 10 JDEE CC[C@H](C)[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1743471999 AJXCDGLOSHPGGT-XDHUDOTRSA-N 483.621 1.551 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCn1ccnc1C 1744086042 AHPIXZQQRXUHDI-UHFFFAOYSA-N 476.589 1.995 30 10 JDEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1745850458 BNSZFJAAYXOPJW-UHFFFAOYSA-N 469.575 1.292 30 10 JDEE CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1748481107 FOVNANXHRMTUQR-XZOQPEGZSA-N 489.598 1.674 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1748717660 FNNZJRANGIVPRP-RTBURBONSA-N 465.620 1.546 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(C(C)(C)O)cc1)[C@H]1CCS(=O)(=O)C1 1748812188 RSZYKUMRIVXCCX-FQEVSTJZSA-N 468.583 1.581 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1748999975 IVNGGHIJHIUGNR-OAQYLSRUSA-N 466.586 1.879 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC2(O)CCOCC2)CC1 1749005902 AIYUZPRDEJPAEG-UHFFFAOYSA-N 497.596 1.860 30 10 JDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1749223107 PRDNNTALPWKTTN-HXUWFJFHSA-N 490.630 1.872 30 10 JDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749604388 PIRIZNFIRDHMDH-UHFFFAOYSA-N 459.982 1.694 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccccc1N1CCOCC1 1749650174 MIHYYCQHWIMRNS-UHFFFAOYSA-N 490.568 1.701 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCCS1(=O)=O 1760110956 VBNBZHWVGWHUEB-HOTGVXAUSA-N 464.617 1.663 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1760180767 KTPBIJCVXJJYIH-FUHWJXTLSA-N 477.562 1.662 30 10 JDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1760187528 WPUQZZJVZPSXHA-BXWFABGCSA-N 464.519 1.402 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1CC1(NC(=O)OC(C)(C)C)COC1)[C@H]1CCS(=O)(=O)C1 1760188856 QMWOJWGPSJIZMJ-SFHVURJKSA-N 493.630 1.856 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1760189125 NVYKJQXZLWCWCH-ZIAGYGMSSA-N 451.574 1.384 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C(C)C)N1CCOCC1 1760197195 RUHSZSSWGIMVOC-HSZRJFAPSA-N 498.653 1.625 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(COCC)cc1 1760234111 UAXRLIPHSASLIH-HXUWFJFHSA-N 461.588 1.655 30 10 JDEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CCS(=O)(=O)NC 1760237334 GFLWSJICWJRBSY-UHFFFAOYSA-N 456.366 1.628 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(C(N)=O)nc2)CC1 1760263604 IHPDLCSDAWGIKE-KDURUIRLSA-N 494.600 1.346 30 10 JDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1760510420 XJHIIIDVGFADOV-SFHVURJKSA-N 459.572 1.614 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(CCCN2CCOCC2)CC1 1760520266 IHGSGTHOYBTZCZ-UHFFFAOYSA-N 453.591 1.971 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C1 1760535362 PJGCHUIMHHLCIN-YESZJQIVSA-N 486.639 1.925 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CCC=CO1 1761235543 CDBSJUCQUIXEPQ-IAGOWNOFSA-N 451.535 1.486 30 10 JDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1767943343 BAXYHTZKZGXREG-QGZVFWFLSA-N 458.544 1.530 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1768526055 CBVXEKMTBZBVGS-UHFFFAOYSA-N 468.587 1.826 30 10 JDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1 1858963491 NVNSYPPKCNHDAP-AWEZNQCLSA-N 469.475 1.036 30 10 JDEE CCCCCCCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2cccc(NC(C)=O)c2)[nH]1 1871533984 VGWIHSNWHHPBJI-UHFFFAOYSA-N 459.595 1.981 30 10 JDEE C[C@@H](O)CN(CCNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255529215 ITXVNEJTKASLLO-CYBMUJFWSA-N 455.386 1.790 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2267146197 JCCLZHKHSOXDLY-HUUCEWRRSA-N 467.759 1.744 30 10 JDEE C[C@H](C[S@](C)(=O)=NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2267266557 QDMUQDMMGADXEW-GGQVQLDRSA-N 471.389 1.266 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](F)C[C@@H]1CNC(=O)OC(C)(C)C 2267272430 ZKSJMIYFMZUONE-QWHCGFSZSA-N 453.324 1.192 30 10 JDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267716862 ULJOLWFBXQEVKU-GJZGRUSLSA-N 488.437 1.960 30 10 JDEE Cc1c(C(=O)NCC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281799897 BMWPYARJPDARHW-HOTGVXAUSA-N 460.384 1.870 30 10 JDEE Cn1ncc(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1B1OC(C)(C)C(C)(C)O1 2281812254 QEDZRBUDIKCNOY-OAHLLOKOSA-N 464.372 1.475 30 10 JDEE 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CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)s3)O[C@@H]2C1 2284061778 GUXVJWLGAOLOME-MJBXVCDLSA-N 481.380 1.784 30 10 JDEE CC1(C)OB(c2cc(C(=O)NC3(C(=O)O)CCN(Cc4ccccc4)CC3)[nH]n2)OC1(C)C 2284437362 QIHSNSPVHJCDFP-UHFFFAOYSA-N 454.336 1.558 30 10 JDEE COCCN1C(=O)C(=O)C(=C(O)c2cccc(S(=O)(=O)N(C)C)c2)[C@]12C(=O)N(C)c1ccccc12 2296173526 FKRFRXGHUWPPQD-XMMPIXPASA-N 499.545 1.136 30 10 JDEE COc1ccccc1[C@H]1C(=C(O)c2c(C)nn(C)c2C)C(=O)C(=O)N1CCN1CCOCC1 2296621176 OSVHHWVYBXRZIE-NRFANRHFSA-N 454.527 1.799 30 10 JDEE COc1cccc([C@H]2C(=C(O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCN2CCOCC2)c1 2296627869 VRSBRULCZJSSCN-NRFANRHFSA-N 454.527 1.799 30 10 JDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H]1C[C@@H]2CSC[C@H](C1)C2=NO 2366828718 PAWRKLCCOWBODP-QDMKHBRRSA-N 451.570 1.954 30 10 JDEE Cc1cc(CNC[C@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369686869 FZUBKGKMXKWAFG-SLFFLAALSA-N 462.396 1.725 30 10 JDEE C=CCn1c(=O)c(=O)n(Cc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2)c2ccccc21 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C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCNS(=O)(=O)CC 1286369439 QBUJMFWTIVBJAZ-UHFFFAOYSA-N 457.560 1.074 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(CN2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 1286380028 GBGHWFIJDAFJKH-QFIPXVFZSA-N 498.653 1.687 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CCNC(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1286385921 RDMGXPPRXPKXKT-LJQANCHMSA-N 457.600 1.941 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCS(=O)(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286386928 JYMCLXZEUZRXQI-KRWDZBQOSA-N 465.601 1.180 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC(=O)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1286389456 KHPAKQSYDVMMDT-IBGZPJMESA-N 479.566 1.020 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286392053 AJGBLFWSYPPIOG-NHCUHLMSSA-N 490.674 1.682 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCOc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1286395236 MDDWLXDKKSGMHD-GOSISDBHSA-N 492.001 1.760 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nc2c(s1)CCCC2 1286419780 FMPGZXGROGFLPU-MRXNPFEDSA-N 460.629 1.929 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(-n2cncn2)nc1 1286421283 CVYDAWXEKMAMNH-XMMPIXPASA-N 460.542 1.806 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CC=CCC1 1286453658 BGRLZZCFQNZQHF-GOSISDBHSA-N 460.579 1.929 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1286472954 FPRFRMWTDGNBGS-LJQANCHMSA-N 473.559 1.033 30 10 JDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286505470 ASXXYAINZHNTEY-UHFFFAOYSA-N 482.610 1.171 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1286781666 WYHHXERBGXYLFU-MRXNPFEDSA-N 484.561 1.673 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](OCCOC)C1 1286787121 OSXNUAULSWVMEV-KRWDZBQOSA-N 481.557 1.126 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCNC(=O)[C@@H]1CC 1286817464 STDZXBBFIOJNCC-INIZCTEOSA-N 461.544 1.032 30 10 JDEE CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1291826150 FSPPQGOYLDGXRB-FUHWJXTLSA-N 466.546 1.247 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300488147 OXUXRGVHKKHNDN-PZJWPPBQSA-N 472.615 1.324 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1300497510 ZMMZJNOJJWQYOF-QZTJIDSGSA-N 484.644 1.014 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1300498128 HFANBLUABAYHJN-SFHVURJKSA-N 456.528 1.073 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1300499864 YRKYZGWNAFBBOM-MOPGFXCFSA-N 462.547 1.440 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1300502228 RKKAKFSRJGWSFI-XMSQKQJNSA-N 472.571 1.267 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1300503083 AJPDJRTXJSRCKW-DVECYGJZSA-N 485.610 1.579 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(OC)CCOC1 1300575238 UQJYAPBLMRVRDJ-QFIPXVFZSA-N 456.572 1.507 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1300684227 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C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccccc2Cl)CC1 1359035803 DZVQGGOPAMYEBR-KRWDZBQOSA-N 463.991 1.668 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1359036934 OHSXWTWFEHAYGJ-UHFFFAOYSA-N 451.619 1.909 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N(C)c2ccccc2)CC1 1359045986 ZQDVITDEMRGYQY-CTNGQTDRSA-N 498.653 1.671 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(C)(C)C(=O)NC)CC1 1359046199 IBKXRRZXHSIRBY-UHFFFAOYSA-N 476.585 1.255 30 10 JDEE C#CCSCCn1c(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@]1(OCC)CCOC1 1359061590 GVZRALXECNYSEI-MBSDFSHPSA-N 487.630 1.694 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1359102573 CUBXWFUSOJQNRI-URVUXULASA-N 491.662 1.887 30 10 JDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(S(C)(=O)=O)CCC1 1359237472 AMJWIUSYAOWCLS-UHFFFAOYSA-N 452.606 1.828 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCSCC1 1359281447 ZNPYIURCKHMZDL-UHFFFAOYSA-N 469.615 1.880 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCc2cnn(C)n2)C1 1359315547 WQDNMLCCCQWKIZ-LJQANCHMSA-N 471.587 1.891 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccc(C)cc2)C1 1359321559 IDDDCBWWXKIQQH-SFTDATJTSA-N 491.614 1.780 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1359335725 SPSUTTCQPIAABF-KRWDZBQOSA-N 463.535 1.408 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)Cc1ccccc1 1359473741 HBTKKSZOMFGLRV-SVFBPWRDSA-N 489.646 1.727 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCOC2)c1 1507548352 RIYAUUWIWYVFJD-FUHWJXTLSA-N 474.587 1.371 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1507558342 WLWVZSXIIVDDQD-CABCVRRESA-N 450.531 1.765 30 10 JDEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1507624432 ADYWZXCFFWAEBP-KRWDZBQOSA-N 466.567 1.517 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(COC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1507630918 ACUCUUXQQUCJOT-MOPGFXCFSA-N 498.671 1.404 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1507635587 XQHRSYIBNKTYKS-HNNXBMFYSA-N 452.527 1.935 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CC(=O)N(CCOC)C1 1507642933 DGKWDHSXIDTYGX-MRXNPFEDSA-N 473.375 1.614 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2Cc2cccn(CC)c2=O)CC1 1507733017 WNDHPGSTLPXBAO-UHFFFAOYSA-N 450.518 1.981 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](CC)N2CCCC2)CC1 1507737578 AGVHSVMGVHNRIE-VQTJNVASSA-N 476.647 1.020 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOC(C)(C)C 1507797604 MDYCQGSTLCUWMO-QRVBRYPASA-N 485.651 1.844 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507800734 OYWWVZCTOKCQIO-SIKLNZKXSA-N 453.591 1.840 30 10 JDEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507961502 ABXPJGXTVZMYMU-INIZCTEOSA-N 487.586 1.657 30 10 JDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1508062876 RQQOSELOMHRZPG-NRFANRHFSA-N 487.674 1.594 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1508070855 FCVZBACMQBXWOH-FQEVSTJZSA-N 495.584 1.277 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1508079001 MGDWWXOGCOPZDJ-AZUAARDMSA-N 457.531 1.649 30 10 JDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1508094033 FTSVPHCQASLYAK-UHFFFAOYSA-N 487.612 1.996 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCOC[C@@H](C2CCC2)C1 1508131306 LGKZRLYKIBTNCC-SFHVURJKSA-N 451.593 1.368 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1508145692 OQXPEIATGBUAHR-RTBURBONSA-N 466.652 1.258 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1519221743 CIVBWVUSOAEQLL-RBBKRZOGSA-N 470.574 1.549 30 10 JDEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl)C1CCOCC1 1529522042 OGIRXQZNYGAABS-HXUWFJFHSA-N 453.992 1.824 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2)C1 1539071775 DONUODIMIJDMCO-RTWAWAEBSA-N 473.599 1.992 30 10 JDEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCNS(=O)(=O)Cc1ccon1 1539147965 LDRFNSRWKATQTM-UHFFFAOYSA-N 454.556 1.925 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(=O)NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 1539219058 GNIPOHPMHTUPJV-LJQANCHMSA-N 485.541 1.544 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCCC2)nc1 1539239673 OJDSVQOQNRVMNY-SFHVURJKSA-N 455.588 1.395 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CN(Cc2ccccc2)CCO1 1539297034 XYOWXKBMONAPEM-IFMALSPDSA-N 484.626 1.252 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCN(C)C1 1539392353 PNNXFULGZHWLQG-PGRDOPGGSA-N 461.563 1.026 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC 1539416942 VZHAYUXUHHKKHH-KRWDZBQOSA-N 484.623 1.028 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@H]2CCCS(=O)(=O)C2)n1 1539424184 NNVMXSMGMSHSHI-GOSISDBHSA-N 462.620 1.883 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)CCOC)CC1 1539481952 QEENPTUWMQJGIL-GOSISDBHSA-N 465.620 1.209 30 10 JDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1539574121 HOYIAXZHAJVKQF-LBPRGKRZSA-N 455.338 1.457 30 10 JDEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CCN1CCN(C(C)=O)CC1 1540146458 BALQVOIPVXKYTI-UHFFFAOYSA-N 471.631 1.819 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCNC(=O)CC1 1540865194 XOXRBWUZYUQYBM-UHFFFAOYSA-N 463.336 1.345 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1540867555 ZNLJOHSQXHCESA-HJPURHCSSA-N 457.531 1.649 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)CN(CC)CC)CC2)nnc1C(C)(C)C 1540909131 YYULJHRUTMRUPI-UHFFFAOYSA-N 454.641 1.167 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccco2)CC1 1547767618 BOGHVVYDLXNDSM-RUZDIDTESA-N 493.568 1.488 30 10 JDEE CCn1ccc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(=O)NCCOC)n1 1548372655 PYSZQBMAMIODDB-IBGZPJMESA-N 478.475 1.887 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2ccsc2)CCO1 1554442418 AOEPHJCLRLFRSW-XMSQKQJNSA-N 452.540 1.737 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)C1=O 1584466044 BOIHBZDCJRPVIU-KRWDZBQOSA-N 456.499 1.784 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1587804364 ZWEBKCFBEOFXGY-FQEVSTJZSA-N 478.601 1.862 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1CCN(C(=O)OC)CC1)[C@H]1CCS(=O)(=O)C1 1588055726 YQRSPTGBCHLMCG-MOPGFXCFSA-N 479.603 1.277 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1588069382 MPDMOZNPTRGRGE-HOTGVXAUSA-N 479.653 1.649 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC[C@H]1COCCO1 1588581041 DKWJIVQPAFVIIA-INIZCTEOSA-N 452.353 1.938 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1588732871 IINOYSCLWGVPQB-GOSISDBHSA-N 482.589 1.841 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[C@H]2CCOC2)CC1 1588835558 BGQMMROBBSRSPS-VQTJNVASSA-N 474.606 1.768 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(O)cc2)CC1 1588884823 NYROQVDXJVFOIU-UHFFFAOYSA-N 450.543 1.428 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1 1589493437 HMTPQRVHCIDDQT-KURKYZTESA-N 454.641 1.790 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C(N)=O)c1 1594497301 FEGSNIBDRPCVGT-IBGZPJMESA-N 490.630 1.949 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1594497409 GTURPHLJQFDTAJ-INIZCTEOSA-N 473.665 1.691 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1595405822 ZPTDITBKZVTUPJ-IRXDYDNUSA-N 484.623 1.490 30 10 JDEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1595434854 YMMQNWGQQQRFHI-UHFFFAOYSA-N 465.562 1.810 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1595490766 ZOQMUGWSSWTTPE-CQSZACIVSA-N 485.408 1.362 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(C(C)C)CC1 1595789254 PZRZSHMAFBRVLC-UHFFFAOYSA-N 499.641 1.713 30 10 JDEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1611359519 BLYFGPDWUDPTHH-UUOWRZLLSA-N 499.641 1.637 30 10 JDEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cnn(C)c1)S(C)(=O)=O 1615620246 HMNKVZVDNJWJNV-UHFFFAOYSA-N 456.576 1.858 30 10 JDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2CCN(C(=O)OC)CC2)CCOC1 1616204568 CJPGGWJDECLYFN-RTWAWAEBSA-N 450.515 1.851 30 10 JDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CC1(N(C)C)CCOCC1 1617792712 FMFUQKDUYQJZGS-UHFFFAOYSA-N 467.574 1.223 30 10 JDEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1618716623 GUQTYAYAAOFKFN-LJQANCHMSA-N 470.599 1.994 30 10 JDEE COc1cccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2CCC(=O)N(C)C)c1 1619352403 AJLZFSFENHAVEC-KRWDZBQOSA-N 475.557 1.809 30 10 JDEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1619722916 DVLILMNWQXOMQW-OAQYLSRUSA-N 467.574 1.366 30 10 JDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCOc1ccc(S(C)(=O)=O)cc1 1690025275 KOQYENFCMTYRAQ-UHFFFAOYSA-N 466.567 1.695 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@]2(N(C)C)CCSC2)CC1 1690142152 JEVTWLNOCZFTGR-QFIPXVFZSA-N 456.620 1.082 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCN(CCC)C2)CC1 1690154507 PWBPYFLWIHZEAM-BVSLBCMMSA-N 472.634 1.700 30 10 JDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1690178947 INJJCYSUQGIYCG-INIZCTEOSA-N 468.674 1.766 30 10 JDEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690346377 RXVFGCVGRDKEMG-HZPDHXFCSA-N 481.985 1.895 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1690661820 IGAQBEHLWJFYCM-XMMPIXPASA-N 481.557 1.750 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(COC)CC1 1690668759 IDPDEZGIYGPDIP-UHFFFAOYSA-N 451.531 1.357 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccc(F)cc3)C2)nnc1[C@@]1(OCC)CCOC1 1690678176 NKRMRORIGAFIQH-AUSIDOKSSA-N 459.522 1.949 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C(=O)OC)C2)cc1 1690679235 OJKZYHMKTCEKJA-NVXWUHKLSA-N 463.560 1.501 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OCC(N)=O)c2)C1 1690684790 OAMKLOCKTXBODX-IBGZPJMESA-N 454.531 1.208 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCS(=O)(=O)CC)C1 1690700172 OJNLIIBEYYYVEN-ROUUACIJSA-N 499.634 1.803 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1690725160 HOWQAUVFYGHBNK-PZJWPPBQSA-N 489.642 1.635 30 10 JDEE Cc1cc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)C[C@H](C)C#N)n(C)n1 1693399059 ATZRSHIYBPEIIF-OAHLLOKOSA-N 456.576 1.882 30 10 JDEE C[C@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1693876041 HCWDPINFOUTOSR-IQGLISFBSA-N 482.585 1.963 30 10 JDEE CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)N(C)C 1694287711 BWJCSXJJKKMVRN-SFTDATJTSA-N 496.664 1.836 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC(C)(F)F)c1 1696621321 HIANXCCNAMSQAV-OAHLLOKOSA-N 454.503 1.969 30 10 JDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCN(C)C(C)(C)C2)c1 1697308065 DXNHZEAQGBFSDH-NRFANRHFSA-N 469.590 1.717 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCN(C(C)=O)CC1 1705478584 DOJFKCSGMTZHIN-QGZVFWFLSA-N 486.646 1.169 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705558732 GTGPYPPSGSPWLS-MSOLQXFVSA-N 464.636 1.163 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1705559139 RZVDRWYJRAYXOH-WMZOPIPTSA-N 467.661 1.966 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705568707 UBDRLBPMOAHAHW-NRFANRHFSA-N 487.626 1.515 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CC(C)(C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705571185 XPGSHAPDMHELSD-LJQANCHMSA-N 477.656 1.668 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1705572090 QNRJOZDNEAQZIQ-MBOZVWFJSA-N 450.586 1.726 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCn1cc(CO)nn1 1705588077 UYCNYGCOXDFGIB-HDICACEKSA-N 468.562 1.296 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)CC 1705596277 ZFPWRBWPDJZLPQ-UHFFFAOYSA-N 466.567 1.573 30 10 JDEE C#CCN1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CCS(=O)(=O)NC)CC1 1705635418 YLLLOFNCQICJTB-UHFFFAOYSA-N 485.639 1.681 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC[S@@](=O)CC)CC1 1705648360 RZJHJLOGWUTZGL-BPJXYHRLSA-N 471.583 1.525 30 10 JDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1705720235 GHHFKZQQABBZQP-SFHVURJKSA-N 452.563 1.634 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2cnccc2c1 1705902343 CIAHKYWHGTVPRR-IBGZPJMESA-N 454.556 1.667 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN([C@H](C)C(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705909122 NSXSDNUZJBFDPT-OXQOHEQNSA-N 474.528 1.694 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](C(=O)OC)C1 1705936729 XEEGDEFPWPRBOE-MAUKXSAKSA-N 462.528 1.391 30 10 JDEE CC(C)(C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1706094489 BZUWECFUYYSABF-OAQYLSRUSA-N 492.628 1.975 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@H]1CCOC1 1706891558 GOFHNZYGLKNWDI-KVSKMBFKSA-N 460.560 1.374 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1710316677 DWZIJVRWHPZZJC-RUZDIDTESA-N 496.616 1.686 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(=O)Nc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1722358303 GHSSKADEINFFMS-SFHVURJKSA-N 486.598 1.299 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cn(CCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1722366563 HWIKKHFFLSVRRF-RTBURBONSA-N 473.603 1.209 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1722368916 UMCXWMQJJFGMBB-QHAWAJNXSA-N 463.648 1.919 30 10 JDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722460891 MLNFGIUGENPMMF-UHFFFAOYSA-N 453.616 1.375 30 10 JDEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722486686 AYICRWSBBPUMFG-UHFFFAOYSA-N 484.424 1.692 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CCS(C)(=O)=O)nnc1[C@@]1(OC(C)C)CCOC1 1722502711 UDSSRVJIOSNEEU-BBTUJRGHSA-N 456.609 1.781 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC2(CCOCC2)C1 1722529646 YDHQJAPMFNKJIW-INIZCTEOSA-N 459.638 1.583 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)NCCOC)CC1 1722686273 WHBKUHADVFQDGD-GOSISDBHSA-N 478.594 1.752 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1722728305 PHPZUXLABBDFON-SVFBPWRDSA-N 481.663 1.708 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)[C@@H](C)C1 1722794661 UEECMPJSXJGTDQ-GAJHUEQPSA-N 454.531 1.591 30 10 JDEE Cc1ccsc1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1724102345 ACGMBZPKLSYFLE-QGZVFWFLSA-N 464.617 1.964 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740583406 XYRPXKRVIXHAEQ-UHFFFAOYSA-N 472.615 1.409 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1740615419 DJAZYKBEMJRNHQ-MOPGFXCFSA-N 451.637 1.559 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1740624219 DWMHINCVBPMFOX-FQEVSTJZSA-N 469.611 1.850 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1740624487 JFNWGRUSFOALJI-RDPSFJRHSA-N 488.610 1.504 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1740628134 NWURGLXKTUZDFQ-INIZCTEOSA-N 452.964 1.908 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCn1cc(CO)nn1 1740639676 WXXQIIPEVKJJKW-UHFFFAOYSA-N 482.589 1.640 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc([C@H](C)OC)n1 1740685232 CNJNTLHUIWKZKA-GJZGRUSLSA-N 453.590 1.478 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(F)cn2)CC1 1740703112 GPMIQRYRNWXTNA-XMMPIXPASA-N 470.549 1.867 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)[C@H](C)CS(C)(=O)=O)nnc1[C@]1(OCC)CCOC1 1740767901 RTEQZTNCHKTFGX-WIRSXHRWSA-N 456.609 1.781 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(OCC2CC2)c1 1740900593 SRRDTBJDSAPPGP-SFHVURJKSA-N 462.576 1.465 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)Cc1nc(O)c2sccc2n1 1740962284 YAOBOZSPRGCQCP-UHFFFAOYSA-N 450.528 1.913 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)CCS(C)(=O)=O 1740964761 HVPZVLVFGGMDFW-INIZCTEOSA-N 484.623 1.523 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1740991592 ACSZCEIXUKIVIO-IERDGZPVSA-N 450.536 1.620 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccn2C(F)F)CCO1 1741110526 FBOLJQAREBRBJA-SFHVURJKSA-N 486.483 1.710 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CC[C@H](F)C1 1741939714 BQOBCVZSUUVCAX-QAETUUGQSA-N 491.597 1.403 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1748643901 ZBHQLAKWIGVGAG-CPJSRVTESA-N 466.586 1.737 30 10 JDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1748730014 BRKLSXALIHQYSD-UHFFFAOYSA-N 451.579 1.850 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1748752134 SHMVMVRPALRBKQ-TYPHKJRUSA-N 473.599 1.991 30 10 JDEE C#CCN(c1nnc(C)n1C[C@@H](c1cccc(C)c1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748803844 ADISPZVQUWJDLP-VXKWHMMOSA-N 457.600 1.595 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748816157 XVHTWOVJULTXAK-DLBZAZTESA-N 467.592 1.671 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1c(CC)nn(C)c1OC)[C@@H]1CCS(=O)(=O)C1 1748817082 DWOYWKKBIYHMCG-DLBZAZTESA-N 476.603 1.152 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOc1ccc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1748817416 KKPMUIIDAPQVFE-RDJZCZTQSA-N 465.963 1.536 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)N1CCOCC1 1748830924 AMRRELCGXVDKAB-UHFFFAOYSA-N 455.584 1.532 30 10 JDEE COc1cccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)N2CCCC2)c1 1748905747 ATFRPUVDWVSXBR-RTWAWAEBSA-N 467.574 1.991 30 10 JDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)COC)CC1 1749037610 GNXDINJNIQLDLX-IBGZPJMESA-N 457.556 1.452 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](COC)C1 1749229639 NFEZKFUSEMYUFI-OALUTQOASA-N 471.624 1.457 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N1CCCCCC1)C1CC1 1749519752 RQHNTGLDMFHISB-IBGZPJMESA-N 480.635 1.559 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC=C(COC)CC1 1749667273 WUHSSJDWDFJCFN-UHFFFAOYSA-N 463.542 1.760 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1749723781 BLTWDHPKBFBILU-FXAWDEMLSA-N 489.598 1.620 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1749725702 WMQOAWXSXDWNQO-UHFFFAOYSA-N 482.545 1.673 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1nncn1C 1749726745 CTWVVRWBRUFELS-GOSISDBHSA-N 452.544 1.888 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1749727207 PWZOCDKXRNEAHJ-FQEVSTJZSA-N 484.582 1.245 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(F)(F)F)CC1 1749731525 GIPPDZXPTSULBF-HNNXBMFYSA-N 451.515 1.805 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccs2)CC1 1749756101 RZTCYGMGTHMLTL-QGZVFWFLSA-N 498.700 1.918 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1760145491 PWGTWZDIXGDDFE-JKSUJKDBSA-N 454.597 1.653 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1760180574 HQNCVOLZMHQLGV-SIKLNZKXSA-N 465.620 1.041 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760182232 COAKFKKIJKLVLS-BPQIPLTHSA-N 462.597 1.631 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1760190416 QMDXYLGPJUFMSB-GOSISDBHSA-N 472.596 1.542 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1760191199 CRXAXADVMZRSGA-GJZGRUSLSA-N 467.642 1.648 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1760218994 RQQWZRRDKGKLSF-ROUUACIJSA-N 463.604 1.804 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C2CC2)c1 1760219782 NNLCIUUQNYLGRK-JOCHJYFZSA-N 467.595 2.000 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cccc(OCC(N)=O)c2)CC1 1760254786 KUWXIJVMWCFQOF-UHFFFAOYSA-N 498.385 1.703 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1760259842 QLJQVQUGWYUDDG-ZWKOTPCHSA-N 456.513 1.538 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(OCCN(C)C)c2)CC1 1760268396 JCCIAKYJZMTYRX-JOCHJYFZSA-N 493.612 1.184 30 10 JDEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@H]1CC 1760279385 BGJPPZFOSHHJOD-GOSISDBHSA-N 465.583 1.756 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1760440568 MRILYQUEXBXQKJ-OALUTQOASA-N 480.635 1.320 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1760553796 ZQPQNSKABGNDHN-UHFFFAOYSA-N 498.627 1.577 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)n(C)c1=O 1769818925 FQXFNTSGGJLSJC-OAQYLSRUSA-N 475.553 1.809 30 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30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1588045681 OQSWVUWPBWWZDS-XZOQPEGZSA-N 496.637 1.800 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1588876801 JUIVIXYSSOFFRP-FKBYEOEOSA-N 460.623 1.114 30 10 JDEE C#CCSCCn1c(Nc2cnn(CC3CCC3)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1589125901 RPRADEVVAGYWPU-SFHVURJKSA-N 479.632 1.718 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1593636755 RLLJVTOMGHKQLE-SJORKVTESA-N 484.623 1.681 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1593695339 DBUIAAPJVVBPQP-UWVAXJGDSA-N 457.597 1.255 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1595466679 LKFXVIWZSDWMLW-HXUWFJFHSA-N 452.559 1.654 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 1595550348 CXKJAJYTADLQRE-IBGZPJMESA-N 488.614 1.211 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1595883805 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1690354098 FEJRDVLRBSBBPV-UHFFFAOYSA-N 488.976 1.889 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1 1690622388 OHWHAAFJCQUPGX-GOSISDBHSA-N 469.995 1.952 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1690674404 ZMHWAMAZPBTMRQ-CQSZACIVSA-N 456.494 1.737 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](C(N)=O)C1 1690720073 ZJOJKRKEKORPFU-ZDUSSCGKSA-N 453.952 1.520 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690725151 HKLMTPSACMOQFQ-UHFFFAOYSA-N 499.634 1.469 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1690733921 QRNROCZNDZWNPT-PBHICJAKSA-N 468.653 1.857 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1NC(=O)CC1(C)C 1705481407 GDTKIDPEYSCAER-CRAIPNDOSA-N 458.588 1.568 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1705560687 JHRBZPPEYOIKAD-IBGZPJMESA-N 498.609 1.988 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1F 1705598359 HVHOHVLKGCTWDP-HXUWFJFHSA-N 459.547 1.570 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCCC1=O 1705627677 NJBBJXMCCAJENM-FQEVSTJZSA-N 450.543 1.486 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@H]2NC(=O)CC2(C)C)n1 1705631492 HGRTXQRNYXTDHL-LJQANCHMSA-N 450.547 1.671 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC2(O)CC(OCC)C2)CC1 1705649188 NPKJBWZRWOAKOY-UHFFFAOYSA-N 455.534 1.980 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CCOC2)CC1 1705651205 NOLJVKOPVHQYTC-DEOSSOPVSA-N 453.543 1.283 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN2CCCCC2=O)CC1 1705652599 GKZJSLHRUVEVOD-UNMCSNQZSA-N 486.617 1.371 30 10 JDEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1705820244 HBHQRBKRIGTIQJ-UHFFFAOYSA-N 455.954 1.824 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2cccnn2)CC1 1705905016 GMTUGJPATRUPBE-UHFFFAOYSA-N 452.950 1.941 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1705936938 BZDOOMQEQWSTRN-LJQANCHMSA-N 474.631 1.996 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1722359223 JUCURSPRVVEVTR-OALUTQOASA-N 466.567 1.358 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(C(C)(C)O)c1)[C@H]1CCS(=O)(=O)C1 1722366920 KVNYYBLJJHPTNM-ICSRJNTNSA-N 458.584 1.684 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1722372060 ONMFLBSAIIENET-MOPGFXCFSA-N 462.645 1.910 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCCN1CCN(c2ccncc2)CC1 1722388269 YDOVEHMGCVJCRB-UHFFFAOYSA-N 462.602 1.487 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@H]2COCCO2)CC1 1722443043 AMMSRMBCFRSAFO-RDPSFJRHSA-N 475.590 1.090 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)COC)CC1 1722443535 KWGBXVQXQVSJHP-UHFFFAOYSA-N 487.626 1.987 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCS(=O)(=O)NC)CC1 1722582676 OVRUZTIZNKQQNR-KRWDZBQOSA-N 484.623 1.538 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1722703375 ZVZPXFRLCRULLD-SFHLNBCPSA-N 471.606 1.909 30 10 JDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1722737889 UWERQPUYVBGRFM-OAHLLOKOSA-N 453.572 1.778 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2ccc(C)n(C)c2=O)c1 1740564517 PLYWAZMVWXGNGB-HXUWFJFHSA-N 460.538 1.894 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCc1nc2ccccc2[nH]1)[C@H]1CCS(=O)(=O)C1 1740615620 HZMQEKRXORNRHF-KRWDZBQOSA-N 483.598 1.552 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2)CCOCC1 1740630040 DOLZCVWGGMKWOY-LJQANCHMSA-N 455.584 1.710 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N1CCOCC1 1740645744 LALUJCNTHUEFEH-MOPGFXCFSA-N 490.655 1.486 30 10 JDEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740674789 TVKULXPESWZZKT-IBGZPJMESA-N 483.388 1.629 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCc3ccccc32)CC1 1740689857 DTLHNBMENUJDAY-QUCCMNQESA-N 456.616 1.764 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOc2ccccc2C(C)C)CC1 1740690831 OKCJCAJPOATUDF-IBGZPJMESA-N 474.631 1.846 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC1 1740696276 PSKBQPSZAJDJTI-HXUWFJFHSA-N 499.641 1.514 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740954969 UJWJATYNCSLMFC-KRWDZBQOSA-N 477.363 1.351 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@](C)(C(=O)NC)C1 1740990717 YRQGXNSHDVIELO-QHCPKHFHSA-N 470.599 2.000 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(O)cc2C1 1741002643 JXTVACLDMDNNLP-LJQANCHMSA-N 479.628 1.799 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 1741056310 GPXFITJOCDKFTE-UHFFFAOYSA-N 492.628 1.676 30 10 JDEE C#CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCC)[C@H]1CCS(=O)(=O)C1 1748804839 LZPIKEQRHBKQJT-KRWDZBQOSA-N 478.644 1.973 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCOC(C)(C)C1 1748842706 STTVXABSMPDMGI-UHFFFAOYSA-N 473.581 1.859 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1CCC 1748892232 LQVSBIQRDJUPKB-NHCUHLMSSA-N 476.647 1.338 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(N(C)C)CCC2)CC1 1749016002 WBWQJXKVPKWYSB-UHFFFAOYSA-N 452.607 1.590 30 10 JDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1749024093 FHNLYTBEPFGNFV-SFHVURJKSA-N 474.608 1.955 30 10 JDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749232217 GXCSYRWHRMJJSO-IEBWSBKVSA-N 454.531 1.470 30 10 JDEE C=C(C)COCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC(=O)N(C)C[C@H]1C 1749235639 VCTTZGJATUDCHB-JOCHJYFZSA-N 481.645 1.902 30 10 JDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1749457364 PWHZZUBPOVHBED-IBGZPJMESA-N 452.559 1.845 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1749657889 FGHKGUPTLKNNRV-NSHDSACASA-N 467.349 1.712 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1749669082 HJJAVFKCLXQDNU-JKSUJKDBSA-N 479.990 1.794 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1749721377 IKDNACSNBSLIMU-DLBZAZTESA-N 458.592 1.769 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1749735854 BRWDALHGPUVVOL-NRFANRHFSA-N 485.614 1.583 30 10 JDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760137111 FLUFCFKJUZNHAQ-LJQANCHMSA-N 452.563 1.207 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)cc1OC 1760154321 CRUAIVBPFJITGX-HXUWFJFHSA-N 477.587 1.678 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760180201 ABVVXCCVTSKTEG-XBJMDHIQSA-N 493.674 1.677 30 10 JDEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1760186175 BHQQSARHZCLGBL-XXBNENTESA-N 487.630 1.240 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1760187249 UKEFPNMXFBKGHR-ZWKOTPCHSA-N 472.633 1.012 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(C)(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1760187648 XNCCYAYKFCRKAF-WMZOPIPTSA-N 468.645 1.633 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCSCC1 1760226838 LDVVFOCZDDLILL-UHFFFAOYSA-N 462.645 1.704 30 10 JDEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC[S@](=O)CC)CC1 1760254822 LYTPVUSXAFHVEB-JGCGQSQUSA-N 477.660 1.070 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ncn(-c3ccccc3)n2)CC1 1760265351 YQKCJRAWSZCFLE-UHFFFAOYSA-N 475.557 1.011 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCNS(=O)(=O)c2ccccc2)CC1 1760266115 QFKYQFKWRURGPH-UHFFFAOYSA-N 458.588 1.346 30 10 JDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)NCC)CC1 1760281659 PMESHZMVHYFIDD-FQEVSTJZSA-N 470.599 1.415 30 10 JDEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(=O)COC)CC1 1760341932 FGGAAFAZKUFRPT-UHFFFAOYSA-N 461.592 1.418 30 10 JDEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCNS(=O)(=O)Cc1ccon1 1760454415 IPLRGCYZZFHATL-UHFFFAOYSA-N 484.380 1.776 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1760522723 CHZXXWZYXRRTMF-UHFFFAOYSA-N 462.562 1.586 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCS(=O)(=O)c2ccccc2)C1 1760541689 GJTBTZKAHGEXJP-HKUYNNGSSA-N 459.572 1.875 30 10 JDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1764919237 FSLVJWZEVPIYTC-NVXWUHKLSA-N 479.511 1.480 30 10 JDEE C=CCn1c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc2c(N3CCC(O)CC3)ncnc21 1873593728 VCKYXNUWPWSPGV-UHFFFAOYSA-N 470.555 1.156 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)[C@H](O)C1 2197485268 ANRNMDQBEKDYFY-OYYQPBACSA-N 466.384 1.804 30 10 JDEE CC1(C)OB(c2ccc(N3CC(O)(C4CCN(C(=O)C(F)(F)F)CC4)C3)nc2)OC1(C)C 2241046694 MGBBXBXVTKWVRD-UHFFFAOYSA-N 455.286 1.733 30 10 JDEE COC1(CNC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN(C(=O)OC(C)(C)C)C1 2267500080 CXEKUGCQBLIAAD-UHFFFAOYSA-N 450.345 1.085 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1c(F)cc(B2OC(C)(C)C(C)(C)O2)cc1F 2267511991 JVQURCFWISYPKL-ZDUSSCGKSA-N 456.295 1.879 30 10 JDEE CO[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H](CNC(=O)OC(C)(C)C)C1 2281985397 LRNGSLHDRYDRGO-CABCVRRESA-N 464.372 1.853 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)CCO2 2281990927 TWKUXEHCSFOBRC-QFIPXVFZSA-N 462.356 1.561 30 10 JDEE C[C@H](NC(=O)OC(C)(C)C)c1nc(=NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[nH][nH]1 2282028069 ZASHNGMTUAJMHA-NSHDSACASA-N 459.316 1.154 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](OCCNC(=O)OC(C)(C)C)C2)n1 2282043165 IIDNASISGJUCQL-OAHLLOKOSA-N 464.372 1.475 30 10 JDEE Cn1cc(C(=O)N2CCO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282047541 ZOJMTLWOWZJRNL-HZPDHXFCSA-N 462.356 1.180 30 10 JDEE Cc1nc(S(=O)(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282510169 VKBKSLKDNYEENV-UKRRQHHQSA-N 484.428 1.704 30 10 JDEE CC(C)(C)OC(=O)N1CC(N2CCN(C(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)CC2)C1 2282517109 PNFUSLNTTXJYOD-UHFFFAOYSA-N 478.424 1.819 30 10 JDEE Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3COC[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2282561072 IHVADURFWKDLDN-JKSUJKDBSA-N 462.356 1.180 30 10 JDEE Cc1nc(S(=O)(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282867311 WVVOUTMLAMDNBA-LJQANCHMSA-N 474.436 1.923 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NCC1(O)CC(NC(=O)OC(C)(C)C)C1 2285210547 JTQJPKKDGKXQNX-UHFFFAOYSA-N 461.368 1.837 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1(C)C 2380427612 GKVBJOMAGLBCBT-HNNXBMFYSA-N 484.428 1.786 30 10 JDEE COc1cccc(CNC(=O)CSc2nnc(N/N=C/c3cnn(C(C)C)c3)n2N)c1OC 20920514 ZDHSHQVVKDIBJS-LIMNOBDPSA-N 473.563 1.641 30 10 JDEE CCOc1cc([N+](=O)[O-])cc(/C=N/Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)c1O 27471217 RZIMAEGMUSAFBT-FYJGNVAPSA-N 458.479 1.767 30 10 JDEE O=C(N1CCCN(C(=O)C(F)(F)F)CCN(C(=O)C(F)(F)F)CCCNCC1)C(F)(F)F 72400597 YAJIMXYFYCOBMX-UHFFFAOYSA-N 488.351 1.543 30 10 JDEE in-vitro C=CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1 521135231 FLDIJZXBPMTOEN-UHFFFAOYSA-N 464.632 1.344 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CC1 609213124 GFBNWEOBGQSQEX-UHFFFAOYSA-N 497.621 1.731 30 10 JDEE CC1(C)OB(c2ccc3c(c2)N(S(=O)(=O)CCN2C(=O)c4ccccc4C2=O)CC3)OC1(C)C 712973621 NIQLLNLLCOTBFX-UHFFFAOYSA-N 482.367 1.974 30 10 JDEE C#CCSCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1136873843 ZQACIVCYJMZDLF-UHFFFAOYSA-N 452.339 1.638 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CC)Cc2ccccc2Br)CC1 1223773008 ATIGVWQMLNCEGG-INIZCTEOSA-N 457.394 1.565 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCN(Cc2ccccc2)CC1 1286279481 VNDZXLZXIFRKHG-VQTJNVASSA-N 473.647 1.164 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CCN1CCOCC1(C)C)[C@H]1CCS(=O)(=O)C1 1286386542 CLZUOAFOUOQEKX-FQEVSTJZSA-N 457.600 1.683 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1286387016 MNJJHTPSMSJOKF-INIZCTEOSA-N 457.585 1.760 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCOc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1286389408 JJYXLFQVNBUJBM-SJLPKXTDSA-N 477.974 1.588 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286390595 BTIYIDNZLIHIJZ-SELNLUPBSA-N 474.583 1.066 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CCOC[C@@H]2C)CC1 1286486537 GOLFWPUNLRIRET-IBGZPJMESA-N 496.612 1.649 30 10 JDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1286529998 CLHUUNPBFOJQLL-ZBFHGGJFSA-N 453.385 1.580 30 10 JDEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286626726 HJMJYLCWDNLOBO-UHFFFAOYSA-N 498.975 1.118 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)nc1 1286762524 ICWDPBLCZATRIL-HXUWFJFHSA-N 480.594 1.958 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 1286790268 MDLVVCABPVRPME-UHFFFAOYSA-N 486.580 1.967 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1C1(c2ccccc2)CCC1 1286793219 AGORYHLDEMSJSC-FQEVSTJZSA-N 452.559 1.392 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC2(CCCC2)C1 1286820534 MWVKUMFYDIGCNF-QGZVFWFLSA-N 456.634 1.942 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(F)F)c(F)c1 1300307900 JVWHASQVEFWEAN-DYVFJYSZSA-N 487.504 1.858 30 10 JDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1300362974 VYDHALPOAIJXEP-VQTJNVASSA-N 465.620 1.606 30 10 JDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)N1CCSCC1 1300459953 LNIUSVBKYVWTHK-UHFFFAOYSA-N 471.612 1.579 30 10 JDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCN1CCOC1=O 1300471471 CUSNHYRRXHFEBP-UHFFFAOYSA-N 451.575 1.555 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCCN1CCCC)[C@@H]1CCS(=O)(=O)C1 1300479236 KANWVTRVKHOJIN-VQTJNVASSA-N 478.663 1.698 30 10 JDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(=O)(=O)NC(C)C 1300618223 BDHNGAQFEAKOTL-UHFFFAOYSA-N 467.621 1.026 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCn1cncn1 1300665125 HBRDTOCEHVMWHO-UHFFFAOYSA-N 458.567 1.770 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2sc(C)nc2C)n1 1300681562 UDTHFQGMYWGYCQ-SFHVURJKSA-N 468.587 1.834 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC(=O)N(C)CC)CC1 1300688684 IZAPGKGPILMERR-UHFFFAOYSA-N 456.547 1.204 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](SC)C(C)(C)C)CC1 1300727217 VFVQMSAVKNSYEI-MSOLQXFVSA-N 481.688 1.924 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301520163 VAOCFKMRYMNMTR-GOSISDBHSA-N 483.598 1.654 30 10 JDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCc1nnc2n1CCCCC2 1314871083 CLFXOHGUXPGBKG-UHFFFAOYSA-N 483.602 1.363 30 10 JDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CC2(Cn3cnnn3)CCCCC2)c1 1357766255 BMONZOVPEIGPKR-UHFFFAOYSA-N 450.543 1.887 30 10 JDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1358912274 NFBAEVFQLOARAV-LJQANCHMSA-N 457.604 1.879 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1cccc(OCCC)c1)[C@H]1CCS(=O)(=O)C1 1358962119 KNTOHNIQNWXGFB-FPOVZHCZSA-N 485.610 1.887 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCC(F)(F)F 1358969690 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GRLKNXPOVQMHNS-GOSISDBHSA-N 461.544 1.562 30 10 JDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCS(=O)(=O)C1 1507608033 HVOQHPMXLJKRIG-OAHLLOKOSA-N 450.590 1.132 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1507628576 XJJZRRFKKCQENC-ROUUACIJSA-N 491.589 1.956 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1507629877 XOVNDZHMSLTVOX-QGZVFWFLSA-N 465.526 1.516 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1507707608 YDNCUJMROMBKER-HSZRJFAPSA-N 471.583 1.446 30 10 JDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCOC)CC1 1507752267 VFZDEZZSCCYJMG-UHFFFAOYSA-N 453.572 1.729 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(S(C)(=O)=O)CC1 1507790946 FZVCJGZUXPGQBA-SJLPKXTDSA-N 451.593 1.509 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1508078987 MBTFOMLOILZNQZ-OAQYLSRUSA-N 497.625 1.950 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1508083012 YVJFHLZOUKCQKQ-WOJBJXKFSA-N 454.623 1.581 30 10 JDEE CC(C)(C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1508466508 HARAUODMPQAAJB-OALUTQOASA-N 465.558 1.841 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCSC2)c1 1539046133 NRDITEKTBJJTRL-HSZRJFAPSA-N 468.583 1.325 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1539094042 JJVWXYHYBMCNOJ-CVEARBPZSA-N 451.622 1.641 30 10 JDEE C#CCCCn1c(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1539141463 VBVZPHQWZKJNCV-RDPSFJRHSA-N 458.607 1.477 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(COC)c1)[C@H]1CCS(=O)(=O)C1 1539220513 KCKBXVHTETWXAL-RBUKOAKNSA-N 457.556 1.051 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(C)CCO[C@H]2C2CC2)CC1 1539469903 VROIGZRUNQVVDF-BTCOZLQPSA-N 492.646 1.059 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1539798317 DVWQGPYDEHJTKT-GJZGRUSLSA-N 464.958 1.784 30 10 JDEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](C)(C(N)=O)C1 1540036751 UBJVIJYZSRWKHI-HSZRJFAPSA-N 454.579 1.747 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(OC(F)F)c1 1540072427 LFWCTPYWTANUOR-QGZVFWFLSA-N 487.529 1.892 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)CC1)C(C)C 1540151399 HJEVJVBIJPFORX-RBUKOAKNSA-N 459.595 1.816 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H]2OC)CC1 1547767520 AJJPGJAZVAKEBX-IRLDBZIGSA-N 481.601 1.802 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1588049608 JKSQTYFWNLBKFM-FQEVSTJZSA-N 467.555 1.312 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@](C)(O)C2CC2)CC1 1588762554 KMZQLDPDRJOWIA-DEOSSOPVSA-N 455.559 1.887 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1588768263 CUBFDSYDFHJXKJ-OAQYLSRUSA-N 450.587 1.758 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N(C)c2ccccc2)CC1 1588811162 BKDYTGWVOLBMCI-WOJBJXKFSA-N 456.616 1.460 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2sc(C)nc2C)CC1 1588929424 AFIDDSDQZGJKRF-SFHVURJKSA-N 490.655 1.462 30 10 JDEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1594807461 PGWYHKJLJFEKTK-KRWDZBQOSA-N 465.558 1.935 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1595760525 ORDGGFPGIURUFR-OAQYLSRUSA-N 486.642 1.930 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1595823248 MLUUQFHUALRGJW-SFHVURJKSA-N 459.572 1.577 30 10 JDEE CCCN1CCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1614889654 HDUIJFQERQPNKO-JQVVWYNYSA-N 479.651 1.615 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C)c1 1624947208 RUXJIDUJGMBCFM-MRXNPFEDSA-N 450.557 1.792 30 10 JDEE CC(C)(C)NC(=O)[C@H]1CCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1655658516 FXUDRTAXNWTBOQ-QGZVFWFLSA-N 454.531 1.834 30 10 JDEE C=CCn1cc(CNC(=O)NCCCNC(=O)c2cc(OC)ccc2Br)nn1 1681378788 LPJRGYVJJKPGOW-UHFFFAOYSA-N 451.325 1.855 30 10 JDEE C#CCN(C)CCCNC(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 1682795434 WZARDTHLXVGSRF-UHFFFAOYSA-N 450.381 1.670 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1689837846 NZLYOOMYBACDRR-UGSOOPFHSA-N 453.362 1.715 30 10 JDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1689944036 IZKDJTGCGMVJAI-ZZEZOPTASA-N 467.917 1.457 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1689981895 CZNPZPPHRFXQJL-SIKLNZKXSA-N 455.540 1.249 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1690012348 ZYILAOPWABSLLP-UHFFFAOYSA-N 451.552 1.449 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N(C)CC 1690103011 ZVMISCDHUSKHNE-SFHVURJKSA-N 462.595 1.957 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1690659520 VOVIJFGPNKUUIO-MGBGTMOVSA-N 467.555 1.601 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C2CCOCC2)C1 1690724525 RAMRTZNOFHWZBY-ROUUACIJSA-N 472.633 1.034 30 10 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1540033867 RXBKBOZXUVQEBC-DLBZAZTESA-N 456.551 1.220 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(n1)CCCC2 1540201455 VDDIOZNOQWKYDL-OAQYLSRUSA-N 490.630 1.572 30 10 JDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 1540858489 YVMLWDLENAKOEM-OAQYLSRUSA-N 458.632 1.620 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1540862085 QTNXZFWSORKTPU-APWZRJJASA-N 471.993 1.837 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1540863945 KGGHLRNMQQVFTG-LBPRGKRZSA-N 450.341 1.015 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(S(C)(=O)=O)CC1 1540866397 MFHFNRBFJOJRCA-UHFFFAOYSA-N 467.979 1.923 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)COC)CC2)nnc1C1(c2ccccc2)CCC1 1540876163 JAYPKSKRWZAVGO-UHFFFAOYSA-N 452.559 1.345 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1540898544 NKCJOHZIIPPBGM-RBUKOAKNSA-N 461.588 1.372 30 10 JDEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)Cc1ccncc1 1548371089 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C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)CN2CCOCC2)CC1 1588871731 OMLWIFWZKOOYDF-FQEVSTJZSA-N 456.566 1.720 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnn(C)c1C 1589496775 ZOANQIDFBHGEPK-ZVZYQTTQSA-N 451.597 1.548 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C 1595166417 SYBCBYMGHLCATE-PMACEKPBSA-N 470.622 1.427 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1595773072 PDPIWWNOUGMARP-UHFFFAOYSA-N 477.587 1.523 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(CC)C(=O)C1 1595812568 YBXISIBMJVOSAL-UHFFFAOYSA-N 471.587 1.176 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccccc1CN1CC[C@@H](O)C1 1611658377 CGOOWTXZBBWFPF-FUHIMQAGSA-N 475.619 1.242 30 10 JDEE Cc1nc(C)c(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)s1 1612380245 ALGLPZILKZOGIG-KRWDZBQOSA-N 479.632 1.667 30 10 JDEE CCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)cn1 1615724026 ATABVCMSMGHZDZ-IBGZPJMESA-N 498.613 1.759 30 10 JDEE C#C[C@H](NC(=O)CS[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)[C@H]1CCCO1 1616963165 CIKMGSUZWXIKKH-NZSAHSFTSA-N 456.568 1.842 30 10 JDEE CS(=O)(=O)N1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)C1 1620168400 FBBDHUXLQNKSJS-YJBOKZPZSA-N 464.523 1.006 30 10 JDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO 1635952663 APSSWUBCVMJEPC-RBDMOPTHSA-N 456.568 1.224 30 10 JDEE CS(=O)(=O)NC1(CNS(=O)(=O)c2cc(Br)ccc2C#N)CCCCC1 1661214686 BYZCNJNZKKLBRC-UHFFFAOYSA-N 450.380 1.851 30 10 JDEE CCN(C[C@@H](C)C#N)S(=O)(=O)NC1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1664045655 BUDJORCKSNVKQG-DLBZAZTESA-N 456.634 1.931 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCOC[C@@H]2[C@@H]2CC[C@H](COC)O2)cc1 1665969030 IYUIYJVELXCHDP-RLLQIKCJSA-N 453.561 1.920 30 10 JDEE CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)C(F)(F)F 1671747274 IDRSTOMMRUSQOL-OAHLLOKOSA-N 451.446 1.351 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCOCC1 1689853410 SGNCSSZQZIPRNO-GBESFXJTSA-N 462.595 1.765 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OCCC)nc1)[C@@H]1CCS(=O)(=O)C1 1689998570 QAQSDWKAULTTKD-RTBURBONSA-N 459.572 1.988 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1690059362 OMAJMGYPRZJUGX-HKUYNNGSSA-N 461.588 1.872 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cscc2C)CC1 1690146049 DOJVLGRULVKKLC-QGZVFWFLSA-N 461.613 1.564 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCC2)CC1 1690313317 QHCZUVLKHXJMEF-FQEVSTJZSA-N 482.651 1.268 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nncn1-c1ccccc1 1690622426 PINSVCDCCOUQCE-KRWDZBQOSA-N 457.560 1.448 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](COCC)C1 1690661622 AYLXYJUQQRZYBJ-QGZVFWFLSA-N 475.619 1.712 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOCC1 1690724773 WGPDEYLOMOTDNJ-KRWDZBQOSA-N 469.608 1.830 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1Cn1cccn1 1690992951 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SMXOOUJOPPHXQO-FVQBIDKESA-N 462.356 1.606 30 10 JDEE NC(=NO)c1cc([N+](=O)[O-])cnc1-n1cnc(I)c1I 380103107 NOJRAVMZRQOOJR-UHFFFAOYSA-N 499.994 1.479 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)CC1 492418960 OVWIGIPDXNMPBH-SFHVURJKSA-N 451.365 1.463 30 10 JDEE CC(C)n1cc(C=NNc2nc(SCC(=O)Nc3nnc(SCC(N)=O)s3)n[nH]2)cn1 1084468742 UILSJOCJZJGXJP-UHFFFAOYSA-N 481.593 1.188 30 10 JDEE N#Cc1ccc(OCc2cccc(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)c2)cc1 1136560954 BUEXDRUOEDWTGR-FGZHOGPDSA-N 455.536 1.365 30 10 JDEE C=C(CN(C)C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1 1137710673 OXWFNPBGOBUCFJ-KRWDZBQOSA-N 452.577 1.355 30 10 JDEE CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)C2 1227631159 FMZKFCCOSGBKQC-KXBFYZLASA-N 450.499 1.646 30 10 JDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC[C@H](C(F)F)N1CCOCC1 1286377687 CFHQCHXSHWULQF-OAHLLOKOSA-N 452.531 1.695 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286380933 KGJGGBAQFFCQNW-PMACEKPBSA-N 490.605 1.485 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccccc1OC(C)C)[C@@H]1CCS(=O)(=O)C1 1286382093 QPBGVOWJGASIOR-LJQANCHMSA-N 473.599 1.879 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1286395261 MJLCANRKPDQJQM-CVDCTZTESA-N 474.583 1.598 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2ccc(C(N)=O)nc2)CC1 1286475212 ZGSPNRWPFUYFKB-UHFFFAOYSA-N 475.553 1.650 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286788661 BESWOZINVZYPIL-UHFFFAOYSA-N 478.532 1.131 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1286791283 XNRDCCLZLBVRHN-QUCCMNQESA-N 452.559 1.337 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286796489 SUMDXLJYRKMAJU-WMZOPIPTSA-N 497.643 1.515 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c[nH]c4cc(F)c(F)cc4c3=O)CC2)cc1 1290637056 ICMYBJUBKYJUOQ-UHFFFAOYSA-N 458.446 1.825 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1292132858 DPTYLUHCFIEHKZ-GDBMZVCRSA-N 457.501 1.809 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCNC(=O)c2cc[nH]n2)c1 1300334269 JOKKGGNAKDICFX-UHFFFAOYSA-N 483.536 1.473 30 10 JDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1300403407 IZEHDKDOPUUYKB-HNNXBMFYSA-N 450.590 1.275 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300487163 HDJVWACJELIVJZ-ROUUACIJSA-N 491.618 1.609 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OC(C)(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1300491535 IHABLSLXNGOREN-IBGZPJMESA-N 483.598 1.926 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(OC)CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1300496097 NZWGBOVFZMZFFC-KLOMGHIOSA-N 498.671 1.402 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCC(=O)NCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300496244 OSZZYIPJTFBOMJ-NHCUHLMSSA-N 485.610 1.853 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)[C@H](C)[C@@H](C)O3)CC1 1300683537 PIWWTMYTNULCSX-FGTMMUONSA-N 472.615 1.576 30 10 JDEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)CC(N)=O 1300741546 ZLYCTEMNMKTMHT-AWEZNQCLSA-N 463.633 1.613 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H]2CCOC2)CC1 1300856363 CBXLDAQZIYMFLN-MRXNPFEDSA-N 453.385 1.468 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccco1 1300989894 HEBHDOHLWBHHSI-AEFFLSMTSA-N 453.565 1.994 30 10 JDEE C=CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)COC)CC1)c1ccccc1 1301165608 ICTSYIQVHDUBRW-VQTJNVASSA-N 452.559 1.884 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccccn1 1301503177 VBTPCGJXWJCRLS-GOSISDBHSA-N 471.562 1.920 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H]2CCS(=O)(=O)C2)cc1 1301518538 JHMDDVZAFIIIMF-WBVHZDCISA-N 483.616 1.125 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1scnc1C 1301612322 LEBXGOXFCHKOGC-HNNXBMFYSA-N 472.662 1.932 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccncc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1301773576 CMCINIDOKVTJKK-DEOSSOPVSA-N 496.593 1.338 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358957715 YUNRKCVRSFZREL-YGOYIFOWSA-N 494.658 1.887 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1358966031 GPCGDLBQWOVUQT-QFIPXVFZSA-N 495.609 1.773 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(OC)nc2ccccc12 1358969601 SFDNGBUUSGNOPO-MRXNPFEDSA-N 452.540 1.566 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 1358994647 SRGYGARQAKCPAF-SFHVURJKSA-N 461.588 1.510 30 10 JDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCO[C@H]1C 1358996982 ZWVHMAPFWFDMAD-WNCULLNHSA-N 476.625 1.646 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2cccn2)cc1 1359024450 NEUWZSDHRSLDLF-IBGZPJMESA-N 454.556 1.500 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCOC(C)C)CC1 1359031742 OANJBHSDVXJMLZ-UHFFFAOYSA-N 460.604 1.376 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCN(C)CC(F)(F)F)CC1 1359043178 KEKVRXVNAVYWCW-UHFFFAOYSA-N 451.497 1.744 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1359043411 SSZRAIKVVOKFDA-FQEVSTJZSA-N 487.555 1.662 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1csc(CC)n1 1359056667 JLZFUVIKLJGKNK-INIZCTEOSA-N 484.673 1.633 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359100135 XTAMSENSZGBERF-LNLFQRSKSA-N 453.609 1.623 30 10 JDEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1359118289 ZKLPYPSJLJTTFN-CQSZACIVSA-N 454.622 1.992 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1359149583 CXUPQVUQULFMCC-GOSISDBHSA-N 457.966 1.420 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2nccs2)C1 1359150663 DCVFREOMERTBAO-KGLIPLIRSA-N 474.996 1.398 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1359304546 APVMXAZFIPRLMF-YLJYHZDGSA-N 458.538 1.455 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1359335256 GCSDKHQNZLDHOY-QGZVFWFLSA-N 477.587 1.524 30 10 JDEE CC[C@H](C)[C@H](NC(=O)Cn1c2c(cc(C#N)c1=O)CN(Cc1ccccc1)CC2)C(=O)OC 1473061847 BQQXKNMNKQDDPR-SBUREZEXSA-N 450.539 1.982 30 10 JDEE COc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1504456293 HVAUWJULJVCSNK-UHFFFAOYSA-N 453.528 1.350 30 10 JDEE COCCN1C[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(C#N)c2)CC1=O 1504899072 CAWFNAFPDXFLPQ-MOPGFXCFSA-N 451.531 1.232 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCn3ccnc3C2)c1 1507547817 NKFQTKCFQKQRIW-IBGZPJMESA-N 474.569 1.932 30 10 JDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1507610941 KCMCXYQAOHNVIO-SFHVURJKSA-N 478.523 1.785 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(F)F)c(OCC)c1 1507617127 QYKADAALAJFUJG-GOSISDBHSA-N 499.540 1.729 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCOCC1 1507654110 VXJDRCZZHFCZJG-JOCHJYFZSA-N 467.595 1.134 30 10 JDEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507828950 PDCVZPFGFHAJIV-UHFFFAOYSA-N 468.558 1.809 30 10 JDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507925610 IPVGAUMWKRCXLG-ZBFHGGJFSA-N 467.596 1.011 30 10 JDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1507967120 BTMLWEFLJDCNSP-SECBINFHSA-N 455.894 1.965 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1508073970 ZVZSTLWPUKYUED-ZWKOTPCHSA-N 489.621 1.946 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1508096547 AUNBNSUVDQDWHU-LISAXSMJSA-N 455.625 1.757 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1508138003 USTBUSOBYLJRCN-HNNXBMFYSA-N 460.564 1.449 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1508139261 FEEUIYOMLZZRCZ-UHFFFAOYSA-N 477.562 1.623 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1508143689 MVKISDFXAUWULA-UHFFFAOYSA-N 472.615 1.969 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCC(O)CC1 1509948510 AQURJOZNRSTALW-RXVVDRJESA-N 486.642 1.924 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)c1 1516761947 NDFSRRCTESIUGH-HSZRJFAPSA-N 455.536 1.520 30 10 JDEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1517761174 FZXZLHRTLMBHTP-RTBURBONSA-N 451.575 1.985 30 10 JDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C[C@H]1C 1519205218 BBZVWQCFLXKRBK-GOSISDBHSA-N 472.615 1.798 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1cccs1)[C@H]1CCS(=O)(=O)C1 1539222201 UKIXOQMLVLRMNY-IRXDYDNUSA-N 496.680 1.846 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539231472 VXKZGNJIAGERLA-DCLXLUIPSA-N 488.610 1.641 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1539343592 NBDGFSUJQIYHTP-PZJWPPBQSA-N 474.631 1.730 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2Cc2nnn(C)n2)CC1 1539434256 FVKPCUNPPPIZJU-UHFFFAOYSA-N 472.351 1.043 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1539444828 VFVWACMLGFGBEG-QFIPXVFZSA-N 479.629 1.652 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCS(=O)(=O)N2CCSCC2)CC1 1539453109 CNMOULMGRCLWAR-UHFFFAOYSA-N 488.683 1.311 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1539476499 YYXLEYDUTVVDIX-NRFANRHFSA-N 453.591 1.596 30 10 JDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1539499312 ICAMUOAOPXQORY-UHFFFAOYSA-N 463.611 1.928 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1539631733 NCIQBSUSLQQXLM-MHORFTMASA-N 467.592 1.438 30 10 JDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1540039655 DOHKFJUXHHVKBS-MRXNPFEDSA-N 459.576 1.418 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1540868672 NFBJWQDBJJYYSJ-OAHLLOKOSA-N 455.544 1.638 30 10 JDEE 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C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 1470489863 RJSSMVPWRHSIKG-ZVDOUQERSA-N 450.605 1.855 30 10 JDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1507557372 LDGWPDPLNCJHFK-HSZRJFAPSA-N 470.599 1.715 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CC(=O)N(CCOC)C1 1507699331 BQVCYRRPTREACG-ICSRJNTNSA-N 468.533 1.503 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(O)CCC[C@H]2C)CC1 1507733562 CXBCENKDHMACQO-MZNJEOGPSA-N 458.607 1.713 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1507791230 JKTRGVOHYAHIOK-KSZLIROESA-N 451.593 1.509 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1507897585 SCCYCIQRFZHELB-QAPCUYQASA-N 478.594 1.774 30 10 JDEE C=CCCOCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507958122 OZRXJWDJAKBBEB-INIZCTEOSA-N 476.484 1.286 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(C(F)(F)F)c1 1507980077 DWYJINWSIFIYBW-AWEZNQCLSA-N 460.482 1.695 30 10 JDEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N1CCOCC1 1508015391 UMJPXDHZZMUHKM-UHFFFAOYSA-N 459.572 1.776 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1508059087 LLYGYEXOBSLYBT-HZPDHXFCSA-N 467.621 1.137 30 10 JDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1508070742 CCZICRYEBBBEEC-IIZPIQPGSA-N 460.623 1.815 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1ncc(Cl)n1C 1508087676 PDDCWSYSJJDDMZ-UHFFFAOYSA-N 467.921 1.919 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(O)CCN(C)C2)C1 1508107828 CFAVQLMTZQCISI-YKSBVNFPSA-N 454.575 1.995 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2C[C@H](C)O[C@H](C)C2)C1 1508127615 VVLNQWJGCNOPPR-IYWMVGAKSA-N 467.636 1.461 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)OCC)CC1 1508135834 MRRXJZNNPOGKEQ-UHFFFAOYSA-N 493.586 1.842 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnc(C)s1 1508161700 MVWFJCZCSCBCGZ-INIZCTEOSA-N 472.662 1.932 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(n1)CCCC2 1509949134 CAYDEHZBGNQUIK-UZLBHIALSA-N 473.603 1.671 30 10 JDEE CN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1517158271 CMEIRBPRXDEZIS-KRWDZBQOSA-N 454.560 1.468 30 10 JDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1539068618 YTJVYPAHMXQVNJ-UHFFFAOYSA-N 456.532 1.179 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1539205743 KDSDEEOQRKSDJF-IBGZPJMESA-N 495.609 1.734 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(C(=O)NCC)c1)[C@@H]1CCS(=O)(=O)C1 1539210956 IINFQWWFTTZAAC-HXUWFJFHSA-N 478.578 1.765 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1539212367 VJZFJYNLIVGRLG-WZONZLPQSA-N 490.582 1.131 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1CCNC(=O)Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1539220022 GTSWHZZAYJTVIL-HXUWFJFHSA-N 473.574 1.670 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1539230928 ROXWHDKSZNEVJO-IBGZPJMESA-N 484.582 1.469 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccc(-n2ccnc2C)nc1)[C@H]1CCS(=O)(=O)C1 1539231749 WBWIXYWAORFLOI-IBGZPJMESA-N 469.571 1.379 30 10 JDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cc(OC)c(OC)c(OC)c1 1539331545 SRALGGFJBCYPGG-UHFFFAOYSA-N 451.527 1.938 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1snnc1C 1539384405 HGLXUJKXJYEYSL-AWEZNQCLSA-N 463.564 1.875 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCOC2)CC1 1539446241 AEAWLMVYYCLAEY-CYFREDJKSA-N 474.606 1.299 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2c(CC)noc2C)CC1 1539459521 IBFFLZNGVAIZLR-UHFFFAOYSA-N 453.572 1.932 30 10 JDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1539510998 OZCPIPUQSLTZMV-SFHVURJKSA-N 489.671 1.909 30 10 JDEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC(=O)N(C)C[C@@H]1C 1539525125 UIVBYGGUXHIBBW-NRFANRHFSA-N 481.670 1.676 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C)CC1 1539631488 LEZYYFRDFPLISG-FHWLQOOXSA-N 451.593 1.749 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1539823877 LLNLYGIMDOQGMZ-QGZVFWFLSA-N 450.971 1.822 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1540865534 JYVGZBQSKAVWHG-XXBNENTESA-N 490.612 1.498 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](C)C1 1540869576 QIUAHAGXHFMATJ-CALCHBBNSA-N 465.558 1.981 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1540871699 RFXPWOGRQIVPPT-SFHVURJKSA-N 488.614 1.208 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1540872224 HJHZHIKQBZBYQJ-SFHVURJKSA-N 480.548 1.708 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1540898313 GMTFULJROMFBOI-OXQOHEQNSA-N 494.639 1.953 30 10 JDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCSCC2)CC1 1545712596 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C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1588074070 IGPAFMIXIIQYHU-NSHGMRRFSA-N 477.587 1.476 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCN(CC)C1 1588099624 SOJJWBCMJGHJBO-LJQANCHMSA-N 454.600 1.610 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c(c1)OCCO2 1588384862 CQNURJRPYNRXCW-HXUWFJFHSA-N 475.571 1.084 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)c1ccco1 1588593977 DKZGFEPOORGWOU-QFIPXVFZSA-N 458.540 1.935 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(Cl)nc2)n1 1588724041 SXSHQCDDVUOTME-SFHVURJKSA-N 468.949 1.809 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1588890553 BVAQYHQQOOHUHF-SPLOXXLWSA-N 491.390 1.541 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC(=O)Nc2ccccc2)CC1 1588891713 SEQPWQXEOQLWMN-SANMLTNESA-N 494.596 1.925 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCN2CC)CC1 1588899213 MTQAWFNPPOUXMO-OAQYLSRUSA-N 498.653 1.799 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](Cc2ccccc2)OC)CC1 1588924192 WYZDIYAZIVDRNA-JOCHJYFZSA-N 461.570 1.902 30 10 JDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1589089602 UDICFNYYRWDGLJ-UHFFFAOYSA-N 462.645 1.881 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2OCCOC)CC1 1594097363 RUSLCLXKIIISQR-OAQYLSRUSA-N 491.614 1.841 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1595884406 LMAKZFKFEHIINZ-KBPBESRZSA-N 481.566 1.604 30 10 JDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F 1626313590 QHAZXAINNDNZEG-INIZCTEOSA-N 457.524 1.617 30 10 JDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)c1 1650854399 CIVPIQMCBRMMMW-GOSISDBHSA-N 452.536 1.979 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 1658319765 AQUAVWOXZJQKCZ-APWZRJJASA-N 457.574 1.351 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CCOCC2)C1 1689930527 TVLBDQFGDRELSF-SFHVURJKSA-N 451.593 1.421 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(C)COCCO1 1690025172 HMOUDSFGEAOFMD-SANMLTNESA-N 462.598 1.521 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1690099815 MMXNIXBGXDKYJO-UHFFFAOYSA-N 463.590 1.350 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCC(C)(C)C2)CC1 1690134867 IWCBNTPVJWUSHC-UHFFFAOYSA-N 469.634 1.602 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CCCC2(C)C)CC1 1690375422 KQOQFOJWDNEQAK-UTKZUKDTSA-N 453.609 1.709 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1690558086 DNPDLOVTZULQKD-HSZRJFAPSA-N 484.582 1.128 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1ncnn1CC(F)F 1690669908 RXQQOFIVQFSHIT-UHFFFAOYSA-N 484.471 1.389 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1690673014 LBVPPBQRJPFESV-LJQANCHMSA-N 493.033 1.829 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(c2nc(C)no2)CC1 1690675120 PPBRWECOWREYIK-UHFFFAOYSA-N 470.559 1.647 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1690723498 TZZKSKFRVHIMNO-IXDOHACOSA-N 494.618 1.133 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1690724068 HLKZGRFMOSFKSI-RTBURBONSA-N 488.614 1.941 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1690725560 URMOAXWTCOVPQD-QFIPXVFZSA-N 459.572 1.337 30 10 JDEE CO[C@@](C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)C1CC1 1697102010 ATVVMQFUYVNUEK-QFIPXVFZSA-N 474.587 1.625 30 10 JDEE COc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cc1F 1697416776 HQRXTLXZJNAVON-DJJJIMSYSA-N 454.503 1.721 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCn2ccnc2C)c1 1705506687 FUKGOZQQBYQPSC-FQEVSTJZSA-N 495.609 1.832 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1705567425 WDTQIKLHDUWIHX-KDOFPFPSSA-N 479.509 1.213 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2OCCOC)CC1 1705631709 NYCBFPBVMWYQII-UHFFFAOYSA-N 452.559 1.343 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCC(=O)N2CCCCC2)CC1 1705648331 RDGIAZDRMQJLQL-FQEVSTJZSA-N 456.591 1.888 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCN2CCCO[C@H](C)C2)CC1 1705649052 IPECREFYEFXEDZ-HXUWFJFHSA-N 465.602 1.807 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C)C(=O)C1 1705931835 CALCEVSXIAOIRD-UHFFFAOYSA-N 455.544 1.010 30 10 JDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1(CS(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1711026041 CNLBEFOVQQFSDC-KRWDZBQOSA-N 463.585 1.265 30 10 JDEE COC[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1712137964 HDZJPGKBTRJKOL-SJORKVTESA-N 476.578 1.800 30 10 JDEE N#Cc1cccc([C@H]2CN(c3nnc([C@H]4CCOC4)n3CC(=O)NCC(F)(F)F)CCO2)c1 1712878267 BLOMLQHSCDIURK-DLBZAZTESA-N 464.448 1.910 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1722364309 KQTUEGIOPGBPBH-CVDCTZTESA-N 473.599 1.697 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1722365252 MDSWSGWVGFXFSM-WMZHIEFXSA-N 457.600 1.832 30 10 JDEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1722366632 RXXHQOYOBJKYFR-KRWDZBQOSA-N 494.415 1.813 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(OC)CC1 1722395875 CNSVSQFZIXMPJO-SOAGJPPSSA-N 463.604 1.279 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722462641 PNBLJUFIBHXFBL-HNNXBMFYSA-N 482.657 1.106 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cnn(C)c2)CC1 1722463090 WTNZRDMYPCWDBF-UHFFFAOYSA-N 470.628 1.696 30 10 JDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1722483250 BGSAAEPVUBSTAQ-HZSPNIEDSA-N 460.398 1.612 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1722573997 FLCGAWQTTYJQQM-MSOLQXFVSA-N 453.657 1.317 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722693490 PRXLOBDYIUEWOR-HNNXBMFYSA-N 488.545 1.550 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(C)C)CC1 1722695396 BMIUNXOLXTWCNT-UHFFFAOYSA-N 450.551 1.001 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)COC)CC1 1722702750 QRNAHKIBHUIGBP-UHFFFAOYSA-N 456.547 1.071 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ncccn2)CC1 1722703373 ZVLSRKNALNNWJQ-IEBWSBKVSA-N 454.579 1.616 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=O)NCC(F)(F)F)C1 1722711598 VLRNPHHNXUEVLS-DNVCBOLYSA-N 461.485 1.779 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)N1CCCCC1 1722867564 GYSADTWXHUGRLM-GUDVDZBRSA-N 467.640 1.471 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1740625056 NNRUSBHMWKBOQL-NRFANRHFSA-N 452.584 1.862 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1740688333 DPPNVTWXQPQUFG-NRFANRHFSA-N 453.566 1.711 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCOC2CCOCC2)CC1 1740708493 RFVYHRGYEBXUFN-UHFFFAOYSA-N 483.617 1.691 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1740752164 UEMGCZDMSZDWFH-AFDCHOCNSA-N 496.678 1.417 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(=O)COC)CC1 1740765446 XJNYTVBAJCQFOJ-HXHBTQRASA-N 477.606 1.715 30 10 JDEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1740844317 HMCYMIXVTVKDFN-IBGZPJMESA-N 490.630 1.749 30 10 JDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740874940 LSHBXGJZACLVKT-QGZVFWFLSA-N 495.675 1.970 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](CN2CCOCC2)C1 1740960828 CPWXRVOKGJRACR-KRWDZBQOSA-N 460.529 1.608 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1740962069 RNYLLSZUGYHFNC-UHFFFAOYSA-N 463.590 1.239 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCS(C)(=O)=O)cc1 1740968042 YOIOMBRLHBTAGS-KRWDZBQOSA-N 468.601 1.274 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1740994240 LIMJNMZEPZIPQJ-IBGZPJMESA-N 473.599 1.967 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](OC)C[C@H]2c2nnc3n2CCC3)nnc1C(C)(C)C 1740995803 XUEPGYTYDTZDPL-CVEARBPZSA-N 463.608 1.681 30 10 JDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS(=O)(=O)CC1 1740996804 ITZSJZBNFIGHBB-UHFFFAOYSA-N 456.615 1.503 30 10 JDEE CC(C)(C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1741207439 BDRUBHHWOXTWSP-UHFFFAOYSA-N 479.589 1.412 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1748731595 HJWKKNQDDCVEQZ-MRXNPFEDSA-N 461.588 1.924 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(Cn2ccnc2)c1)[C@@H]1CCS(=O)(=O)C1 1748803412 YLUNIYAVYWSRIL-OAQYLSRUSA-N 495.609 1.336 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCNS(=O)(=O)CC)CC1 1748979791 NAMFWGPWSVFOOG-QGZVFWFLSA-N 476.672 1.826 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCN(C)CC(F)(F)F)CC1 1748986701 HNLJXRJULOKHDI-UHFFFAOYSA-N 488.518 1.441 30 10 JDEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749047683 CLDIJNNABZVINP-MRXNPFEDSA-N 484.561 1.895 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1749368963 VESDGXXSCWOVJF-SELNLUPBSA-N 497.662 1.988 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1749649968 DZIVEVRUUKNOAB-UHFFFAOYSA-N 452.441 1.090 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](Cn2cccn2)C1 1749655963 VMKGXLGDPLRJGK-HNNXBMFYSA-N 475.351 1.440 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1749677758 JVRAZYTVWPGLHZ-AWEZNQCLSA-N 477.363 1.624 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](NC(C)=O)C1 1749741105 PQEWJAOPGNPRGN-GUDVDZBRSA-N 467.636 1.902 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCN(C)C1 1749830135 DTDLOQQGWPZTAL-NTKDMRAZSA-N 491.637 1.826 30 10 JDEE Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCNS(C)(=O)=O)c1 1751447342 GEYIDZWXSGDYMD-KRWDZBQOSA-N 462.576 1.567 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1760181453 VUDYHOHTKGAYPX-ZUQCGGBESA-N 486.623 1.731 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1760192780 NLQJUARNJDIUOR-MRXNPFEDSA-N 463.535 1.101 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccc(F)cc1 1760205977 OLNJZSXKLWWVQD-UXHICEINSA-N 475.546 1.211 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1760248627 OZLGZEJRLAWFTA-OAQYLSRUSA-N 464.570 1.990 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1760257704 FPMIABOLVFRJQA-UHFFFAOYSA-N 461.570 1.554 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(C)COCCO2)CC1 1760259289 JZBXAHKABSYSKJ-CPJSRVTESA-N 488.633 1.953 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(C(=O)NCC)c2)CC1 1760263888 STWGEJGIQSRNOV-VXKWHMMOSA-N 466.586 1.555 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)c2ccccc2)CC1 1760268726 WKILUYOTAUAMHP-UHFFFAOYSA-N 478.578 1.780 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1760514513 HYCSIDMENBBDIW-UHFFFAOYSA-N 453.547 1.508 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760518691 ZMWRAEUKOSOWDN-INIZCTEOSA-N 462.938 1.251 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1760524995 QAMJYRBGIPLTOI-YADARESESA-N 477.617 1.819 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1760555891 QBKABEKAUWLCHP-AEFFLSMTSA-N 476.578 1.684 30 10 JDEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760566885 IHPUMNPPNZPRRD-UHFFFAOYSA-N 488.633 1.908 30 10 JDEE CCc1ccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2CCS(C)(=O)=O)cc1 1762598310 DJHPSNQWLOIQQV-QGZVFWFLSA-N 480.598 1.929 30 10 JDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)CC1 1768274962 FCNDQJIBGODZLB-UHFFFAOYSA-N 459.576 1.249 30 10 JDEE COc1cccc(C2(Cn3c([C@@H](C)NS(C)(=O)=O)nnc3N3CCO[C@@H](C#N)C3)CC2)c1 1770312401 GXQLGMDXQRQDSW-QAPCUYQASA-N 460.560 1.357 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc(Cc3cccnc3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1771529012 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CC1(C)OB(c2csc(C(=O)N3C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C3)c2)OC1(C)C 2281970690 RKKGLBQPCYLCPK-ZYHUDNBSSA-N 475.298 1.042 30 10 JDEE Cn1cc(C(=O)N2CCC[C@](CO)(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281974395 XHZOTMFZUDDZLB-QFIPXVFZSA-N 464.372 1.211 30 10 JDEE Cc1nn(C)c(C(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2281990690 QAJIUWPEGNSRJO-HZPDHXFCSA-N 460.384 1.967 30 10 JDEE CN([C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282349273 WKDFOTAOILPEIT-MIFYACCESA-N 482.412 1.205 30 10 JDEE CO[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@@H]1NC(=O)OC(C)(C)C 2282535543 PPEWFLHJMQUXML-JKSUJKDBSA-N 465.331 1.884 30 10 JDEE Cn1ncc(C(=O)N2CC(COCc3ccccc3)(C(=O)O)C2)c1B1OC(C)(C)C(C)(C)O1 2284452190 BWPFTBWGAHIUQZ-UHFFFAOYSA-N 455.320 1.463 30 10 JDEE CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2289799789 CJVLKEIUGWAKFO-AWEZNQCLSA-N 466.344 1.587 30 10 JDEE 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C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286397257 YMAVMZJZMOOIIW-TUFLPTIASA-N 479.647 1.646 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2cccnc12 1286447200 KFYHSKHHKROIKT-IBGZPJMESA-N 454.556 1.667 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCS(=O)(=O)C1 1286454552 KDPGYZCGOOMVAL-RDJZCZTQSA-N 483.591 1.102 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1N1CCOCC1 1286467947 XSLBEPIJICEXME-HXUWFJFHSA-N 473.599 1.151 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncn(C)n1 1286522886 PJWRULHEALUQTG-OPAMFIHVSA-N 456.551 1.755 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286561165 LXCGQNWPWXVKQV-XLIONFOSSA-N 475.619 1.967 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)OC(C)(C)C1 1286711030 HKXOHSVZYFCGNJ-DLBZAZTESA-N 457.597 1.207 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1286776362 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C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1301474646 DQODGOPTEDWZEC-JKSUJKDBSA-N 463.583 1.458 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1301501426 WXPNSQFAENNPGE-IBGZPJMESA-N 470.574 1.424 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@]3(C)C2)cc1 1301519046 POLDYCTZFDPUQV-AOMKIAJQSA-N 490.586 1.532 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1301531572 QLVNUBRPWARFFN-FQEVSTJZSA-N 454.575 1.605 30 10 JDEE COc1cccc(C(=O)NCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@](C)(C#N)C2)c1 1315544380 ACPVKTVDORGWHT-QHCPKHFHSA-N 453.547 1.985 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1358913690 VRHNUALZZWWKKT-PMPSAXMXSA-N 479.525 1.571 30 10 JDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1358918033 JBNPOYMUKKJZMB-UNMCSNQZSA-N 458.607 1.550 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358958948 YUDBAPLURNCBSG-IBGZPJMESA-N 492.001 1.474 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1358962051 JJHOWWJEWDUDBS-OAHLLOKOSA-N 463.560 1.305 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1C[C@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1358962489 QQGOLGBFRQZBKH-ZWKOTPCHSA-N 454.618 1.530 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(C(OC)OC)c1)[C@@H]1CCS(=O)(=O)C1 1358964261 WKXGULWDKOXNDJ-WOJBJXKFSA-N 474.583 1.748 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358964700 FHYYPUBYIQVPPN-FQEVSTJZSA-N 489.617 1.746 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1358966476 PTIFIDDXVFNBNJ-NRFANRHFSA-N 476.562 1.993 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)N(C)C 1358986716 FJWKEEYQRZZIHA-UHFFFAOYSA-N 453.366 1.390 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC(F)F)c1 1359024635 RQDIEBIGTKYJAH-OAHLLOKOSA-N 455.487 1.311 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2[C@@H]2C[C@H]2C(C)C)n1 1359028639 YTGIYJMQZAWBIT-YZGWKJHDSA-N 460.604 1.880 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1359044540 IOQDDYACOCWTSO-YSIASYRMSA-N 456.591 1.790 30 10 JDEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359128907 JNVKEXRXBARFDA-MRXNPFEDSA-N 474.949 1.347 30 10 JDEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359225631 FPJHENORNHCTIY-KRWDZBQOSA-N 467.530 1.528 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(C)o1 1359301054 QLUZLAALWCPQQL-WMZOPIPTSA-N 478.575 1.156 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359304644 DWYOQHDKIRIZAX-QFIPXVFZSA-N 495.584 1.488 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1359305270 XWPFMFMGMHWCLH-UHFFFAOYSA-N 465.583 1.837 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1359331555 CPBPZGBQKDPICS-NHCUHLMSSA-N 486.642 1.931 30 10 JDEE C=CC1(CC(=O)N2CCCS(=O)(=O)C[C@@H]2c2cnn(C)c2)CN(C(=O)OC(C)(C)C)C1 1455695472 PNRNMLOQKUTDEX-QGZVFWFLSA-N 452.577 1.922 30 10 JDEE Cn1cc(CNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)c(-c2ccc(C#N)cc2)n1 1458851270 BFWJGOBACNBPNN-UHFFFAOYSA-N 452.515 1.654 30 10 JDEE COc1ccc([C@H](C)CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cc1 1504145037 GSNMZJFYQLLWJA-GPMSIDNRSA-N 462.576 1.819 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-n2ccnc2)c(F)c1 1507537497 IKPVNVAQXNUWMY-UZLBHIALSA-N 487.561 1.442 30 10 JDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507561424 BEKBPSPYIXOJRP-KRWDZBQOSA-N 469.575 1.194 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1507588046 FDUGCVTVEACCRJ-JKPODABLSA-N 493.655 1.959 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1507624825 DZDPFTIIEWBXTN-NQIIRXRSSA-N 463.991 1.292 30 10 JDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1507631969 WBQHNVPUKIWTKW-QTYPKTMWSA-N 486.623 1.526 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1507635252 QOTRIEBHCUBWSW-JWRCQZCYSA-N 466.654 1.858 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1cccc(C(F)(F)F)n1 1507679890 STDMVTWUEPWEFE-CYBMUJFWSA-N 460.482 1.841 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C(N)=O)c1)C1CC1 1507992787 IYZNWYCWHYDQIL-IBGZPJMESA-N 474.587 1.107 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1508072130 FBJPAKXJZOZPIC-OAHLLOKOSA-N 492.577 1.429 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1508086903 PVWYEWDTYCXVKQ-CYBMUJFWSA-N 486.445 1.954 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1508090973 KQZQRKCQOYVGET-YJBOKZPZSA-N 481.525 1.339 30 10 JDEE C=CCNC(=O)Cn1c(N2CCCN(c3ncccc3F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1508099113 UQVYNHCUGMINAA-DEOSSOPVSA-N 487.580 1.872 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cnn(C)c2)C1 1508119544 XAFPDVYARSWUCS-IBGZPJMESA-N 471.587 1.759 30 10 JDEE C#CCN(CC1CC1)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1526141284 GPEURXRUYMYHPL-UHFFFAOYSA-N 451.976 1.825 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)C1=O 1528047639 UDSYWZNTPQRFJJ-BLLLJJGKSA-N 450.289 1.714 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCN2CCOCC2(C)C)c1 1539040140 NKWDOFAJMUBMOX-UHFFFAOYSA-N 474.569 1.902 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCNC(=O)c1cc[nH]n1)[C@H]1CCS(=O)(=O)C1 1539210526 CMVFVFPMMWOGME-KRWDZBQOSA-N 487.973 1.378 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCN(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1539212301 UKZQNHLHWIGLIX-QGZVFWFLSA-N 466.007 1.803 30 10 JDEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1539221135 YNUPPNMXSVSWFO-YLJYHZDGSA-N 460.556 1.842 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1539221529 PEUNAMFAUZDBAS-IRXDYDNUSA-N 451.593 1.309 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1539222670 XAUIYJUBLFMZHU-MAUKXSAKSA-N 463.510 1.377 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCN1CCCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539222892 XZDWCCNOUQKPLB-NJYVYQBISA-N 479.647 1.647 30 10 JDEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1CC1(O)CCS(=O)(=O)CC1 1539382795 SEZCSLCEYJDYPI-UHFFFAOYSA-N 452.964 1.910 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CC=CCO2)n1 1539424032 JMBTZKUJKIFQHB-AZUAARDMSA-N 474.587 1.008 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCNC(=O)c2occc2C)CC1 1539489064 QAQSLORSWKRCPI-UHFFFAOYSA-N 495.584 1.088 30 10 JDEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCN1CCOCC1 1539511536 YOVPZBRPNHSFAT-UHFFFAOYSA-N 481.626 1.810 30 10 JDEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1539685173 VDCMDQXBNMRTIR-IBGZPJMESA-N 465.562 1.946 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1539688911 VZXRJGFYXFXNKX-IBGZPJMESA-N 474.631 1.930 30 10 JDEE C=C(C)Cn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539723104 ODXSQGZBCUGPPN-HSZRJFAPSA-N 460.579 1.166 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCNC(=O)c2cccc(O)c2)CC1 1539829059 SYYMCPQQTGKESK-INIZCTEOSA-N 462.576 1.570 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCC(C)CC2)CC1 1539848503 POZVLFQFCWCHOR-IBGZPJMESA-N 452.625 1.499 30 10 JDEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1539982188 LXPKCFXMWYKRQB-KRWDZBQOSA-N 498.563 1.990 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1540871048 CBNDXAYZZQHMOT-AEFFLSMTSA-N 463.535 1.199 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1540903294 BBWGXMQCSBZCRT-FOIQADDNSA-N 467.617 1.619 30 10 JDEE CNC(=O)[C@H]1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)CN1C(=O)CNC(C)=O 1548379932 LZABBWHBOASHEA-GOSISDBHSA-N 465.476 1.647 30 10 JDEE N#CCCN(CC1CC1)c1nnc(CN2CCCC2=O)n1C[C@H](N1CCOCC1)C(F)(F)F 1555995454 HVLIZUGUIIKWBJ-KRWDZBQOSA-N 469.512 1.794 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCNS(C)(=O)=O 1587620448 FECLDMGYEONVBN-HNNXBMFYSA-N 457.560 1.072 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1587765828 KYBLRTNVMSHHEX-IBGZPJMESA-N 471.583 1.652 30 10 JDEE C#CCCCn1c(N2CCN(CC(=O)N3CCCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1587893786 ICEXZURJYYJSLT-XMMPIXPASA-N 458.607 1.478 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1588069846 TZMNJCMXKWEAFT-VVESCEMWSA-N 492.573 1.553 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C(N)=O)CCCC1 1588099021 GGDWLODJXRJLON-UHFFFAOYSA-N 468.583 1.314 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCOC[C@H]2OC)CC1 1588947685 STKROWPJWRHHKD-FYYLOGMGSA-N 481.597 1.895 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1589658237 WIZHUEMJDQHJOA-CVEARBPZSA-N 465.542 1.846 30 10 JDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1593620793 ILCVYGIWHSXVKX-UHFFFAOYSA-N 467.621 1.332 30 10 JDEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(C)(=O)=O 1593746765 MKWQPBLFBWDQKV-QGZVFWFLSA-N 487.623 1.660 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC(=O)N(C)[C@H](C)C1 1595501175 NHIYUPKTVQSYOH-LLVKDONJSA-N 453.366 1.738 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1595745842 XIFLHHNNMVDVNY-SFHVURJKSA-N 474.587 1.138 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1595796701 BRVLADTYQDBRTE-QGZVFWFLSA-N 469.608 1.830 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1595812694 YZIDYCIGQAIVFW-MRXNPFEDSA-N 450.565 1.916 30 10 JDEE CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CN1CCc2c(sc(N)c2C#N)C1 1620642665 DVYWWQVWOPSXQC-UHFFFAOYSA-N 459.597 1.790 30 10 JDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)c1ccc(Br)c(F)c1 1634738791 GLIIPSIXGITCEC-UHFFFAOYSA-N 454.277 1.626 30 10 JDEE C#CCC[C@@H](O)CNC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1665578711 HYBGVDQPXWVNRW-QGZVFWFLSA-N 452.577 1.450 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC)c1OC 1689850863 IHXFJFWEDFQRBN-DOTOQJQBSA-N 462.572 1.907 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1689982985 YKCLKNJMMJVQLL-FXAWDEMLSA-N 456.634 1.699 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccco1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1689988292 MERUGJOJLCWFDN-FHWLQOOXSA-N 488.614 1.532 30 10 JDEE C#CCN(c1nnc(CC)n1Cc1ccc(C(=O)N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1689993002 SUIOKTVISYRNEC-HXUWFJFHSA-N 457.600 1.998 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCO1 1690091253 NBVXHSBISCQLQM-NFBKMPQASA-N 491.589 1.959 30 10 JDEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCN(S(C)(=O)=O)CC1 1690184879 PJDKIXBKASESAE-UHFFFAOYSA-N 463.629 1.868 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1690663117 MKYSQTLRNNBNLD-NRFANRHFSA-N 467.618 1.861 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1690676399 YVTFKWXDZCHJTR-UHFFFAOYSA-N 459.514 1.148 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC(C(=O)OC)CC1 1690725391 OJALRZSNXQHHIU-UHFFFAOYSA-N 462.572 1.868 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1690730201 ZTRCHMKLXGODJK-QGZVFWFLSA-N 451.936 1.840 30 10 JDEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)C1 1695977993 GBUVHAZIFJTDPX-AUSIDOKSSA-N 453.547 1.598 30 10 JDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)CCN1S(C)(=O)=O 1698453546 ANYQFPIVHKQLOL-SFHVURJKSA-N 487.630 1.398 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Cn1cccn1 1705494798 GAZOQNSORMIROQ-RXVVDRJESA-N 483.598 1.362 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1705561377 PLMRBUWZYHCZSO-PGRDOPGGSA-N 468.620 1.497 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1705563236 SZJFTOKYBJARGC-CQSZACIVSA-N 459.906 1.902 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1705563389 WPBMISOUIBCJNE-OXQOHEQNSA-N 467.979 1.408 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cnn(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 1705571636 DPYCRBFNZHPTKR-VQTJNVASSA-N 460.604 1.966 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCc2cnn(C)n2)CC1 1705633864 ACUCBXNEXSFSBV-UHFFFAOYSA-N 472.395 1.563 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCNC(=O)c2ccco2)CC1 1705645975 LWWBEGMCRVMXQV-UHFFFAOYSA-N 476.537 1.943 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1705648754 YCMCAQVOKMNBGX-HXUWFJFHSA-N 483.569 1.176 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(O)(CCC)CCC)CC1 1705648796 YXWJRUPEUBUQEE-IBGZPJMESA-N 479.647 1.477 30 10 JDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1705885773 LHXSLPOBOWCCPS-UHFFFAOYSA-N 465.489 1.978 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1705900974 WELYSFVHRHFMMP-UHFFFAOYSA-N 481.557 1.612 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2cnccc2c1 1705902344 CIAHKYWHGTVPRR-LJQANCHMSA-N 454.556 1.667 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1705906920 SRLKFKGTFUGHGK-UHFFFAOYSA-N 472.565 1.847 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1705928376 PJHJXXOVKSZDCJ-MRXNPFEDSA-N 484.623 1.463 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCOc2ccc(Cl)cn2)cc1 1712880399 IFAVLGOVHDHFDK-UHFFFAOYSA-N 453.890 1.792 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CN1CCCCC1 1722296620 SPZFDLPTVLDGJP-CEXWTWQISA-N 452.625 1.191 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H]2NC(=O)CC2(C)C)c1 1722310632 XWHCFFYIJXNKRH-IBGZPJMESA-N 460.542 1.650 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722360065 CSAHLNQFTSFQML-AZUAARDMSA-N 452.540 1.750 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1722371358 VNAFLWWKYOLLLA-UJQZNKFNSA-N 494.614 1.924 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@](C)=O)CCC1 1722378677 HBFSBHQPPCNONJ-HKBQPEDESA-N 458.613 1.612 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2ncn(C)n2)CC1 1722449099 GOLNJEJMCBNYBI-UHFFFAOYSA-N 462.558 1.215 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1722451698 MWQCSAFHKUCIIY-LBPRGKRZSA-N 467.539 1.603 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCCN2CC)CC1 1722453058 NUHFYXRLZIUZBS-BDTNDASRSA-N 472.634 1.842 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722501150 WEDNWKDHVXLRHJ-QIJZPMMNSA-N 497.662 1.844 30 10 JDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1722536649 YDEVWKQSJBCUBV-NRFANRHFSA-N 460.560 1.893 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)c(O)c2)C1 1722717438 AWYPLVYTXXSAOE-FXAWDEMLSA-N 493.586 1.155 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1722727038 FLLWXSOIEWQINU-IERDGZPVSA-N 450.536 1.620 30 10 JDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1730995836 BODIJCXEOJLDTA-HKUYNNGSSA-N 492.627 1.112 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740615333 BENHGKNOPVTAJF-IRXDYDNUSA-N 496.634 1.346 30 10 JDEE C#CCN(c1nnc(COCC)n1CCc1cnn(-c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 1740626375 ARRAQDZLRMGGRX-NRFANRHFSA-N 468.583 1.870 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1740629285 IGZQXZMNFAXNPF-HBMCJLEFSA-N 479.647 1.361 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C)nc(N2CCCC2)c1 1740645252 BZKJTGWVMPJHSH-LJQANCHMSA-N 469.615 1.703 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1740647963 ACBBDISYXBNZLU-RTBURBONSA-N 492.646 1.998 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@@H]2NC(=O)CC2(C)C)n1 1740688219 CBAUQOREIUICMQ-PMACEKPBSA-N 469.590 1.917 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCCN2CCC[C@@H]2CO)CC1 1740693821 OBAHFTOAMLTUIB-OAQYLSRUSA-N 452.603 1.946 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1740696430 ULCBAEQNCGHIQS-SFHVURJKSA-N 488.580 1.210 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(Cn2cncn2)CC1 1740963963 CKPMRTZCJIAKAV-UHFFFAOYSA-N 454.510 1.807 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc([C@@H](C)O)cc2)C1 1740983016 ZPAQHBOQSISGGX-UIFIKXQLSA-N 491.614 1.494 30 10 JDEE Cc1nccn1CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1742636161 FXRQQKMSMLLXTK-LJQANCHMSA-N 476.607 1.336 30 10 JDEE CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1747419416 AWQVYTIMTJNOIJ-IBGZPJMESA-N 472.571 1.285 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1747603171 FLQPXTSFRYDMCV-LJQANCHMSA-N 488.614 1.730 30 10 JDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1748698258 RWBZPHRLIOYUBQ-UHFFFAOYSA-N 452.519 1.947 30 10 JDEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCS(=O)(=O)N1CCSCC1 1748780865 OPYJBYLKWUYUEB-UHFFFAOYSA-N 479.628 1.800 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1c(C)cccc1C 1748929249 HGGGZPHWKTYQSQ-IBGZPJMESA-N 461.588 1.766 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1748983182 LGCAXOYQOKBYNW-UHFFFAOYSA-N 468.583 1.900 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(C)(C)C(=O)NCC)CC1 1748989329 LBNNLZVBTUQCJR-UHFFFAOYSA-N 479.633 1.370 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CCN2CCCS2(=O)=O)CC1 1749000621 ZWFGFNKNINOWAX-UHFFFAOYSA-N 488.614 1.047 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC[C@@H]2COCCO2)CC1 1749019458 UXDGRRCBCATJPX-OAQYLSRUSA-N 471.533 1.768 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccnn1C)C1CC1 1749268742 GKKHHAQOBZVCEZ-INIZCTEOSA-N 455.972 1.266 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1749693159 GYMHJYRWPIIWFS-ZWKOTPCHSA-N 468.549 1.651 30 10 JDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N2CCSCC2)CCCO1 1752311754 FSAVECNRIFVXDN-KRWDZBQOSA-N 476.628 1.811 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccnc(SCC)c1)[C@@H]1CCS(=O)(=O)C1 1760187254 ISXXIDVGVSZJIP-ZWKOTPCHSA-N 461.613 1.964 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1760192741 XPWPVUOVDXIYJJ-HXUWFJFHSA-N 453.572 1.372 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccccc1Cl 1760232934 GHNDLATTYNBTCC-GHTZIAJQSA-N 482.006 1.632 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1760268688 OMEVOLJPQRMZHS-ZJOUEHCJSA-N 483.661 1.952 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1760269211 BQFPXMXGEVJJNJ-CEWLAPEOSA-N 491.658 1.741 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCC(F)(F)CC2)CC1 1760269266 CUKREEVEDLOJCY-SFHVURJKSA-N 483.585 1.972 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760307384 QJFYBAPVOHAIQH-IAGOWNOFSA-N 467.412 1.824 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)nc1 1760329475 BZMZBDOBYRXLPW-QGZVFWFLSA-N 463.608 1.571 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CC 1760480217 OEOKKYYSIWEPEO-REWPJTCUSA-N 488.614 1.836 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2ccccc2)C1 1760555167 YZZWDBDSAQQKAI-OALUTQOASA-N 464.613 1.775 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCC(C(=O)NC)CC1 1760557400 KMNKVXJKAUDFSJ-UHFFFAOYSA-N 461.588 1.729 30 10 JDEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760560689 BZULRSZLRAJABS-MRXNPFEDSA-N 472.571 1.029 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1760574373 INVYPABBWXCLDW-XDOYNYLZSA-N 466.546 1.257 30 10 JDEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 1765497075 GMMCOILAZGBZJO-NRFANRHFSA-N 493.660 1.053 30 10 JDEE COc1ccncc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1769007381 GGKWOVLVMJEQCH-UHFFFAOYSA-N 474.569 1.915 30 10 JDEE COCc1nc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)cs1 1770868675 ARZJBYAMEFMKIO-SCLBCKFNSA-N 453.594 1.670 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1772564580 DGEWQROZYQVWAF-FQEVSTJZSA-N 490.630 1.764 30 10 JDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Br)cc1 1865728382 FTKCOQQMXCTYAP-HNNXBMFYSA-N 487.354 1.742 30 10 JDEE CS(=O)(=O)CC[C@H](C(=O)Nc1ccc(C#N)cc1[N+](=O)[O-])N1C(=O)c2ccccc2C1=O 1865984565 QGKAWPBAJPOKFQ-MRXNPFEDSA-N 456.436 1.504 30 10 JDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NS(=O)(=O)c3ccc(Br)cc3)cc2C1=O 1870098377 BALKELHTLHIZPY-UHFFFAOYSA-N 487.295 1.928 30 10 JDEE C=CCn1cc(OCC(=O)Nc2ccccn2)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870499295 JBVXGUKFDIKPID-UHFFFAOYSA-N 461.526 1.559 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)Cc3cc(OC)c(OC)c(OC)c3)CC2)CC1 1890449284 IIFCSHIGAIRTPG-UHFFFAOYSA-N 473.614 1.903 30 10 JDEE CC(C)(C#CC(=O)N1C[C@@H]2[C@H](C1)CN(C(=O)OC(C)(C)C)[C@H]2CO)NC(=O)OC(C)(C)C 2220101253 ABHDKCANGGKZRZ-ZACQAIPSSA-N 451.564 1.979 30 10 JDEE CO[C@@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255811913 TXZYLEMSLFRMEZ-QWHCGFSZSA-N 453.370 1.806 30 10 JDEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255947465 BCGPIPLAUDAYHT-LJQANCHMSA-N 476.426 1.601 30 10 JDEE CC(C)(C)OC(=O)N1CC(CNc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)(C(N)=O)C1 2266057861 LHGHJAOLTGIUJC-UHFFFAOYSA-N 450.320 1.654 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2267172613 XKDUIHWYHYNUOH-ZGKBOVNRSA-N 465.381 1.853 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267374085 MLAPNIDFWPVMKD-CABCVRRESA-N 488.437 1.696 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268635369 QFWKYBFJURVZLJ-CQSZACIVSA-N 467.397 1.942 30 10 JDEE CN(C(=O)OC(C)(C)C)[C@H]1COC[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268645778 RADJUNQUYJFVMK-KGLIPLIRSA-N 467.397 1.940 30 10 JDEE 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C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1748730285 IGDLAVYDHMFLAG-UHFFFAOYSA-N 458.526 1.764 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCCC1(F)F)[C@H]1CCS(=O)(=O)C1 1748802367 OLMDYITYGULJCX-IRXDYDNUSA-N 469.558 1.966 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1748817107 FEJVHPJDKZXPEW-RTBURBONSA-N 492.623 1.254 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C1CCCCC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748817884 RYYIXSXHWZTLIZ-NJYVYQBISA-N 463.648 1.919 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1748824278 MUBNFKIUPXNPHU-IFMALSPDSA-N 488.610 1.906 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCC1(F)CCC1)[C@H]1CCS(=O)(=O)C1 1748824526 PTJUBWSJGLQYRQ-BZSNNMDCSA-N 454.568 1.911 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1748964759 JLLQRRVRGMQUGF-SFHVURJKSA-N 452.481 1.613 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCN2CCN(C(C)=O)CC2)CC1 1749009483 BMJJLFGTRBBFMM-UHFFFAOYSA-N 498.031 1.728 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccnn2)CC1 1749368597 NDVOQBQNXDYDJX-GOSISDBHSA-N 490.634 1.330 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1749726686 ANWIJWYEVLRBLB-UHFFFAOYSA-N 488.614 1.939 30 10 JDEE Cc1ccc(C(=O)NCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cc1 1751442395 BOYBDNFQXWLPDF-MJGOQNOKSA-N 489.602 1.088 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1nc(C(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1760187487 JWZVDDYQQJDNCF-HOTGVXAUSA-N 490.655 1.853 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[C@@H](O)C2)n1 1760251972 ILFUILRMIMSIPS-PZJWPPBQSA-N 469.590 1.548 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[C@H]2COCCO2)CC1 1760267356 JKDNBIOABVRWMI-FQEVSTJZSA-N 483.569 1.734 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1760524828 KQYUPAAAWLQCBZ-HXUWFJFHSA-N 465.558 1.590 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1760526948 KDAYWQLEHBFGJY-IBGZPJMESA-N 467.530 1.643 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)NCc2ccccc2)C1 1760542828 KIKPREHLSJDJOB-UXHICEINSA-N 473.599 1.668 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1760552730 ZBMAGQXALMUQDW-OAHLLOKOSA-N 460.526 1.957 30 10 JDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1760565506 YNDKQNZIGMMKFC-LJQANCHMSA-N 458.636 1.821 30 10 JDEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1761199077 DHVCRCYZVWIGHY-SFHVURJKSA-N 459.576 1.206 30 10 JDEE C[C@@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1763232051 CWCSUTOPMSQHHY-WIYYLYMNSA-N 472.615 1.941 30 10 JDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ncnn1CC(F)F 1768244730 BBYPOXVYPACQTI-UHFFFAOYSA-N 464.502 1.744 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1772567056 INBWQFHOPPXMMI-HXUWFJFHSA-N 473.622 1.347 30 10 JDEE O=C(ON1C(=O)c2ccccc2C1=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1772791557 ATEQMTYCUNDRPV-UHFFFAOYSA-N 450.856 1.729 30 10 JDEE COc1cc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCO)ccc1OCCN1CCOCC1 1862575978 JURJCBAMNOXZES-HSZRJFAPSA-N 497.548 1.559 30 10 JDEE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1890635385 HFBOXPKMAZTIQX-UHFFFAOYSA-N 466.560 1.024 30 10 JDEE C=CCNC(=O)c1nc(C(=O)N2CCN(Cc3nnnn3-c3ccc(F)cc3)CC2)cs1 1890936154 YJTLDIGLVMVDKA-UHFFFAOYSA-N 456.507 1.132 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2255636146 QHVXUIIJHWZXRI-CYBMUJFWSA-N 453.370 1.808 30 10 JDEE C=C(CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O)B1OC(C)(C)C(C)(C)O1 2255951620 INBRLBFZXDSVNR-CQSZACIVSA-N 460.358 1.510 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1CC[S@](=O)(=NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267098441 ZGNRYCQIEMAWCV-RZQXLCLMSA-N 468.385 1.862 30 10 JDEE CC(C)(C)OC(=O)NCCCOCCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267614540 PFGZAEQSPWGEED-UHFFFAOYSA-N 450.345 1.437 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268647979 UPPWSXWXMUWCGY-HIFRSBDPSA-N 451.304 1.998 30 10 JDEE COc1ccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1 2281937645 CDHSJIOOBHBRMD-ZWKOTPCHSA-N 462.352 1.704 30 10 JDEE Cn1nc(C(=O)NCCN2CCN(Cc3ccccc3)CC2)cc1B1OC(C)(C)C(C)(C)O1 2281973175 QVPHVVBIYKBKMI-UHFFFAOYSA-N 453.396 1.267 30 10 JDEE Cc1c(C(=O)N[C@H]2COC[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281977458 PQOQCCSFIQKQCB-GJZGRUSLSA-N 464.372 1.297 30 10 JDEE CCc1nn(C)c(C(=O)NC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c1B1OC(C)(C)C(C)(C)O1 2281993018 VNVDIGDLFWIQBU-KBPBESRZSA-N 460.384 1.877 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C)C1 2282001010 VTADFQLMQLJYGN-YPMHNXCESA-N 458.290 1.557 30 10 JDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCO1 2282044389 SUHVWQQHFINRCF-HOCLYGCPSA-N 464.372 1.474 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CO 2282174027 CNFQMOBPQMTGMT-RDJZCZTQSA-N 461.368 1.729 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 2282534485 GJPVHAYTMSYPQN-UHFFFAOYSA-N 463.388 1.002 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 2282608749 YWCNRCKLDLRPHQ-OAHLLOKOSA-N 459.356 1.787 30 10 JDEE CC1(C)OB(c2cnc(C(=O)NC[C@@]3(O)CCCN(Cc4ccccc4)C3)nc2)OC1(C)C 2282614450 RTEIHUYKYAQXOT-DEOSSOPVSA-N 452.364 1.533 30 10 JDEE CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282833469 HSUYIOTWCOTYCU-NRFANRHFSA-N 486.444 1.937 30 10 JDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@@](C)(NC(=O)C(F)(F)F)C3)c(F)c2)OC1(C)C 2282836597 LZVBAOWZUGCHAL-GOSISDBHSA-N 480.289 1.957 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2282858103 RTADROMEGYRPGL-CYBMUJFWSA-N 485.416 1.038 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](OCCNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283062488 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COc1nc(O[C@H]2CS(=O)(=O)C[C@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2365387981 IFQLGUZHYLGHGZ-CABCVRRESA-N 484.380 1.459 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)[C@H](CC(N)=O)C1 2369381461 HRDHBKKOTPWYBI-CYBMUJFWSA-N 480.396 1.379 30 10 JDEE CCN(CC)C(=O)c1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 15445525 XGDKYJRERFWKEH-UHFFFAOYSA-N 483.594 1.985 30 10 JDEE COc1cccc(/C(C)=N/Nc2nc(SCC(=O)Nc3nnc(SCC(N)=O)s3)n[nH]2)c1 20836180 SLDJVZVBVSCNEX-ZVBGSRNCSA-N 493.600 1.809 30 10 JDEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3Br)n2N)cn1 59913978 CECQKKZPSINHSF-DNTJNYDQSA-N 494.379 1.774 30 10 JDEE COc1cc([C@@H]2/C(=C(/O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)ccc1O 103124629 AONDXXAPSVGAPJ-LAFOYAEKSA-N 458.423 1.740 30 10 JDEE COc1ccc(/C=N/Nc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@H](O)COc2cccc(C)c2)cc1 107391450 QDSWBPRYIFCMFD-NPSPNJCMSA-N 492.536 1.637 30 10 JDEE C=CCOC(=O)[C@@H]1O[C@@H](OC(=O)C(C)(C)CCCOc2cc(C)ccc2C)[C@@H](O)[C@H](O)[C@H]1O 503996143 SQWCELLFUXRDOB-JPVHLGFFSA-N 466.527 1.569 30 10 JDEE in-vitro C=CCNC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)CC1 509473084 QNELJKDDGPPNCH-UHFFFAOYSA-N 458.256 1.259 30 10 JDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(Cc3ccccc3)c2=O)c1C 518213918 YAZVBPMPQDONIZ-UHFFFAOYSA-N 459.571 1.937 30 10 JDEE C#CCN(C(=O)c1cc(Br)cc(S(C)(=O)=O)c1F)[C@H]1CCS(=O)(=O)C1 729335949 XVPYTNGUWKWVAH-NSHDSACASA-N 452.323 1.254 30 10 JDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(F)cc1F 729668236 CLDHJRJDYWPCRF-UHFFFAOYSA-N 495.511 1.481 30 10 JDEE C=CCn1cc(C=NNc2nc(SCC(=O)Nc3ccc(S(=O)(=O)NCC)cc3)n[nH]2)cn1 1084425073 TVZWRUNDGYKYAB-UHFFFAOYSA-N 489.587 1.662 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1286382017 QCBHFNQTYIYEHD-IEBWSBKVSA-N 459.572 1.809 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1286388464 POUDNBIPOKYGAM-KRWDZBQOSA-N 485.570 1.258 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1286393568 QUAQUBNOVCDHIO-LJQANCHMSA-N 483.598 1.368 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286396517 VTBNCCPLSXJPFM-FGZHOGPDSA-N 471.627 1.931 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1286483464 LOMWQSQJKONHDB-UXHICEINSA-N 485.633 1.801 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1286485737 WSHREGXGNFEBRZ-NRFANRHFSA-N 483.592 1.824 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 1286486976 JQAUYSCVDHTWOC-HSZRJFAPSA-N 450.568 1.651 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCSC)CC1 1286489446 SPMWWRFUNGBFIZ-UHFFFAOYSA-N 465.587 1.640 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccc(Cl)cc2)CC1 1286490776 RNCWGRRUCLEZLZ-LJQANCHMSA-N 470.961 1.927 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CCCC 1286726036 ABIWWLCITBACPO-OALUTQOASA-N 454.641 1.888 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1286789041 NSHJGFYVYOFOMA-IBGZPJMESA-N 456.566 1.859 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1286814232 NVYHMJIWCMKAQP-LJQANCHMSA-N 490.634 1.240 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCS(=O)(=O)N(C)C)C1 1286814719 VWWCIKQJSGJCDP-KZNAEPCWSA-N 455.625 1.869 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(CCOC)C(=O)C1 1286817490 UKMFRZCFLQNJJR-UHFFFAOYSA-N 467.979 1.494 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCc2ccccc21 1286967727 FZJBCBLEPSIWQG-ZWDAVXSWSA-N 474.587 1.041 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(OC)OC)c1 1300466012 SNDMQWYKHXRCPH-GOSISDBHSA-N 463.560 1.020 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300494044 XVVSPHVXVKGHIO-ULQDDVLXSA-N 494.618 1.111 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cc(C(CC)CC)no1)[C@@H]1CCS(=O)(=O)C1 1300501005 GLDHJAHEHWMBIK-GOSISDBHSA-N 488.614 1.967 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC(=O)N2CCOCC2)CC1 1300718399 MPBVAWOBTOSZFM-UHFFFAOYSA-N 484.988 1.813 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1300718644 CKDFBQOOKPWHQQ-UGKGYDQZSA-N 467.570 1.971 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@](C)(C#N)C1 1301481888 QMTNMXSCJBPALB-JOCHJYFZSA-N 470.603 1.979 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1301484856 OIJAOVFZQRJCMI-HZPDHXFCSA-N 462.576 1.111 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCO[C@H](c2ccccc2)C1 1301500709 OSNURTTWUURLEP-OALUTQOASA-N 459.572 1.450 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCC(C)C)CC2)c1C#N 1304730495 FSBBLBQAUIAXAE-MRXNPFEDSA-N 463.612 1.175 30 10 JDEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1314632701 AMZMKPRGYIXMAE-RTWAWAEBSA-N 468.558 1.981 30 10 JDEE COc1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)c1OC 1315580458 AWIVGUORLFDJJR-DYESRHJHSA-N 494.549 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1507621804 CRTIAGPTRLDMOT-INIZCTEOSA-N 456.634 1.560 30 10 JDEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1507630719 GHBNRARXINADQQ-SFHVURJKSA-N 498.609 1.464 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1507639502 KRZQFXZOAWXDRA-HXUWFJFHSA-N 468.583 1.664 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN1CCCO 1507652210 FBWUNKKGORKFPJ-SFTDATJTSA-N 486.617 1.506 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@]2(C)COCCO2)CC1 1507740669 OZFVOYLFKFDWFY-RUZDIDTESA-N 467.570 1.937 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCN2C(=O)NC3(CCCC3)C2=O)CC1 1507742311 GQXUSPZGMSRXOD-UHFFFAOYSA-N 483.617 1.697 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)(C)C 1507796964 KAONMDFQUIJGLB-BQFCYCMXSA-N 453.609 1.512 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(SC)CC2)C1 1508126128 RAGVYMMESFDWQR-JKSUJKDBSA-N 457.622 1.288 30 10 JDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCS(=O)(=O)C1 1508430198 COCDNOQWHFUYGN-JFIYKMOQSA-N 479.628 1.899 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC(=O)N(C)C 1513387942 CSYFZFDJMJANJX-UHFFFAOYSA-N 480.617 1.869 30 10 JDEE CN1CCN(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@](F)(C#N)C2)CC1(C)C 1517417609 GQMAPZJOROULSQ-QHCPKHFHSA-N 489.621 1.817 30 10 JDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1517624760 CJCXJJYMJQTGLS-IBGZPJMESA-N 484.586 1.525 30 10 JDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cc2ccccc2S(=O)(=O)CC)c1 1528412063 LJRNBWDFEFQPKO-UHFFFAOYSA-N 454.548 1.896 30 10 JDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3COCCN3C(=O)OCc3ccccc3)CC2)c1C#N 1537402689 AVGHXJNASAGFKA-FQEVSTJZSA-N 452.515 1.286 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC[C@]2(CCOC2)O1 1539155317 VFKDZZWASVMXCF-XMSQKQJNSA-N 459.572 1.603 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CC1CCN(C(=O)OC)CC1)[C@@H]1CCS(=O)(=O)C1 1539203040 NAMGWZZPFSGDIS-QGZVFWFLSA-N 451.593 1.681 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCOc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1539203290 OYHATXPTJSSEHH-HNNXBMFYSA-N 481.525 1.400 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1539206544 RCPOSCLVKIKLCT-VQIMIIECSA-N 459.528 1.907 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CC12CCOCC2)[C@@H]1CCS(=O)(=O)C1 1539206936 XTZXOONIKXFHES-GBESFXJTSA-N 466.604 1.446 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1539230450 MOQBBSSBJIYSKH-KRWDZBQOSA-N 476.628 1.289 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)Cc2ccccc2C1 1539415481 DNGRHEYAUNNBOQ-NRFANRHFSA-N 471.627 1.365 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCn2cncn2)CC1 1539434689 SPPMKVUBDKZIDK-UHFFFAOYSA-N 471.363 1.763 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCN2CCOC[C@@H]2C)CC1 1539484510 RMZMLEPARKZLMH-SFHVURJKSA-N 456.616 1.617 30 10 JDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1539977768 SEKXBVLLPHCDMV-UHFFFAOYSA-N 471.606 1.421 30 10 JDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1540033465 JDLDOMUQITZXHF-QGZVFWFLSA-N 451.535 1.725 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1540868402 DFWYSTGFRPKIDC-UHFFFAOYSA-N 453.522 1.694 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2nncn2CC)C1 1540885842 PZMGEGSJLMZMHV-KRWDZBQOSA-N 457.560 1.790 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@H](C(=O)NC)C1 1540898543 NKCJOHZIIPPBGM-OALUTQOASA-N 461.588 1.372 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1540907446 XEHLSYLURPRGKX-QFIPXVFZSA-N 461.588 1.729 30 10 JDEE CC(=O)N1CCN(CCn2c(N3CCC[C@](C)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 1541007538 SQYMAOQHIQDWQM-RPWUZVMVSA-N 473.622 1.613 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccccc1N1CCOCC1 1541907838 FVAGIRIBBMIACX-IAGOWNOFSA-N 461.592 1.512 30 10 JDEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)no1 1542213193 DXEVOKDEWIAXIP-UHFFFAOYSA-N 471.543 1.545 30 10 JDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1555817520 DEMBRWOBUYYRNU-OAQYLSRUSA-N 488.614 1.920 30 10 JDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 1587851000 AZKVRIUGPDPSMV-SJORKVTESA-N 456.551 1.445 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)c1ccccn1)[C@@H]1CCS(=O)(=O)C1 1588024889 PJJRWVXMBMQLMG-GOSISDBHSA-N 470.599 1.514 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1588035317 RJNYCLZHOBCGTO-XXBNENTESA-N 480.631 1.905 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC)nc1OC)[C@@H]1CCS(=O)(=O)C1 1588053052 ANVMQBGSSGPOSV-QZTJIDSGSA-N 475.571 1.607 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(CC)cc1)[C@@H]1CCS(=O)(=O)C1 1588054670 PJNAYQPKTHASAF-NHCUHLMSSA-N 490.651 1.612 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cc(COC(C)(C)C)on1)[C@@H]1CCS(=O)(=O)C1 1588055256 UKYQHDMORFFYAH-SJLPKXTDSA-N 477.587 1.760 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@H](COC)C1 1595497384 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C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CN2CCOCC2)c1 1588559825 KOZYDOMYDLIDRD-UHFFFAOYSA-N 466.586 1.481 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(OC)c(OC)c2OC)CC1 1588806610 WOSFVUFOLWCXNT-GOSISDBHSA-N 468.558 1.253 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2c(C)nn(C)c2C)CC1 1588891388 OYNVJTXAMPPGBS-SFHVURJKSA-N 457.579 1.367 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2COCCO2)CC1 1588892184 YZJBVARFPCYPGB-DYESRHJHSA-N 471.533 1.938 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Br)cc2C1 1595477394 UEUSFYGAIOOWAL-ZDUSSCGKSA-N 497.419 1.516 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H](C)C#N 1595766577 UGVKRUHSDAFHMN-OAHLLOKOSA-N 451.574 1.545 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1595830714 FUJIZWMPYTXLHE-IAGOWNOFSA-N 475.571 1.181 30 10 JDEE Cc1nc(CN2CCC(CNC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)oc1C 1626999555 DAUYXCUREJBONB-UHFFFAOYSA-N 459.572 1.748 30 10 JDEE 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C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CCOC2)CC1 1286701176 WJKSZMJYJUHVAA-RTBURBONSA-N 453.609 1.830 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)Cc1ccc(F)cc1 1286726901 KKDXMPLKZVAMPT-LJQANCHMSA-N 466.583 1.504 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](Cn3nc(C)nc3C)C2)nnc1[C@@]1(OCC)CCOC1 1286793544 YQBORYUALAPPDY-AUSIDOKSSA-N 472.594 1.357 30 10 JDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCN(S(C)(=O)=O)CC2)cc1 1286794291 BVKFNDFXBNWDCC-UHFFFAOYSA-N 457.560 1.373 30 10 JDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)[C@H](C)C1=O 1287751267 DYGGBAFUMRBMGE-OAHLLOKOSA-N 459.501 1.891 30 10 JDEE C#CCN(c1nnc([C@@H](C)CC)n1CCCN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1300483436 JXNSHTZKDANXNT-PMACEKPBSA-N 450.653 1.446 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCn2cc(CO)nn2)CC1 1300681901 CFFXCOZRKZFYGV-NRFANRHFSA-N 478.601 1.964 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[C@H]2CCCCO2)CC1 1300711012 RNPYSCWUUDMJSW-HXUWFJFHSA-N 456.591 1.829 30 10 JDEE 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30 10 JDEE C=C(C)COCCn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1539758655 KTNWEMUWHMYQNZ-NIRIFSCTSA-N 490.649 1.512 30 10 JDEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1)c1ccccc1 1539766736 DOVKSUQRJOGCPL-FQEVSTJZSA-N 461.588 1.533 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1540867310 RJKZLAKZGKFHFB-MRXNPFEDSA-N 461.544 1.380 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cccc(C)c1 1540871304 ITSFLCLYGWQRNF-PMACEKPBSA-N 488.614 1.563 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1540903733 GJEOMQCAFJFXLE-UHFFFAOYSA-N 477.591 1.787 30 10 JDEE CCN(C)C(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1547320179 DCHGEMYKPIFWGF-UHFFFAOYSA-N 464.574 1.073 30 10 JDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)C1 1555798563 GSPPIDGZUFRVCL-FQEVSTJZSA-N 486.598 1.801 30 10 JDEE CS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1559346196 BPHDYUSEAIJKQZ-FQEVSTJZSA-N 455.515 1.988 30 10 JDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)Nc2nncs2)CC1 1586188620 ZKEDCGMFQIIMPF-CYBMUJFWSA-N 458.972 1.657 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(=O)NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 1588064370 HCNSZYIFFUPMTI-QGZVFWFLSA-N 488.595 1.170 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1588068991 DOZQAXSPWHTUMJ-INIZCTEOSA-N 478.529 1.406 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CCNS(=O)(=O)Cc1ccon1 1588120988 VRGFDBKAMFJYTB-UHFFFAOYSA-N 477.550 1.617 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCC(=O)N(C)C)CC1 1588946577 FHUWTSGKUUCRHA-UHFFFAOYSA-N 452.559 1.322 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1589395046 QEDQQXAQLXQYNW-WBAXXEDZSA-N 494.438 1.517 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccncc1Cl)C1CC1 1595058536 OYRSMZZLYIJHHI-KRWDZBQOSA-N 452.968 1.863 30 10 JDEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1595369588 QRTBVPGWEJGPCT-UHFFFAOYSA-N 498.584 1.436 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1595556068 MSKLFDNZJAYPPF-UHFFFAOYSA-N 474.569 1.300 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1595577264 MZQJRILZIYBQNK-UHFFFAOYSA-N 497.556 1.564 30 10 JDEE CC(=O)NCCN(C(=O)CCc1c(C)nc2c(C#N)cnn2c1C)[C@H](C)C(=O)OC(C)(C)C 1611418386 FOTQCOVQEQLAJV-MRXNPFEDSA-N 456.547 1.845 30 10 JDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1cccc(C(=O)N(C)C)c1 1616910492 FQDYFALYDBYALA-UHFFFAOYSA-N 491.600 1.805 30 10 JDEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1631704260 GTXMAOKDKTUVNM-UHFFFAOYSA-N 454.552 1.820 30 10 JDEE C#C[C@@H](C)NC(=O)Cn1cc(I)c(=O)c(I)c1 1634747915 IUGFKMVEORIQDA-SSDOTTSWSA-N 456.021 1.195 30 10 JDEE Cc1cc(C(=O)NC2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)c(C)o1 1641681596 CXILREOBTFQYBK-UHFFFAOYSA-N 454.531 1.608 30 10 JDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@@H]2C(=O)NCc2ccco2)CC1 1652463930 BUXOWBQZAOIGAO-FGZHOGPDSA-N 453.518 1.908 30 10 JDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)n1 1668982787 INTAANRHDHIUQI-UHFFFAOYSA-N 455.334 1.215 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CCC2(O)CCOCC2)c1 1689873438 ISQVQWLFUQCFIP-REWPJTCUSA-N 497.596 1.990 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1csc([C@@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1689978131 NDCLFVOJIPXDGR-ZBFHGGJFSA-N 480.616 1.255 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1689993005 SURMUABZUQUOPM-SIKLNZKXSA-N 462.547 1.440 30 10 JDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1690003576 QZKNRIFUPNWOHL-YKSBVNFPSA-N 451.575 1.794 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CN2CCCC2=O)cc1 1690102754 UKWNPRCPHNSQEV-HXUWFJFHSA-N 450.543 1.486 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ccn(C)n2)CC1 1690140025 JFJCTQZIKNLLOI-UHFFFAOYSA-N 463.542 1.710 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCN1CCC[C@H]1C(=O)N(C)C 1690211052 RLGSZRQGSASWJY-YADARESESA-N 455.607 1.335 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCC(=O)N2)C1)C(C)C 1690581478 SJIINVIZUFBFLT-DCLXLUIPSA-N 490.674 1.738 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1690662320 ZBRRANVIRSPREV-YLJYHZDGSA-N 487.557 1.657 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C(N)=O)cc1 1705489762 VQFBGHLEPARLKJ-HNNXBMFYSA-N 451.556 1.843 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(O)CCS(=O)(=O)CC1 1705575774 WWUUJINJKFTGDZ-UHFFFAOYSA-N 464.494 1.559 30 10 JDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)N1CCSCC1 1705612519 IKMSNAYORCANMX-LJQANCHMSA-N 477.612 1.629 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCCS1(=O)=O 1705623623 YLZYGDHLLWOYDB-LJQANCHMSA-N 480.612 1.402 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705710407 XVUJDJRZWOZUNG-SCWSEQNSSA-N 459.522 1.929 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1705895253 ZOLADPWJPKXTRV-QGZVFWFLSA-N 452.563 1.538 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(O)cc2)CC1 1705936675 WGDHAGVEEMURDX-GOSISDBHSA-N 461.588 1.805 30 10 JDEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1708278362 GDJSQEVTPNJSEL-XAEMIUIASA-N 454.531 1.360 30 10 JDEE Cn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)cn1 1711254774 BBUNQLKBQZIBIN-KRWDZBQOSA-N 454.560 1.364 30 10 JDEE CS(=O)(=O)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1712696759 BUWWQAGPBYMQNK-RTBURBONSA-N 493.611 1.064 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1722366176 HCQDQJJSBYJGOT-WOJBJXKFSA-N 476.624 1.358 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(OC)CCOC1 1722423369 ZVTDKDPBZHRMBM-AVRDEDQJSA-N 462.547 1.765 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCN2CCOC2=O)CC1 1722433303 QPEZLEXXCPFMHJ-UHFFFAOYSA-N 462.352 1.633 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)N(C)C)CC1 1722437388 MFMGSSHFHLUATM-MOPGFXCFSA-N 461.611 1.292 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1722443049 AQJGHMFAVHWDLE-FGZHOGPDSA-N 462.554 1.834 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCS(=O)(=O)NC(C)C)CC1 1722443253 QCWVGTNVVIAPQE-UHFFFAOYSA-N 488.614 1.247 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1722523480 VMLSAXSCSRVUNT-SJORKVTESA-N 484.623 1.538 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722696196 DSWWEWBYOAYYLS-REWPJTCUSA-N 479.629 1.935 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1722697599 NELWYFWXEZRMQR-HNNXBMFYSA-N 458.544 1.772 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCS(C)(=O)=O)C1 1722712953 ABBKAGMSOLOCHN-INIZCTEOSA-N 454.574 1.175 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722730469 SYEZSMQPYYIOQC-LJQANCHMSA-N 466.629 1.678 30 10 JDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1728185913 HBLOVRVKXJEBAX-HXUWFJFHSA-N 485.614 1.737 30 10 JDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(F)cn2)CCN1S(C)(=O)=O 1731150096 AVUYHXGZFQSKSO-HNNXBMFYSA-N 455.519 1.869 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(N(C)C)CCSC2)c1 1740563285 RTZHVCWHBPHESO-NTKDMRAZSA-N 481.626 1.723 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1740575838 WFAPLYMGDYSETR-MOPGFXCFSA-N 478.619 1.006 30 10 JDEE C#CCCCCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740579457 SLWQAOCSYFNOBP-DEOSSOPVSA-N 474.606 1.696 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740625346 NISKMHALQLRGOC-DENIHFKCSA-N 489.617 1.603 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCS(=O)(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740625973 JKLLBKCRLHIQPK-IRXDYDNUSA-N 472.633 1.360 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCN(C)C1 1740646855 KIHXDHYGJYSVGW-HSZRJFAPSA-N 469.615 1.076 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=C)Br)n1 1740689472 XFVRJMPALNHJNN-INIZCTEOSA-N 497.419 1.572 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1740715533 KGRSWPGRNVVDJY-UHFFFAOYSA-N 482.589 1.945 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1740719707 JOUSSVMIUPPHEM-UHFFFAOYSA-N 467.647 1.952 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740779677 UTGNGHAROONZJL-HNNXBMFYSA-N 453.590 1.395 30 10 JDEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)NC[C@H]2C1 1740890112 TVTFPNCBOPCVME-AWEZNQCLSA-N 450.341 1.842 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1740955164 XISNMBWNCJRINS-SFHVURJKSA-N 452.475 1.257 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCc1ccc(Br)cc1 1740958317 NCIBRSUDZLHDNX-MRXNPFEDSA-N 461.364 1.973 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1740962676 LKVRPLQEAOUEJJ-UHFFFAOYSA-N 468.631 1.905 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2c(ccnc2O)C1 1740963297 HACKRWNBZLNWAQ-UHFFFAOYSA-N 453.528 1.235 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCN(C)C(C)(C)C2)C1 1740983292 FVETYJRPRXIYPK-NRFANRHFSA-N 456.639 1.947 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1740990588 WKMKVENOEUFVKZ-NRFANRHFSA-N 457.560 1.426 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1740992261 CYRLKPMLATUKIH-GOSISDBHSA-N 458.588 1.360 30 10 JDEE C[C@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1741876128 BORHUHSMZLYIAX-XLIONFOSSA-N 458.588 1.408 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCC[C@@H](C)C1 1748790603 JNDPVHXXUNAPTR-RTBURBONSA-N 452.625 1.193 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1748805445 SAJPQGFCMLHKOM-AVRDEDQJSA-N 467.636 1.145 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2(O)CCN(C)C2)CC1 1749004379 HSGRUORJEFHMJT-AVRWGWEMSA-N 484.576 1.590 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1749015328 DARJTTUQRMQMQD-RUZDIDTESA-N 482.560 1.413 30 10 JDEE C#CCSCCn1c(N2CCN(c3ccc(C(N)=O)cn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749050303 YHOJPJBDBLDCFY-XMMPIXPASA-N 499.641 1.506 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1749655628 NMXYTZUGVXNFDP-JXFKEZNVSA-N 488.614 1.501 30 10 JDEE C=CCNC(=O)Cn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749682018 NCTSJLPKCYBJFS-LAUBAEHRSA-N 469.608 1.024 30 10 JDEE C=CCOc1ccccc1Cn1c(C2CC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749690452 RVLXTFAUYLHIDS-UHFFFAOYSA-N 452.559 1.942 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1749727327 SMNHUDAFDKSRSN-CALCHBBNSA-N 499.387 1.879 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1749797614 CUAXKVXJGBMDSY-MBOBHEEDSA-N 455.563 1.767 30 10 JDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1750980115 CYFJUQANXURPFF-OAQYLSRUSA-N 478.601 1.474 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC2(S(C)(=O)=O)CCC2)c1 1760126380 WXNSEDKQGKJJJP-UHFFFAOYSA-N 481.582 1.702 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCCS1(=O)=O 1760176141 ZMKBLXZNJSZVTQ-SJORKVTESA-N 467.592 1.623 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760179161 NVCQPVZKLLHENV-IAGOWNOFSA-N 494.618 1.054 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCc2nccn2C1)[C@@H]1CCS(=O)(=O)C1 1760184856 ZNRGFDVSXNLSNN-PKOBYXMFSA-N 487.630 1.282 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1760185587 ZTRLJOHYJRYTBH-SJORKVTESA-N 460.556 1.626 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn(C)nc1-c1ccccc1 1760205796 JZBZXAQAGIRPSF-NRFANRHFSA-N 493.593 1.133 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1Cl 1760206019 PDEPJKQGYNIICK-LJQANCHMSA-N 479.965 1.719 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1760272141 ABWOHDKOFICLER-HUUCEWRRSA-N 450.590 1.550 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cscn1 1760358603 XHSZJJOPYIBPAB-INIZCTEOSA-N 456.594 1.297 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1760451039 YNCQUFMKEYEOEZ-INIZCTEOSA-N 493.552 1.668 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1760514315 AYFYUUDPUCNKSZ-LJQANCHMSA-N 467.574 1.944 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCCCC2=O)C1 1760541830 AGAZELQBOPRCLS-OALUTQOASA-N 465.620 1.754 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1760555764 MSSKHXRLXWWQBM-AEFFLSMTSA-N 450.609 1.141 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@](C)(O)c1ccccc1 1760695296 FGDQIQPXXMCIEJ-ZWCUEREDSA-N 476.603 1.505 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1761229839 GHYLWFFISCQJAE-LJQANCHMSA-N 499.641 1.829 30 10 JDEE CCN(CC)[C@@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1766582709 DRBZDARWZBBIMZ-RBUKOAKNSA-N 488.662 1.817 30 10 JDEE Cn1cc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)cn1 1767466771 GROPKAWLXPUOAY-HXUWFJFHSA-N 482.614 1.949 30 10 JDEE CN1C(=O)COc2ccc(-c3nn(-c4cccc(C(=O)O)c4)cc3/C=N\NC(N)=S)cc21 1857806849 MOVJYTSVFGISBN-AQHIEDMUSA-N 450.480 1.760 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 1858300218 AIUPUIXKNLEION-LJQANCHMSA-N 488.591 1.536 30 10 JDEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 1870521878 RYYCWMDFYCYDJZ-UHFFFAOYSA-N 498.580 1.222 30 10 JDEE C=CCn1c(C(=O)NCCN(CC)CC)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873593628 SRDGTNSVTNHLPA-UHFFFAOYSA-N 457.579 1.967 30 10 JDEE CN(CCCNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255799693 MLHJWQZRRLIFHK-UHFFFAOYSA-N 458.390 1.255 30 10 JDEE Cc1csc(C(=O)N2CC(NC(=O)OC(C)(C)C)(C(N)=O)C2)c1B1OC(C)(C)C(C)(C)O1 2267194288 ONLZQESWBGSPST-UHFFFAOYSA-N 465.381 1.560 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C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1301586931 VWHFBNQEEROOKG-RBUKOAKNSA-N 459.572 1.278 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1301587002 QJHZPWDENYBGBP-MRXNPFEDSA-N 456.572 1.618 30 10 JDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCCS1(=O)=O 1315653116 COAKWKDGIZFMOC-IAGOWNOFSA-N 461.544 1.562 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1358891146 ZSVUKZCBTWKTSG-MSOLQXFVSA-N 457.604 1.735 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358960091 WVQLDUGWHHQPKQ-HXUWFJFHSA-N 487.626 1.693 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CC1(S(C)(=O)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1358961124 SBOFOKATHGEIJU-KRWDZBQOSA-N 477.612 1.324 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(N(CC)CC)nc1)[C@@H]1CCS(=O)(=O)C1 1358963017 AKEKTYAHCPKYFE-WOJBJXKFSA-N 472.615 1.698 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccc(N2CCCC2)nc1)[C@H]1CCS(=O)(=O)C1 1358967527 MCYCDHBJCXYGTM-IBGZPJMESA-N 458.588 1.485 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccnc2OCC(F)(F)F)CC1 1359034581 WUQKRROPJJCXJI-UHFFFAOYSA-N 460.464 1.818 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)N2CCOCC2)CC1 1359047010 NOHNGGMOWVLPOD-UHFFFAOYSA-N 482.633 1.216 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(F)(F)F)C1CC1 1359251031 ADRGRWFQVRHXDI-AWEZNQCLSA-N 453.487 1.692 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1359306142 XQRCGEAZIDPEQK-KURKYZTESA-N 478.594 1.892 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC)C1 1359310500 YCPVJOHZPRTXNF-FPOVZHCZSA-N 491.614 1.839 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOc3c(cccc3C(=O)OC)C2)s1 1456546698 GKDRKFDEDBENCM-UHFFFAOYSA-N 450.538 1.963 30 10 JDEE C#CCN1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CC1 1471936960 CYDISWOUOXIYEF-HOTGVXAUSA-N 453.992 1.965 30 10 JDEE Cc1ccc2c(n1)c(=O)c(C#N)cn2CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1473009364 DFMDLUACTMMJPV-MRXNPFEDSA-N 456.549 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10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC(NC(C)=O)CC1 1507802323 BDMIIJLHFSETHL-QCXTYMKMSA-N 482.651 1.753 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCCC(=O)NC 1508090538 OLMJXFJANQBYHO-QGZVFWFLSA-N 477.610 1.657 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1508099194 VZIKEYMMHWEFLU-QKNQBKEWSA-N 460.623 1.800 30 10 JDEE Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c(O[C@@H]2CCOC2)c1 1510870673 HFBDJXHRTMEQHD-AQOAWAETSA-N 492.577 1.855 30 10 JDEE CC1CCN([C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CC1 1512265888 DOASSMUUHNPPTD-QUCCMNQESA-N 479.651 1.471 30 10 JDEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1 1516945250 CBDHDGNURGEPGZ-OAQYLSRUSA-N 478.601 1.461 30 10 JDEE CN(C)S(=O)(=O)c1ccccc1Cn1c(-c2ccccn2)nnc1N1CCO[C@H](C#N)C1 1517019807 AUPNKVUSJBWDHF-QGZVFWFLSA-N 453.528 1.367 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 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C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)NCCC)CC1 1540864622 GIBIFQLVZISBFN-UHFFFAOYSA-N 488.614 1.393 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1540866301 IZHHBNYNJOVILG-QFIPXVFZSA-N 475.571 1.280 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1540874382 FAAOSYAJBOPCRQ-JOCHJYFZSA-N 495.584 1.543 30 10 JDEE Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cc(N2CCCC2)n1 1542200984 GQPZROMSBVKMIA-QGZVFWFLSA-N 472.619 1.980 30 10 JDEE Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1556383109 HCNOCKOHAXZDGN-FOIQADDNSA-N 456.524 1.782 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)c1 1556799756 ULHCGMZPIXNCJJ-KRWDZBQOSA-N 455.305 1.963 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1587620503 GJRHGMOLTHGGIW-SJORKVTESA-N 483.598 1.414 30 10 JDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1587697304 NBGIKOPBCQZEMZ-NRFANRHFSA-N 469.634 1.841 30 10 JDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1587782930 DWRMIFNOVDAIMU-UHFFFAOYSA-N 452.607 1.877 30 10 JDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cn(C2COC2)nn1 1587984458 BZKGXACGDIPGIO-UHFFFAOYSA-N 456.551 1.673 30 10 JDEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1588049612 JMLGMHDRFTYHMB-GOSISDBHSA-N 498.609 1.728 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCNC(=O)c1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1588049869 MMWZZVTYLDOFRS-SFHVURJKSA-N 482.566 1.426 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1588069885 UPMBKJVZSAINIT-PXNSSMCTSA-N 460.556 1.671 30 10 JDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(N2CCOCC2)CCSC1 1588263424 VOZFBSUAWIOVQP-QFIPXVFZSA-N 455.588 1.593 30 10 JDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCOC[C@@H]1C 1588628978 SBODJBNHLWJKFK-ROUUACIJSA-N 460.604 1.997 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CCN(C)CC1 1589215853 GGSYWTFDNYCAMO-GHTZIAJQSA-N 496.703 1.431 30 10 JDEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(NC(=O)COC)CC1 1593661053 ZYGZKFYFFXMVQM-UHFFFAOYSA-N 481.645 1.950 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2OC)CC1 1595405142 DYFLWFJCCVONCT-LJQANCHMSA-N 462.576 1.132 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@@H](C)C1 1595537154 MRQWGSSWKVJDJX-INIZCTEOSA-N 478.557 1.034 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(O)c2)C1 1595730343 VUBYEXPNMOBASS-RTBURBONSA-N 463.560 1.146 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCN(CCC)C(=O)C1 1595777510 OXSMMOZBLOFIHL-UHFFFAOYSA-N 489.598 1.766 30 10 JDEE C#C[C@@H]1CCCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1639240203 BIMNJZRBIBFCTA-QGZVFWFLSA-N 451.976 1.825 30 10 JDEE CNS(=O)(=O)[C@H]1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)C1 1657732526 FNZPAWVIUXQCJG-IBGZPJMESA-N 459.572 1.927 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cnn(C)c2)c1 1689871673 BHDAJVAEQGJZQV-SFHVURJKSA-N 467.555 1.018 30 10 JDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1689907770 LEQXNFLISRIANO-UHFFFAOYSA-N 457.623 1.600 30 10 JDEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1689935710 QCJCOQMGYZPHGI-FYYLOGMGSA-N 480.613 1.416 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1689983710 FWGURVJKGJJISF-NHCUHLMSSA-N 452.584 1.928 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1Cc1c(CC)nn(C)c1OC)[C@H]1CCS(=O)(=O)C1 1689989617 HGZQUKSFDTWKLA-KRWDZBQOSA-N 460.604 1.915 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1689994294 VQOZVOLTSHNQSC-VQIMIIECSA-N 452.627 1.425 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc3c(c2)OCO3)CC1 1690136778 JVYBRHZTYIDCOC-UHFFFAOYSA-N 480.569 1.939 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](OC)[C@@H](C)CC)CC1 1690137387 XBTIQRNQWBGILM-HKUYNNGSSA-N 467.574 1.952 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 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C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1690721139 YSWXLHGGWOSBON-SFHVURJKSA-N 468.587 1.836 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1690723011 FCGYOYVWSGACKO-GVDBMIGSSA-N 451.593 1.614 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(C)=O)CC1 1690723130 IVGKDZBGEAKLIP-UHFFFAOYSA-N 470.555 1.869 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1690723665 XYNJOYAXZXWDKU-GOSISDBHSA-N 494.643 1.254 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690725647 XITGHDKMOWREGL-MJGOQNOKSA-N 461.563 1.571 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1690782779 DDGLFGVRCOTRRH-LJQANCHMSA-N 486.598 1.061 30 10 JDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CSCCS2)CCO1 1698492167 BXXLAORZZYRREK-KBPBESRZSA-N 450.615 1.847 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1cc(C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1705558985 NQKZUWHXOLDEFN-LJQANCHMSA-N 473.599 1.603 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccnc1)C(C)C)[C@H]1CCS(=O)(=O)C1 1705559196 UDUBGLUXEHEJLS-LEWJYISDSA-N 484.626 1.976 30 10 JDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1705566831 QWQMYQPEAJAXPD-UWVAXJGDSA-N 459.572 1.367 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCC(=O)NC1CC1 1705580871 RZVOVXDCVMWXGQ-UHFFFAOYSA-N 453.572 1.370 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CCS(=O)(=O)N(C)C 1705624637 JHDNMVNYOMXNQR-UHFFFAOYSA-N 470.393 1.685 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(NC(C)=O)nc2)CC1 1705649398 WICDLVHZVQLZNK-UHFFFAOYSA-N 460.542 1.651 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1705946868 UCVUTSOACDALKX-DLBZAZTESA-N 453.634 1.691 30 10 JDEE COc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c(OC)c1 1711811082 GDVGHRIUJMIBIH-XOBRGWDASA-N 466.539 1.590 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2CC2(O)CCOCC2)n1 1722427690 MODGXJDOAIPROC-UHFFFAOYSA-N 453.547 1.308 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCN(C)CCOC)CC1 1722438434 XJFZXEGCMWEAIW-JOCHJYFZSA-N 454.575 1.514 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1722447109 FAYQEYLCBWWWBS-UHFFFAOYSA-N 470.599 1.420 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCNC(=O)c2cccs2)CC1 1722449786 ZISAWSIASNHTBM-UHFFFAOYSA-N 477.594 1.721 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1722701775 CYRKAEWWFAWKHN-UHFFFAOYSA-N 469.565 1.554 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1722702188 KMHMMGQVSSXYFV-UHFFFAOYSA-N 450.503 1.913 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C#N)C1 1722726823 IMGBDKGBJLYXBV-QZTJIDSGSA-N 494.618 1.722 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCCCC2)CC1 1722726837 IVIKIHWXYBNKKG-SFHVURJKSA-N 450.609 1.285 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1722749154 FGOFPHRPBKXDMX-MSOLQXFVSA-N 495.671 1.868 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N(C)CC(=O)N1CCOCC1 1722749649 IAGSXOVSPZOTTH-UHFFFAOYSA-N 473.555 1.587 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCN1CCOC1=O 1723613863 CAGZVQOFPVSRKX-UHFFFAOYSA-N 466.546 1.457 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1740615653 INQQKKVLGQPBOL-INIZCTEOSA-N 499.528 1.165 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(S(=O)(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1740616071 RMZWRMNCSWMLPK-QGZVFWFLSA-N 479.628 1.159 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(N(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 1740621302 LGQNXPGMWBVIRH-NRFANRHFSA-N 467.599 1.728 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1740623147 PASRWNXBGHENDB-CUWPLCDZSA-N 485.610 1.743 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOCC(F)(F)C(F)F)[C@H]1CCS(=O)(=O)C1 1740627266 OZPSXLQBYQVXJO-KBPBESRZSA-N 468.473 1.326 30 10 JDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740662391 KNZGGYKEGCXGEX-ZDUSSCGKSA-N 455.382 1.777 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C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)NC[C@@H]1CN(CC(C)C)CCO1 730028541 CPMKVOANZNSNCC-NIYFSFCBSA-N 498.580 1.168 30 10 JDEE C=CC[C@@H](NC(=O)CNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757353776 GOAANALPIQTANQ-HXUWFJFHSA-N 451.479 1.787 30 10 JDEE COc1cc(C=NNc2nnc(SCC(=O)NCc3ccco3)n2N)cc([N+](=O)[O-])c1O 1084089891 LEQNEOLESZTMTJ-UHFFFAOYSA-N 462.448 1.062 30 10 JDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1286311435 IEMIGNZESBRDSE-UHFFFAOYSA-N 453.547 1.762 30 10 JDEE C#CCCCn1c(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1286359932 NIUYRZRHHONSRI-WIOPSUGQSA-N 474.650 1.575 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1286381321 LVVGRDSHKUJKBR-QGZVFWFLSA-N 481.538 1.004 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1286387539 SDNKSDYICIFOEF-INZIPBBXSA-N 476.624 1.882 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1286389256 HAELFGVXLMSHCL-INIZCTEOSA-N 453.515 1.947 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCN1CCN(C)C(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1286391341 CPVJCOVBEZOHOM-HSZRJFAPSA-N 498.697 1.830 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCCS(=O)(=O)C1 1286403266 IYRKYYHNOZNLKK-QGZVFWFLSA-N 472.567 1.869 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C)ccc1OC 1286430680 IQNVCQZQUVBZGH-QFIPXVFZSA-N 485.610 1.634 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)N1CCOCC1 1286462610 OTPWZIHNHAKFCE-UHFFFAOYSA-N 465.558 1.791 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2C)CC1 1286491765 ARESUTOPBNNDOU-UHFFFAOYSA-N 472.553 1.785 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)N2CCOCC2)CC1 1286492383 JOBAAUZRKYFICA-LJQANCHMSA-N 484.576 1.683 30 10 JDEE C=C(Br)Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1286547241 FTIKAELFRWRWBE-LIRRHRJNSA-N 483.367 1.312 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)CN2CCCC2)CC1 1286645390 CEAPTISYRRSYKH-LJQANCHMSA-N 466.652 1.889 30 10 JDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1286646445 RDKYZYGQDQJKED-DLBZAZTESA-N 459.563 1.693 30 10 JDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(CCOC)C(=O)C1 1286776771 ZDTHWLKFZPZRCE-UHFFFAOYSA-N 453.591 1.124 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1286779757 WWGYRZNWPYKHSD-INIZCTEOSA-N 456.551 1.707 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1286822519 FJKKSZONGMDSJC-KRWDZBQOSA-N 489.568 1.813 30 10 JDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1300337257 WVMWSUCCWXYUQU-UHFFFAOYSA-N 466.590 1.698 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1300391997 XNRXYQCSUWBOCP-GOSISDBHSA-N 465.601 1.280 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1300484496 STDJQFNPOHREAX-PGRDOPGGSA-N 494.639 1.382 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1300561258 MSMZJZWMGASMJY-SFHVURJKSA-N 489.623 1.093 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCS(=O)(=O)NC(C)C)CC1 1300682872 KIVYJIHCNSJFCC-SFHVURJKSA-N 478.594 1.640 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1300691220 QADABQKTAHRDAP-LJQANCHMSA-N 488.614 1.142 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1300719790 QBXQNXUNSMYPRI-MOPGFXCFSA-N 452.607 1.765 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2cnn(CCOC)c2)CC1 1300728929 KLHNDSNQDQEGHW-UHFFFAOYSA-N 453.591 1.868 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1301295852 AYVHLEIAJCLVRQ-SQNIBIBYSA-N 498.650 1.879 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1301508803 VSBUUPOOAUSUKO-OAHLLOKOSA-N 456.576 1.807 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1301530956 BPIQHBYFIUOXLO-OAQYLSRUSA-N 468.602 1.995 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCNC(=O)C1 1301567929 ASAFOFIWGLUVDL-UHFFFAOYSA-N 472.596 1.914 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1301576061 QUMANSRMGPCQLC-RBUKOAKNSA-N 494.639 1.812 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1301586964 QAQSRAYQRJLPGD-IBGZPJMESA-N 478.663 1.354 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1301588221 DGWWMLQFFPIGIA-HXUWFJFHSA-N 489.598 1.789 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1301592942 GWGCOZBPLVKKKU-UXHICEINSA-N 480.562 1.981 30 10 JDEE C[C@H](Cc1cccs1)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1303657857 BFTPIKYQVNMNJQ-RYRKJORJSA-N 480.616 1.280 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCO[C@@]4(CCSC4)C3)CC2)cc1 1312255132 AYMQHEFREXHCAG-XLIONFOSSA-N 450.586 1.629 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(N2CCOCC2)CCSC1 1358870018 COGAVPMTJRANHW-VGOFRKELSA-N 455.588 1.591 30 10 JDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(I)cc1 1358948950 PMJIJEYFFOWTRY-AWEZNQCLSA-N 470.336 1.903 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1358954892 AFPFZFSUJXUCAX-AWEZNQCLSA-N 490.496 1.192 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1358956507 GUTOKQJQAGNXGF-VGSWGCGISA-N 473.555 1.458 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1358962365 ONLGJSDDBQJIDD-RTBURBONSA-N 458.588 1.656 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1358966097 HVIWTAMLKXLTPS-WFXMLNOXSA-N 461.588 1.008 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1CC(C)(C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358966701 UUXOWERFJHWSKJ-HXUWFJFHSA-N 463.648 1.748 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1359060216 NWRUFWXMDDEBMK-WMZHIEFXSA-N 498.701 1.885 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1359284595 ZSFKAFWMZDEBDG-SFHVURJKSA-N 489.646 1.418 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(n2)CCCC3)C1 1359314281 YPINZAYAGRBVND-LPHOPBHVSA-N 460.604 1.992 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1359334711 OKGYNZSZVAUUII-IEBWSBKVSA-N 459.572 1.215 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CCC2)CC1 1359334947 VPURGSUXDDUXKT-UHFFFAOYSA-N 478.644 1.545 30 10 JDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCSC1 1359929216 AKYBUYZMWMVXNF-FXAWDEMLSA-N 486.664 1.245 30 10 JDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](Cn1ccccc1=O)c1ccccc1 1448347505 FVDMHNFUJPHKHG-LJQANCHMSA-N 450.520 1.835 30 10 JDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)NCCN1CCOCC1)[C@H](C)CC 1464842951 ZCQUDGGBNUEDKW-CEXWTWQISA-N 452.596 1.272 30 10 JDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccc(C)n2)CC1 1504536680 HFFFKCHPCGOQGH-UHFFFAOYSA-N 475.553 1.970 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1507711821 ZQZNGGUHZOKFFL-JBACZVJFSA-N 491.589 1.955 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2COCCO2)CC1 1507720769 FTMFTGPWRNTIFU-UGKGYDQZSA-N 455.559 1.987 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCO[C@@H](C)C2)CC1 1507733546 CCEDKADPSHOUCV-ROUUACIJSA-N 458.607 1.977 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2CCN(C(C)=O)CC2)CC1 1507741095 UTRRVIRXMYLJDT-UHFFFAOYSA-N 480.617 1.364 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1507807064 BZTRCJWNDGZERW-NVJIOZQYSA-N 463.579 1.253 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1508085433 HQPIELPYEFJYBR-NRFANRHFSA-N 463.991 1.840 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(OC)C2CC2)C1 1508125072 NKEAGFIJHUKPSY-LQWHRVPQSA-N 469.608 1.207 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2nccs2)C1 1508128356 XMBIOLBSSLVODM-SJORKVTESA-N 482.632 1.482 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1508143092 JBVXGWXCDFQEEJ-JKSUJKDBSA-N 476.525 1.897 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1508148838 KVEQSXLOMXENOZ-MRXNPFEDSA-N 466.535 1.986 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1508148885 YGPQTBYWVHQWPX-LJQANCHMSA-N 491.618 1.110 30 10 JDEE CS[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1519722277 FKYKPKAJZDGYCP-CABCVRRESA-N 464.621 1.233 30 10 JDEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539097367 KPAOBRXYQAGMPX-OAHLLOKOSA-N 460.336 1.922 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1539206676 UJRWCFNZKYBZOA-XXBNENTESA-N 488.614 1.066 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCOCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1539218932 ALOFSPWYCLVSQA-UYAOXDASSA-N 487.582 1.081 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539222380 VREHQIPQEFTQIK-VQTJNVASSA-N 451.637 1.918 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2Cc2nc(C)cs2)n1 1539422647 GRDGBDGJTMYXAS-UHFFFAOYSA-N 468.587 1.810 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1539489844 PDCPOILJEFKVPP-HXUWFJFHSA-N 471.583 1.547 30 10 JDEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1539530889 OLPCNUKPBORLQQ-IRXDYDNUSA-N 478.619 1.668 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOCC1CCOCC1 1539556463 DALOPKDFTBKMAF-NFBKMPQASA-N 495.646 1.436 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)COC)CC1 1539642628 IUUHFTWKQGGGLH-VGSWGCGISA-N 460.579 1.113 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1539744308 HZPRXYPRRARPAX-GOSISDBHSA-N 469.546 1.364 30 10 JDEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1539895818 AJBMOFYJLGLCDE-QFIPXVFZSA-N 462.572 1.818 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1540004981 ITSGOGLFSJVJAY-ZWKOTPCHSA-N 468.624 1.318 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCC(=O)N(C)C)C1 1540889839 UVUDXAZNSDHEKA-QGZVFWFLSA-N 465.558 1.842 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)(C)C)CC1 1540917078 NBMPIGPYRWVALM-SFHVURJKSA-N 486.708 1.841 30 10 JDEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)C1CCOCC1 1548371044 FLJBDHKRQGKHIY-IBGZPJMESA-N 468.476 1.783 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCCNS(C)(=O)=O)c1 1587693334 RHDNGBDCKBUFDP-SFHVURJKSA-N 474.587 1.168 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1587862612 XJWFQZBJPTVCID-GOSISDBHSA-N 458.588 1.714 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1588024723 KCMBRBHPMYCHNI-HOCLYGCPSA-N 464.617 1.612 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1588619702 BXMOUYKUJBKMBE-FQEVSTJZSA-N 453.547 1.740 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2CCN(CC)CC2)CC1 1588848215 AFMQKPWUTBHEQR-UHFFFAOYSA-N 453.610 1.791 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1588864512 FBOQSMODIRYLBE-FQEVSTJZSA-N 485.633 1.803 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1588913469 KLLJPXFHDVLMQB-NRFANRHFSA-N 478.645 1.580 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO1 1589547786 WDSPBPSANMXGTC-YRXWBPOGSA-N 469.608 1.207 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1594194680 XOXMUJHXMURKFR-MRXNPFEDSA-N 481.644 1.884 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CCCO2)CC1 1594733851 YWMFMIJZBAKSQV-RBUKOAKNSA-N 453.609 1.973 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1595788560 CVWDNGSZZAGIEX-SFHVURJKSA-N 470.559 1.047 30 10 JDEE C=CCN1CC[C@H](N(C)C(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1=O 1626246876 PGMZGZGYTPGFFL-INIZCTEOSA-N 454.568 1.994 30 10 JDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 1633311149 HTLBFDCMYCJNKQ-RTBURBONSA-N 454.552 1.973 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)CC1 1676733346 ZOYTXTJEEPBRAB-IBGZPJMESA-N 453.996 1.272 30 10 JDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1689878222 ASCQVYRZLGSUOB-SFHVURJKSA-N 479.628 1.622 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1689983991 IXXJIJICJZKXKB-NFBKMPQASA-N 495.653 1.469 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1689986033 HKKJCCUHPOWHKO-OALUTQOASA-N 460.604 1.257 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689996844 PUMLGUMDUUZVCD-WMZOPIPTSA-N 493.655 1.957 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccsc2)N(C)C)CC1 1690124970 XTJNLQFCHVJECO-RBUKOAKNSA-N 462.645 1.300 30 10 JDEE C#CCSCCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1690186435 QEGHATZVDVOZLA-QFIPXVFZSA-N 473.603 1.272 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690558087 DNPDLOVTZULQKD-QHCPKHFHSA-N 484.582 1.128 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1CC(=O)N1CCOCC1 1690572314 YWFOAMXEUDLKKY-UHFFFAOYSA-N 456.522 1.591 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2CCOC[C@@H]2C1 1690670671 GWWDHSJPMPMBAW-OALUTQOASA-N 489.621 1.216 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1690671194 QRJACECHNPFADA-GOSISDBHSA-N 452.559 1.791 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CCOC2)C1 1690729050 FHEHGIIKXWHONF-HXUWFJFHSA-N 465.601 1.487 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOC2=O)cc1 1692662486 HUXBPKIIFZDJHP-NVXWUHKLSA-N 458.544 1.923 30 10 JDEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1693391128 HGWKCWJIRYAEDZ-JOCHJYFZSA-N 469.571 1.353 30 10 JDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCC2)CC1=O 1698085167 IAQUCWYCSVGWOI-UHFFFAOYSA-N 451.575 1.988 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1705559446 ASRQVRKHNQCSHC-NVXWUHKLSA-N 489.989 1.875 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C1OCCO1 1705612472 HGMTXNODHBVROU-LJQANCHMSA-N 475.571 1.164 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2c(F)cccc2F)CC1 1705632931 FKJDYALCGSEJDY-OAHLLOKOSA-N 452.531 1.164 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(-n3cccn3)cc2)CC1 1705643872 CJWIVGYLVBHBNP-UHFFFAOYSA-N 474.569 1.616 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CC[S@@](=O)C(C)(C)C)CC1 1705647989 OOTVXIHOTPUYCR-UUWRZZSWSA-N 488.614 1.519 30 10 JDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705735476 RQZIOWABLHREGX-NRFANRHFSA-N 488.633 1.705 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cccnn2)CC1 1705890717 DJNDIVKJXZTDMZ-QGZVFWFLSA-N 456.551 1.889 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](OCC=C)C1 1705895401 FWYGUXGYLKQWMG-KRWDZBQOSA-N 473.603 1.630 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C(=O)NC)CC1 1705932974 PYKNVOUXLRYODP-UHFFFAOYSA-N 477.587 1.526 30 10 JDEE CC(C)N(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1706885697 CXZAERQDNQHRCW-QGZVFWFLSA-N 492.625 1.566 30 10 JDEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1711324633 DWPWYUVNSMVDET-JTSKRJEESA-N 472.571 1.126 30 10 JDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1712700273 FABZIIPWSRPZGF-UHFFFAOYSA-N 465.539 1.219 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1722363246 DVSPIKJVOXKRKS-ZWOKBUDYSA-N 472.558 1.992 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)CC1 1722440889 DIRYTMRKWFVVIM-UHFFFAOYSA-N 459.510 1.393 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1722441155 MJSOENRSTLLMJR-FHWLQOOXSA-N 486.539 1.020 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1722444398 JEXZUDNLSVTTBS-QGZVFWFLSA-N 472.615 1.648 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nncn1C 1722467702 DVATUVGEVCKXNW-OAQYLSRUSA-N 454.560 1.364 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722505142 AIUJKSOFVIJAGH-ZRNYENFQSA-N 465.620 1.466 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722693101 CZXFUCVVMPACBZ-OAQYLSRUSA-N 491.390 1.981 30 10 JDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722743222 UZUAIVFSTDKHLZ-UHFFFAOYSA-N 458.636 1.766 30 10 JDEE CC(=O)N1CCCN(c2nnc(COc3ccc(C)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1722774499 AVDGOQNLAIAGMY-VHXPQNKSSA-N 493.568 1.751 30 10 JDEE CCCNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1728183296 CGKXTXWEKILXPH-FQEVSTJZSA-N 465.558 1.880 30 10 JDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1740592539 ZCCFBONYWZLYMA-QZTJIDSGSA-N 458.563 1.811 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740618118 CIXAWLAAVWWODV-FQEVSTJZSA-N 487.626 1.691 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1740624856 KWKHXPUYIROUSD-KRWDZBQOSA-N 478.525 1.773 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1nnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 1740627082 DSPKXUHRDLWNKP-HUUCEWRRSA-N 464.617 1.954 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1740628983 XYVOHMDDPAGQEI-INIZCTEOSA-N 465.963 1.225 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCc2cnn(C)n2)CC1 1740701572 LZFGNWJEEKWEHT-UHFFFAOYSA-N 467.965 1.721 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1740717265 NRUYVVFSQDZLBU-BZSNNMDCSA-N 485.676 1.617 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC1 1740923837 WVBLRGOKSVQCBG-WMZOPIPTSA-N 467.617 1.902 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1740951280 UBIOWVJLXFCYHU-MRXNPFEDSA-N 474.587 1.417 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1740976310 VLIIUXIRFNDUSF-FXAWDEMLSA-N 452.964 1.929 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740988251 YHAJCFQOJHDYOO-UHFFFAOYSA-N 492.627 1.278 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1740990595 WRKSSMIWFZSWBJ-HXUWFJFHSA-N 472.571 1.866 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1740991126 OYTDOJGLNRCHSZ-JKSUJKDBSA-N 482.607 1.276 30 10 JDEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740999113 ZQTCMYZZQXDSIO-UHFFFAOYSA-N 481.626 1.717 30 10 JDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCN1CCOCC1 1741477812 GKSYTURUMSMOLC-IBGZPJMESA-N 453.595 1.576 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1748732132 TZUMYHAGWIPLON-ROUUACIJSA-N 473.603 1.860 30 10 JDEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1748824044 HSWWKEFWSMZERV-HCXYKTFWSA-N 493.630 1.855 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccnc2OCCCC)CC1 1748971462 QMUXVTFOEHFUFC-UHFFFAOYSA-N 451.575 1.892 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1749176010 WIJWWTOJJIIJTO-KRWDZBQOSA-N 467.617 1.785 30 10 JDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1749245315 GDYDQRYUFVPITC-UHFFFAOYSA-N 486.598 1.469 30 10 JDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1cnn(C)n1 1760235330 KETUOEHYSQRILF-GOSISDBHSA-N 458.567 1.807 30 10 JDEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1760264058 ZXNSOSARJILDSS-UHFFFAOYSA-N 489.667 1.574 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1760284126 GLIATCBTJJQDBK-UHFFFAOYSA-N 468.583 1.435 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 1760521167 LKJCRIMKGAMYEZ-FQEVSTJZSA-N 497.575 1.512 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1760555893 QBKABEKAUWLCHP-SJLPKXTDSA-N 476.578 1.684 30 10 JDEE C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]2CC[C@]1(O)C3 1775963114 UWKMRMSZJBDGGY-MKXZEIDCSA-N 494.581 1.506 30 10 JDEE Cc1cc(S(=O)(=O)N(C)C[C@H](O)CNS(=O)(=O)c2ccccc2C#N)ccc1Cl 1858029591 OITIHSHYGHOOKE-OAHLLOKOSA-N 457.961 1.480 30 10 JDEE C[C@@H](NC(=O)c1ccc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1)C(=O)Nc1cccc(C#N)c1 1866899985 MSCSGLQSVNCKQT-JPYJTQIMSA-N 495.605 1.624 30 10 JDEE COc1cc(OC)c(OC)cc1/C=N/n1c(SCCO)nnc1[C@H]1CC(=O)N(C(C)C)C1 1874342124 ZXRWZOIZHPPCFP-URMYYVDKSA-N 463.560 1.995 30 10 JDEE C=C(CS(=O)(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CO)C1)B1OC(C)(C)C(C)(C)O1 2255953335 HMBWGFHESDUNAR-HZPDHXFCSA-N 460.402 1.711 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2256628661 KZUPFUMDBNFTMZ-OAHLLOKOSA-N 456.370 1.162 30 10 JDEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256677702 YPJJGSYYRFWTDO-LBPRGKRZSA-N 455.390 1.043 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267523744 GROSHLLESRXDLT-OFQRWUPVSA-N 468.381 1.118 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C[C@H]1CO 2267534946 PFMOLRTVEOUVDS-KBPBESRZSA-N 467.397 1.790 30 10 JDEE Cn1nc(C(=O)N[C@H]2C[C@@](F)(CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267547372 JKHDRKLQPHCWKU-KIFPSNHUSA-N 452.336 1.845 30 10 JDEE CN1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)CC1=O 2268643455 KMKISMNBJHRWSS-LBPRGKRZSA-N 466.369 1.459 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)OC(C)(C)C 2281962048 UDGKTSWLIOUXDW-JKSUJKDBSA-N 464.372 1.614 30 10 JDEE C[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)N1CCN(C(=O)OC(C)(C)C)CC1 2282056891 YXCTZDJCWMKGFB-INIZCTEOSA-N 462.400 1.985 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@H](F)CN(C(=O)OC(C)(C)C)C1 2282335765 ULVJFLPXIQMMOF-UONOGXRCSA-N 488.391 1.345 30 10 JDEE Cc1nn(C)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2282564819 ZVZDKHPAHIBTGO-LSDHHAIUSA-N 464.372 1.128 30 10 JDEE CC[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282625258 SLPZDYULYVSPAB-HNNXBMFYSA-N 463.388 1.976 30 10 JDEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282716073 PCVUMLBUNAJGGJ-QFIPXVFZSA-N 450.392 1.927 30 10 JDEE CC1(C)OB(c2ccccc2S(=O)(=O)NC[C@H]2CNCCN2Cc2ccccc2)OC1(C)C 2282867934 GHXZQPRGQFMQDR-HXUWFJFHSA-N 471.432 1.738 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)Nc1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2359390721 PRKVTWOUZUVPLX-BRWVUGGUSA-N 482.770 1.919 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCO[C@H](CCNC(=O)OC(C)(C)C)C1 2362342695 WAGXSXOQALGPSE-OAHLLOKOSA-N 464.372 1.475 30 10 JDEE C=C(C)C(=O)O[C@H]1C[C@@](C)(OC(C)=O)C(=O)CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(COC(C)=O)=C12 4098111 DDRDDFBLSIAXPP-WMFJGPPASA-N 464.467 1.492 30 10 JDEE in-vitro C=CCNC(=O)CN1CCN(S(=O)(=O)c2c(Br)cc(F)cc2Br)CC1 507500705 ZUZHYBAOEHEQLE-UHFFFAOYSA-N 499.200 1.959 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(OC)cc2)CC1 516846094 FTERFINHOMAINY-UHFFFAOYSA-N 472.567 1.556 30 10 JDEE C[C@@H](C(=O)N1CCN(CCOC(=O)c2cccc(C#N)c2)CC1)N1C(=O)c2ccccc2C1=O 586394898 XEFJLJJGBHASGK-KRWDZBQOSA-N 460.490 1.544 30 10 JDEE N#Cc1c(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](CC(N)=O)N[C@]32C(=O)Nc3ccc(F)cc32)sc2c1CCCC2 1076125694 NFAWCQBGFWYSGT-RUFNJRMLSA-N 493.520 1.438 30 10 JDEE COC(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)cc1 1084072060 CWLVWQJUJGGLBE-UHFFFAOYSA-N 472.531 1.574 30 10 JDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1230269151 VIGGYJBJPBKZED-HKUYNNGSSA-N 451.545 1.470 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCN(CCN(C)C)CC1 1286284207 ZIUDJKJMVLJDGC-IBGZPJMESA-N 462.606 1.652 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1286339996 RUJSQRKSJLVWGU-NRFANRHFSA-N 470.643 1.978 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1286381311 GBTXGMNFOBTQPQ-KRWDZBQOSA-N 485.570 1.258 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCSCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1286385659 YFPPZJNOVSGYRN-MAUKXSAKSA-N 496.577 1.852 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1286397261 YMBTZKNYNONQGT-RTWAWAEBSA-N 463.648 1.919 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc2[nH]ccc12 1286448545 XSSYNDAVLNPZPS-FQEVSTJZSA-N 456.572 1.795 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(NC(C)=O)nc2)CC1 1286473745 WBSRPDUZQPBDRF-QHCPKHFHSA-N 453.547 1.087 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(NC(C)=O)cc2)CC1 1286494192 SLMXTWFNJOHFFH-OAQYLSRUSA-N 464.570 1.949 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1286784096 WGFVPWVAZXZHAC-OALUTQOASA-N 465.562 1.863 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)N2CCCCC2)C1 1286799861 BAEJNQOMSOWRPS-ROUUACIJSA-N 454.641 1.934 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1286820226 HOTPUSZRJDCSDR-QGZVFWFLSA-N 482.676 1.776 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cnn(C)c1 1286831725 JWDXAEDIRADASN-ROUUACIJSA-N 481.648 1.605 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1300482398 FMPRWRODJXHRJY-SFHVURJKSA-N 456.484 1.825 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2ccccc2C)n1CCS(=O)(=O)N1CCSCC1 1300537729 DMUDMBSGCPJTGP-UHFFFAOYSA-N 457.625 1.629 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccn(CC)c2=O)CC1 1300685296 KVTLFFPGIOJYIR-XMMPIXPASA-N 454.575 1.304 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)CN2CCOCC2)CC1 1300719587 HNTFORGUAQQOQX-LJQANCHMSA-N 453.591 1.218 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1300733623 YOGONBBTWCDZKM-UHFFFAOYSA-N 458.548 1.413 30 10 JDEE C#CCSCCn1c(COCC)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1300777549 YDNYNNCKUBRKBH-IXDOHACOSA-N 499.659 1.308 30 10 JDEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCNS(C)(=O)=O 1301018834 MYBGUFLGHBEQKM-UHFFFAOYSA-N 451.778 1.784 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1301189615 YIHBDXSWOJJOQH-QRQLOZEOSA-N 453.609 1.971 30 10 JDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1301239714 RURPHZRHFYZINH-SFHVURJKSA-N 482.651 1.852 30 10 JDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCOCC1 1301297661 SIVXRJRLJSWCKE-MRXNPFEDSA-N 464.567 1.491 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1301544672 ZOOJKUPGCOQJLR-UWJYYQICSA-N 484.525 1.877 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=C)Br)C1 1301555472 CDIVSHRAAUYEHO-CABCVRRESA-N 476.397 1.301 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1301589798 XIRDBSSVIOAZCN-KRWDZBQOSA-N 453.609 1.295 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)NC[C@H]2C1 1301593884 WSIQGYIBPZGBPZ-SFHVURJKSA-N 474.587 1.234 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC(C)(C)C(=O)NC)c1 1358900449 KUGWXBVOWZWBLE-UHFFFAOYSA-N 465.558 1.343 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358961628 CBKHRUSSXPULHB-HKUYNNGSSA-N 457.556 1.325 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1358965799 BIBHZQMJOLVPQB-CVDCTZTESA-N 474.583 1.252 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1359029286 SVEIRXQPGJMOKV-UHFFFAOYSA-N 491.552 1.109 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)NCCc2ccccc2)CC1 1359044451 GOMZENYSSCCIMO-QFIPXVFZSA-N 478.597 1.497 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1359107931 YGJLDVYDVKFQSR-MSOLQXFVSA-N 477.635 1.959 30 10 JDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1359135898 RFGQFCBXROSMCU-UHFFFAOYSA-N 450.547 1.586 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1359202939 FQYAHGMQMQAXDK-QZTJIDSGSA-N 451.593 1.364 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1359292656 VEEOZAMNKDAJEN-LJQANCHMSA-N 482.976 1.340 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359296262 CQIXQWHYLIOSNH-KRWDZBQOSA-N 477.587 1.668 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1359326966 OHYPNJCPLIJTKD-UHFFFAOYSA-N 480.679 1.773 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)NC)CC1 1359328005 QMULUHOEFIVOFV-UHFFFAOYSA-N 452.968 1.661 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1359329150 AAAPYVQSEGDZFL-UHFFFAOYSA-N 461.588 1.859 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1359342787 FIEYJWJVNBULNI-INIZCTEOSA-N 454.622 1.660 30 10 JDEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359345570 KBQPKPSULBNNKF-UHFFFAOYSA-N 488.589 1.843 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)ccc1F 1466737542 PXVSUHIWJLVDFF-GDBMZVCRSA-N 452.508 1.779 30 10 JDEE C=CC1(CC(=O)N2CCC[C@@H](S(=O)(=O)N(C)CCOC)C2)CN(C(=O)OC(C)(C)C)C1 1467708281 WZQGSRJUDKJRKN-QGZVFWFLSA-N 459.609 1.699 30 10 JDEE COc1ccccc1O[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1504428019 DDOURCLYICZVOH-OWCLPIDISA-N 464.548 1.093 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCS(=O)(=O)N(C)C)c1 1507548662 BZVHYHDCYQKDAI-UHFFFAOYSA-N 467.555 1.288 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1507631707 RXJLOMCNIXXSSK-QRQCRPRQSA-N 470.555 1.382 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCC(=O)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507632172 XVMNNJRSMOXKCH-HXUWFJFHSA-N 464.551 1.996 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1507637188 ABIYLQICDRMJPO-GOSISDBHSA-N 473.628 1.856 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2conc2COC)CC1 1507716266 PIHIIRBPCLYYDP-UHFFFAOYSA-N 483.960 1.799 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C2CC2)N(C)C)CC1 1507735693 FOZUDCQGDMSMLA-BWKNWUBXSA-N 472.634 1.625 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCn2cc(Cl)cn2)CC1 1507736308 OHLJWPXFJYMUOL-HSZRJFAPSA-N 490.008 1.835 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CCSC2)CC1 1507742474 ITPDPQQARCRFLL-QHCPKHFHSA-N 475.565 1.981 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CCOC2)CC1 1507751099 JUFGCOGEEBJAJN-MOPGFXCFSA-N 483.660 1.230 30 10 JDEE C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1507833185 AFEAYQNOPMNZHK-UHFFFAOYSA-N 480.573 1.517 30 10 JDEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1507867093 GSQDUWJACLJGJW-UHFFFAOYSA-N 463.951 1.656 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2ncccn2)CC1 1508071102 AXNKISKLAMAHNM-UHFFFAOYSA-N 464.530 1.381 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCNS(C)(=O)=O 1508074225 PFOQIKLCBUQJLY-UHFFFAOYSA-N 461.375 1.540 30 10 JDEE C=CCNC(=O)Cn1c(N2CCc3c(ccnc3N(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508096473 ALHSKPDMJCCTQV-XMMPIXPASA-N 469.590 1.645 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](CNC(C)=O)C1 1508144826 YBYPCDGOPUZVNU-IBGZPJMESA-N 463.608 1.093 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CCCCC1 1509949402 CROAJMNMCZBROE-RBUKOAKNSA-N 464.636 1.954 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCOC1 1513393567 DBMCRTHYGZBWIB-QGZVFWFLSA-N 469.594 1.473 30 10 JDEE CO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)C1 1518581814 HNNGNGGWAHVQQL-IBGZPJMESA-N 471.543 1.540 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)C(C)C)c1 1539043615 RZQABBLMBUAZOL-LJQANCHMSA-N 472.615 1.577 30 10 JDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539104719 ORLMLXBHVUXOGY-UHFFFAOYSA-N 469.575 1.242 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CC[C@@H](C(F)F)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539204128 ZAIXBUSEYLDMSI-SJORKVTESA-N 473.590 1.558 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1539206890 WPCDPBPPOMGNJT-PXNSSMCTSA-N 450.948 1.377 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)c1 1539293339 JALHSDWPTKOSLE-PMACEKPBSA-N 459.612 1.746 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cc(C)cc(C)c1 1539325122 CFDKFBNTCRFFGM-JOCHJYFZSA-N 485.610 1.770 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2(OCCOC)CCOCC2)CC1 1539476066 RRKBOYFMLMSGLO-UHFFFAOYSA-N 484.601 1.462 30 10 JDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(=O)N1CCOCC1 1539519920 LBKOTAJPHYYHKV-UHFFFAOYSA-N 453.572 1.178 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)c(OC)c1 1539556686 GPDZUSKQZRYJQL-NZQKXSOJSA-N 473.599 1.968 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCc2ccccc2)CC1 1540858377 UKEYAVDGSNSBNH-HXUWFJFHSA-N 461.588 1.983 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1540866598 SUYKTVVSERUWMV-HNNXBMFYSA-N 489.983 1.829 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1540901100 SKNPCFGQCREEDV-GHTZIAJQSA-N 489.646 1.253 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1540906933 HDIFZEGQEXQAQK-IAGOWNOFSA-N 479.628 1.733 30 10 JDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1541808678 HOHFGYBGIVGFPK-RHSMWYFYSA-N 465.480 1.780 30 10 JDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1547239128 BBEJSHQAOCYORP-GOSISDBHSA-N 473.603 1.499 30 10 JDEE COCCN1C[C@H](Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1555574506 IBFKPSTUXQQXDA-QUCCMNQESA-N 454.531 1.389 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@](CO)(NC(=O)OC(C)(C)C)C2)cc1 1558631977 TXMCPYQZASXTBJ-NRFANRHFSA-N 453.561 1.643 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CC(C)C)c1C 1587640814 VJSGHFJQHXIIRE-LPHOPBHVSA-N 463.608 1.278 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC2(C(N)=O)CCOCC2)c1 1587692494 GAVMCTLXVGVGJX-LJQANCHMSA-N 480.569 1.510 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc([C@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1588034695 KOJXGGZANBEZLI-VNZMSGEBSA-N 488.610 1.659 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(NC(N)=O)cc2)CC1 1588914055 UHAQUESKYZAIIW-UHFFFAOYSA-N 458.526 1.845 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)OC(C)(C)C)CC1 1588930296 SBZBIZZWQUGEOS-GOSISDBHSA-N 460.579 1.663 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNS(C)(=O)=O 1589662856 COOAMAZWXHCKAI-MRXNPFEDSA-N 472.612 1.538 30 10 JDEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1593914838 PYUSGAFZGWNVFJ-CQSZACIVSA-N 495.765 1.519 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)Cc2ccccc2)C1 1595723605 YQLUICXJRBEXFU-WOJBJXKFSA-N 494.639 1.577 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCCCO1 1608578805 HKAHQSIANMHRKS-DLBZAZTESA-N 453.551 1.362 30 10 JDEE CCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCNS(=O)(=O)Cc1ccon1 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C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2OCCC2(C)C)C1 1705926225 ZSXWGWUXWMBZDS-KZNAEPCWSA-N 469.608 1.207 30 10 JDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1706314602 DEVGHTPWJFSKDF-OAQYLSRUSA-N 479.633 1.937 30 10 JDEE CCCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCCS2(=O)=O)c2ccccc2c1=O 1709803415 HKDQYBUJVRYAGN-KRWDZBQOSA-N 498.613 1.839 30 10 JDEE COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)C1 1712254106 CPFLXWBQDLYPGJ-GOSISDBHSA-N 464.530 1.745 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(OC)cc1 1722294112 GEAPJXAFEXJXRU-SQGPQFPESA-N 477.587 1.545 30 10 JDEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1722361410 MYPWEASDUBLHMI-KRWDZBQOSA-N 454.556 1.579 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN(CC)S(C)(=O)=O 1722376608 VMKAKBBTMWNTMU-UHFFFAOYSA-N 467.393 1.780 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc2C1 1722391231 YHNUMGPEOUYNAB-PMACEKPBSA-N 468.627 1.798 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCC(C)(C)O)CC1 1722446320 RTWUREUXKOGWSS-UHFFFAOYSA-N 463.542 1.721 30 10 JDEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722610239 NJDGEFWRMLKHAQ-INIZCTEOSA-N 495.675 1.983 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722698268 XSZYGYMJEDDYKG-QGZVFWFLSA-N 470.555 1.916 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722701116 GRAAFAZLQWVWIO-QPPBQGQZSA-N 493.656 1.744 30 10 JDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1730730800 BLFCPZXTKNYHQK-NRFANRHFSA-N 451.575 1.986 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC2(CCCCC2)O1)[C@H]1CCS(=O)(=O)C1 1740615727 JWLKCYHEXHOPNF-RBUKOAKNSA-N 477.631 1.925 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=C)C)[C@H]1CCS(=O)(=O)C1 1740623675 ZCZBYRAZKXTGTO-INIZCTEOSA-N 452.540 1.395 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1740624210 DPENYKLPNWXTRL-IEBWSBKVSA-N 497.042 1.584 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1740626593 CABYRAHWAYAJRP-XMSQKQJNSA-N 478.546 1.428 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1740689694 GVEBUCMWDUQYCA-UHFFFAOYSA-N 472.553 1.479 30 10 JDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1740777574 NOZJNADGIUFCMC-UHFFFAOYSA-N 480.573 1.442 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(C)C(=O)[C@@H]1C 1740953367 CXKLRXMQNBCCKL-ZDUSSCGKSA-N 477.363 1.685 30 10 JDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1740963048 XTCFDXZRURYCHZ-UHFFFAOYSA-N 486.642 1.965 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740985801 LZROTDQMJHMFGW-HOCLYGCPSA-N 452.581 1.159 30 10 JDEE CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1747415919 IBXJCEYNAHKBRQ-LJQANCHMSA-N 454.556 1.829 30 10 JDEE CN1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1(C)C 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30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCCC[C@@H]2CC)CC1 1507735773 GWYMACGSGFCMFQ-QUCCMNQESA-N 493.678 1.119 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC2(O)CC(OCC)C2)CC1 1507740416 SWGMDHMNVPRJLX-UHFFFAOYSA-N 472.615 1.530 30 10 JDEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(S(C)(=O)=O)CC1 1508061839 YWBXNYIOMGPVJO-INIZCTEOSA-N 454.597 1.660 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1508077189 LDCATERVESWUJN-UHFFFAOYSA-N 467.618 1.803 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1508135777 ASKMMIJPNVYZRI-UHFFFAOYSA-N 488.614 1.892 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC2(CC1)CNC(=O)C2 1508144705 SFAKUCCGJOSYFJ-UHFFFAOYSA-N 464.617 1.341 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1508144844 YHBUDJQOUNKRGM-MJGOQNOKSA-N 475.571 1.435 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1519222042 CWQWRTMYZUBKLE-WZONZLPQSA-N 456.547 1.037 30 10 JDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOc2cccc(OC)c2)CC1 1539115777 BOLAIGMVLDSPML-NRFANRHFSA-N 452.559 1.852 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)N1CCCCC1 1539153855 BUVZBMIYAWWIRQ-UHFFFAOYSA-N 458.588 1.667 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CC[C@@H](C(F)F)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539211649 MYWMTIUDCMYDLV-MJGOQNOKSA-N 494.568 1.323 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1539211997 QOHKALRXIZSXAE-CVDCTZTESA-N 465.535 1.944 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCCC1=O 1539240137 XXRJWLZOPWDCIV-SFHVURJKSA-N 468.583 1.132 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cc(C)oc1C 1539326108 RXLSAJQQTPPCME-NFBKMPQASA-N 489.598 1.191 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1539477521 PJLFYCNDEMTQPT-FQEVSTJZSA-N 450.591 1.821 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC2(O)CCOCC2)CC1 1539487930 BHBSAJXQFRBYSI-UHFFFAOYSA-N 467.570 1.673 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ncccc1F 1539668824 GRHSSJJGVMFJAH-KRWDZBQOSA-N 468.555 1.627 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1540127366 RJFGESDGMGINFY-HSZRJFAPSA-N 482.566 1.668 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1540869476 OKIAGUIIXNWHJR-MRXNPFEDSA-N 478.557 1.639 30 10 JDEE CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C#N)CC1 1548317688 FTWNILRZTHTQEZ-UHFFFAOYSA-N 455.544 1.367 30 10 JDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC 1558163043 BEEMFZYOOMRHGE-AWEZNQCLSA-N 450.293 1.295 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)N1CCN(c2cnccc2C#N)CC1 1569814497 AMNLKDQAHJVZIN-GOSISDBHSA-N 456.547 1.508 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CC(C)C)c1C 1587640800 VJSGHFJQHXIIRE-APWZRJJASA-N 463.608 1.278 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccc(C)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588024739 KHLFCQGWSBBLDY-RTWAWAEBSA-N 486.642 1.654 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588034692 KMOZDPSKYWWZGN-SZVBFZGTSA-N 477.612 1.403 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(F)(F)Br)[C@H]1CCS(=O)(=O)C1 1588050156 PFHBTVDOCOWYPX-LBPRGKRZSA-N 463.308 1.293 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccnc(OCC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1588075133 YPDZFZPCUOJMCD-MRXNPFEDSA-N 487.504 1.826 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2OCCC2(C)C)CC1 1588763178 SONIUEDXCHKCAH-FQEVSTJZSA-N 457.600 1.919 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1588864689 IYNAPXWEJCWZCF-WOJBJXKFSA-N 457.623 1.044 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC(=O)NCC(F)F)CC1 1588947664 SIPCMZCAAJMOLR-UHFFFAOYSA-N 458.513 1.524 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1589069908 OSFSJWANXSLBFO-DOTOQJQBSA-N 492.623 1.617 30 10 JDEE C=CCCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C(=O)NC)C1 1594812450 GAZPUXFTZZYSGB-RBUKOAKNSA-N 492.621 1.937 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1595109402 YSDPPAHLBWJZGP-JOCHJYFZSA-N 459.572 1.256 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1595405394 NDSVISHFQDXIDX-DFQSSKMNSA-N 492.650 1.050 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1595555584 DFURBGMEGOKKMO-LJQANCHMSA-N 456.522 1.138 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)COC)CC1 1595639763 JPWXWODPQYQKSU-UHFFFAOYSA-N 482.585 1.859 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(NC(C)=O)cc2)C1 1595722069 IQUPYFSIWHEYNX-UYAOXDASSA-N 459.572 1.968 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1595772539 BNSOFKGYKCFGEC-ZDUSSCGKSA-N 461.997 1.464 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)OC)CC1 1595777349 LIMCATKYKYMEGT-UHFFFAOYSA-N 470.555 1.983 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1595784560 IVBDIIUSUDUGKQ-UHFFFAOYSA-N 484.561 1.617 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](NC(C)=O)C1 1595823740 SEDGIESKYZBWIE-FQEVSTJZSA-N 470.599 1.987 30 10 JDEE Cc1noc([C@@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CCS(=O)(=O)N(C)C)C2)n1 1612637719 BPHWULBRAUGUDS-GOSISDBHSA-N 470.559 1.784 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC2(NC(=O)OC(C)(C)C)CCOCC2)cc1 1641530586 BUCMUZVEEWJXJE-UHFFFAOYSA-N 453.561 1.955 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC(CC(=O)NC)CC3)nnc12 1648619777 XZFPENPERKFHCU-UHFFFAOYSA-N 454.556 1.697 30 10 JDEE C#CCN(C(=O)NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)[C@@H]1CCS(=O)(=O)C1 1682944993 CHYSPWMSTFMFGA-GOSISDBHSA-N 458.540 1.388 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccccc1CN1CC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1689979455 BMLKLIFIXSWJRF-YADHBBJMSA-N 485.654 1.817 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccc(S(=O)(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1689990974 UGMTYKHWHPRRDD-SFHVURJKSA-N 493.655 1.450 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cccc(F)c1 1690019453 JAWWEOCRTOMLJL-HXUWFJFHSA-N 459.547 1.456 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCOC 1690046283 ACRMPSITZYBJDM-LJQANCHMSA-N 457.556 1.112 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1690104333 TVAVZNFSCOZHJE-FQEVSTJZSA-N 452.559 1.217 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1690117661 QPFGRAZQBTYFNG-QGZVFWFLSA-N 474.968 1.988 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1690120493 WNRBWTUJHNWJIY-UHFFFAOYSA-N 451.556 1.137 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCS(C)(=O)=O)CC1 1690138081 RNDMGXJDJHOFBR-INIZCTEOSA-N 477.562 1.568 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CCOC[C@H]2C)CC1 1690139956 GHYLNLDOFUIPDJ-LJQANCHMSA-N 496.612 1.649 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCCN2CCOCC2)CC1 1690146461 OCNMKVPRIKNXFE-NRFANRHFSA-N 458.607 1.598 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(OCC(N)=O)CC1 1690250055 CPGYSYKKLSJBLV-IERDGZPVSA-N 488.614 1.722 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNS(=O)(=O)c1ccccc1 1690265390 NUPJTHJQXILVBQ-KRWDZBQOSA-N 467.617 1.561 30 10 JDEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690340957 CTXIJHKILGBTTB-LJQANCHMSA-N 451.984 1.953 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1690671439 WAXDGFUMNNTMLS-KSSFIOAISA-N 497.980 1.853 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](n3nc(C)nc3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1690677400 WCWQSGAACCWIBI-CVDCTZTESA-N 472.594 1.671 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C(=O)OC)C2)cc1 1690679234 OJKZYHMKTCEKJA-DOTOQJQBSA-N 463.560 1.501 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H](COC)OC)C1 1690696771 ISBBSSDDVTUITN-DLBZAZTESA-N 454.531 1.635 30 10 JDEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1691003348 GBRCGLCGIGBPLY-YRXWBPOGSA-N 468.624 1.658 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCC(F)F 1696676114 ASJHYRTVCROLPA-UHFFFAOYSA-N 454.441 1.815 30 10 JDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCN2CCCO)c1 1698293407 CSMSYIUELFQCKO-XMSQKQJNSA-N 476.578 1.637 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(Cl)c1 1705551341 MAQQEVHUMNEKMT-KRWDZBQOSA-N 453.952 1.413 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1705568514 OVBAGBSNINGIJX-SJORKVTESA-N 465.645 1.559 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccc(CC)cc1)[C@@H]1CCS(=O)(=O)C1 1705569006 YCYUZQOLYHTHSK-OAQYLSRUSA-N 469.611 1.832 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1705571488 ZXDUCOGAOMQFAW-RBUKOAKNSA-N 479.628 1.456 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cscc2C)CC1 1705645537 WXDAOPWZTXDHTL-OAHLLOKOSA-N 464.617 1.272 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCCN2CCN(CC)CC2)CC1 1705648961 FINCGFIQABHHPH-UHFFFAOYSA-N 478.645 1.724 30 10 JDEE C#CCSCCn1c(CC2CC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1705664207 XTHNSFDFBMTRGH-SFHVURJKSA-N 453.634 1.228 30 10 JDEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705681149 ODJMAUTXNSTVCU-CQSZACIVSA-N 453.385 1.971 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCCS(C)(=O)=O 1705693927 MEHICCSEBFCFDQ-SJLPKXTDSA-N 462.576 1.778 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC1CCCCC1)C1CC1 1705855246 YVIOSDYEPPKQIA-SFHVURJKSA-N 466.608 1.215 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCCC2=O)c1 1705884507 QDMMPLFZSOWPDH-LJQANCHMSA-N 473.599 1.994 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1705891029 VKLDYVDBGMVYLU-NRFANRHFSA-N 490.630 1.518 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)N(CC)CC)CC1 1705898896 BMHYQPFEOKZSPH-UHFFFAOYSA-N 483.573 1.602 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1705906205 WWTJPKSSIRVWBQ-FQEVSTJZSA-N 457.648 1.837 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705938186 PSBMNKAUEGKPJH-QGZVFWFLSA-N 489.019 1.735 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(N2CCOC2=O)cc1 1706848425 FAZDTBWQGMFFNC-CABCVRRESA-N 461.548 1.632 30 10 JDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1722337878 JNJIQKFCCJROKZ-IBGZPJMESA-N 483.642 1.816 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1722364720 AWPSTKVKEVIXAO-NMLBUPMWSA-N 450.605 1.860 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1722366411 RJXFAIXMYRVFSO-YDHSSHFGSA-N 480.631 1.761 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1722366685 SBYNTCGMVFRSPN-UKRRQHHQSA-N 470.393 1.945 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCOc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1722372215 RMMSAEVGDPTDGV-MRXNPFEDSA-N 493.536 1.384 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 1722383550 JAHCEQVEWWLNJD-XPWALMASSA-N 497.621 1.852 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CN(C(=O)OC(C)(C)C)C1 1722390154 OVAJXNXWXNEAJQ-MRXNPFEDSA-N 464.592 1.218 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1 1722397888 WJXBXYSPXZPNDZ-HXUWFJFHSA-N 457.556 1.153 30 10 JDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(S(C)(=O)=O)CC1 1722399187 PURKFAGKVFWETP-UHFFFAOYSA-N 494.665 1.683 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(S(C)(=O)=O)CCC2)CC1 1722431781 SIDPUCOPLWYYBP-JOCHJYFZSA-N 465.620 1.041 30 10 JDEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(=O)N2CCOCC2)CC1 1722577021 ZPBGORXYHIJHCB-UHFFFAOYSA-N 473.599 2.000 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2nc(CC)ns2)CC1 1722693512 QDUSIILLLFXWPA-UHFFFAOYSA-N 468.587 1.996 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1722705854 IYQQIBGGPMAOGG-HXUWFJFHSA-N 467.530 1.479 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC(F)(F)Br)[C@@H]1CCS(=O)(=O)C1 1740623513 VRNRENWOJDAUBS-LLVKDONJSA-N 461.292 1.350 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1c(F)cccc1F)N(C)C 1740662703 VRKSDLLPMOHPJO-WMLDXEAASA-N 454.547 1.929 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1740736312 HUQJOTPPUCVSEZ-UHFFFAOYSA-N 470.416 1.315 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1740779289 ZAXJDNVWOXCMDQ-MRXNPFEDSA-N 464.596 1.288 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1740793905 ZFTISFAMKOQXGY-NJYVYQBISA-N 459.639 1.817 30 10 JDEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)COC)CC1)c1ccccc1 1740801722 BDZYEYAIEXPWGB-IBGZPJMESA-N 473.599 1.625 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1740839188 HHORMXFZXYKAGY-PMACEKPBSA-N 478.663 1.525 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1740953815 RUDZYBKFYSPDJJ-HSZRJFAPSA-N 497.644 1.487 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCCS2(=O)=O)C1 1740975758 XQXCVKRBGSXYEO-SFHVURJKSA-N 495.627 1.165 30 10 JDEE CCCN(CC)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1745610844 AGFHGDYXEQTKPC-IBGZPJMESA-N 451.579 1.554 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(C(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1747424803 GRWSHASVCPKZSD-UHFFFAOYSA-N 477.639 1.313 30 10 JDEE CN(C)S(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1747605892 ABEVYGVXBOUBAQ-GOSISDBHSA-N 474.591 1.004 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748802232 NTCWNGDNQHEOGC-GOSISDBHSA-N 480.550 1.631 30 10 JDEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1748805693 UZPLXQYKLCUFTG-IBGZPJMESA-N 480.594 1.955 30 10 JDEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1748808555 KZJBCZLBHZGFQB-RDJZCZTQSA-N 496.680 1.803 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1748821291 OHPHGGUVCUKRPP-LJQANCHMSA-N 487.626 1.873 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H](C)N1CCOCC1 1748830943 BABWNZFFBGDZHL-GOSISDBHSA-N 453.543 1.764 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCc1ccco1 1748891705 DPJQLXSHKPAIPV-FQEVSTJZSA-N 496.568 1.959 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(C(N)=O)CCOCC1 1748964041 FFFYAGFGPVNKNC-IBGZPJMESA-N 455.515 1.159 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CCCn2cnnn2)CC1 1748999251 NEEZALGSNSZHKP-UHFFFAOYSA-N 486.378 1.452 30 10 JDEE C=C(Br)Cn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749112778 OVMKOSJYWXFLBO-QLFBSQMISA-N 499.410 1.909 30 10 JDEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](C)C1)c1ccccc1 1749244324 KLHFSSCWOXKHFJ-BJLQDIEVSA-N 461.588 1.938 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1749669923 MHOXBSWVLWRPLJ-LJQANCHMSA-N 456.522 1.923 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(OC)c(F)c1 1749732562 YXTSIUQKBITAMG-MRXNPFEDSA-N 451.524 1.614 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1749736614 MIOHNGCAOATFSK-UHFFFAOYSA-N 489.671 1.868 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(c2ccnn2C)CC1 1749737073 WWSMSCZHYSDPJO-UHFFFAOYSA-N 455.588 1.982 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(C)=O)CC1 1749738089 FBNHAMKZMCCOTG-UHFFFAOYSA-N 461.588 1.743 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC1(N(C)C)CCOCC1 1751191583 GFQCIJQYXVPNSL-KRWDZBQOSA-N 475.619 1.507 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1760145246 KYWOKKUELJVQRH-ZBFHGGJFSA-N 463.560 1.373 30 10 JDEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760149198 ABLMNSMSNCYXHB-INIZCTEOSA-N 471.359 1.576 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(S(C)(=O)=O)CC1 1760206177 SMKRRIUJLKNKRU-UHFFFAOYSA-N 453.572 1.102 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1NC(=O)CC1(C)C 1760249139 HZANZFCIXCUDNG-ROUUACIJSA-N 490.605 1.587 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1760264349 JMHKLQXUAJZPQH-SFHVURJKSA-N 459.572 1.056 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1760322392 RXORFQKGALINSN-WPVAHCMFSA-N 483.635 1.596 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1760440054 AYSOEOFRNUJOGX-OFNKIYASSA-N 475.615 1.984 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1760440240 FDKKFRUTGKWJHF-ICSRJNTNSA-N 482.651 1.267 30 10 JDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1760456847 YPGXEXMICUTHEH-SJORKVTESA-N 452.581 1.485 30 10 JDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1760457372 PDMXNFURQLGRRQ-CZIZESTLSA-N 456.528 1.497 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCOC1 1760480129 MAPUYXGWDZXYJO-SIKLNZKXSA-N 457.556 1.396 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1760527902 LWIJFEBYXTVXNF-HNNXBMFYSA-N 461.979 1.740 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(C(N)=O)(c3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760528346 AAYFQMUSLIQYBM-AREMUKBSSA-N 496.612 1.644 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCN(S(C)(=O)=O)CC1 1760553187 NVGGZARGIWUQKI-UHFFFAOYSA-N 490.611 1.176 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1766943822 BEPSMVKICIABJG-UHFFFAOYSA-N 473.603 1.403 30 10 JDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1767767906 GLWOYZCETIERPB-FQEVSTJZSA-N 466.590 1.332 30 10 JDEE NCC(=O)NCCCOCCOCCOCCCNC(=O)OC[C@@H]1[C@H]2CCC#CCC[C@H]21 1857791782 MZZHRBCWKALCAE-AERCQKQUSA-N 453.580 1.057 30 10 JDEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN2CCC(N(C)C)CC2)cc1=O 1870561524 QWIPIPJHSXUQNN-UHFFFAOYSA-N 472.611 1.276 30 10 JDEE C=CCn1c(C(=O)NC[C@H](c2ccc(O)cc2)N(C)C)cc2c(N3CCN(CCO)CC3)ncnc21 1873595512 GNPCVEZQCQYSLD-HSZRJFAPSA-N 493.612 1.470 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1964926211 XFTYXOFRGQILQM-UXHICEINSA-N 476.599 1.647 30 10 JDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)CCS(=O)(=O)C1 2060642206 SYUATKARYJSCSX-DHRDCHLVSA-N 458.386 1.809 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2266991556 IBAPCKYDUMNHKO-UKRRQHHQSA-N 467.397 1.790 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CO1 2267099047 GVNZWYUOOYBEFW-KBPBESRZSA-N 450.345 1.369 30 10 JDEE CC(C)(C)OC(=O)NC[C@]1(O)CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2267150334 DBHMJPSNSRLYMQ-OAQYLSRUSA-N 467.397 1.934 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2267269712 GXRQVYXGGVSDHG-JTQLQIEISA-N 463.266 1.300 30 10 JDEE CO[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@H]1NC(=O)OC(C)(C)C 2267493869 NXPYGDOOHQPRHQ-HUUCEWRRSA-N 450.345 1.083 30 10 JDEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282030701 JHVYNIBSOFVRCI-CVEARBPZSA-N 462.356 1.530 30 10 JDEE Cn1nc(C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282037704 YVXRBBNITVWQHC-LLVKDONJSA-N 478.708 1.903 30 10 JDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2nn(C)c(Cl)c2B2OC(C)(C)C(C)(C)O2)C1 2282048698 PIGMGVBCBMSUGY-GHMZBOCLSA-N 478.708 1.902 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC[C@@]1(C)CNC(=O)OC(C)(C)C 2282316472 CTLIIIYOOINRDT-FQEVSTJZSA-N 485.416 1.182 30 10 JDEE CC(C)(C)OC(=O)NCc1nc(NS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2282343465 DXUUEMGHGLUDSX-UHFFFAOYSA-N 479.368 1.929 30 10 JDEE CN([C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282490090 HFGVTUBHWJPMHT-FOLVSLTJSA-N 482.412 1.205 30 10 JDEE CCn1cc(C(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282546427 ZUHLXFGLDSWDMJ-LJQANCHMSA-N 498.389 1.970 30 10 JDEE 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COCCn1cc(C=NNc2nc(SCC(=O)NCCc3ccc(OC)c(OC)c3)n[nH]2)cn1 1084436968 IRBDKKBYCOEIQY-UHFFFAOYSA-N 488.574 1.562 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1COCCN1C(=O)OCc1ccccc1 1266190703 GKUGLSMIEBYBGS-PXNSSMCTSA-N 450.499 1.423 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1286387177 BCSNGCLBYCGSEV-KRWDZBQOSA-N 489.598 1.504 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CC1(O)CCN(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1286391375 HPTWOTTUZXEUEA-QHCPKHFHSA-N 499.681 1.925 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(F)c(F)c1 1286421297 WYGLBAPXNYWDSV-HNNXBMFYSA-N 451.499 1.708 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(O)CCOCC2)CC1 1286469417 DSUCHQHJBATYGO-UHFFFAOYSA-N 452.559 1.444 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2nncn2C)CC1 1286492635 OPRXHNMXJKXNBY-UHFFFAOYSA-N 468.949 1.653 30 10 JDEE C#CCSCCn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286504027 LYKSZRNFPLTOEH-RXVVDRJESA-N 455.632 1.639 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC[C@H]1C 1286523180 QXNQBHJFODMMBH-ZRCGQRJVSA-N 478.663 1.868 30 10 JDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286706041 JFSUQDXHAZKHEK-OAQYLSRUSA-N 460.560 1.533 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C 1286750665 FKDGAPDCEXUVHA-VQTJNVASSA-N 453.595 1.591 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286796637 MGDJFUFVBHPCQN-GOSISDBHSA-N 481.557 1.502 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)cc2F)C1 1286808713 DUJZJJHFZHFSMH-MJGOQNOKSA-N 483.541 1.719 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286823986 SMABRCHZHFFFIF-QGZVFWFLSA-N 478.550 1.153 30 10 JDEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1286925121 BYNUZIISDBHOCC-FQEVSTJZSA-N 465.558 1.607 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1288271929 CAPDXYIVXXHLLG-UHFFFAOYSA-N 499.576 1.400 30 10 JDEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CCOC)[C@@H](C)C2)CC1 1296123546 BBNLINAUQDLFRB-VXKWHMMOSA-N 480.661 2.000 30 10 JDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 1297702731 FVVUGCQQJYRBQY-UHFFFAOYSA-N 450.513 1.816 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCN1CCOC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1300499497 SSBATZLWVBVZIM-QFIPXVFZSA-N 485.654 1.915 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300503936 HGDZCTPUJQKXSI-NJYVYQBISA-N 474.631 1.972 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1300504857 UUGYVBXRFJRAMH-HXUWFJFHSA-N 468.583 1.997 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCO[C@@H]1C 1300561407 QDCJTBPHSZJUGL-JPYJTQIMSA-N 471.583 1.198 30 10 JDEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1300675403 QOGNEKDUGDERDP-LJQANCHMSA-N 457.556 1.640 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCn2ccnn2)CC1 1300716365 LKTNZUFMWSBJQF-UHFFFAOYSA-N 478.557 1.610 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ccn(C)n2)CC1 1300718611 BIXPALXDEDOVMA-UHFFFAOYSA-N 463.542 1.710 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1300743417 PHMUHPBCFRPBNO-KRWDZBQOSA-N 468.626 1.338 30 10 JDEE C=C(C)Cn1c(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)nnc1[C@]1(OCC)CCOC1 1300970431 UYLSDEIKUHUPJY-FQEVSTJZSA-N 482.632 1.782 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CCOc2ccccc2)CC1 1301500521 NADVJTDPZNMWML-FQEVSTJZSA-N 454.575 1.675 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)cc1 1301518533 JHMDDVZAFIIIMF-NVXWUHKLSA-N 483.616 1.125 30 10 JDEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1301611215 JODWUEPHXDFQJH-UHFFFAOYSA-N 472.590 1.854 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1 1316101058 CIYUEUUJYQFVJL-GOSISDBHSA-N 482.994 1.679 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2ccco2)c1 1358902266 JGMNPTZFAWNHTK-HOYKHHGWSA-N 497.577 1.737 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1cc(OC)cc(OC)c1 1358929551 CERZVXOYAITVLA-IBGZPJMESA-N 463.560 1.810 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCOc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1358955518 NMMOTWOTASEPBI-IBGZPJMESA-N 473.599 1.739 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358980706 HCKGFALVPPZBPA-RTWAWAEBSA-N 452.584 1.541 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCC(F)(F)F 1359002766 LZODSPBXGYJIOP-UHFFFAOYSA-N 472.493 1.333 30 10 JDEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1359030626 ZRGYDXATLFGEHS-OAQYLSRUSA-N 471.627 1.515 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1359040172 KOLOHCJWLVXRQM-NSXLHWASSA-N 457.550 1.804 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1Cc2ccccc2O1 1359272589 XDKPCKFYZCTBKS-ICSRJNTNSA-N 459.572 1.793 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1359321528 HQJNFPXAVLAZBH-CMKODMSKSA-N 491.589 1.445 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1359332808 HQAQZDKHQXUKSS-LJQANCHMSA-N 488.614 1.941 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)c2sc(N3CCOCC3)nc2-c2ccccc2)CC1 1467813672 CXYDQJHBHWZSHV-UHFFFAOYSA-N 453.568 1.154 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCN1CCCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507630844 IQMDFKSAVYQGNH-RTWAWAEBSA-N 486.642 1.776 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@](C)(CC)O1 1507710481 HBPHGCCBHAHJAM-WFXMLNOXSA-N 469.608 1.045 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(CC)nn(C)c2CC)CC1 1507733921 NXWVJAQYZSHLKH-UHFFFAOYSA-N 468.606 1.289 30 10 JDEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1507894896 PMSZOKHCXLSBJY-QGZVFWFLSA-N 452.625 1.880 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(CC)noc2C)C1 1508124929 NDIFVBXXUCZGBF-VQIMIIECSA-N 480.591 1.299 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1508139765 DNMNLSBOQFEXRH-FDFHNCONSA-N 494.706 1.768 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1508144518 FKSWHBJSLFQPEW-QGZVFWFLSA-N 474.562 1.720 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1508149180 PNZMFLUOCHGHEY-SJORKVTESA-N 477.562 1.559 30 10 JDEE CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1508852332 IFFVQIWTJJGGNV-OFVILXPXSA-N 482.585 1.963 30 10 JDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1509715032 FFJDNZLBUFASFL-UHFFFAOYSA-N 466.590 1.378 30 10 JDEE CCCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1515084345 FOMJUPNRGHSVHJ-IBGZPJMESA-N 451.531 1.490 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc(CCCc3ccccc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1521069201 GGBHFYFBMFIXJA-NRFANRHFSA-N 461.563 1.835 30 10 JDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1539133473 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C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1594625541 GTXCKIBZYDJOOC-GOSISDBHSA-N 463.608 1.940 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C)C(=O)[C@@H]1C 1595544465 IOIWRMHGCQHAIU-INIZCTEOSA-N 475.594 1.362 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1595778439 ZPRHJBXKOQXJEP-HXUWFJFHSA-N 470.599 1.576 30 10 JDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCN1CCCO 1612657121 AYFZSXUPWJTGLW-QUCCMNQESA-N 467.574 1.242 30 10 JDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 1616735327 VASMRGJVVXVNRM-IRXDYDNUSA-N 450.557 1.902 30 10 JDEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1653573999 JMVLVWLJMAKMAG-INIZCTEOSA-N 451.618 1.700 30 10 JDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1)C1CSC1 1665426619 NUSSGAWFKXEPKB-HNNXBMFYSA-N 451.570 1.843 30 10 JDEE CCOC(=O)C1([S@@](C)=O)CCN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)CC1 1686076701 ALSAGTMWPSESTC-JGCGQSQUSA-N 457.556 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C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](NC(=O)CC)C1 1705898091 ALSFJMVCZOCVKC-INIZCTEOSA-N 456.547 1.760 30 10 JDEE C=CCNC(=O)Cn1c(N2CCc3ccc([N+](=O)[O-])cc3C2)nnc1[C@]1(OCC)CCOC1 1705908483 QIBKPQMLYNJSFO-QFIPXVFZSA-N 456.503 1.703 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c(CC)nn(C)c2CC)C1 1705924885 HBRFAGSNXXDDAF-IRXDYDNUSA-N 462.620 1.868 30 10 JDEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722339392 ZRXOTDBADBXVIU-UHFFFAOYSA-N 491.600 1.903 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1722358730 FEOHUIPEIXSTOD-QGZVFWFLSA-N 471.004 1.660 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722361287 GWOXOBGFUUYYEZ-QGZVFWFLSA-N 461.563 1.873 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1722362776 OSHWBVZSMCCNHD-INIZCTEOSA-N 470.020 1.736 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1722371226 UXMZDIQPUZHFEB-SFHVURJKSA-N 469.571 1.223 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCN(C(C)=O)CC1 1722385054 YWGPTERJFVJBKO-NRFANRHFSA-N 484.601 1.918 30 10 JDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1722402265 KEWUNHBSCBDVAX-ROUUACIJSA-N 465.537 1.731 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@H](C)N1CCOCC1 1722423136 WXFDSRLVUJJWDL-IBGZPJMESA-N 454.550 1.900 30 10 JDEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722454962 PCVPTQUMZSADHX-HNNXBMFYSA-N 476.509 1.060 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](C)(C(N)=O)C1 1722504613 OARXUMIFSJEDBA-FXCLAUTBSA-N 458.588 1.953 30 10 JDEE C=C(Cl)Cn1c(COCC)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1722557694 SCJNZCGZPOFTEA-RBSFLKMASA-N 475.999 1.694 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1SC 1722699755 YBJFTTCVBVSCDU-KRWDZBQOSA-N 494.643 1.272 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1722702807 RKTAMFSBQJZBKK-MRXNPFEDSA-N 461.567 1.054 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCn2cnc3ccccc32)C1 1722712048 ZGNXTXDRQJQSEQ-IAGOWNOFSA-N 459.576 1.720 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)N(C)CC)C1 1722719181 RKDKCRQIWLBDHL-QZTJIDSGSA-N 478.594 1.846 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1722725110 FRNQDUZMMVDORY-SFHVURJKSA-N 456.576 1.991 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccccc1 1722866903 DGFHPLSFMLRVOD-BLIXFSHQSA-N 462.576 1.115 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1Cc2ccccc2O1 1723778022 CPGVTMPCQUANMT-HHXXYDBFSA-N 460.560 1.353 30 10 JDEE CCO[C@@]1(c2nnc(N3CCN(c4ccccc4C#N)CC3)n2CCCS(C)(=O)=O)CCOC1 1728814285 GSJKPEDTGGTVOU-QHCPKHFHSA-N 488.614 1.563 30 10 JDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1729618400 AENTWCMYVDQLNV-MHECFPHRSA-N 483.642 1.843 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCC(=O)N2CCCCC2)c1 1740563079 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C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)C(=O)C1 1301528653 FEUUCKOMKDZJJP-MRXNPFEDSA-N 474.587 1.312 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)N2CCCCC2)C1 1301539058 NIDGWCYFCQNSPJ-IAGOWNOFSA-N 454.597 1.072 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)OC(C)(C)C)C1 1301556028 FDJBKVJMXOITAZ-HOTGVXAUSA-N 455.581 1.486 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(=O)NCC)cc2)C1 1301557873 RUAUEHMFXUXLSS-PMACEKPBSA-N 473.599 1.760 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1301592666 BIJMBMGUPJUWMN-IBGZPJMESA-N 477.587 1.026 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1301593649 RVIJNTLUXYEGCV-UHFFFAOYSA-N 498.609 1.731 30 10 JDEE N#Cc1ccc(N2CCN(CC(=O)NCC(=O)Nc3ccccc3Br)CC2)nc1 1307426285 DUNPKJWBUKNLIB-UHFFFAOYSA-N 457.332 1.593 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCCS(C)(=O)=O 1358888308 KRZUGVASZXDEPG-MSOLQXFVSA-N 483.635 1.912 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCCOC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1358960705 JVYPUKLGYBKHQS-RTBURBONSA-N 461.588 1.354 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CC1(N2CCCC2)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358963649 LTWQOVWCUZSVRC-HXUWFJFHSA-N 463.648 1.748 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc2c(c1)OCCO2 1358969724 VHXMWRWNTNNELG-KRWDZBQOSA-N 471.583 1.710 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1358976597 JWPKOTPJWQLAEF-UHFFFAOYSA-N 473.537 1.030 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)N(C)C 1359022486 BHVVAZBTNXQRBN-UHFFFAOYSA-N 451.531 1.410 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCn2cc(CO)nn2)CC1 1359029667 DSFFOKXPYWHBBE-GOSISDBHSA-N 468.537 1.487 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[C@H]2COCCO2)CC1 1359031008 NGGJIIBCLXSMTH-KRWDZBQOSA-N 463.380 1.607 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(NC(C)=O)c2)CC1 1359040528 YTWRUFHFMGSXFY-UNMCSNQZSA-N 452.559 1.764 30 10 JDEE C#CCSCCn1c(N2CCC(NC(=O)c3cc(C)on3)CC2)nnc1[C@@]1(OCC)CCOC1 1359061729 KXAZRCDBWWHKPJ-HSZRJFAPSA-N 488.614 1.992 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1359083029 ADUYPMUDKFYJJS-IMJJTQAJSA-N 474.425 1.246 30 10 JDEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359215656 GYSFUMIUGSACOO-FQEVSTJZSA-N 454.579 1.760 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCOC1 1359260366 BRMLIZWBLNAQKI-UGKGYDQZSA-N 495.577 1.094 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1C 1359275268 OTLNSKHCSWFMMC-JOCHJYFZSA-N 499.641 1.936 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1359296270 CWMAQMUGCNYDPQ-QGZVFWFLSA-N 483.598 1.561 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(CNC(C)=O)CC1 1359298652 HYZVJTUMLBHJEQ-UHFFFAOYSA-N 492.584 1.330 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1359304512 ZMUWWXABJRRIFW-WJONJSRFSA-N 474.587 1.345 30 10 JDEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359339037 QQBMPDWRWGPTMC-HNNXBMFYSA-N 476.990 1.673 30 10 JDEE C#C[C@H]1COCCN1C(=O)c1cccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)c1 1451189671 CZLTWTDHHWBTPZ-RBUKOAKNSA-N 454.552 1.973 30 10 JDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)CC1 1501780223 HHACSOKLFSOXHQ-UUWRZZSWSA-N 483.642 1.718 30 10 JDEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(=O)OC)C2)CC1=O 1504901757 HAPZFVDWZFAGMR-AZUAARDMSA-N 466.542 1.701 30 10 JDEE CSc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)ccn1 1505199244 HBCVSWULAWNUDZ-KRWDZBQOSA-N 477.616 1.516 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(F)cc(F)c1 1507538376 LTRLCWRHTSBLGT-KDOFPFPSSA-N 453.515 1.590 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1507628896 YXPFDBACMRCQRU-UIFIKXQLSA-N 468.645 1.843 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1507630105 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C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](C)C1 1507797654 MFNVIGHDYMJFRP-ZRSRNVLSSA-N 453.609 1.684 30 10 JDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1507930381 BDPLNPYVIOJVRO-IBGZPJMESA-N 463.608 1.666 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1507954204 LJXWORHCIQOFRB-SJORKVTESA-N 484.623 1.681 30 10 JDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1508050539 GQFIAWLNQPPZCL-UHFFFAOYSA-N 450.551 1.097 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCN1CCOC(C)(C)C1 1508073187 MJTPMISCYVKLIZ-UHFFFAOYSA-N 494.438 1.895 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@](C)(OC)CC2)nnc1[C@]1(OCC)CCOC1 1508149162 OURPKDUBPWXQEO-SFTDATJTSA-N 456.609 1.926 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1 1510217237 HPAZWAOLBUHPIS-DLBZAZTESA-N 481.586 1.313 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1539125380 LQQWLTJCTBLKSX-IEBWSBKVSA-N 492.577 1.606 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1539126426 UQUYJQZVSGYLKX-MOPGFXCFSA-N 476.607 1.074 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1539212725 RWDJDSUWYFBADM-IAGOWNOFSA-N 480.974 1.649 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(COC)c1)[C@@H]1CCS(=O)(=O)C1 1539220514 KCKBXVHTETWXAL-RTBURBONSA-N 457.556 1.051 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C(F)(F)F)ccn1 1539369021 GPXZXYNBVCFJSU-KRWDZBQOSA-N 486.520 1.727 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1539476037 RIGCOIQWTORLLI-UHFFFAOYSA-N 492.605 1.899 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)CCCC2)CC1 1539482518 UPVFEOAQJVKHRW-LJQANCHMSA-N 492.646 1.157 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)c2cccs2)CC1 1539488608 BQLHBSJRFZQLMI-WXVUKLJWSA-N 487.626 1.937 30 10 JDEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539758094 CAOISQSCBYYSIO-QGZVFWFLSA-N 486.598 1.319 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CC1 1540136698 JTJVLVTWBWGICF-SFHVURJKSA-N 465.551 1.468 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1540873142 ODQUTDSFKBTSEM-MRXNPFEDSA-N 481.648 1.044 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1540875315 HUAZCDAEVYZJIG-MSOLQXFVSA-N 457.487 1.672 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(c2cnn(C)c2)CC1 1540906882 FRVUNEOPMIIXDW-UHFFFAOYSA-N 472.619 1.858 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCOc2cccc(Cl)c2)C1 1555812308 CVCBSEXBUHQALS-ZWKOTPCHSA-N 496.977 1.072 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 1562252328 BMZRXQXEJXWRFY-MRXNPFEDSA-N 455.544 1.326 30 10 JDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCCc3nc(C#N)ccc32)o1 1585177423 FZGLFRUNJMUHKU-KRWDZBQOSA-N 458.496 1.855 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 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C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(S(C)(=O)=O)cc1 1589664249 WHHFIAFZLDDBDO-IBGZPJMESA-N 497.643 1.465 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1595797088 DOUUVLCSMMGBBU-UHFFFAOYSA-N 474.587 1.688 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1595798005 KWCHDHJMMHYDEB-QZTJIDSGSA-N 454.593 1.405 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1595799069 WVSWMVADSZLIDY-HKUYNNGSSA-N 464.592 1.567 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCS(=O)CC1 1595823687 QMTCQFDEOHBJBO-UHFFFAOYSA-N 458.993 1.680 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1595884411 LMAKZFKFEHIINZ-KGLIPLIRSA-N 481.566 1.604 30 10 JDEE Cc1nccn1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1612449445 GTBMOGRVNJOGDP-IBGZPJMESA-N 468.587 1.788 30 10 JDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1619937227 DDTRYRJKJZIJON-UHFFFAOYSA-N 460.604 1.798 30 10 JDEE CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)ccc1OC 1623120054 HNCMTMUMAKQMAU-KRWDZBQOSA-N 456.503 1.753 30 10 JDEE COc1cccc(OCCN2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1632321452 AGCQHKMZWPZRMT-UHFFFAOYSA-N 458.540 1.068 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(C3CC3)[C@H]2c2cccc(OC)c2)CC1 1632624592 VEIXOXUFEFWZNM-URXFXBBRSA-N 452.555 1.031 30 10 JDEE N[C@@](C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1)(c1cccc(F)c1)C(F)(F)F 1641363393 DUOPDBULCPHDAK-CYBMUJFWSA-N 451.364 1.972 30 10 JDEE C[C@H]1CCCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)[C@H]1CNC(=O)OC(C)(C)C 1648632190 AVJDQGWKDRFLLQ-YJBOKZPZSA-N 450.561 1.988 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1681179007 LNPZMHDJNJFHFQ-UHFFFAOYSA-N 456.569 1.074 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1CC(=O)N1CCN(c2ccccc2)CC1 1689827275 CIWANDUSAURBMP-PMACEKPBSA-N 454.575 1.809 30 10 JDEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1689925911 DCOVBQODODPZGF-SFHVURJKSA-N 497.625 1.996 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1689982678 RXWZZNOSHHGQSB-HXUWFJFHSA-N 470.624 1.492 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1689990000 KTMKOCLVXLMBEX-IKGGRYGDSA-N 486.685 1.339 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1690117384 FQBHWPINHHTGRD-SIKLNZKXSA-N 455.559 1.769 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCOC2CCOCC2)CC1 1690144179 OGXRJNFNDPARQN-UHFFFAOYSA-N 453.547 1.287 30 10 JDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1690175315 UPMGKNDHVSKFSV-RTBURBONSA-N 460.648 1.718 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC)CC1 1690236079 IEMYVUVWTYAJTL-BBWFWOEESA-N 470.596 1.148 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccnn2C)CC1 1690236116 IMTYEGBBSQYQCU-KPFFTGBYSA-N 477.635 1.987 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1690470745 KHDNIULIRVPFDS-HZPDHXFCSA-N 464.596 1.252 30 10 JDEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCN(S(C)(=O)=O)CC1 1690504047 WPALYQSBITZUJK-UHFFFAOYSA-N 463.560 1.738 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(C)=O)C1 1690682767 YNMGMOGEAPBRES-VQIMIIECSA-N 476.603 1.606 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H]1CCCCO1 1692793377 GQVBWYSWQHFXRD-HKUYNNGSSA-N 473.603 1.656 30 10 JDEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)CC)CC1 1695965648 AEIJYUSSNRSOMD-UHFFFAOYSA-N 476.559 1.442 30 10 JDEE CNc1cc(N2CCC[C@H]2Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)ncn1 1697018500 CIJODXKCBVDFRJ-YCRPNKLZSA-N 456.530 1.359 30 10 JDEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](CNC(C)=O)C2)CCN(C)CC1 1698360952 AVEXOGITLWUUBT-OAQYLSRUSA-N 483.642 1.985 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccn(Cc2ccccc2)n1 1705495126 KWUUIHLDWLRRSQ-GHTZIAJQSA-N 483.598 1.362 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCc2cccnc21)[C@H]1CCS(=O)(=O)C1 1705558777 HSRGYNMYMHQXRT-OALUTQOASA-N 470.599 1.558 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1705560773 NGUIOAQESADWJM-GOSISDBHSA-N 494.581 1.061 30 10 JDEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705562135 XZLZIIFHADVDCW-DOTOQJQBSA-N 475.640 1.846 30 10 JDEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1705562378 BAOIRTQYDAJXPX-SFHVURJKSA-N 480.594 1.892 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1705574046 SUOLOIWGSMNUNS-FXAWDEMLSA-N 484.582 1.127 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(C)C)cc1 1705598625 MSFPLPBQBSKVHY-QFIPXVFZSA-N 485.610 1.909 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCCCC2)nc1 1705612227 CISFBHBACVPIQS-HXUWFJFHSA-N 487.630 1.504 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1705641990 BTPPFRNJTFCODW-HXUWFJFHSA-N 457.600 1.664 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCN2CCOC(C)(C)C2)CC1 1705642648 BVXCMOZKHWKXKL-UHFFFAOYSA-N 456.566 1.862 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1705706591 XLCSVSRPVITFCR-REWPJTCUSA-N 470.622 1.331 30 10 JDEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705729615 JSLINCKAKUPLRM-UHFFFAOYSA-N 468.558 1.713 30 10 JDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](C)N1CCOCC1 1705846803 SSKKTEMPQZAFKU-QFIPXVFZSA-N 453.635 1.986 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nncn2-c2ccccc2)C1 1705915090 IBTSKJIOZTXLOS-SJLPKXTDSA-N 472.575 1.299 30 10 JDEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1712687666 GKFMNXSGHODBBM-MJGOQNOKSA-N 477.612 1.655 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC 1722291085 BZNNRYVJRIDYTD-HOTGVXAUSA-N 454.597 1.400 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1722357896 ASXQFORHZQXZDY-AUSIDOKSSA-N 473.599 1.935 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1722370906 RYKAGHYLPSLQCP-KRWDZBQOSA-N 473.534 1.283 30 10 JDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722416111 ISOJHLDWJSGUNZ-HNNXBMFYSA-N 450.590 1.011 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(F)(F)Br 1722423549 HORRDABWROVQAB-UHFFFAOYSA-N 467.278 1.995 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOc2ccccc2C)CC1 1722438316 VPMIBOHQUPVQLM-HXUWFJFHSA-N 457.600 1.713 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCC(=O)N2CCOCC2)CC1 1722445055 KDQZXPIBHWLQHJ-UHFFFAOYSA-N 480.569 1.168 30 10 JDEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N(C)C)CC1)c1ccccc1 1722541864 ULSPSCXCKBBGGX-GMAHTHKFSA-N 468.602 1.926 30 10 JDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722609504 XKBPKGWBNULJBX-UHFFFAOYSA-N 452.563 1.636 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)N(C)C)c1 1722671699 BPPSMTGSFFNHMH-FQEVSTJZSA-N 488.614 1.540 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CC 1722672790 YUTVLPKZUNUZCP-OALUTQOASA-N 452.625 1.664 30 10 JDEE C=CCNC(=O)Cn1c(N2CCc3cc(OC)c(OC)cc3CC2)nnc1[C@]1(OCC)CCOC1 1722704699 WTQYPMMRXWMIPY-VWLOTQADSA-N 485.585 1.855 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](OC)c2ccccc2)C1 1722717572 CBHAHBXCINEMGU-NJDAHSKKSA-N 491.614 1.780 30 10 JDEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740577761 ONTFQXCGVYJYEZ-IBGZPJMESA-N 450.543 1.424 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1740619875 MAMRXDMMVDDBRM-AEFFLSMTSA-N 460.556 1.626 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1740620955 IMFKAUDPTFYWPX-QGZVFWFLSA-N 473.599 1.743 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740621947 QPHJKMFEUMXXCV-MOPGFXCFSA-N 473.628 1.670 30 10 JDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1740627646 RQRQVHJTDSNRSK-PXNSSMCTSA-N 474.583 1.968 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1740648995 WFRFPRYCNKTKNH-OAQYLSRUSA-N 462.959 1.620 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCC[C@@H]1CO 1740653276 HFPUDCSANYVKMD-LJQANCHMSA-N 452.559 1.706 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1740695146 GQNJJULABOVMHS-GOSISDBHSA-N 451.497 1.682 30 10 JDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(C)(C)C(=O)NCC)CC1 1740695630 ZETBRUJPKJBKQB-UHFFFAOYSA-N 486.646 1.156 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[C@@H]2COCCO2)CC1 1740700540 VSKNKGCFJRQPLC-UXHICEINSA-N 474.606 1.911 30 10 JDEE C=CCn1c(-c2cnccn2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1740945945 ALJIVQBSIXKONJ-BMFZPTHFSA-N 461.548 1.048 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 1740947057 PEEUARMHFPBTJW-FQEVSTJZSA-N 471.587 1.385 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2OC)CC1 1740991014 MGTGIINXGBSWPS-KRWDZBQOSA-N 474.587 1.165 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1740994874 YBDPGAGOBDFMJN-HNNXBMFYSA-N 467.979 1.778 30 10 JDEE C=CCSCCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1741004651 HZFJCXDBYDISMN-SFHVURJKSA-N 470.599 1.486 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1748667028 LVOQIKOUQDKSKH-DLBZAZTESA-N 468.583 1.958 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OC)c1OC 1748671159 GMBIUGNMRYRDGK-QAPCUYQASA-N 463.560 1.134 30 10 JDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(C(=O)NC)c1 1748784131 CDUIOGOKIYLDCU-UHFFFAOYSA-N 451.556 1.716 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CC(=O)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748811577 IRGWWVQYMMCQQP-NRFANRHFSA-N 478.578 1.625 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1748814311 CZXWUZWNQHPDGT-FQEVSTJZSA-N 455.584 1.922 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N(C)C)Cc2ccccc2C1 1748826270 QAWFQSXSKXBUOM-GOSISDBHSA-N 454.600 1.060 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCS(=O)(=O)C1 1748950175 GBHGKUSYYKFOAA-CYBMUJFWSA-N 456.366 1.556 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1748956285 BLINEQPYFLYNQZ-HXUWFJFHSA-N 468.963 1.243 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)n1 1748970680 NSCVOOKLTFFVLY-HXUWFJFHSA-N 458.526 1.578 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1749023267 QONADCIZSSBWDQ-CVEARBPZSA-N 470.665 1.386 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1749136134 KNANMATXKGWEMC-YKSBVNFPSA-N 487.649 1.372 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1749226085 NOEAONJQCZMXGX-IBGZPJMESA-N 453.547 1.247 30 10 JDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749406474 IYDIJBCYHYMBAQ-UHFFFAOYSA-N 452.563 1.577 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749655434 KYDYMPYVABRZTE-UHFFFAOYSA-N 488.552 1.858 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1749664269 IZMGFHKEEBGWIW-AZUAARDMSA-N 454.575 1.803 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(c2nccs2)CC1 1749721574 ODTHRMMPTVGHRU-UHFFFAOYSA-N 464.617 1.955 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(Cl)cc2C1 1749736058 ZBHKMSQTQWAKCZ-INIZCTEOSA-N 485.031 1.997 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCCn1ccnn1 1750965189 GWMQAJQOMHEFIC-UHFFFAOYSA-N 482.980 1.950 30 10 JDEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760150871 SZIPUPOUEJRSQP-UHFFFAOYSA-N 454.575 1.976 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760181124 PWMFRHPXZRFMGU-FQEVSTJZSA-N 473.599 1.303 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1760183950 FKVUSUFENGXMNH-LJQANCHMSA-N 472.567 1.936 30 10 JDEE 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1.166 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)nnc1C(C)(C)C 1359335755 UFXDIKKMQTZLBC-INIZCTEOSA-N 461.654 1.284 30 10 JDEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)n1 1460048609 QICAAKOBHQQIAL-UHFFFAOYSA-N 451.571 1.694 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)CC1 1471450532 DDIBRPYITXHZOT-UHFFFAOYSA-N 455.462 1.425 30 10 JDEE C#C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)C(C)C 1475824554 VWMTZBUGWDNHQG-GOSISDBHSA-N 450.561 1.323 30 10 JDEE CCN(CC)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1501929111 FYDXXDHYPWAGSO-LJQANCHMSA-N 459.620 1.876 30 10 JDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@@H]1C 1502330668 AITCNFQXDSHOGU-SFHVURJKSA-N 453.547 1.118 30 10 JDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1503691752 FBRDHNJPLYHGIR-UHFFFAOYSA-N 459.576 1.061 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(C)cc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1507631561 QQGGUSAXWWPRBU-HXUWFJFHSA-N 496.593 1.744 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1507661408 UVKAWXWZFUAJCS-XMMPIXPASA-N 485.610 1.672 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(OC2CCOCC2)c1 1507713071 XKCJJNMNWKEQPC-LJQANCHMSA-N 454.531 1.316 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCC(=O)N2CCCCC2)CC1 1507734565 ZUSZVHCGDRAIPV-UHFFFAOYSA-N 485.633 1.565 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2nncn2C)CC1 1507734708 USQTYUBLSHFCHA-UHFFFAOYSA-N 483.374 1.850 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC(F)(F)F)CC1 1507740086 XFBFDWDLJZSDHZ-OAHLLOKOSA-N 477.509 1.073 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCC(=O)NC 1507796889 NKHRNIAXCVDCTC-RXVVDRJESA-N 490.630 1.749 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1507952880 BRCSVDRUMZNDMP-MSOLQXFVSA-N 482.651 1.708 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1508002362 GBZVBJIABHYSTC-KSHDEOPHSA-N 496.593 1.899 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1508075341 XLVCXNPWFKXWPX-UZUQRXQVSA-N 489.598 1.425 30 10 JDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1508147955 OEAYVYZKWNTRSW-GOSISDBHSA-N 463.652 1.468 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1COCCO1 1513394526 BRDXLUOHEPIBER-IBGZPJMESA-N 468.562 1.205 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1539391606 GBLFRJCQOHIGPH-SFHVURJKSA-N 490.586 1.895 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2nncn2CC)CC1 1539446987 MLDONXBNBMXDTI-IBGZPJMESA-N 483.621 1.808 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(S(=O)(=O)NC)c1 1539556366 BRYBZHWRIFRTMO-DYESRHJHSA-N 477.612 1.129 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1540863067 OOLVYGJHYIOLLR-ZHRRBRCNSA-N 477.562 1.874 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(c2ccccc2)C1 1540871579 OTUZQCPQBPQMDH-FQEVSTJZSA-N 486.598 1.207 30 10 JDEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCS(=O)(=O)CC1 1540881201 AZVMWXJDTBSETQ-UHFFFAOYSA-N 456.572 1.988 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1540892607 OURYUODSQMWLRO-NQIIRXRSSA-N 466.991 1.853 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(S(C)(=O)=O)CCCC1 1587600210 VWODZNIHZHLIFA-INIZCTEOSA-N 454.560 1.736 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1587861997 RRIFEAOWGLYDPE-FQEVSTJZSA-N 492.646 1.253 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCOCC(F)(F)C(F)F)[C@@H]1CCS(=O)(=O)C1 1588049848 MECMBUXWUCMAEL-CYBMUJFWSA-N 476.456 1.279 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCSCCCO)CC1 1588811478 KAGYHDKGZIQXNH-UHFFFAOYSA-N 470.647 1.323 30 10 JDEE C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1589715101 CXMCFZWZQAKYLE-MRXNPFEDSA-N 455.498 1.469 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1595496592 ATYHJWCETXMOMG-QGZVFWFLSA-N 486.598 1.146 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](CCOC)C1 1595536664 DPRBCHACSYGDMZ-KRWDZBQOSA-N 465.558 1.840 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ccc(O)cc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1595602865 SVXUHSHBKGEAML-XMMPIXPASA-N 470.574 1.653 30 10 JDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1595866619 RPKXUXXFROCWTE-UHFFFAOYSA-N 458.636 1.732 30 10 JDEE Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)nc1 1596577906 DBQDRKJCAUUFLQ-WMZOPIPTSA-N 455.540 1.806 30 10 JDEE C[C@@H]1CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)C[C@@H](C)O1 1612873590 FSSWQUSTXUBBRT-WOJBJXKFSA-N 495.628 2.000 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)s1 1651026582 WDFYSJJXTPLTEY-UHFFFAOYSA-N 454.618 1.087 30 10 JDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1689934502 YIZHYFNOYXMFLQ-HSZRJFAPSA-N 451.619 1.909 30 10 JDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1689940341 WEAUTORINGDKFI-KRWDZBQOSA-N 452.515 1.752 30 10 JDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1689940342 WEAUTORINGDKFI-QGZVFWFLSA-N 452.515 1.752 30 10 JDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)N(C)C 1690058211 PNBLQWMUMNTYHR-UHFFFAOYSA-N 452.968 1.212 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCC(O)CC1 1690091525 WMXKRQDJUCWSAH-FQEVSTJZSA-N 489.617 1.806 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C2CC2)N(C)C)CC1 1690139530 QMVBLDIATBQSAG-JOCHJYFZSA-N 498.653 1.655 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@@H](C)CC(N)=O 1690662003 NYMYHOHETNNFFQ-NSHDSACASA-N 453.316 1.849 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1690663473 XWFKACIFNLBKNF-HXUWFJFHSA-N 490.612 1.642 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[C@@]3(CCOC3)O2)C1 1690685800 DLCNEIRSOWYIIH-OOSNJVJTSA-N 469.608 1.398 30 10 JDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCN(C)S(=O)(=O)CC)CCOC1 1696051496 DTJXHDUJITZILZ-RBUKOAKNSA-N 458.560 1.044 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCn2cc(Br)cn2)cc1 1698488090 CIDVGEVDXDUKRP-UHFFFAOYSA-N 485.346 1.714 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCCS1(=O)=O 1705503898 HWXJDDNHYXZLII-YESZJQIVSA-N 466.608 1.542 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1705504954 GSGWGXNGZMZPNU-LJQANCHMSA-N 495.609 1.621 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(S(C)(=O)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1705562419 BQLPZQHLPAWKHC-INIZCTEOSA-N 466.585 1.441 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1705567832 ANAKVDUKSOHLHY-UXHICEINSA-N 474.583 1.462 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)OCCc2sccc21 1705612298 DQCJKYWEXZACAF-DYESRHJHSA-N 479.628 1.620 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(NC(=O)OC)c1 1705613039 USMIYHXMTQCMSB-SFHVURJKSA-N 476.559 1.297 30 10 JDEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)N1CCOCC1 1705613628 LDKIHBDMNGLBAZ-UHFFFAOYSA-N 460.579 1.711 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1705635297 VVPIPXZTGOLRRV-LJQANCHMSA-N 454.575 1.507 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCS(=O)(=O)CC=C)CC1 1705637064 HZVXVRDQBLJQBM-UHFFFAOYSA-N 450.568 1.849 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1705661837 JWENDXXPZFRDGC-KRWDZBQOSA-N 465.645 1.528 30 10 JDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1N1CCOCC1)C1CC1 1705849737 USPFTAJYHAXERN-QGZVFWFLSA-N 460.604 1.928 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1705890743 FVARTWYWOKNTPT-LJQANCHMSA-N 480.635 1.462 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1705905251 OZFFGBZBKKHDFU-QGZVFWFLSA-N 478.594 1.418 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(C(=O)N(C)C(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705908722 UTJAIPFEWMFPHO-XMMPIXPASA-N 476.622 1.704 30 10 JDEE 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CS(=O)(=O)N1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2CC[C@H]2CCCCO2)C1 1620170426 BPXNNRIFNIUNQA-MOPGFXCFSA-N 466.608 1.700 30 10 JDEE C=CCOC[C@H](NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl)C(=O)OC 1635158661 HATHRPSHORINAS-NSHDSACASA-N 455.714 1.224 30 10 JDEE N#Cc1ccc(N2CCN(C(=O)NCc3ccc(N4CCCS4(=O)=O)c(F)c3)CC2)nc1 1680373046 FJOVNEGMGWBUKY-UHFFFAOYSA-N 458.519 1.664 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1689965649 AEXHPEYZXDMGAQ-FHWLQOOXSA-N 452.625 1.048 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1689981952 DVNFOGLULPGBTL-ZFWWWQNUSA-N 470.393 1.708 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1689985743 ASAVIFZPDQJZKZ-SFHVURJKSA-N 485.591 1.419 30 10 JDEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)C(C)(C)C 1690095042 CJDUWXFRARHUDJ-UHFFFAOYSA-N 489.646 1.795 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCN(CC)C2CC2)CC1 1690124849 VSSHTXPCMGBKGT-OAQYLSRUSA-N 487.649 1.826 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1690130168 AUCKAOWFIYXHAG-QZQOTICOSA-N 451.556 1.212 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(=O)NCC)c2)CC1 1690134899 JRQHINZDDITUEK-UHFFFAOYSA-N 491.596 1.278 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[S@@](=O)CC)CC1 1690140452 ZDKYZFPAYDMALG-XIFFEERXSA-N 473.599 1.697 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CC1(O)CCS(=O)(=O)CC1 1690561188 GVOWRWZCBHPQMO-UHFFFAOYSA-N 498.609 1.404 30 10 JDEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCN(C(=O)NC)CC2)cc1 1690681491 RLMYGIPBWUJKIG-UHFFFAOYSA-N 453.547 1.475 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCS(=O)CC1 1690717821 RQGWEJZZCKJGGX-UHFFFAOYSA-N 473.418 1.877 30 10 JDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1705562000 XJKZCPUBKXIAMV-OALUTQOASA-N 494.017 1.913 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCOCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1705562952 NLVQYKSHUMVLQC-QGZVFWFLSA-N 483.997 1.943 30 10 JDEE 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C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1722456085 YPNOJHZAWIJURA-DLBZAZTESA-N 462.553 1.829 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H]1CCCO1 1722510662 WHHAETNXTFQCEV-ZRNYENFQSA-N 483.635 1.598 30 10 JDEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C(=O)NC)C1 1722603036 FDENYANJVDIQLS-IBGZPJMESA-N 454.579 1.760 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C(=O)OC(C)(C)C 1722640888 UBSBMZBKOQUADG-OAHLLOKOSA-N 458.585 1.100 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)N1CCCC1)C1CC1 1722650861 MXWJWARSMBPSIW-IEBWSBKVSA-N 452.625 1.640 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)CC1)C(C)C 1722664656 DXFWTQIDTQZKHW-RBUKOAKNSA-N 464.636 1.205 30 10 JDEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C(=O)NC)C1 1722708556 XWCQRWRZXHBMKR-NRFANRHFSA-N 465.558 1.704 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1nc(O)c2sccc2n1 1722728619 SGPIDXMGWOSTPR-CYBMUJFWSA-N 464.573 1.730 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1722732394 XYLLPOUJNWJJDE-NHCUHLMSSA-N 487.582 1.714 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1722750185 LMRJUSULVVFTHF-LPHOPBHVSA-N 482.628 1.811 30 10 JDEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CC1 1722838181 HTCZLFNCAOBGIF-UHFFFAOYSA-N 465.558 1.418 30 10 JDEE CCN1CCN(CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@](F)(C#N)C2)CC1 1728632123 BADMUQINRVQQGW-QHCPKHFHSA-N 489.621 1.818 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1740576160 YLABVJVOSHWQPP-QZTJIDSGSA-N 477.591 1.490 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 1740610516 DJEABRAKUOIECG-IBGZPJMESA-N 475.638 1.682 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740615659 IPNNJADFOFMBSJ-LNLFQRSKSA-N 463.604 1.344 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1740629598 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C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(C(N)=O)CCOCC1 1301424642 NNKMUGDOEXZDEX-IBGZPJMESA-N 457.531 1.712 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC(F)(F)C1 1301425193 UIAOVBFWIUKTGF-HZPDHXFCSA-N 463.551 1.685 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCS(=O)CC1 1301593550 PHJJIGDQBXWWQI-UHFFFAOYSA-N 452.602 1.643 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1301635453 RXTDUSWXACWDQB-LSDHQDQOSA-N 467.530 1.820 30 10 JDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN(C(C)=O)C2)C[C@H]1OC 1302417808 DAPFZLLCWYGVAU-ILWGZMRPSA-N 468.558 1.837 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)N1CCOCC1 1358870824 VDGIKCCRUWDGOC-INIZCTEOSA-N 458.950 1.568 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccco2)C1 1358912980 CJAYYVIFDBTMBJ-RTBURBONSA-N 463.560 1.585 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1358955453 MFKYEEBSPNSHTD-RBUKOAKNSA-N 465.620 1.782 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1358967194 FXHPNHLSDHSGOQ-JTSKRJEESA-N 492.001 1.616 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)s1 1358994304 JJYGALNBCRMUHW-MRXNPFEDSA-N 468.004 1.837 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(F)ccc2N2CCOCC2)CC1 1359028257 MILMWLXZFFDGFT-UHFFFAOYSA-N 469.565 1.196 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCCC(=O)N(C)C)CC1 1359034398 OZOIPYBHDHMCOG-UHFFFAOYSA-N 490.612 1.689 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H](F)COC)CC1 1359044145 WVRNLZZOCGYMJJ-QGZVFWFLSA-N 481.532 1.142 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CCCN2CCOCC2)CC1 1359117260 PLNXHROIAITFEF-SFHVURJKSA-N 454.641 1.793 30 10 JDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1359122048 UWZXTUHQMVRYAN-HNNXBMFYSA-N 486.645 1.032 30 10 JDEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359191182 QICLVDGACRKKCM-UHFFFAOYSA-N 468.606 1.669 30 10 JDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1359226195 YWUIGSIGAGVPQJ-SFHVURJKSA-N 453.551 1.669 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1359332770 GXAAQEKXJIQDBB-LJQANCHMSA-N 493.605 1.853 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCCO1 1359343727 ZLTZOLNTKKNMAX-SJORKVTESA-N 459.638 1.536 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1359361226 YWYCHQYNVHCAON-UNEBPCJRSA-N 457.579 1.698 30 10 JDEE Cc1ccc([C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)N(C)C)cc1 1361134628 GAVPTLKGZBQCRA-MDKPJZGXSA-N 463.583 1.942 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccnc2N2C(=O)O[C@@H](C(F)(F)F)[C@@H]2C)C1=O 1435630659 FILQXDBFYBDZSX-JOYOIKCWSA-N 455.349 1.273 30 10 JDEE CCC[C@H](C)C(=O)NCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1499999336 AXEYMLKGNNJHIV-HOTGVXAUSA-N 459.576 1.551 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccs1)N1CCCC1 1507616107 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C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cccs1 1508131726 PVGWLXQWCWRIMP-HUUCEWRRSA-N 473.646 1.892 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1508144463 DUJFHAZYBFZNJK-QFBILLFUSA-N 452.552 1.849 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1508163004 SXOJRCQFENGLCH-IEBWSBKVSA-N 495.675 1.648 30 10 JDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCOCC2)cc1C 1510938999 CFWWGQXWAIZYTB-FQEVSTJZSA-N 453.547 1.598 30 10 JDEE CN(CC(N)=O)C(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1 1525554251 AENKLXFQSHMAAD-HNNXBMFYSA-N 453.886 1.761 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H](C(=O)OC)c2cccc(Br)c2)C1=O 1534066241 NWQCZILABVWYOV-AWEZNQCLSA-N 452.261 1.098 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1538976932 QVLFOSHTDGRUJG-VGSWGCGISA-N 461.588 1.733 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCNS(C)(=O)=O 1538991539 AQHXPTBXOGVJDD-GFCCVEGCSA-N 456.366 1.723 30 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PPMBBJYLEJOPHV-IBGZPJMESA-N 478.557 1.402 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CC(=O)NCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588029576 JFOINXXTOQRQGL-LJQANCHMSA-N 457.600 1.561 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCSC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588034908 NKTFVXDNQKMNFS-PBHICJAKSA-N 482.550 1.810 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1588035017 OKHLWYHPHJRZCY-KRWDZBQOSA-N 493.431 1.924 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1588044713 BEXXGFINMPZSMV-GOSISDBHSA-N 458.588 1.313 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588055204 SYHLBTJPQJDSBF-DLBZAZTESA-N 454.618 1.321 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCc3nccn3C2)CC1 1588891870 UUIJQPDRKMFUCF-RTBURBONSA-N 469.590 1.427 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OCCO)c(OC)c2)CC1 1594014746 VKLLTNMQRUNDLY-INIZCTEOSA-N 465.576 1.473 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1595529629 BMZAXUGCRMDSHF-SFHVURJKSA-N 462.558 1.627 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(C)(C)C)C1 1595538105 ZVDORNBETMMPHA-GOSISDBHSA-N 465.558 1.746 30 10 JDEE Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)c(=O)n1C 1612074899 CLUOJJHIIMBHGM-INIZCTEOSA-N 454.556 1.742 30 10 JDEE C#CCn1ccc(CN(CC)C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)n1 1618758058 AMIFYCHDXVFHKW-IRLDBZIGSA-N 458.584 1.812 30 10 JDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1628658330 CPGZKJTZEXNMDM-NVXWUHKLSA-N 450.561 1.988 30 10 JDEE C#CCC1(O)CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)CC1 1633141084 QRUQSAPWTRMXLT-FQEVSTJZSA-N 450.557 1.528 30 10 JDEE COC(=O)[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1OC 1636880810 DEDUFJDMDMMRPL-YJBOKZPZSA-N 459.524 1.382 30 10 JDEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cc(Cl)ccc2I)c1=O 1656137770 MKXFXTKCGNBFMM-UHFFFAOYSA-N 459.671 1.850 30 10 JDEE CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H](S(=O)(=O)N(C)CCOC)C2)c1 1677671145 HSFUDSKCUBAFCC-QUCCMNQESA-N 452.577 1.950 30 10 JDEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1689892795 NKWSOKONZJJIGP-GUDVDZBRSA-N 491.589 1.750 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)c(OC)c1 1690104316 SPOAHFPLVHXFEX-FQEVSTJZSA-N 477.587 1.062 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2(N(C)C)CCOCC2)CC1 1690146187 HSXAQELCOJICCN-FQEVSTJZSA-N 458.607 1.249 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1690229170 POFDVHHKUMTOSW-HUUCEWRRSA-N 474.425 1.830 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3cccc(F)c3)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1690678151 MRYBKIORLMIECQ-DEOSSOPVSA-N 486.548 1.613 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690722286 DEIVSOBVKPGPDZ-HNNXBMFYSA-N 463.585 1.651 30 10 JDEE CN(C)C(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1696577383 FAQVFGIFQYEXGK-UHFFFAOYSA-N 482.585 1.965 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCC(O)CC1 1705476890 GQPUOVMNFPOHRM-ZWKOTPCHSA-N 474.631 1.351 30 10 JDEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C(=O)NC)C1 1705533302 XBPKHIDGUQPJMF-SFHVURJKSA-N 460.579 1.757 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705568228 JOMNEUMTNSRGMH-SELNLUPBSA-N 474.583 1.332 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1705568472 ODXNMLNSMXLMSX-LJQANCHMSA-N 483.598 1.706 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(C(C)C)C1 1705612838 PYXGHPUTQJYZTK-RBUKOAKNSA-N 452.625 1.191 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC1 1705620573 XUANXFSTQBCYNV-QUCCMNQESA-N 477.562 1.426 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCOC[C@H]2OC)CC1 1705645876 IBACLPIFHHMXOG-AUSIDOKSSA-N 497.596 1.980 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCOC[C@H]2C)CC1 1705646362 XKTVOJKHGSPUGI-QGZVFWFLSA-N 471.993 1.680 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2([S@@](C)=O)CCC2)CC1 1705652994 VQUMRVPYDMSZAL-UXARDOKJSA-N 477.631 1.269 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705679381 LNWHOZWVKHYCQE-CYBMUJFWSA-N 468.356 1.092 30 10 JDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1705800181 QHKRTMHCUBZPDK-QGZVFWFLSA-N 468.624 1.320 30 10 JDEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705891310 TYEQYCBEOZFLGW-UHFFFAOYSA-N 477.541 1.886 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1705923152 ZZJZXMIFXNZWRD-ZWKOTPCHSA-N 474.587 1.309 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705935227 KKZHDEMGXURGNC-QHCPKHFHSA-N 486.686 1.994 30 10 JDEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705946541 KFDDAORQXMJCJR-AWEZNQCLSA-N 462.526 1.213 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2ccco2)CC1 1706650228 DFJTWJIEWYLXSW-RUZDIDTESA-N 477.569 1.964 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1711419489 FKUXSEDYEUFVCR-HNNXBMFYSA-N 485.549 1.010 30 10 JDEE COc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cn1 1711838646 HMGYPJFTTVUTHI-INIZCTEOSA-N 467.555 1.739 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1722358620 JQGHGTAGYGGESZ-IBGZPJMESA-N 484.582 1.076 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722358974 OIQIUQWHBCVSSJ-SLFFLAALSA-N 491.658 1.982 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722368313 PTWMGGLMIRRWHT-WAIKUNEKSA-N 484.582 1.628 30 10 JDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1722459174 DXZLHSMISOJHBD-SFHVURJKSA-N 457.604 1.528 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(O)cc2)CC1 1722459520 LWPYGLDEMBUTME-QGZVFWFLSA-N 461.613 1.579 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722508252 RIHBVGZMUAFNMQ-XFKSJGNHSA-N 480.635 1.318 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(CCC(N)=O)CC1 1722692414 LMNWBONKNOTYOG-UHFFFAOYSA-N 467.574 1.931 30 10 JDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740588527 AJXPECXCRLQUGJ-UHFFFAOYSA-N 483.598 1.466 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCCN1c1cc(NC)ncn1)[C@H]1CCS(=O)(=O)C1 1740615698 JGTHWOSGPLSOEQ-MSOLQXFVSA-N 486.646 1.703 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCNC(=O)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1740620588 FFCDQRPCOAYPIM-SFHVURJKSA-N 482.541 1.536 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCN1S(C)(=O)=O 1740639681 DUSPCUFJYAPWPQ-XLIONFOSSA-N 455.540 1.287 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCS(C)(=O)=O)CC1 1740697330 AMXPKHFGQPWLFZ-UHFFFAOYSA-N 452.378 1.507 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC2CC2)CC1 1740703086 FUERZTJYMHNALO-UHFFFAOYSA-N 484.626 1.961 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1740710019 USDUZEULMJCAFO-INIZCTEOSA-N 494.618 1.356 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1740710268 UYSJLUZMSRMOMD-UHFFFAOYSA-N 455.592 1.023 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1740880918 QTPQUHDSHIKBQP-SFHVURJKSA-N 470.578 1.504 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1740952490 GEKKNYFEXNLIAE-GFCCVEGCSA-N 473.397 1.218 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(NC(C)=O)CC1 1740959885 GSTUWSSUDQTCHT-UHFFFAOYSA-N 489.621 1.800 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3CCOC[C@@H]3C2)cc1 1740965247 FYJKDUCKCGRYLB-HKUYNNGSSA-N 476.603 1.022 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1740993361 YTTGMWUXXONTSQ-FQEVSTJZSA-N 470.603 1.915 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1747442358 CHAYOBODWNNQTD-VGSWGCGISA-N 474.587 1.530 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CCc2n[nH]c(C)n2)c1 1748697287 FDIKQSLDHYMUPU-AVRDEDQJSA-N 478.557 1.728 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1748719501 ZZAHERRTAURJLA-MOPGFXCFSA-N 480.635 1.157 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1748825968 JSBPGHCCUYPIDJ-SFTDATJTSA-N 483.642 1.172 30 10 JDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1749234532 GVMPVAXCHPWCMG-INIZCTEOSA-N 459.576 1.418 30 10 JDEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749257123 JSDJFQOOAZBOAE-SNVBAGLBSA-N 471.768 1.669 30 10 JDEE C=CCCOCCn1c(N2CCN(S(=O)(=O)Cc3ccon3)CC2)nnc1C(C)(C)C 1749461952 YTKLNXASHUCQMK-UHFFFAOYSA-N 452.581 1.808 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOC2(CCC2)C1 1749651289 ROTBZPZBYPVZFA-UHFFFAOYSA-N 458.950 1.923 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2ccon2)cc1 1749686208 QGILBRCCPWUOHJ-HXUWFJFHSA-N 488.570 1.849 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](COC)C1 1749730782 QMCMQXBCKHSUIL-INIZCTEOSA-N 472.571 1.266 30 10 JDEE CC(C)(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1750101244 HJXFWGIYMMTDDA-UHFFFAOYSA-N 479.585 1.794 30 10 JDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1751170082 CWBAEZZXDPQKDT-GOEBONIOSA-N 451.574 1.121 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc2c(c1)C(=O)NCC2 1751212103 HAQJYOVTUJATTO-HNNXBMFYSA-N 471.587 1.353 30 10 JDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1760149092 WGUPRSQMMICUDY-IBGZPJMESA-N 476.589 1.371 30 10 JDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1760152373 KIXWJSRRQBZWII-GOSISDBHSA-N 497.625 1.713 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN(C)S(=O)(=O)CC 1760174476 GNZWYCYOPVYHGJ-KRWDZBQOSA-N 484.623 1.328 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CC(=O)Nc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1760183660 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C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1760521641 ZKJIVCYMXRVALO-FQEVSTJZSA-N 480.617 1.474 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1760524572 BRERDBKUSHADSY-UHFFFAOYSA-N 480.592 1.983 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1760550950 ORZPLKPFQUMNKX-NRFANRHFSA-N 486.598 1.965 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccnc1N1CCOCC1 1764127236 FMFZNIXWIHJTCU-QHCPKHFHSA-N 470.553 1.918 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1765601960 FITHQZPNWLTFSP-SFHVURJKSA-N 488.600 1.803 30 10 JDEE CO[C@@H]1COCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1770659220 DAWNCCFLOSSWAN-RBUKOAKNSA-N 468.562 1.061 30 10 JDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)NCC#CCN1CCc2ccccc2C1 1889902138 HOLXRGUUWAYJMM-NRFANRHFSA-N 456.568 1.622 30 10 JDEE COc1ccc(N2C[C@H](C(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)CC2=O)cc1OC 1891524567 QNBBPTRWRCISNT-WBVHZDCISA-N 451.483 1.788 30 10 JDEE 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497.362 1.545 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1 1300577918 FLYOXSXPCHADCA-LJQANCHMSA-N 461.975 1.776 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCN(C)C1 1300579705 YOPOFWQQTJXTIV-RUZDIDTESA-N 470.618 1.922 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(Cl)cccc1OC 1300671763 ORDXBKMKIFNVSE-LJQANCHMSA-N 498.005 1.407 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCN2CCOC(C)(C)C2)CC1 1300703241 CJZVOPSOUZENNI-UHFFFAOYSA-N 452.603 1.744 30 10 JDEE C#CCSCCn1c(CC)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1300766253 XXYZGJVVYMYDEP-HZPDHXFCSA-N 451.593 1.957 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1301222678 COBUGUMLKAPSPV-ROUUACIJSA-N 479.607 1.728 30 10 JDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1301454496 ZJYMTVAEZZTDBD-KRWDZBQOSA-N 485.614 1.969 30 10 JDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1301480997 HNAKFQUBJXMOSQ-HXUWFJFHSA-N 453.591 1.332 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCN2CCOCC2)cc1 1301525909 KNEJKTQMUAQMJZ-HXUWFJFHSA-N 475.615 1.562 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1301588052 BTBZVDFLNOJHDY-AZUAARDMSA-N 493.655 1.862 30 10 JDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1305117238 IEOBTXSQKYJVGR-WMZOPIPTSA-N 472.571 1.220 30 10 JDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccn2C(F)F)CC1 1315058642 CZIDQEYMRQSPPL-UHFFFAOYSA-N 471.472 1.830 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(F)(F)F)cs1 1358889347 AMHAKMRERZYJHI-NWDGAFQWSA-N 478.522 1.593 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1358913610 SDKPZYRFXVHPIT-ROUUACIJSA-N 473.603 1.381 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1358958748 VIBZJGAUCFFJOU-IBGZPJMESA-N 453.572 1.794 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1358966981 ATKOXUKEFNLKPH-IBGZPJMESA-N 473.599 1.525 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1359033041 NBNVBZFNAWFKLP-JOCHJYFZSA-N 495.672 1.991 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CCSCC2)CC1 1359040350 QMBKUAHPJLBSDF-UHFFFAOYSA-N 475.663 1.211 30 10 JDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnccn2)CC1)c1ccccc1 1359137823 BSUOWWIAAQYSTB-GOSISDBHSA-N 468.587 1.718 30 10 JDEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1 1359227555 FDKOJPNSAPILQI-DLBZAZTESA-N 464.567 1.491 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1359287538 JMKRWFHIZHQMQL-WOJBJXKFSA-N 475.638 1.989 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1359396981 QJCMUYIPWIXOAP-DQRAZIAOSA-N 499.959 1.705 30 10 JDEE CC(C)NS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1360315178 DNHHZOCZNCTXSE-IBGZPJMESA-N 488.618 1.441 30 10 JDEE Cc1nc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)sc1C 1360904389 HIORTNIHRLHXKF-UZLBHIALSA-N 479.632 1.863 30 10 JDEE CC(=O)N1CCc2c(sc(NC(=O)CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)c2C#N)C1 1438002801 ZHPUPWYEMMSAEI-QFIPXVFZSA-N 451.508 1.930 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)[C@@H](C#N)C1 1445368240 GCXJMMRRPRGOTM-ZDUSSCGKSA-N 458.487 1.605 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccnc(OCC4CC4)c3)CC2)cc1 1468624012 BMRGRSOLOFCSGU-UHFFFAOYSA-N 455.540 1.958 30 10 JDEE Cn1cc(CNC(=O)NCCS(=O)(=O)NCc2ccccc2)c(-c2ccc(C#N)cc2)n1 1477416865 DRXWXLOFXYEWJW-UHFFFAOYSA-N 452.540 1.878 30 10 JDEE CCNC(=O)C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1502368115 BHTUJBNHQIZXCJ-HNNXBMFYSA-N 461.592 1.559 30 10 JDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC(=O)NCC(F)(F)F 1503104810 FBPNEDFZZGENJR-UHFFFAOYSA-N 451.453 1.691 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1507626606 BACOQZZURCOLKK-OAHLLOKOSA-N 454.499 1.862 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507632500 MDGKXMRTKSREMR-RFWXGWTQSA-N 458.584 1.707 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1507632567 NJNCGNJAPPWQOI-XHSDSOJGSA-N 476.571 1.242 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CC1(S(C)(=O)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1507632857 AZXONDICHJWZSP-KRWDZBQOSA-N 456.634 1.461 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1507652404 GCEVZVKUMYAIRF-QZTJIDSGSA-N 463.604 1.756 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC[C@@H]1OC 1507652507 GYUZZWWVEFMOCJ-AABGKKOBSA-N 473.574 1.711 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCN2c2cnn(C)c2)CC1 1507718502 DTHDTRVMOYRFGZ-VQTJNVASSA-N 456.595 1.160 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1507750338 RARFXFOJAQMTCJ-PMACEKPBSA-N 484.674 1.672 30 10 JDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)N1CCOCC1 1507782192 WGFFBGKJZBHEAY-UHFFFAOYSA-N 467.324 1.209 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1507844278 GVYLBABPWFVFCR-WIYYLYMNSA-N 453.609 1.074 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(C)c1C 1507916408 QBNHYKQHLAHRRK-SFHVURJKSA-N 465.624 1.892 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(NC(C)=O)CC1 1508085119 FQLOVRQPGFGVSM-UHFFFAOYSA-N 450.503 1.001 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccccc2F)C1 1508128363 XMKLXKLRXFYBOH-IAGOWNOFSA-N 477.562 1.531 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)C(F)(F)F)C1 1508128412 XPIQKOLWKOOXKT-GJZGRUSLSA-N 481.541 1.981 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)CC(N)=O 1508136497 SMXAFDMKLASLHF-GFCCVEGCSA-N 473.397 1.347 30 10 JDEE CCn1nc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCNS(C)(=O)=O)c2ccccc2c1=O 1515947982 HHXWNXNBFFNGOX-JOCHJYFZSA-N 484.586 1.354 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Cl)ccc1OC(F)F 1539178880 LIBVDMOQZWPDIH-INIZCTEOSA-N 489.932 1.984 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539206422 OWAYRYZBSMLKTR-QGZVFWFLSA-N 495.552 1.945 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCCN1CCCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539210685 FRQLRHMQNIPZDW-UXHICEINSA-N 472.615 1.468 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1539222914 YMSQUMIBGCVGCY-LSDHHAIUSA-N 450.590 1.261 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1CC1(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1539229690 HDBIDMNKXKSMFT-FQEVSTJZSA-N 490.651 1.657 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1539466780 GNYQMRBZHALUKM-LJQANCHMSA-N 457.623 1.503 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCCN2CCCO)CC1 1539475285 ANJMVPGFYBBSLE-OAQYLSRUSA-N 451.575 1.153 30 10 JDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539752271 HYJKQNMFGHOTNY-UHFFFAOYSA-N 467.574 1.128 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(CC)nn(C)c2OC)CC1 1539848546 QBUYNKAAMSQRDQ-GOSISDBHSA-N 479.607 1.120 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1NC(=O)CC1(C)C 1540126208 BUEZWZMYXHJCIP-FUHWJXTLSA-N 460.604 1.996 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1540873317 URDRHEUBVMJZMX-SJLPKXTDSA-N 455.563 1.916 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC2(CC1)COC(=O)N2 1540904133 JHRJNDQYWUKDPM-UHFFFAOYSA-N 475.571 1.557 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)C(C)C)CC1 1540904325 MELUCKOBGQCJTB-HXUWFJFHSA-N 489.598 1.696 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C2CCCC2)CC1 1554504509 DXYMKMDBBAMXHI-UHFFFAOYSA-N 457.604 1.821 30 10 JDEE C=CCCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)C(=O)OC 1558382935 RDSCZXCFNHCNTJ-LJQANCHMSA-N 451.545 1.167 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1588035512 UMQFOFDOZBFSRY-KRWDZBQOSA-N 454.556 1.733 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CC1(O)CCS(=O)(=O)CC1 1588205184 FZJOPIWTOHSKPQ-UHFFFAOYSA-N 463.563 1.896 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)CN2CCOCC2)CC1 1588780050 FWIIPOZTMGSTNG-HXUWFJFHSA-N 468.602 1.686 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(Cl)ccn1 1593747286 TYEVOMJBIGEMLV-GOSISDBHSA-N 485.010 1.889 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1595550189 ABKLXNZHHKTZAV-CVEARBPZSA-N 478.550 1.064 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1595577161 KINBXEVGXANMQR-NRFANRHFSA-N 476.541 1.441 30 10 JDEE CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H](C)C1 1596234222 AXRAHKUYGFFNHK-ANNUQZOISA-N 469.571 1.514 30 10 JDEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCS(=O)(=O)N(C)C 1611736153 BNOFKWMWBOKNKV-IFXJQAMLSA-N 454.503 1.891 30 10 JDEE CCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)CCOCC1 1613744582 BHPOXCHISAJERS-GHTZIAJQSA-N 480.635 1.948 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1633879923 AJXYOLAYHRXNNQ-UHFFFAOYSA-N 459.490 1.752 30 10 JDEE C#CCn1cc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)cn1 1634631518 PTLOBPUTNNRGSR-UHFFFAOYSA-N 451.346 1.993 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCSc2ccnc3cc(Cl)ccc23)CC1 1643372662 VYPSWQQDMJMDQP-UHFFFAOYSA-N 452.989 1.982 30 10 JDEE C=CCN(C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 1670839962 MNGMBBPNKNCXDU-INIZCTEOSA-N 457.574 1.687 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1681943875 VIPREVJUPUVFMQ-RDTXWAMCSA-N 451.574 1.688 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1689996641 LHZCRAGXGIPZJR-KRWDZBQOSA-N 450.634 1.908 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccccc1Cl 1690019289 FGKNNLJJHFCCMZ-DENIHFKCSA-N 492.001 1.245 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC 1690046384 BQEALAOEVCSKLL-HXUWFJFHSA-N 457.556 1.131 30 10 JDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1690058246 RCGYSOSTNHDJJG-OAQYLSRUSA-N 459.554 2.000 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncnn1C(C)(C)C 1690597351 RDNBATTTZIETCK-MRXNPFEDSA-N 464.596 1.184 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(C)C)C(=O)C1 1690662226 VKNWXKBKSNOBCD-UHFFFAOYSA-N 464.368 1.643 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1C[C@@H]2OCO[C@@H]2C1 1690715595 OTIJTBJGSORKDH-OLMNPRSZSA-N 452.508 1.720 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1690726708 JLBHIUHYAATGHW-SFHVURJKSA-N 478.644 1.826 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C(C)(C)C)C1 1690729349 MSQLUGPANQRNEN-GOSISDBHSA-N 450.609 1.992 30 10 JDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCn1cc(Cl)cn1 1696653886 GPRTXUQTNJLXRS-UHFFFAOYSA-N 454.922 1.662 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1705505475 NYTSJPOVQHGBMB-SFHVURJKSA-N 479.566 1.616 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1705561055 MYJRJJQENMBDGC-KNQAVFIVSA-N 459.572 1.309 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1705572244 VCPAMHRBMHULCB-LNLFQRSKSA-N 493.561 1.242 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(OC)CCOC1 1705580122 DLDVUNOCXWCMDY-RUZDIDTESA-N 460.538 1.943 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1705652406 YFXCIDGFMBTUNV-FOIQADDNSA-N 467.592 1.492 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(NC(C)=O)CC1 1705731314 WEUJLRFOYPRSIP-UHFFFAOYSA-N 490.630 1.893 30 10 JDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCN(c2ccncc2)CC1 1705844286 ZHVQYRJEFQAMQW-IBGZPJMESA-N 459.620 1.410 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(F)c1 1705876450 YICUESIIDLHLCM-IBGZPJMESA-N 465.551 1.985 30 10 JDEE C[C@H]1CN(CCN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)C[C@@H](C)O1 1708275462 DFTPRXCDGBANBW-NRAIQUKZSA-N 454.575 1.902 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@](F)(C#N)C1 1710898567 GNIXHKCALAUFKL-IBGZPJMESA-N 450.496 1.098 30 10 JDEE CN1CC[C@@](O)(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@](F)(C#N)C2)C1 1711273527 AYSAGCHUYLDBHU-SFTDATJTSA-N 461.929 1.370 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(C)=O)cc1 1722296600 SLDNPLCNSGOBPN-BEFAXECRSA-N 460.560 1.076 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1722333477 WETNBYSWAGERCY-LJQANCHMSA-N 476.647 1.165 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1722360544 UZXCFOTVTILGRK-RTWAWAEBSA-N 487.626 1.427 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cnn(CCOC)c1)[C@@H]1CCS(=O)(=O)C1 1722364402 GQFMKWADJUWNTP-LJQANCHMSA-N 474.612 1.448 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722365637 NFUIGOPGULPEMF-SFHVURJKSA-N 484.548 1.775 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1722372561 ZDDVANXVOLWOEL-HXUWFJFHSA-N 453.572 1.404 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccncc1Cl 1722396858 LTBKUSGFBRXNOP-GOSISDBHSA-N 462.963 1.171 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N1CCN(c2ccccc2)CC1 1722398414 YAVLUSLKUBKPOO-OAQYLSRUSA-N 459.554 1.041 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCOC[C@H]2OC)CC1 1722452066 ASKUFZAPQIGGAG-MHTWAQMVSA-N 475.590 1.019 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCCOC)C1 1722511110 YQZKDRRTRRWDFO-YRXWBPOGSA-N 454.593 1.403 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1722683306 LTZCIACRKWYWEJ-QGZVFWFLSA-N 493.597 1.758 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](CN(CC)CC)C1 1722696747 DMMHSNNLTQXRMH-SFHVURJKSA-N 478.601 1.662 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2CCS(=O)(=O)CC2)C1 1722710925 QGZXDKVBGMODOL-RXVVDRJESA-N 454.593 1.536 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCN2CCC)C1 1722718868 ODBRWCAQNDCXHM-SLFFLAALSA-N 482.651 1.267 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1722730372 PWHJHJWYULZKIG-UHFFFAOYSA-N 492.646 1.230 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCN1S(C)(=O)=O 1722866320 AQBFMPHILGZXLF-FRQCXROJSA-N 460.560 1.810 30 10 JDEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1728541144 IFVICXIXVGDMAX-SFHVURJKSA-N 454.560 1.880 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(N2CCOCC2)CCSC1 1740558413 SOOMRTAVPLLOFA-VGSWGCGISA-N 474.656 1.935 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2CC(C)(C)O)c1 1740563604 VNGWPEBNDYHNRX-UHFFFAOYSA-N 450.499 1.833 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1cscc1C)[C@@H]1CCS(=O)(=O)C1 1740615316 AJAJEZLCKIOCTB-QGZVFWFLSA-N 470.580 1.970 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1740619245 GXPKPXBVEVUUHS-SIKLNZKXSA-N 457.556 1.231 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740626697 VYDLCMSNFGPOIV-NRFANRHFSA-N 456.616 1.767 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1740626839 WMZSXPZWIMJURM-SFHVURJKSA-N 461.975 1.451 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)CCOC 1740632340 IFABCNNHJQULND-JOCHJYFZSA-N 458.588 1.407 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N1CCOCC1 1740638190 KSHOQKZKIKOGFT-FQEVSTJZSA-N 484.601 1.714 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](OC)c1ccc(F)cc1 1740685127 BHAKWHFWRZHXFX-IEBWSBKVSA-N 450.536 1.793 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1cccn1 1740685656 JJIDYNFYOSYVNE-LJQANCHMSA-N 473.578 1.959 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN2CCCS2(=O)=O)CC1 1740691201 WZPNWUBHDBWCTC-GOSISDBHSA-N 476.578 1.348 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1740793001 ODOXHVXZYHIXRA-HNNXBMFYSA-N 458.485 1.717 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCO[C@@H](C)C1)C1CC1 1740910483 OGPLJIMNBPMUPC-SCTDSRPQSA-N 453.609 1.971 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1740946837 JFYZOBCPDGZDFP-ZWKOTPCHSA-N 469.514 1.653 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(=O)COC)CC2)cc1 1740966210 KEHRDQYJCUBQJS-LJQANCHMSA-N 454.531 1.137 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCNC(C)=O)C1 1740982446 UHHLJOLQJAGUEX-FQEVSTJZSA-N 454.579 1.760 30 10 JDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1741698730 DULQAYWEATTYBS-QGZVFWFLSA-N 464.574 1.130 30 10 JDEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1747422016 GRQPUXAUHVJLPX-SBUREZEXSA-N 488.614 1.607 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748802681 QYISKWNPJGEZAN-HSALFYBXSA-N 478.663 1.411 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1748814270 CESHQCOHTYAVQH-GJZGRUSLSA-N 472.596 1.972 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1748817804 QOZNISXPPJKIGA-IRXDYDNUSA-N 464.617 1.592 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1748819389 NZNQMBAJNJIHPW-WOJBJXKFSA-N 459.572 1.086 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1748821754 UVGGAGLQTLUOQY-PGRDOPGGSA-N 457.556 1.516 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1748847161 OZXOSEKYZBOWOU-OFNKIYASSA-N 481.622 1.522 30 10 JDEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1CC1(O)CCS(=O)(=O)CC1 1748856319 ZBDJDGLVNVEYQC-UHFFFAOYSA-N 456.568 1.486 30 10 JDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1748906431 SVEJDDDSDUOJFN-ZWKOTPCHSA-N 471.587 1.589 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H](c1cccs1)N1CCOCC1 1748958573 AYNJXVFDYOVEOE-IBGZPJMESA-N 453.572 1.956 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1748977946 FXWPFNFCVKYMEA-MRXNPFEDSA-N 496.435 1.215 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(=O)NCCC)CC1 1748990027 SYBYMPIGTHLBPM-LJQANCHMSA-N 489.621 1.258 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2c(CC)nn(C)c2OC)CC1 1749020518 WEESCJNDZIBHOG-RXVVDRJESA-N 499.616 1.321 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1749427168 MGTLOGHAMAHOHH-FQEVSTJZSA-N 477.587 1.985 30 10 JDEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749438655 ZQZIBCDDBRHYMG-UHFFFAOYSA-N 479.585 1.676 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1749678219 ZNKJCONFAKWVID-QGZVFWFLSA-N 475.594 1.396 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C)CC1 1749729296 GCILFMVRCPISRX-UHFFFAOYSA-N 456.576 1.309 30 10 JDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1749740510 FUAOTUSNUBKCQU-UHFFFAOYSA-N 457.604 1.761 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCN(CCC)C2)c1 1760128389 GXCGGDGWBUHLHU-LEWJYISDSA-N 498.653 1.968 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1760179527 UFDUOYNVPJRPOK-HXUWFJFHSA-N 485.610 1.782 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1760191746 MQFHERZGJUBSAG-ROUUACIJSA-N 450.536 1.777 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1760191805 NOVDDPOSAMTDCN-HXUWFJFHSA-N 485.610 1.627 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccn(CC)c2=O)CC1 1760261380 QEVBGXGXFHHFCC-UHFFFAOYSA-N 465.583 1.255 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2ncn(C)n2)CC1 1760267759 YSWMVYHTGMDQMR-UHFFFAOYSA-N 468.949 1.750 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1760280156 CWQSNGNFFFGJEI-ZWKOTPCHSA-N 483.660 1.109 30 10 JDEE C#CCSCCn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760286077 BCMWJFZFMCLQHL-OAQYLSRUSA-N 485.676 1.545 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCSCC1 1760337401 PTFKNOVKGHBCFL-QGZVFWFLSA-N 458.654 1.062 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1760523292 SKFFRBDWCWTSKC-UHFFFAOYSA-N 468.949 1.597 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1760524415 XDIDFLMXIDMWTO-PCCBWWKXSA-N 487.649 1.101 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760526261 JBQWPEMJSVOFJC-UHFFFAOYSA-N 476.603 1.328 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc(Br)cn1 1761362793 IDNSLYIENXUQCY-QWHCGFSZSA-N 456.370 1.578 30 10 JDEE CN(C)CCOc1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1768511795 BNTUNCGXIYIZPR-TZIWHRDSSA-N 488.614 1.092 30 10 JDEE Cc1ccc(C(=O)N[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1S(=O)(=O)N(C)C 1858334070 BDMZPMJSLYIJIU-GOSISDBHSA-N 476.580 1.310 30 10 JDEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCNC(C)=O)ccc1O 1862630155 NTSJHWNJVAVILQ-HXUWFJFHSA-N 454.435 1.844 30 10 JDEE C=CCn1c(C(=O)N2CCN(c3ncccn3)CC2)cc2c(N3C[C@@H](C)O[C@H](C)C3)ncnc21 1873561501 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478.644 1.940 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705908123 IULBPQFBCVZPRW-VBURHUQHSA-N 473.578 1.067 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1705909183 PPRYWSJMVJFZEZ-HOTGVXAUSA-N 461.567 1.319 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCNS(C)(=O)=O)C1 1705925076 KIYIICUVPKFLEH-SFHVURJKSA-N 498.650 1.723 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1705927563 AQECVJJMQOBFIR-ROUUACIJSA-N 465.620 1.899 30 10 JDEE CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)C[C@@H]1C 1710206823 GXYBCCJQEYDNHR-VQTJNVASSA-N 464.618 1.900 30 10 JDEE CN(C)C(=O)COc1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)c1 1710990535 HQVGMTAQOVQYBZ-DEOSSOPVSA-N 492.515 1.883 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1722358412 HKFIPCPSCMRCJJ-PMACEKPBSA-N 476.647 1.405 30 10 JDEE 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C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(Cl)cc2)CC1 1740695942 HUCCOIZIYKQHCX-FQEVSTJZSA-N 493.033 1.262 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1740731838 JCZQAMMXBJQGEU-NHCUHLMSSA-N 450.511 1.689 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1740810882 IEGJXGYIPHYXCC-QZTJIDSGSA-N 455.003 1.588 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1740875858 LGCVKYNVKAVXNI-MSOLQXFVSA-N 468.624 1.320 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(OC)cc2C1 1740887073 BIXZGZULHKXYNA-OAQYLSRUSA-N 491.614 1.775 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(S(C)(=O)=O)cc1 1740900208 WEWYDINCUMIIOY-OAHLLOKOSA-N 454.574 1.285 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740944497 MLIXCXADZVETAZ-LJQANCHMSA-N 458.588 1.277 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1740963355 ILCOOALMADCQAI-UHFFFAOYSA-N 494.575 1.934 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740964179 KDHWLELOLCBZJZ-KRWDZBQOSA-N 476.603 1.192 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(=O)N(C)CC)C1 1740972724 LYSJUZQAJORHSZ-QGZVFWFLSA-N 475.619 1.806 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCN(CCC)C(=O)C1 1740992079 MIFIMPURFZNIKI-FQEVSTJZSA-N 489.598 1.840 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1740992128 BCUKMBDRJVGYMA-PGRDOPGGSA-N 461.588 1.639 30 10 JDEE Cc1nccn1-c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)cn1 1742626209 ADTIZRHJKVIWBG-KSFYIVLOSA-N 483.602 1.956 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1NC(=O)CC1(C)C 1748647683 RPNMGIQASMULQC-GOEBONIOSA-N 457.604 1.919 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1748664446 GWQHHSOZVVRYGU-JKSUJKDBSA-N 454.556 1.475 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1748751323 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C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1749725870 VVDXSWRNSARMKP-WBVHZDCISA-N 481.525 1.862 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N2CCCCC2)C1 1749738674 UPWPKPRVFFUKTK-GOSISDBHSA-N 450.609 1.066 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(N2CCCCC2)nc1 1751217996 HXFBQXGAIYHENY-KKSFZXQISA-N 476.582 1.764 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760185475 XQWVONGKFLEGHD-GCKMJXCFSA-N 464.975 1.765 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1760187868 YMISVTLWTCPKID-XUVXKRRUSA-N 497.687 1.308 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1760191789 NGWYXHROIDVYIT-SFHVURJKSA-N 461.975 1.729 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1760243657 OTXUNLBWZZBJOB-JOCHJYFZSA-N 479.629 1.811 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(COCCOC)cc2)CC1 1760261977 UBBMTYLLKFULRG-JOCHJYFZSA-N 487.626 1.147 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCNC(C)=O)CC1 1760271115 MPTFDIHBPKEHHR-UHFFFAOYSA-N 466.586 1.966 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1760274651 LYGNZPRALCPXNY-MAUKXSAKSA-N 467.592 1.972 30 10 JDEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760357086 DFCKNBAGSMYQAQ-PXNSSMCTSA-N 477.587 1.853 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCN(C(C)=O)CC2)C1 1760537809 QLXOQIJEVVNVCG-QPPBQGQZSA-N 476.622 1.264 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1760556214 WZVFKIFBZGLPTO-JWRCQZCYSA-N 452.602 1.757 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCOC1=O 1760690606 DRQRQIVAEBUARL-HNNXBMFYSA-N 450.503 1.630 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2C#N)CC1 1761271192 HBPYQHLVLYVNQV-UHFFFAOYSA-N 494.625 1.790 30 10 JDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCc2ccccn2)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865717296 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COc1ccc(-n2nnc3c(N4CCN(S(=O)(=O)c5ccccc5C#N)CC4)ncnc32)cc1 1891415054 NTNFDWXMTGYWNW-UHFFFAOYSA-N 476.522 1.602 30 10 JDEE N#CCCNC(=O)C[S@@](=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990662676 XOAUDLQNUDEUMC-BPJXYHRLSA-N 469.519 1.757 30 10 JDEE COc1ccc(/C=N/[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]2OC(C)=O)cc1 2080717366 BPVDJXUNJWJXMH-OALXPVINSA-N 465.455 1.197 30 10 JDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180972596 MYXMPITXEAJPEQ-KRWDZBQOSA-N 459.352 1.338 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OCc3ccccc3)C2)n1 2247919705 STBYFSXIUDISGF-MRXNPFEDSA-N 455.324 1.255 30 10 JDEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CO1 2256626300 IKHGEMDCKJPQBQ-VXGBXAGGSA-N 454.358 1.222 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](CO)C1 2267008009 CVMIQOFQPLAPBC-HZPDHXFCSA-N 450.341 1.927 30 10 JDEE COCC[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2267173773 PGMKRJRPOLVQOB-CQSZACIVSA-N 452.361 1.379 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267220971 RLVWUBBYRKMRAI-KBPBESRZSA-N 450.320 1.853 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CO)CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2267466196 WUJPOVBRNZFKTG-ZDUSSCGKSA-N 490.815 1.803 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCc2cnn(Cc3ccccc3)c2)n1 2267466992 JZQDLMISJHGMEX-UHFFFAOYSA-N 457.365 1.443 30 10 JDEE CC[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2267467847 QOEPCONPIHHNAC-CQSZACIVSA-N 472.417 1.609 30 10 JDEE COCC[C@H](CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267495957 SAKGOZACDJPPBH-CQSZACIVSA-N 452.361 1.379 30 10 JDEE COC[C@@]1(NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2281816318 XELFHBIOYATCDH-JOCHJYFZSA-N 464.372 1.475 30 10 JDEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@]1(CNC(=O)OC(C)(C)C)CCOC1 2281970522 DIHXJWOZERMMDT-QFIPXVFZSA-N 464.372 1.475 30 10 JDEE Cc1nn(C)c(C(=O)NCCOCCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281978615 GKSVSRQQEGEEFE-UHFFFAOYSA-N 466.388 1.689 30 10 JDEE CCn1cc(C(=O)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282039191 RIJUTRJZMRPJRV-JOCHJYFZSA-N 464.372 1.304 30 10 JDEE CO[C@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)OC(C)(C)C)C1 2282580780 YHBIHJWKPKPIKA-CABCVRRESA-N 464.372 1.853 30 10 JDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282614009 FZYKSVIYAYYOSX-CABCVRRESA-N 463.388 1.832 30 10 JDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282835199 QKVKBBWVNIGZOD-ZBFHGGJFSA-N 484.428 1.643 30 10 JDEE CC(=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccccc1)c1ccccc1O 2327749691 JAIZTRZOGLBQOX-MRXNPFEDSA-N 478.509 1.415 30 10 JDEE COc1cc(C=Nn2c(SCC(N)=O)nnc2C2CC2)ccc1OCCN1CCOCC1 2331738952 DMFGHJYFCUIDQJ-UHFFFAOYSA-N 460.560 1.335 30 10 JDEE CC(C)(C)OC(=O)N1CC(OCCCNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2337064411 RLPIYXIKDDFRTF-UHFFFAOYSA-N 450.345 1.465 30 10 JDEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)N3CCCN(Cc4nnc(C)o4)CC3)n[nH]2)cn1 59832286 BHLWCRYEMVJJJL-UFFVCSGVSA-N 485.578 1.151 30 10 JDEE C[Si](C)(C)c1cocc1B1OB(c2cocc2[Si](C)(C)C)OB(c2cocc2[Si](C)(C)C)O1 196173895 UBOHSLVLQQPQDD-UHFFFAOYSA-N 498.183 1.651 30 10 JDEE C=CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc3c(cc2OCCOC)OCO3)c1=O 521238413 CGFVMPCQZDXNBS-UHFFFAOYSA-N 485.562 1.125 30 10 JDEE O=C1C(S(=O)(=O)O)=Cc2cc(S(=O)(=O)O)ccc2C1=NNc1ccccc1C(=O)O 606508451 WTEKGMCGVMPIQY-UHFFFAOYSA-N 452.422 1.259 30 10 JDEE C#CCN(C(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 729332210 WDPLCCXIRJALDB-FQEVSTJZSA-N 460.577 1.736 30 10 JDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCCOCC 729671266 SOQAZRZWNZHAPX-UHFFFAOYSA-N 453.568 1.403 30 10 JDEE COc1ccc(O)c(C=NNc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)c1 1084563413 QKVGFYGTBJVUHY-UHFFFAOYSA-N 458.460 1.791 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)CC1 1136632973 VNBSLDONGUGWAL-CVDCTZTESA-N 458.559 1.000 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cc(C)nc(N2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 1286380314 GZUVHRXJHXRQSQ-FQEVSTJZSA-N 499.641 1.395 30 10 JDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286384299 HLWFIVSZJHWESQ-RTWAWAEBSA-N 469.611 1.973 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOc1ncccc1Cl)[C@H]1CCS(=O)(=O)C1 1286390509 AKYAKYJMXXFFOS-SJORKVTESA-N 479.990 1.926 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1ccc(C(N)=O)nc1)[C@H]1CCS(=O)(=O)C1 1286392044 AISXQECTFUEPOD-SFHVURJKSA-N 498.540 1.165 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1286398271 WWCZLQQKJMMNOE-HXUWFJFHSA-N 474.631 1.973 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCOCC2)CC(OCC)C1 1286415481 NWQIWLYUUFYZMD-UHFFFAOYSA-N 468.602 1.247 30 10 JDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(O)CCOCC1 1286432778 XTAXJVCPBVTEFZ-UHFFFAOYSA-N 476.625 1.647 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CC=CCC1 1286453663 BGRLZZCFQNZQHF-SFHVURJKSA-N 460.579 1.929 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccnc2OCCC)CC1 1286485654 SVBPZTFNLYJVMV-SFTDATJTSA-N 454.575 1.989 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(=O)N(C)CC)CC1 1286486856 CFNLJJDQWUNPRZ-UHFFFAOYSA-N 474.569 1.779 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)N1CCOCC1 1286768020 NTORRUJTZYNFOM-UHFFFAOYSA-N 481.601 1.942 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](Cn3nc(C)nc3C)C2)nnc1[C@]1(OCC)CCOC1 1286793552 YQBORYUALAPPDY-CVDCTZTESA-N 472.594 1.357 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C)CC1 1286822077 YTGRLQGOWCUOLD-UHFFFAOYSA-N 468.587 1.290 30 10 JDEE CC(=O)N1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CS(C)(=O)=O)CC1 1286850441 FTAIGHGXNNNSQZ-MRXNPFEDSA-N 458.588 1.945 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1300489759 RRXYAJNBMQPWJA-FPOVZHCZSA-N 485.610 1.839 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1300498165 ICVAGWDRNRRTLD-JAXLGGSGSA-N 488.610 1.556 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCC(=O)N1CCOCC1 1300648668 GWBQBBGRVHGKGU-UHFFFAOYSA-N 468.533 1.428 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCCC1 1300671140 CMONLTROAXHIKK-GOSISDBHSA-N 453.609 1.667 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@@]2(O)CCO[C@@H]2C)n1 1300681605 VNWHUYMOIXQXCO-JPYJTQIMSA-N 451.531 1.363 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@]2(O)CCOC2)CC1 1300718965 JACCDKDBZCMFHP-SANMLTNESA-N 497.596 1.858 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCNC(C)=O)CC1 1300719054 MSPXOIIDFKGVFO-UHFFFAOYSA-N 452.515 1.166 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2c(CC)nn(C)c2OC)CC1 1300719680 LPWIGSHHZJWAIF-UHFFFAOYSA-N 450.547 1.592 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cccc(OC)c2)CC1 1300723571 WGIIHQCWRGTWDG-HXUWFJFHSA-N 450.543 1.446 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2CCCCC2)CC1 1300725747 JJVSXIZPDWFVNB-FQEVSTJZSA-N 490.674 1.411 30 10 JDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1300761345 BEGLACDKDICAHE-IBGZPJMESA-N 475.640 1.968 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1300873545 JXIDBLNYASVXKC-KMOPNRPKSA-N 466.608 1.117 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1300951971 CBWIGJWKSVJZOV-GOSISDBHSA-N 466.608 1.168 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1301491135 DWWFKUWLLUCYRI-XMSQKQJNSA-N 476.585 1.108 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1301520573 IWVWASDNCUPZAF-LJQANCHMSA-N 456.522 1.923 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1301585090 HJDREZKBGYIRSJ-UHFFFAOYSA-N 451.578 1.463 30 10 JDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1301615782 WFFLZHUPVBKUCO-LJQANCHMSA-N 455.588 1.950 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2C[C@H]2CCCCS2(=O)=O)cc1 1302989072 HPZFAWYLPAOYCJ-LJQANCHMSA-N 456.572 1.876 30 10 JDEE C#CCC1(NCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CCOCC1 1308091104 ZKUAFSKYUZXSCS-UHFFFAOYSA-N 455.964 1.462 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC1 1311971377 RCBPVZDDZAAALZ-MRXNPFEDSA-N 459.494 1.079 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2Cc2cnnn2C)c1 1358901721 UYPTYIPHVGRGIE-QHCPKHFHSA-N 464.530 1.163 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)N(C)C)c1 1358901917 ZWVISTIRWTTWRB-HOYKHHGWSA-N 454.575 1.937 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CC12CCOCC2)[C@@H]1CCS(=O)(=O)C1 1358955003 CAOHCQUONZYSDX-IEBWSBKVSA-N 477.631 1.640 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCOCC(C)C)[C@H]1CCS(=O)(=O)C1 1358955260 ISQLETAQXIHNOR-SFHVURJKSA-N 451.593 1.204 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1358956505 GUTOKQJQAGNXGF-JTSKRJEESA-N 473.555 1.458 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358957954 DNZFDXGKWMJRSQ-GOSISDBHSA-N 462.572 1.916 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1358962576 SGGNIJLKGAILED-FXAWDEMLSA-N 458.588 1.656 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2nc(C(F)(F)F)cs2)CC1 1359045146 YJFIQSILDFQUPH-ZDUSSCGKSA-N 481.504 1.719 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1359049447 PNFMYOZXIXKDMQ-SFHVURJKSA-N 490.655 1.607 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CC 1359070360 LDCGSBJSAYRHHV-BBTUJRGHSA-N 450.609 1.087 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1359240869 ZBSQOKACFWSXRH-UYAOXDASSA-N 494.618 1.208 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCN2CCOC[C@H]2C1 1359334561 JTWRKRHFPYXJBE-LJQANCHMSA-N 461.588 1.021 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC(N3CCCC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359335950 ZOOYTJSHALUKSZ-HSZRJFAPSA-N 495.646 1.511 30 10 JDEE C=CC1(CC(=O)N2CCCS(=O)(=O)C[C@H]2c2cnn(C)c2)CN(C(=O)OC(C)(C)C)C1 1455695467 PNRNMLOQKUTDEX-KRWDZBQOSA-N 452.577 1.922 30 10 JDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 1503827621 DNVXHXPEYLOKOJ-MGBGTMOVSA-N 473.603 1.737 30 10 JDEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1504041127 CYTLTSSPCRYOHL-UHFFFAOYSA-N 453.547 1.118 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(C(C)(C)C)s1 1507539059 QRYRVIWKGSIUBE-KGLIPLIRSA-N 467.621 1.266 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1507627237 RHUXQFAJHQJFDO-HUUCEWRRSA-N 499.515 1.565 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1507633763 GXWHOCSQMMLYHD-UXHICEINSA-N 492.671 1.107 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1507710246 DQLONWKKPQFVRR-AABGKKOBSA-N 497.662 1.538 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2snnc2C)CC1 1507740601 VUDLAUCMULBJNI-UHFFFAOYSA-N 456.601 1.808 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@](C)(O)CC)CC1 1507740667 OYAFTFMNAWKVDI-DEOSSOPVSA-N 455.559 1.993 30 10 JDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1507775457 NMNSOYJDFPZHRE-ZBFHGGJFSA-N 476.379 1.991 30 10 JDEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507823237 YHMINKNZNZPUKO-UHFFFAOYSA-N 476.379 1.883 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1508071571 KIUOBSKNPMXOBJ-HSZRJFAPSA-N 458.538 1.736 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H](C)C(=O)NC 1508091100 RSSBUBLKRWVXAL-IRXDYDNUSA-N 477.610 1.513 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1508094458 YAKHJUMLWREYIP-HXUWFJFHSA-N 487.626 1.304 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N 1508145641 NYMJKDPYCMGJLM-IAGOWNOFSA-N 482.607 1.926 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@](C)(OC)CC2)nnc1[C@]1(OCC)CCOC1 1508149161 OURPKDUBPWXQEO-RTWAWAEBSA-N 456.609 1.926 30 10 JDEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 1508271100 AHPJAEKIXMJOOO-IBGZPJMESA-N 481.601 1.897 30 10 JDEE C[C@@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)C1CC1 1510232331 DPMSFJBILMZIBU-HTAPYJJXSA-N 458.588 1.743 30 10 JDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1539051815 HXAUVCYPPPQLHR-LJQANCHMSA-N 470.599 1.810 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539200534 KEBHXGZUTAVXDP-LJQANCHMSA-N 476.647 1.405 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1539206674 UJRWCFNZKYBZOA-CVDCTZTESA-N 488.614 1.066 30 10 JDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1539300227 TVNCEPXQPIRLHC-WATLYSKOSA-N 483.592 1.739 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCN2CCCO[C@@H](C)C2)CC1 1539484457 PVEZZWKIQUKYPZ-NRFANRHFSA-N 479.629 1.731 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCN1CCOC(C)(C)C1 1539646288 SUBKPLIIHIIWHD-KNQAVFIVSA-N 460.623 1.929 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1540872622 VJKUADVELCHCST-HXUWFJFHSA-N 495.628 1.313 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1540904459 NHTJSBIWHPWIIL-FQEVSTJZSA-N 451.980 1.825 30 10 JDEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)F)cc1OC 1547956768 CTTXFQXSLURMBZ-CQSZACIVSA-N 450.446 1.462 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CC23CCC3)CC1 1565142985 YQKUXPFYSUHELS-OAQYLSRUSA-N 459.616 1.084 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCSC2)c1 1587693992 ZDNWXPZWTDTRHC-QZTJIDSGSA-N 473.624 1.990 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)N1CCCC1 1587990634 ZQLKGCOEKAHNGC-RTWAWAEBSA-N 472.615 1.518 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1588581625 YRROPHSMHNYYTQ-HNNXBMFYSA-N 499.435 1.414 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(C(=O)NCC)c2)CC1 1588751201 JILGXKBJBKDVQC-VWLOTQADSA-N 466.586 1.483 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1588969183 WQNGBVLLQAEDBZ-UHFFFAOYSA-N 484.601 1.911 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1589581651 UUINXJXLLUYLNW-SXWKCWPCSA-N 497.662 1.772 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2ccnn2C)C1 1593696789 YIHMYFPZOXLGBI-DLBZAZTESA-N 451.597 1.599 30 10 JDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1593775660 BBJGHAZOWQTOMM-PXNSSMCTSA-N 459.551 1.182 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCn2cc(Br)cn2)CC1 1594013751 JYFSVUPKUCVWDI-ZDUSSCGKSA-N 458.386 1.704 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1595522786 KBLCDCHTLXYQCP-UHFFFAOYSA-N 467.480 1.883 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(F)c2F)C1 1595730193 ULSKIFIMSQOHJB-PKOBYXMFSA-N 497.568 1.913 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)C1 1632014967 GDXLXYDIMHILLQ-PWRODBHTSA-N 457.575 1.988 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCc3c(cccc3S(N)(=O)=O)C2)ccc1F 1636419407 ZWMWQTAHSCXCBE-UHFFFAOYSA-N 453.517 1.136 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1Cc1ccc(NC(C)=O)nc1)[C@H]1CCS(=O)(=O)C1 1689984409 OUVLVQPGKNABAZ-FQEVSTJZSA-N 464.551 1.974 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(C[S@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1689993658 JCEDLRGOSAWPAX-WRGVRERRSA-N 460.625 1.784 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1689993683 JLQFVOLMLZSEEY-KRWDZBQOSA-N 478.525 1.425 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(S(C)(=O)=O)CC1 1690000048 QENPROVLHSJRIR-UHFFFAOYSA-N 459.959 1.512 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCCN2C[C@H](C)C[C@@H](C)C2)CC1 1690111857 KXJQVRAKEFPTCL-NJYVYQBISA-N 479.695 1.402 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1690156365 WHWQFXQNUCGOOV-HOTGVXAUSA-N 483.689 1.594 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1690174701 IUFKHACTEBXTIA-OKYOBFRVSA-N 467.661 1.992 30 10 JDEE C=CCN(C)c1nnc(COc2ccccc2F)n1CCS(=O)(=O)N1CCSCC1 1690533742 UMZFTHAKRZXVAU-UHFFFAOYSA-N 455.581 1.997 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2nccnc2C)CC1 1690662612 BMGNTKKOGYRJGT-UHFFFAOYSA-N 496.597 1.076 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(CC(=O)NC)CC1 1690665816 QDZLYVBTWUFSCU-UHFFFAOYSA-N 456.547 1.617 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1690672766 CGIYUOZQHABCOT-QGZVFWFLSA-N 452.519 1.650 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1690676080 PBSAHJIVANWPKG-FQEVSTJZSA-N 485.608 1.903 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cc1 1690678253 PQTPLUWUKITYFH-RUZDIDTESA-N 495.584 1.844 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C(=O)NC)C2)cc1 1690679496 WRVHXUACKJFMAX-IBGZPJMESA-N 477.525 1.490 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OCC(N)=O)c2)C1 1690684791 OAMKLOCKTXBODX-LJQANCHMSA-N 454.531 1.208 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(Cn2cccn2)CC1 1690729020 DJMCLBUOLIIBLD-UHFFFAOYSA-N 472.619 1.854 30 10 JDEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCSCCCO)C[C@@H]2C)CC1 1690864571 URZVTFBNOFCVRG-CVDCTZTESA-N 497.669 1.921 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1CCS(=O)(=O)N1CCSCC1 1705501681 MHFZXOAJJANNSM-MRXNPFEDSA-N 467.592 1.833 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@]2(O)CCN(C)C2)c1 1705507061 QJJOXPKFDLLFTA-YKSBVNFPSA-N 452.559 1.643 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1705559097 QWYKXFDJSGBXKC-FQEVSTJZSA-N 455.584 1.692 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1705559786 BKBIKUJLXOGRRU-IERDGZPVSA-N 498.556 1.585 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705560968 MDPRJAKDJSSFRQ-QAPCUYQASA-N 464.510 1.899 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1705561197 OFUHZEXPOKXOFT-AWEZNQCLSA-N 483.392 1.187 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CC[C@@H](N1CCOCC1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705561633 VHSUBUUPEQJMEY-IAGOWNOFSA-N 491.580 1.856 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705564806 CSHCGCUKDFPJAF-QGZVFWFLSA-N 468.539 1.315 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1705567364 VRJWGDZCDAEDFO-MSOLQXFVSA-N 497.042 1.703 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1oc(CCC)nc1C)[C@H]1CCS(=O)(=O)C1 1705567713 ZTCWVTBRPYCABX-KRWDZBQOSA-N 457.560 1.603 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1705570616 OZVWNBGGHRXATH-SFHVURJKSA-N 459.547 1.161 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CC(F)(F)CO2)CC1 1705634010 GEESJWUBVPVKCX-SFHVURJKSA-N 494.568 1.375 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 1705894470 ABQPGDBTKRTGQU-INIZCTEOSA-N 469.546 1.873 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1705906691 MCLXZBTXHZHVAK-INIZCTEOSA-N 450.421 1.798 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1705909378 VMICSOPLMHABBI-IKGGRYGDSA-N 498.650 1.910 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](NC(C)=O)C1 1705936319 OCYCVGXOTLKRNH-PXNSSMCTSA-N 475.571 1.496 30 10 JDEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705943639 GZLJYCIKSCBOQF-INIZCTEOSA-N 469.571 1.854 30 10 JDEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCCCO2)CC1 1706004207 FTWRJUHHDFEPAB-QHCPKHFHSA-N 481.601 1.898 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1722332142 DMVSEWMEYCJLRZ-LJQANCHMSA-N 488.614 1.716 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1722371869 MIRFJZTXPOITLT-KRWDZBQOSA-N 490.655 1.381 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@@H]1OC 1722394469 UUFQRALHMITMGB-RXVVDRJESA-N 460.538 1.706 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCNc2ccccn2)CC1 1722433172 NVLHYWNODSLBHE-DEOSSOPVSA-N 453.591 1.971 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCn2cc(Br)cn2)CC1 1722445722 AZFQVCAWFNAMRE-UHFFFAOYSA-N 486.378 1.304 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C)Cc2ccc(F)cc2)CC1 1722447902 PBKSEDQKRFAXFX-OAQYLSRUSA-N 481.576 1.466 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1722618854 VZNKQXLAIQDWAM-QZTJIDSGSA-N 453.609 1.709 30 10 JDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1722629565 SYJNLEKRQRSLLW-GOSISDBHSA-N 465.562 1.370 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C 1722667892 YFCAPDFRMHMDRR-KNQAVFIVSA-N 495.603 1.930 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C(=O)N(C)C)c2)C1 1722709998 BSZWYMLSBUOYKR-VQIMIIECSA-N 476.603 1.420 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1722724798 GJJUUAZJFHJPHP-GOSISDBHSA-N 473.665 1.833 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1722726897 CUNNXXQJGLOZKT-IBGZPJMESA-N 489.646 1.931 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740623351 RWFJWPDZMMAJEM-MOPGFXCFSA-N 464.636 1.365 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccccc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1740625742 HWORMZFSLPCFAR-LEWJYISDSA-N 488.610 1.872 30 10 JDEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CCS(=O)(=O)NC 1740643258 DUAUGMZDWDSERS-UHFFFAOYSA-N 466.361 1.242 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CCN1CCN(C(C)=O)CC1 1740683206 YGDSLCITZKQWMR-UHFFFAOYSA-N 489.418 1.958 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCSC2)CC1 1740703008 CWTOXFQTVFJMOJ-DHIUTWEWSA-N 477.631 1.153 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc([C@H](C)O)cc2)CC1 1740703631 ZBDWTURRGNIKEB-SIBVEZHUSA-N 481.597 1.998 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)N(C)C2CCCCC2)CC1 1740704379 NEUUGQMNAXKPOE-UHFFFAOYSA-N 466.590 1.436 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1740715542 BRDLTIWYFAIWSG-OAQYLSRUSA-N 496.637 1.886 30 10 JDEE C=C(C)CN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1nnn(C)n1 1740776521 SNEASZWTIUKJIO-UHFFFAOYSA-N 450.595 1.617 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1740865323 SMBYUIFUEDRFOD-CNNODRBYSA-N 483.635 1.742 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCO[C@@H]1C 1740919978 YXERMFQDARSFKT-MRUHUIDDSA-N 467.567 1.760 30 10 JDEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)NCCOC)CC1 1740946009 GLHBBLZFXOWOLO-UHFFFAOYSA-N 494.600 1.307 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1740986783 HDBAHLXTYLEAJE-MRXNPFEDSA-N 463.608 1.826 30 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460.604 1.180 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(N(C)C)CCC2)CC1 1749001067 GIJOITXLMXKWKW-UHFFFAOYSA-N 464.574 1.376 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(F)(F)Br)CC1 1749009692 VWORKTRSJNBJPY-UHFFFAOYSA-N 456.295 1.632 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1749022827 NEWBLCSOAVTJAN-CRAIPNDOSA-N 480.664 1.380 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCS(=O)(=O)C1 1749056648 OAMJBGVQWQRJAC-HRAATJIYSA-N 462.597 1.775 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749128090 RSRNQHKGMNMOAB-KNQAVFIVSA-N 455.607 1.911 30 10 JDEE C=C(Cl)Cn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1749281573 HHLNWGAUJRSQKD-UXHICEINSA-N 452.943 1.497 30 10 JDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(OC)c1)C1CC1 1749519735 QYWWTLZXOWLHTK-QGZVFWFLSA-N 459.572 1.774 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1749734704 LAULMHIDNOMSKF-UHFFFAOYSA-N 467.617 1.261 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1749736868 QYOZKHRBMSXRDV-XMSQKQJNSA-N 461.588 1.639 30 10 JDEE CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1750202166 CPAQZKJUBJKQJR-UHFFFAOYSA-N 474.543 1.242 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ncc(CC)s2)CC1 1760269382 GRFZYOIASINORT-QGZVFWFLSA-N 490.655 1.408 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCOC1 1760289800 VJUXDQOXTPUHPE-YADHBBJMSA-N 459.572 1.339 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(N)=O)CC1 1760321297 DXAUJFIXZVWROG-LNLFQRSKSA-N 451.593 1.253 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1760406554 HAQHFPKTJLAQNE-ROUUACIJSA-N 454.641 1.649 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1760521096 JJVFSQOVMFEWII-AEFFLSMTSA-N 457.579 1.006 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H]2CCO[C@H](C)C2)C1 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1.086 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCC2(NC(=O)OC(C)(C)C)CCCC2)n1 2282417266 BELGRWWFYJUMLU-UHFFFAOYSA-N 484.428 1.835 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC2(CNC(=O)OC(C)(C)C)CCCC2)n1 2282504437 OSNBKTBZCRZESI-UHFFFAOYSA-N 484.428 1.835 30 10 JDEE Cc1nc(S(=O)(=O)N[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1C 2282512562 UJGPNZZBYUEMGO-LHSJRXKWSA-N 482.412 1.315 30 10 JDEE Cn1cc(C(=O)NCC2(O)CCN(C(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2282555966 ARNNPAYTQMGXSE-UHFFFAOYSA-N 464.372 1.211 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 2282687245 CTJGHGVFRHFLLS-SJORKVTESA-N 463.384 1.907 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H](O)C1 2282690826 BAHSSHUARXLPEU-QGZVFWFLSA-N 463.384 1.861 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c(O)cc3O)C[C@@H]21 2282975898 QYWVRIFDSWMWNF-ZSBFGKGUSA-N 460.336 1.992 30 10 JDEE CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2289803327 SFSJIKOPHHLJBT-CQSZACIVSA-N 466.344 1.587 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2313962243 JOGCXKLDUPMDQU-MELADBBJSA-N 458.386 1.475 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2313962244 JOGCXKLDUPMDQU-MGPQQGTHSA-N 458.386 1.475 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C3)n1 2359280242 KLWVWDRQLIPRLK-KKUMJFAQSA-N 461.372 1.632 30 10 JDEE C=CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)COC 36072974 CIJATEOGOZICCU-UHFFFAOYSA-N 483.569 1.861 30 10 JDEE C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](O[C@H]3O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@H]12 256079981 NIKZPECGCSUSBV-NPSOOWIHSA-N 464.555 1.796 30 10 JDEE C#CCN(C(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c1)[C@@H]1CCS(=O)(=O)C1 729331375 MTFNUNSIANRPED-QXAKKESOSA-N 482.624 1.815 30 10 JDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H]([C@H]3CCCN3C(=O)OC(C)(C)C)C2)c1=O 749676548 QOMVEQXUWVYIKD-RBUKOAKNSA-N 475.590 1.613 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)c1 1144846284 BNJAQORWDBAJNP-PKTZIBPZSA-N 453.564 1.714 30 10 JDEE C#C[C@H]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)CC2)CC1 1248402392 JTNLYRQSNCKILI-WKILWMFISA-N 450.517 1.811 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCCS1(=O)=O 1286298942 RHTWNIRXILPTEK-HKUYNNGSSA-N 457.604 1.877 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2NC(=O)CC2(C)C)c1 1286310604 DXOXBECDSOVTEB-HKUYNNGSSA-N 498.609 1.151 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1286383849 ONMJRLFNSVKPDX-MJGOQNOKSA-N 492.623 1.402 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC=CO2)n1 1286470687 BGXPTPJAFRIMOR-QUCCMNQESA-N 474.587 1.356 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(O)CCN(C(C)C)CC2)CC1 1286474081 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1286791137 USTMRWQOYVZAPA-UHFFFAOYSA-N 481.557 1.297 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3nccs3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286794110 WXXBAMXDOVZHDL-KKSFZXQISA-N 462.576 1.655 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1286821854 CDDVXQZXNGKTHW-UHFFFAOYSA-N 484.582 1.157 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1286823872 ZCHZLYVJLSYRHL-QFIPXVFZSA-N 471.587 1.350 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286824084 TWDRZEIUBSDTMY-ICSRJNTNSA-N 498.657 1.833 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC2(CC1)COC(=O)N2 1286825131 MHVGSYIHHJGNPD-IAGOWNOFSA-N 481.619 1.876 30 10 JDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1297992688 HDJFMBLOFRALNQ-VQTJNVASSA-N 454.531 1.591 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccn(CC)c1=O 1300299032 KYCCJCGBORHXEC-MRXNPFEDSA-N 453.572 1.926 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC(NC(C)=O)CC1 1300363014 BRGQWYJQCXMHHR-MHJFOBGBSA-N 480.635 1.298 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1300500535 BAZBMNCZWKGYNN-LAUBAEHRSA-N 475.596 1.761 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1300990909 NRBQSMQHWWDPIY-KRWDZBQOSA-N 492.602 1.468 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1301236240 COHPRTOLSRHVKP-OAQYLSRUSA-N 459.639 1.712 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CN(C)C1=O 1301349834 SXBJQZPQSBNAAI-XXBNENTESA-N 488.614 1.282 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1)C(C)C 1301366594 FSJOBDKPORQYBY-NJDAHSKKSA-N 469.634 1.928 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1301457949 HRBSGKPUNNRDJA-LJQANCHMSA-N 479.578 1.510 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1Cl 1301501262 UKPPVARRUJYCLT-QGZVFWFLSA-N 482.994 1.203 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1301584460 ANXHJVGWHKIANP-UHFFFAOYSA-N 461.592 1.580 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](O)C1 1301585290 KZBGCSZMTKZNIE-APWZRJJASA-N 486.598 1.483 30 10 JDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(N(C)C)CCOCC1 1303770746 BSEWNALUIKAFBT-QGZVFWFLSA-N 460.604 1.797 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(C)C)nc1 1358889816 HCQXMUFBSSZOGO-AEFFLSMTSA-N 462.576 1.299 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2NC(=O)CC2(C)C)c1 1358902008 CJKTZDJHJHNKBA-MSOLQXFVSA-N 463.542 1.200 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(Cl)cc1OC)[C@H]1CCS(=O)(=O)C1 1358955344 KHDUUAKYFUDLPH-SFHVURJKSA-N 492.001 1.851 30 10 JDEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1358960004 ULIQHYVXHPMDOY-IBGZPJMESA-N 480.594 1.892 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 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1359292711 WHAWPWUQTPUFIJ-UHFFFAOYSA-N 494.581 1.560 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1359294576 XZYYKDGJTCQQOQ-GOSISDBHSA-N 488.614 1.393 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1359306213 ZDFHVBXLWLVAEY-ZHRRBRCNSA-N 464.567 1.336 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1359333887 NEYGEBVYKFQZSK-JOCHJYFZSA-N 487.674 1.469 30 10 JDEE C#CCN(C(=O)Nc1cc(S(=O)(=O)N(CC)CC)cc(C)c1C)[C@H]1CCS(=O)(=O)C1 1464963074 BMUKAORXSZIGCI-KRWDZBQOSA-N 455.602 1.988 30 10 JDEE C#CCN1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4nc(O)[nH]c4c3)cc2)CC1 1465278682 VDXGBHCWAXCPOE-UHFFFAOYSA-N 453.524 1.850 30 10 JDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1NC(=O)C[C@@]12CCN(C(=O)OC(C)(C)C)C2 1469941529 PQOORYPYJDTIOX-OYHNWAKOSA-N 450.536 1.936 30 10 JDEE C#CCN(c1nnc(CC)n1Cc1ccc(CN2CCCC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 1507633523 GYHMVLPRGQVGLC-HXUWFJFHSA-N 455.584 1.638 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1507635939 WKSZRKIZIRTCPO-LJQANCHMSA-N 470.599 1.694 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCC(O)CC1 1507680183 ZAGVWEYPCQSVEF-GOSISDBHSA-N 474.631 1.353 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(=O)N[C@@H](C)CC)CC1 1507718301 NUPUBXRMIHJYKW-SFHVURJKSA-N 472.615 1.409 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(OCCOC)CCOCC2)CC1 1507724164 JAJBOPSNGKZNCJ-UHFFFAOYSA-N 471.577 1.975 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCNC(=O)OC(C)(C)C)CC1 1507737009 XUSFSUNJOIHETJ-UHFFFAOYSA-N 453.547 1.831 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCCNC(=O)C1CCC1 1507795865 FQXHRXYTYQBUIW-ZCNNSNEGSA-N 479.647 1.904 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1507804121 IPTKRMWEBJVDDG-OBQKDBCYSA-N 453.609 1.873 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC=C(COC)CC1 1508079777 DAMCHZKXLMEZJV-UHFFFAOYSA-N 459.576 1.323 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1508084242 KGFWDPYOTPLLAE-UHFFFAOYSA-N 498.035 1.838 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1508088501 GPFUUDVYZYKTMN-QFBILLFUSA-N 457.531 1.893 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)CN2CCN(CC)CC2)C1 1508107640 DLVVEODLLKMIMO-SFTDATJTSA-N 459.639 1.569 30 10 JDEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCOCC1 1509949779 CFIDEBGWAVCUDS-QGZVFWFLSA-N 450.547 1.653 30 10 JDEE Cc1nc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cc3F)CC2)n[nH]1 1511562701 APSPCEUKNGAONA-UHFFFAOYSA-N 466.525 1.423 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CCc2cccs2)C1 1519562238 FLYFTAGJFNYUFY-QGZVFWFLSA-N 450.590 1.655 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc2cccnc12)[C@@H]1CCS(=O)(=O)C1 1539200155 ADUJDEFVXRCXSH-LJQANCHMSA-N 466.567 1.640 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1539212679 XGMPWQOSMZUGSQ-CQSZACIVSA-N 485.488 1.259 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCCOC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1539215487 DECGPELACQYAFG-UXHICEINSA-N 459.572 1.553 30 10 JDEE C#CCN(c1nnc(COCC)n1CCn1c(O)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 1539230598 ISXWYUKYLQUGRC-INIZCTEOSA-N 458.544 1.197 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c[nH]nc2c1 1539370692 YXLBPICKFDQIBE-IBGZPJMESA-N 457.560 1.190 30 10 JDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1539682298 ZQERDAFIKKCZCX-UHFFFAOYSA-N 462.551 1.740 30 10 JDEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1540014235 JVAWXPLTMJZSGF-UHFFFAOYSA-N 496.612 1.948 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2c1OCO2 1540169892 KEWAMIHXTXYUOD-GOSISDBHSA-N 461.544 1.566 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1NC(=O)CC1(C)C 1540186774 HDGOQVLLPILBQT-FUHWJXTLSA-N 461.588 1.923 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)(C)C)CC1 1540871803 ULNFBIBJKUSSPL-SFHVURJKSA-N 491.637 1.809 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(O)cc2)CC1 1540897761 ROOCTKXYNABHOT-UHFFFAOYSA-N 462.576 1.049 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC1(O)CCCC1 1541942444 DNELCFPOFKZTOF-MRXNPFEDSA-N 491.593 1.531 30 10 JDEE Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)c(=O)n1C 1542383653 DCPNFIMPINCOQG-IBGZPJMESA-N 452.540 1.496 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1588035344 SHIVDXKCLQDVTP-AEFFLSMTSA-N 482.509 1.589 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccnc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1588059699 SNGVFEJCABYDFE-LJQANCHMSA-N 475.615 1.962 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N1CCCCCC1 1588574366 FZWKRKMBGRNKQK-UHFFFAOYSA-N 453.547 1.804 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1589069172 IYNNHFZSZNTWMF-HZPDHXFCSA-N 469.633 1.650 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(=O)N(CC)CC)CC1 1594096760 HBQJYQHLYRMTGD-SFHVURJKSA-N 468.624 1.416 30 10 JDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O)C1CC1 1595021014 QHNGWYXTBLZLMY-LZLYRXPVSA-N 486.664 1.247 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@]2(CNC(=O)C2)C1)C(C)C 1595171072 PTCURRFFUKCXOV-GLDPYIMESA-N 455.607 1.644 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](C(=O)OC)C1 1595490115 MTUGULBKTRNLNG-CYBMUJFWSA-N 465.352 1.738 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1595501130 NAMPAAOQSKPFCK-UHFFFAOYSA-N 491.599 1.425 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCS2)C1 1595728469 BOWKVNOEEMMUPM-ZACQAIPSSA-N 457.622 1.288 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1595789404 SCUXZFBGVFEJGP-ZWKOTPCHSA-N 463.535 1.547 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSCCS1 1611307473 CYQDLPWPIYATPU-QLFBSQMISA-N 460.651 1.198 30 10 JDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1617606036 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C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690254729 HTFGBZTWDQYBES-MDPIYQRISA-N 468.620 1.923 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1690632791 PXVCOXWIFKSPJG-UHFFFAOYSA-N 474.631 1.915 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1690643808 XISIVOLKQCUWLK-JUMZHAFNSA-N 467.617 1.732 30 10 JDEE Cc1nnsc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1692938447 DERRKDCWILFBBY-UHFFFAOYSA-N 458.573 1.497 30 10 JDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCS(=O)(=O)C1 1696173704 CLSUMOADEVSFQK-IRXDYDNUSA-N 461.544 1.419 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CCn1cc([C@H]2CCOC2)cn1)[C@H]1CCS(=O)(=O)C1 1705561104 QBUFKFDZCWJKSR-HKUYNNGSSA-N 460.604 1.603 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(C)COC2)CC1 1705640569 WXGKNIAAKRLFCR-GOSISDBHSA-N 460.579 1.378 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2([S@@](C)=O)CC2)CC1 1705651160 MGUKNFVHEFWOCU-MGBGTMOVSA-N 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458.584 1.994 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCN1S(C)(=O)=O 1740639682 DUSPCUFJYAPWPQ-YLJYHZDGSA-N 455.540 1.287 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1740702022 HDOVHJYVCUPKBO-KRWDZBQOSA-N 470.540 1.805 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNS(C)(=O)=O 1740731527 XICJNKQUJSVVCC-HTAPYJJXSA-N 480.635 1.934 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ncc(Cl)n1C 1740795022 MHBTUFAYDPILEF-HNNXBMFYSA-N 488.014 1.227 30 10 JDEE C=CCCCn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740881883 SSCGEHHQONMFGH-BBWFWOEESA-N 473.578 1.162 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2C)C1 1740992191 MSMCEEGSQJMRAY-ICSRJNTNSA-N 494.639 1.667 30 10 JDEE CC(C)(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)C1CC1 1741247235 DCGARRBZFGRFSL-JXFKEZNVSA-N 454.572 1.879 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 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1.797 30 10 JDEE Cn1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)n1 2267138153 SFFBHKLLTXBLCO-GFCCVEGCSA-N 462.278 1.905 30 10 JDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2267151222 XPAGEIRBFSLYKJ-CQSZACIVSA-N 466.413 1.723 30 10 JDEE CC(C)(C)OC(=O)NC[C@H](NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C1CC1 2267704175 JLKQBHIIUNBQFA-KRWDZBQOSA-N 467.397 1.962 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H]2CC[C@H]1[C@@H]2NC(=O)OC(C)(C)C 2282332348 ZNIOJYUPZDKGBR-JKIFEVAISA-N 482.412 1.396 30 10 JDEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2282576774 VQHQNNHMNARXJD-HNNXBMFYSA-N 463.388 1.000 30 10 JDEE Cn1nc(C(=O)NC[C@@H]2[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)cc1B1OC(C)(C)C(C)(C)O1 2282612535 UOQWFSBGFOFMRG-ARFHVFGLSA-N 460.384 1.952 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2CC[C@@H]12 2282654237 JAZMWYVLOYMGAK-RRFJBIMHSA-N 461.372 1.632 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)OCC12CC2 2284045759 QUOUIFSEJVJIPP-CYBMUJFWSA-N 480.396 1.756 30 10 JDEE Cc1nn(C)c(C(=O)N[C@H](CN(C)Cc2ccccc2)C(=O)O)c1B1OC(C)(C)C(C)(C)O1 2284433461 MJHWIECLPGTAQA-QGZVFWFLSA-N 456.352 1.343 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2300275194 ZWSOTCCUSIZDPM-IRXDYDNUSA-N 454.336 1.907 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]1(C)CN(C(=O)OC(C)(C)C)CC1(F)F 2361662370 JTLKLQIEFCTIRV-LJQANCHMSA-N 471.314 1.489 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C 2362453781 VBLIJKIUWMTMKD-AWEZNQCLSA-N 464.372 1.821 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H]3C[C@]2(CNC(=O)OC(C)(C)C)C3)n1 2366376444 LSIVOPXXNSACER-XLOAEROZSA-N 461.372 1.634 30 10 JDEE COC(=O)c1ccc(/C=N/Nc2nnc(SCCC(=O)NCc3ccc4c(c3)OCO4)n2N)cc1 20914193 VTTLZFVVBVWRGY-BRJLIKDPSA-N 497.537 1.752 30 10 JDEE CC(C)c1nnc(CNC(=O)CSc2n[nH]c(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2)o1 59878713 BSRHBRJFGIOEBG-KPSZGOFPSA-N 461.464 1.779 30 10 JDEE CCCCCCCCCCCCC/C=C\[C@H](O)[C@H](N)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 85426144 HHJTWTPUPVQKNA-VLYMJQHNSA-N 461.640 1.748 30 10 JDEE COc1ccc(/C=N/[C@H]2[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1 100342286 BPVDJXUNJWJXMH-WBFGVBCHSA-N 465.455 1.197 30 10 JDEE in-vitro C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204863756 DUDNOLYPNXLSMK-HOCLYGCPSA-N 461.372 1.384 30 10 JDEE CCOc1ccc(/C=N/Nc2nnc(SCC(=O)N3CCN(CC(=O)NC(C)C)CC3)[nH]2)cc1 253574345 SMFODACGMBBHRD-YDZHTSKRSA-N 488.618 1.410 30 10 JDEE C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1CCC1=CCOC1=O 257664049 YGCYRQKJYWQXHG-CHCLJNJCSA-N 480.598 1.845 30 10 JDEE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 514363004 BWAKMTHHSRDUOV-GOSISDBHSA-N 469.546 1.581 30 10 JDEE COc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnn4ccccc34)c2=O)cc1F 729672182 ASZHLQONUBPPNL-UHFFFAOYSA-N 475.505 1.476 30 10 JDEE COc1ccc(C=NNc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cc1 1084268799 VOUDBETVSWFBOO-UHFFFAOYSA-N 461.529 1.638 30 10 JDEE CCc1nnc(CN(C)C(=O)CSc2nnc(NN=Cc3c(C)nn(C(C)C)c3C)n2N)o1 1084431536 SIZUEQOJHUQGCJ-UHFFFAOYSA-N 475.583 1.528 30 10 JDEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2nnc(NN=Cc3ccc(C)cc3)n2N)cc1 1084481277 UBLLPJWQGYJEAY-UHFFFAOYSA-N 488.599 1.775 30 10 JDEE C#CCN(C(=O)[C@H]1CCCN(S(N)(=O)=O)C1)[C@@H]1CCOc2ccc(Br)cc21 1146862176 OAWIOQUGBZFUIR-XJKSGUPXSA-N 456.362 1.650 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](CCCOC)c2ccc(Cl)cc2)CC1 1248598311 FAVIFKGNRRHEPJ-SFHVURJKSA-N 456.996 1.645 30 10 JDEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286318260 UCXZIDRSALQXKR-UHFFFAOYSA-N 457.966 1.970 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1286389310 HXQBGELHHVZAGC-GOSISDBHSA-N 452.540 1.727 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1286474573 HZFLDEVKQORCPZ-OAQYLSRUSA-N 456.616 1.687 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2csc([C@H](C)OC)n2)CC1 1286490956 YISJKTWZOUYPOF-YOEHRIQHSA-N 471.587 1.407 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC2CC2)CC1 1286815291 QQASNFRZMBEYEI-UHFFFAOYSA-N 460.560 1.986 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCC(=O)N(C)C 1288144609 BOWRRUVMASSNCM-UHFFFAOYSA-N 466.590 1.873 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC2CCN(C(C)=O)CC2)c1 1300331636 NTKNQZHGHKMMJN-UHFFFAOYSA-N 479.585 1.731 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1300483422 LLPBPGJMQVYPGE-WZONZLPQSA-N 488.614 1.066 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1300485170 XZCNQZHOYAEHNS-SJORKVTESA-N 466.535 1.574 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1)[C@@H]1CCS(=O)(=O)C1 1300489828 TVWSCZBQKXZJFT-IFMALSPDSA-N 499.637 1.629 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1300492998 QCBUZBXSPKCKEL-OALUTQOASA-N 473.574 1.973 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1300501928 OLJITTWJJNOYNX-SFHVURJKSA-N 472.596 1.712 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1300502082 QQLQDNIOGBGVQZ-FQEVSTJZSA-N 457.600 1.462 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1300685486 PBBJGTQUWBHIBU-VWLOTQADSA-N 453.587 1.961 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cn(CCCC)nc2C)CC1 1300699700 GHSKYCSCVQPQON-LJQANCHMSA-N 459.620 1.289 30 10 JDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)CC1 1300879573 AXAWYHDTCWIOPS-UHFFFAOYSA-N 461.526 1.167 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCC(=O)NC 1300882710 WHZPBRXQMNFQKZ-VQIMIIECSA-N 475.619 1.792 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCN(CC)CC1 1300915303 MJSSWMDYGCPQON-WOJBJXKFSA-N 452.669 1.856 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)c(F)c1 1301297740 UQAWKNIFSPKRIP-SFHVURJKSA-N 453.540 1.624 30 10 JDEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCN(C(C)=O)CC1 1301374476 ADBIZDRNDOEHKG-UHFFFAOYSA-N 472.615 1.691 30 10 JDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1301458613 DADJMDPWTXWYAT-SFHVURJKSA-N 465.601 1.018 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1301515704 YGPXEMYSLDYKDL-LJQANCHMSA-N 461.588 1.790 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)NCC[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O 1302473952 PNVVWZCADYCRST-KRWDZBQOSA-N 458.515 1.606 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Br)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1358959818 QLQMDOLMNOIRKA-HNNXBMFYSA-N 494.415 1.859 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1359126106 GBMZTUFBBBDYGZ-UHFFFAOYSA-N 468.558 1.775 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1359296269 CWMAQMUGCNYDPQ-KRWDZBQOSA-N 483.598 1.561 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1359333253 RTHFZFJETZZZIS-MSOLQXFVSA-N 482.603 1.914 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(CCC)C(=O)C1 1359333841 LSQUHHZORJXHKR-UHFFFAOYSA-N 485.614 1.566 30 10 JDEE CC(=O)N1CCN(CCn2c(COc3cccc(C)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1359401722 AMEZTKADENAPDH-OAQYLSRUSA-N 453.547 1.058 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(=O)N2CCCC2)n1CCC(C)(C)O 1494134825 AVKCRHQLKLOATN-INIZCTEOSA-N 453.551 1.052 30 10 JDEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO2)CC1 1501901113 DSSXQCOMHSSPCR-NRFANRHFSA-N 451.575 1.986 30 10 JDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1502208027 CEEZZMBYCKHVIR-MRXNPFEDSA-N 451.574 1.122 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1503264319 BYNWFIHGDASQBG-HXUWFJFHSA-N 487.630 1.793 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCCN2CCN(CC)CC2)c1 1507550540 MHNJULOJKLZEPN-JOCHJYFZSA-N 479.629 1.866 30 10 JDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)CCS(C)(=O)=O 1507560703 NCLWOFAVVKCBPR-UHFFFAOYSA-N 456.572 1.866 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1507640007 OAFLZKNWWKRBDT-GOSISDBHSA-N 455.540 1.392 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(OC)OC)c1 1507670163 YUEKGCBAXQKCKV-FQEVSTJZSA-N 456.568 1.983 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1508059622 YGCXDJLHKWSFFV-GOSISDBHSA-N 476.607 1.037 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1C[C@H](OC)[C@H](OC)C1 1508078806 JKOAXTNXYIVNGF-IYBDPMFKSA-N 450.337 1.860 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1508083848 DAOAJRWEFURASJ-HKUYNNGSSA-N 459.620 1.483 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CC(=O)N(C)C[C@H]1C 1508149221 QRWRANBFGGRPDB-MRXNPFEDSA-N 463.560 1.133 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCC1 1517124097 GLKDVEQZTVCGTR-LJQANCHMSA-N 474.587 1.424 30 10 JDEE C=CCO[C@@H]1CCN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)C1 1534784510 JBZGKYDSMFWHSR-OAHLLOKOSA-N 459.362 1.887 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1539124903 IREHNZVPIASYSZ-INIZCTEOSA-N 450.634 1.597 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1539221501 ORJAWBNTMNBXBD-IRXDYDNUSA-N 454.618 1.243 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)NC2CCCCC2)CC1 1539489858 YJCUQGGADUPJGC-UHFFFAOYSA-N 480.617 1.554 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1540028517 FHIVLNLPCSZZRF-JOCHJYFZSA-N 494.639 1.956 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N1CCOCC1 1540128237 ZDCTYBSMRVIPPZ-UHFFFAOYSA-N 461.526 1.977 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC12CCOCC2 1540171203 WSOFFAAAFIMDAL-QZTJIDSGSA-N 451.593 1.606 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@@H](Cc3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540876535 UYDYBEBKIDXHRJ-FDDCHVKYSA-N 457.579 1.423 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](SC)C1 1540897514 KZMUPOGCPZZMPD-HUUCEWRRSA-N 465.667 1.211 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCSC2)C1 1540904218 LHSUQVHQFAXBQN-QAPCUYQASA-N 460.647 1.114 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(CC(N)=O)CC1 1540905147 QJHZDHFWGZSYLY-LJQANCHMSA-N 475.571 1.483 30 10 JDEE CCN(CC)C(=O)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cc1 1547402241 AHLMLNSBNCZNAC-HXUWFJFHSA-N 465.558 1.773 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1562066854 SZJBABIDEOSBRP-HFTRVMKXSA-N 457.574 1.255 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(C)c1 1587862102 SVTJRMUJEUVBFF-HXUWFJFHSA-N 461.588 1.978 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCCC)c(OC)c1 1587989413 JCMBJQARBSVPLP-FQEVSTJZSA-N 477.587 1.526 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588069101 HHWZCVJCLNYNHD-RBBKRZOGSA-N 498.653 1.548 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H](OC)C(F)(F)F)CC1 1588923737 KUNKFGUZDMDVML-HUUCEWRRSA-N 456.469 1.162 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1595501478 VNPBTBQZERQGBE-UHFFFAOYSA-N 470.541 1.359 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1595523342 URULLFHGQZYOTR-SFHVURJKSA-N 452.559 1.999 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1595688707 MYTOJZJUQHGSSG-JTSKRJEESA-N 478.571 1.293 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C)C(=O)[C@@H]1C 1595761051 WRMBEGRELJIKOY-HOTGVXAUSA-N 465.551 1.825 30 10 JDEE C=C(C)C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl)C(=O)OC 1632084778 FOVICFWODZRGRG-SFHVURJKSA-N 457.980 1.904 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)CC1 1662678960 LDAPNMHURPGKIY-UHFFFAOYSA-N 450.337 1.674 30 10 JDEE COC(=O)c1ccc(CCNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(OC)c1 1686341145 DGRGQTRYUCOZLM-FQEVSTJZSA-N 450.495 1.996 30 10 JDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCn1cc(Br)cn1 1689946707 UYKIRKCDZRNHDO-ZDUSSCGKSA-N 458.386 1.397 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1689978243 QCNTXMMDLJPJQB-ROUUACIJSA-N 473.603 1.282 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1689991212 YJFVCFJSXBZNSK-VQTJNVASSA-N 471.583 1.488 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689996954 SBQPJDBBIROQCK-HXUWFJFHSA-N 488.610 1.724 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCCC)cc1 1690019819 SBPJPSLCXWXYFY-NRFANRHFSA-N 471.583 1.521 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1690113296 FSCMESSBQWKLNF-VWLOTQADSA-N 481.601 1.827 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2ncccc2Cl)CC1 1690137212 QJZIENTUUGHUKV-UHFFFAOYSA-N 473.965 1.510 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](c2ccco2)N(C)C)CC1 1690137716 HGPRBCJDNHEYOT-CJFMBICVSA-N 484.601 1.792 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(N(C)C)nc2)CC1 1690145982 CGOVRSWWEAAPOQ-FQEVSTJZSA-N 451.575 1.647 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN2CCC)CC1 1690146011 CYYPOSITSGSFHR-PMACEKPBSA-N 476.647 1.020 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1690244197 UVCILZDZMJKQGV-JTHBVZDNSA-N 468.602 1.811 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1690288055 FVXIACOHPWTNAY-QGZVFWFLSA-N 480.616 1.211 30 10 JDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690315915 PHBXSKPDWRCNME-UHFFFAOYSA-N 455.563 1.030 30 10 JDEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690437876 RQKUGJNQRPLNMC-HNNXBMFYSA-N 471.587 1.019 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(C(C)=O)CC1)C1CC1 1690544983 GWRPGGAFQJZQHS-LJQANCHMSA-N 466.608 1.024 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690664466 UMFBYBUIKKDSQC-UHFFFAOYSA-N 473.965 1.475 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1690666705 DNCKQIKKNOAHJL-UHFFFAOYSA-N 494.474 1.871 30 10 JDEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1690742194 JOXPPUSWLVCPEP-UHFFFAOYSA-N 454.560 1.975 30 10 JDEE Cc1nc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)sc1C 1692948937 BTQQHQRAEQDSIU-WFASDCNBSA-N 453.594 1.471 30 10 JDEE CCn1nc(-c2nnc(N3CCC(C#N)CC3)n2CCN(C)CCOC)c2ccccc2c1=O 1695899828 HWKPUXFRCDWGMP-UHFFFAOYSA-N 464.574 1.993 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN(C)S(=O)(=O)CC 1705479878 PKMOMSMNCPDESY-MRXNPFEDSA-N 495.675 1.676 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1CC[C@H](C(F)F)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705559807 FWCLUMMICWCCQV-KZNAEPCWSA-N 473.590 1.774 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1705560250 FJPYRUKIFLIMDQ-SJLPKXTDSA-N 494.664 1.728 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CC[C@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705564764 PWNWEWRBRUXDBV-HOCLYGCPSA-N 457.478 1.934 30 10 JDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCn1cc([C@H]2CCOC2)cn1 1705574503 FSNVNEKPJPHYGJ-RDPSFJRHSA-N 452.559 1.792 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(OC)c2OC)CC1 1705639255 JWOMKHBCGYRKIX-GOSISDBHSA-N 459.572 1.001 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCN2CCOC[C@@H]2C)CC1 1705642789 HGTXBVNJXQESHF-NRFANRHFSA-N 452.603 1.895 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nccs2)C1 1705661773 ITQUHVFPEOJMEB-LSDHHAIUSA-N 453.615 1.581 30 10 JDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1705662910 PPXHMHMRBLJWMM-SFHVURJKSA-N 453.616 1.419 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705706340 SMOSQGQBKNPMLO-AVRDEDQJSA-N 473.647 1.825 30 10 JDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1705746546 VQZHSLHJSSMBTB-HHXXYDBFSA-N 455.003 1.743 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)C(=O)NCC3)CC1 1705780892 JZYOEXCZRSUEJU-OAHLLOKOSA-N 458.588 1.625 30 10 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C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1740609772 OQVCMMASBSFYMU-QGZVFWFLSA-N 498.650 1.764 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740615657 IPNNJADFOFMBSJ-FCGDIQPGSA-N 463.604 1.344 30 10 JDEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1740622239 BAOWNGPQXHSASI-INIZCTEOSA-N 454.556 1.531 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(Cl)cc1 1740640871 YCNJJYRWJDBMMR-YLJYHZDGSA-N 492.001 1.805 30 10 JDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(OC)CCOC1 1740673378 RXPGXVADFDWNGJ-VWLOTQADSA-N 452.603 1.908 30 10 JDEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(S(C)(=O)=O)CC1 1740720400 XBBMOTKPEXSJJC-UHFFFAOYSA-N 458.613 1.729 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1740988372 CAQHVITYALYDHU-OAQYLSRUSA-N 475.615 1.856 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1740993602 ATLAAOGQYYCPAY-CVEARBPZSA-N 467.617 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C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1760555765 MSSKHXRLXWWQBM-FUHWJXTLSA-N 450.609 1.141 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)S[C@H](C)C1 1760565695 CNKLODIVIKODHZ-OWCLPIDISA-N 461.679 1.860 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(COC)CCOCC2)C1 1765671461 FHVOSDBVSIMARV-FQEVSTJZSA-N 488.614 1.778 30 10 JDEE CCS(=O)(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1768299034 HKSPQJNYSVBXIZ-IBGZPJMESA-N 473.603 1.310 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C1OCCO1 1772564722 XNFLBMICDXVHAO-GOSISDBHSA-N 463.560 1.327 30 10 JDEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCN(C(=O)N3CCOCC3)CC2)nc1 1858444391 JYJKJVQFTCJLCR-UHFFFAOYSA-N 456.528 1.328 30 10 JDEE C=CCN=c1nc(N2CCN(c3ccccn3)CC2)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871563602 AFMCFNPQTBNXCU-UHFFFAOYSA-N 478.557 1.804 30 10 JDEE COc1ccc(-c2ccc(=O)n(CC(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)n2)cc1OC 1891673304 ONOJGLNYOWNWFC-QGZVFWFLSA-N 476.493 1.659 30 10 JDEE 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C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1286686861 DGQYORLHCCYWFR-MSOLQXFVSA-N 466.608 1.168 30 10 JDEE C=CCCCCn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286690880 XLSAXLYWGUHNQI-FGTMMUONSA-N 487.605 1.552 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1286809991 XMGZGUKGBWCIND-BRWVUGGUSA-N 454.522 1.367 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1286818911 SMCRPDDZLSIREH-BGYRXZFFSA-N 459.572 1.888 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2cnn(CC)c2)CC1 1286820698 PKIWJAXVSGMFNH-SFHVURJKSA-N 496.659 1.381 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286821223 DVWBFRXMWQJPAD-GOSISDBHSA-N 490.561 1.082 30 10 JDEE CC(=O)N1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccccc3C#N)CC2)C1 1286855288 AHOGGISTLFOJRW-FQEVSTJZSA-N 478.601 1.873 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCN(C)S(=O)(=O)c2ccc(F)cc2)c1 1297207287 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C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1300991750 QGXCEUXNOBZICD-OAQYLSRUSA-N 453.591 1.984 30 10 JDEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 1301045004 PBOQUFQTXRTLKS-IAGOWNOFSA-N 484.985 1.680 30 10 JDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)c1cc[nH]n1)C1CC1 1301316518 DWRIJGWYWKMWKI-UHFFFAOYSA-N 455.544 1.657 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCCS1(=O)=O 1301399492 OTRRYAWYYAWUFF-IBGZPJMESA-N 458.588 1.500 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN(C)C(C)C)CC1 1301501578 ZFAGKCKSOMDRSH-SFHVURJKSA-N 452.625 1.039 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(Br)n2)C1 1301540099 ZHRXLESOYNUIGY-ZFWWWQNUSA-N 485.408 1.875 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(OC)c2)C1 1301556975 LCLYKWSWRPSMDF-VQTJNVASSA-N 477.587 1.449 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](C(N)=O)C1 1301577114 JZYXPKYDWYDNOE-HNNXBMFYSA-N 463.560 1.265 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C)C(=O)[C@@H]1C 1301586043 HJWVWBCPHVMMSY-KRWDZBQOSA-N 456.572 1.549 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2nccs2)CC1 1301587445 ZTUCXJRYGLGGJO-HNNXBMFYSA-N 450.590 1.671 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(CN2CCOCC2)CC1 1301588865 KVTRPOFPGMZUKD-HXUWFJFHSA-N 467.636 1.322 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccnc1OCC(F)(F)F 1303410966 CMCMYADCCKYWTQ-CQSZACIVSA-N 453.425 1.529 30 10 JDEE CCCCn1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)c(C)n1 1306718777 GAXSQBIMYWWCNU-VQIMIIECSA-N 478.623 1.560 30 10 JDEE CCS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)CC1 1314547077 CMWPKEAKISQKDL-HSZRJFAPSA-N 488.614 1.798 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(N(C)C)CCSC2)CC1=O 1316138642 FRUZHWPKYWOUCK-XMMPIXPASA-N 499.641 1.461 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)C(C)C)c1 1358903374 UMVAKBMGZGXRLQ-XMMPIXPASA-N 452.559 1.864 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1c(F)cccc1F)N(C)C 1358949337 ZATJWKFCOQWDOQ-MSOLQXFVSA-N 482.557 1.262 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1358955482 MSULWDVGKICHPI-MRXNPFEDSA-N 464.617 1.305 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1358956728 JYBSSEBDKWMWTO-NVVBAYIOSA-N 491.614 1.965 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)NC 1359017650 MVEICNIATPNCDQ-UHFFFAOYSA-N 481.557 1.845 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1N1CCOCC1 1359287569 LJDFHCUUIPIQGZ-HXUWFJFHSA-N 476.603 1.270 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1359335066 ZFVRJDYXVJCIEB-UHFFFAOYSA-N 491.662 1.824 30 10 JDEE C#CCN(C(=O)NC1CC(NS(C)(=O)=O)C1)[C@@H]1CCOc2ccc(Br)cc21 1478502569 CNYOANDDPCOIMY-ZBCRRDGASA-N 456.362 1.998 30 10 JDEE C[S@](=O)C1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)CCC1 1505151840 GKUJJTIUNQDHEZ-JTBPQFFMSA-N 463.585 1.379 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507514314 QIFJEZGNLLYADS-MSOLQXFVSA-N 458.588 1.887 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CCC[C@@H]2NC(=O)NC2=O)c1 1507551154 VHYDTCCDQTZITE-SFHVURJKSA-N 451.531 1.521 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1507632595 NVXVRDGBLJSCMF-RTBURBONSA-N 474.583 1.886 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507639977 NROGIIFYTKGINY-FQEVSTJZSA-N 476.647 1.292 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1507746101 KSHPDAQEOYCJBT-HNNXBMFYSA-N 486.664 1.748 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CCCN2CCOCC2)CC1 1507754720 PCLCZFKXCUSHFI-HXUWFJFHSA-N 460.648 1.924 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2conc2COC)CC1 1507902497 KFAVYSTZTGWFOL-SFHVURJKSA-N 466.564 1.196 30 10 JDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507952589 VXNDPJUEZJBWIB-UHFFFAOYSA-N 471.631 1.980 30 10 JDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1507956934 AAMBEUWZFSZTMG-MRXNPFEDSA-N 485.680 1.484 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](S(C)(=O)=O)C1 1508072247 IJIJKRGKSRJHQS-AWEZNQCLSA-N 498.403 1.642 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC(=O)N(C)[C@H](C)C1 1508135207 LBJQPLWXMJILAP-MRXNPFEDSA-N 469.571 1.603 30 10 JDEE C[C@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)CCCO1 1512525995 BQCUBZAFNBWGRW-PMACEKPBSA-N 481.601 1.897 30 10 JDEE COc1cccc(C(=O)NCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)c1 1518350904 BOONYWBOHWJWAC-SFHVURJKSA-N 472.571 1.359 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1539179714 RCSDSRGVNWXMTD-KURKYZTESA-N 496.634 1.326 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1539231916 ZCWJNCZHNZNJDA-WZONZLPQSA-N 490.582 1.298 30 10 JDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)c1cccc(O)c1 1539259726 HBLNJMCVRGMCNU-UHFFFAOYSA-N 460.494 1.604 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[C@H]2COCCO2)CC1 1539447110 ODABFEKATZGFIE-SFTDATJTSA-N 488.633 1.953 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(Br)cs2)CC1 1539447492 SSCRFOLDUPWASI-AWEZNQCLSA-N 484.445 1.808 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1539468419 FTCJZWCOPHGDEU-CPJSRVTESA-N 486.617 1.155 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NCCOC)CC1 1539633325 YNNFFVQCSHCVDB-ONTIZHBOSA-N 476.622 1.038 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1539642937 SSAWDXQYSGMNQU-GCJKJVERSA-N 473.578 1.853 30 10 JDEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 1539744326 IUEBNSVYKPQNRP-KRWDZBQOSA-N 486.598 1.891 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1540037518 NBRGIUONBUWOTB-UXHICEINSA-N 478.619 1.492 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1540867571 ZXZDJHZFFWOHHL-UHFFFAOYSA-N 476.585 1.442 30 10 JDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1540908428 VRRMCGDGGFROTK-ICSRJNTNSA-N 477.679 1.714 30 10 JDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)OC(C)(C)C 1546587150 FPMSDLHVEUQXAZ-GOSISDBHSA-N 469.546 1.968 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)c1 1558254771 DHVHCMPGKIXHRG-OAQYLSRUSA-N 451.545 1.354 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(-n2cncn2)nc1 1587578996 BMVSKWAOFKGKNY-MRXNPFEDSA-N 462.539 1.831 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC=CO2)c1 1587693925 XNOVUAFAQNHFAK-ICSRJNTNSA-N 469.567 1.929 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588049823 LPQUWOFHHYXKFJ-MRXNPFEDSA-N 473.525 1.190 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CC(=O)Nc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1588065323 WVVNHZKOYCGXNY-FQEVSTJZSA-N 482.541 1.668 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSc2ccccc21 1588234026 ZAUIFTOIPHWHGL-ICSRJNTNSA-N 485.635 1.963 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(F)(F)C1(OC)CCOCC1 1588559826 KPTFPKIICMLUHI-UHFFFAOYSA-N 455.506 1.431 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1588560830 VUJBVIWQHKBYLY-UHFFFAOYSA-N 480.617 1.185 30 10 JDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1588848588 JAOKCDNDVSTUBA-UHFFFAOYSA-N 451.575 1.886 30 10 JDEE C=CCCCn1c(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1594773502 DRDDYQASNWSHFE-RUZDIDTESA-N 488.633 1.837 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1CC1(O)CCS(=O)(=O)CC1 1595120078 MBNKAWBKRNIMAO-UHFFFAOYSA-N 473.599 1.533 30 10 JDEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1613428625 AQOVGQIFRICRLH-GOSISDBHSA-N 478.601 1.522 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)c1 1629308843 MEBJXTPKCNNXHJ-UTKZUKDTSA-N 471.583 1.450 30 10 JDEE C#CCC[C@@H](O)CNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 1635011803 LEGPUPDHZNFAOE-OAQYLSRUSA-N 459.543 1.841 30 10 JDEE C#CCn1ccc(CN(CC)C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)n1 1677477673 NFDODFAZJMCPCZ-FQEVSTJZSA-N 459.572 1.705 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1689930379 QNHKDPDKMRHERR-DENIHFKCSA-N 477.562 1.261 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1689977712 BDOHSCATOCDCKO-GOSISDBHSA-N 480.550 1.609 30 10 JDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1689980790 XRVRRZPLOSRJEG-CABCVRRESA-N 461.382 1.537 30 10 JDEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1689988735 VJECOLNMAPBTKX-GOSISDBHSA-N 482.610 1.980 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1690092299 CSARFJVAQOHANA-HXUWFJFHSA-N 488.614 1.657 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCOCC1 1690104077 LVSLTBXDIRDAGS-FQEVSTJZSA-N 492.621 1.395 30 10 JDEE C=CCn1c(N2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)nnc1[C@@]1(OCC)CCOC1 1690653527 VPIMOPYXEGUVSQ-JXALWOEJSA-N 460.623 1.743 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1690699958 LVTVKFRLSLXTFU-BBWFWOEESA-N 493.552 1.225 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1690729317 LUVBMRDRYQCCKB-QHCPKHFHSA-N 473.599 1.791 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)CC1CC1 1696676528 IEMHUVIXBFHRME-UHFFFAOYSA-N 456.572 1.847 30 10 JDEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C1 1696926330 AGLTYFYBHAXUJC-DHIUTWEWSA-N 454.531 1.497 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCNC(=O)c2ccco2)c1 1705504291 SBVAWRGTGWPXDI-UHFFFAOYSA-N 477.525 1.496 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1cc(C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1705565370 HCAVNVHWKFBYMC-RTBURBONSA-N 471.583 1.416 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1705568352 LTERQSCVSRXVLU-XXBNENTESA-N 490.651 1.914 30 10 JDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc(C(C)(C)C)s1 1705621463 DLGRREMXCJVAKI-ZDUSSCGKSA-N 455.610 1.172 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@](C)=O)CC1 1705626641 DKVDJDNETPCBGN-YTTGMZPUSA-N 454.556 1.189 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1705633492 RSFIRIMDQVPCFH-VQTJNVASSA-N 465.668 1.012 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)(C)CN(C)C)CC1 1705634115 JUWHLBVRLXFYCR-UHFFFAOYSA-N 487.674 1.538 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cnn(Cc3ccccc3)c2)CC1 1705643885 CXHAUMCAZSQMKI-UHFFFAOYSA-N 488.596 1.675 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCOC[C@H]2OC)CC1 1705645878 IBACLPIFHHMXOG-WMZHIEFXSA-N 497.596 1.980 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1705749632 CGNFBDDBICFICZ-FQEVSTJZSA-N 480.978 1.979 30 10 JDEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705786912 AQAPVUUKDNFSFY-UHFFFAOYSA-N 475.638 1.972 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1705896227 GAUHMECOOYNNPG-QFBILLFUSA-N 455.519 1.312 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1705897807 UOFAERDRMLGEOW-YWZLYKJASA-N 494.593 1.280 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1705932570 GZZZJQWCDQLVRM-YJBOKZPZSA-N 475.571 1.278 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC(O)CC1 1706072787 HLYVCFLMGWGOPD-UTKZUKDTSA-N 451.575 1.830 30 10 JDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)CCO1 1712303550 HXHRZKHUSLDIOG-IBGZPJMESA-N 475.571 1.405 30 10 JDEE CS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1712701173 DIXVUPZZGFQIOY-UHFFFAOYSA-N 469.546 1.646 30 10 JDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1722339391 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480.472 1.122 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1760183073 LUCPNSXROPICQP-OAHLLOKOSA-N 471.992 1.055 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](C)N1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1760185865 FYLXIGDJBBQWBB-UXHICEINSA-N 450.653 1.129 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCN(C(C)=O)CC1 1760240254 LRNLDOBWYSBXQP-SANMLTNESA-N 498.603 1.873 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1760265117 OGXWQFUATFSZGR-NTKDMRAZSA-N 456.591 1.828 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760322248 PWRWWFJGAWHJFJ-OKYOBFRVSA-N 453.609 1.623 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC 1760333403 FHMWQSUSXCEWCA-WWMYMODYSA-N 479.585 1.992 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCN1CCOC(C)(C)C1 1760507610 SPCLXDLKIVVEFM-UHFFFAOYSA-N 462.620 1.928 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 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CCn1cc(C(=O)NC[C@@]2(NC(=O)OC(C)(C)C)CCOC2)nc1B1OC(C)(C)C(C)(C)O1 2282540623 MEEATLCRBNBZKG-QFIPXVFZSA-N 464.372 1.616 30 10 JDEE Cc1cnc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1 2282648366 NFKDKUDERLZXDY-SJORKVTESA-N 461.368 1.789 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H](O)C[C@H]1CNC(=O)OC(C)(C)C 2282673758 ANMNTKZCUNHGFZ-IRXDYDNUSA-N 463.384 1.907 30 10 JDEE COCc1nnc(SCC(=O)OC)n1N=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2331592163 WEZKXLRVPNUOEL-UHFFFAOYSA-N 479.559 1.291 30 10 JDEE Cn1c(=O)c2[nH]c(Sc3nnc(N/N=C/c4cccc5ccccc45)n3N)nc2n(C)c1=O 20912605 DMMZPPUVFWBSOC-LSHDLFTRSA-N 462.499 1.016 30 10 JDEE C/C(O)=N/S(=O)(=O)c1ccc(NS(=O)(=O)c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)cc1 21010434 QMRZNPAQKFKVKK-HNNXBMFYSA-N 490.585 1.325 30 10 JDEE COc1ccc(/C=N/Nc2n[nH]c(SCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n2)cc1 21039636 OMVUQHZQAPSDKC-ZVBGSRNCSA-N 451.468 1.874 30 10 JDEE N[C@@H](CC/C(O)=N/[C@@H](CS[C@H]1C=Cc2cccc([N+](=O)[O-])c2[C@H]1O)/C(O)=N/CC(=O)O)C(=O)O 30728499 FCTXJUPCCZHZHU-XBPIAWKYSA-N 496.498 1.315 30 10 JDEE in-man,metabolite N#C[C@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@H]1c1ccccc1[N+](=O)[O-] 72444268 VUSBDOYXDLRKDO-HIFRSBDPSA-N 452.427 1.245 30 10 JDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)CC1 486055306 RWFNBZNAUDUDRL-UHFFFAOYSA-N 486.381 1.148 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1CCN1CCOCC1 603797554 ILIJLHNSXYOEBU-UHFFFAOYSA-N 466.607 1.171 30 10 JDEE C#CCN(C(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O)[C@H]1CCS(=O)(=O)C1 729332465 ZDICNAGDEWBVIF-INIZCTEOSA-N 453.442 1.822 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3cccc(OC)c3o2)c(=O)n1C[C@@H]1CCCO1 917356015 RVJAFIQPFCYAON-INIZCTEOSA-N 465.531 1.649 30 10 JDEE COc1cc(NC(=O)CSc2nnc(NN=Cc3ccc(O)cc3O)n2N)cc(OC)c1 1084452852 COKXNMCKHQMSDT-UHFFFAOYSA-N 459.488 1.597 30 10 JDEE COc1ccc(CNC(=O)CCSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)cc1 1084620076 KPOXFECHMOJZEP-UHFFFAOYSA-N 472.575 1.864 30 10 JDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286318604 WQRMWGVSFSWCLS-UHFFFAOYSA-N 497.629 1.975 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1286384297 HLWFIVSZJHWESQ-LEWJYISDSA-N 469.611 1.973 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1286386262 XPLORYFDUQQWDX-HZPDHXFCSA-N 473.534 1.361 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1oc(CCC)nc1C)[C@H]1CCS(=O)(=O)C1 1286389528 LPSWCJLXBHTASW-INIZCTEOSA-N 455.544 1.659 30 10 JDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1cccs1 1286415838 MOHVFHVLBGFHIS-UHFFFAOYSA-N 452.565 1.834 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)N1CCN(CC)CC1 1286463774 LWVMVKVBYRCTII-HXUWFJFHSA-N 468.602 1.828 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCSC2)n1 1286471783 QQCFNTJQOPXTJR-PKOBYXMFSA-N 457.604 1.855 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1286545934 DAJGLGVHFXSJCQ-ACRUOGEOSA-N 460.623 1.946 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1286580897 CGTKELPMAXAYIW-IPJJNNNSSA-N 483.635 1.742 30 10 JDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286633362 HEFRRVYVEHXRDI-ULQDDVLXSA-N 460.000 1.759 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cccc2OC)C1 1286817206 KQJFGOOHYNNHQG-OAHLLOKOSA-N 483.616 1.060 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286818211 UNDXSSHWQMKTHH-ZWKOTPCHSA-N 452.625 1.975 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCNC(=O)C(C)C)C[C@@H]2C)CC1 1286887249 PSFZKPQUCRTQGU-WMZHIEFXSA-N 492.628 1.578 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1286958536 AASLBZKYISZUBT-HBFSDRIKSA-N 475.619 1.385 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[C@@H]2OC)c1 1300331854 SDHZYWDITVEXPO-QRFRQXIXSA-N 488.614 1.760 30 10 JDEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1300404495 ZLRXYYDVEIAYOZ-UHFFFAOYSA-N 497.625 1.950 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCNC(=O)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1300491465 HTAHJCFUYIOPJC-LJQANCHMSA-N 479.566 1.100 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1300515984 GLZBUPXFSZNBHI-LJQANCHMSA-N 463.357 1.330 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1300665813 OPASMEKMQMSFSG-QGZVFWFLSA-N 458.567 1.655 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc3c2OCCCO3)CC1 1300683472 ODAVNAIGHFQQMB-IBGZPJMESA-N 455.559 1.967 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN(C)C(C)C)CC1 1300711840 IUNBBAVEGUWJHD-UHFFFAOYSA-N 452.563 1.231 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC(=O)NCC(F)F)CC1 1300728920 KDPYHFPTVGBLIG-UHFFFAOYSA-N 450.515 1.278 30 10 JDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CCCO)CC1 1300830093 DBPKDNFMNRPROF-CYBMUJFWSA-N 450.403 1.786 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1301458312 RFXAPXZNEPCCJO-KSZLIROESA-N 496.634 1.537 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1301499746 FDPSJJAVAGXRST-ACRUOGEOSA-N 487.649 1.448 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1301584437 AARZKBOOYZAEGT-IBGZPJMESA-N 491.589 1.543 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1301588243 DROWJSHABMLPCK-FQEVSTJZSA-N 473.599 1.654 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1301596128 IIHLBFADUAZMRT-UHFFFAOYSA-N 470.603 1.254 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)CC1 1303456948 ACTHDDUEOCXNNY-UUWRZZSWSA-N 483.642 1.765 30 10 JDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1314700621 FPNAZSCQPPLATN-CEXWTWQISA-N 459.572 1.903 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(SC)CCN(C)CC2)CCO1 1315006287 DHVTUDDFEZMZSO-IBGZPJMESA-N 469.615 1.595 30 10 JDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1315052753 AGHNHIXRGXEMFC-UHFFFAOYSA-N 453.547 1.560 30 10 JDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1358934062 OHWJFOIBKFZWFH-UHFFFAOYSA-N 455.588 1.084 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(F)cc2)CC1 1358994485 OKZYXNNJXXZASL-NRFANRHFSA-N 485.585 1.945 30 10 JDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1359012841 AVIZYWFOEVYTTP-VQTJNVASSA-N 459.620 1.803 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2nccc(C(F)(F)F)n2)CC1 1359030734 DHVWLAPDRVZDNC-OAQYLSRUSA-N 479.507 1.737 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCCn2cc(Br)cn2)CC1 1359036393 VPILTLXBXGXCRM-QGZVFWFLSA-N 462.396 1.977 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1359039174 YWTUDXXJOHWELG-NRFANRHFSA-N 466.586 1.879 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC[C@@H]1NC(=O)NC1=O 1359066031 LNIJLLVIIWDLRS-UPCLLVRISA-N 482.541 1.951 30 10 JDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncc(F)cn2)CC1 1359198420 QGEXHWKPPQWFPD-OAHLLOKOSA-N 452.560 1.500 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1359302372 FFMBVCKDWDWALJ-IBGZPJMESA-N 453.591 1.945 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCNC(=O)[C@@H]1CC 1359327737 JPDLQVDRAGHYDA-INIZCTEOSA-N 469.514 1.862 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1359337700 YERILWDGPUDDOA-CABCVRRESA-N 474.653 1.911 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2O)CC1 1464849313 PJJKIOVLMURQPZ-UHFFFAOYSA-N 456.421 1.400 30 10 JDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1476166776 GVJBQUSIXCIUDB-MRXNPFEDSA-N 455.558 1.134 30 10 JDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1504753474 FMTIGHQZTJFZCN-ZJSXRUAMSA-N 454.575 1.905 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1nc(C(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1507622124 BOCIDHBFHQWYCP-INIZCTEOSA-N 476.628 1.769 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCNS(=O)(=O)c1ccc(C)s1 1507665225 LUNKPAFJUJPDHV-UHFFFAOYSA-N 455.569 1.546 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1C 1507750822 FSFNZQFQVDWXOR-LJQANCHMSA-N 463.629 1.922 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](C)C1 1507794712 AOGRCCUHGDQWRC-WTGUMLROSA-N 467.636 1.318 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1507967217 HAJDTOYNOFEVBG-SFHVURJKSA-N 489.598 1.441 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1508075271 XAHVNEYTZZFHFO-LJQANCHMSA-N 490.630 1.749 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1508143649 MHSNICNJRGDVEB-SJORKVTESA-N 478.644 1.543 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(CC2CC2)CC1 1508143940 LKLQRFZJIFLWST-UHFFFAOYSA-N 450.634 1.767 30 10 JDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1508148314 RGOCOQPPHFNAIQ-WOJBJXKFSA-N 491.706 1.962 30 10 JDEE N#Cc1ccc(-c2nnc(N3CC[C@@H](CN4CCOCC4)C3)n2CC(=O)NCC(F)(F)F)cc1 1521089519 GMYRTOOHVVUQKY-KRWDZBQOSA-N 477.491 1.654 30 10 JDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1539215502 DNSHUGVGFKTEFP-NFBKMPQASA-N 468.583 1.919 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@](C)(O)CCOC)CC1 1539469445 ANPJBMSCBYHEJS-DEOSSOPVSA-N 455.559 1.707 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)C(=O)NC 1539540815 VGXJTGAEOGMRRT-HSZRJFAPSA-N 472.615 1.960 30 10 JDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1539578761 BTHDLTIIRMQWPF-WMLDXEAASA-N 463.398 1.926 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCCCC2)CC1 1539889715 BCSJGFVQMIEYGK-FQEVSTJZSA-N 466.652 1.889 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1540004979 ITSGOGLFSJVJAY-QZTJIDSGSA-N 468.624 1.318 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1540862049 PMJKBAIANGTKBI-JKSUJKDBSA-N 461.567 1.166 30 10 JDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1540873664 FXMGISGXEVFRHJ-IBGZPJMESA-N 457.623 1.446 30 10 JDEE C[C@H]1CN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C#N)c2)C[C@@H](C)O1 1545091235 CGPUKSVVOIFGQT-OTWHNJEPSA-N 489.646 1.896 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCCC2)CC1 1547764156 CJRXJWGJVFKNPU-UHFFFAOYSA-N 492.628 1.868 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@](C)(CO)c2ccc(Br)cc2)c1 1557215843 LWPOKWOKYOXFRG-LJQANCHMSA-N 451.342 1.998 30 10 JDEE C#CCNC(=O)C1CCN(S(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)CC1 1561505439 JATMTFXNRFNJCP-CTNGQTDRSA-N 461.584 1.873 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)c1ccccn1)[C@H]1CCS(=O)(=O)C1 1588024890 PJJRWVXMBMQLMG-SFHVURJKSA-N 470.599 1.514 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1588034101 BBLQXTWGZREBDV-PXNSSMCTSA-N 472.571 1.822 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCCCC2)CC1 1588769672 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JQNJRWRGQGCDFZ-JPYJTQIMSA-N 473.599 1.643 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1689977885 GFTXSZDFORVBHD-GOSISDBHSA-N 488.589 1.394 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1689978589 ZSDLNVUYONIHBV-LLGFUMIMSA-N 451.593 1.391 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccnc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1689986044 HMUHWSSHIYHDQR-GOSISDBHSA-N 470.555 1.368 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1OCC=C)[C@@H]1CCS(=O)(=O)C1 1689988895 YGJSZQWPISXGRC-MOPGFXCFSA-N 469.567 1.469 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNC(=O)C1CCC1 1690017669 IZZONCVCXVYLIR-UHFFFAOYSA-N 460.586 1.831 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccn(C)n1 1690034978 XYZRDAXDOWOUSK-UHFFFAOYSA-N 450.572 1.791 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1690142545 QBRRJLNXMAUKPQ-UHFFFAOYSA-N 481.582 1.129 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1690142872 WKIBQODLMWCODX-GOSISDBHSA-N 488.589 1.474 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1690236416 MKVISTQQPJYKLQ-IEBWSBKVSA-N 482.651 1.648 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)NCC)CC1 1690667242 WLTKAFSJAWVERE-UHFFFAOYSA-N 476.379 1.861 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCOC1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1705558882 KRRNEBIRKUAURE-GOSISDBHSA-N 465.620 1.782 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(CS(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1705562658 HJKHTGNOBJALAC-LJQANCHMSA-N 487.607 1.268 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1oc(CCC)nc1C)[C@H]1CCS(=O)(=O)C1 1705565727 JXLDFSVUZUCEDE-IRXDYDNUSA-N 495.627 1.104 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1705565856 XCUNJXJWKPJFGJ-MRXNPFEDSA-N 455.544 1.240 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1705568442 NPSGNGDRPRLOJY-HXUWFJFHSA-N 492.561 1.807 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCCC2(C)C)n1 1705630629 ARWGHZCNJBZUDH-RUZDIDTESA-N 483.617 1.938 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1705634990 OEAWZAOLEIXKGJ-QHCPKHFHSA-N 473.599 1.137 30 10 JDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705662502 ALWTUNJQRPOOPB-LJQANCHMSA-N 453.572 1.224 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)c1cccc(C)c1 1705716811 VYMZGADMULGAFZ-HXUWFJFHSA-N 490.630 1.752 30 10 JDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1705738955 PXWYXFDUGPEKFQ-UHFFFAOYSA-N 467.618 1.991 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705899432 SGXVGDZQXYGAKL-AWEZNQCLSA-N 497.419 1.480 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2C)C1 1705904035 CJATZCFCXGWPDQ-QUCCMNQESA-N 488.614 1.216 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1705937027 FXEXWBIVYBWOFO-UHFFFAOYSA-N 495.609 1.290 30 10 JDEE CCC(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1708693394 AIFXVTRYEWTGKI-AQNXPRMDSA-N 480.635 1.046 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1722359014 HYQLRJQFVRWZDN-FOIQADDNSA-N 468.938 1.516 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(COC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1722360829 CCXZCWUNJFVKRN-NRFANRHFSA-N 483.594 1.887 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1722366736 KGWNXPDQPQGPTI-WMZOPIPTSA-N 483.015 1.509 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722377910 JFPQUQOFDXSTJZ-FQEVSTJZSA-N 462.554 1.689 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1722387430 MCRASWMLZDWIIQ-QHCPKHFHSA-N 460.582 1.878 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CCC 1722421513 NQLKLMPVLQYOFG-NFBKMPQASA-N 493.605 1.941 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNc1nccc(C(F)(F)F)n1 1722426613 KYFIYSLVLQBTLB-AWEZNQCLSA-N 487.508 1.187 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2cccc(C(F)(F)F)n2)CC1 1722430170 ZPMRHSRTZOPWIJ-UHFFFAOYSA-N 465.480 1.664 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCC(=O)N(CC)CC)CC1 1722447666 LNZFEYJBDKFSBS-HXUWFJFHSA-N 458.607 1.787 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1722532058 AUWPCXKCMCAVII-HBMCJLEFSA-N 487.649 1.448 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1722692834 YJJJYXQPHHWSCA-FTDQSSOUSA-N 458.588 1.751 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCNC(=O)[C@@H]1CC 1722694571 AAGKBLMIBGPRGA-HNNXBMFYSA-N 477.363 1.733 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCCC(C)(C)C)CC2)c1C#N 1725860414 ALDGNCPYFLAULS-QGZVFWFLSA-N 491.666 1.955 30 10 JDEE CCN(CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1728369956 BCLNAKVKGQVVAD-LJQANCHMSA-N 489.646 1.931 30 10 JDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1729616495 FUZOXZLPTRODMR-UHFFFAOYSA-N 479.585 1.996 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCO[C@H](C)C2)CC1=O 1730798870 GWADEHQUBIYVJI-QUCCMNQESA-N 468.558 1.839 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC)C1 1740589728 AUUPAUZDTFWJNG-MSOLQXFVSA-N 460.579 1.962 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(OCC)c1 1740610680 IUHACGYIPSKNMR-LJQANCHMSA-N 463.560 1.136 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCOC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1740628694 ZOYVDIQXTUJQKN-AQNXPRMDSA-N 466.604 1.732 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(CC)cc1)N(C)C 1740640610 RBHBZLWPQJXSND-XZOQPEGZSA-N 498.653 1.549 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CCOCC1 1740687519 HLMJZYXMZGQFAX-HDICACEKSA-N 463.579 1.676 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCSC2)n1 1740689204 RHCHTKYACIFNIU-QZTJIDSGSA-N 478.644 1.416 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCn2ccnc2C)CC1 1740698799 WKDZQIWZKXEAEJ-UHFFFAOYSA-N 496.641 1.546 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@H]1CC 1740717153 LBMXQYAHQPQYMR-IAGOWNOFSA-N 478.619 1.668 30 10 JDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C)CC1 1740737155 BATLQDRCNZOGFZ-UHFFFAOYSA-N 461.368 1.848 30 10 JDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740870734 URDDCZOZIIJIEX-UHFFFAOYSA-N 488.614 1.889 30 10 JDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(S(C)(=O)=O)cc1)C1CC1 1740907370 WVPRNZBNELROOJ-AWEZNQCLSA-N 453.590 1.495 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(C)CN(C)C1=O 1740919752 QTFHTVOATYNODN-VFNWGFHPSA-N 464.567 1.698 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740959151 LQIXZWWNMOIQLY-AWEZNQCLSA-N 466.502 1.173 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1740961522 DMACYVDOHNSPBC-UHFFFAOYSA-N 463.502 1.196 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nc(C)cs2)C1 1740981130 NZSUXFGOMBQVML-HZPDHXFCSA-N 468.605 1.206 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccn1 1741130961 COJIHLRFLKCEEB-SJORKVTESA-N 461.592 1.580 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)CCC)c1 1748692042 BZMFMOXLNKKMRD-FDDCHVKYSA-N 473.599 1.788 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(O)c2)CC1 1748717667 FQCCQIFMBJLKRZ-OAQYLSRUSA-N 488.614 1.447 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 1748751063 BGENBBRSQXTRHU-QFIPXVFZSA-N 497.625 1.613 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1748808865 HGZUBHKMJUTTQC-INIZCTEOSA-N 459.963 1.710 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1748810383 VKIZMNUMAPSYID-UZUQRXQVSA-N 490.582 1.395 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1748815449 QMNNRSMHLLOOLX-MJGOQNOKSA-N 457.556 1.243 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccc(O)cc2)CC1 1749003342 GKCWQITVXAHYRC-RUZDIDTESA-N 467.570 1.844 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)N2CCOCC2)CC1 1749003847 XQPDLBPLXUAYDO-LJQANCHMSA-N 466.586 1.640 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCOc2ncccc2Cl)CC1 1749009373 QAXRBBDSOBSINU-UHFFFAOYSA-N 466.933 1.828 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCOCC(F)F)CC1 1749016662 KCIMNZBPQLVCCG-UHFFFAOYSA-N 471.512 1.764 30 10 JDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1749049979 UWZBWIGCRSFMQA-ZWKOTPCHSA-N 469.633 1.127 30 10 JDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCCCO 1749104697 YJPQHZODNAXBNL-CQSZACIVSA-N 466.402 1.118 30 10 JDEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749106651 HMXOTOJHOJSECH-UHFFFAOYSA-N 494.419 1.470 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1749597202 BHPFSURGZZFKFK-XMMPIXPASA-N 465.558 1.792 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(COC)CC1 1749666719 QSMNGXOMRRJETJ-UHFFFAOYSA-N 465.558 1.840 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1749669515 ILHWGEXHJIZITB-ULQDDVLXSA-N 475.594 1.661 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CCOC)C(=O)C1 1749726809 FRCAWQZSOAQKJS-UHFFFAOYSA-N 485.969 1.633 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2cccc(F)c2)CC1 1760117553 QGDXCXOQJFAADJ-APWZRJJASA-N 461.563 1.940 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1760186480 NUWCUCHVUULRPB-DENIHFKCSA-N 478.018 1.216 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1760188968 DWWIHGQRRNGAPV-IBGZPJMESA-N 473.599 1.419 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ncc(C)s1 1760205973 OHTGDYMCPXYPHS-NVXWUHKLSA-N 462.601 1.252 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)c(F)c1 1760219799 OILYGGDMUCRGHR-HXUWFJFHSA-N 477.537 1.595 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC[C@H](O)C2)n1 1760251970 ILFUILRMIMSIPS-CTNGQTDRSA-N 469.590 1.548 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1760266872 PQMVVCWRHFXMJV-UHFFFAOYSA-N 496.593 1.769 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(C(=O)NC)c2)CC1 1760273510 WWYJNPPWVOFJRO-VXKWHMMOSA-N 494.596 1.376 30 10 JDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1760306375 GCKDYIZUZDNALM-ROUUACIJSA-N 499.454 1.744 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1760316383 QVMXTIJMLAAUTI-PIYAJUMWSA-N 453.609 1.467 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(S(C)(=O)=O)CC1 1760326104 UFMVGQAJASYECC-UZLBHIALSA-N 451.593 1.395 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1760346332 SZDLDAYNRLHJAL-FQEVSTJZSA-N 477.635 1.917 30 10 JDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(OCC(N)=O)CC1 1760436265 NMOABLTZIGWSAW-UHFFFAOYSA-N 461.592 1.675 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1760527819 JUBVJMBNIZRBIW-UZUQRXQVSA-N 457.531 1.552 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1760534299 VFUYIRLGHOBAAM-MRXNPFEDSA-N 464.567 1.491 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1Cc2ccccc2C1 1760549134 XAMQQPDRHBVAON-HNNXBMFYSA-N 467.617 1.093 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)nnc1C(C)(C)C 1760558631 VPGILFZCPRQPPU-KRWDZBQOSA-N 452.625 1.759 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(Cl)cc2F)C1 1770347355 AOVFYVOAHXXYDR-APWZRJJASA-N 486.932 1.894 30 10 JDEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4CCCCO4)n3CC(=O)NCC(F)(F)F)CC2)c1 1770740409 GINXHKNRDBSCTO-MRXNPFEDSA-N 478.479 1.791 30 10 JDEE N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(C(N)=O)CCCC2)CCO1 1770746392 DGKQLYOJFXNUIK-KRWDZBQOSA-N 471.949 1.636 30 10 JDEE C#CCOc1cn(CCCO)c(CNc2ccc(C(=O)NCCN(CC)CC)cc2)cc1=O 1871006195 UDABIKDXYSSLFX-UHFFFAOYSA-N 454.571 1.926 30 10 JDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cc(OC)c(OC)cc1OC 1874432443 GLFPKDNEKPZEDV-AUEPDCJTSA-N 464.548 1.441 30 10 JDEE N#CCNC(=O)CS(=O)(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990657229 FUYWTJHIXMSAHL-LJQANCHMSA-N 471.491 1.033 30 10 JDEE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)N2CC(C#N)C2)CCN(Cc2ccccc2)CC1 2067207330 NCKJKKUEKMPYLZ-UHFFFAOYSA-N 463.604 1.836 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@H]2NC(=O)OCc2ccccc2)n1 2247838062 CBRCBBVKLBQUEH-QZTJIDSGSA-N 454.336 1.907 30 10 JDEE CN(CCN(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)OCc1ccccc1 2255750834 QFWWJOHXRVZQNV-UHFFFAOYSA-N 492.407 1.608 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC(C)(C)NC(=O)OC(C)(C)C 2255941955 LNGGCURSNRJLEI-UHFFFAOYSA-N 458.390 1.301 30 10 JDEE CN(C(=O)OC(C)(C)C)[C@@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCOC1 2256617028 FZRHIBNDEWWPEU-IBGZPJMESA-N 454.358 1.224 30 10 JDEE CN(C)CCN(CCNC(=O)OC(C)(C)C)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2267535922 DMQYFLGQTHDWHT-UHFFFAOYSA-N 468.429 1.971 30 10 JDEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NC(CO)(CO)CNC(=O)OC(C)(C)C 2267575663 IRFRDUCXODIUBM-UHFFFAOYSA-N 470.397 1.334 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268648796 DPJWNWZVUXQQBP-UKRRQHHQSA-N 451.304 1.829 30 10 JDEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)sn1)CCO2 2272920351 OPGRZMHWWTXPEG-UHFFFAOYSA-N 465.381 1.904 30 10 JDEE COc1cc(C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2281988455 MNTKZNABGXKTHP-HSZRJFAPSA-N 464.368 2.000 30 10 JDEE Cc1c(C(=O)NCC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281990286 LDJZGDGGYSMINT-HOTGVXAUSA-N 460.384 1.870 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@@]1(=O)CC[C@H](NC(=O)OC(C)(C)C)C1 2282004890 MKKBLZBHYPAMLW-RPLXOIEJSA-N 482.412 1.933 30 10 JDEE CC1(C)OB(c2cnc(C(=O)NC[C@H]3CNCCN3Cc3ccccc3)c(F)c2)OC1(C)C 2282038725 LUOSZRWODMCFQX-LJQANCHMSA-N 454.355 1.724 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2282182169 PHIGQNOMTZROIN-DLBZAZTESA-N 459.352 1.841 30 10 JDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2282189152 GHUGLQVJAXNUDO-QFIPXVFZSA-N 461.324 1.575 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2282521204 WHWCQWAUYDJURE-RANZSIQMSA-N 459.352 1.791 30 10 JDEE Cc1c(C(=O)N2C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554088 YIPLHZVOBZUFMB-YPMHNXCESA-N 458.290 1.557 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(C(=O)O)CN(C(=O)OC(C)(C)C)C1 2282592580 FKPQXCMPDQLMFF-UHFFFAOYSA-N 464.328 1.006 30 10 JDEE CC(C)(C)OC(=O)NC1CC(O)(CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282868651 QMDMNTAMBGDRBU-UHFFFAOYSA-N 483.396 1.077 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)OCC12CC2 2284045760 QUOUIFSEJVJIPP-ZDUSSCGKSA-N 480.396 1.756 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@H]1C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2334388565 ADAUQBIEFQDOSZ-IXDOHACOSA-N 452.357 1.508 30 10 JDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)Nc2ccc(N(C)C)cc2)n[nH]1 59888000 QFLSGDCPRXPFBI-SRZZPIQSSA-N 457.564 1.853 30 10 JDEE CC(=O)OC[C@H]1O[C@@H](O[C@H](C#N)c2ccccc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 97975812 QTSUMWNLKZZILY-OVQJPPBNSA-N 463.439 1.351 30 10 JDEE COc1cc([C@H]2/C(=C(/O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)ccc1O 103124632 AONDXXAPSVGAPJ-HQMFNGAOSA-N 458.423 1.740 30 10 JDEE COc1ccc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@@H](O)COc2ccccc2C)cc1 254735607 NLBSMPGUMUHSFY-GOSISDBHSA-N 492.536 1.637 30 10 JDEE CCCCCC(=O)NC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 498657995 BATAOILZDZCIJU-UHFFFAOYSA-N 489.642 1.552 30 10 JDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CCN3C(=O)c4ccccc4C3=O)cc21 586309098 QOFPZCOARBDLRN-YTTGMZPUSA-N 452.488 1.826 30 10 JDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN(CCN2CCOCC2)Cc2ccco2)CC1 1171168162 AIOSBDMNJVRFDQ-OAQYLSRUSA-N 457.600 1.884 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2CC)CC1 1217332327 HLXQFEXMMHWABN-UHFFFAOYSA-N 450.952 1.705 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC(=O)N(C)CC)c1 1286309385 RLYNLPBTUZRKKC-UHFFFAOYSA-N 451.531 1.049 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1286325159 WIFZSNCXDJLEHU-AEFFLSMTSA-N 461.592 1.558 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCCN2CCOCC2)CC1 1286474868 SLCGBFBSCTVHLK-UHFFFAOYSA-N 468.602 1.830 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCS(C)(=O)=O)CC1 1286493976 YFCBACWIJQYICL-UHFFFAOYSA-N 459.572 1.176 30 10 JDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286538571 QLTRBIICSVGYCG-KRWDZBQOSA-N 467.412 1.825 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)C1 1286557577 WHRJUKKHFFVWDF-BZSNNMDCSA-N 469.608 1.207 30 10 JDEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1286650252 ZVRCYSCRBKDZAY-UHFFFAOYSA-N 457.556 1.825 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CC1 1286741237 DYPJKTOGAGGWTD-IBGZPJMESA-N 489.623 1.822 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286783994 SOFLVYVMZHNTQW-AWEZNQCLSA-N 467.983 1.061 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(C(N)=O)CCOCC2)C1 1286802474 BKRUEPINXMCBFR-JPYJTQIMSA-N 463.579 1.382 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1286815000 YRRJBAHGRBONMV-DLBZAZTESA-N 498.650 1.757 30 10 JDEE CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CC1 1293766234 HJKDYUCEUYSGCI-UHFFFAOYSA-N 479.585 1.951 30 10 JDEE CCCOc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)cn1 1294968187 IDVQDWOMGXSTIN-NRFANRHFSA-N 491.552 1.912 30 10 JDEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1299348538 BACYLIVOUHDPBT-UQNRQAKVSA-N 455.515 1.658 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CCCN2CCCO)c1 1300332903 QOYWOUBKJPVOLW-NRFANRHFSA-N 474.569 1.638 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300489066 ZXJGNBBZRJUQRX-MOPGFXCFSA-N 473.599 1.301 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1ccc(C(N)=O)nc1)[C@H]1CCS(=O)(=O)C1 1300500839 DXTMBBDZMRINQM-IBGZPJMESA-N 494.577 1.069 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CCS(=O)(=O)NC(C)C 1300648437 OKLPYRCJOUBIMQ-UHFFFAOYSA-N 457.535 1.842 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2CCN(CCN(C)C)CC2)CC1 1300691279 SDKWSRPAOPXEQX-UHFFFAOYSA-N 495.672 1.991 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1300710517 DPDQQCSTNMCOPN-PMACEKPBSA-N 456.591 1.541 30 10 JDEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301000820 YYODFAGKKFGHKW-SFHVURJKSA-N 470.599 1.619 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1301222772 FRZBUGYAWLTPJI-RTBURBONSA-N 463.608 1.924 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(C)c1 1301425866 ZIYLRMIQUHVYOK-IBGZPJMESA-N 467.567 1.746 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1301492621 LOKLJXQMDVSKKT-IBGZPJMESA-N 484.557 1.092 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1303411158 HYZZAFULEWVGEA-SFTDATJTSA-N 467.574 1.436 30 10 JDEE CN(C[C@@H]1CCCOC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1314805208 AJOSBMSPYUZRGL-MOPGFXCFSA-N 458.588 1.961 30 10 JDEE CS(=O)(=O)C1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1316333700 DYXDYXUOLYPEPQ-INIZCTEOSA-N 478.962 1.167 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1358875751 VGPXWWRXMIHDIR-JTSKRJEESA-N 462.572 1.871 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCc2n[nH]c(C)n2)c1 1358902863 BVARLAYUEONBOP-UHFFFAOYSA-N 455.526 1.989 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccccc2CO)CC1 1358930381 UJZUJQXPQADFOO-JOCHJYFZSA-N 487.626 1.901 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCN1CCC[C@@H]1CO)[C@@H]1CCS(=O)(=O)C1 1358964281 WTXWJGSWBPBJAK-NJDAHSKKSA-N 479.647 1.036 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc([C@@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1358964645 CSCXFSIQJSEWAD-GCJKJVERSA-N 465.579 1.992 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2(SC)CCOCC2)CC1 1359047060 PJWJUDOJYLPHKV-UHFFFAOYSA-N 474.631 1.279 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1359057401 YTOBYHMZTDLJNV-DOTOQJQBSA-N 497.668 1.391 30 10 JDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1 1359131107 IAYDWQJCVLQDTJ-QHCPKHFHSA-N 451.531 1.486 30 10 JDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1359131585 YOXGJPABQOPJHW-MRXNPFEDSA-N 451.531 1.452 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1359216640 ZPBDXBFIPHEKIB-IBGZPJMESA-N 497.643 1.617 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1359296487 KZIFCXVVASROMV-UHFFFAOYSA-N 458.526 1.849 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(N2CCCNC2=O)CC1 1359332228 SMRBJQOVWHFBFQ-QGZVFWFLSA-N 466.608 1.157 30 10 JDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(CS(C)(=O)=O)CC1 1503236882 DDDUVXFYXBQBHK-INIZCTEOSA-N 479.628 1.901 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CC(=O)N(CCOC)C1 1507528953 PREOOHPAHHVOQV-IAGOWNOFSA-N 473.603 1.191 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507634804 NCJNNGFCNRSFFU-INIZCTEOSA-N 457.478 1.817 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc([C@@H](C)OC)n1 1507689732 MLYIZWSWBUUXSB-GDBMZVCRSA-N 468.605 1.283 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(OC)ccc2OC)CC1 1507716694 SZLOODSYTBMPMZ-UHFFFAOYSA-N 461.526 1.746 30 10 JDEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCS(=O)(=O)NC(C)C)CC1 1507719002 JQHGUWDZXBUSER-OAQYLSRUSA-N 458.632 1.903 30 10 JDEE C=C(Br)Cn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@]1(OCC)CCOC1 1507791941 UBDORAFPZQSZEY-ROUUACIJSA-N 456.341 1.870 30 10 JDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1507830469 ASASJCMEQIETBH-HZPDHXFCSA-N 455.581 1.786 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCNC(=O)CC1 1508135146 DZTLTVZFIKCSAE-UHFFFAOYSA-N 463.560 1.280 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1508163691 XBIOVWIWVJYUIQ-SJLPKXTDSA-N 498.675 1.025 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(-n2cncn2)nc1 1513354273 AUWBKUBAEQSLAM-NRFANRHFSA-N 452.498 1.662 30 10 JDEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)N1CCOCC1 1517352495 GQVAECHUDKPDAO-UHFFFAOYSA-N 476.603 1.320 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=O)NC(C)C)c1 1539039773 HLVWUYLEPBADGT-RUZDIDTESA-N 482.585 1.900 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1539120738 ZJQTYXFCZCFSRJ-HXUWFJFHSA-N 462.664 1.588 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1CC1CCS(=O)(=O)CC1)[C@H]1CCS(=O)(=O)C1 1539219471 CPOVMWFMDHOROC-SFHVURJKSA-N 454.618 1.387 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCc2ccccc21 1539265023 CDZRHXUYRPWAOL-UGKGYDQZSA-N 482.610 1.135 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1539421774 XXGZEJWRVCTUTF-AZUAARDMSA-N 492.671 1.924 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2Cc2cc(C)nn2C)n1 1539423991 JASKZPDOYMNLGE-IBGZPJMESA-N 452.563 1.745 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1539428529 SUHVWRNTGMOTMR-VQTJNVASSA-N 485.633 1.915 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccn(C)n2)CC1 1539452122 LMOGWOGVHHYFRN-IBGZPJMESA-N 470.578 1.124 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1539476973 ILSUMLJVKCFTTA-OALUTQOASA-N 466.590 1.200 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1540862048 PMJKBAIANGTKBI-HZPDHXFCSA-N 461.567 1.166 30 10 JDEE C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CCN(C(=O)CN3CCOCC3)CC2)cc1 1540876870 DSYKIAGIMSGXBQ-UHFFFAOYSA-N 468.602 1.995 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCS(=O)(=O)N(C)C)C1 1540889478 NIXXVVRAEBGKHN-FQEVSTJZSA-N 471.587 1.804 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](COC)O[C@H](C)C1 1540902075 ZUQRUIGNUZSFCV-CVEARBPZSA-N 488.570 1.435 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2Cc2nccn2C(F)F)C1 1555812745 HWUJRUKFAYGFTO-OAHLLOKOSA-N 484.533 1.381 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cn2c(C)c(Br)c3ccccc32)CC1 1558073711 XZOGMJDZMSLNFF-UHFFFAOYSA-N 453.362 1.324 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC2CCCC2)CC1 1587861303 JTGXLJGWVLKODH-HXUWFJFHSA-N 465.620 1.952 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(O)CCCCCC1)[C@H]1CCS(=O)(=O)C1 1588035924 ZMCRPPKNDLTMGQ-WMZHIEFXSA-N 480.631 1.642 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588075142 YXTVKFXNYKMHBM-KSZLIROESA-N 454.593 1.444 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)cc(C(F)(F)F)c2)CC1 1588199526 SKKSRJMQFRWLCV-UHFFFAOYSA-N 454.268 1.693 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CC1(C(N)=O)CCOCC1 1588254104 QSGIUYFNZUPAIM-UHFFFAOYSA-N 451.527 1.611 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCCC)c(OC)c2)CC1 1588811651 LOOWHXURMBMNBZ-FQEVSTJZSA-N 487.626 1.781 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1589544408 GUULMQZXPFGBRA-UTKZUKDTSA-N 486.621 1.315 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccccc2F)C1 1593696604 UFGQXDYRHNHNMX-IIBYNOLFSA-N 467.567 1.718 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1594626904 QEJFVLYUZMOWDA-MANSERQUSA-N 453.609 1.686 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1595562029 LRWCIMMILSFZAR-MRXNPFEDSA-N 476.507 1.892 30 10 JDEE CC(C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1598136263 BSWWCFOHODRTEO-MOPGFXCFSA-N 451.531 1.451 30 10 JDEE CC(C)NC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccccc2C#N)CC1 1610111506 ICSVBWGTIKBTEI-UHFFFAOYSA-N 492.609 1.992 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CC1 1610129606 CXFZHPGAYPUWST-UHFFFAOYSA-N 481.601 1.395 30 10 JDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)N1CCOCC1 1611600595 BLFGEGXMPAXSQD-RXVVDRJESA-N 488.614 1.463 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCC(OC)CC1 1689852676 IZVYHCWHFADHAV-MKCYZYCBSA-N 453.609 1.664 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1689916355 HXUTZBMFDOVBRU-LJQANCHMSA-N 470.599 1.810 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1689930501 SLDLTNUFNTUVOU-QGZVFWFLSA-N 477.591 1.274 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1689980254 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C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCC3(C2)OCCO3)CC1 1705645586 YELVOFHPNNWWHQ-OALUTQOASA-N 475.590 1.511 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCNC(C)=O)CC1 1705651291 QTBDMLAERJXNOV-UHFFFAOYSA-N 466.586 1.966 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1705687680 HWAQDNVENOHFFW-VBQJREDUSA-N 461.382 1.473 30 10 JDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1705729400 WPHMYJFSJYEKTM-SJORKVTESA-N 458.567 1.513 30 10 JDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@]2(CN(Cc3ccccc3)CCO2)C1 1705887320 YPSLMFLBHMGGQW-WMZHIEFXSA-N 474.631 1.946 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NCCCC)CC1 1705901291 HVZOOIJMMIQTDE-UHFFFAOYSA-N 471.562 1.441 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC(=O)N(C)C[C@H]2C)cc1 1705911718 OKDUQDNMVMQCOL-AEFFLSMTSA-N 459.572 1.460 30 10 JDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCNC(=O)Cc1cccc(F)c1 1710730968 AMNBGFKGYBNTEC-UHFFFAOYSA-N 492.559 1.906 30 10 JDEE 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C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1722700754 SQSHPIAOOCKUNN-UHFFFAOYSA-N 477.573 1.390 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCSC[C@H]1C 1722701262 LAJBMQPKGRHMIW-HXUWFJFHSA-N 469.659 1.887 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1722702675 OYOZBWMUVRHYOQ-LNLFQRSKSA-N 475.619 1.644 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722724363 UZIATSXCVRYJHI-MAUKXSAKSA-N 481.550 1.109 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1722727653 OEOQBOYAJHLHKY-TWOQFEAHSA-N 450.565 1.052 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H]1CCSC1 1722729073 WOOKZKVQPMYZIR-SFHVURJKSA-N 477.660 1.995 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=O)NCC(F)(F)F)C1 1724002002 DSFVIRCBEPYOMN-LJQANCHMSA-N 474.451 1.729 30 10 JDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCNC(=O)c1cccs1 1727602653 FRXSZQACRKKITC-UHFFFAOYSA-N 453.576 1.572 30 10 JDEE 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30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc([C@H](C)O)cc1 1740732117 RQXCWFWXNJHYCW-KPDCDPCYSA-N 473.599 1.705 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1740743394 VHSUZETZWVNXEO-ILXRZTDVSA-N 469.384 1.505 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(F)(F)F)C1 1740877222 VBKLDBDRCZXMIJ-KBPBESRZSA-N 453.487 1.345 30 10 JDEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)N1CCOCC1 1740897728 SABJDMUHQQGQHM-UHFFFAOYSA-N 451.531 1.546 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1740986498 ZEPJDDDBSMJHOW-HTAPYJJXSA-N 490.586 1.301 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cnn(-c2ccccc2)c1 1741130751 BIXACJRXAFWTHD-NQIIRXRSSA-N 498.613 1.635 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1748699434 OYJASLYFCDVZBP-GOSISDBHSA-N 460.608 1.425 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)c1ccc(OC)cc1 1748790856 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CC(C)(C)OC(=O)NC1(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCOCC1 2282182539 TWTLAYSVHBHLIE-UHFFFAOYSA-N 462.356 1.580 30 10 JDEE CCC1(CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN(C(=O)OC(C)(C)C)C1 2282325739 JBWWKTUBZJSYBD-UHFFFAOYSA-N 485.416 1.040 30 10 JDEE CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282331391 MTZJPLNTGIUEGN-NRFANRHFSA-N 486.444 1.937 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)OCC1(C)C 2282580820 YTCMPPTUKSOMQV-AWEZNQCLSA-N 464.372 1.853 30 10 JDEE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282846835 PPTGWGVXZJQBIM-UHFFFAOYSA-N 477.440 1.647 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2282850441 OXQSQLPODWVMNI-GJZGRUSLSA-N 482.412 1.492 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1COCCN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282863212 OPHDEZKHRJERKG-MRXNPFEDSA-N 482.408 1.900 30 10 JDEE CC(C)(C)OC(=O)NCC1CN(CC(=O)N=c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)[nH]2)C1 2284063707 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1.648 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)C(=O)NC)c1 1286310964 BFCHPNXAVKIZLK-UHFFFAOYSA-N 476.585 1.968 30 10 JDEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1286343508 KKCNWZZYIXDXJQ-IBGZPJMESA-N 473.599 1.998 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CCNS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286385785 PERAAUUDILZYND-KRWDZBQOSA-N 479.628 1.181 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCO[C@@H]1CCOC1 1286400770 KSKHLZHOVUILSV-LJQANCHMSA-N 470.599 1.815 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1286426269 PVJLFHMUJNHZJB-LJQANCHMSA-N 492.605 1.963 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC(F)(F)CO2)CC1 1286482055 ZGNKQUREENMHAM-ZWKOTPCHSA-N 496.559 1.766 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2cccs2)CC1 1286485643 SHXFJFLYMILJML-HSZRJFAPSA-N 470.599 1.449 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1286485817 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1286810747 VHCRPKNWMLGHEK-SJORKVTESA-N 459.638 1.534 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(CC)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286825515 RSIWDUSQPNZOKN-GHTZIAJQSA-N 455.625 1.450 30 10 JDEE C=CCSCCn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1286835006 MTVDEDOCJGIKBY-HTAPYJJXSA-N 478.619 1.616 30 10 JDEE CCN1CCN(CCCn2c(CN3CCCC3=O)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1296210788 HYXODCHHFTXJBC-UHFFFAOYSA-N 464.618 1.936 30 10 JDEE CN(C)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CCOCC1 1298041508 DFJIKBKZOANINA-HXUWFJFHSA-N 472.615 1.941 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1F 1300308801 QFBALZRWTKAQSC-SUMWQHHRSA-N 455.943 1.910 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1300483325 KQZMUSSOFRQPKW-HTAPYJJXSA-N 462.572 1.750 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1300490720 CGBPDIMRBGXKFI-INIZCTEOSA-N 457.585 1.678 30 10 JDEE 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C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1705930939 ZPYVHNBGMYPKFG-ROUUACIJSA-N 479.990 1.830 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(F)c1 1706798578 FQWKFEKOAOZBFE-FRQCXROJSA-N 480.566 1.956 30 10 JDEE CO[C@@H]1COCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1712095547 ABWJYAHKVXWXAD-NLWGTHIKSA-N 454.579 1.905 30 10 JDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C1 1712689943 BANHUDIAYFLCQD-HXUWFJFHSA-N 489.598 1.674 30 10 JDEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722354925 BWQRHYALCSXQFN-OAHLLOKOSA-N 482.404 1.971 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(OC)OC)c1)[C@@H]1CCS(=O)(=O)C1 1722360084 CSVSNCVHRSNBBE-HXUWFJFHSA-N 484.582 1.645 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1722362937 PGNURDJXHHKXMH-SFHVURJKSA-N 498.609 1.988 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722364096 XEFSAQPZMABGPS-KRWDZBQOSA-N 492.001 1.474 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1722368198 ZMIROEQRBSWIOX-AUSIDOKSSA-N 480.631 1.762 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1NC(=O)CC1(C)C 1722378182 BDMCIIZKIMEQGC-KRWDZBQOSA-N 453.572 1.226 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1722391526 OYNPQFROFFMPES-GHTZIAJQSA-N 469.508 1.656 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCc1ccco1 1722393643 GMDZMXFSAQRRCX-UHFFFAOYSA-N 469.505 1.564 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1722436684 KREHZKYTSRFSBP-WOJBJXKFSA-N 454.550 1.411 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1722449613 MUWJTTAWWHDYEO-FCHUYYIVSA-N 481.597 1.980 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC(=O)N(C)C2CCCCC2)CC1 1722450744 PZADGHBYWVNEKE-HXUWFJFHSA-N 456.591 1.887 30 10 JDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(NC(=O)COC)CC1 1722614249 HLTUYPGOABPPOQ-UHFFFAOYSA-N 475.619 1.936 30 10 JDEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1722614465 ODPLUHPSJAETEF-GOSISDBHSA-N 465.558 1.982 30 10 JDEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1722629918 PVYAEYBWMOUSBD-QZTJIDSGSA-N 494.593 1.130 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)N(C)CC)C1 1722719183 RKDKCRQIWLBDHL-ROUUACIJSA-N 478.594 1.846 30 10 JDEE Cc1nn(Cc2ccccc2)c(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1725884709 HEYKDHZDFDXPGY-XLIONFOSSA-N 498.613 1.527 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(C)cc1OC)[C@@H]1CCS(=O)(=O)C1 1740625722 SICHGBCUHYYBGH-LJQANCHMSA-N 471.583 1.393 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCCS1(=O)=O 1740631531 USVBGYZQXZADFQ-UHFFFAOYSA-N 451.350 1.144 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CC=CCC2)CC1 1740697382 BZKUVYIANOJTBM-UHFFFAOYSA-N 454.600 1.366 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCCN2CCC(O)CC2)CC1 1740707483 DJDFDISFHBDKOE-UHFFFAOYSA-N 498.603 1.809 30 10 JDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740750044 KRSRVADYPUMLEX-OAHLLOKOSA-N 462.352 1.859 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CC1(O)CCS(=O)(=O)CC1 1740934006 ODOFZFBJAZHMAI-UHFFFAOYSA-N 487.626 1.689 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1740952071 UBAWCPYJPHYOSW-HZPDHXFCSA-N 499.638 1.026 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1740957681 XGLZBZOVCSELPI-UHFFFAOYSA-N 451.506 1.687 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1740964129 IRBOZVYXIJOTCH-QHCPKHFHSA-N 473.599 1.737 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2ccccc2)CC1 1740985158 CPUNGBNSFGIOEC-UHFFFAOYSA-N 472.615 1.832 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1740993832 DOQDLLGIVJNPGE-SFHVURJKSA-N 461.588 1.742 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCn1cc(Br)cn1 1741918482 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CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1750995152 HSCPACLHBQIDQZ-SFHVURJKSA-N 466.546 1.294 30 10 JDEE Cc1ccc(C(=O)NCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)cc1F 1751442332 ASVBKHSUNFTRSC-RDJZCZTQSA-N 462.551 1.796 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(N2CCCC2=O)c1 1760116121 FLBSFYQKTJEQKC-PXNSSMCTSA-N 486.598 1.244 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCSc1nccs1)[C@H]1CCS(=O)(=O)C1 1760187969 MIWREFMEDPRVGA-GJZGRUSLSA-N 480.641 1.495 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760192510 JLJVIDBSYYHHGM-ZWKOTPCHSA-N 483.635 1.944 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1OC 1760219518 GQMGXXMPOYDTAW-OAQYLSRUSA-N 487.582 1.139 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCNC(=O)c2cc[nH]n2)CC1 1760256797 SVZKZXPGORPKNX-UHFFFAOYSA-N 468.949 1.515 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2nnc(C)s2)CC1 1760265505 CRLXFQALOVHKAX-QFIPXVFZSA-N 473.603 1.493 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CCN(CC)CC2)CC1 1760389330 INSHWFVINMRQLI-FQEVSTJZSA-N 466.652 1.889 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1CC(=O)N1CCOCC1 1760478984 YSTRGZIDUZHNTG-UHFFFAOYSA-N 451.531 1.339 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1760510370 VLBFENYBFHDSRB-ADKRDUOOSA-N 453.590 1.171 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCNC(=O)[C@@H]1CC 1760551153 VIMRBVNDBXBVQQ-IBGZPJMESA-N 469.571 1.651 30 10 JDEE CCC(O)(CC)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1762412257 BPKRLPREEXITJN-KRWDZBQOSA-N 455.567 1.021 30 10 JDEE CCCNC(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1764544764 HVYCJAHDFRXJLP-KRWDZBQOSA-N 460.546 1.633 30 10 JDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1766730379 GLLZPMGLPVOBFV-UZLBHIALSA-N 474.587 1.672 30 10 JDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1766993735 CPJYTOGBHVDLLH-KRWDZBQOSA-N 490.586 1.877 30 10 JDEE CCOc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCNS(C)(=O)=O 1767627570 BZOHKLAKXABBDI-LJQANCHMSA-N 452.512 1.247 30 10 JDEE O=C(NCCN1C(=O)CSC1=O)[C@@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1 1869932123 UYIAGEIUAQYFLK-KRWDZBQOSA-N 458.521 1.278 30 10 JDEE C=CCN(CC=C)c1nc(NC(=O)[C@@H](C)Oc2ccc(O)cc2)n([C@H]2CCS(=O)(=O)C2)n1 1870002842 WWGGGRRWBTUUFV-CVEARBPZSA-N 461.544 1.928 30 10 JDEE CN1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)CC1 1870156191 AFUXVNZVOROYKH-UHFFFAOYSA-N 477.441 1.959 30 10 JDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccc(OC)cc2)cn1CCNC(C)=O 1870649891 WOOZYFRRTLYXLB-UHFFFAOYSA-N 482.581 1.862 30 10 JDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874338207 SXWYYXZORYHGGY-GNZXAGPDSA-N 462.488 1.764 30 10 JDEE C=C(Br)CS(=O)(=O)NCC1(N2CCN(C(=O)OC(C)(C)C)CC2)COC1 1880967743 DSLOLXICNBCLJU-UHFFFAOYSA-N 454.387 1.136 30 10 JDEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)nn1 2206617265 QWBFSWKRHICQCT-INIZCTEOSA-N 458.328 1.714 30 10 JDEE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267483687 XCTJHWVEKJJMBT-OAQYLSRUSA-N 450.297 1.773 30 10 JDEE Cc1ccc(S(=O)(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267702224 CUFGWXLXWSOZSD-HNNXBMFYSA-N 470.397 1.458 30 10 JDEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@@]1(C)CNC(=O)OC(C)(C)C 2282175167 UTAOUHBPFFXSQS-RCDICMHDSA-N 463.388 1.737 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 2282323534 CHKAUVWDLSFKJR-UHFFFAOYSA-N 485.416 1.040 30 10 JDEE C[C@@H]1CCN(C(=O)c2nn(C)c(Cl)c2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2282545157 HVALTJSFNKSTCA-GHMZBOCLSA-N 478.708 1.902 30 10 JDEE CO[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)c(C)nn2C)C[C@H]1NC(=O)OC(C)(C)C 2282559425 JEHCZCQFRNAIMB-CABCVRRESA-N 464.372 1.392 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)n1 2282617035 CSQMGFQDMGKMKC-AWEZNQCLSA-N 463.388 1.880 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO 2282688521 VDFZKCRENBPRJA-NVXWUHKLSA-N 463.384 1.672 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 2282691179 GDOUBLXPTGQSTB-CEXWTWQISA-N 451.380 1.755 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2282854518 SLZFRMRJJYGMEA-CQSZACIVSA-N 484.428 1.643 30 10 JDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc([N+](=O)[O-])cc1 2330749895 AIKBXDNFRBTDCP-UHFFFAOYSA-N 457.472 1.706 30 10 JDEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2339942366 JHPFDWSRPQSVLV-AWEZNQCLSA-N 453.320 1.789 30 10 JDEE CC(C)c1ccc(/N=C2\N[C@H]3[C@@H](O)[C@H](O)C[C@H](C(=O)NCCN4CCOCC4)[C@H]3S2)cc1 20504132 IGUNCKSEFDEDGU-HGJUEJDCSA-N 462.616 1.061 30 10 JDEE biogenic COCCNC(=O)CN1CCN(/C(=N/c2ccc(C(=O)O)cc2)NCCc2ccccc2)CC1 21047162 WNRMATFCSKUKGN-UHFFFAOYSA-N 467.570 1.585 30 10 JDEE C=CCn1c(=O)c2ccc(C(=O)N[C@H](C)CC)cc2n2c(=O)n(CC(=O)N[C@@H](C)CC)nc12 64581549 IQAFMTXIYNEUNC-LSDHHAIUSA-N 454.531 1.440 30 10 JDEE CN(C)CCN1C(=O)C(=O)/C(=C(\O)c2ccc3c(c2)OCCO3)[C@@]12C(=O)N(C)c1ccccc12 102583784 SKSFWVBZSUXPIL-NJCFQMBCSA-N 463.490 1.572 30 10 JDEE C=C[C@H](O)C#CC#CC[C@@H]1O[C@@H]1CCCCC[C@@H](O)[C@@H](O)CNC(=O)/C=C/c1ccc(O)c(O)c1 257371706 XTBIGWUJSMQMKL-LZUUGMTHSA-N 483.561 1.611 30 10 JDEE biogenic COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C)c(C)c1 729671509 JPGAVBUHBCUDKJ-UHFFFAOYSA-N 487.585 1.819 30 10 JDEE CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)COC(=O)[C@@H](C)Oc3ccccc3C#N)CC2)c1 914679901 KIBIWLCZBRXGHH-GOSISDBHSA-N 499.545 1.604 30 10 JDEE C#CCN(CC#C)C(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1126437284 BOJNWLRHBIRCHX-UHFFFAOYSA-N 453.520 1.944 30 10 JDEE C=CCN(CC(=O)N(c1ccc(C)c(C)c1)[C@@H]1C=CS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1191682115 MCNYDZOBGQQKDT-VQTJNVASSA-N 452.598 1.622 30 10 JDEE C#CCN(C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1)[C@H]1CCS(=O)(=O)C1 1216287993 ZANIMYQXQWDKHV-INIZCTEOSA-N 451.526 1.412 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1286298146 GCGQFNRGANMINU-OPAMFIHVSA-N 481.619 1.400 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CCc2cn[nH]c2)c1 1286310396 YBSXYYDXENQOPH-XMMPIXPASA-N 463.542 1.952 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC1(C(N)=O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1286384853 JSDLTOXHZSLVOS-LEWJYISDSA-N 499.637 1.729 30 10 JDEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1286385326 WKOIJEIAMNPRSD-HNNXBMFYSA-N 495.483 1.997 30 10 JDEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1286389663 OFUAYBOQPNTUTR-NMEJYPJZSA-N 473.624 1.832 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccccc1 1286432097 XFZVXBALZFLPIL-SFTDATJTSA-N 471.583 1.462 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1286508582 IXKJADLQCIOCEW-CQSZACIVSA-N 483.557 1.569 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)CC1 1286556134 OBGADVCEFSCDHP-ULQDDVLXSA-N 475.562 1.828 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1286781103 OMXVCRLUIDQMBE-HSZRJFAPSA-N 467.530 1.480 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1286786578 UUWXXLPTQUSRAF-AEFFLSMTSA-N 451.531 1.021 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc2c(c1)OCO2 1286959056 DHJRRTSKTZTIEE-KGLIPLIRSA-N 450.521 1.292 30 10 JDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1297278600 BOGZQHRCIGYZLJ-GOSISDBHSA-N 473.603 1.294 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1300487961 NQFGJFQWXXBSAX-OAHLLOKOSA-N 459.482 1.743 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(OC)CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1300496095 NZWGBOVFZMZFFC-DBAFAGGRSA-N 498.671 1.402 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1300498460 KMVHUKAGSSYMKV-KRWDZBQOSA-N 471.004 1.194 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C 1300671434 IRBLJPRUOWWCBD-QGZVFWFLSA-N 453.590 1.115 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C(C)C)N2CCOCC2)CC1 1300703393 IJXPYLCSHLAXGZ-HSZRJFAPSA-N 466.630 1.990 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2([S@@](C)=O)CC2)CC1 1300730550 AJPNQECZVMQACJ-UUWRZZSWSA-N 485.610 1.743 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1300874482 MTISADUQENSUFO-FHJLPGHOSA-N 457.579 1.883 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1301222899 IXNVLKVGUTXGQA-FQEVSTJZSA-N 488.614 1.739 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1301493186 VUPSUWRIRWYFDM-AEFFLSMTSA-N 468.558 1.617 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(Br)cs1 1301499647 CXJMDIZSJIOJAY-LBPRGKRZSA-N 488.433 1.943 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1301508403 KBASEXVIZWYGII-KRWDZBQOSA-N 452.519 1.650 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1301514233 HDTJRNXIXRPZDZ-SFHVURJKSA-N 452.559 1.963 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ncc(F)cn2)CC1 1301520976 VYJZAJDBJUHGST-IEBWSBKVSA-N 472.569 1.755 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)O[C@@H](CC)C1 1301586138 QFKSKPLNQPUNDY-GJZGRUSLSA-N 451.549 1.610 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CCCOC1 1305785072 GWANTYKAAGKPJJ-QZTJIDSGSA-N 481.605 2.000 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNS(=O)(=O)Cc1ccon1 1358900986 XCBIDCPJZBPUJR-KBAYOESNSA-N 464.592 1.762 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1358913105 FVXJFNHPNWSYKX-QZTJIDSGSA-N 482.607 1.129 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1358959788 PQSAIOMACYXLIK-MBSDFSHPSA-N 490.582 1.395 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCCS(=O)(=O)C2)n1 1359027421 IYAUOYHIRKGCML-FQEVSTJZSA-N 497.625 1.956 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1359032653 XGARMUKWKSHREO-UHFFFAOYSA-N 486.001 1.639 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1359060065 IVGAQSCROHEOMB-NRFANRHFSA-N 484.674 1.639 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1359295850 PLYLYPTXUWECIW-UHFFFAOYSA-N 499.963 1.353 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](COC)C1 1359299156 XBDTZPPOQGVIDP-QGZVFWFLSA-N 465.558 1.840 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1359302336 CTOLOWNEPQFTLS-SFHVURJKSA-N 453.591 1.943 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(CO)CC1 1359303049 BWMULBWLCWYIDI-UHFFFAOYSA-N 467.618 1.154 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359330667 YRCZFEDCIGWICW-SFHVURJKSA-N 472.571 1.327 30 10 JDEE N#Cc1ccc(S(=O)(=O)NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1Cl 1464192675 HWGSZDXNZGGALQ-UHFFFAOYSA-N 453.973 1.921 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(Cc4nc([C@H](C)OCC)no4)CC3)cc2C1=O 1465566561 YGVOIOSIIKESCT-HNNXBMFYSA-N 453.499 1.907 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H](CC)OC 1497037244 GXGMOCSGPHTTDM-GOSISDBHSA-N 471.610 1.862 30 10 JDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1504853714 ACOXFNJVLURBRQ-NRFANRHFSA-N 451.575 1.986 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1507630185 UMHGFRQQJLUPHO-ZWKOTPCHSA-N 462.547 1.907 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507635005 OWPIZTCSHQHNEZ-LPHOPBHVSA-N 462.645 1.745 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1507635254 QOTRIEBHCUBWSW-SFNQZPIRSA-N 466.654 1.858 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccc(SC)cc1)[C@H]1CCS(=O)(=O)C1 1507638974 ICSQHHMLFAJARD-IBGZPJMESA-N 487.651 1.992 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 1507751835 RUKKYVPMXNOOIV-AOMKIAJQSA-N 478.619 1.655 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)N1CCN(c2ccccc2)CC1 1507812489 MNLYBYHDZCDWJL-IBGZPJMESA-N 489.646 1.640 30 10 JDEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507839404 QUTWJIYIVPEGIB-UHFFFAOYSA-N 470.574 1.720 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1508085279 GMFGMYZBWSZQQC-QFIPXVFZSA-N 451.619 1.696 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1508140886 QUJSYFYZWJPJBJ-UYAOXDASSA-N 478.663 1.573 30 10 JDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOCC1(C)C 1512386050 CWFDIQSJEMEKBB-GOSISDBHSA-N 467.574 1.506 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C2CC2)N(C)C)CCO1 1517543437 FPAVEXWBWXLFSV-PMACEKPBSA-N 453.547 1.020 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1539125382 LQQWLTJCTBLKSX-PKOBYXMFSA-N 492.577 1.606 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CC[S@](=O)CC)CC1 1539445895 JTXGWASOAOGGEE-UUWRZZSWSA-N 481.626 1.589 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1540858256 OISWPNGZSWAZHX-QRVBRYPASA-N 462.595 1.929 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1540865870 VFNPGQURFVRGBP-LJQANCHMSA-N 469.571 1.123 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1541806064 CYDRINKRNALXOL-IFXJQAMLSA-N 453.952 1.798 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCN(C)CC(F)(F)F 1541920631 BCZJSLLNGVLXRB-CYBMUJFWSA-N 451.519 1.512 30 10 JDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccn2C(F)F)CC1=O 1555581304 FQZIOGUUZYLBQZ-UHFFFAOYSA-N 456.457 1.752 30 10 JDEE C#CCN(C)CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1556827968 CILSUDKNLPCLDO-MRXNPFEDSA-N 456.406 1.921 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CCNC(=O)c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1588030493 WLBRBPCRHDVAGA-GOSISDBHSA-N 473.599 1.641 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1588059522 PGUNHXCIAJQFME-HNNXBMFYSA-N 475.525 1.443 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCSC1 1588099163 INVVRLFVRWFMJQ-NRFANRHFSA-N 459.597 1.136 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)c1cccc(O)c1 1588229313 TWJFNHXSEKRMMH-IBGZPJMESA-N 469.567 1.169 30 10 JDEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)N1CCSCC1 1588310150 RINLPEJTEPCWGU-UHFFFAOYSA-N 485.639 1.969 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC[C@H]1CC 1588386472 PLIBBMSVAJYMSH-MOPGFXCFSA-N 452.625 1.335 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1589060442 RXTMHRZBEAOFDT-IBGZPJMESA-N 452.584 1.948 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1589443742 XOUHSNRJAPEUGI-UHFFFAOYSA-N 491.350 1.939 30 10 JDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1593666600 KFWRUBJRZMSQSK-UHFFFAOYSA-N 459.576 1.420 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCCO2 1595218774 NMWJKDFZLPAJDK-FQEVSTJZSA-N 475.571 1.609 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1595602746 POJGAIVDFXAPGT-FPGHNAPASA-N 471.606 1.984 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(OCC(N)=O)CC1 1595773280 WODGMLRXGQJYNB-UHFFFAOYSA-N 485.969 1.809 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1595784115 CVONYARCOUWHIZ-NHCUHLMSSA-N 487.674 1.936 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 1595805814 VEXVYKFUYQDINU-SFHVURJKSA-N 494.618 1.927 30 10 JDEE CCCN1CCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1614889288 AVTHMIDSRCHOEY-OALUTQOASA-N 465.624 1.225 30 10 JDEE CCOC(=O)/C=c1/s/c(=C/c2ccc(C#N)cc2)c(=O)n1CC(=O)N[C@@H]1CCCC[C@H]1C 1615608471 BAERMROPSSGNMG-SQWRWUOPSA-N 453.564 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30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCN2CCOCC2(C)C)CC1 1705650596 UWVFYQXNOIKTIL-UHFFFAOYSA-N 465.602 1.341 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(OC)cc2OC)CC1 1705651360 UGTSAJOEYCGKJH-UHFFFAOYSA-N 494.596 1.626 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1705655035 BMNXDUQYNAEMSF-APWZRJJASA-N 463.629 1.769 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NCCOC)CC1 1705694808 TWGALZSWDOZGGM-RTBURBONSA-N 462.595 1.377 30 10 JDEE C=C(C)COCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705731010 QPQSXYGHAUEBMM-FUHWJXTLSA-N 472.521 1.297 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1705792058 LKYFKYBMPKQGER-RTBURBONSA-N 493.634 1.525 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCN1CCCS1(=O)=O 1705857735 KHCUEMFKIQEDNM-UHFFFAOYSA-N 483.598 1.614 30 10 JDEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705889544 FMZOWERBZUNCRQ-UHFFFAOYSA-N 492.584 1.424 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCCCC2)C1 1705925886 VQNDORRIMRZTHI-QZTJIDSGSA-N 451.593 1.364 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705931759 ZDMWUZOAMVJRNM-MRXNPFEDSA-N 495.403 1.522 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1705937282 PAQRLBYCWMJFEN-JXFKEZNVSA-N 452.602 1.915 30 10 JDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705942856 HFCYUDCEPSQMAR-UHFFFAOYSA-N 459.620 1.184 30 10 JDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1709138308 AFLCLEMBKAAFTD-KRWDZBQOSA-N 464.496 1.697 30 10 JDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCNS(=O)(=O)Cc1ccon1 1722353722 SOEMNKCYJMUNJZ-UHFFFAOYSA-N 467.511 1.777 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1722369834 HRVBUJUBPDXULG-GUDVDZBRSA-N 465.620 1.350 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c(F)cccc2SC)CC1 1722438348 WJVXRWQVGOPCIN-MRXNPFEDSA-N 463.604 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C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(C)cc2C)CC1 1300699540 FCQZHTVSPNQFSY-JOCHJYFZSA-N 486.642 1.226 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCS(=O)(=O)NC)CC1 1300707905 LPMJLGJDOPAIFT-UHFFFAOYSA-N 474.631 1.593 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCOC[C@H]2C)CC1 1300711215 TVSDLEAHPVTRRO-IEBWSBKVSA-N 458.607 1.835 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1300726304 MTYFNXRCNQVRFV-YADHBBJMSA-N 472.634 1.495 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCC(C)(C)C)CC1 1300952139 NHPBFKFJSITHOJ-SFHVURJKSA-N 454.641 1.745 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1301507069 VSFNKHHFECEIRO-UHFFFAOYSA-N 466.615 1.907 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC(N2CCNC2=O)CC1 1301509233 CZDHAPKSMJNOFB-UHFFFAOYSA-N 453.547 1.196 30 10 JDEE Cc1cnn([C@@H]2CCCN(c3nnc(COc4ccc(C#N)cc4)n3CCNS(C)(=O)=O)C2)c1 1304599829 ICKJRZZOEBXLGL-LJQANCHMSA-N 484.586 1.624 30 10 JDEE 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C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccs2)N(C)C)CC1 1539447914 YUHWZMJAKYJVPA-ROUUACIJSA-N 462.645 1.300 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)N(C)C 1539552473 QRKMASKLBZSGRL-HSZRJFAPSA-N 483.598 1.558 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1540021062 ZXUPRYPPYDXTBG-NRFANRHFSA-N 487.649 1.630 30 10 JDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1540853437 KRLNXFXZTHWGLJ-UHFFFAOYSA-N 457.922 1.568 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1540861756 FLWJSRUMVRWGHD-UHFFFAOYSA-N 465.558 1.087 30 10 JDEE C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)N1CCC[C@@H](C)C1 1544066054 BDAHLXCNZVHLHD-HBFSDRIKSA-N 479.651 1.471 30 10 JDEE COC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)OC 1555259541 ACUAZRQOVVKHLD-WOJBJXKFSA-N 454.531 1.511 30 10 JDEE C=CCn1c(S)nc2cc(C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)ccc2c1=O 1558932833 CZRPUNFAOIQBDN-UHFFFAOYSA-N 454.512 1.179 30 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1.720 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@]2(CCSC2)C1 1595497310 XJDMKAMNIBHCCX-QFIPXVFZSA-N 490.655 1.831 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1c(F)cccc1F 1595551803 VQHWNQAUVZRLLL-GOSISDBHSA-N 498.556 1.218 30 10 JDEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCN(S(C)(=O)=O)CC1 1595649621 SFIATYNLDGIKCT-UHFFFAOYSA-N 455.544 1.430 30 10 JDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)C)CC1 1613441529 FSNFYXZZSYSWQG-IBGZPJMESA-N 480.617 1.626 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1615938462 GYBULUQGEXYMSX-NHCUHLMSSA-N 494.644 1.574 30 10 JDEE C=C(C)CN1CCC(NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)CC1 1616322920 KFZKPBQBKZXFFK-FQEVSTJZSA-N 450.605 1.373 30 10 JDEE CC(C)(C#N)CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1621578293 CQESNECDSKEXAD-UHFFFAOYSA-N 450.380 1.635 30 10 JDEE Cn1ccc2ccc(NC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2c1=O 1624578952 GGPPBJZIBMHSJX-UHFFFAOYSA-N 451.508 1.949 30 10 JDEE N#Cc1ccncc1N1CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)CC1 1641698046 DIORACWKHNJJAA-UHFFFAOYSA-N 451.508 1.987 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2C)CC1 1644284699 CQMYQJCSYQBQPA-SFHVURJKSA-N 450.561 1.173 30 10 JDEE C[C@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)CCCO1 1649556068 APYUSKGSWVHXEI-IBGZPJMESA-N 481.601 1.788 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1689912825 BLKDMRKKYBWTCA-MRXNPFEDSA-N 497.069 1.573 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689982844 VRUIPBJNWWYLPP-OAQYLSRUSA-N 468.583 1.166 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689984757 UWKLNBGUHWLGJK-SFHVURJKSA-N 477.974 1.084 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1689985762 AWWOZBOAKMOAHS-INIZCTEOSA-N 478.596 1.158 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(S(C)(=O)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1689991228 YPQNGWMGTIPZAL-MSOLQXFVSA-N 484.644 1.156 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1689993056 UUGVZYOBOZNJMY-RJNZEALMSA-N 494.564 1.704 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCS(=O)(=O)C1 1689993737 KLWVZAGYVIACMF-VEGAHXMMSA-N 486.598 1.164 30 10 JDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(N2CCOCC2)CCSC1 1690025615 XUOHJNYCGOJOEC-QHCPKHFHSA-N 484.651 1.550 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1N(C)CCCC1(C)C 1690076817 BUDJMJCQIQQJSY-MSOLQXFVSA-N 452.625 1.191 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1690142113 IOTOQRLOUPBMDK-FQEVSTJZSA-N 491.571 1.733 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690188238 GFONIPSXXQQVPH-BZSNNMDCSA-N 476.603 1.135 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCCOC2)C1 1690236289 KZGMUMJMXWXVSI-TWFHAPMSSA-N 453.609 1.876 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccc(OC)n2)CC1 1690420543 OTQQKHASOPRTGT-MRXNPFEDSA-N 478.623 1.616 30 10 JDEE C=CCC(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690438045 XYCRAVDKFYPLFB-QGZVFWFLSA-N 468.558 1.615 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1690465337 XXOUNVJTXKCLNT-LEWJYISDSA-N 496.678 1.516 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1690485007 IZHVFNGJDNMORU-SFHVURJKSA-N 462.576 1.313 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)NC)CC1 1690500235 OXBUADQQTFKCDW-UHFFFAOYSA-N 461.588 1.904 30 10 JDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1690640868 NFEZRPGEDUKNFB-QGZVFWFLSA-N 486.598 1.891 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690660460 HXFMCNQKDDBJQX-RDJZCZTQSA-N 473.965 1.930 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1690668747 HXUMXODYQGFQPM-IBGZPJMESA-N 462.558 1.738 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1690723439 RQJWQTDMFDOBMQ-LJQANCHMSA-N 457.556 1.829 30 10 JDEE C[C@@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1692739807 CFPPJGXCABOXFN-ZWKOTPCHSA-N 460.604 1.654 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(SC)CCOCC2)CCO1 1696964199 HHJSNIVSEISRKM-GOSISDBHSA-N 456.572 1.680 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)(F)F 1705496095 ZNVDXEJIWFPEIL-KGLIPLIRSA-N 474.484 1.723 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1705510707 WRHLKXIBAREYRB-INIZCTEOSA-N 477.591 1.387 30 10 JDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705538543 SIHZWDBQHBNOKZ-KRWDZBQOSA-N 478.644 1.791 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1705559755 AYIONUWDXFRYAP-SIKLNZKXSA-N 476.603 1.210 30 10 JDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)NC(C)C 1705606548 WZDNIQMGWDDNNN-UHFFFAOYSA-N 457.398 1.833 30 10 JDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CCC[C@@H]1CO 1705616861 HOLXEIHOKWRLQW-JOCHJYFZSA-N 450.587 1.865 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CC(=O)N1CCOCC1 1705623346 OQYFKGDKWUEQAJ-UHFFFAOYSA-N 476.375 1.961 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)n1 1705631935 SPPGGUOUYZMQRK-UHFFFAOYSA-N 488.552 1.158 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCNS(C)(=O)=O)CC1 1705635552 BPOQYYCFNAMKIP-UHFFFAOYSA-N 462.645 1.580 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OCCC)c(OC)c2)CC1 1705638261 DZMXTTINBJCFOH-IBGZPJMESA-N 452.559 1.830 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc3c(c2)CCO3)C1 1705917505 XAKNGLGGTJBMNS-APWZRJJASA-N 461.588 1.847 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1705929591 TXIYQWPVKSHIBD-HRAATJIYSA-N 466.535 1.327 30 10 JDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1709908639 DITARUXJSOXIQK-UUOWRZLLSA-N 468.558 1.981 30 10 JDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(N2CCOCC2)CC1 1710857300 AMKQNXFEGKTQRO-SFHVURJKSA-N 472.615 1.941 30 10 JDEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1712696630 HPSQEQIOVLROOH-UHFFFAOYSA-N 486.598 1.327 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1722316935 OOVBLLBRAVGLPM-WOJBJXKFSA-N 490.674 1.553 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722359736 VXMMNNPIRSBQJU-LJQANCHMSA-N 471.583 1.610 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722360091 CWKLFEIPXJLVEE-CEXWTWQISA-N 457.604 1.482 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722367429 WBRPKAAHUNYYOP-RBUKOAKNSA-N 462.645 1.601 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2C[C@]2(O)CCN(C)C2)n1 1722429725 QSQRIELJKBGBDN-OFNKIYASSA-N 457.579 1.069 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@]2(N(C)C)CCSC2)CC1 1722443716 MMNKJXCRWVJJSG-ZEQRLZLVSA-N 490.674 1.333 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCS(=O)(=O)N(C)C)CC1 1722449364 INELCDGOOIHSDV-UHFFFAOYSA-N 488.614 1.023 30 10 JDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1722454359 CEUVXJBMXUHMSX-HXUWFJFHSA-N 457.648 1.871 30 10 JDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1722483239 BDJOQOAVLURCQR-HUUCEWRRSA-N 492.440 1.771 30 10 JDEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722538682 ZZBZBPCOSHBMJC-MBOZVWFJSA-N 458.515 1.744 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2cncn2)C1 1722587968 GOSNQHSEIIMSTO-ZWKOTPCHSA-N 478.623 1.646 30 10 JDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(=O)N(C)C)c1)C1CC1 1722651688 YFOGSAYBVNSCRD-GOSISDBHSA-N 473.599 1.850 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1722694312 RVCCMOLZCSHVRN-UHFFFAOYSA-N 459.514 1.244 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(O)CCOCC2)C1 1722715405 PUJGKONZXKVZKZ-IBGZPJMESA-N 491.614 1.518 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1722729199 YAEHAZBOIDWTRQ-MSOLQXFVSA-N 453.609 1.658 30 10 JDEE CCc1nn(C)c(CC)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1727478462 BFDGIHSJMIZOSP-JOCHJYFZSA-N 492.584 1.587 30 10 JDEE CS(=O)(=O)CC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 1731002204 DCEJXOFASYHWIN-QGZVFWFLSA-N 463.585 1.265 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1740619818 LMHGTDGXCIWCML-DLBZAZTESA-N 462.572 1.872 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1740624065 DSRXWXUKHWJZFT-IIBYNOLFSA-N 477.612 1.465 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1740626384 UHUVNBXWETZFKS-IBGZPJMESA-N 453.572 1.289 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1740628846 VHQWQVRXXGDPKW-WZONZLPQSA-N 490.582 1.298 30 10 JDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC2(C1)OCCO2 1740688268 OHZJFQBUOKATNS-KRWDZBQOSA-N 459.572 1.899 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)N2CCCCCC2)CC1 1740690670 ZGFUMIHRKFXNNX-UHFFFAOYSA-N 464.574 1.473 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740743686 BJKMZLUJWMVZBB-CVEARBPZSA-N 454.369 1.908 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1740782477 FRCSZLYAPHLWMD-FGTMMUONSA-N 496.634 1.490 30 10 JDEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCNS(=O)(=O)CC)CC1 1740823663 JYEOYFVJYYIHLM-UHFFFAOYSA-N 457.560 1.288 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1C 1740941161 DDHZKEDZUQWNQH-FQEVSTJZSA-N 463.604 1.915 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](C)(C(N)=O)C2)cc1 1740967752 PDZIRZKTQBGTDK-VGSWGCGISA-N 459.572 1.495 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2N(C)CCCC2(C)C)C1 1740979182 BWOQTGYDBDECKQ-AQNXPRMDSA-N 496.678 1.513 30 10 JDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)C1 1748172164 GVXJYBGCOHYZGU-GOSISDBHSA-N 456.572 1.746 30 10 JDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)C1 1748330125 GUHZCAJIAXVWNG-IBGZPJMESA-N 468.558 1.575 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CCOC2)CC1 1748751296 FBVUWUMYILRKBU-MOPGFXCFSA-N 451.593 1.277 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748812030 OKAJHCNRJJHTHN-SFHVURJKSA-N 460.604 1.021 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1748888369 URKGUWFHOYNEDA-QHCPKHFHSA-N 460.582 1.697 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCCCOC)cc2)CC1 1748971030 AWGHTZGUQKNBKE-UHFFFAOYSA-N 466.586 1.733 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@]2(O)CCOC2)CC1 1748977514 HXGCZSMBMAKRTD-YADARESESA-N 455.559 1.723 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC(=O)N2CCN(c3ccccc3)CC2)CC1 1748979100 WCYGUQLZOUNEEJ-JOCHJYFZSA-N 495.628 1.106 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@]2(O)CCc3ccccc32)CC1 1749005281 UQTFXXFBROUSQQ-NIYFSFCBSA-N 481.597 1.802 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1749037275 CTERINNKJBDQRB-INIZCTEOSA-N 464.617 1.796 30 10 JDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1749428106 YPXBCLWCLASMFB-ZJPYXAASSA-N 481.619 1.875 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1749450456 HRGNNRMIPATWIH-UHFFFAOYSA-N 454.579 1.840 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)NC)CC1 1749726699 BCEPCKQDFACAGR-UHFFFAOYSA-N 470.958 1.800 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](N2CCCC2)C1 1749756322 WPDPBVJPWDUQQT-OALUTQOASA-N 484.692 1.595 30 10 JDEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1750203450 HFCYRTRTUMPNQC-UHFFFAOYSA-N 470.534 1.507 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCc1ccn(C)n1 1751235864 FOBRCOVUUGZRQT-OXQOHEQNSA-N 484.586 1.314 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCc1ccn(C)n1 1751235865 FOBRCOVUUGZRQT-UZLBHIALSA-N 484.586 1.314 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[C@@H]1NC(=O)NC1=O 1760126539 BHHCRBXANVRRIO-WCVJEAGWSA-N 459.551 1.495 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCN(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1760180377 CXGZGSVHANOALY-MRXNPFEDSA-N 499.435 1.241 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1CC(=O)N1CCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 1760183576 SADBCUBOGSZHRX-IFMALSPDSA-N 498.653 1.767 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cc(F)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1760190566 XONLVLKQDHBHPG-QGZVFWFLSA-N 456.503 1.558 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)Br 1760219789 NPVJHFUNPXGXGS-CYBMUJFWSA-N 480.335 1.062 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccsc1)N(C)C 1760233136 ITZIZQSPFJKKLP-ZWKOTPCHSA-N 466.633 1.435 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1c(C)nc2ccccc21 1760249546 NOORNINQIOVDGC-SFHVURJKSA-N 456.572 1.625 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(NC(=O)CCC)cc2)CC1 1760268135 CZWOGJMQMMTNCJ-NRFANRHFSA-N 491.596 1.982 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCN(CCC)C2)CC1 1760271286 SMONDKMCYIEAGD-IBGZPJMESA-N 497.669 1.967 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCS(=O)(=O)c2ccccc2)CC1 1760273390 RHWJPLXCNFHAMJ-UHFFFAOYSA-N 459.572 1.254 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC(C)C)CC1 1760322075 NMEVAUFLAXYHEW-GIVPXCGWSA-N 497.662 1.986 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1760518594 XQOAKRLYJUXFCX-LRDDRELGSA-N 477.338 1.864 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1760553902 LHJRBDGRGOXCBQ-FPOVZHCZSA-N 486.642 1.931 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(S(C)(=O)=O)CC1 1760554093 RDXJZHURDZMWAF-UHFFFAOYSA-N 453.590 1.263 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1760566624 YWDZTXQMMHFMAK-ZWKOTPCHSA-N 498.675 1.121 30 10 JDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CCN1CCOC 1765234841 CPJOAPLOTITKIW-OAQYLSRUSA-N 467.574 1.223 30 10 JDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)C(=O)NCC2 1769846786 HBFVDMPRTPKCDM-UHFFFAOYSA-N 451.531 1.101 30 10 JDEE COc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cc1F 1770154926 CFMDWLSZMLGTBH-BEFAXECRSA-N 480.566 1.597 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)N=c2nc[nH][nH]2)nc1C 1858841840 NNLIMIFIPCMLRN-UHFFFAOYSA-N 458.460 1.391 30 10 JDEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCNC(C)=O)cc(OC)c1O 1862612449 KDAOMMLOANUJTK-OAQYLSRUSA-N 498.488 1.895 30 10 JDEE CC(C)(C)OC(=O)NOCC(=O)NCCOCCOCCNC(=O)OC[C@@H]1[C@H]2CCC#CCC[C@H]21 2049382258 SKDCTDORAYPQOV-PMOLBWCYSA-N 497.589 1.758 30 10 JDEE 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460.501 1.377 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)cc1 1508100848 PNJCFQMWTPNJCP-QZTJIDSGSA-N 480.612 1.417 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)=C(Br)C1 1508131678 OUXMYZYWSBGTPV-ZDUSSCGKSA-N 496.453 1.368 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1508143513 HCWQIKFHGJZQJC-HNNXBMFYSA-N 473.646 1.001 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)OC)CC1 1508148571 JGTBOIYXBYFSSM-UHFFFAOYSA-N 479.559 1.355 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1515965673 HMMCTQAFMNLPJQ-DEOSSOPVSA-N 467.574 1.853 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCO[C@@H](C)C2)CCO1 1517534024 GXRTXYCVHSMKEF-GHTZIAJQSA-N 467.574 1.269 30 10 JDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1517680028 CTGONUISHCSBFO-ROUUACIJSA-N 488.570 1.010 30 10 JDEE COCCN(C)CCCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1519108658 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C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1Cc1ccc(C(N)=O)nc1 1539392846 XSDUTWHZPWWPEB-UHFFFAOYSA-N 461.501 1.722 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(CN2CCOCC2)CCCCC1 1539414008 QHJYOKBVMRRZCU-FQEVSTJZSA-N 458.607 1.598 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2CC2(O)CCOCC2)n1 1539423784 GEARTVGQZVSRRM-HXUWFJFHSA-N 458.563 1.544 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CC[C@]3(CCOC3)O2)CC1 1539468932 KCFBSZBQOKYRRU-VAXXYWNWSA-N 475.590 1.306 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCOC(C)C)CC1 1539473808 BTERSRCIKIUJGF-UHFFFAOYSA-N 477.573 1.702 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C(N)=O)nc2)CC1 1539474595 VCWZQVDUIMPLBZ-UHFFFAOYSA-N 478.944 1.502 30 10 JDEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1539960773 GQKZTHKVFDOIPQ-UHFFFAOYSA-N 478.601 1.759 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1540871604 PFZJEPVXMGOSSD-YJBOKZPZSA-N 461.544 1.106 30 10 JDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(C(=O)NCc2cccnc2)CC1 1543584992 GOPWZNSIBHQTMR-INIZCTEOSA-N 455.540 1.175 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1(N(C)C)CCC1 1545916497 HNUBNJSOOYHQBT-UHFFFAOYSA-N 496.664 1.921 30 10 JDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(C)cn2)CC1 1548329790 CGMFTHJLBCMGMM-UHFFFAOYSA-N 468.587 1.930 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588045277 ITAKMJACHUTMDV-GOSISDBHSA-N 485.591 1.441 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1588065325 WWECPMFHCXMSGG-FQEVSTJZSA-N 455.584 1.785 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588068971 DHRVQHMMXYXDDY-DNVFCKCGSA-N 474.583 1.332 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)NC(=O)OC(C)(C)C 1588181132 PKSBAKUJZBKQGH-MRXNPFEDSA-N 466.608 1.655 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1c(C)noc1C 1588233500 JOPHXRLBZFSWRN-VQIMIIECSA-N 474.587 1.482 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2CCc3ccccc32)CC1 1588741593 FOBRCSLIFAZYNQ-IBGZPJMESA-N 471.631 1.096 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccnc(SCC)c2)CC1 1588924284 YXBLKJUAGFHQLT-SFHVURJKSA-N 467.599 1.750 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=O)NC(C)C)CC1 1588930055 MFEOLEBOTDAPGH-HXUWFJFHSA-N 466.542 1.281 30 10 JDEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1589366410 CVVXQHYIXXBEPG-KRWDZBQOSA-N 462.396 1.935 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N1CCOCC1 1595133000 BGUCYJBQEWEJQU-SFHVURJKSA-N 477.562 1.371 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](OCC=C)C1 1595551270 NCLYZALNGMJWGZ-ROUUACIJSA-N 476.578 1.670 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1595778013 UPKULAJOGUDBOZ-CQSZACIVSA-N 458.993 1.823 30 10 JDEE CNC(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)CC1 1618729224 CSOFCWZWQGNYMJ-UHFFFAOYSA-N 463.546 1.763 30 10 JDEE COCCN(CCC#N)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCCS1(=O)=O 1619910243 BCFCNKFOFBMYJH-UHFFFAOYSA-N 486.396 1.438 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCO[C@H](Cn4cccn4)C3)n2CC(=O)NCC(F)(F)F)c1 1620349108 FTTRTRJLFMXDSV-KRWDZBQOSA-N 474.447 1.597 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)CC1 1632961334 WFCXTLZYMYSANZ-GOTSBHOMSA-N 453.564 1.981 30 10 JDEE CN(CCS(=O)(=O)N1CC(Oc2ccc(C#N)cc2)C1)S(=O)(=O)c1ccc(F)cc1 1661322821 AUYKWTKRKQZSKN-UHFFFAOYSA-N 453.517 1.411 30 10 JDEE CN(C)CCN1CCC(NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1 1682026914 GYPNPYDGBRHFPY-UHFFFAOYSA-N 450.591 1.806 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1689991745 BSWKKSFYGIBYHO-SFTDATJTSA-N 476.574 1.830 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)COC 1690103264 BHSPUXLGLDGUHG-MSOLQXFVSA-N 451.568 1.955 30 10 JDEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690230703 NSFCUPLSQRKDKL-UHFFFAOYSA-N 474.363 1.100 30 10 JDEE C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1690295950 ZSGYZQUVTFMECZ-UHFFFAOYSA-N 480.573 1.517 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C(N)=O)CC1 1690717369 DGWOCSVNROZOMB-UHFFFAOYSA-N 463.560 1.265 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690722247 BUPUSXVVMARCIW-OXQOHEQNSA-N 487.582 1.398 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1690722482 KYKDNUCAZPIXKC-LJQANCHMSA-N 457.560 1.351 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(NC(C)=O)CC1 1690722799 WIIIILYVDMVJAF-UHFFFAOYSA-N 483.598 1.837 30 10 JDEE CCN(CCCn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)S(C)(=O)=O 1695740117 FGGFJBYWSIAIOR-UHFFFAOYSA-N 472.619 1.495 30 10 JDEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(C)(=O)=O)cc(OC)c1OC 1697252133 FZTALEXCVDSFON-LJQANCHMSA-N 453.496 1.457 30 10 JDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccnc2OCC(F)(F)F)CCO1 1698492838 GEEFBUGPCFPAKA-KGLIPLIRSA-N 451.409 1.342 30 10 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1.982 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCC(F)F 1705622851 XHSYQSHGROTWRI-UHFFFAOYSA-N 459.295 1.513 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCCS2(=O)=O)n1 1705631327 AJPVMBFKWSSMEO-RTWAWAEBSA-N 490.630 1.970 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(=O)NCC=C)CC1 1705644770 BPYOOMMBKRVCCN-KRWDZBQOSA-N 468.533 1.825 30 10 JDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705662703 HSLVXUSSAMEPJV-GOSISDBHSA-N 458.613 1.896 30 10 JDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1705829652 YQQQPNXAILORRF-GOSISDBHSA-N 481.557 1.126 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H](C(N)=O)C1 1705902339 CGGMYXDXBJKXBB-QGZVFWFLSA-N 475.594 1.397 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1705904401 OBVOTQOFRRDTLV-MJGOQNOKSA-N 458.588 1.563 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1705904718 VXAXGAONCWZXFS-LJQANCHMSA-N 492.646 1.101 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cnn(-c3ccccc3)c2)C1 1705915193 ISSRXLUQFZBRFO-XLIONFOSSA-N 471.587 1.904 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)cn2)C1 1706933535 HGYXCMDRNOEPBF-FXAWDEMLSA-N 463.539 1.323 30 10 JDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1709842541 BLXCRYAVBQDGAM-UHFFFAOYSA-N 480.617 1.723 30 10 JDEE Cn1cc([C@@]2(C)CN(c3nnc(-c4ccc(C#N)cc4)n3CCCS(C)(=O)=O)CCO2)cn1 1711246285 FNXATGFXHJLWNH-JOCHJYFZSA-N 469.571 1.737 30 10 JDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C2CC2)C1 1712428121 DNXSELJZBNDOEV-FQEVSTJZSA-N 474.587 1.940 30 10 JDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1722322493 TYGSNRMZSJWHMW-OAQYLSRUSA-N 466.586 1.489 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CCNC(=O)c1ccc(C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1722364161 JPYOHLIQWGLMPL-SFHVURJKSA-N 461.563 1.906 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1722366147 PYHYSNFRMOLNOE-WRWLIDTKSA-N 450.586 1.097 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1722372560 ZDDVANXVOLWOEL-FQEVSTJZSA-N 453.572 1.404 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCN1CCCS1(=O)=O 1722394882 JLAWTXRFXDYDKG-UHFFFAOYSA-N 479.404 1.545 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2cccc(C)c2)CC1 1722447797 PWZVBDGLDNWPQI-NRFANRHFSA-N 464.570 1.486 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)CC)CC1 1722449465 JXBRRQYTCYUCGN-UHFFFAOYSA-N 463.542 1.173 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)c2c(C)noc2C)CC1 1722450076 WMEVCEALKCNPKD-INIZCTEOSA-N 467.574 1.775 30 10 JDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722481388 YGQDPQVZBWHKGJ-AWEZNQCLSA-N 480.429 1.771 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CCS(C)(=O)=O)nnc1[C@]1(OC(C)C)CCOC1 1722502732 UDSSRVJIOSNEEU-WFXMLNOXSA-N 456.609 1.781 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N(C)C[C@@H]1C)C(C)C 1722662925 PSEDVFUAILRVKG-VQTJNVASSA-N 457.623 1.880 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCOCC1 1722671693 BMOAHKFZBGGOMV-GOSISDBHSA-N 453.609 1.996 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1722688489 DAKYWCUKNLKWOR-HNNXBMFYSA-N 482.994 1.455 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(S(C)(=O)=O)cc2)C1 1722709771 XXRJHICZGBJZKZ-IBGZPJMESA-N 473.599 1.942 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1722726852 GFMPFVAJGISCDA-UHFFFAOYSA-N 475.619 1.009 30 10 JDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722743724 HUSLRMZTPFMAJR-OTWHNJEPSA-N 465.620 1.749 30 10 JDEE C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1722871746 CJYYDOYJVOPWEC-KRWDZBQOSA-N 464.574 1.084 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCOC1=O 1722980068 FWDQVHUJGKEKOL-IRXDYDNUSA-N 475.550 1.921 30 10 JDEE C[C@@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1723875805 DAFSFPKZYQYMQY-SFHVURJKSA-N 472.615 1.798 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H](C)COC 1727222224 AXEFBGYLASLNBX-MRXNPFEDSA-N 471.610 1.719 30 10 JDEE CN1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)CC1(C)C 1729603208 BEJIBGWNXPIYBE-UHFFFAOYSA-N 464.618 1.935 30 10 JDEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1)OC 1730471546 CABUHOAEDXVIDQ-MONBJTKQSA-N 457.531 1.774 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn(C)nc1-c1ccccc1 1740553028 QLGUUNSIYCZFKA-FXAWDEMLSA-N 483.598 1.518 30 10 JDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1740589472 ZVVJFSDGOUPHQH-UHFFFAOYSA-N 455.544 1.525 30 10 JDEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1740594943 GKQKPTBIDTUYRB-UHFFFAOYSA-N 494.596 1.395 30 10 JDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1740601203 SOGLKPZQCRUMAZ-JYJNAYRXSA-N 454.597 1.632 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCCN1c1cc(NC)ncn1)[C@@H]1CCS(=O)(=O)C1 1740615699 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C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccs1)N1CCCC1 1748930069 XASZZJAUFUBSRX-RBUKOAKNSA-N 492.671 1.969 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H](OC)C(F)(F)F)CC1 1749001582 XDVVMKTWNWCSIE-OAHLLOKOSA-N 458.485 1.350 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1749016359 BVMPAHHUPBTUSY-JOCHJYFZSA-N 499.685 1.956 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccs1 1749053356 HDRRUJXUJGCICP-IFXJQAMLSA-N 450.590 1.372 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOCCCO 1749056865 WDLXBVFQEMBMIP-JOCHJYFZSA-N 461.588 1.587 30 10 JDEE C=C(Br)Cn1c(N2CCO[C@H](Cn3cccn3)C2)nnc1[C@@]1(OCC)CCOC1 1749112063 AFRZGDVVZUYYKD-QFBILLFUSA-N 467.368 1.941 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1749119862 XSXKEIDPWUEBMR-OYSTVDSJSA-N 453.609 1.875 30 10 JDEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1749176041 XJQPOWFWXBYQOD-UHFFFAOYSA-N 451.549 1.629 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](OC)C(C)(C)C1 1749228731 CERGOWIAQZBBHE-DLBZAZTESA-N 457.597 1.065 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1749649762 AAKYUNLYYQSWHN-MRXNPFEDSA-N 461.592 1.842 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1749659521 GCQGYEBUOPORSQ-WMZOPIPTSA-N 484.557 1.344 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COC)C1 1749690516 STILJDWTPOZLIW-GHTZIAJQSA-N 491.614 1.697 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1749731485 FKGHDXQLDLJFMC-PGRDOPGGSA-N 494.017 1.667 30 10 JDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1749752480 QYBNHIMZVJHSEK-NRFANRHFSA-N 474.679 1.829 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccnc(OCC2CC2)c1 1751208107 CWNAIEUIHXLYFK-HNNXBMFYSA-N 459.576 1.860 30 10 JDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760136345 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476.603 2.000 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(OC)n2)CC1 1760427507 BLBJOZBENYQVBG-QGZVFWFLSA-N 461.592 1.662 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)OCCO2 1760505105 LAJPJBBHFPNZOO-SFHVURJKSA-N 462.572 1.833 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1760525845 UGAGEZCCMKXHSY-MRXNPFEDSA-N 451.535 1.141 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1760549119 WVVWPUKEBUABIT-UHFFFAOYSA-N 489.598 1.822 30 10 JDEE CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(C#N)cc1 1766679723 DGRRBHJVGJJQOD-UHFFFAOYSA-N 453.528 1.868 30 10 JDEE COC1CCC(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)CC1 1769023751 GVQQIEPTEHTNNH-LWSMDNFKSA-N 468.624 1.802 30 10 JDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1C(=O)O 1862629061 MUENICLHODKASG-LJQANCHMSA-N 452.419 1.828 30 10 JDEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCNC(C)=O)=C(N)Oc2c1c(CCC)nn2C 1864320721 YRHGBSJZHDSMRN-LJQANCHMSA-N 453.543 1.884 30 10 JDEE C[C@H](O)Cn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN1CCN(C)CC1 1870324323 GCHJPJPGWBROAB-INIZCTEOSA-N 485.610 1.416 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)N2CCC(CO)CC2)nc1C 1872678794 LZCMSCPDHCIQPX-UHFFFAOYSA-N 465.488 1.039 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255619388 OTMIDJRUNVNMIV-ICNDJQDOSA-N 454.358 1.614 30 10 JDEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255698167 NUNCFVFBCWTIFD-HKBQPEDESA-N 454.358 1.539 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2255803887 VXCILZFGFWUIQW-QWHCGFSZSA-N 453.370 1.542 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=[S@@]2(=O)CC[C@@H](NC(=O)OC(C)(C)C)C2)n1 2267115979 MGYHULWSRRFEDY-CGRYZCQKSA-N 469.373 1.020 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H](F)CN(C(=O)OC(C)(C)C)C1 2267167312 DPVJYGQBDUBMSX-UONOGXRCSA-N 452.336 1.797 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H](O)CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2267466913 JFJTUWZETROGJY-CYBMUJFWSA-N 490.815 1.803 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2267487325 OTYARICRJBGMFC-YOENINGUSA-N 465.381 1.853 30 10 JDEE Cc1cnc(C(=O)N2C[C@@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2281952679 ZQZDJAHIKISQSV-CVEARBPZSA-N 461.368 1.789 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@]12CCOC2 2281990399 MOLJIJQGBIEFHU-PEBXRYMYSA-N 462.356 1.607 30 10 JDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CN(Cc4ccccc4)[C@@]4(CCOC4)C3)[nH]n2)OC1(C)C 2281992554 PEFRYYZPAJUYGP-UUOWRZLLSA-N 452.364 1.872 30 10 JDEE C[C@H]1CCN(Cc2ccccc2)C[C@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282349732 CJQPOFMLRYKYJF-FXAWDEMLSA-N 474.436 1.908 30 10 JDEE Cn1cc(C(=O)NC[C@@]23C[C@@H](CO2)N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2282586367 XRIAQNXCMJJWRJ-RCDICMHDSA-N 462.356 1.228 30 10 JDEE Cc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1B1OC(C)(C)C(C)(C)O1 2282586567 ZZUVEKWATAZRBO-HNNXBMFYSA-N 459.356 1.613 30 10 JDEE CC(C)(C)OC(=O)NCCn1cc(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)cn1 2282614835 LLTNSFHZPSCGSH-UHFFFAOYSA-N 458.328 1.749 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@@H](O)C1 2282860579 CPWLJCQPWKJIDL-MSOLQXFVSA-N 482.408 1.634 30 10 JDEE CC(C)(C)OC(=O)NCCn1cc(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)cn1 2283055887 JSSAORWFFASCHF-UHFFFAOYSA-N 458.328 1.749 30 10 JDEE CN1C[C@@H](C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)CC1=O 2283961654 HQUYFKDGAGWWMX-HNNXBMFYSA-N 479.408 1.741 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H](O)C1 2284046540 CCXLXSWZJCSVBB-OYHNWAKOSA-N 482.408 1.396 30 10 JDEE CC(C)(C)OC(=O)N(CCCO)CCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2342618102 HZZFQDDUTHZYNN-UHFFFAOYSA-N 450.345 1.724 30 10 JDEE COc1cc(OC)nc(N/C(O)=N/S(=O)(=O)c2nc(C(F)(F)F)ccc2C(=O)O)n1 31424949 HCNBYBFTNHEQQJ-UHFFFAOYSA-N 451.339 1.321 30 10 JDEE CN1/C(=C/C(=O)CN2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)C(C)(C)c2ccccc21 102465335 GIXILLXILOZBEZ-LPYMAVHISA-N 485.610 1.311 30 10 JDEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204870423 TXPZKOPSOQSCTO-NVXWUHKLSA-N 475.399 1.774 30 10 JDEE CC1(C)OB(c2ccccc2CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)OC1(C)C 704370240 CPXYJYUHQKTIFX-UHFFFAOYSA-N 470.356 1.701 30 10 JDEE Cc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnn4ccccc34)c2=O)c(C)c1 729668730 PLSHYRRZNHYPFU-UHFFFAOYSA-N 455.543 1.945 30 10 JDEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)c3ccc4c(c3)OCO4)n2N)cc1 1084540342 GVBDKVXUBSTXQD-UHFFFAOYSA-N 454.468 1.928 30 10 JDEE CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)c1 1144417492 ADPFKVFLTJYLEM-FOIQADDNSA-N 455.540 1.579 30 10 JDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)Nc2nncs2)CC1 1146815110 WXXAVZZQPPYVNI-OAHLLOKOSA-N 452.581 1.870 30 10 JDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 1271194662 CXBPBZUMUVPYKV-IBGZPJMESA-N 459.572 1.976 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCS(=O)(=O)c1ccccc1 1286277545 DZVRNVOFZBDYQA-HZPDHXFCSA-N 453.590 1.210 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 1286391707 FOEATFNZCRHQJE-IAGOWNOFSA-N 498.577 1.328 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2nnc(C)s2)CC1 1286469968 PSPCERCLOOVZGK-UHFFFAOYSA-N 470.990 1.825 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCS(=O)(=O)N2CCSCC2)CC1 1286474047 YHJPFNPWSIZCTI-UHFFFAOYSA-N 495.074 1.732 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1286481978 LOEJRPZHFADSCU-HSZRJFAPSA-N 479.673 1.906 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(F)ccc2OC)CC1 1286485768 XQSOHBOIWUYBRS-UHFFFAOYSA-N 456.522 1.578 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCC2CCC(OC)CC2)CC1 1286485983 FADDPABQYUPGBX-UHFFFAOYSA-N 458.607 1.977 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(O)CCSC2)CC1 1286487110 CZYVLVDVPNFNGV-FQEVSTJZSA-N 493.431 1.870 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1286495619 BCEZDFHVOGXVMT-ZWKOTPCHSA-N 465.649 1.910 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1286509462 QUHHQWFXFQSNFR-IAGOWNOFSA-N 453.634 1.432 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1286606442 PVTJNGWSJYYWDH-LJQANCHMSA-N 456.522 1.810 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2nccs2)CC1 1286663158 HHAFEXBAZWIDGF-MRXNPFEDSA-N 452.606 1.713 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1286783245 IBCAOSWMHUBBDJ-CQSZACIVSA-N 491.346 1.659 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1286816428 LAQJITFXAWHTLM-KBPBESRZSA-N 453.908 1.708 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1286822369 JEOZULIAUWZUFS-UHFFFAOYSA-N 498.584 1.966 30 10 JDEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 1296964449 GEUQRAHKOVGXDC-GSVIPDFHSA-N 475.571 1.282 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-c1cnn(C)c1 1300311833 WDWZIUNOMGSVDQ-DYESRHJHSA-N 483.598 1.518 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCN1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 1300494111 YUGQTDDGYDADAS-LJQANCHMSA-N 472.615 1.122 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCC(=O)N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1300501334 JTTXGOLXIPNYBX-NRFANRHFSA-N 484.626 1.683 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCS(=O)(=O)N1CCSCC1 1300569200 GBGLQIHNCKJQDJ-UHFFFAOYSA-N 479.031 1.835 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCc2c[nH]nc2C)CC1 1300710931 QIXHLBUHEMGZGJ-UHFFFAOYSA-N 452.563 1.144 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1300729303 UVGGHVINCXRYCK-IBVKSMDESA-N 483.661 1.877 30 10 JDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1300743089 HJSLNAOLMSHFFK-UHFFFAOYSA-N 483.598 1.964 30 10 JDEE C#CCSCCn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300778194 OWWHIFYPUJKMTD-WMZHIEFXSA-N 477.631 1.513 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1300868683 GPODACVAHPUILJ-OPYAIIAOSA-N 473.578 1.570 30 10 JDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCCC2)CCOCC1)C1CC1 1301313652 DOVLGPVPXGIJTR-QGZVFWFLSA-N 452.625 1.688 30 10 JDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CCCC[C@H]3NS(=O)(=O)C3CC3)ccc2c1=O 1301717077 QRNVUOISSVBZMT-IAGOWNOFSA-N 462.597 1.994 30 10 JDEE Cc1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)sc1C 1304052711 FWWUZEUEAGDVFD-UHFFFAOYSA-N 487.611 1.932 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1316533185 GVWLSNOTHPQDFN-QGZVFWFLSA-N 498.531 1.848 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC2(CC1)OCCO2 1358929448 AAFFTCAQVBVLLN-GOSISDBHSA-N 467.592 1.146 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1358958935 YSCQZCMJSCTMAO-SFHVURJKSA-N 470.555 1.371 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1358961341 WVKRBYRKIWJBFX-KDOFPFPSSA-N 457.560 1.714 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc([C@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1358964644 CSCXFSIQJSEWAD-AVRDEDQJSA-N 465.579 1.992 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)NC(C)(C)C)CC1 1359047284 ZJDHRFQCPOHACI-UHFFFAOYSA-N 468.606 1.410 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC(C)C)CC1 1359048749 AYINVHYROSOEBS-INIZCTEOSA-N 472.637 1.169 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1359117341 VGZPUGMBSYDPAH-HNNXBMFYSA-N 464.596 1.734 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCN2CCC[C@H]2CO)CC1 1359165905 ZJMBJZGNOYDEDB-VQTJNVASSA-N 482.651 1.004 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1OC 1359272300 OXFPVTXCDCYDFH-LJQANCHMSA-N 465.551 1.985 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(-n2cccn2)c1 1359281497 CBUAXZNORHJOLQ-GOSISDBHSA-N 457.560 1.448 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1359291818 CERZIZHXGNBIOQ-OALUTQOASA-N 481.667 1.283 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1359301240 VKJRAQGGGQZZRD-OALUTQOASA-N 467.622 1.673 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ncc(CC)s1 1359326806 KDLFJESZKFENAH-UHFFFAOYSA-N 452.606 1.770 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)C1 1359331001 JSZPQLNYOGIGQR-UHFFFAOYSA-N 499.597 1.499 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)cc1 1457270393 GUTMMEUPPIOKSO-AWEZNQCLSA-N 450.538 1.501 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCOC(C)C 1497055313 BZQHDWWIOTVTFH-QGZVFWFLSA-N 469.594 1.998 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(=O)Nc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1507632699 PEYOBLMXZKLZRA-ZWKOTPCHSA-N 484.582 1.111 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCN1CCCCCC1=O)[C@H]1CCS(=O)(=O)C1 1507635304 RQOAUTZBFLWENE-NRFANRHFSA-N 484.626 1.683 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCOC[C@H]1C 1507644296 FGNICXSSMNWRAS-UYAOXDASSA-N 455.584 1.941 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)NC(C)C 1507663126 UDCSJDWWZIIARU-UHFFFAOYSA-N 477.612 1.139 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2CC2(O)CCCC2)n1 1507714177 JHYPXQMNOAGMFQ-UHFFFAOYSA-N 455.563 1.302 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)NCCc2ccccc2)CC1 1507728043 VSHJMDGQPAREKW-UHFFFAOYSA-N 460.586 1.254 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)N(C)C)CC1 1507733877 CTKHUHTWWOTLJX-UHFFFAOYSA-N 453.503 1.297 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)NCc2ccccc2)CC1 1507737944 DKTSJJAACMGFEX-JOCHJYFZSA-N 478.597 1.844 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2ccccc2)CC1 1507739971 WGTQFNRHCHAFIU-NRFANRHFSA-N 469.611 1.779 30 10 JDEE 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469.508 1.656 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)N1CCSCC1 1588128731 QMNWGKRJTMNRKA-UHFFFAOYSA-N 497.606 1.045 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCCS1(=O)=O 1588673345 ORDNFWMYUNNLBA-IBGZPJMESA-N 456.572 1.570 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCOCC3)nc2)CC1 1588884449 ARODHOZFVDLZKB-UHFFFAOYSA-N 451.575 1.647 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)C2CCCCC2)CC1 1588962072 SSWOANOQWCZMTG-RUZDIDTESA-N 470.618 1.698 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1595754348 NENNJYVDRRGUHE-UHFFFAOYSA-N 495.005 1.843 30 10 JDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)[C@H](C)C1=O 1607485459 HFZHGBLEMUEHKS-LJQANCHMSA-N 479.585 1.759 30 10 JDEE C[C@@H]1CCCN([C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)C1 1612780748 FCQKZHRVRVDZMZ-SBHAEUEKSA-N 493.678 1.861 30 10 JDEE C[C@H]1CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)C[C@@H](C)O1 1612873588 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C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1507740413 SQMZIQHSTNVKSO-QHCPKHFHSA-N 479.629 1.587 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCS(=O)(=O)CC=C)CC1 1507741419 SDJYYMIGKXYDNZ-WOJBJXKFSA-N 491.658 1.763 30 10 JDEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507756283 HXNLXGQEJAWXJK-UHFFFAOYSA-N 467.592 1.834 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507916119 KDRPULXCINHRIQ-OYHNWAKOSA-N 478.619 1.597 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1508086453 LOWUXAOPAGTFHF-KRWDZBQOSA-N 467.578 1.080 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1508135002 CMNVLCRYUNXUOP-SIKLNZKXSA-N 486.642 1.535 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1508136526 TYKRYPNJYIGNBE-MRXNPFEDSA-N 477.587 1.620 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1508140876 QUJSYFYZWJPJBJ-AZUAARDMSA-N 478.663 1.573 30 10 JDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1508148575 JHPNHBALUOKKCH-UHFFFAOYSA-N 463.560 1.083 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCOCC1 1508405170 CSPURIZZXZUYHC-LJQANCHMSA-N 451.575 1.990 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539202454 IYPAIULGFXWBED-GOSISDBHSA-N 498.540 1.748 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1539210271 ASSUVLCJZUUULS-OAHLLOKOSA-N 488.994 1.799 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1539229644 FYABSYCCSAWFPD-GOSISDBHSA-N 484.557 1.964 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1539296671 SNPBOVPMZGMPOY-NTKDMRAZSA-N 486.594 1.829 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC(OCC)C1 1539325681 LPKZJKIPSKVDBP-ABGUIGEDSA-N 487.601 1.979 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(S(C)(=O)=O)CCC1 1539400036 YFNMHEZSPOEPFN-UHFFFAOYSA-N 480.612 1.402 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1539453229 GTYFSGALHOQYIG-UHFFFAOYSA-N 464.595 1.612 30 10 JDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1540859440 CXSYZKVFTHSWPT-UHFFFAOYSA-N 473.647 1.301 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccn1 1554164973 DUUKKXVWLLYGCL-NRFANRHFSA-N 481.582 1.757 30 10 JDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@H](C)C2)CC1 1555198347 IDOIWNSPPWKYQX-IBGZPJMESA-N 451.575 1.844 30 10 JDEE C=C[C@](C)(O)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1 1566656285 GNAJIZWNGLERDX-KKSFZXQISA-N 453.561 1.564 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1587668159 UGJVSFCIAHQGDY-KUHUBIRLSA-N 483.388 1.627 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1587766187 QCYIXCFOZNPZAR-NHCUHLMSSA-N 484.626 1.332 30 10 JDEE C#CCCCn1c(N2CCCN(CC(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1587894195 PSXULFPDPGFTTE-XMMPIXPASA-N 458.607 1.478 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1588069028 FSAXXHWQKAAUSA-LJQANCHMSA-N 469.571 1.392 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCOc2ccccc21 1588138735 IDOKMADTIXCYJO-UGKGYDQZSA-N 483.594 1.640 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1588865344 UWFCZTXEIJPPCB-OAQYLSRUSA-N 486.642 1.511 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1 1588961888 PUGXIAFIRGWLSX-UHFFFAOYSA-N 477.569 1.563 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(N2CCCCC2=O)CC1 1595577306 OTWWXKDLGOTBMI-UHFFFAOYSA-N 485.614 1.553 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(N(C)C(=O)OCC)CC1 1595784975 PIBCSJWMMWWTMV-UHFFFAOYSA-N 464.592 1.942 30 10 JDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1595877953 DPISXNJRDCODTB-JKSUJKDBSA-N 454.622 1.153 30 10 JDEE CC[C@H](C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1613137170 ASCWNMUYAITLQJ-ZMMAXQRCSA-N 467.578 1.667 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)c2ccc3c(=O)n(Cc4ccco4)c(S)nc3c2)CC1 1626032739 GMRCUFSQNGZHNJ-UHFFFAOYSA-N 450.520 1.928 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)c1 1648126679 CYBJKIJFIOQINC-AWEZNQCLSA-N 450.538 1.501 30 10 JDEE C#CCNC(=O)CN1CCN(S(=O)(=O)[C@H]2CCc3cc(Br)ccc3C2)CC1 1662587596 FLZRJBHFSSUFSK-SFHVURJKSA-N 454.390 1.003 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CCS(C)(=O)=O)c1 1689868958 WIYHWIKLPYLTBR-JOCHJYFZSA-N 475.571 1.031 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689978060 KVVBGPXDGNTPTG-AWEZNQCLSA-N 470.477 1.895 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1c(CC)nn(C)c1CC)[C@@H]1CCS(=O)(=O)C1 1689986207 KWEPQPIPKDLJJC-QGZVFWFLSA-N 467.599 1.873 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(C)c1 1690103938 JMZRCQVSYVVUNU-QGZVFWFLSA-N 453.590 1.115 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1690110383 KCVOUPJDCOYCMF-UHFFFAOYSA-N 452.607 1.892 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1690124868 WCCMSWUYQRNPPC-IFMALSPDSA-N 486.642 1.247 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)CC(F)(F)F)C1CC1 1690544880 DRFSUOYCHBOFLJ-HNNXBMFYSA-N 466.530 1.260 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1 1690603884 KGGAMHHLMRPFDO-NRFANRHFSA-N 485.614 1.628 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1690669507 HMGFPAWSSDVFOQ-INIZCTEOSA-N 464.530 1.201 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1690673761 COOCTCYBFSMZJM-SFHVURJKSA-N 450.547 1.171 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1690696343 AOYSDBCIELKERK-QXAKKESOSA-N 456.522 1.494 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2CCN2CCN(C(C)=O)CC2)C1 1690707469 XATSCJOKFADBST-OAQYLSRUSA-N 456.566 1.953 30 10 JDEE C=CCS(=O)(=O)CCn1c(Nc2cnn(C)c2)nnc1-c1cccc(S(C)(=O)=O)c1 1690732103 WDNZJGURSLTUTR-UHFFFAOYSA-N 450.546 1.427 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOC2=O)cc1 1692662490 HUXBPKIIFZDJHP-RDJZCZTQSA-N 458.544 1.923 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1698484177 GDPMTYJWSMBOAL-FQEVSTJZSA-N 498.531 1.441 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCN1CCCO 1705491177 ZHMVUUWOHWWJRS-OALUTQOASA-N 463.586 1.980 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC2([S@@](C)=O)CC2)c1 1705503771 DIYVUEMUONYTDO-JGCGQSQUSA-N 456.572 1.384 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705562154 YRDITIXDSIRDQT-RCCFBDPRSA-N 472.571 1.367 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)c1ccccc1 1705582563 DOTNATOUIJHWDG-OAQYLSRUSA-N 470.599 1.210 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCCCC2)nc1 1705612226 CISFBHBACVPIQS-FQEVSTJZSA-N 487.630 1.504 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1705650198 NUBOLCYBFFPBIV-NRFANRHFSA-N 478.597 1.758 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705698896 ZXJKWLOJECOTNK-BQJUDKOJSA-N 495.694 1.086 30 10 JDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1705829221 KRMJCXCXMBLFNB-LJQANCHMSA-N 456.522 1.810 30 10 JDEE C=CCCOCCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705831957 JABJRYKXEWOKIW-IBGZPJMESA-N 468.558 1.214 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1705843507 HHBUNGZANZVYSW-JKSUJKDBSA-N 472.612 1.489 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C(=O)NC)c1)C1CC1 1705853877 GNUVJLXOXMNDPU-HXUWFJFHSA-N 488.614 1.368 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N1CCOCC1 1705876227 RSPWJJQVINEFKK-SFHVURJKSA-N 476.578 1.624 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1705890862 NJRGBZFNAGIGPO-HOTGVXAUSA-N 470.596 1.291 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1705897804 UOFAERDRMLGEOW-FOIQADDNSA-N 494.593 1.280 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705904223 JICORPHNQUTBBU-MAUKXSAKSA-N 461.544 1.106 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC2(CCCCC2)C1 1705904784 YOPKETASBVBWBS-MRXNPFEDSA-N 453.634 1.739 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1705905999 OFNZCVKJKSDKOB-UHFFFAOYSA-N 462.558 1.686 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)c2ccco2)CC1 1705908844 WGIQQLFLBGDZKQ-UHFFFAOYSA-N 468.489 1.854 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)OC[C@H]2C1 1705937777 DXTZPMPFAFCPEX-GOSISDBHSA-N 475.571 1.716 30 10 JDEE CC(C)(C)Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1706142581 BTMYNTSECLABMQ-XXBNENTESA-N 473.599 1.866 30 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C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCC(F)(F)F 1748869083 SRYTZUYVLUBEIJ-UHFFFAOYSA-N 495.531 1.688 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1749008932 JJRIAMDLNAUKNL-UHFFFAOYSA-N 492.559 1.142 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2C)CC1 1749015490 XLAMIUOHQWCWKR-HXUWFJFHSA-N 455.584 1.503 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(OC)CCOC2)CC1 1749018652 CCFOVPZTXODHDJ-VWLOTQADSA-N 483.569 1.637 30 10 JDEE C#CCSCCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749048534 PNLNLFXJTIIJHP-QHCPKHFHSA-N 492.646 1.259 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)CCS(=O)(=O)CC 1749128389 VKVJHFALEHVJSW-HNAYVOBHSA-N 465.576 1.858 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1749413802 YRVYQFFRLDDJEF-CYBMUJFWSA-N 466.530 1.749 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)C2CC2)CC1 1749427067 KTJAKWLEAZXTIO-SFHVURJKSA-N 466.608 1.072 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1749676991 KFCLUSLNZHASQQ-UHFFFAOYSA-N 454.560 1.358 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1749738368 KUDHJWIWJCCIHD-CVEARBPZSA-N 492.627 1.118 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCc2ccccc2C1 1751216360 CWCYWPVTYSPXMQ-VGOFRKELSA-N 475.594 1.779 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1760184249 HUSIIZBRAFPEMO-SJORKVTESA-N 482.532 1.851 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1760191269 DPUMFTAWTVGJMZ-JTSKRJEESA-N 462.572 1.653 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1760192747 XWNJYVQDEPAHRC-PKHCJMHPSA-N 474.652 1.991 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1760192933 ZUSXAZLFCLEXDB-MRXNPFEDSA-N 462.601 1.149 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc(-c2cccs2)n1 1760234399 WDZRNIDENVUXAM-MRXNPFEDSA-N 476.584 1.835 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2nc3c(s2)CCCC3)CC1 1760254059 MSUQAMSKFSASHF-MRXNPFEDSA-N 477.660 1.222 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@H]1C(=C)C 1760294549 ACXUNYAPZDOBTE-MDPIYQRISA-N 463.604 1.584 30 10 JDEE C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1760347328 RGXGGFMIFZYBSV-UHFFFAOYSA-N 464.574 1.496 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760550984 PPHGPIGNHQVHIM-GOSISDBHSA-N 468.601 1.568 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1760555374 DUSIEQZRTSHPNS-UHFFFAOYSA-N 465.605 1.853 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN1CCOCC1(C)C 1761493181 HQMSARAYAHRDCE-OXQOHEQNSA-N 453.613 1.129 30 10 JDEE COC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1769530450 CHGZURQSRQXHTJ-MRXNPFEDSA-N 453.551 1.202 30 10 JDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1771080419 FQRWWJMUSYDVDT-XMMPIXPASA-N 464.574 1.880 30 10 JDEE COC(=O)COc1cn(CCOCCO)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870266007 WQVGKKUPMIULDJ-UHFFFAOYSA-N 461.540 1.893 30 10 JDEE C=CCn1cc(OCC(=O)N(C)C[C@@H]2CCCO2)c(=O)cc1CNc1ccc2c(c1)C(=O)N(C)C2=O 1870991843 FHGQUKZOONDVFD-IBGZPJMESA-N 494.548 1.888 30 10 JDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)O)oc2Br)[C@H](C#N)C1 2162598644 LEAMBUSQLBFOEK-SECBINFHSA-N 464.294 1.874 30 10 JDEE C[C@@H](C[S@@](C)(=O)=NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255630751 OHZQZUGDYRDBNM-ZDUYTPDQSA-N 456.374 1.860 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)[C@@H]21 2256679490 XDGMZUVTEKROGA-JHJVBQTASA-N 450.370 1.843 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN2S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267704023 GXPDVKNOVLNUHB-JKSUJKDBSA-N 465.381 1.763 30 10 JDEE CC(C)(C)OC(=O)NCc1nc(=NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)s[nH]1 2267872880 MFFNDEHCNBDTGP-UHFFFAOYSA-N 462.341 1.326 30 10 JDEE CC(C)(C)OC(=O)NCCc1n[nH]cc1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268713688 ALUPXFUMWGWBHH-UHFFFAOYSA-N 464.357 1.302 30 10 JDEE CCn1cc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)[C@H](OC)C2)nc1B1OC(C)(C)C(C)(C)O1 2282049429 ZENCBXRMBGTDGN-GOEBONIOSA-N 464.372 1.566 30 10 JDEE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282318871 LZPDARDRKOLSOY-AWEZNQCLSA-N 485.416 1.134 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)(CNS(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282508213 SMZOOBRMIYNBEK-UHFFFAOYSA-N 482.408 1.387 30 10 JDEE CC(C)(C)OC(=O)NCC(CO)(CO)NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282559120 HERTXXHIZVNDQS-UHFFFAOYSA-N 484.786 1.617 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@@H]2[C@H]1CO 2282614973 LWPNYWHLQSRWLQ-QILLFSRXSA-N 461.368 1.614 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@H](CO)[C@H](NC(=O)OC(C)(C)C)C1 2282688914 ASFNLYWSIPJXPJ-NVXWUHKLSA-N 463.384 1.672 30 10 JDEE Cn1ncc(CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)c1NC(=O)OC(C)(C)C 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COCCn1cc(C=NNc2nc(SCC(=O)Nc3ccc(OC)c(OC)c3)n[nH]2)cn1 1084034980 CDFGOTDEGQYDAO-UHFFFAOYSA-N 460.520 1.842 30 10 JDEE CC(=O)c1ccc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)c(F)c1 1135915289 GDFUNSKLOVTNHZ-HNNXBMFYSA-N 458.515 1.916 30 10 JDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc2c(c1)C(=O)NCC2 1153895649 AGJUGCIAZIJKOX-IBGZPJMESA-N 454.552 1.742 30 10 JDEE C#CCO[C@H](C)C(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1162989558 KSOVRUBEOINBQL-MRXNPFEDSA-N 452.533 1.312 30 10 JDEE C[C@H]1CN(S(=O)(=O)N2CCN(Cc3cc(C#N)ccc3Br)CC2)C[C@@H](C)O1 1180011068 GILVHNIHKMUFHK-GASCZTMLSA-N 457.394 1.792 30 10 JDEE C=CCn1cc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)nn1 1212242022 SDRAOVJAHKDNJB-HOTGVXAUSA-N 453.590 1.609 30 10 JDEE C#CCN1CCC[C@H](NC(=O)NCCNS(=O)(=O)c2cc(C)ccc2Br)C1 1227987760 XBWDVYYVXBMSSK-HNNXBMFYSA-N 457.394 1.433 30 10 JDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)N1CCN(c2ccsc2C#N)CC1)C1CCCC1 1230510298 HGMCSCVOQBPVQR-MRXNPFEDSA-N 454.622 1.406 30 10 JDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@H](C(F)F)N1CCOCC1 1286368182 PTYBLJQMKGAFKR-GOSISDBHSA-N 457.489 1.346 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1286386931 JYQAJQWFZVRYKI-OAHLLOKOSA-N 459.963 1.894 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1286386998 LWXVYNCHDBYIFU-KRWDZBQOSA-N 490.387 1.626 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286388052 LDLSODJBLVCHKP-GOSISDBHSA-N 459.572 1.876 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1CC1(O)CCN(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1286397300 YZNRJEUOHYUOEZ-HXUWFJFHSA-N 463.648 1.798 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc2n1CCC2 1286411158 ZNJRRTJIVMMUOP-KRWDZBQOSA-N 466.546 1.245 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286427826 NDWSCIDSSMGPQQ-KRWDZBQOSA-N 461.538 1.892 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOC[C@@H]1C 1286818574 YMPIOWWGGURKHZ-HNNXBMFYSA-N 467.979 1.687 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1286819033 XCOFLPUQVWPSAB-UHFFFAOYSA-N 460.482 1.627 30 10 JDEE Cc1nnc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)s1 1290691791 GZACHAKPNLYDAL-HNNXBMFYSA-N 458.935 1.799 30 10 JDEE COc1cc(C)cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)c1 1299828538 HWGCLJUJVLUITA-APWZRJJASA-N 462.576 1.572 30 10 JDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1300357672 UNVWVROOHKIIMD-QGZVFWFLSA-N 476.603 1.917 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1300484432 RYKFYYCQYDDNTF-PGRDOPGGSA-N 493.655 1.873 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300495381 GWVGYFGPAXMYCH-BLIXFSHQSA-N 498.527 1.859 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300497956 FJWVZFAOPCMTNS-WIYYLYMNSA-N 471.627 1.987 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300502763 WUZBMALWZRDYMP-QGZVFWFLSA-N 464.617 1.129 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCNS(C)(=O)=O)CC1 1300718197 FHSJNXYLJRJRLP-UHFFFAOYSA-N 486.642 1.758 30 10 JDEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1300733390 JTWHHNVSHAZZBE-JOCHJYFZSA-N 473.002 1.944 30 10 JDEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1301221186 IKCMYIXIXZAPRE-KRWDZBQOSA-N 450.565 1.778 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(c2nccs2)CC1 1301223559 XXEUSTQUMFWIEI-QGZVFWFLSA-N 481.648 1.750 30 10 JDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCC(O)CC1 1301273343 QUDDLNFDSVRMRJ-KRWDZBQOSA-N 462.620 1.516 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1301479206 WDOHCHDHJHJHPV-QGZVFWFLSA-N 468.562 1.216 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1301493117 UWJDJFPIZZTQEN-INIZCTEOSA-N 472.546 1.932 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCC(C)CC2)C1 1301555502 CIWWSPPVMYNAOU-WOJBJXKFSA-N 482.651 1.124 30 10 JDEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1301610236 TZJNTZURAPBPAJ-UHFFFAOYSA-N 469.615 1.839 30 10 JDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1358915633 KTENUINHDMVEDG-QHCPKHFHSA-N 483.598 1.888 30 10 JDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1358918788 HNKVMFZLFYZAIU-VQTJNVASSA-N 457.623 1.647 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358958349 MLEUDPDQWJJGJZ-OAHLLOKOSA-N 465.963 1.322 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358966649 SZRXRRROOPICFF-IAGOWNOFSA-N 477.612 1.321 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2cccc(Cl)c2n1C 1358985077 OJWSPVBILZDORC-OAHLLOKOSA-N 473.990 1.940 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nnc2n1CCCCC2 1358994105 FFRITERGOTWFNK-GOSISDBHSA-N 455.588 1.204 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1359040382 SAKLWPFRUHAJDR-ICSRJNTNSA-N 458.607 1.977 30 10 JDEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1359201831 AYECJNOIEUKEEH-LJQANCHMSA-N 465.558 1.982 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CS(C)(=O)=O)c1 1359272674 YUCQLKJJJGIAHI-IBGZPJMESA-N 464.613 1.952 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1359352980 NXTUXFQURBNOQZ-MBOBHEEDSA-N 471.562 1.146 30 10 JDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)C2)cc1 1478597684 AUIPLEXYQOKHTG-OAQYLSRUSA-N 456.524 1.723 30 10 JDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccnc(OCC(F)(F)F)c2)CCO1 1505320928 AFECQGZYWGBDFL-HNNXBMFYSA-N 465.436 1.627 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1507630147 UJFAKOAKCMEXIH-IAGOWNOFSA-N 480.587 1.678 30 10 JDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1507637560 BQBBSDSLISTZDE-RTBURBONSA-N 459.547 1.892 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCN2CCCS2(=O)=O)CC1 1507735802 HMTHLJUDASPJID-QFIPXVFZSA-N 498.653 1.821 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCN2CCOC[C@@H]2C)CC1 1507743007 VKDKIOLJJWPWSK-FQEVSTJZSA-N 480.613 1.564 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCCNC2=O)CC1 1507781670 FUULVBZXYNUPOV-AWEZNQCLSA-N 452.357 1.522 30 10 JDEE C=C(Br)Cn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507793331 QAZZXPJENLBMNC-NRFANRHFSA-N 499.454 1.874 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1508073914 ZHAOYRSVDOCDGF-UHFFFAOYSA-N 461.567 1.310 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNC(=O)c2cccc(O)c2)C1 1508109597 UJYKULKIIGCSLS-FQEVSTJZSA-N 468.558 1.821 30 10 JDEE C[C@H]1CCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1512120818 AYTMZQZGOIXBAQ-HRAATJIYSA-N 462.576 1.265 30 10 JDEE CCN(C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1)S(C)(=O)=O 1515450950 GSCHWQSGRKEFEP-UHFFFAOYSA-N 489.602 1.067 30 10 JDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)CC1 1515489118 GVWJMJBOHXGSQL-DEOSSOPVSA-N 483.642 1.675 30 10 JDEE CCN1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1515855878 CTKROJOGTXEUFO-HXUWFJFHSA-N 457.604 1.773 30 10 JDEE C=CCSCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1521640234 OSRVWLDKORTGHF-UHFFFAOYSA-N 455.602 1.193 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCOCC2)CC(OCC)C1 1538964364 JCUOWXDWOVEVDS-BHWOZTKKSA-N 467.574 1.653 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1cn2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 1539202524 JGVYPZICZKEZLO-HXUWFJFHSA-N 497.625 1.714 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccnc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1539215597 GPEQQZNJTKDIGF-MRXNPFEDSA-N 479.488 1.767 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1539224229 DHUQMOYNUGPLGZ-IBGZPJMESA-N 465.583 1.400 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1539446319 BKVKNZXSXYTDQD-SFHVURJKSA-N 489.598 1.010 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1539480889 FXTZAAKPSHSFLU-QFIPXVFZSA-N 478.597 1.692 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC[C@@H]1NC(=O)NC1=O 1539655449 LZRMIBXWAGJMGT-KRWDZBQOSA-N 460.560 1.739 30 10 JDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1540078084 YKGFONJVNCGXCL-IAGOWNOFSA-N 484.623 1.490 30 10 JDEE C[C@@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1541878493 BYZNDUNCCFWDJY-RXVVDRJESA-N 472.615 1.798 30 10 JDEE CCN1CCN(CCCn2c(-c3nn(C)c(=O)c4ccccc34)nnc2N(C)[C@H](C)CC#N)CC1 1547734456 FQDMJAJQFJYGFL-LJQANCHMSA-N 477.617 1.958 30 10 JDEE COCCNC(=O)[C@H]1CN(C(=O)NCCOC)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548368050 MWFCRKBZDYHHKQ-QGZVFWFLSA-N 457.453 1.186 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C(=O)N(C)CC)C(C)C)nnc12 1558985317 XYLJBJUVMUFZGL-SFHVURJKSA-N 456.572 1.941 30 10 JDEE C=CCN1CCC(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)CC1 1585284155 HINZOCYFEOMBMS-OAQYLSRUSA-N 451.589 1.917 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1588053416 FDCHTPKSZIDSAI-KSZLIROESA-N 487.582 1.332 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1588053866 IPYDWGSSLCBUJW-PBHICJAKSA-N 465.938 1.697 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CCN1CCCS1(=O)=O 1588104834 AESFMUDSUCEZPT-UHFFFAOYSA-N 462.373 1.816 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCN1CCCS1(=O)=O 1588473665 QZBSJKWZCYDNGE-UHFFFAOYSA-N 462.551 1.231 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCN(C)[C@@H](C)CC)CC1 1588813180 WEFXVTGLJFUJGL-NRFANRHFSA-N 465.650 1.938 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1588975984 OLLJBAIJSXXPAS-UHFFFAOYSA-N 472.619 1.688 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CC)CCC2)C1 1595730924 ZVPOVBBUPXGDBM-ZWKOTPCHSA-N 453.609 1.973 30 10 JDEE C=CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1595849568 BJIMLBVEAHLPBH-OAHLLOKOSA-N 478.525 1.613 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCc1ccncc1 1611704390 ABCBFZUEJRXEHK-QGZVFWFLSA-N 481.586 1.119 30 10 JDEE C=CCN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)CC(=O)OCC 1615332897 VFOVISBWZFSMTJ-UHFFFAOYSA-N 459.952 1.351 30 10 JDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN(CC(=O)N4CCCCC4)CC3)CC2=O)cc1Cl 1624616775 GYQVCDLFGVFLLV-GOSISDBHSA-N 457.962 1.721 30 10 JDEE C#CCN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C1CCN(C(=O)OC(C)(C)C)CC1 1634814332 PKCHTXDLGJSSPM-UHFFFAOYSA-N 455.515 1.107 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1689978306 RSZNABKODXHSPN-FQEVSTJZSA-N 476.647 1.407 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CC1CCN(CCN(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1689992762 OLPKLUGBJGNGET-QHCPKHFHSA-N 499.685 1.164 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOCC2CCOCC2)CC1 1690375380 JGPPTUCEBCJFQX-FQEVSTJZSA-N 483.635 1.601 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)c2ccco2)CC1 1690375848 VTAHTMJLGLSZBF-OXQOHEQNSA-N 451.549 1.268 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1690465338 XXOUNVJTXKCLNT-SFTDATJTSA-N 496.678 1.516 30 10 JDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1690649738 QKZVIWRBZZDINV-UHFFFAOYSA-N 468.587 1.836 30 10 JDEE N#Cc1ccc(CN2CCN(c3nnc([C@H]4CCOC4)n3CC(=O)NCC(F)(F)F)CC2)cc1 1698487868 DBGGUCUUVPTXII-SFHVURJKSA-N 477.491 1.654 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1cnn(C)n1 1705607093 PRRWWQPAVOJCAB-UHFFFAOYSA-N 456.576 1.416 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cnn(C)c1 1705627199 YMJBCAWCSUKXRU-UHFFFAOYSA-N 460.542 1.933 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2(N3CCCC3)CCOCC2)CC1 1705652662 IBDXPGBUNCKVOO-UHFFFAOYSA-N 458.607 1.425 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC(=O)N(CCOC)C1 1705676635 IUSWJPVIJRINKT-GAJHUEQPSA-N 470.599 1.757 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705706453 VDGHCSDYSQTMRP-URXFXBBRSA-N 467.618 1.892 30 10 JDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1705720519 CRYYFPKEOWDBID-IXDOHACOSA-N 494.618 1.217 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1705735885 XUZRJZFIVLSXSR-HXUWFJFHSA-N 456.595 1.494 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1705928125 LOUVDLZNHGYDKZ-LJQANCHMSA-N 477.562 1.832 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1705937005 FGGOAKHQDJPDOR-UHFFFAOYSA-N 460.604 1.559 30 10 JDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C1 1712689942 BANHUDIAYFLCQD-FQEVSTJZSA-N 489.598 1.674 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(Cl)s2)C1 1712705792 AJWWTTSMVQBMEX-GXTWGEPZSA-N 472.980 1.103 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CN(C)C(C)C 1722352964 QZBFLPUMLHUJEG-OAQYLSRUSA-N 474.631 1.569 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NCC 1722380193 HUUGRXMQMWTXFJ-UHFFFAOYSA-N 459.554 1.910 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1722433089 LEVUAEBTNNOTPT-DNQXCXABSA-N 457.575 1.803 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2COCCO2)CC1 1722441864 VWAIJFXQUQKPHW-CEXWTWQISA-N 460.579 1.219 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2csc(C)n2)CC1 1722453500 VGOICGRVTZQPDD-ICSRJNTNSA-N 472.615 1.976 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1722509153 WNVVHFSRMCMRQG-LMMKCTJWSA-N 461.592 1.482 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cnn(C)c1 1722517291 IRUWVPTXQKFUEF-SFHVURJKSA-N 451.597 1.380 30 10 JDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722530935 DWRXVEAAKATIEJ-DENIHFKCSA-N 453.591 1.922 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC(F)(F)F)CC1 1722580312 CZLGBFJYXMGXBH-HNNXBMFYSA-N 467.514 1.940 30 10 JDEE CC(C)[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1723942137 BRYACADEIYORJH-WZONZLPQSA-N 489.646 1.884 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(CCOC)c2)C1 1728680956 FWAYLCMVBDZZNC-HXUWFJFHSA-N 484.586 1.226 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N(C)C)c1 1730763242 DGSDYKPFOVVVOZ-IBGZPJMESA-N 474.587 1.297 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1740620268 CYGMAPMLSTYEQS-SFHVURJKSA-N 469.567 1.976 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1740623134 OXSLXYMGDGESCD-SFHVURJKSA-N 479.628 1.490 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1740624315 HXYHJJLUFJZYCA-UXHICEINSA-N 458.584 1.953 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1740706085 RAQOSFRICCPHDQ-UHFFFAOYSA-N 452.559 1.322 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1740708248 IIOVHCKXWYUTSH-KRWDZBQOSA-N 461.613 1.331 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1740825113 JTRBBVPQVLNPJB-MOPGFXCFSA-N 466.652 1.888 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1740950701 DMHIHFSQATYSGH-GHTZIAJQSA-N 483.621 1.069 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1740952491 GEKKNYFEXNLIAE-LBPRGKRZSA-N 473.397 1.218 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1740953851 STENQEKSGHWDDG-GYCJOSAFSA-N 487.557 1.657 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(O)(C(F)(F)F)CC1 1740960368 QCPMZFSOQOVLOS-MRXNPFEDSA-N 467.448 1.986 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCCc2ccccc2)C1 1740982861 XRJLWFCDGWYBCX-WOJBJXKFSA-N 473.599 1.320 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1740988264 YUHZCYAFNBFLHB-UHFFFAOYSA-N 483.598 1.980 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1740993894 JQGIBFKBDQPZKA-JOCHJYFZSA-N 459.572 1.483 30 10 JDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1741006132 YRJYTNRYQNBKCQ-UHFFFAOYSA-N 469.615 1.745 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(O)CC2)c1 1748692526 ZIVVVHVAUDHBSM-DEOSSOPVSA-N 453.543 1.900 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1748802642 QPYVEUUCPWIONC-MRXNPFEDSA-N 486.504 1.879 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1748810092 RXCVAHBXEMFPBZ-NQIIRXRSSA-N 457.581 1.311 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCO[C@@H]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1748816094 WVKSCHANNPGNAF-CADBVGFASA-N 463.604 1.451 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748825284 XKEBCFYOSJPPPK-XYYCENQHSA-N 480.631 1.832 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCC(=O)NC(C)(C)C)CC1 1749010649 ORGUYVXKWUBUDE-UHFFFAOYSA-N 494.596 1.987 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749127529 NBIWXNCPHVBHEB-APWZRJJASA-N 463.608 1.520 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1(C)C 1749130381 LBJBVPXMJNNTQB-KURKYZTESA-N 453.609 1.971 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccn2)CC1 1749403293 ZAMVYQIUIRHJJS-LJQANCHMSA-N 475.619 1.689 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1749575844 XWJGYVLKTLDPAK-SJORKVTESA-N 492.568 1.674 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1749650114 KECZPAUMUSSGDH-IBGZPJMESA-N 479.585 1.463 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749651045 MMNJUUDHIIBZDD-GOSISDBHSA-N 485.976 1.365 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccsc2)C1 1749713819 ZATYQZMOVNGROG-ZWKOTPCHSA-N 467.617 1.697 30 10 JDEE COCCN(C)CCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 1749769270 FWFRMLCVORADKY-QHCPKHFHSA-N 471.585 1.862 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2CCn2cc(Cl)cn2)C1 1750209207 DCUXPDGYRAAYKV-KRWDZBQOSA-N 482.998 1.291 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CCCC(=O)NC2CC2)cc1 1750383768 BUNSDUDJLBXOMM-UHFFFAOYSA-N 451.531 1.489 30 10 JDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1760157757 ATOXANYZPRLXGU-UHFFFAOYSA-N 495.565 1.782 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1760189267 HATFAFOTVOFELG-HTAPYJJXSA-N 459.547 1.113 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(C)O 1760241482 ASJIZOKVCITXBT-IBGZPJMESA-N 479.578 1.551 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)N1CCOCC1 1760244539 YRHFRROMPNKXLU-HNNXBMFYSA-N 451.369 1.842 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(N2CCCNC2=O)CC1 1760525418 FJKMANVVKATFKE-UHFFFAOYSA-N 458.592 1.320 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(F)F)CC1 1760551149 VGOCZHDFUCPALG-UHFFFAOYSA-N 455.531 1.942 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1760555088 WGXOEVKTOWOIAL-RCCFBDPRSA-N 456.634 1.798 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccco2)CC1 1760556162 WANXZYJRYDKQID-KRWDZBQOSA-N 463.560 1.328 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](NC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1760558501 QLPNNFMHTMCASY-JTSKRJEESA-N 499.634 1.634 30 10 JDEE C[C@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1761361410 HNYBWXPDZXOOHB-SJORKVTESA-N 456.576 1.536 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCC(=O)N(C)C 1761472924 GYGPPSDUBQIMNH-HNNXBMFYSA-N 459.576 1.407 30 10 JDEE CCO[C@@]1(c2nnc(N3CCO[C@H](c4cccc(C#N)c4)C3)n2CCS(C)(=O)=O)CCOC1 1765922557 COINNBHRQNPJOS-UGKGYDQZSA-N 475.571 1.424 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1768292709 HUOHDYQXERJGIO-CJNGLKHVSA-N 472.493 1.912 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccnc2)CC1=O 1769921917 AAAKSMBDMPMGAV-UHFFFAOYSA-N 461.526 1.661 30 10 JDEE CC(=O)NCCCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1858651089 DYVQWTAKIRBDMS-UHFFFAOYSA-N 457.512 1.002 30 10 JDEE N#Cc1ccc(Cn2nnc(C#N)c2NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1870111741 BEVLIALXLFUQBQ-UHFFFAOYSA-N 470.405 1.603 30 10 JDEE C#CCOc1cn(CCCN2CCCC2=O)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1871003599 NKKLCMQCHVSCRK-UHFFFAOYSA-N 458.540 1.132 30 10 JDEE C=CCn1c(C(=O)N2CCN(c3ncccn3)CC2)cc2c(N3CCC(N(C)C)CC3)ncnc21 1873562151 PHNNFKMPJILQIG-UHFFFAOYSA-N 475.601 1.900 30 10 JDEE C=CCn1c(C(=O)N2CCN(c3ncccn3)CC2)cc2c(NCCN3CCOCC3)ncnc21 1875227786 LXXZYDHKGLZAEB-UHFFFAOYSA-N 477.573 1.114 30 10 JDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)CNC(=O)Cc3ccccc3)CC2)CC1 1891147376 HIYKCVYUCCIORN-UHFFFAOYSA-N 454.615 1.382 30 10 JDEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCCC4)C1 1891414499 MUHSCYCZTNYMRK-CABCVRRESA-N 452.540 1.891 30 10 JDEE CN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C1CN(c2nccnc2C#N)C1 1891880559 GNXUXDSEJZGIQE-HNNXBMFYSA-N 458.519 1.235 30 10 JDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1 1892044081 SJTRHWZGKCDNQD-NVXWUHKLSA-N 460.516 1.176 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](O)C1 2197486623 FCBOIXUXLQQUNC-UZUQRXQVSA-N 462.352 1.657 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256595029 GQVWWGWTAYXNCY-ZDUSSCGKSA-N 453.370 1.432 30 10 JDEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267128484 RMIVUVWANPPSFE-CABCVRRESA-N 466.413 1.800 30 10 JDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2267133519 CVXKDQKFDJIWRE-KBPBESRZSA-N 467.397 1.851 30 10 JDEE Cn1cc(C(=O)N[C@@H]2COCC[C@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267171538 LRQYFOMKCCTTGY-UKRRQHHQSA-N 450.345 1.131 30 10 JDEE C[C@@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1Cc1ccccc1 2267347045 KPUPUWTVDLXDKC-MRXNPFEDSA-N 461.397 1.009 30 10 JDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268629786 BFXCXGGVPKKHHI-CABCVRRESA-N 467.397 1.940 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C1(O)CCC1 2268723887 CFOIXMPZNUDWHC-HNNXBMFYSA-N 467.397 1.867 30 10 JDEE Cn1nc(C(=O)N2CC[C@@H](OCCNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2281968278 CRZPWHMJMSCMIB-OAHLLOKOSA-N 464.372 1.475 30 10 JDEE C[C@@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H](C)[C@H]1NC(=O)C(F)(F)F 2282023039 KTMXGMVPKIVXLH-BZPMIXESSA-N 456.274 1.693 30 10 JDEE Cc1ccnc(C(=O)N[C@H]2COC[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282566882 FVIVDMQCZASZLX-CVEARBPZSA-N 461.368 1.959 30 10 JDEE Cc1ccnc(C(=O)N2C[C@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282569118 MYZSCUHOQXFWQB-HZPDHXFCSA-N 461.368 1.789 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)n1 2282628872 QDINSWWJZJCYPH-GASCZTMLSA-N 463.388 1.928 30 10 JDEE CC(C)(C)OC(=O)N1CC2(COCCN2C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2282664591 FJZAGSUFEIFFKA-UHFFFAOYSA-N 459.352 1.843 30 10 JDEE Cn1[nH]c(CCNC(=O)OC(C)(C)C)nc1=NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282674618 MYSWPORGDRKGDH-UHFFFAOYSA-N 477.396 1.917 30 10 JDEE C[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@@H]1CNC(=O)OC(C)(C)C 2282683727 HJLGEDBDWHBHFS-GJZGRUSLSA-N 463.388 1.737 30 10 JDEE Cc1ccc(S(=O)(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2282834779 NBSAWHMXFZULHY-JOCHJYFZSA-N 484.424 1.848 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC[C@H]1CCN(Cc2ccccc2)C1 2282858996 GSRHKSJKJYAXRN-SFHVURJKSA-N 475.424 1.305 30 10 JDEE Cc1nc(S(=O)(=O)N2C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282872608 ZEWJXLGKRMHPIT-UKRRQHHQSA-N 484.428 1.704 30 10 JDEE C[C@H](OCc1ccccc1)[C@@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284418287 WOBRMHKPAWJIPW-WMLDXEAASA-N 479.364 1.056 30 10 JDEE COC(=O)c1ccc([C@H]2C(=C(O)c3ccncc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 2296621739 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C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)CC1CC1)[C@H]1CCS(=O)(=O)C1 1300489560 PBYKUQDFIKCRIB-FQEVSTJZSA-N 487.607 1.268 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1300506349 RAMHIODHHLWQDF-ACRUOGEOSA-N 490.630 1.532 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCn1cc(Br)cn1 1300537372 FZBITNQNNIMPKW-MRXNPFEDSA-N 479.404 1.692 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2nc(C)cs2)n1 1300681234 LLKIXHKXWWCUMF-KRWDZBQOSA-N 454.560 1.525 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@@]2(O)CCO[C@H]2C)n1 1300681606 VNWHUYMOIXQXCO-MBSDFSHPSA-N 451.531 1.363 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(N(C)C)CCCC2)CC1 1300710536 FJVJGKPTDBJKQC-UHFFFAOYSA-N 455.607 1.354 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2F)CC1 1300991890 XKFYGZAOBRLANY-QGZVFWFLSA-N 464.567 1.634 30 10 JDEE C=CC1CCN(c2nnc(-c3noc4c3COCC4)n2CCS(=O)(=O)NC(C)C)CC1 1301120271 MEMXBYOHYZMGQM-UHFFFAOYSA-N 450.565 1.736 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1301258708 YOMPNHJFIGLCCO-WOJBJXKFSA-N 477.635 1.898 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(SC)CCN(C)CC2)C1 1301558356 VEOCXRHUPVKQSE-ZWKOTPCHSA-N 469.677 1.789 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1314674026 FNPGAOVFYTXGHD-UHFFFAOYSA-N 486.602 1.092 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCS(=O)(=O)CC 1358886034 WKZCHXOILVIWSM-INIZCTEOSA-N 456.572 1.958 30 10 JDEE C#CCCCCn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1358917792 BDVWHBVEMJUERX-XMMPIXPASA-N 472.590 1.005 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1358948678 IDLDMGQQEOWCSW-IAGOWNOFSA-N 451.593 1.897 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358955912 WATQKOTWVTVJQS-WMZHIEFXSA-N 477.631 1.472 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(C[S@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1358960979 PKOPQQNFXZLTIC-WEZXKFLESA-N 486.623 1.232 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NC 1358979833 YZDZPQMFTAHYPH-QGZVFWFLSA-N 458.563 1.432 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1358999726 AUHWRKXQZHEPHB-DLBZAZTESA-N 461.592 1.016 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)C(=O)OC(C)(C)C 1359024033 CWRDGEWZXSANQY-KRWDZBQOSA-N 469.608 1.523 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1359030625 ZRGYDXATLFGEHS-NRFANRHFSA-N 471.627 1.515 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1359040162 KGDYEQKWOAWKER-FQEVSTJZSA-N 471.650 1.484 30 10 JDEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1359285581 SUMLURBLPXRPGL-UHFFFAOYSA-N 456.366 1.984 30 10 JDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1359287417 BUACZIPXCJIZQF-RDJZCZTQSA-N 457.622 1.197 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)CC[C@H]2C1 1359293005 DCXKCZVJNFPVBD-AWEZNQCLSA-N 462.352 1.159 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C)C1 1359301479 ZIBRHHSLEIOJBY-JKSUJKDBSA-N 450.540 1.114 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359302791 UPFAUCYCPIEXBT-UHFFFAOYSA-N 482.585 1.255 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC)[C@@H](C)C1 1359332715 FHPDBQZURXWIOC-IBGZPJMESA-N 488.662 1.583 30 10 JDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 1464578558 FJXVPIYPXVAIQW-AWEZNQCLSA-N 457.512 1.333 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)c1 1464997862 PPRYXOAETOPANZ-UHFFFAOYSA-N 458.521 1.440 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CC1(C(N)=O)CCOCC1 1494135581 FGRVGHHBZJFSOC-INIZCTEOSA-N 467.578 1.234 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1507563854 JJXFFKAHLNJHMZ-QZTJIDSGSA-N 471.649 1.092 30 10 JDEE C#CCCCCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@@]1(OCC)CCOC1 1507576613 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KXNMEBYYIBPMFE-UHFFFAOYSA-N 471.953 1.527 30 10 JDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1508079848 DXNUNIOLQLWMOQ-SFHVURJKSA-N 478.601 1.765 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(F)ccc2F)C1 1508123705 JMWSNVLHBKIDJO-HKUYNNGSSA-N 483.541 1.719 30 10 JDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1508160747 IQHDDCRVAINDCW-QGZVFWFLSA-N 482.632 1.731 30 10 JDEE COC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CC1 1517692188 IEVZHXUSKFRQCN-LJQANCHMSA-N 472.571 1.918 30 10 JDEE CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOC2=O)C1 1519515485 CFEHNQRETGKVQX-SFHVURJKSA-N 474.543 1.194 30 10 JDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1539079223 PWFSHYLZUONSAU-SFHVURJKSA-N 452.563 1.602 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCCC1=O 1539240136 XXRJWLZOPWDCIV-GOSISDBHSA-N 468.583 1.132 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1539482655 NVDKFROOCAYWBM-UHFFFAOYSA-N 475.528 1.516 30 10 JDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)cs2)CC1 1539578858 CSSDBCQMMCWCCK-CYBMUJFWSA-N 490.453 1.888 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1539981254 DYJWCPQAGDCHIC-RBUKOAKNSA-N 453.657 1.459 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1540029437 QRNIFYSDCUBEGU-KRWDZBQOSA-N 461.544 1.582 30 10 JDEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1540037718 PTMZIEZQRVRJJU-UHFFFAOYSA-N 472.565 1.774 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N1CCOCC1 1540180719 TWJQMSFPBKSLKD-FQEVSTJZSA-N 473.599 1.274 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1540858468 XXSRAWSICNQLQH-QZTJIDSGSA-N 489.602 1.356 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540865480 IEZCSTUFZHYKAJ-AWEZNQCLSA-N 497.419 1.480 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCOc2ccc(S(C)(=O)=O)cc2)C1 1540889378 KOQKNWHZDSCKHJ-GOSISDBHSA-N 470.555 1.999 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1540904082 IXCOFLDTBSKETQ-GOSISDBHSA-N 470.592 1.622 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1540906886 FVTMVKOUFXEIED-JOCHJYFZSA-N 475.571 1.797 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1540907136 MFGKQRKQDMTQKL-UHFFFAOYSA-N 482.628 1.780 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1540944066 UBJXGEQJXLHQKM-CWJYSFMFSA-N 478.557 1.095 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)C1 1540946607 FVVZGDAKPCMYIX-QFIPXVFZSA-N 481.601 1.756 30 10 JDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOC1=O 1541124007 BPQYODMUDQSWKI-JKSUJKDBSA-N 460.560 1.917 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1(CS(C)(=O)=O)CC1 1541680916 HAUJEWRJYKZCNV-IBGZPJMESA-N 486.598 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UMSJMQJAJQGIQY-AABGKKOBSA-N 463.648 1.919 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccn(CC)c1=O 1588595708 ZAPODZXRHXGEQA-UHFFFAOYSA-N 469.567 1.665 30 10 JDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCOC[C@H]1C 1588628976 SBODJBNHLWJKFK-MSOLQXFVSA-N 460.604 1.997 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1588983866 CTSSIOWJHPDDSZ-CQSZACIVSA-N 464.573 1.726 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCn2cc(Br)cn2)CC1 1594013750 JYFSVUPKUCVWDI-CYBMUJFWSA-N 458.386 1.704 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1594812036 BQSDQQALRYTNOR-FHWLQOOXSA-N 470.640 1.123 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1595797992 KUZCFUAYULBFDF-IAGOWNOFSA-N 460.622 1.524 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1595798031 LMUFHAKNODRTTN-XMSQKQJNSA-N 494.639 1.533 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(c2cnn(C)c2)CC1 1595805286 MSJBCHMLLOUGRX-UHFFFAOYSA-N 469.615 1.838 30 10 JDEE CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H](C)C1 1596234224 AXRAHKUYGFFNHK-MSVBSMQLSA-N 469.571 1.514 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1610269902 HTBNRZAMYCHMTH-VGOFRKELSA-N 474.587 1.529 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)CC1 1660418143 VYFKXQADTPFNPY-UHFFFAOYSA-N 455.540 1.234 30 10 JDEE Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)CC2)cn1 1679245600 CPVRPADPTYEUCJ-UHFFFAOYSA-N 457.560 1.235 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCS(=O)(=O)C2)c1 1689870354 LFBJHPSSMZNCOO-QGZVFWFLSA-N 467.555 1.170 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1CCN(C2CC2)CC1)[C@H]1CCS(=O)(=O)C1 1689977819 DLMNODJGJSGXIH-NRFANRHFSA-N 490.674 1.698 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCN1CCCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689984089 KZFAQKLJNDSMAV-PMACEKPBSA-N 475.615 1.974 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689989051 ARNGCGOKWLRGQH-FGTMMUONSA-N 481.619 1.712 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1ncnn1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689993243 YXPICKOZXJUJNN-IBGZPJMESA-N 453.572 1.732 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1689998303 INFOEILMMWANDZ-ZOBUZTSGSA-N 484.529 1.269 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1CCNS(=O)(=O)Cc1ccon1 1690041038 XVFYMUUKMIOOFU-UHFFFAOYSA-N 463.523 1.387 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C(F)(F)F)c2)CC1 1690112162 QNKPGHFFPNJWMA-HNNXBMFYSA-N 470.521 1.711 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1690129493 ZBAGPYNWTWNMIU-UHFFFAOYSA-N 471.491 1.940 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1690243372 JZTKZPNZZNVQKY-HKUYNNGSSA-N 463.608 1.425 30 10 JDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690417062 CMCJFLANBHINFC-HSZRJFAPSA-N 457.579 1.931 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1690509195 ZIMYDKICDKNGSX-KRWDZBQOSA-N 469.608 1.830 30 10 JDEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1690634710 ORFRMDZJTNTYFD-MRXNPFEDSA-N 452.968 1.810 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H](COC)OC)C1 1690696772 ISBBSSDDVTUITN-IAGOWNOFSA-N 454.531 1.635 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1690725566 UTGTXKUMNVYCRK-KRWDZBQOSA-N 465.963 1.764 30 10 JDEE C=CCS(=O)(=O)CCn1c(Nc2ccn(C)n2)nnc1-c1cccc(S(=O)(=O)N(C)C)c1 1690731521 KQRNQKJZQRBFJH-UHFFFAOYSA-N 479.588 1.273 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCc1ccc(O)cc1 1692533646 BRLICUWUIUZUOH-QGZVFWFLSA-N 475.557 1.741 30 10 JDEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CS(C)(=O)=O)CC1 1695898881 GGHYNKYKFNZYRB-LJQANCHMSA-N 473.647 1.714 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCC2=O)CCO1 1696961848 DTJKZESRHSVJKV-LJQANCHMSA-N 451.531 1.171 30 10 JDEE C#CCN(c1nnc([C@@H](C)CC)n1CC1CCN(C(=O)OC)CC1)[C@H]1CCS(=O)(=O)C1 1705560455 KTPGWUBQVBGNRV-WMZOPIPTSA-N 451.593 1.897 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1n[nH]c(C)n1 1705574512 FXJKUGGHYBPPFQ-UHFFFAOYSA-N 451.560 1.289 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1705621813 PEZMOMSZETVXLX-MRXNPFEDSA-N 457.535 1.925 30 10 JDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1705622012 VALWDZNSFFXGSY-NSHDSACASA-N 497.931 1.428 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)COc2ccccc2OC)CC1 1705638156 ARAVMXJWSYXAOD-MOPGFXCFSA-N 452.559 1.708 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC(=O)N(C)Cc2ccccc2)CC1 1705649480 ZJVMBLVADVVDQZ-UHFFFAOYSA-N 473.581 1.908 30 10 JDEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705660789 GPFUFTANSXQXCX-UHFFFAOYSA-N 488.564 1.441 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCOCCS(C)(=O)=O 1705677612 VSPCSDAPRGSQGA-HXUWFJFHSA-N 465.601 1.323 30 10 JDEE C=CCn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705893346 DEUSYDIYWHHXHE-CALCHBBNSA-N 475.594 1.408 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1705895652 NZILDLUHODRPSK-OAHLLOKOSA-N 472.546 1.236 30 10 JDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1709937917 DKGRFVVDMABWJV-HXUWFJFHSA-N 472.615 1.941 30 10 JDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1711456011 GMUXDZNGGNRJIP-ROUUACIJSA-N 473.555 1.553 30 10 JDEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)NCc2ccccc2)CC1 1712882340 DSFLBUMZHAKTCV-IBGZPJMESA-N 456.572 1.627 30 10 JDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1722344681 RRXHPFQBYRELEQ-XMMPIXPASA-N 452.559 1.348 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1722358401 BFKOEIBWRIEUNE-SFHVURJKSA-N 471.583 1.626 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1722364652 IUSIMZNTMQTBDK-FQEVSTJZSA-N 477.631 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1.825 30 10 JDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCn2c(nc3c2CCCC3)C1 1540019625 BVUBCGXUPNFFOY-INIZCTEOSA-N 463.608 1.577 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(O)c2)CC1 1540035892 IDJOJLHWRHIDFN-SFHVURJKSA-N 461.588 1.805 30 10 JDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1540040438 TXNKMEOBYBTECX-UHFFFAOYSA-N 456.576 1.813 30 10 JDEE C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 1540845757 GEXXBPVAMQTHMA-IAGOWNOFSA-N 450.561 1.214 30 10 JDEE C=CCn1c(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)nnc1[C@]1(OCC)CCOC1 1540860990 XJZBZRFNQLATFL-QHCPKHFHSA-N 460.579 1.057 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(=O)NC)C1 1540869385 KXKATKYXXGATFR-KRWDZBQOSA-N 492.584 1.501 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1540875318 HUAZCDAEVYZJIG-ZWKOTPCHSA-N 457.487 1.672 30 10 JDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1541364263 DIMGHGFDBWBRJS-IAGOWNOFSA-N 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C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OCCN(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1588074750 QUZZBXRFVXHNCU-IFMALSPDSA-N 487.626 1.745 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nc2c(s1)CCCC2 1588646115 GVFFYGRCNODMPU-INIZCTEOSA-N 463.629 1.844 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)CC=C)CC1 1588865640 ZHGYRENKRCDGOR-UHFFFAOYSA-N 454.556 1.085 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(OC)c2)CC1 1595405295 HVDFIOIGLHPMAO-IBGZPJMESA-N 462.576 1.132 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1595522772 JZPIIWLJPCYDDR-UHFFFAOYSA-N 457.554 1.377 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCCS2(=O)=O)C1 1595680165 HEQGROSONXRBJA-HNNXBMFYSA-N 485.408 1.853 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)CC1 1596250935 XOUOYLZJMAYOGW-UHFFFAOYSA-N 465.558 1.704 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@H](C)C1 1610312910 FJMSPHDCMJWUET-MRXNPFEDSA-N 464.617 1.998 30 10 JDEE 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C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1705645877 IBACLPIFHHMXOG-CVDCTZTESA-N 497.596 1.980 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)CC1 1705650948 DQURPMZWSWLLOA-UMSFTDKQSA-N 480.594 1.606 30 10 JDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705762339 VOOIGIXSSVYBRA-JYJNAYRXSA-N 452.943 1.521 30 10 JDEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 1705819653 QXGDJHBYNPVSBT-MOPGFXCFSA-N 478.594 1.894 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(=O)NC 1705868190 FAXKFUZXHQQFDS-KRWDZBQOSA-N 496.659 1.637 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Nc2ccccc2Cl)CC1 1705897306 KBJUBOYODIHQNS-HNNXBMFYSA-N 496.037 1.925 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1705905727 FDMLITCMNQXIFM-IBGZPJMESA-N 452.563 1.148 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC2CC2)C1 1705936682 WMHIKDOFBGFMAW-MSOLQXFVSA-N 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C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1748752528 YQFATYDGBKHQID-UYAOXDASSA-N 464.636 1.335 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1748821884 VWXRKTNPSDGGLD-QGZVFWFLSA-N 475.596 1.243 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CCc2n[nH]c(C)n2)CC1 1748999752 DZAMJYATSLHKKZ-UHFFFAOYSA-N 450.547 1.680 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(O)CCSC2)CC1 1749001609 XTCFUSLOUBNRJT-JOCHJYFZSA-N 462.620 1.030 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2CCN(C(=O)OC)CC2)CC1 1749010416 RNQUORQVUXOACY-FQEVSTJZSA-N 472.590 1.616 30 10 JDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749456675 JVSQWDPPZTYQQR-IBGZPJMESA-N 455.563 1.933 30 10 JDEE COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1749500344 CJKQPADBDKJPKJ-GCJKJVERSA-N 475.571 1.141 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1749609287 LTRHVCXRESINJI-UHFFFAOYSA-N 453.590 1.395 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1749656020 XQUVKOWABNBRLX-IBGZPJMESA-N 471.993 1.644 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)NC(C)(C)C 1749738718 VWMIXJMAUQYFAV-UHFFFAOYSA-N 451.597 1.091 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOc2ccc(Cl)cc2)C1 1750211006 BDLWUGNAPWHMFO-YLJYHZDGSA-N 498.968 1.785 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1760180720 JWHZJYXEISSABA-AUSIDOKSSA-N 489.598 1.399 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CCCN(CC)S(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1760185331 VLQUVZYJMNCLMX-LJQANCHMSA-N 493.655 1.552 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1760187058 HDFUDHUDZRGXOV-OALUTQOASA-N 471.583 1.497 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1760189383 OSFAKXAOUZGRRO-HNNXBMFYSA-N 463.560 1.448 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(COC)cc1 1760219294 AGXGGPFIRHPYOB-NRFANRHFSA-N 471.583 1.269 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2F)n1 1760252561 PNWFAGGRWGNSTP-IBGZPJMESA-N 486.573 1.850 30 10 JDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760301567 DYMJIJCBPCECFP-ZIAGYGMSSA-N 471.356 1.383 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1760358196 SHAARQZRAQHRNZ-HXUWFJFHSA-N 474.606 1.315 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1760374005 GWTWAOQSFYYONS-KRWDZBQOSA-N 484.966 1.951 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1760413171 ZQGURFUHJYRZRE-QZTJIDSGSA-N 487.692 1.890 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCC[C@H](C)C1 1760495395 NCWKVMQBPWTGKU-UFYCRDLUSA-N 466.652 1.910 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)C1 1760535359 PJGCHUIMHHLCIN-BRWVUGGUSA-N 486.639 1.925 30 10 JDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)C[C@H]1C 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WOAJBVNSUZKKGE-INIZCTEOSA-N 451.373 1.813 30 10 JDEE CC1(C)OB(c2ccccc2S(=O)(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2267372914 WBDYDDRMEXNLHL-GOSISDBHSA-N 462.299 1.817 30 10 JDEE C[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C1CN(C(=O)OC(C)(C)C)C1 2267378124 JUQGWBOEQGUJKP-CYBMUJFWSA-N 470.401 1.253 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1CO 2267541294 BPXRRGXPSONHHT-HIFRSBDPSA-N 467.397 1.790 30 10 JDEE CC(C)(C)OC(=O)N1CC(ONS(=O)(=O)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267728079 OMVBKIHEKPWYRA-UHFFFAOYSA-N 468.381 1.956 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268628572 JOUKOSLRNCHRSD-ZIAGYGMSSA-N 467.397 1.676 30 10 JDEE CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]1CCO2 2281976658 FBDDZISFKNMEBK-RCDICMHDSA-N 462.356 1.465 30 10 JDEE Cc1c(C(=O)NC[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281988111 HVTDJGJSCTXOQR-OAHLLOKOSA-N 466.363 1.963 30 10 JDEE Cn1cc(C(=O)NC23COC(CNC(=O)OC(C)(C)C)(C2)C3)nc1B1OC(C)(C)C(C)(C)O1 2282038831 NJRUJTNVUAGZJF-UHFFFAOYSA-N 462.356 1.275 30 10 JDEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282051306 SLPQBQVNFPIMCI-OAHLLOKOSA-N 465.331 1.886 30 10 JDEE CC1(C)OB(c2cncc(S(=O)(=O)NC[C@H]3COCCN3Cc3ccccc3)c2)OC1(C)C 2282352812 QXFSCNJTVYOLDL-FQEVSTJZSA-N 473.404 1.560 30 10 JDEE COC[C@@]1(NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN(C(=O)OC(C)(C)C)C1 2282551877 GPFNWJWJTNYREC-JOCHJYFZSA-N 464.372 1.475 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@]2(CNC(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)C[C@H]1CO2 2282667093 NRRFXLQWUKYKQH-WNSKOXEYSA-N 459.352 1.889 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282832730 BVXLEDWOKXKVTE-JLSDUUJJSA-N 479.408 1.915 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@H]1CNC(=O)OC(C)(C)C 2282850560 QNKCKRSILZQPOX-SOUVJXGZSA-N 482.412 1.253 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)C1CS(=O)(=O)C1 2284124799 IAKDBMQLVVOSCV-MRXNPFEDSA-N 481.380 1.257 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)n1 2334269779 ZLFDFBBQTKBBPG-AEGPPILISA-N 468.385 1.005 30 10 JDEE CC(C)(C)OC(=O)NCCS(=O)(=O)CCOc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2335876248 FLAYWWGTLUDLIZ-UHFFFAOYSA-N 470.397 1.886 30 10 JDEE C=CCn1c(=O)[nH]c(O)c(C2=NN(C(=O)CC)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c1=O 101764744 HYDUGRPOEAZEAC-CQSZACIVSA-N 458.471 1.542 30 10 JDEE C=CCc1cccc(/C=N/Nc2nnc(Sc3nc4c([nH]3)c(=O)n(C)c(=O)n4C)[nH]2)c1O 105376952 FNFKVZBCHAOKBB-AWQFTUOYSA-N 453.488 1.110 30 10 JDEE CON[N+](=O)CC(=O)N1[C@@H](C)CN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 585088844 ATOZCBARHKRNJP-YWZLYKJASA-N 478.507 1.668 30 10 JDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1 745339223 OAJATRMPSQDHCI-UHFFFAOYSA-N 466.538 1.360 30 10 JDEE COc1cc2c(cc1OC)CN(C(=O)CSc1nnc(NN=Cc3cccc(O)c3)n1N)CC2 1084271591 DXROWAPSEQVFCO-UHFFFAOYSA-N 483.554 1.838 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)NC1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1230747333 ZIJHLOGBLAHBQE-MRXNPFEDSA-N 457.618 1.516 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1286348889 ATLIEJHZFYUYSU-KNQAVFIVSA-N 477.562 1.261 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2OC)CC1 1286349144 FEKVMEDDIYNCFM-HXUWFJFHSA-N 457.600 1.924 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCOCCCO)[C@@H]1CCS(=O)(=O)C1 1286388475 PRTBSZDHRMBAON-MRXNPFEDSA-N 453.952 1.019 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCNC(=O)OC(C)(C)C 1286447191 KEWTTYOETICIFF-QGZVFWFLSA-N 484.623 1.375 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCOCC1 1286466957 MKIINQQBSITEJO-VQTJNVASSA-N 492.621 1.393 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCS(=O)(=O)C2)n1 1286470728 BOYVVRRFQURDBO-FPOVZHCZSA-N 490.630 1.827 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1286663868 QSTGBAQHMMHBFJ-UFYCRDLUSA-N 465.620 1.995 30 10 JDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286665706 CGHHFUBTKYQLEO-UHFFFAOYSA-N 454.579 1.839 30 10 JDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286718832 UDGJKNFXLGDRIV-HNNXBMFYSA-N 453.590 1.252 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)nc1 1286745819 IJHVXISKBMAGNW-LJQANCHMSA-N 466.567 1.915 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)COC)CC1 1286796883 PHIOUMLOCPVNLH-UHFFFAOYSA-N 468.558 1.422 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCn2nc(C)nc2C1 1286824047 UMSGRTWIKOMZKM-UHFFFAOYSA-N 457.560 1.686 30 10 JDEE CN(CCN1CCOC(C)(C)C1)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1298727231 DETQBSRGZVEZAG-UHFFFAOYSA-N 472.615 1.941 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccnc1)C(C)C 1300309280 SLXKXAUYHOZCHR-DFQSSKMNSA-N 460.604 1.904 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1300381442 RMUNUDLSMNRCHD-HNNXBMFYSA-N 462.576 1.602 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCOC2)CC1 1300716871 UAADIAGVSXKLET-YADARESESA-N 459.591 1.711 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(F)(F)F)CC1 1300718715 VKKPDQCPAKHOCK-UHFFFAOYSA-N 469.489 1.877 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H]2C[C@H]3COC[C@H]3N2C(=O)OC(C)(C)C)CC1 1300725916 GESKGYVTLNUAFJ-SLFFLAALSA-N 486.617 1.831 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCNC(=O)c2cccc(O)c2)CC1 1300729426 ZJLHNHNPGSFMEH-UHFFFAOYSA-N 464.570 1.722 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1301489755 BHRWFTJOKVALHP-DYESRHJHSA-N 486.020 1.890 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCSC2)C1 1301557682 QXUXQQTWPGUGFD-BBWFWOEESA-N 457.622 1.145 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)OC[C@H]2C1 1301578000 WSVNBNJDUACZCJ-OAHLLOKOSA-N 477.543 1.204 30 10 JDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 1302429440 GOIGUANHXCGIAZ-WBVHZDCISA-N 498.531 1.962 30 10 JDEE CS(=O)(=O)N1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C(F)(F)F)C2)C1 1302467661 BNXFGDAXEBZBTL-WBVHZDCISA-N 484.504 1.866 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)c1cccc(OC)c1 1305789593 FMAJDAZPJDBJEY-LJQANCHMSA-N 469.546 1.364 30 10 JDEE C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)CC1 1307649628 GRARONRJLAAEGF-GOSISDBHSA-N 458.584 1.281 30 10 JDEE COc1ccc2c(c1)CCC[C@@H]2Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1315541505 HVECKJYZDJZOGI-KVSKMBFKSA-N 474.587 1.746 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1316533184 GVWLSNOTHPQDFN-KRWDZBQOSA-N 498.531 1.848 30 10 JDEE CC(=O)N1CCC(NC(=O)COC(=O)CSc2nc(O)cc(C(F)(F)F)c2C#N)CC1 1322451030 WCUWMJRDHQUBIM-UHFFFAOYSA-N 460.434 1.440 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(OCC)n2)CC1 1358920093 RVTYQDKCNYNBRK-KRWDZBQOSA-N 461.592 1.422 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358959124 CECTUHUYGJAISW-NRFANRHFSA-N 480.594 1.892 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358961089 RICKMJDDEOKWPR-XQFWAAQXSA-N 473.647 1.816 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(CC)(CC)OC)[C@H]1CCS(=O)(=O)C1 1358966028 GNQLPHNNCLIHIZ-KRWDZBQOSA-N 451.593 1.232 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccco1)N1CCCC1 1359009907 BKDCLPKSMGHNKR-UYAOXDASSA-N 476.603 1.501 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2F)n1 1359028438 RXLVAKCJGXLMMW-HXUWFJFHSA-N 451.506 1.899 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc3cccnc23)CC1 1359040607 BJZXLVQTQIPXIO-QGZVFWFLSA-N 495.609 1.451 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1359048502 SPVAGIWZNLQDLL-UHFFFAOYSA-N 497.672 1.059 30 10 JDEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359056259 BLCGFMMSFPUFKJ-QZTJIDSGSA-N 492.646 1.710 30 10 JDEE C#CCSCCn1c(N2CCO[C@](C)(c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1359062752 RHCAWSGBLYYXKO-FCHUYYIVSA-N 460.604 1.782 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1359085006 YMAMNNPLHFEUAJ-QEJZJMRPSA-N 478.413 1.381 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1359128387 SKQMXVUFAJYBLV-RTBURBONSA-N 491.570 1.902 30 10 JDEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359210074 JBZXTTMBRRSXKO-AWEZNQCLSA-N 489.374 1.829 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1359295808 OEROBBGMBOBPKF-LJQANCHMSA-N 473.025 1.900 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1359304625 DGYOKUZJIYMWRP-DEOSSOPVSA-N 481.557 1.653 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359330820 DQJAGOCYJNIHET-UHFFFAOYSA-N 492.602 1.301 30 10 JDEE C[C@H](CC(=O)N(C)Cc1ccccc1N1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 1465065101 DYXNRDZPBCIQJU-QGZVFWFLSA-N 456.568 1.999 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(OC)OC)c1 1507539453 VZVPYZQDIWIRBO-QFBILLFUSA-N 477.587 1.409 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507625819 BCTGEZYZRAKAGD-MRXNPFEDSA-N 482.965 1.906 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCOc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1507632059 IQHVAGNSZXCEFL-PXNSSMCTSA-N 487.582 1.334 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1507633287 FMXFAEDPKMXODI-MRXNPFEDSA-N 475.525 1.456 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1507637422 AUGNVZUVXZSEET-HXUWFJFHSA-N 470.599 1.142 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1507741435 SPXAMOWVEBNSGL-UHFFFAOYSA-N 473.647 1.015 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC[C@@H]1CCOC1 1507773554 SZCKEOGNXJTWTO-NNMXDRDESA-N 481.619 1.046 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)=O)CC1 1507798730 UEBUBAOVEXKBNW-TZIWHRDSSA-N 473.599 1.998 30 10 JDEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1507876484 IYUVOTUZZAPJCZ-UHFFFAOYSA-N 494.017 1.958 30 10 JDEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@H]1C 1507964859 MQQFJSVKZLWLKM-MSOLQXFVSA-N 478.594 1.846 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCN1CCN(C(C)=O)CC1 1507996184 GWDJYJPIOKGZFB-UHFFFAOYSA-N 490.612 1.742 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COc2ccccc21 1508021066 RCHRWXMQSFPMTM-XLIONFOSSA-N 459.572 1.966 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)N(C)C)cc1 1508038817 KWFXESVEGRWMCD-SFHVURJKSA-N 476.603 1.961 30 10 JDEE CC(C)(Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1508713031 CUNRQNQIYSDURR-JOCHJYFZSA-N 476.578 1.901 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2nccs2)C1 1510288202 AEYODCMMLDVHGR-DNVCBOLYSA-N 465.605 1.440 30 10 JDEE CC1CCN([C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CC1 1512265895 DOASSMUUHNPPTD-UYAOXDASSA-N 479.651 1.471 30 10 JDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCCC2)CCN1S(C)(=O)=O 1520816224 FHKSOMKJBWKJLK-IBGZPJMESA-N 487.630 1.685 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCS(C)(=O)=O)c1 1539045377 CYUQVQKCBMLFGS-UHFFFAOYSA-N 469.571 1.241 30 10 JDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1539065326 FKABODFAYRIHME-NRFANRHFSA-N 469.634 1.946 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCCC)cc1)[C@H]1CCS(=O)(=O)C1 1539200539 KGAAJVAFDMPYJL-FQEVSTJZSA-N 485.610 1.978 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1539200788 OKMOHDRZJZUELO-QGZVFWFLSA-N 492.001 1.851 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCCCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1539212589 VYSSEOMGKAGEFJ-QGZVFWFLSA-N 467.617 1.125 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCCN2C[C@@H](C)C[C@H](C)C2)CC1 1539460111 WMEXQNLFANQIBD-VXKWHMMOSA-N 455.651 1.914 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCNS(=O)(=O)CC)CC1 1539484249 IXGZAXYFKFKGLJ-UHFFFAOYSA-N 497.625 1.255 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC1COC(C)(C)OC1 1540870017 CMZUXHGIVAYHQX-UHFFFAOYSA-N 484.605 1.590 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)C1 1540937735 FQXRWIDYCHYXBO-LJQANCHMSA-N 451.531 1.964 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)n1 1564269357 HNHKARSCUYGUPR-OAQYLSRUSA-N 455.515 1.497 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN1CCOCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588050251 PUQYBCPELIYJIX-LJQANCHMSA-N 472.615 1.386 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1588069618 RHGRQZRMCIJTSX-QZTJIDSGSA-N 480.685 1.615 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1588069912 UYHSSUPBUQEUEX-OAQYLSRUSA-N 490.674 1.539 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CCC1 1588646895 OREWAONUJAJDDB-SFHVURJKSA-N 451.593 1.277 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1589068467 BZDBFCFHIGXGSA-SJORKVTESA-N 499.659 1.576 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cnn(C)c2)C1 1589495978 UZTWJNIMBJWTEF-NTDBWNAOSA-N 463.608 1.597 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccncc2)C1 1595730693 YBLYJNKJZHABFL-MOPGFXCFSA-N 462.576 1.030 30 10 JDEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)COC)CC1 1595860310 LTSFJDKDJQSSNE-UHFFFAOYSA-N 459.572 1.931 30 10 JDEE CCc1ccc(O[C@@H](C)C(=O)N2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)cc1 1615504706 FZRPQFBFTUHUAT-SFHVURJKSA-N 456.568 1.901 30 10 JDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCC(F)(F)F)CCO1 1620354881 DJLIRDAKTLJZAU-HUUCEWRRSA-N 486.476 1.293 30 10 JDEE C=C(C)Cn1c(SCC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)nnc1-c1ccco1 1633090760 QMUCFKIFFCVZTJ-UHFFFAOYSA-N 451.574 1.843 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(OCC)c1 1689852774 KLFDXDQMQMLBQA-UZLBHIALSA-N 477.587 1.525 30 10 JDEE C#CCCCn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1689941879 WTPZWGOBRKVGJU-DEOSSOPVSA-N 467.574 1.553 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1689982382 LQYYSSUCBTYEER-JTSKRJEESA-N 492.623 1.457 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689986056 HULVERNDYQVYRB-KRWDZBQOSA-N 476.603 1.777 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689990034 KTMKOCLVXLMBEX-IXDOHACOSA-N 486.685 1.339 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689991058 VEGLJOMWTFBRFC-MSOLQXFVSA-N 481.619 1.666 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCN1CCCO 1690013512 RQGAVBRHIAIMDQ-IBGZPJMESA-N 459.554 1.112 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1690019675 OSTWRDRVYLADBY-IKGGRYGDSA-N 473.521 1.977 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1690264818 DRWHPWRYJZZXSP-KRWDZBQOSA-N 478.619 1.837 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1690714580 PGFXOAGKHYUQIC-INIZCTEOSA-N 487.586 1.021 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCCN3CCC[C@H]3C(=O)N(C)C)CC2)c1C#N 1693406047 HLPYCUUVQGSVDN-NRFANRHFSA-N 496.664 1.584 30 10 JDEE CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1 1696828993 BNCCUYOTDRDMAV-SFHVURJKSA-N 464.617 2.000 30 10 JDEE COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1698066162 DEIFNEJFLDYPGH-UHFFFAOYSA-N 473.584 1.739 30 10 JDEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(N2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 1705561357 SSMAOLIUHQSIOR-OAQYLSRUSA-N 457.600 1.913 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1705565296 GMTMBPHFEBFPGR-QGZVFWFLSA-N 482.566 1.813 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705588801 FGMOJUROCXHOKP-OALUTQOASA-N 460.604 1.083 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(O)CCCC2)CC1 1705634509 YXCRPRCDDMFCJE-UHFFFAOYSA-N 472.615 1.256 30 10 JDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1705640843 ICVLKHVGWPGVPQ-UHFFFAOYSA-N 484.651 1.982 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(NC(=O)CCC)cc2)CC1 1705642459 VEDIRPRXOFZCNJ-UHFFFAOYSA-N 463.586 1.943 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1705642465 VHOVHKGGKCKSIT-JOCHJYFZSA-N 461.570 1.742 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)[C@H](C)CCC)CC1 1705647115 ALRPCYKUIGFZJP-QGZVFWFLSA-N 452.563 1.253 30 10 JDEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705885741 IAYFHADVJQGMAL-UHFFFAOYSA-N 451.531 1.260 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705888086 DUAACVXGINWYLR-IBGZPJMESA-N 474.587 1.209 30 10 JDEE C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1705892799 IIOXEWKTWOAJEU-UHFFFAOYSA-N 466.546 1.127 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](COC(C)C)C1 1705901144 BVIPJJIOTIYWLA-INIZCTEOSA-N 467.530 1.526 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ncc(F)cn2)CC1 1705905252 OZXCNMXAQUABOZ-UHFFFAOYSA-N 472.475 1.705 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1705959799 FVWUCDSPBJWVEH-VQTJNVASSA-N 470.599 1.946 30 10 JDEE CC(C)OCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1706704371 BLYAYVHEILVHSN-UHFFFAOYSA-N 453.547 1.816 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2CC2(O)CCCC2)C1 1712705859 DSDRCMVTBGNYAC-KRWDZBQOSA-N 452.581 1.046 30 10 JDEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722324972 BLVYYDYTYLJSST-UHFFFAOYSA-N 496.568 1.312 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1722360463 IAUAQKLRRLQDMW-KKSFZXQISA-N 457.581 1.936 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCS(=O)(=O)C1 1722421215 ODLCMXIESLWKFB-QGZVFWFLSA-N 480.612 1.259 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1722440086 BKLFQFWOOPVDOK-IBGZPJMESA-N 464.540 1.779 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCCOC)C1 1722511109 YQZKDRRTRRWDFO-XWSJACJDSA-N 454.593 1.403 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C2CCOCC2)C1 1722538640 ZQNUDXIBCWAJOG-UXHICEINSA-N 483.635 1.457 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC(=O)NC(C)(C)C 1722688283 AKRSNVFUZZWSLS-UHFFFAOYSA-N 490.634 1.200 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C(=O)NCC)CC1 1722694788 IISYBTDNUJVIMV-UHFFFAOYSA-N 485.589 1.895 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C#N)C1 1722726825 IMGBDKGBJLYXBV-ROUUACIJSA-N 494.618 1.722 30 10 JDEE CC(C)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1)N1CCOCC1 1723027238 FHEZZSYIISMGJR-UHFFFAOYSA-N 467.574 1.398 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1729342184 BMSGDNMWKBVJQM-UHFFFAOYSA-N 486.602 1.046 30 10 JDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1730417829 CPWVXKOJRQTWKY-PMACEKPBSA-N 495.628 2.000 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC2(S(C)(=O)=O)CCC2)c1 1740561982 FAQMWCYBYXMUTP-UHFFFAOYSA-N 479.566 1.759 30 10 JDEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740586647 IHKHKWRKGJCFPC-UHFFFAOYSA-N 496.612 1.747 30 10 JDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1740616249 WSVTYSJVCGVFQV-QGZVFWFLSA-N 465.963 1.135 30 10 JDEE C#CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1740629007 YKJOLOSARUIYHK-IBGZPJMESA-N 487.626 1.917 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1C 1740657641 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C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1748809620 OVMVOZJOHAVKMH-OALUTQOASA-N 466.567 1.358 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1748825694 CHEVMHATTIXKBG-XXBNENTESA-N 456.568 1.657 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C(C)C 1748944678 BLAVKKLTZLZNDY-NFBKMPQASA-N 493.605 1.797 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnccc1OC 1748950318 JEAGIBYXUZEVTM-UHFFFAOYSA-N 455.540 1.887 30 10 JDEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)NC[C@H]2C1 1749039220 QWAYMSLSAJHTSF-ROUUACIJSA-N 489.646 1.973 30 10 JDEE C=C(Br)Cn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749112779 OVMKOSJYWXFLBO-ZNMIVQPWSA-N 499.410 1.909 30 10 JDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1749114472 CVPVBPSJLFUGNT-HKUYNNGSSA-N 499.454 1.901 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1749368962 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C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1760180799 LEEPXWIGPXLSCN-GVDBMIGSSA-N 474.674 1.477 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C1CC1)N(C)C 1760203933 VVQZOJQBURIGOI-UXHICEINSA-N 456.591 2.000 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1760205861 LMVKCWHKTABXKO-NHCUHLMSSA-N 468.579 1.777 30 10 JDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)CN(C2CC2)C1=O 1760223471 GDGZKCWASXZXPT-QHCPKHFHSA-N 450.568 1.743 30 10 JDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCS(=O)(=O)C1 1760235140 CSRLJEYRWOLNQU-ZWKOTPCHSA-N 481.619 1.871 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1760358304 UGPHSPSWAWTTGA-MOPGFXCFSA-N 467.636 1.762 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1760451040 YNCQUFMKEYEOEZ-MRXNPFEDSA-N 493.552 1.668 30 10 JDEE C=CCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760512912 YXUVSNJXPGLBCA-UHFFFAOYSA-N 456.547 1.033 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@]2(CCOC2)C1 1760517490 NVJPEPMOTXRMPK-QHCPKHFHSA-N 457.531 1.890 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2nccnc2C)CC1 1760526214 HYRIFQFESXNJTN-UHFFFAOYSA-N 462.558 1.893 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1760526307 KNWXIQGIVXKSOA-UHFFFAOYSA-N 487.568 1.764 30 10 JDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760527165 OBKPVXFRRCCEKB-VWLOTQADSA-N 479.585 1.570 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1760553057 KHVNPVXVFPDWGQ-IBGZPJMESA-N 493.655 1.859 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(O)c2)CC1 1760560158 OZJMCFOZNIEVAA-MRXNPFEDSA-N 466.633 1.840 30 10 JDEE Cc1cc(C)n(C[C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCC(=O)N(C)C)CCO2)n1 1762470206 BMGGWSIHENKSBR-QFIPXVFZSA-N 492.584 1.926 30 10 JDEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)no1 1762750909 BRSKWUHAVSOJFD-UHFFFAOYSA-N 450.503 1.300 30 10 JDEE 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IVPKZJPJUHMZSV-LJQANCHMSA-N 488.589 1.461 30 10 JDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1286505200 ZSVIUHGHAOOKGM-VQTJNVASSA-N 482.658 1.918 30 10 JDEE C=C(Br)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286539812 DZCAZTAMOKMHEC-HNNXBMFYSA-N 479.766 1.578 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286547094 MWXCNKDHAXCOPZ-IEBWSBKVSA-N 482.651 1.648 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccnc(SC)c2)C1 1286801155 WWBVPJWAPJDALY-GDBMZVCRSA-N 452.606 1.835 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1286823659 XMHHAIAEDXBEGU-GOSISDBHSA-N 492.627 1.131 30 10 JDEE Cc1cccc(-c2nnc(N3CCO[C@@H](c4cccc(C#N)c4)C3)n2CCNS(C)(=O)=O)n1 1289988174 HTGTZALDJQGHCH-HXUWFJFHSA-N 467.555 1.647 30 10 JDEE CCc1nn(C)c(OC)c1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1292776786 BHVBPSMVYRNWLO-BTYIYWSLSA-N 461.592 1.663 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)Cc1ccc(F)cc1 1300309536 HSHYDIGPPMYKOD-XLIONFOSSA-N 478.594 1.340 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1300484021 QHHAPKAQUONHEW-URXFXBBRSA-N 487.626 1.893 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCNC(=O)c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1300506096 MGAPKWJEXBSKLZ-UYAOXDASSA-N 487.582 1.195 30 10 JDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C(=O)NCC)cc1 1300664632 SGIUWUHFZXEUDZ-UHFFFAOYSA-N 464.526 1.890 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1300876378 SMGRZPCRBFLDLI-QRVBRYPASA-N 482.651 1.505 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1300884988 NKNUTSIEWIBWQV-PXNSSMCTSA-N 458.607 1.775 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1300935119 JQZIAHDGWSKWIM-UHFFFAOYSA-N 467.617 1.785 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1300973006 SJDRAJPFVUIKGJ-OALUTQOASA-N 496.678 1.956 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCCCCC2)CC1 1301087104 UQSATDVZYPBCFH-SFHVURJKSA-N 453.609 1.853 30 10 JDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1301174210 OMSUWUQJGOIEKO-VLIAUNLRSA-N 467.596 1.059 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCN(C(C)C)CC1 1301424611 MYCPQEOMUWNVLW-SFHVURJKSA-N 455.625 1.054 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C 1301424883 PHQIZMLGHKPBOO-KRWDZBQOSA-N 455.606 1.668 30 10 JDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(S(C)(=O)=O)CC1 1301509662 KNNVTVCQZLNCAD-UHFFFAOYSA-N 456.572 1.597 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1301529605 NKFPIRLGVLTGPI-FUHWJXTLSA-N 474.587 1.312 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(SC)CCN(C)CC2)C1 1301558350 VEOCXRHUPVKQSE-MSOLQXFVSA-N 469.677 1.789 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1301578795 JBHBJJFDGRYMOL-HZPDHXFCSA-N 455.606 1.507 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1301587328 UFLNRNBZTCPJOV-INIZCTEOSA-N 458.631 1.545 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1301587986 BCXGRAWEADNCNQ-UHFFFAOYSA-N 465.542 1.972 30 10 JDEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1358906661 OVHWTPIYSYZKLW-UHFFFAOYSA-N 498.389 1.846 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1358959221 FBPYZTRWQLHCLS-HXUWFJFHSA-N 481.578 1.810 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(C(OC)OC)c1)[C@@H]1CCS(=O)(=O)C1 1358960639 IUGJXNJYZWGANM-LJQANCHMSA-N 482.566 1.702 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCNC(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1358961591 BPHXCHTWDAKMDJ-SJORKVTESA-N 477.612 1.638 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](CC)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1358962844 YCZRTXWQBGCLSH-LNLFQRSKSA-N 489.573 1.853 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1358965236 QNMKXBPJCSDAJF-QUCCMNQESA-N 459.591 1.977 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1358969207 JCSLQILUIFIMJL-YDZRNGNQSA-N 490.630 1.464 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)c(F)c1 1358979243 HJFINHCWWMPCQA-IBGZPJMESA-N 463.510 1.205 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](CC)C1 1359133089 LHKBGCLNVAIFDE-SJORKVTESA-N 459.638 1.536 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2nccnc2C)CC1 1359178968 IALHLIZYKZHPGE-LJQANCHMSA-N 461.592 1.355 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CN2CCOCC2)C1 1359183003 BATRKOWLRASVQJ-QZTJIDSGSA-N 454.641 1.649 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1359294587 YFYQMDZTHLOTSY-GOSISDBHSA-N 451.531 1.441 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1359300568 FTZFMGXVLCQPQU-SFHVURJKSA-N 454.556 1.523 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1359331350 WJMHIMWYVAVSCT-KRWDZBQOSA-N 461.592 1.025 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1464356858 CMYJDMFSWXHJQS-UHFFFAOYSA-N 451.932 1.941 30 10 JDEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1507591434 NGVNJUKEKJSWSR-UHFFFAOYSA-N 485.589 1.974 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507629671 VZOLOUATLJBBSZ-PRCFCKQXSA-N 490.582 1.129 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507637057 GQLVQRYIDWWGPS-DBXWQHBBSA-N 474.583 1.917 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCCS1(=O)=O 1507680262 BFGXEVFESQOTOP-GOSISDBHSA-N 450.586 1.775 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1507712776 OZOCCSCBJLYFMP-JOCHJYFZSA-N 466.586 1.320 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(OC)CCOC2)CC1 1507733715 JIVQDYCRBGAOPP-AREMUKBSSA-N 494.596 1.919 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2ncn(C)n2)CC1 1507737054 XLTMMTOUSOHQCQ-UHFFFAOYSA-N 483.374 1.850 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@]2(CCOC2)C1 1507751623 QGYJILVQZGUOFC-JPYJTQIMSA-N 493.630 1.949 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2nnc(C)s2)CC1 1507885024 PYESVLHPDAQRAE-HNNXBMFYSA-N 453.594 1.170 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1508018613 HCOYSAGGSBXTOQ-PSHVLCQKSA-N 465.620 1.731 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)OC[C@H]2C1 1508136118 RSEUXWZHKQZRNK-CQSZACIVSA-N 499.391 1.288 30 10 JDEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CCN1CCOC 1514138068 HQOIWUVJZNTXHD-FQEVSTJZSA-N 475.619 1.255 30 10 JDEE CCN1CCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1515877545 GBRUXNOIWNBUPR-TZIWHRDSSA-N 467.574 1.554 30 10 JDEE CCS(=O)(=O)NCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1 1516837174 APWZBZNKFATYIC-AUUYWEPGSA-N 454.503 1.938 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1519163880 FOBRKWOZVOLOEI-DLBZAZTESA-N 489.598 1.927 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc3c(OC)cc(Br)cc3s2)C1=O 1537690577 MHWMWGDNIHZGEU-UHFFFAOYSA-N 453.274 1.983 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(S(C)(=O)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1539220529 KIIREHFSBVITHD-ROUUACIJSA-N 484.644 1.504 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1539265362 FMKVFDKBDHBVGD-GOTSBHOMSA-N 481.622 1.635 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CCN1CCN(C(C)=O)CC1 1539406391 ZXEXLMXVTHRILO-UHFFFAOYSA-N 461.570 1.743 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)N2CCOCC2)CC1 1539436621 XINPVSKAHXUMDK-UHFFFAOYSA-N 468.602 1.828 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1539482910 YEFOWXBJTNBCTF-VXKWHMMOSA-N 472.634 1.842 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CNC(C)=O)C1 1539967859 VGVSGYVIJQACGM-MOPGFXCFSA-N 468.624 1.320 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1540120297 NBZQALKMNYRUAX-PXNSSMCTSA-N 453.536 1.390 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1ccnc1 1555557693 ADIXMYIGZOFMMO-IBGZPJMESA-N 469.571 1.781 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cn2c(Cc3ccccc3)nc3ccccc32)CC1 1558073481 UNRLTEVVFYYRNB-UHFFFAOYSA-N 451.552 1.239 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCOC23CN(C(=O)OC(C)(C)C)C3)c1 1561965940 KWOLCANXVBNVDK-UHFFFAOYSA-N 451.545 1.960 30 10 JDEE C#CCN(C(=O)Nc1ccc(C(=O)N[C@H](C)C(=O)OCC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1562443626 GIOJXBKXGUJLCQ-UKRRQHHQSA-N 453.492 1.161 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)N1CCN(c2cnccc2C#N)CC1 1569814504 AMNLKDQAHJVZIN-SFHVURJKSA-N 456.547 1.508 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1588034268 CHNCCVRHNQHBSR-JXFKEZNVSA-N 456.634 1.699 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1588035655 WNKAHPHDHBXXES-WIYYLYMNSA-N 497.021 1.496 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1588065137 VCUVQCJKXKXQOW-GOSISDBHSA-N 454.556 1.798 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588069463 OLMXMAVEYXFRDM-ROUUACIJSA-N 490.655 1.381 30 10 JDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(N2CCOCC2)n1 1588251727 XFFMJYUEFIRQTM-UHFFFAOYSA-N 458.570 1.883 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1588961613 GMERXGYBQZCBPA-FCHUYYIVSA-N 478.553 1.234 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ncccc1Cl)C1CC1 1595058220 FESNKPUYIUYVCC-QGZVFWFLSA-N 482.994 1.893 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)COCCO1 1595261178 ONMSTJLTZMDECX-DYESRHJHSA-N 450.561 1.814 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 1595475916 HFSNWBWXMIKXCL-DOTOQJQBSA-N 490.586 1.303 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1595477027 PYXDOIVIKVFZFQ-OLZOCXBDSA-N 456.519 1.666 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2ccsc2)C1 1595723036 QEQISNOIMOZNJA-WRWLIDTKSA-N 452.602 1.931 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(OC)c2)CC1 1595760972 VOMPBMYGXSVEFZ-UHFFFAOYSA-N 476.603 1.352 30 10 JDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1603673545 CKTKXQQBRKFHSZ-QFIPXVFZSA-N 476.578 1.364 30 10 JDEE CS(=O)(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 1620148704 AWOSDDKQJCRACN-MRXNPFEDSA-N 496.515 1.899 30 10 JDEE CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)N2CC(O)(CC#N)C2)c1 1665578595 DASJUXWBQRMOEP-UHFFFAOYSA-N 451.549 1.046 30 10 JDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1689944035 IZKDJTGCGMVJAI-CZIZESTLSA-N 467.917 1.457 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC=C 1690019257 DYHAJPJAWOEXOV-GOSISDBHSA-N 477.587 1.260 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2COCCO2)CC1 1690124464 LYLKDKLUDXNGGT-WOJBJXKFSA-N 474.606 1.563 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(C(N)=O)CCCC2)CC1 1690134697 BVLNVODMQFPEEM-KDURUIRLSA-N 485.633 1.850 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1690673382 UXBHAZJNQUVZEU-UHFFFAOYSA-N 460.517 1.903 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(C)=O)C1 1690682765 YNMGMOGEAPBRES-LPHOPBHVSA-N 476.603 1.606 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@H]1CCCCS1(=O)=O 1692530722 AMZGBRBPPUACIM-FQEVSTJZSA-N 499.641 1.972 30 10 JDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CCCO1 1693830500 FNAOPRWBBFQIIJ-INIZCTEOSA-N 450.503 1.497 30 10 JDEE CS(=O)(=O)c1ccc(OCCn2c(-c3cccnc3)nnc2N2CCO[C@H](C#N)C2)cc1 1698299118 APZSOJXDXKAPNT-GOSISDBHSA-N 454.512 1.551 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCC(O)CC1 1705476888 GQPUOVMNFPOHRM-QZTJIDSGSA-N 474.631 1.351 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(COC)c1 1705495257 NFIPJGQEUOKKLQ-DNVCBOLYSA-N 465.551 1.403 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1705558818 JGKSJMJIXABVCU-QRWLVFNGSA-N 465.601 1.012 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1705559733 AVTUBKWZROLYTD-WMZOPIPTSA-N 480.612 1.258 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1705637660 HAWGSMREUOKEAS-UHFFFAOYSA-N 465.583 1.394 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1705638401 JYAJLSGEWBDSTR-GFCCVEGCSA-N 470.887 1.438 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(C)CCO[C@@H]2C2CC2)CC1 1705644525 SWHOGTQKKLCHTM-NTKDMRAZSA-N 456.591 1.587 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705656979 OXEDXXVTLLCLJB-INIZCTEOSA-N 456.572 1.885 30 10 JDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCNC(=O)[C@@H]1CC 1705658136 GCEOTWNDONLHPO-INIZCTEOSA-N 461.617 1.319 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705705596 JIKBPSWALPYTHG-PZJWPPBQSA-N 460.604 1.717 30 10 JDEE C=C(C)COCCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1705740144 CPVPDEUSYSQRIG-QHCPKHFHSA-N 478.594 1.097 30 10 JDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705822516 HUCOUJUTIZDBBA-HNNXBMFYSA-N 452.606 1.706 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1705934867 ZLLDRLJDIFBYRE-MOPGFXCFSA-N 459.572 1.626 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1705946871 UCVUTSOACDALKX-SJORKVTESA-N 453.634 1.691 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@](C)(O)c1cccs1 1706619262 AGPGBWFZJSFOGN-QHCPKHFHSA-N 480.598 1.979 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1710329683 DXPSSIVPOYCEGP-RXVVDRJESA-N 451.575 1.747 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722361357 MKZZESCYGZXHMR-KRWDZBQOSA-N 470.521 1.851 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCNS(=O)(=O)Cc1ccon1 1722469125 UPDFTNAHGVBOHG-RTWAWAEBSA-N 478.575 1.030 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722494686 ROLSVVZCVSXNLW-QUCCMNQESA-N 482.589 1.218 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCN(CC(F)(F)F)CC1 1722698484 ZLZGRBQUHMSJFU-UHFFFAOYSA-N 490.490 1.971 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1722731148 FIPGQEFQYOCJPP-SFHVURJKSA-N 459.572 1.577 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ncnn1-c1ccccc1 1723940088 AQPMHBYRQACXKU-HRAATJIYSA-N 469.575 1.647 30 10 JDEE CCN(C)C(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1728264779 GUBPPFPWJNAFGL-UHFFFAOYSA-N 458.570 1.936 30 10 JDEE CN(C)C(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1729300522 HGQVYJQYZHBJQQ-UHFFFAOYSA-N 495.584 1.282 30 10 JDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCNC2=O)CC1)OC 1730463119 GTYFBPDOEAWUMM-HXUWFJFHSA-N 453.547 1.862 30 10 JDEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1730636918 CKDAWIWMOUPDMN-QHCPKHFHSA-N 456.547 1.621 30 10 JDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1730785630 GMXFDLZKLGFWRM-UHFFFAOYSA-N 466.634 1.611 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1740573410 CESTUTAUJZPSGD-RTBURBONSA-N 461.592 1.490 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1740624969 LMDGHWPTYSYCPS-LJQANCHMSA-N 473.574 1.694 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(O)CCCCCC1)[C@H]1CCS(=O)(=O)C1 1740628629 ZEOJUOBHMNFILE-OALUTQOASA-N 450.605 1.884 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1740629141 CDLRSQCIGHXAKR-SFHVURJKSA-N 473.986 1.759 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCc2ccccc21 1740645499 GTZYFJJXJISNSD-RTBURBONSA-N 454.600 1.802 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)CC1 1740707585 IBQVEJMLWDXEMZ-UHFFFAOYSA-N 489.580 1.740 30 10 JDEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740719239 CAFZKQBFQFPGCJ-UHFFFAOYSA-N 482.654 1.411 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)C1 1740762870 WQYVKYPXFYLHQE-RDGPPVDQSA-N 453.609 1.829 30 10 JDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1740884991 SYSNVCMCYFSSAM-UHFFFAOYSA-N 469.590 1.806 30 10 JDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(-n2cncn2)nc1 1740893861 ZWPMZBMFBDXGFL-UHFFFAOYSA-N 479.570 1.842 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1740954917 JEUIGVPTZCOXFN-KRWDZBQOSA-N 473.541 1.633 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1740964927 XMPSJYDWURNXNW-GOSISDBHSA-N 485.564 1.881 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1740992822 UKTHXXPMXRQVTQ-IBGZPJMESA-N 473.599 1.782 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(O)cc2C1 1741002642 JXTVACLDMDNNLP-IBGZPJMESA-N 479.628 1.799 30 10 JDEE C[C@@H]1CCCN1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1743117092 FUCHDADEAOXKMQ-DBXWQHBBSA-N 465.624 1.225 30 10 JDEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1747422004 GRQPUXAUHVJLPX-GAJHUEQPSA-N 488.614 1.607 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCN(C)C1 1748679988 MQYKYPVJUGAGDD-BWKNWUBXSA-N 451.619 1.167 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(SC)CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 1748818323 YVVRRHZBWXPHJX-RTBURBONSA-N 481.688 1.626 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1748818778 GDMAGPUGEDTGLM-SIKLNZKXSA-N 460.625 1.672 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748823992 GSVNTGJVNSGRSA-PLACYPQZSA-N 493.674 1.544 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccsc1)N(C)C 1749067551 UFTDKSXGTZQMCE-WOIUINJBSA-N 492.671 1.968 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749229445 KNMKVBCQELMZPF-LJQANCHMSA-N 471.587 1.366 30 10 JDEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1749616945 CZMZWCDNLKDJFO-OFNKIYASSA-N 491.614 1.920 30 10 JDEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)C1 1749994227 GZLOBPFCTUCXOP-UGKGYDQZSA-N 481.601 1.802 30 10 JDEE CS(=O)(=O)CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(CS(C)(=O)=O)CC1)C1CC1 1750202121 AFXUXJDNXBKPKB-UHFFFAOYSA-N 477.612 1.655 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1760110437 DRHYQXUPSYKTAA-JKSUJKDBSA-N 469.571 1.074 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760188340 KAFUYTFRCDSMOH-ZWKOTPCHSA-N 473.628 1.670 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCCc1cnn(C)n1 1760244092 XGDMLECXSSYIMY-UHFFFAOYSA-N 450.522 1.941 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCC(OC)CC2)CCCC1 1760248491 APXCSDNKBTWMHO-HXUWFJFHSA-N 493.674 1.690 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCCCC2)CC1 1760265448 BIKWBWLIYOSGOF-RUZDIDTESA-N 472.634 1.770 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1760280900 JOSVGLWUDQMJBK-IRXDYDNUSA-N 499.659 1.277 30 10 JDEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(N)=O)C1)c1ccccc1 1760418410 RWPJBEQISAEWAS-AQNXPRMDSA-N 488.614 1.283 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c(CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)C(C)C 1760490397 WNSTZUKCYASFBZ-NRFANRHFSA-N 487.649 1.047 30 10 JDEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCS(=O)(=O)C1 1760490860 LNLLRPPRWYKCRN-QGZVFWFLSA-N 479.628 1.809 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(C)C)CC1 1760566481 VGZWGPKOFFMQGM-GOSISDBHSA-N 472.681 1.497 30 10 JDEE C[C@@H]1C[C@@H]2[C@H]3CC[C@@](O)(C(=O)COS(C)(=O)=O)[C@@]3(C)C[C@H](O)[C@]2(F)[C@]2(C)C=CC(=O)C=C12 1848440188 DGISQSXPSOFZGZ-ZQHZSJQKSA-N 470.559 1.880 30 10 JDEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCNC=O)cc1 1862610141 CKWMFVNYLBTFGE-OAQYLSRUSA-N 480.473 1.959 30 10 JDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCc2ccccc2)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865715791 JTUDXMYCJJYGCJ-LJQANCHMSA-N 474.517 1.660 30 10 JDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(OCCC)cc1 1865729660 SBQLQZXHBPFJRV-GOSISDBHSA-N 466.538 1.768 30 10 JDEE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)C(=O)Nc2ccccc2C#N)cc1 1866581552 DYUBTPFYTHDJJH-XMSQKQJNSA-N 483.546 1.974 30 10 JDEE CC(C)(NC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1)C(=O)Nc1ccccc1C#N 1866645301 VXXYDXUACQIUKY-GOSISDBHSA-N 489.575 1.666 30 10 JDEE COc1cc(C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)c([N+](=O)[O-])cc1OC 1870157641 ZNXZONOSFWUOSG-UHFFFAOYSA-N 477.393 1.542 30 10 JDEE COCCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN1CCOCC1 1870324042 RNUGIDQWMDVMJK-UHFFFAOYSA-N 472.567 1.766 30 10 JDEE CN(CCO)Cc1cc(=O)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)cn1CCc1cnc[nH]1 1870324255 BUTILCOFHHSSKN-UHFFFAOYSA-N 496.593 1.678 30 10 JDEE CCN(CC)CCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN(CCO)CCO 1870349669 XWKSMSAOGXFWGN-UHFFFAOYSA-N 456.587 1.817 30 10 JDEE C=CCn1cc(OCC(=O)N(C)C[C@H]2CCCO2)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870547812 NDNUGCFLVNPSMY-JOCHJYFZSA-N 481.597 1.768 30 10 JDEE C=CCn1cc(OCC(=O)Nc2ccc(OCC)cc2)c(=O)cc1CN1CCN(CCO)CC1 1870699682 VQJJWQSMIGWDSC-UHFFFAOYSA-N 470.570 1.560 30 10 JDEE CCOc1ccc(-n2nnc3c(N4CCN(S(=O)(=O)c5ccccc5C#N)CC4)ncnc32)cc1 1891479375 PIANMYHGHNAPAU-UHFFFAOYSA-N 490.549 1.992 30 10 JDEE CN(CC(=O)NCc1ccc(C#N)s1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1892201124 NGUSXWUXYKPBJN-UHFFFAOYSA-N 462.553 1.029 30 10 JDEE C=C(CCNC(=O)OC(C)(C)C)CNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2244230041 XEOYXFBUTUWDBA-KRWDZBQOSA-N 485.559 1.756 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256623568 RNKGCLUNFYYHNR-XXRNEEKGSA-N 450.370 1.891 30 10 JDEE COC(=O)[C@@H](CCNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2266997633 DENIPRUKJDEOGT-CYBMUJFWSA-N 469.369 1.629 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267145463 GMTMBKGTKCDHFH-PXTGODKCSA-N 468.385 1.862 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267374699 VSDLLGXMNCEPIH-KGLIPLIRSA-N 488.437 1.696 30 10 JDEE Cc1nc(S(=O)(=O)N[C@H](C)CN(C)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2267467903 RGUPZBBVIMQGSD-MRXNPFEDSA-N 462.425 1.827 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](F)C[C@@H]1CNC(=O)OC(C)(C)C 2267498472 UVJXWKUGHGAXLD-UONOGXRCSA-N 452.336 1.797 30 10 JDEE CC(C)[C@@H](CO)N(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267710610 YHYRPNHYXDFUNV-LJQANCHMSA-N 463.409 1.927 30 10 JDEE CC(C)[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267718485 UJAIXPLDARILQA-AWEZNQCLSA-N 472.417 1.547 30 10 JDEE Cc1c(C(=O)NCCN(C[C@H](C)O)C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281797625 XOBQTBKWVLIPJU-AWEZNQCLSA-N 466.388 1.375 30 10 JDEE CC(C)(C)OC(=O)N1CCN([S@](C)(=O)=NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2281923128 BVWUXKJVTHHIDM-MGBGTMOVSA-N 483.400 1.415 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)n1 2281958783 VWAWLWKPGZOJRR-OTWHNJEPSA-N 451.380 1.897 30 10 JDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(C(N)=O)CN(C(=O)OC(C)(C)C)C1 2281963409 LASNXCRXXJIBJI-UHFFFAOYSA-N 479.408 1.808 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1COCCN1Cc1ccccc1 2282002895 VJBNIINNBCOWIT-IBGZPJMESA-N 454.380 1.659 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](NC(=O)C(F)(F)F)[C@@H](C)C1 2282006963 ZQBPLYPXIIOPLX-WCQYABFASA-N 458.290 1.557 30 10 JDEE C[C@@H]1C[C@@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CN1C(=O)OC(C)(C)C 2282332060 VWOBQGQELPBJGY-CABCVRRESA-N 484.428 1.643 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F 2282350464 NHUNZQKCTDTLBG-GFCCVEGCSA-N 498.333 1.453 30 10 JDEE C[C@@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(Cc2ccccc2)C1 2282502420 KWPCKPLAVCNHJW-MJGOQNOKSA-N 474.436 1.908 30 10 JDEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282611306 JMJFLIWCWPVNIO-LSDHHAIUSA-N 463.388 1.880 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F 2282682031 JQEGJYQAHUSNAV-GFCCVEGCSA-N 471.314 1.489 30 10 JDEE CCN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282880989 PVIAQGNBKNUDMF-UHFFFAOYSA-N 484.428 1.658 30 10 JDEE COC(=O)[C@H](CS(=O)(=O)N(C)[C@H](CC#N)C(F)(F)F)NC(=O)OCc1ccccc1 2286037238 WTJWKWPSPBBPJB-UONOGXRCSA-N 451.423 1.561 30 10 JDEE C=C(CS(=O)(=O)N[C@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)B1OC(C)(C)C(C)(C)O1 2312863547 YUHZGSBMTGJYQV-JYJNAYRXSA-N 458.386 1.728 30 10 JDEE Cc1cccc(OC[C@H](O)Cn2c(NN=Cc3ccccc3O)nc3c2c(=O)n(C)c(=O)n3C)c1 2327754133 FUROPRFWAMFOKP-QGZVFWFLSA-N 478.509 1.334 30 10 JDEE Cc1cc(CNC[C@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2369693600 DIQQKSQKFMDIMO-SLFFLAALSA-N 462.396 1.725 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)cc2C1=O 9701671 LCFNZKXNRYMLJS-UHFFFAOYSA-N 485.518 1.823 30 10 JDEE CCOC(=O)CN1C(N)=C(C(=O)OC)[C@]2(C(=O)OC3=C2C(=O)CC(C)(C)C3)c2ccccc21 20167695 PPOFWGQJSHMYNA-DEOSSOPVSA-N 454.479 1.851 30 10 JDEE N#CC1=c2oc(=O)/c(=C\c3cccc([N+](=O)[O-])c3)n2-c2oc(N)nc2[C@@H]1c1cccc([N+](=O)[O-])c1 20457219 VGOURTKCLRJNLP-QLGNDSFESA-N 472.373 1.466 30 10 JDEE CN(C)S(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])C2=NO 26570495 NOKSDVLLKCUHAQ-UHFFFAOYSA-N 499.483 1.211 30 10 JDEE CC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)n1c(N)nnc1SCC#N 40173433 XFTBPCAKDLNRJV-OAHLLOKOSA-N 465.561 1.087 30 10 JDEE C=CCn1c(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)nnc1-c1ccc([N+](=O)[O-])cc1 59792111 NZESAPQCVHKHMR-UHFFFAOYSA-N 454.472 1.475 30 10 JDEE C=CCn1nc(C)c(/C=N/Nc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)c1C 59831546 IWFHGKNZMWNNHO-UFFVCSGVSA-N 489.587 1.628 30 10 JDEE C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H]1C 215692076 FWSPUCDBHHCOSB-HOTGVXAUSA-N 475.399 1.726 30 10 JDEE C[C@H](C(=O)N[C@@H]1CCNC[C@H]1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 585831018 MLZUOQMFPVDHIY-GFZSCEGUSA-N 476.489 1.956 30 10 JDEE C=CCOc1ccc(C(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)cc1OC 729459429 PVDWTFKJPWMINH-UHFFFAOYSA-N 461.320 1.915 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(-c3ccccc3)c2C)c(=O)n1C[C@@H]1CCCO1 917356394 KTCFAEKWSNDESA-FQEVSTJZSA-N 489.601 1.697 30 10 JDEE C=CCN(C(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)[C@H](Cc1ccccc1)C(=O)OCC 1128003415 OCLKTRNPWIPPCR-VTRMHMOVSA-N 454.523 1.728 30 10 JDEE CS(=O)(=O)C1(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCCC1 1128693037 CYFPPJZJHZEQRA-UHFFFAOYSA-N 453.586 1.433 30 10 JDEE N#Cc1ccc(OCC(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)cc1Br 1153325889 ICOBGAZSAXAUMR-KRWDZBQOSA-N 451.365 1.612 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1286394017 NJJILTYGQLDEOL-SFHVURJKSA-N 461.563 1.549 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CC(=O)N1CCOCC1 1286461453 YJFDDBPHEVRRKZ-UHFFFAOYSA-N 468.377 1.714 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2CC1 1286509432 QISQLYSJOHFLLX-FQEVSTJZSA-N 475.640 1.583 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1286606506 RQCPKLNFNHIREU-NHCUHLMSSA-N 475.638 1.053 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1286784152 AKFSIZDQLJXYAE-LJQANCHMSA-N 469.571 1.123 30 10 JDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)NC(C)(C)C 1290984974 CESIQEPBKUNCPN-INIZCTEOSA-N 453.547 1.700 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1297777701 BEQDKZHTSHPIFA-UHFFFAOYSA-N 489.602 1.813 30 10 JDEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCS(C)(=O)=O 1300341738 KNDZFPHGYLRTFT-UHFFFAOYSA-N 466.633 1.831 30 10 JDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1300345285 SDHPJYZBESOPLG-UHFFFAOYSA-N 495.609 1.655 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300813175 DDBQBVLNIAGKKV-HRAATJIYSA-N 476.628 1.543 30 10 JDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCSC2)C1 1300850151 WZNFHUFSTZJYIX-RHSMWYFYSA-N 492.465 1.853 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(COC)n1 1300915272 LTYQMOQCUVPICV-INIZCTEOSA-N 470.621 1.665 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C 1301424885 PHQIZMLGHKPBOO-QGZVFWFLSA-N 455.606 1.668 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC[C@H](F)C2)C1 1301558247 UPHARDQWZUYHJD-FJIDUMEYSA-N 457.572 1.531 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1301576408 UQMKKVSUUJMVOS-MRXNPFEDSA-N 451.936 1.840 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1301577991 WKHLBICHASBKAR-WMLDXEAASA-N 479.990 1.923 30 10 JDEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C[C@H]1C 1313864578 GHTWDZXKZVRGSH-MOPGFXCFSA-N 451.575 1.985 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358956657 IZVMPOHFCPUFKT-ZRNYENFQSA-N 451.637 1.918 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCSCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358966044 HBNUZFWSNNYFKN-FQEVSTJZSA-N 487.651 1.961 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)N1CCN(CC)CC1 1358971824 JWIDSWUBMUIZMY-OAQYLSRUSA-N 497.669 1.294 30 10 JDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(=O)NCC)c1 1359023271 FWJAWVHLBBABCN-UHFFFAOYSA-N 464.526 1.890 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC[C@H](F)C2)n1 1359028023 DQIUMAGKCMZBHF-OTWHNJEPSA-N 478.594 1.801 30 10 JDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CC[C@H](OC)C(F)(F)F)CC1 1359034206 IDLYQDJARBVLEH-INIZCTEOSA-N 454.453 1.728 30 10 JDEE C=C(Br)Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1359088100 BCXYUEVKVYLMHX-QRWLVFNGSA-N 497.394 1.700 30 10 JDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(N)=O)C1 1359131106 IAYDWQJCVLQDTJ-HSZRJFAPSA-N 451.531 1.486 30 10 JDEE C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1359154083 CRMMCIKVRDLJCG-UHFFFAOYSA-N 471.953 1.160 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN2CCOC[C@@H]2C1)C(C)C 1359265808 METOGZZZTKOMJX-PWRODBHTSA-N 457.623 1.449 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1359294235 OMJUDCCKVFUYAX-UHFFFAOYSA-N 458.526 1.849 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccnc(C)n2)CC1 1359343617 XFLGBGHQYFXPAL-KRWDZBQOSA-N 463.633 1.524 30 10 JDEE C=C(Cl)C[C@H](NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(=O)OCC 1454716489 WVTHCOPNBLKUGB-KBPBESRZSA-N 452.957 1.601 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC(NC(=O)NC)CC3)nnc12 1457869734 XWAOHGMYNZVPLW-UHFFFAOYSA-N 455.544 1.242 30 10 JDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@@H]1CCCN1C(=O)OCc1ccccc1 1462896747 PDEQYVHRCFDRSM-OALUTQOASA-N 456.586 1.793 30 10 JDEE CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1496284037 DBNUCRLXJJQZKU-XDHUDOTRSA-N 467.574 1.996 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccccc1OCC1CC1)[C@@H]1CCS(=O)(=O)C1 1507622943 PBLUNFJJVXAQRP-HXUWFJFHSA-N 485.610 1.880 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCNS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1507626033 MMQOUNCIDHSOSJ-QGZVFWFLSA-N 486.019 1.165 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(C)C)nc1 1507671366 JRSHWSAULHIKND-FQEVSTJZSA-N 486.598 1.304 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC(=O)NC2CCCCC2)CC1 1507718385 DAERAFXRHFYKNQ-RUZDIDTESA-N 472.634 1.913 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 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C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1508081216 VRIMEJCNYFJJFQ-UHFFFAOYSA-N 451.531 1.034 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)c2ccccn2)CC1 1508086582 NLXIMMBEUVGZSD-UHFFFAOYSA-N 481.507 1.807 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(S(=O)(=O)CC)CC1 1508135899 CHQAGXXWVUTXBY-UHFFFAOYSA-N 453.590 1.344 30 10 JDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H](C)S1 1512495056 ACEXICGNGUTMJF-CALCHBBNSA-N 491.639 1.999 30 10 JDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)c1ccco1 1513978015 FDDWNVWXGRTRLH-JPYJTQIMSA-N 450.499 1.944 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnc2C)CC1 1515990183 GPBNYSYRCSEVKU-UHFFFAOYSA-N 461.574 1.670 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)CC1 1524011266 SUNDJETZXBZYJK-UHFFFAOYSA-N 459.568 1.278 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1539015011 NLEDUXPHBDLXLE-JWVYWZTKSA-N 451.593 1.274 30 10 JDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1539044383 AIOAUAQXXOVSDY-JOCHJYFZSA-N 471.650 1.549 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCn1c(C)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1539202569 JPWSXHLINWREKQ-GOSISDBHSA-N 483.598 1.401 30 10 JDEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1539213359 YHIDWPWWEDSAMD-LJQANCHMSA-N 484.582 1.761 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539219217 BMFKVVMRCQPECF-WMZOPIPTSA-N 498.577 1.599 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539221134 NSRNKQKNSWCPRS-QYZOEREBSA-N 461.588 1.695 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539222888 XYMCRTWOQNJZOM-ZWCUEREDSA-N 450.605 1.740 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539230716 PLIZPUIZDKAYFZ-LJQANCHMSA-N 487.626 1.955 30 10 JDEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1540187129 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C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1588140030 SFYAGNPYBCGVGU-HMXCVIKNSA-N 471.558 1.942 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(OCC(F)(F)F)c1 1588560429 QEXAZQQWFUIUSO-UHFFFAOYSA-N 466.464 1.985 30 10 JDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1588849110 ZJDCPPSQLXTLPY-SFTDATJTSA-N 451.619 1.907 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCC(F)(F)F)CC1 1588908845 WZPWJCSDOROCTP-UHFFFAOYSA-N 483.882 1.638 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1588961513 BQKHEJJZTJNZJR-CYFREDJKSA-N 456.591 1.714 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cnn(C)c2)CC1 1593695955 JKYOTDHTMQDKAG-UHFFFAOYSA-N 451.535 1.578 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1594813082 NYFNFIWZPBBMTD-WMZOPIPTSA-N 450.565 1.084 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(CNC(C)=O)CC1 1595489800 IXKIWXDTXREEDA-UHFFFAOYSA-N 478.395 1.701 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1595556722 ZQYJPYDGWVNTHR-GOSISDBHSA-N 453.591 1.945 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1595569335 FHQSTBFHVOEABR-INIZCTEOSA-N 454.501 1.515 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C)C1 1595766800 XPXBZAADUSKMDX-HNNXBMFYSA-N 466.633 1.994 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1595796965 CGMVPLIZIDHOHB-RBUKOAKNSA-N 475.619 1.668 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1595823380 NIRRUWXWOGEONN-OAHLLOKOSA-N 451.524 1.264 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(O)CCOCC1 1596840570 DXAZZQQTVSQPNW-OAQYLSRUSA-N 467.618 1.780 30 10 JDEE CC(C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1)N1CCOCC1 1597751797 HZDPZDWWHIXYHA-UHFFFAOYSA-N 467.574 1.398 30 10 JDEE C#CCN1CCN(C(=O)CSc2nnc(COc3c(Cl)cccc3Cl)n2N)CC1 1613391718 BISQRSCUYWHXKK-UHFFFAOYSA-N 455.371 1.747 30 10 JDEE C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34/C=N/NCCO)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 1614467854 KRTLUNZEHYQHDL-JVOMWSEZSA-N 462.587 1.267 30 10 JDEE C=CCn1c(SCC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)nnc1-c1ccc(Cl)cc1 1627707334 KHQYODUJORIGEN-SFHVURJKSA-N 456.977 1.542 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)N3NC(=O)C[C@@]34CCN(C(=O)OC(C)(C)C)C4)cc2C1=O 1645102779 OUQIDADEVUBIKV-HSZRJFAPSA-N 454.483 1.725 30 10 JDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(Cc3nc(O)c4ccccc4n3)CC2)CC1 1657599290 HKZJSCVVCRCPSD-OAQYLSRUSA-N 451.575 1.145 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN1CCOC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1689987774 BYIYLJONHSHKIC-LJQANCHMSA-N 472.615 1.386 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCCCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689988099 JDLWACLIGWUFRX-VQTJNVASSA-N 471.631 1.874 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689994152 SACPEMJIZLMHCP-YLJYHZDGSA-N 476.672 1.992 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)N1CCOCC1 1690019245 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1690724958 ZPIMCQHQQKRHAE-PMACEKPBSA-N 494.639 1.229 30 10 JDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1696584340 DSFFGYZOAZOWBG-UHFFFAOYSA-N 458.526 1.652 30 10 JDEE Cn1cccc1-c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCS(C)(=O)=O 1696870847 AYZBPANYEZJXTK-UHFFFAOYSA-N 467.599 1.912 30 10 JDEE CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)CC1 1698312832 BNISAKVPJWUEDW-FQEVSTJZSA-N 462.601 1.203 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2Cc2ncn(C)n2)c1 1705508137 QHSKRAJCDUBZPN-UHFFFAOYSA-N 461.555 1.867 30 10 JDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1705532464 AOTBHDMNJTUXLO-NRFANRHFSA-N 464.570 1.933 30 10 JDEE C#CCCCn1c(N2CCN(c3nccc(OCC)n3)CC2)nnc1[C@]1(OCC)CCOC1 1705539490 SNXVPATXAGAVOF-QHCPKHFHSA-N 455.563 1.859 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(C)Cc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1705558767 HINHBVSRAMMEEQ-FQEVSTJZSA-N 469.611 1.848 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705560993 PIXTXYXGRFARQR-CVEARBPZSA-N 459.638 1.341 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCNC(=O)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1705564773 CNYROBSZJPCENM-SFHVURJKSA-N 496.568 1.844 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1705568821 VTMFJFUICKDARJ-FDDCHVKYSA-N 471.583 1.271 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1705569488 HPWIXODSDQOEHI-OAHLLOKOSA-N 481.554 1.900 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705571338 YEVYRHZGHGXNBH-LJQANCHMSA-N 479.002 1.691 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(C)C)cc1 1705612529 INZQKZCRXNABTD-HXUWFJFHSA-N 461.588 1.906 30 10 JDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1705638270 FEKDMWRHMBXXNV-MBSDFSHPSA-N 473.647 1.791 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1705643653 OEOXJBVHRQRDGM-VWLOTQADSA-N 482.585 1.597 30 10 JDEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1705665712 BKHDCIRAWBIGPB-UHFFFAOYSA-N 453.565 1.444 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(CC)C2CC2)CC1 1705781710 GUHHMUYSOKWRKT-IBGZPJMESA-N 452.625 1.498 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1705903368 UFSRDOKLCNCGOW-IRXDYDNUSA-N 490.634 1.012 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1705905458 VTQANHRXJYECIZ-NZQKXSOJSA-N 479.629 1.468 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705906992 WUMHAQAZLPEWLJ-UHFFFAOYSA-N 481.601 1.212 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C(N)=O)nc2)C1 1705920515 YVRAZAYFQBBVIU-GOSISDBHSA-N 482.566 1.672 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1705930544 PTHGHYWUJGQGOT-PNLZDCPESA-N 490.586 1.299 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCS(=O)(=O)C1 1706068045 DACAMPLFCHPEFH-DLBZAZTESA-N 494.643 1.616 30 10 JDEE CCc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1708928549 CJWREEZATCLOKJ-SIKLNZKXSA-N 476.578 1.858 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1722363432 TZUVLKWNEPWOEF-SJORKVTESA-N 461.588 1.539 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1CCCN1CCC[C@H]1C(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1722363500 GDDSLJKAQDZRIG-AABGKKOBSA-N 478.663 1.361 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1722367247 LIJVPBOXIYOHFF-RTBURBONSA-N 463.604 1.549 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(CS(C)(=O)=O)CC1 1722414165 WWQGDAOTZSFNHQ-KRWDZBQOSA-N 481.619 1.871 30 10 JDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(NC(N)=O)cc1 1722425386 WXJFBQFYZZMXCB-UHFFFAOYSA-N 496.597 1.863 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CCS(C)(=O)=O)nnc1[C@@]1(OC(C)C)CCOC1 1722502729 UDSSRVJIOSNEEU-LVCYWYKZSA-N 456.609 1.781 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1722523228 ICXPCKBJJCMMOY-SJORKVTESA-N 468.624 1.318 30 10 JDEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1722527229 CJAMTVRVIMRKKS-FQEVSTJZSA-N 474.993 1.975 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)Cc1ccco1 1722554419 FKKVHAFKCNDRAG-MRXNPFEDSA-N 459.956 1.610 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1722747797 JYJCJOSZAQUYGK-XTQSDGFTSA-N 478.557 1.622 30 10 JDEE CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)F)cc1OC 1728215421 GPLYQSWPVBGVNB-OAHLLOKOSA-N 464.473 1.853 30 10 JDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1729064589 AGHXSCLSUFXFHV-QGZVFWFLSA-N 495.554 1.939 30 10 JDEE COc1ccccc1-c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCS(=O)(=O)N(C)C 1730274767 DVGCICJPTWWMMY-UHFFFAOYSA-N 496.597 1.438 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCNS(=O)(=O)Cc1ccon1 1740547482 VSRSQZIVBJQKKW-HNNXBMFYSA-N 453.528 1.992 30 10 JDEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740565483 AVMWCMSVOZKUCB-UHFFFAOYSA-N 482.585 1.939 30 10 JDEE C#CCCCn1c(N2CCC(NS(=O)(=O)CC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740596916 MWNHMWNZJKTIHC-OAQYLSRUSA-N 453.609 1.640 30 10 JDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(C)n(C)c1=O 1740602654 YKLWUQYZLKSHFD-UHFFFAOYSA-N 453.572 1.671 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1740617062 LADBBNVVAVAOMV-SIKLNZKXSA-N 464.588 1.292 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1740621396 WUIIFYQDOIITDW-INIZCTEOSA-N 479.990 1.760 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1740625439 FNDZOJOTLJSMOO-PMACEKPBSA-N 471.583 1.554 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1740629467 OSBWCXPJRJOAIT-MANSERQUSA-N 450.561 1.322 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2cn[nH]c2)CC1 1740703474 USQVMNGOTXNPFY-HSZRJFAPSA-N 455.563 1.250 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@](C)(O)c2ccccc2)CC1 1740703603 YGWNIDOTTUZTAJ-UIOOFZCWSA-N 481.597 1.804 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2cnn(C)c2)CC1 1740704334 NTOFFDYEUPISMW-UHFFFAOYSA-N 463.542 1.710 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCNS(C)(=O)=O 1740755747 LQPJVLJDBWQYLX-NVXWUHKLSA-N 454.984 1.960 30 10 JDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1740800497 DNNLSLIWSKNFFY-UHFFFAOYSA-N 452.003 1.740 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(NC(C)=O)CC1 1740951797 NYIOXTKRFBTVNE-UHFFFAOYSA-N 473.965 1.269 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(O)(C(F)(F)F)CC1 1740960367 QCPMZFSOQOVLOS-INIZCTEOSA-N 467.448 1.986 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1740961174 NUWYQJDOIAWCCF-SFHVURJKSA-N 457.966 1.865 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1740964177 JZHYJECNUXTZGX-OAQYLSRUSA-N 468.602 1.935 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](NC(C)=O)C1 1740986736 GAQAJYUWFIQBNO-INIZCTEOSA-N 499.435 1.752 30 10 JDEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1741297195 IEPAEJKXXABXCW-GOSISDBHSA-N 453.547 1.593 30 10 JDEE CCC(O)(CC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1744176730 DNGHKVWXUDHQAD-UHFFFAOYSA-N 481.601 1.349 30 10 JDEE CCOC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1747285480 HDRZTBHBEQSOSU-PMACEKPBSA-N 488.614 1.873 30 10 JDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1748703089 IQBOWPVGJSHQJL-UHFFFAOYSA-N 481.582 1.739 30 10 JDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1748745750 WJYDUOPWOFQUAN-KRWDZBQOSA-N 493.659 1.417 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748803375 YAIUNOPYVFGMIJ-RBUKOAKNSA-N 478.663 1.554 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1748804740 KMEZYTOIEJGWAA-AQNXPRMDSA-N 451.637 1.775 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748819635 QTBOQLFAQHPHPI-QFIPXVFZSA-N 485.654 1.915 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCN2CCOC[C@H]2C)CC1 1748999473 XCRWXXCENIRHSU-HXUWFJFHSA-N 454.575 1.342 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cs2)CC1 1749039257 RLTDGNRUTXOKBW-MRXNPFEDSA-N 466.658 1.638 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCS(=O)(=O)C1 1749530314 YMFUAJONFPRSPP-LJQANCHMSA-N 456.572 1.915 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1S(C)(=O)=O 1749554140 PFWKXXXDGQOZGD-WBVHZDCISA-N 464.617 1.907 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1749650222 NXIIDWBAPOQCSR-GOSISDBHSA-N 490.511 1.996 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1749667073 RXTPCYNCMKGPKC-UHFFFAOYSA-N 450.547 1.878 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1749679850 CBASWJFTXOJMPL-LJQANCHMSA-N 471.949 1.915 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](NC(=O)C(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1749682062 NVHGNAOKNXFIST-SBUREZEXSA-N 462.595 1.364 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1749729562 NJGSDOZZECHZBF-HXUWFJFHSA-N 472.571 1.866 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1749740144 QXIZJBRSZNLLMI-NRFANRHFSA-N 479.534 1.628 30 10 JDEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1760147640 CVMZZGPFZLGZKL-GOSISDBHSA-N 457.531 1.726 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)Cc1ccccc1 1760219516 GQIHNGKTHDOYQC-HXUWFJFHSA-N 474.608 1.258 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(C(N)=O)nc1 1760227163 WNGBHERNVFGPHV-UHFFFAOYSA-N 467.555 1.197 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCOCC1 1760240423 QMVFZXBIUVAZDF-QZTJIDSGSA-N 478.594 1.388 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccnc2OCC(F)F)CC1 1760252356 PSOFTBZMWUDQLC-UHFFFAOYSA-N 482.495 1.768 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([S@](C)=O)CC2)CC1 1760267743 YFAPGGFKEWLIEX-UMSFTDKQSA-N 485.610 1.839 30 10 JDEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760278109 LJDONBQOTVHYBL-HNNXBMFYSA-N 454.535 1.983 30 10 JDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1760353857 HPKZIZKZWNYOMX-UHFFFAOYSA-N 453.551 1.864 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1760432912 OHNBAJLBPXKSQI-QGZVFWFLSA-N 478.594 1.885 30 10 JDEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760460276 YBFXXRSMAKUDMK-SFHVURJKSA-N 471.377 1.888 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1760518685 ZEGWNYCGYDMNGJ-UHFFFAOYSA-N 463.933 1.889 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CSCCS2)C1 1760543069 MONBSMSJEHRBEW-BRWVUGGUSA-N 489.689 1.241 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1760557564 PKSCXRJHULYYAR-KRWDZBQOSA-N 461.588 1.340 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccco2)CC1 1760560508 XIGIFTKUXDFXCW-OAHLLOKOSA-N 468.605 1.363 30 10 JDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)C1 1760653398 BBEQZQUIQKBZDK-WIYYLYMNSA-N 451.575 1.890 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccccc2C#N)CC1 1767850144 AEGVTOPKFKBLNC-UHFFFAOYSA-N 466.571 1.396 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN(C(C)C)C2)CCO1 1769240982 AFUGCPGDYQDMNT-PZJWPPBQSA-N 451.575 1.888 30 10 JDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 1858971484 VUQXIMILYORNBT-UHFFFAOYSA-N 477.539 1.859 30 10 JDEE COC(=O)c1ccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)cc1 1866867006 LQCLEOXFZVHVKL-RBUKOAKNSA-N 470.551 1.927 30 10 JDEE CC(C)N1C[C@@H](C(=O)Nc2c(C#N)nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1=O 1870109293 PSCNCJROHWTMAS-ZDUSSCGKSA-N 455.431 1.168 30 10 JDEE C=CCNC(=O)c1nc(C(=O)N2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cs1 1889957131 WJERRLKOHROMCP-UHFFFAOYSA-N 480.476 1.868 30 10 JDEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2255637620 HQELUNLFUGOIEE-ZDUSSCGKSA-N 453.370 1.808 30 10 JDEE CC1(C)OB(c2cscc2S(=O)(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)OC1(C)C 2255955416 NKDKFYIEUYUYEZ-MNOVXSKESA-N 466.312 1.583 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2267526357 QTRDNTXTBJAOFQ-GJZGRUSLSA-N 450.345 1.224 30 10 JDEE Cc1c(C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267527004 AGRSQGIEEMLBNS-UHFFFAOYSA-N 458.315 1.918 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](CO)[C@@H](NC(=O)OC(C)(C)C)C2)n1 2282062544 ZWSXRPVPDCGNOR-ZBFHGGJFSA-N 464.372 1.067 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2282325267 BYGBPOIBLHLODI-SJORKVTESA-N 476.408 1.777 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@](F)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2282575438 CNUQARPFRWQEEW-NRFANRHFSA-N 468.335 1.414 30 10 JDEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CC[C@@H]1NC(=O)OC(C)(C)C 2282850891 UUZZSUZZTSUVKQ-GJZGRUSLSA-N 484.428 1.643 30 10 JDEE C[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@H]1CCCN1C(=O)OC(C)(C)C 2286864378 YAWFAODOFOVNLI-ZIAGYGMSSA-N 485.416 1.181 30 10 JDEE COc1ccc(OC[C@H](O)Cn2c(NN=C(C)c3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 2327751648 FHDNYFGPXQZAOC-GOSISDBHSA-N 492.536 1.718 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2335423842 KIHLZLSEFXFIOG-MRXNPFEDSA-N 468.381 1.862 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CN(C(=O)OCc2ccccc2)CCO1 2337192926 AIRYEAWLRZDVIJ-SFHVURJKSA-N 484.362 1.487 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2337405464 RYMXWJJGRYKGSU-LSDHHAIUSA-N 465.381 1.903 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2)CC1 105269479 HTSKMJIUPZPMST-QGZVFWFLSA-N 483.034 1.821 30 10 JDEE C=CCn1c(C)cc(C(=O)COC(=O)CCCC[C@@H]2[C@@H]3NC(=O)N[C@@H]3CS2(=O)=O)c1C 106894641 PYUJLKHWBCULBD-YVWKXTFCSA-N 451.545 1.424 30 10 JDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1cnn(CC)c1 523859142 GGHIJAWTNIGCOI-UHFFFAOYSA-N 451.552 1.161 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1286275173 NFTOLGSNFMOMNZ-AJSBUHFISA-N 463.648 1.985 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc2n1CCC2 1286294546 DQCPXFCFLPRDST-JKSUJKDBSA-N 456.551 1.630 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1286382519 SEGKAQNRVSFTQY-IBGZPJMESA-N 471.583 1.528 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1286385293 MIMZIULUPLIOHG-NVXWUHKLSA-N 489.989 1.875 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cccc(F)c2)CC1 1286486591 OVXLJZYMZGDKSY-MRXNPFEDSA-N 476.578 1.236 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1286496583 UOANZSQEPJETBO-BXWFABGCSA-N 457.622 1.029 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nc(O)c2sccc2n1 1286700462 NMMVMAPLQQXLFC-OAHLLOKOSA-N 493.615 1.924 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCCN(Cc2noc(C)n2)CC1 1286784637 OPKFMQRJOPPQMN-UHFFFAOYSA-N 466.546 1.660 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1286816368 HVUSOHWOWIPMHN-KRWDZBQOSA-N 452.602 1.868 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC(C)CC1 1286821011 YDATVBQPJUYFCJ-DAWZGUTISA-N 489.664 1.227 30 10 JDEE COc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCS(=O)(=O)N(C)C)cc1OC 1300051268 FOEYHTUOCKBTOL-NRFANRHFSA-N 462.576 1.984 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1300391552 PUTOHLNTCFMVSG-UHFFFAOYSA-N 486.642 1.752 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CC(=O)N(CCOC)C1)[C@H]1CCS(=O)(=O)C1 1300489831 TVWSCZBQKXZJFT-UNMCSNQZSA-N 499.637 1.629 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H](C)N2CCCCC2)CC1 1300710904 PQEAYDMNFVAPMH-LJQANCHMSA-N 457.623 1.647 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2noc3c2COCC3)nnc1N(CC)CCS(C)(=O)=O 1300880755 KOUUWNUUWIJPPS-HNAYVOBHSA-N 465.576 1.858 30 10 JDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1301169988 KUPFZKJGRKPPRK-KRWDZBQOSA-N 452.567 1.925 30 10 JDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1301216447 KKTWUORASAJZDA-DLBZAZTESA-N 458.567 1.998 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1301457801 AZXPKAKEMXNHOL-RDJZCZTQSA-N 466.539 1.379 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1301484157 CFKHDORSQGLGJN-PBHICJAKSA-N 473.375 1.972 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1301499749 FDPSJJAVAGXRST-QHAWAJNXSA-N 487.649 1.448 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1301578071 RIRFZBNSPOPZIN-UHFFFAOYSA-N 485.614 1.064 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCOc2ncccc2F)cc1 1302999889 GGXFUOAWTSGQDZ-UHFFFAOYSA-N 472.502 1.577 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC(C)(C)N1CCOCC1 1303832789 AILMGIWWFYARJW-INIZCTEOSA-N 453.613 1.129 30 10 JDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN(c3ccc(C(N)=O)cc3)CC2)CC1 1307482549 GTVQKHSCKHLLJJ-HXUWFJFHSA-N 452.584 1.378 30 10 JDEE COc1ccc(CCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1315454302 GQIMRHPOPLOGJB-DHIUTWEWSA-N 473.599 1.752 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OCCC 1358890598 RVPUIOXYGFDSAL-SJLPKXTDSA-N 462.576 1.301 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCC1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1358955122 DZHUQADDGWYZRV-FQEVSTJZSA-N 499.641 1.674 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCOCC(C)C)[C@@H]1CCS(=O)(=O)C1 1358955259 ISQLETAQXIHNOR-GOSISDBHSA-N 451.593 1.204 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1359044884 QWLSRXOUVZGREZ-GOSISDBHSA-N 468.524 1.775 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1359070069 DOUPECVZRIYFSH-YADARESESA-N 450.543 1.428 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCOCC1 1359070959 YTYPNAGABSSTEY-WIYYLYMNSA-N 481.619 1.046 30 10 JDEE C=CCC(C)(C)Cn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1359192699 LXGMBDPGDLCLMR-GAJHUEQPSA-N 460.579 1.068 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1ccnn1 1359256813 QQIXTPQSMUMPPC-FQEVSTJZSA-N 466.571 1.926 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 1359292837 YYJLYKQFRYDNCW-GDBMZVCRSA-N 476.559 1.261 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](OCC(C)C)C1 1359295851 PMCQCLDEZCWUOU-IBGZPJMESA-N 451.535 1.474 30 10 JDEE C=CCN1CC[C@@H](N(C)C(=O)c2sccc2S(=O)(=O)N2CCCC[C@@H]2CCO)C1=O 1467532113 QVMAUWOHYQGACS-HZPDHXFCSA-N 455.602 1.533 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)N4CCCC4)n3C[C@](C)(O)C(C)C)CC2)c1C#N 1492726973 CURPKUGVUKIGEO-QHCPKHFHSA-N 469.594 1.161 30 10 JDEE CS(=O)(=O)c1ccc(OCCn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)cc1 1505120511 GQBAFEZDFRYPJW-IBGZPJMESA-N 468.539 1.475 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507621996 ADFJSGZIMLJLHP-DLBZAZTESA-N 478.644 1.407 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1507627626 KUFZOBUTXABEPU-FOIQADDNSA-N 462.963 1.099 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507631314 NXGKLYREHGUENI-YLJYHZDGSA-N 498.609 1.490 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1507631927 VBISTSYAAQHKBY-MRXNPFEDSA-N 454.556 1.619 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1507632924 QUVJDFOMHZAGGR-JKSUJKDBSA-N 484.550 1.133 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCS(=O)(=O)CC1CC1)[C@H]1CCS(=O)(=O)C1 1507635573 XHBNQGFCDXZGBA-KRWDZBQOSA-N 456.634 1.318 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1507636845 DYWBYIDRMXSUNK-TYPHKJRUSA-N 473.599 1.575 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507713403 IONAGLARCMLFAK-QGZVFWFLSA-N 472.537 1.983 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1508059078 LIMKILKIZQMALZ-ZWKOTPCHSA-N 469.514 1.653 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCNC(=O)CC1 1508077540 OASXHBULIFGTFK-UHFFFAOYSA-N 467.755 1.990 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1508140344 MZKVFAJVRIPGNR-UHFFFAOYSA-N 489.627 1.693 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCOCC1 1508405160 CSPURIZZXZUYHC-IBGZPJMESA-N 451.575 1.990 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(F)cc2)n1CCS(=O)(=O)N1CCSCC1 1508426445 GHQFTGICDJFOHD-INIZCTEOSA-N 482.607 1.971 30 10 JDEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)N2CCOCC2)CC1 1508632129 AXPWPDLFCBCOPB-HSZRJFAPSA-N 491.568 1.693 30 10 JDEE CC(C)(C)OC(=O)N1CCN(CC(=O)NC2CCC(Oc3ncccc3C#N)CC2)C(=O)C1 1537736059 AZWUOCUYZKNJNZ-UHFFFAOYSA-N 457.531 1.839 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCS(=O)(=O)C(C)(C)C)c1 1539039112 YYLLMBCJDVPAQX-UHFFFAOYSA-N 488.614 1.686 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC(=O)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539200260 DOVFKCSUYSNSGS-LJQANCHMSA-N 484.582 1.170 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1539206148 MNTPTTWCZGHXFU-UTKZUKDTSA-N 479.628 1.645 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2c(CC)noc2C)CC1 1539469264 QGDPSWYTMLRDCQ-XMMPIXPASA-N 470.574 1.803 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCSC2(C)C)CC1 1539481947 QDHWBSVANBXJJQ-QZTJIDSGSA-N 479.672 1.678 30 10 JDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1539510688 MTRPCQGGGQTCDR-UHFFFAOYSA-N 481.557 1.968 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([C@@H]2CCOC2)CC1 1540864959 PZWQBMFZHHQNSB-LJQANCHMSA-N 473.599 1.904 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1540867489 XUXOIRNMPYOBBW-QGZVFWFLSA-N 469.571 1.314 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(S(C)(=O)=O)CC2)cc1 1540877534 YNTFURHIMWWBAI-MRXNPFEDSA-N 497.643 1.515 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCNC(=O)[C@@H]1CC 1540904067 JYTFYEICNBSLCD-KRWDZBQOSA-N 453.515 1.463 30 10 JDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1540913341 LUGFOOHXNLNGFL-UHFFFAOYSA-N 483.598 1.406 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ncn(CC(=O)NCc3ccccc3)n2)c1 1584178303 KJECHYHZIRADTC-UHFFFAOYSA-N 451.508 1.644 30 10 JDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1587922029 QCTPWPHJJVJHAO-UEXGIBASSA-N 451.593 1.204 30 10 JDEE C#CCN(c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1 1588068917 CEASISSHXWZBKQ-HSZRJFAPSA-N 484.670 1.926 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cc(C(C)(C)C)no1)[C@H]1CCS(=O)(=O)C1 1588069293 LCLRYYAMVVDFBR-INIZCTEOSA-N 474.587 1.361 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cn(CCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1588070077 VYGQQFKFESSWSB-FQEVSTJZSA-N 487.630 1.381 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(C)(F)F)cc1 1588138604 GKGBKQQXVLCVPY-LJQANCHMSA-N 477.537 1.844 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC(C)C 1588400247 YOHZCHMSPGJOEY-KRWDZBQOSA-N 484.623 1.374 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(C)COCCO1 1588695804 HYDMHWXSBBXBTI-IEGUWTFLSA-N 463.579 1.940 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCn2ccnc2C)CC1 1588924202 XBODHAVXMBJNQD-LJQANCHMSA-N 452.563 1.180 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ncnn1CC(F)F 1589482063 FPLZBIBIFGLKFK-QAPCUYQASA-N 464.521 1.988 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC1CCOCC1 1589547356 UIILOFMRRMYFIS-ACRUOGEOSA-N 497.662 1.845 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CC1 1595116109 PIJQOPHBEOVQBI-NZQKXSOJSA-N 475.615 1.965 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCCO2 1595218775 NMWJKDFZLPAJDK-HXUWFJFHSA-N 475.571 1.609 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1595577090 IRLIBIZRQZWCEN-ZDUSSCGKSA-N 499.519 1.077 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC[C@@H](C)C2)C1 1595728927 HMKSWFMRAXOBFP-MKXGPGLRSA-N 453.609 1.829 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(C)c2)CC1 1595760761 SDRIUUMXVWOKHX-SFHVURJKSA-N 496.659 1.124 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCOC1 1595760767 SGHDPSBNSFNZET-KRWDZBQOSA-N 467.979 1.687 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1595766423 QCGLKCBEMSJJLI-YLJYHZDGSA-N 490.586 1.611 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1595798219 NPVRAZZHLQXJNI-ZWKOTPCHSA-N 451.593 1.364 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](C(F)(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1595831833 XIOUNFRCWVWMST-YJBOKZPZSA-N 482.525 1.687 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1595844647 GEVBFIMDHQRLBB-CABCVRRESA-N 465.667 1.211 30 10 JDEE CCN1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1615807153 DPIJVGGOYGCLRG-HXUWFJFHSA-N 467.574 1.508 30 10 JDEE C=CCNC(=O)N[C@@H]1CCN(C(=O)CC(C)(C)C)[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(N)=O 1616125353 FKJVUMFGWWXDRO-GGPKGHCWSA-N 457.575 1.090 30 10 JDEE CC[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H](c1ccc(C)cc1)n1cncn1 1623255703 FCAQAOHQCSEPHN-UNMCSNQZSA-N 452.540 1.921 30 10 JDEE C=CC[C@@]1(C(=O)N2CCN([C@]3(C(=O)OC)CCOC3)CC2)CCCN1C(=O)OC(C)(C)C 1629779149 LOBPEWZILCLAEB-XZOQPEGZSA-N 451.564 1.809 30 10 JDEE CCN(CC)C(=O)CN1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1634187844 HWKXIDCDPTYAPI-OAQYLSRUSA-N 454.575 1.639 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)s1 1634323145 MHJTZUJIVXHXCY-AWEZNQCLSA-N 459.590 1.507 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](Oc3ccnc(C(=O)NC)c3)C2)c1 1664956940 NEPCDNPQMAFLRQ-GOSISDBHSA-N 458.540 1.589 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1689824605 SXXKXMNKJRUAEK-LJQANCHMSA-N 450.591 1.557 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1nc(C(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1689988410 OHDNNYIRISQEGZ-LSDHHAIUSA-N 476.628 1.658 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCC)c1 1690104080 LVXJAIKTLQPGJU-LJQANCHMSA-N 459.572 1.064 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)nc1 1690104227 QDHJZUWNYKKROH-MRXNPFEDSA-N 487.504 1.651 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1690152593 QMLSIMJLTDQUBX-AREMUKBSSA-N 480.613 1.506 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@H]1CCOC1 1690661735 FRBLUWMZVRMFGL-MRXNPFEDSA-N 461.592 1.322 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1690666776 GFCZOPLUUIYBKP-INIZCTEOSA-N 461.530 1.694 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C(=O)OC)C2)cc1 1690679237 OJKZYHMKTCEKJA-WBVHZDCISA-N 463.560 1.501 30 10 JDEE CC(C)CN1CCO[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)C1 1692436309 FFNWTZCFIQMDGQ-FQEVSTJZSA-N 453.547 1.022 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCc1ccc(S(N)(=O)=O)cc1 1705497625 FDPSRIHJAVRTGT-QGZVFWFLSA-N 463.567 1.865 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1705559587 DAOXBLZTQDIJTC-KRWDZBQOSA-N 472.571 1.369 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705566341 NJDCGUPSXAKCIC-WTGUMLROSA-N 476.647 1.224 30 10 JDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC[C@@H](C(F)F)N1CCOCC1 1705611422 CQSUVCAESWMEND-INIZCTEOSA-N 450.490 1.821 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCC(=O)N[C@H](C)CC)CC1 1705638676 SSGHDNGEGNAUKE-GOSISDBHSA-N 476.585 1.252 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2nccc(C(F)(F)F)n2)CC1 1705647788 KGUFATKRTVCBQO-INIZCTEOSA-N 477.491 1.799 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 1705651963 LYIIBAXWFPPTBQ-YQVWRLOYSA-N 466.677 1.708 30 10 JDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705659347 SOCUDZDXZNEYDN-AWEZNQCLSA-N 451.574 1.386 30 10 JDEE C#CCSCCn1c(N2CCN(C3CCOCC3)C[C@H]2C)nnc1[C@]1(OCC)CCOC1 1705664849 CXDUUJGQVWMBFA-XXBNENTESA-N 463.648 1.986 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)c(OC)c2)C1 1705924882 GYFKUAMPTRKUGZ-TZIWHRDSSA-N 491.614 1.758 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)NC)CC1 1705931190 ILZIAXGPZLESME-UHFFFAOYSA-N 497.419 1.770 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(C)=O)CC1 1705931351 NGBCPCLMVNMKHO-UHFFFAOYSA-N 482.404 1.977 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CN(Cc2ccccc2)CCO1 1706848702 HCWJFKGKJWGIPW-WSTZPKSXSA-N 475.619 1.528 30 10 JDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1710888726 APASDNWWZSDSRC-HXUWFJFHSA-N 499.641 1.983 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1722419087 NESNAFXCNSDQIF-UHFFFAOYSA-N 462.558 1.846 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(S(N)(=O)=O)cc1 1722423600 JQKKQNWAIYDTNM-UHFFFAOYSA-N 474.974 1.970 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722507175 WXBCJCKTABAFKJ-JYLXEMOASA-N 458.563 1.481 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1722519087 HLXODGCULMKIEL-QGZVFWFLSA-N 476.603 1.364 30 10 JDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722535063 XZRFLJRJFKNQLL-KRWDZBQOSA-N 486.598 1.798 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1722559716 GQCMJMADZRNJTN-HZPDHXFCSA-N 462.567 1.401 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1722698638 JDMWUEAYJMLCKS-VGSWGCGISA-N 494.017 1.320 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1722726744 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C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)C(=O)OC(C)(C)C 1740900428 QHYGOSMZPWQDEH-INIZCTEOSA-N 472.612 1.490 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1740958073 HWOFDAJPLJFRKT-HKBOAZHASA-N 487.649 1.639 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1740958620 RTHLICNHLJDEDO-LJQANCHMSA-N 465.558 1.239 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1740966506 ZGCVISYAUSHEGQ-MHECFPHRSA-N 476.622 1.611 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2N(C)CCCC2(C)C)C1 1740979186 BWOQTGYDBDECKQ-VAMGGRTRSA-N 496.678 1.513 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1740989197 DUJSYPCGCHRMFV-JOCHJYFZSA-N 482.610 1.797 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1740990739 YVVRMNAQURWVGB-UHFFFAOYSA-N 483.554 1.012 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(CN4CCCC4=O)n3CCN(C(C)C)C(C)C)CC2)c1C#N 1742668812 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C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1595544444 IHJLKRXWYYAVAZ-KRWDZBQOSA-N 454.597 1.120 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 1595722805 NHNAQPYSXFKSLF-WOJBJXKFSA-N 494.639 1.554 30 10 JDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1 1624112868 FEPAUXZQLISFII-INIZCTEOSA-N 458.515 1.739 30 10 JDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 1653261991 BPEPPONGVLGZME-NRFANRHFSA-N 459.547 1.014 30 10 JDEE CS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)c1 1653401546 ANMVFDHXJMMMHZ-UHFFFAOYSA-N 451.508 1.970 30 10 JDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC 1660870673 NQNDAIHCBOJJDP-UHFFFAOYSA-N 451.545 1.739 30 10 JDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1689901962 SMRUUGXFTVRNCK-UHFFFAOYSA-N 483.642 1.818 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCCCC2)nc1 1689965756 CLKZWQHYSVUNEA-IBGZPJMESA-N 473.603 1.114 30 10 JDEE C#CCN(c1nnc([C@@H](C)CC)n1CCNC(=O)c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689979933 JMAMDKTVZHRICD-PKOBYXMFSA-N 473.599 1.857 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1689981743 AOUHLJDEHPNXIJ-LQWHRVPQSA-N 450.561 1.250 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1CCN(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1689982028 GOOUKEBCYMRKLK-URXFXBBRSA-N 493.674 1.679 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=O)NCC(F)(F)F)CC1 1690125044 ZMBIRYHENPYHIU-QGZVFWFLSA-N 464.448 1.224 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2csc(CC)n2)CC1 1690144393 XKLDFROAGMSZTM-UHFFFAOYSA-N 450.572 1.963 30 10 JDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1690160064 VXEJZSXDWLIEPS-FQEVSTJZSA-N 483.598 1.963 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690165752 IZVIUGSZKHAUHH-UHFFFAOYSA-N 468.583 1.247 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2CCOCC2)CC1 1690237232 WTCSFMGGKUTBST-TYPHKJRUSA-N 496.678 1.418 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C1 1690685258 ZACQOMNICUUXFE-DLBZAZTESA-N 474.528 1.851 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(CCC(C)(C)C)CC1 1690713989 BBIFVQXIUFRNRC-UHFFFAOYSA-N 454.641 1.575 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705562691 HYZKCMIRLZDFQW-FXAWDEMLSA-N 478.018 1.946 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CCCN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1705565847 WZIUKCSQXLSXGT-JOCHJYFZSA-N 470.643 1.599 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccccc1S(=O)(=O)N(C)C 1705596217 XGMVSLZIKOEPHX-UHFFFAOYSA-N 494.577 1.767 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC1CCCC1 1705597299 BDLWMDDCLCZFII-FQEVSTJZSA-N 463.604 1.423 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCNS(C)(=O)=O 1705702934 PLGFWRVORMULDZ-UXPWSPDFSA-N 477.587 1.757 30 10 JDEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN(C(C)=O)C1 1705883110 WAUQEQGOIXZYCM-IBGZPJMESA-N 465.562 1.818 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(O)cc2)CC1 1705936676 WGDHAGVEEMURDX-SFHVURJKSA-N 461.588 1.805 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1c2ccccc2C[C@@H]1C 1706870732 HRJIQLDMTJSUDW-CKJXQJPGSA-N 461.567 1.781 30 10 JDEE CCN(CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1)S(C)(=O)=O 1710143220 FKQQJHZCYWBPEJ-LJQANCHMSA-N 473.559 1.129 30 10 JDEE CS(=O)(=O)N1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)C1 1712703409 BBCRRWQPIQWNHT-DOTOQJQBSA-N 484.504 1.866 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC)c1OC(F)F 1722353516 WYAHRZCNNGWRPW-KRWDZBQOSA-N 499.540 1.729 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722370862 REFCRGUAECYVQT-LJQANCHMSA-N 474.583 1.919 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CCN(C(C)=O)CC2)CC1 1722430935 KFBNFOLBJJSVGR-FQEVSTJZSA-N 483.592 1.477 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(O)CCC2)CC1 1722440806 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C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1722728774 XYPFUUNHRJBYOO-MAUKXSAKSA-N 495.627 1.431 30 10 JDEE Cc1nnsc1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1 1724133170 FYNDMNJRYAWQGN-IBGZPJMESA-N 476.563 1.846 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCc2ccccc21 1740608531 BWSUZXCODSETGH-PXNSSMCTSA-N 458.588 1.132 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CCCn1cc(CO)nn1)[C@H]1CCS(=O)(=O)C1 1740619895 MKDZIVSQCLLHIX-IBGZPJMESA-N 469.571 1.054 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1740627232 ZHPZHNHTKOJKCG-QGZVFWFLSA-N 457.535 1.304 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1740689845 JCFPEQVBKOHXCS-SFHVURJKSA-N 491.017 1.051 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCN2CCCCC2)CC1 1740696098 LZUUYXFIGTUTFL-NRFANRHFSA-N 487.649 1.828 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(C)c2)CC1 1740705545 IBQXRWAYLYENNE-OAQYLSRUSA-N 469.611 1.697 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)cc2F)CC1 1740708457 QGVNGYBMQUEURZ-UHFFFAOYSA-N 468.533 1.562 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1740710438 XGEJUQSZEVNVFD-SFHLNBCPSA-N 458.607 1.595 30 10 JDEE C=C(Br)Cn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@@]1(OCC)CCOC1 1740748736 JXZMOWWUOGBHAE-LJQANCHMSA-N 483.367 1.359 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740941010 ZLXWMOWWDRLXAX-SQNIBIBYSA-N 466.608 1.072 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(CNC(C)=O)CC1 1740960742 ZHFYRPHGFFWJBD-HXUWFJFHSA-N 454.531 1.445 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1740990041 GRKGOVYQRSRJPV-UHFFFAOYSA-N 489.646 1.945 30 10 JDEE CC(C)NC(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C#N)C1 1741690401 IBNKIYWZCGIGOG-JOCHJYFZSA-N 480.617 1.286 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1741710639 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C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1760188794 MVUNIUOQKZAOHJ-HZPDHXFCSA-N 452.631 1.154 30 10 JDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CN(CC(C)C)CCO1 1760207755 VKBKGNPGTKSIEZ-LJQANCHMSA-N 454.600 1.699 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCN(C(C)C)CC1 1760216581 TUNXXKVSAXSTKC-UHFFFAOYSA-N 487.608 1.890 30 10 JDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760223782 MDZZELBIYZEFSB-UHFFFAOYSA-N 465.558 1.118 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C/c1ccccc1 1760249888 UTXZGNOYNBBQDO-OJLWIZQOSA-N 459.572 1.410 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[C@@H]2COCCO2)CC1 1760267357 JKDNBIOABVRWMI-HXUWFJFHSA-N 483.569 1.734 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1S(=O)(=O)N(C)C 1760494933 AFBOBSVCLXHSHT-SFHVURJKSA-N 479.628 1.657 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760507690 YJFZREPDTQGBIN-KRWDZBQOSA-N 458.544 1.301 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760510452 YNYJGBAMEADSLQ-BZUAXINKSA-N 451.524 1.133 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760528327 YYLONSTWSMFANP-INIZCTEOSA-N 458.519 1.445 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@@H]1C 1760532893 IJCAIFANOHQWNQ-FUHWJXTLSA-N 459.572 1.460 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1760556170 WIDHNJOXZMRRIJ-IRXDYDNUSA-N 451.593 1.268 30 10 JDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN(C)CC(F)(F)F 1765012555 BWROVSGSTNJRRQ-QGZVFWFLSA-N 465.480 1.938 30 10 JDEE Cn1cc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)cn1 1769013057 FFHZZICTCKVADZ-UHFFFAOYSA-N 454.560 1.265 30 10 JDEE Cn1nccc1[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1769079577 HIYHHPCKUCHYIU-GOSISDBHSA-N 454.560 1.483 30 10 JDEE CS(=O)(=O)NCCCC(=O)Nc1ccc(CC(=O)Nc2ccc(C#N)cc2)cc1[N+](=O)[O-] 1860846701 XDVAPASVPSGGIY-UHFFFAOYSA-N 459.484 1.916 30 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Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2282183156 CKZRQDVUALWVFY-RBUKOAKNSA-N 451.380 1.708 30 10 JDEE Cc1nc(S(=O)(=O)N[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282508300 UPKJMJAGUBXQQX-HUUCEWRRSA-N 484.428 1.752 30 10 JDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)CC2(O)CNC2)c1 2282554329 BUZGRLYRHJWRLT-UHFFFAOYSA-N 452.360 1.971 30 10 JDEE CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282851813 HMNZRBGHZVGDNZ-LJQANCHMSA-N 474.436 1.862 30 10 JDEE CC[C@@]1(NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN(C(=O)OC(C)(C)C)C1 2282860505 BJEGAXRSDPFEOE-HXUWFJFHSA-N 485.416 1.182 30 10 JDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2343638696 HNYXUNPIJYQINL-DZGCQCFKSA-N 452.336 1.749 30 10 JDEE C=CCn1c(COc2ccccc2)nnc1SCC(=O)N1CCN(CC(=O)NC(C)C)CC1 253568546 LIVDLXRFZLMRLH-UHFFFAOYSA-N 472.615 1.804 30 10 JDEE C=CCn1c(SCC(=O)N(C)CC(=O)N2CCOCC2)nnc1[C@H]1COc2ccccc2O1 503701267 PTSCTSKVEAPFRG-GOSISDBHSA-N 473.555 1.386 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1C[C@H]1CCCO1 514648640 KWKTYIBSNSVDRD-MRXNPFEDSA-N 461.490 1.495 30 10 JDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc3c(cc2OCCOC)OCO3)c1=O 522109636 IVHOCSFJTQWULE-UHFFFAOYSA-N 468.531 1.722 30 10 JDEE CCCCCCCCNC(=O)Oc1ccccc1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1NC(C)=O 616582597 ULFHIENXDOWOOW-AHJNKEMKSA-N 468.547 1.458 30 10 JDEE C=CC[C@H]1CCCN(CC(=O)N(CCOC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1171841571 PZGZGUYDZOCRLV-SFHVURJKSA-N 455.559 1.847 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286390597 BTIYIDNZLIHIJZ-YCRNBWNJSA-N 474.583 1.066 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1286391422 IIMKXYGCSNRRQH-FQEVSTJZSA-N 497.625 1.306 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1286398380 XUUPRKKJFXVGBK-ICSRJNTNSA-N 459.616 1.996 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CCCNS(C)(=O)=O 1286400451 GLTLUSQDPWLDAD-UHFFFAOYSA-N 450.362 1.720 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)N1CCN(CC)CC1 1286463772 LWVMVKVBYRCTII-FQEVSTJZSA-N 468.602 1.828 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2COCCO2)CC1 1286487343 NCDLFFYAUROXGH-IBGZPJMESA-N 454.487 1.235 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1286601076 HLURHIDCNFOVAI-FQEVSTJZSA-N 496.616 1.651 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC(C)(C)C1 1286758834 WJXHKHJJSOMQIG-LJQANCHMSA-N 466.652 1.911 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3nsnc3c2)C1 1286800189 HQKSHFZHGOZELX-DZGCQCFKSA-N 463.589 1.723 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1286824213 XHLVTNZFUBRNKN-IBGZPJMESA-N 461.588 1.871 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1286824665 GIKNOKARMWPLAL-ZJOUEHCJSA-N 481.663 1.914 30 10 JDEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(=O)N(C)C[C@H]1C 1286829389 YASQUWDZYGBUMS-OAHLLOKOSA-N 463.633 1.824 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-c1cnn(C)c1 1300311836 WDWZIUNOMGSVDQ-UTKZUKDTSA-N 483.598 1.518 30 10 JDEE C#CCCCn1c(N2CCN(CC(=O)Nc3cc(C)on3)CC2)nnc1[C@@]1(OCC)CCOC1 1300424842 NANMUBWCVBLDHO-HSZRJFAPSA-N 471.562 1.401 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1300478889 FUJFWPHIMFPTPC-FUHWJXTLSA-N 451.593 1.250 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1300688895 MBNIBBWUBKFQRM-SFHVURJKSA-N 488.539 1.797 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccon1 1300885311 OQHHTIDOZMLAKR-SZMVWBNQSA-N 466.564 1.217 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)C(C)C 1301367080 KLVGZCNMKZPVJM-FQEVSTJZSA-N 495.632 1.898 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1301575936 NDKSVJTYFLMIEY-INIZCTEOSA-N 493.586 1.840 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1301588162 XYSGXDPGBAKZNU-NRFANRHFSA-N 473.643 1.937 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1301588502 FZYAZKGONNAKHQ-KRWDZBQOSA-N 489.664 1.023 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](N1CCOCC1)C(F)(F)F 1358885147 DRYBHBFGBIKSPE-YJBOKZPZSA-N 489.502 1.913 30 10 JDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1358929988 LUNXBIMSTPHMNM-FGTMMUONSA-N 474.562 1.935 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1358949188 VHQCBUXACGQQSE-NQIIRXRSSA-N 488.614 1.216 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC(F)F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1358954945 BDEKNYPECRCASY-HNNXBMFYSA-N 499.515 1.832 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCOC[C@@H]1OC 1358968638 TVCPUQDFCMKLMA-QUCCMNQESA-N 455.946 1.986 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CC=CCC1 1358991546 FQRRYMDWAAMIKQ-UHFFFAOYSA-N 451.600 1.963 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCOC[C@@H]1OC 1359015218 MGEMOADFMBQVDX-HQRMLTQVSA-N 479.578 1.719 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCN(C)C1 1359025007 ZYPGTQHQDHPDHM-CYFREDJKSA-N 476.622 1.545 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359104152 YQFSPXRMUNERDD-WFXMLNOXSA-N 488.614 1.592 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCc2c1cnn2C 1359126079 FBVZPGKEXHXXHX-RDJZCZTQSA-N 451.597 1.728 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1359131922 IXKCUZPCMYBOHG-KRWDZBQOSA-N 454.597 1.072 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1359150739 FTMARQYBTPJZCF-ROUUACIJSA-N 499.041 1.488 30 10 JDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCOC[C@H]1C 1359243669 ZIYBMZVZVGNHKA-JOCHJYFZSA-N 453.635 1.986 30 10 JDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1359283483 UJZAZPMMACFRAZ-INIZCTEOSA-N 469.011 1.929 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1359291065 CXHWYFYZJNOTKY-JOCHJYFZSA-N 455.519 1.002 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@](C)(OC)CC1 1359298818 MPBPPGWMZVDNIC-QFIPXVFZSA-N 475.619 1.936 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1359305865 PFENWZOHYXKSCB-JOCHJYFZSA-N 456.572 1.598 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC=C(COC)CC1 1359328348 ANLXFJDJWSSQNO-UHFFFAOYSA-N 480.612 1.732 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1359329195 BLDSUJURZBLDAH-HXOBKFHXSA-N 492.598 1.947 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1359329199 BMRBPOVNSZHMEU-OAQYLSRUSA-N 480.612 1.570 30 10 JDEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCC1(O)CCOCC1 1495721479 CAGGADMZYTWAEY-KRWDZBQOSA-N 456.595 1.963 30 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1508071837 FDEZJAJPNYFMHL-CQSZACIVSA-N 477.323 1.607 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCC[C@@H]21 1508134897 IHAPZWHQVZEIOX-HKUYNNGSSA-N 479.628 1.785 30 10 JDEE CC(C)N1CCC(O)(Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1509554554 HCQYVHOSMYMLJS-FQEVSTJZSA-N 458.538 1.960 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCc1ccccn1 1510226568 DZLXLWHKKWFEJW-DYESRHJHSA-N 481.582 1.976 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CC1)N(C)C 1517105294 FJWFIJQAVYMWNF-LEWJYISDSA-N 487.630 1.459 30 10 JDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1517428242 CFYWAFLZPIASBV-UHFFFAOYSA-N 480.573 1.163 30 10 JDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cc2cccc(S(=O)(=O)CC)c2)c1 1528405247 SSNPTCHNGBYKAZ-UHFFFAOYSA-N 454.548 1.896 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1539072509 RXAHJTGOHXDZLO-QRVBRYPASA-N 451.593 1.562 30 10 JDEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539097412 MEOASSJUROHSCG-AWEZNQCLSA-N 475.322 1.407 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1539201664 BORQUQYWKBATHC-ZWKOTPCHSA-N 473.603 1.282 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1539221191 YRQUIZFAQBBVGR-SFHVURJKSA-N 464.613 1.555 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(CS(C)(=O)=O)cc1 1539284423 MUGVHHMTZQLXQR-SFTDATJTSA-N 456.568 1.668 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCC2CCN(CC(F)(F)F)CC2)CC1 1539428908 XRXUMWHKJOLHJQ-UHFFFAOYSA-N 469.556 1.836 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(CS(C)(=O)=O)CC2)CC1 1539434146 AKTFSLBLQPJBIE-UHFFFAOYSA-N 481.420 1.616 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc3c(c2)CCO3)CC1 1539466804 HQCYPHGPRULJLZ-UHFFFAOYSA-N 464.570 1.560 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2c(F)cccc2F)CC1 1539469630 SLYZDXMCLPRJSP-HNNXBMFYSA-N 494.568 1.375 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1540005314 KGDCEXXOCYSXJJ-IAGOWNOFSA-N 456.576 1.523 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1540864551 DCOINNVLGMGANT-SUMWQHHRSA-N 489.374 1.733 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1540899405 MUFJCZBJBFQKOJ-AWEZNQCLSA-N 476.983 1.962 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1540903659 FCXUTVWXDFDMNY-UHFFFAOYSA-N 458.588 1.360 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1540907260 QETDMNLPQPGBTN-UHFFFAOYSA-N 454.512 1.880 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)C(C)(C)C)CCO1 1541073755 CSFJJPXFHDYHFX-IBGZPJMESA-N 474.587 1.371 30 10 JDEE C[C@@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1541878491 BYZNDUNCCFWDJY-GHTZIAJQSA-N 472.615 1.798 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1588040602 PDMNIOURSPVXMI-QGZVFWFLSA-N 470.555 1.371 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCNC(=O)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1588054923 PYMYKJFQSJCLBC-ZWKOTPCHSA-N 489.573 1.368 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(C(N)=O)CCOCC2)CC1 1588752945 XOVJEDDOVNGDMJ-GOSISDBHSA-N 470.549 1.595 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1588976028 PRCGXDGAZWFVJX-SFHVURJKSA-N 482.614 1.874 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1C1OCCO1 1589151448 ZKBPWLRMGYWIPB-KSFYIVLOSA-N 459.572 1.974 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCO2 1589663218 KDTPOCITCZQIHE-LJQANCHMSA-N 463.560 1.790 30 10 JDEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CC)C1)c1ccccc1 1593788837 DHDMGESVLMHCKQ-WOJBJXKFSA-N 461.588 1.940 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1594192485 JJOSIJPKRKXTSX-DOTOQJQBSA-N 494.584 1.944 30 10 JDEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1595442581 UTBANKIYYJBPPP-UHFFFAOYSA-N 477.569 1.855 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(F)cc(C)c2C1 1595799299 YOLCJNBRUFTCES-QGZVFWFLSA-N 482.603 1.791 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCN(C[C@@H]4CCCO4)CC3)n2CC(=O)NCC(F)F)c1 1620348652 AWXAFCOMXDLHOM-SFHVURJKSA-N 459.501 1.499 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3NC(=O)OC(C)(C)C)cc2)CC1 1626905438 GKQQHVVWPIFBHB-RBUKOAKNSA-N 477.587 1.684 30 10 JDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(=O)n2ccccc2n1 1628278126 CYOIUJAKGSQJPQ-QGZVFWFLSA-N 453.524 1.464 30 10 JDEE Cc1cn2nnc(C(=O)N3CCN([C@H](C#N)c4ccc(Br)cc4)CC3)c2c(O)n1 1633103414 CNVCUTLPJCNPAT-OAHLLOKOSA-N 456.304 1.924 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(-c3ccc(C(F)(F)F)cc3)noc2C)CC1 1636480045 JTTNZUSTYITETF-UHFFFAOYSA-N 456.446 1.894 30 10 JDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](OC(=O)N(C)C)C1 1641030839 AMIZWXPJUSZBIE-WBVHZDCISA-N 450.561 1.829 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC3(C(=O)NCC)CCC3)nnc12 1650982375 GMZPYNPOGCBESR-UHFFFAOYSA-N 454.556 1.745 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNS(=O)(=O)CC 1689847646 DZSVNMGYFVNMJK-HNNXBMFYSA-N 457.560 1.072 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC)c1OC 1689850866 IHXFJFWEDFQRBN-WBVHZDCISA-N 462.572 1.907 30 10 JDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccnc1N1CCOCC1 1689974047 ZQIIVPTZVRRJMV-UHFFFAOYSA-N 451.556 1.619 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1689977939 HNFZBWBEPWZNLE-MRXNPFEDSA-N 454.512 1.502 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1689980561 UMKVVPRCRHFVII-FUHWJXTLSA-N 491.589 1.956 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](CC)Oc2cccc(F)c2)CC1 1690124717 SDEQTVDHDBEOIR-AZUAARDMSA-N 475.590 1.932 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C(N)=O)cc2)CC1 1690145925 AWTJAYRIKIJXMW-HXUWFJFHSA-N 450.543 1.285 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1690148728 RLKMQNQNRVHNIC-LJQANCHMSA-N 499.637 1.668 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(OCC(N)=O)CC1 1690250057 CPGYSYKKLSJBLV-KKSFZXQISA-N 488.614 1.722 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1690432447 DMOYYEGRSWMGFQ-RTBURBONSA-N 451.637 1.941 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)CC)C1 1690432646 IIWAITOHPYBPLA-ROUUACIJSA-N 482.651 1.708 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1690662288 XPYWYTGLAHOZRV-GASCZTMLSA-N 480.411 1.883 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690715920 XWRIDOBODRTSIW-PMACEKPBSA-N 472.615 1.977 30 10 JDEE CS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1698306260 CAQGYIQXPCJVNR-UHFFFAOYSA-N 455.519 1.722 30 10 JDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCN1CCC[C@H]1CO 1705551227 JRYCHNAFRBYFOH-VQTJNVASSA-N 476.622 1.893 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1705563311 VAUGTWMMFCEBMH-DYESRHJHSA-N 463.629 1.911 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCN(C)C(C)(C)C2)CC1 1705634496 YNRPALWSQSSEKU-UHFFFAOYSA-N 489.466 1.817 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1705811263 BRIVQLWMGWHFHP-CHWSQXEVSA-N 452.503 1.359 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1705898153 CGDPAWZDKCUTQV-UHFFFAOYSA-N 497.600 1.992 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705899448 STWKAQMKFBPWBH-IBGZPJMESA-N 455.538 1.129 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1705901201 DTZQHYHSGCTFAJ-KRWDZBQOSA-N 471.949 1.034 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1705931382 OEQFWAVMCKGMKA-MOPGFXCFSA-N 454.556 1.665 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1705938591 DIJBDPFAJGPDDJ-YRXWBPOGSA-N 455.625 1.522 30 10 JDEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 1710265806 HYJNUKYPBZYWER-PZJWPPBQSA-N 464.618 1.935 30 10 JDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1722343172 DHAOPHIQOYHVIP-DEOSSOPVSA-N 455.559 1.903 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1C1CCCCC1 1722352347 OGMXRLTYMUYLEZ-UXHICEINSA-N 464.636 1.478 30 10 JDEE C#CCN(c1nnc(C2CC2)n1CCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1722368798 SVYQYHHVXGLPPI-OAHLLOKOSA-N 453.366 1.441 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1722371881 MLIUYILAMFKTJD-LJQANCHMSA-N 473.599 1.625 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1722372261 SLQUEGNJWRLZNK-SFHVURJKSA-N 487.582 1.093 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)C(=O)NCC 1722389533 JKMMYMYHNNBMCZ-UHFFFAOYSA-N 455.584 1.974 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1722438618 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C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)Cc1cc(Cl)ccn1 1595506536 CUFXTUMYVCWIED-UHFFFAOYSA-N 464.921 1.908 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncccc2C#N)CC1 1595570194 ZVTWYBZTYGNNQQ-UHFFFAOYSA-N 460.546 1.035 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1595640175 UHTWNSGAAVFOSG-HXUWFJFHSA-N 495.584 1.796 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1595811908 GSZJVYZNNVFTQK-GHTZIAJQSA-N 478.663 1.210 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1595821816 CXQQDFZOSMRBMH-IBGZPJMESA-N 462.620 1.872 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCNC(=O)c1ccco1 1609508539 BDKYZKMOHYKCPJ-FQEVSTJZSA-N 477.525 1.889 30 10 JDEE CCOC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1616026754 FKMATXSPXRVTMJ-IBGZPJMESA-N 481.557 1.970 30 10 JDEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CC1 1618879476 ARSVPZGCUUPTON-UHFFFAOYSA-N 454.531 1.890 30 10 JDEE 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1.884 30 10 JDEE C=CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1690521466 ZJANOGNBQHPBJF-UHFFFAOYSA-N 450.561 1.914 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(=O)NCC)CCC1)C1CC1 1690544792 BANSVKZGSVKQQF-QGZVFWFLSA-N 466.608 1.072 30 10 JDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1690740058 HSRRVEHDFICCBP-GHTZIAJQSA-N 472.663 1.977 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cc(Br)cn1 1705545414 ZNQHMRYLKYMOLG-UHFFFAOYSA-N 492.403 1.924 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccs1)N(C)C 1705552194 WHTWNGYETXSUPC-HZPDHXFCSA-N 452.606 1.045 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCNC(=O)Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1705562970 NYLVOAIWLXEBEU-HXUWFJFHSA-N 499.568 1.971 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705567242 UZJMVBOPJNSQHK-ZIAGYGMSSA-N 482.550 1.395 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705567585 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C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1722359126 QBYYZPLAABYIQJ-WOJBJXKFSA-N 489.598 1.435 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722362948 XJFJVDCMXKDQFD-KRWDZBQOSA-N 474.587 1.882 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1cccnc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722366716 JZTMQLGGEDEVDL-FQEVSTJZSA-N 472.615 1.383 30 10 JDEE C#CCN(c1nnc(COCC)n1CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722370088 LQAHLGRGVFJEAX-QGZVFWFLSA-N 469.608 1.698 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCNC(=O)c2ccccc2F)CC1 1722449178 NWZLJJVRKWASQG-UHFFFAOYSA-N 489.555 1.799 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)cc1 1722702111 DOBLQSQOBWFMKQ-XLIONFOSSA-N 485.614 1.678 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@H](C)[C@@H]1C 1722725233 MLQXAEDPUURZSX-LSDHHAIUSA-N 450.590 1.856 30 10 JDEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722734830 KFSAYLYSZGDGLD-UHFFFAOYSA-N 486.642 1.854 30 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C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1749015582 HRLWOTOEEALJTK-OAQYLSRUSA-N 482.560 1.893 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1749044566 RSPXVIGGFSZPHJ-OAQYLSRUSA-N 456.664 1.722 30 10 JDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)N2CCN(c3ccccc3)CC2)CC1 1749285444 KFCFELGTFOERAB-UHFFFAOYSA-N 451.575 1.922 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(CC)nn(C)c2CC)CC1 1749303252 GNLYZVKLHJJOSL-FQEVSTJZSA-N 477.635 1.674 30 10 JDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1749408964 OVZYLLYVHUUSGM-FQEVSTJZSA-N 451.575 1.829 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(N(C)C(C)=O)CC2)cc1 1749683114 JIXMFHNVGSTLHJ-KRWDZBQOSA-N 490.630 1.949 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1749689472 GHUXIEFWGHRSCA-WMZOPIPTSA-N 459.572 1.460 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1749721727 SCKJWVZPCVZRCL-UHFFFAOYSA-N 489.642 1.900 30 10 JDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1749739493 CWHZFCRIJRKDTE-UHFFFAOYSA-N 461.588 1.686 30 10 JDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749765187 CUDMQOKSVFXFSP-YHEJKZAPSA-N 478.619 1.736 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccccn2)n1C[C@@]1(O)CCN(C)C1 1749808469 FBSCMEBZGGWXRJ-RUZDIDTESA-N 461.570 1.855 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(C(F)(F)F)n1 1751217835 HKDHTBINCSEZDY-MEDUHNTESA-N 461.445 1.792 30 10 JDEE C[C@H]1C[C@@H](C)CN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)C1 1752009334 DYQIODVWKHIMQN-FGTMMUONSA-N 451.641 1.996 30 10 JDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C[C@H](C(F)(F)F)O1 1752311454 BANPGNKPNREXLI-CZUORRHYSA-N 472.493 1.864 30 10 JDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC2(CCOCC2)O1 1752387015 AYYSGDOVKKBGHB-INIZCTEOSA-N 490.511 1.884 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1760186616 PKZDBWOEMWZGMP-IBGZPJMESA-N 476.002 1.675 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760188335 KAFUYTFRCDSMOH-MSOLQXFVSA-N 473.628 1.670 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760189803 LXNHLZTUCROWCR-GEQKSPFYSA-N 474.583 1.044 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)N1CCCCC1 1760219978 UUKIRFAPWVOWGW-NHCUHLMSSA-N 476.647 1.338 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2nncn2CC)CC1 1760252819 WYLJKSHILYLGNG-UHFFFAOYSA-N 467.965 1.276 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2ccccc2)CC1 1760265516 CXCCLEWENLPYFS-QZTJIDSGSA-N 472.615 1.658 30 10 JDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCC(C)C)C1 1760306184 DEKGQUIAYDROKB-HZPDHXFCSA-N 492.440 1.771 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCOC1 1760483685 YGOOVDZKJUCCKX-MGPUTAFESA-N 453.540 1.371 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1760526944 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C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1540867165 MWZIWDSBTLZSRO-UHFFFAOYSA-N 497.600 1.992 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(N2CCNC2=O)CC1 1540867304 RBJQIBMAXYVHOV-UHFFFAOYSA-N 483.573 1.649 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)OCC)CC1 1540868750 PWZRPFLQZWJLFU-UHFFFAOYSA-N 464.530 1.712 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(=O)COC)CC1 1540875227 DZNVIPJAWCWSIM-UHFFFAOYSA-N 479.006 1.821 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H](OC)C1 1540917178 PHLJYNZMTIPBHX-BBWFWOEESA-N 459.638 1.391 30 10 JDEE C#CCN(C(=O)CNS(=O)(=O)c1cccc(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1558370676 RNMRQQPEVXUEEU-UHFFFAOYSA-N 453.536 1.965 30 10 JDEE C=CCOC[C@H](NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br)C(=O)OC 1561512003 JZUFXQMPFIDFRI-LBPRGKRZSA-N 454.270 1.397 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1CCS(=O)(=O)CC1 1587663489 YNLYDEXRCBHEJK-OAQYLSRUSA-N 484.670 1.926 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588029558 IXRXPAQITTYBQU-JKSBSHDWSA-N 474.587 1.349 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1588045414 KHCILCKWUKWXNY-FQEVSTJZSA-N 489.623 1.658 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CC1(O)CCN(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1588046013 VSWCUCRLPXALJW-HXUWFJFHSA-N 472.615 1.202 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588069669 SHDCCKAYOYFFRY-AQNXPRMDSA-N 460.604 1.582 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CC1(O)CCS(=O)(=O)CC1 1588550029 GLBZEEDRYDTQMR-LJQANCHMSA-N 476.574 1.891 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCN(C(C)=O)CC1 1588612940 NESMXIQGQBRYAE-UHFFFAOYSA-N 463.546 1.265 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1588733477 UTXVAVZIZQIXKM-IBGZPJMESA-N 471.606 1.669 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)CC(F)(F)F)CC1 1588864899 LKWPJISHMDUCHJ-UHFFFAOYSA-N 461.492 1.978 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(Cl)nc2)CC1 1588891190 MXIKDYYRGGMMQT-HSZRJFAPSA-N 472.977 1.993 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1588954620 IYQSBCPYFLWZDG-IBGZPJMESA-N 483.642 1.858 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1589060641 VPIKNHMLSYUTNE-GOSISDBHSA-N 454.604 1.836 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(NC(=O)c3ccsc3)CC2)nnc1[C@]1(OCC)CCOC1 1595602760 QEQJDCATDHEXGV-QHCPKHFHSA-N 488.614 1.693 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1595760988 VWFJLJBMIQHCPE-MSOLQXFVSA-N 453.609 1.660 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1595812499 WCVGAFBFYHDTQG-IBGZPJMESA-N 450.590 1.094 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2CCOC[C@H]2C1 1595823718 RWKQCCXGMGZENL-HXUWFJFHSA-N 475.615 1.194 30 10 JDEE CC(C)(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CCO1 1597203327 ABGHVQADDUKHJB-HXUWFJFHSA-N 468.558 1.839 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@](O)(C(F)(F)F)C3)nnc12 1611144644 QSDCGDHQFUIHKI-SFHVURJKSA-N 453.446 1.848 30 10 JDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)Cc2ccccc2)C1 1620346594 DINSDSWFCXAZAB-FXAWDEMLSA-N 481.575 1.237 30 10 JDEE N#Cc1ccncc1N1CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 1666905537 BDWJNJZDFONXCM-UHFFFAOYSA-N 456.528 1.328 30 10 JDEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)CCCS(C)(=O)=O 1667304006 CGSUHDLNLMXVJM-HNNXBMFYSA-N 450.376 1.972 30 10 JDEE C#CCCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1689882503 BZYNOCIHHMSLNN-LJQANCHMSA-N 480.569 1.693 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1689977830 DXAZUHJKBHGBIU-DYESRHJHSA-N 477.612 1.110 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1689978018 JVQGQCCBWBDRHQ-UYAOXDASSA-N 492.646 1.082 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689983833 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C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)C2CCCCC2)CC1 1705645550 XIYQTTBNJIIVPQ-SBUREZEXSA-N 494.662 1.185 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCCN2CCC[C@H]2CO)CC1 1705648578 UVAZRBHEHXSVKY-FCHUYYIVSA-N 472.634 1.722 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC(=O)N2CCN(c3ccccc3)CC2)CC1 1705650311 PAZPMNZFGKEMPB-UHFFFAOYSA-N 463.586 1.155 30 10 JDEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1705655015 AVEOIKRXYHGXLO-UHFFFAOYSA-N 474.587 1.799 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1705725544 HKZAVXWLTFKDKF-MRXNPFEDSA-N 465.580 1.437 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1705819341 JVMUICOPSKCVKL-MRXNPFEDSA-N 459.638 1.397 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1705896612 SGOKMEDEFXJQMU-UHFFFAOYSA-N 499.515 1.999 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1705907627 SHFBKTOZVOAUTB-INIZCTEOSA-N 468.587 1.819 30 10 JDEE 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477.562 1.395 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1722431805 OCXLONFYMMPHDX-UHFFFAOYSA-N 459.554 1.956 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1722446789 BMWASFCINHYKCQ-UHFFFAOYSA-N 492.671 1.791 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCc2ccn(C)n2)CC1 1722450251 BBWSOMUUFBPWKM-UHFFFAOYSA-N 465.533 1.938 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C)CC1 1722483852 DHJXXYKAEMSBLG-HNNXBMFYSA-N 482.408 1.514 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1722536014 BGUBOGUPOCIPKF-RBUKOAKNSA-N 453.609 1.074 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)NC[C@H]2C1 1722690838 MTIIHJAAHIGTKV-MSOLQXFVSA-N 453.547 1.551 30 10 JDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1722692181 HESAODIQVGTKBY-MLHJIOFPSA-N 479.578 1.938 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CCSC2)C1 1722693639 VRANWOYJZBXQOP-NRFANRHFSA-N 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C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC(S(C)(=O)=O)CC1 1286817699 WPIYYCXSAHCYND-UHFFFAOYSA-N 452.602 1.868 30 10 JDEE CCN(CC)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1295353137 BQSNQHQDLBUZSL-UHFFFAOYSA-N 478.561 1.489 30 10 JDEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1300361369 FWPNMPCADCEYDB-IBGZPJMESA-N 499.616 1.343 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1300480119 XYUDSHAKTMLGSY-OAHLLOKOSA-N 467.954 1.884 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccnc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1300480213 ZSQRZQRXKOQCAP-GOSISDBHSA-N 461.588 1.671 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CC1CCN(C(=O)OC)CC1)[C@H]1CCS(=O)(=O)C1 1300488252 PTANLCALNDOTIQ-SFHVURJKSA-N 472.571 1.445 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 1300500783 DFOQTXHIPOLZDF-QGZVFWFLSA-N 463.510 1.354 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(NC(N)=O)cc1 1300527325 FRPSWLXFIHQWAU-UHFFFAOYSA-N 476.566 1.850 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1300719770 PMKTZTYFTXBMFH-IBGZPJMESA-N 490.559 1.000 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(C)CN(C)C2=O)CC1 1300725780 DJNMKRXCUGKICC-XMMPIXPASA-N 470.524 1.591 30 10 JDEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCOCCS(C)(=O)=O)CC1 1301120252 LQYPNIZTZKCANG-UHFFFAOYSA-N 486.598 1.656 30 10 JDEE C=CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1301164501 AFEQQUVEHWEAJH-VQTJNVASSA-N 493.655 1.622 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)C 1301349818 SWUPPXUOPXRKFQ-AZUAARDMSA-N 462.620 1.754 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccccc2CO)CC1 1301501272 UORCPDPQFMIFHA-LJQANCHMSA-N 473.599 1.359 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1301568137 OWELWHAJVLDMSV-LJQANCHMSA-N 495.552 1.971 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](F)C1 1301588582 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C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1507629002 ZGRKSNCRJWIMPL-AUSIDOKSSA-N 474.583 1.614 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1507634793 MXVNIQZUKRVAMK-OAQYLSRUSA-N 478.578 1.299 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc2ccccc12 1507711681 XXQOVCFORMLAQW-HXUWFJFHSA-N 473.555 1.492 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCOC2)CC1 1507734569 ZYYCHMDXLIHVCX-QGZVFWFLSA-N 451.531 1.318 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC)nc2OC)CC1 1507739245 OGBWOBDDAZUBDG-SFHVURJKSA-N 454.531 1.208 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=C)Br)CC1 1507739420 PVDVNHNZGKHMFW-OAHLLOKOSA-N 470.393 1.055 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1507955248 WYDRBTDMEAEYGU-KRWDZBQOSA-N 450.609 1.873 30 10 JDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1508058515 BRUCJNJUCBKTST-OAHLLOKOSA-N 451.515 1.457 30 10 JDEE 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C#CCN(c1nnc(Cc2ccncc2)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1588064213 CXZNBTKPLRJAAO-KRWDZBQOSA-N 470.521 1.385 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1588070274 XXFSIQVMQWOWIB-UXHICEINSA-N 459.620 1.251 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1595522834 LEDPEIXKPCJQBF-UHFFFAOYSA-N 457.554 1.377 30 10 JDEE N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)cc1 1611308200 AYLPSQTUQBUPBD-HXUWFJFHSA-N 452.536 1.672 30 10 JDEE CN(C)c1cccnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1617671780 HKNFYDJPBQSARF-GOSISDBHSA-N 451.556 1.949 30 10 JDEE Cn1c(=O)[nH]c(N2CCN([C@@H](C(=O)NCc3ccccc3)c3ccccc3)CC2)c(C#N)c1=O 1642715749 CIQGRQXMWSOFSY-OAQYLSRUSA-N 458.522 1.125 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)CC1 1644281587 HKTDWNZVSVKMTB-UHFFFAOYSA-N 459.425 1.256 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689983808 HXKGJZHWSMPQJW-OAQYLSRUSA-N 487.626 1.693 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(C)(C)O)cc1 1690047717 XMOAGEZVXRVWFA-NRFANRHFSA-N 485.610 1.350 30 10 JDEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1690172903 QYXHXWNJEZJCSS-IBGZPJMESA-N 467.661 1.933 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCC[C@H](C)C1 1690206359 OPOODTKLBZPPDZ-IHFIDZABSA-N 478.663 1.724 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(C(C)C)C1 1690206547 USAMVAIZXPUPJU-MIZPHKNDSA-N 478.663 1.724 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCS(C)(=O)=O 1690245376 HKHDDNINHQMCOE-JXFKEZNVSA-N 486.598 1.654 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1690661308 ZEQWIQROIUBFEY-KRWDZBQOSA-N 493.609 1.042 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(CC)CCS(C)(=O)=O 1690661913 LBFCDZRIPMAQFQ-UHFFFAOYSA-N 470.393 1.881 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C/C(C)=C/c1ccccc1 1690670728 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C#CCN(c1nnc(-c2ccccn2)n1CCCC(=O)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1740621480 MALNXWNNJYNEEJ-SFHVURJKSA-N 458.588 1.615 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)c(OC)c(OC)c1 1740657064 ONXAEULMKJAHRF-SFHVURJKSA-N 472.567 1.717 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(=O)NC(C)C)CC1 1740703872 CLLBSGAITVCIQS-UHFFFAOYSA-N 474.569 1.621 30 10 JDEE C=CC[C@H](Cn1c(CC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)c1ccccc1 1740856197 RJLLHYZLKNZBDS-LJQANCHMSA-N 464.574 1.667 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1740953360 CTSBLSGGBVFZRF-UPCLLVRISA-N 487.557 1.657 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cccc(Br)c2C1 1740960102 LCYDDPNKMWXPPA-OAHLLOKOSA-N 494.415 1.808 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCS(C)(=O)=O)cc1 1740968043 YOIOMBRLHBTAGS-QGZVFWFLSA-N 468.601 1.274 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CNC(=O)C2)C1 1740969036 SHBDOAYPFDGGCM-ZHRRBRCNSA-N 474.587 1.218 30 10 JDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1741984882 GYUMXSGPQGZXDS-KKSFZXQISA-N 472.575 1.337 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccn2)CCC1 1748673058 YPQBJSWAVNWKHB-ZWKOTPCHSA-N 458.588 1.586 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@@H]2CCS(=O)(=O)C2)c1 1748691452 FRILLBRBUIIJLU-SFHVURJKSA-N 466.567 1.775 30 10 JDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1748710699 YHGDIQOIJMVCTN-FQEVSTJZSA-N 455.607 1.557 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1748811627 JNOOWUPFRGITPP-SFHVURJKSA-N 452.540 1.809 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748817763 PVWZYFPRXDVZLU-FCEUIQTBSA-N 471.627 1.929 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)C(C)(C)C 1748841968 CKOGASVXNAYIFF-UHFFFAOYSA-N 480.594 1.961 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCSCC1 1748887037 QLIAAMSZKYAVPJ-UHFFFAOYSA-N 461.595 1.704 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1748902682 IMMBGULQNDOGNA-HSZRJFAPSA-N 456.568 1.486 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCc1nnc2n1CCCCC2 1748947980 CCRIXQZTLQLKFP-UHFFFAOYSA-N 463.546 1.572 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1c(C)cccc1C 1748962678 NYDFMOIRPFTIEJ-GOSISDBHSA-N 459.572 1.522 30 10 JDEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749447321 BZYMEFGJYVDTAV-FQEVSTJZSA-N 466.586 1.982 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2ccccc2OC)C1 1749670363 SCRMCGFYOGIOQW-DLBZAZTESA-N 459.572 1.485 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1749677875 NHOFBULVNOGVEX-QGZVFWFLSA-N 457.604 1.647 30 10 JDEE C=CCNC(=O)Cn1c(N(C)CC2COC(C)(C)OC2)nnc1[C@]1(OC(C)C)CCOC1 1749682336 RZRYLZNWLLIVFE-QFIPXVFZSA-N 451.568 1.456 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCC(C)(C)C2)C1 1749712257 HMEDAMALHGLSQW-UXHICEINSA-N 496.678 1.514 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749726946 KLXGTPYTNJQNJC-QGZVFWFLSA-N 475.596 1.717 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1749734121 FFIJFKFUAWDGSJ-ROUUACIJSA-N 485.676 1.092 30 10 JDEE CC(=O)N1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1749846524 PNNVSKRFSQRYPZ-YFUCQSNDSA-N 497.531 1.752 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCO[C@@H]2C)c1 1760126584 CQDCQUOMVBUIPP-CRICUBBOSA-N 489.536 1.522 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1760147273 MDSLTAIZVHESPB-NRFANRHFSA-N 486.642 1.910 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1760185476 XQWVONGKFLEGHD-VWKPWSFCSA-N 464.975 1.765 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@](C)(O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1760188235 NWUBAODYHUXZFE-YVHKJVDXSA-N 479.002 1.970 30 10 JDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1760244506 XLNONSQOOLOMQY-GHTZIAJQSA-N 454.593 1.230 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC(=O)NCC(F)(F)F)CC1 1760268294 HLLUVBWZPSWUFY-UHFFFAOYSA-N 463.464 1.293 30 10 JDEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 1760451425 IWZOMYDCWQKDBC-GAJHUEQPSA-N 478.594 1.881 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCn2nc(C)nc2C1)C(C)C 1760490203 RPKNICVLODATOP-UXHICEINSA-N 488.662 1.799 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1760555926 QSEBLUUYZFCVCV-IAGOWNOFSA-N 466.633 1.723 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1nc(C(F)(F)F)cs1 1761501425 HKQIFMKCFWRGNS-MNOVXSKESA-N 479.510 1.335 30 10 JDEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)CC1 1766694736 FQUKNSDPSADAMJ-UHFFFAOYSA-N 483.602 1.736 30 10 JDEE COc1ccc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)c(OC)c1 1858334331 FUQZELKPQUHXNF-HNNXBMFYSA-N 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30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@@H]1C(=O)N1CC[C@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2194129111 SJYKAOQQKBIVBL-LMVQQZOZSA-N 466.384 1.802 30 10 JDEE CC(C)(C)OC(=O)NC1C[C@@H]2C(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)[C@H]2C1 2256619515 ZTHIJFCQTZAMKH-ZFQMDJOTSA-N 450.370 1.747 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2258956702 GRYKWIPNRDEXLR-HNNXBMFYSA-N 456.370 1.162 30 10 JDEE Cn1nc(C(=O)N2C[C@H]3[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267192441 QUUQQXFZGQDCAR-IMRBUKKESA-N 466.775 1.968 30 10 JDEE CC(C)(C)OC(=O)N1CCC(O)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2267197551 ZQJZQJRXSHFOLQ-UHFFFAOYSA-N 450.345 1.201 30 10 JDEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2271716724 LRDINWWNPYAONA-UHFFFAOYSA-N 488.437 1.650 30 10 JDEE CCn1cc(C(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282035544 WVQOPRWQFMHEDC-UHFFFAOYSA-N 464.372 1.304 30 10 JDEE 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484.623 1.374 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1286389311 HXQBGELHHVZAGC-SFHVURJKSA-N 452.540 1.727 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1C[C@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286391655 FIABKDXZJXKCGQ-LEWJYISDSA-N 463.648 1.919 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(S(N)(=O)=O)cc1 1286403117 HWERKYBMNYCNOF-UHFFFAOYSA-N 454.943 1.956 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccc(F)c2)CC1 1286486587 OVXLJZYMZGDKSY-INIZCTEOSA-N 476.578 1.236 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCCOC)cc2)CC1 1286489981 JAFPUJCRVYLLTL-UHFFFAOYSA-N 477.569 1.718 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)C)CC1 1286546779 LPHVGBIGSDYAQJ-FHWLQOOXSA-N 454.641 1.790 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1286568284 SGZITQPNWLYFIK-ATIWLJMLSA-N 476.603 1.098 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1286788671 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473.599 1.301 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1COCC)[C@@H]1CCS(=O)(=O)C1 1358961575 BLICUZSAVKRFQD-UXHICEINSA-N 471.583 1.441 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1CCN1CCN(C)C(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1358962481 QMQWDMPSSYSVAS-HXUWFJFHSA-N 462.664 1.588 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1358963083 BKFPHPQFUUMTNM-HMFYCAOWSA-N 462.572 1.526 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)C(C)C 1358987265 YWUCJSQXBBWTOL-UHFFFAOYSA-N 469.615 1.782 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ccc(C(N)=O)nc2)CC1 1359030980 LZFAHABGRIBXBJ-UHFFFAOYSA-N 491.552 1.268 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1359084417 HETQTKQWWLEWHG-HUUCEWRRSA-N 474.425 1.974 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359293559 TYPORWZIIPGKIS-AZUAARDMSA-N 499.591 1.602 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCn1cccn1 1359300376 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C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccsc1)N(C)C 1705628663 MMQHVRKRGYRXEU-ZWKOTPCHSA-N 451.618 1.631 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(C(=O)NC)c2)CC1 1705632576 VBFLHJDITFXYJT-UHFFFAOYSA-N 451.575 1.360 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCN2CCCCCC2)CC1 1705634358 SIYKQIBFWXLOMH-UHFFFAOYSA-N 499.685 1.827 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2ccc(C)cc2)CC1 1705647731 JAUZMYBLTKYMRM-PZJWPPBQSA-N 499.637 1.922 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccs2)CC1 1705648498 TXSWNGGHMCEYLA-KRWDZBQOSA-N 461.613 1.450 30 10 JDEE C=C(Br)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCS(=O)CC1 1705683938 FQNCYPKMJQYHEB-UHFFFAOYSA-N 488.433 1.673 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1705725535 GWQOBXXFIDDJPU-CVEARBPZSA-N 470.596 1.291 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705933389 FPYNKYMSIQUPCN-KRWDZBQOSA-N 464.979 1.755 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2csc(C)n2)CC1 1705935773 CRAHVVOYIMSSSF-QGZVFWFLSA-N 466.633 1.470 30 10 JDEE C[C@H](CN1CCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1706814699 CUFDOBLUOHGCRA-HXUWFJFHSA-N 464.618 1.759 30 10 JDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1)OC 1712152429 CFGIHHUTOHQRPN-LEWJYISDSA-N 451.531 1.889 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1722316934 OOVBLLBRAVGLPM-VQTJNVASSA-N 490.674 1.553 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722358975 OIQIUQWHBCVSSJ-UFYCRDLUSA-N 491.658 1.982 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1722362959 XOECFLXFJMERNB-WBVHZDCISA-N 485.536 1.190 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1722364444 ZWISXSLYAQYTSJ-INIZCTEOSA-N 454.499 1.862 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722366081 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CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1727921017 GMMBRKOBQONQIA-MBSDFSHPSA-N 453.547 1.836 30 10 JDEE COCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1730433461 GUKDMDYMVASXLD-UHFFFAOYSA-N 481.601 1.470 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2Cc2nncn2CC)c1 1740561786 ISNZSPOGDOYDDA-DEOSSOPVSA-N 478.557 1.646 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1740575978 XAJCHEPRSAFJBN-WDSOQIARSA-N 451.593 1.418 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1740624463 JBPRWQFBANJCNT-QGZVFWFLSA-N 472.596 1.735 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](CC(C)C)NC(=O)OCC)[C@H]1CCS(=O)(=O)C1 1740626125 JQGFGRLNJIBUFM-QRVBRYPASA-N 481.619 1.570 30 10 JDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(-n2cncn2)nc1 1740642186 SDFKNTOAGKOWBF-UHFFFAOYSA-N 457.523 1.366 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCCNC(C)=O)CC1 1740708702 ZMSCAKMFHTVQPL-UHFFFAOYSA-N 461.570 1.842 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(OC)C2CC2)CC1 1740839944 QPNSDBFFZCGNHW-WIYYLYMNSA-N 453.609 1.829 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1740900633 UWVZNARDEGIUFU-WIYYLYMNSA-N 490.630 1.768 30 10 JDEE C=CCn1c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740949762 RIZPAOQKVGKOHW-HYBUGGRVSA-N 454.575 1.853 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1740957852 CBPWPYBFKJEISB-PMACEKPBSA-N 473.622 1.345 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCN(C)C(C)(C)C2)C1 1740985055 ATLYCKOSGINKQK-HBMCJLEFSA-N 462.639 1.809 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1740987423 GULPSVATWSYTJL-WOJBJXKFSA-N 489.598 1.811 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1740991830 GCZIFNZOATUMBA-GOSISDBHSA-N 475.619 1.623 30 10 JDEE CCc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)no1 1744469513 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C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2)CC1 1749230563 ZHFOBSJTSCTOBL-NRFANRHFSA-N 490.630 1.530 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN(C)CC(F)(F)F)CC1 1749343031 VQKIMUCSQYWROT-QGZVFWFLSA-N 494.584 1.898 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1749630276 QAGXMLKMGRLJQN-LJQANCHMSA-N 480.635 1.272 30 10 JDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(NS(=O)(=O)CC)CC1 1749667396 ZUIFGGOTEAJWDP-UHFFFAOYSA-N 471.587 1.637 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)S[C@H](C)C1 1749730815 RNVCWIFUEIPGKM-ZIAGYGMSSA-N 453.590 1.937 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@H](C)C1 1749734073 DUQUBJZOCXJGJL-KSZLIROESA-N 499.634 1.801 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(S(C)(=O)=O)CC1 1749736836 QEUMPYUVVATGAH-UHFFFAOYSA-N 488.582 1.761 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1749738370 KUDHJWIWJCCIHD-HZPDHXFCSA-N 492.627 1.118 30 10 JDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCO[C@H](C)C1 1752397730 HZZQWAXSGJOMLB-RBUKOAKNSA-N 451.575 1.985 30 10 JDEE C[C@@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)CCCO1 1752401631 BURJEVABQFRRBT-WOJBJXKFSA-N 481.601 1.897 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCN(CCC)C2)c1 1760128390 GXCGGDGWBUHLHU-NHCUHLMSSA-N 498.653 1.968 30 10 JDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(CS(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1760188053 GYVIAMNXIYDESK-LJQANCHMSA-N 462.597 1.375 30 10 JDEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1760190001 NOMYOHSBFACOEE-DVECYGJZSA-N 485.610 1.764 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(NC(=O)OC(C)(C)C)COC1 1760232546 HUBZCBRVHODPNG-UHFFFAOYSA-N 493.568 1.945 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCn2cc(Br)cn2)CC1 1760257512 YFXIDFJSSNIJFC-OAQYLSRUSA-N 492.422 1.733 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@]2(O)CCOC2)CC1 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C=CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1 1871622428 OUEAEGOMLWOFPA-UHFFFAOYSA-N 460.546 1.440 30 10 JDEE CC(C)N1C(=O)CS[C@H](C(=O)NC[C@@H](O)Cn2ccccc2=O)[C@@H]1c1ccc(C#N)cc1 1889619594 WMNHMNIIYYMXCM-COPCDDAFSA-N 454.552 1.291 30 10 JDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 1891968349 RXXQXHHRAHFCML-GOSISDBHSA-N 473.530 1.958 30 10 JDEE COC(=O)[C@H](CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2124541942 YEZIFUOCIIKUNM-ZDUSSCGKSA-N 450.301 1.171 30 10 JDEE CC1(C)OB(c2cnc(C(=O)N[C@H]3C[C@@H](NC(=O)OCc4ccccc4)C3)nc2)OC1(C)C 2247834499 WPHGEBVRGLOZBF-HDICACEKSA-N 452.320 1.963 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)[C@H](S(C)(=O)=O)C1 2255665190 CFQRMOLUMXBCMO-CBBWQLFWSA-N 458.386 1.617 30 10 JDEE CC1(C)OB(c2nccnc2C(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)OC1(C)C 2256068586 CIUJLDRHAKWPHU-FGTMMUONSA-N 464.331 1.915 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 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472.615 1.765 30 10 JDEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1593769743 QNZMJWXEQAHOIU-UHFFFAOYSA-N 453.540 1.671 30 10 JDEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)CC1 1594812341 FLRKDVWXMFWSJO-IBGZPJMESA-N 478.594 1.848 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1595303805 ZVANMYYCJLWYNC-XLIONFOSSA-N 477.587 1.711 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1595576918 CBEXIUCQSVKYMT-QHCPKHFHSA-N 473.599 1.791 30 10 JDEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1596950871 BMTZTSJZHCDBLW-UHFFFAOYSA-N 492.628 1.723 30 10 JDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1598122913 FOIGXISUAVBJJM-UHFFFAOYSA-N 473.603 1.449 30 10 JDEE C#C[C@@H]1CCCCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1618708405 UHPRRCGTULWTMT-GOSISDBHSA-N 451.976 1.967 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2O)ccc1F 1635006214 LHGSQNSZYGXQOY-QWHCGFSZSA-N 450.492 1.784 30 10 JDEE C#CC1(F)CN(C(=O)[C@@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)[C@@H](C)CC)C1 1644615689 HIIAVPFTCLCXSF-GUYCJALGSA-N 457.955 1.919 30 10 JDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)CC1 1664525088 GZYQJHSMESTDIC-UHFFFAOYSA-N 452.733 1.297 30 10 JDEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1689881255 KZUTVJFZGDZAHV-UHFFFAOYSA-N 483.964 1.746 30 10 JDEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1689886983 LUIQUEGIVBBHMH-SFHVURJKSA-N 497.625 1.949 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN(CC)CCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689989283 CTQZYLCKMZXWGE-IAGOWNOFSA-N 477.553 1.683 30 10 JDEE C#CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1689989510 GFNKRZUUFHPIFA-BZSNNMDCSA-N 497.618 1.248 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(Cl)c1 1690019420 IGBAUDQLVRFWJV-LJQANCHMSA-N 477.974 1.416 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1690030225 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C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749033015 XTWMCNKJYYMWCN-MRXNPFEDSA-N 486.623 1.665 30 10 JDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncc(F)cn2)CC1 1749097665 GXCHUINTRQCUJQ-CYBMUJFWSA-N 451.304 1.394 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCc2ccccc21 1749158884 MLNXPAPOXQDHQZ-REWPJTCUSA-N 475.615 1.847 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749256012 QVZXGBDZLFNZEH-UHFFFAOYSA-N 495.005 1.274 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)C1CC1 1749532696 WAKLOCHOYJRDDN-HXUWFJFHSA-N 468.583 1.771 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1749677073 MMSIFURGPOAKEP-NFBKMPQASA-N 495.628 1.191 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCC(S(C)(=O)=O)CC1 1749680733 PHOFUOYIBVBLCE-UHFFFAOYSA-N 461.588 1.735 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCCOC 1760117622 REPCRFULWVALKL-YLJYHZDGSA-N 477.587 1.142 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1760184322 VOENXGFMXQNPFP-OFNKIYASSA-N 484.651 1.881 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760186588 DTYRKLOBWYRWHX-SJORKVTESA-N 461.592 1.194 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1760187900 YRXXDDMRUWIHBT-KRWDZBQOSA-N 460.560 1.843 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1760191149 BNZAETXJEPBIDL-TZIWHRDSSA-N 485.566 1.161 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1760191304 FGFLITXVHGXQAH-HRAATJIYSA-N 479.628 1.303 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCS(=O)(=O)NC)CC1 1760266907 AWDYWXPTDTWFCS-UHFFFAOYSA-N 458.588 1.023 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCS(=O)(=O)c2ccccc2)CC1 1760269914 GTYNVFUOTZYCDV-UHFFFAOYSA-N 457.600 1.916 30 10 JDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760301566 DYMJIJCBPCECFP-UONOGXRCSA-N 471.356 1.383 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1760345999 CCXDCXHMFJNIBI-QAPCUYQASA-N 481.541 1.717 30 10 JDEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760351227 CEPFRHAXBXETGF-QGZVFWFLSA-N 489.374 1.447 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1760412317 JRAMDHHCDGQTOB-WOJBJXKFSA-N 464.680 1.999 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCSC2(CCOCC2)C1 1760548721 NUNOJXYOQXOFAJ-UHFFFAOYSA-N 485.676 1.900 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1760549174 XWHYJNXUKATOHC-JTSKRJEESA-N 483.635 1.572 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C1 1760549392 DDLHXUVZKBSJBI-QZTJIDSGSA-N 486.539 1.835 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C2CC2)C(=O)C1 1760553269 QIWIRZUOTOMFSC-UHFFFAOYSA-N 475.571 1.374 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1760557474 MOMLSHIEDZMTKL-IEBWSBKVSA-N 459.572 1.481 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1760558609 UWKHVWFLWJXHFM-GUDVDZBRSA-N 453.609 1.277 30 10 JDEE CCCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCS(=O)(=O)NC)c2ccccc2c1=O 1766164542 AQDRMRZGHWZKMP-HNNXBMFYSA-N 472.575 1.353 30 10 JDEE CNC(=O)c1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)c1 1769182841 BKAMJRCCAYTJMI-QVKFZJNVSA-N 459.576 1.426 30 10 JDEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)[C@@H]3C[C@H](O)CN3C(=O)c3ccccc3)sc2c1 1866203345 FVJKUMBSJCCQDM-YJBOKZPZSA-N 486.575 1.975 30 10 JDEE COc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(C#N)cc3)c2=O)c([N+](=O)[O-])c1 1870101245 XBLSWNXJFVTTLB-UHFFFAOYSA-N 460.410 1.463 30 10 JDEE C=CCn1cc(OCCCN2C(=O)c3ccccc3C2=O)c(=O)cc1CN1CCN(C)CC1 1870375954 UBHNWEOYDSVMLF-UHFFFAOYSA-N 450.539 1.847 30 10 JDEE C=CCn1c(C(=O)N(CCOC)CCOC)cc2c(NCCN3C(=O)CSC3=O)ncnc21 1875232750 XAWNPYPTYNENJW-UHFFFAOYSA-N 476.559 1.460 30 10 JDEE N#Cc1cccc(C(=O)NCc2cn(C[C@H]3CCN(C(=O)c4cc(C(F)(F)F)n[nH]4)C3)nn2)c1 2087920764 YGFKELZEQSOUIY-AWEZNQCLSA-N 472.431 1.984 30 10 JDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 2255802643 BSYQYGZRMIXZTH-UHFFFAOYSA-N 451.354 1.252 30 10 JDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255837563 RGTUGCWWIKHLTR-KBPBESRZSA-N 453.370 1.806 30 10 JDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H](CO)C1 2267712228 CTKWFVABKJXXDX-OAHLLOKOSA-N 488.437 1.650 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2268710207 HIRVKVOREPBIBF-HNNXBMFYSA-N 451.304 1.639 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CCCC(=O)O)Cc1ccccc1 2269031650 NHDQBYMYMFNTAH-UHFFFAOYSA-N 463.365 1.775 30 10 JDEE CC(C)(C)OC(=O)NCC12CC(NC(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)(CO1)C2 2281800337 HQKKTFVRGYEZGY-UHFFFAOYSA-N 459.352 1.937 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2282503548 BSHRMVOCVCIGGX-JKSUJKDBSA-N 486.371 1.695 30 10 JDEE Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c1B1OC(C)(C)C(C)(C)O1 2282556309 GEWAZGXGNWRKLS-GDBMZVCRSA-N 464.372 1.067 30 10 JDEE Cn1cc(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282587442 MKXWDEPWVLPMME-CWRNSKLLSA-N 464.372 1.113 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCO)CCCNC(=O)OC(C)(C)C)n1 2282595369 SSGNDPVDFPJMBL-UHFFFAOYSA-N 466.388 1.552 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@H]12 2282669181 QABZPKPRFOIPTK-OIISXLGYSA-N 459.352 1.745 30 10 JDEE C[C@@H](CCNC(=O)OC(C)(C)C)CCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2284005465 VZGHWLDXEPURKB-AWEZNQCLSA-N 487.432 1.334 30 10 JDEE COc1cc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)ccc1B1OC(C)(C)C(C)(C)O1 2289461646 WQZSPFQFHHFDLD-RDTXWAMCSA-N 464.368 1.885 30 10 JDEE COC(=O)c1ccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 2327842470 BXVUGCXSFZWFSQ-HNNXBMFYSA-N 458.544 1.639 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2359268620 ZAUHXIBCSNIUHO-VNQPRFMTSA-N 462.356 1.083 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1C[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2359274278 OJTOPLXBFHCOJX-VNQPRFMTSA-N 482.412 1.396 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2CNC(=O)OC(C)(C)C 2359280998 IKTCMJJTSIHVOU-ZNMIVQPWSA-N 461.372 1.632 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCO[C@@H](CCNC(=O)OC(C)(C)C)C1 2362342694 WAGXSXOQALGPSE-HNNXBMFYSA-N 464.372 1.475 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](C)SCc2nc(=O)c3c(C)c(C)sc3[nH]2)CC1 32464389 ZKWFYFXADPYJPG-HNNXBMFYSA-N 463.629 1.670 30 10 JDEE C=CCN1C(=O)N[C@@H](c2ccc(C)cc2C)C2=C1CN(CC(=O)N1CCN(C(C)=O)CC1)C2=O 35971873 HLDDTEPSGYHRTE-QHCPKHFHSA-N 465.554 1.343 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(S(=O)(=O)NC)cc3s2)cc1 47157324 XRZMIZGHNFYIGI-UHFFFAOYSA-N 466.566 1.921 30 10 JDEE Nn1c(N/N=C/c2ccccc2[N+](=O)[O-])nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 59884762 DXYIBYZZILDEMW-DJKKODMXSA-N 457.432 1.985 30 10 JDEE COc1cccc(NC(=S)NN=C2C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c1 263626404 CXSFMZUTRXOFHN-UHFFFAOYSA-N 489.579 1.383 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1-c1ccccc1C#N 515663931 SNAAPEWOWUTQJS-UHFFFAOYSA-N 490.928 1.958 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2S(=O)(=O)N(C)c2ccccc2)CC1 523952197 UPFQAIKOZBUVNY-UHFFFAOYSA-N 456.568 1.572 30 10 JDEE Cc1cc(C)cc(C(=O)C(C#N)=c2sc(=Cc3ccccc3)c(=O)n2CCNS(C)(=O)=O)c1 589160218 BVNSHAGECLSYDF-UHFFFAOYSA-N 481.599 1.462 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N(c3ccccc3)[C@@H]3C=CS(=O)(=O)C3)cc2C1=O 757700966 HGKSVUDMZNXHTR-GOSISDBHSA-N 480.498 1.969 30 10 JDEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1286319681 QXSVTTIHVMRXFX-UHFFFAOYSA-N 478.557 1.224 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1286388289 NAQSKAKHAPPGTK-SFHVURJKSA-N 489.598 1.456 30 10 JDEE C#CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1286390720 BLYSLNYPOGMAHI-MSOLQXFVSA-N 479.603 1.623 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1CCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1286394172 NRNIMJJBSJUCGD-GOSISDBHSA-N 477.612 1.062 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCNS(=O)(=O)c1ccc(C)s1 1286416208 XOZOIBSVGXEHLA-UHFFFAOYSA-N 474.612 1.325 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286429897 WSYMSSMWUNTQGA-YADHBBJMSA-N 466.611 1.931 30 10 JDEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286510436 SEMKSSRHRQQHMO-INIZCTEOSA-N 474.974 1.024 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1286612955 ZUYXSJUNDUQMGA-OAQYLSRUSA-N 460.623 1.899 30 10 JDEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1286769845 WMVKGUUNNKHLNM-UHFFFAOYSA-N 474.472 1.199 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](COCC)C1 1286787181 QJUFKNGLXZGWBV-MRXNPFEDSA-N 461.592 1.403 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](COC)C1 1286789972 AVNZRHIETPFXCF-MSOLQXFVSA-N 478.594 1.752 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCN(C(=O)OC)CC2)C1 1286800265 IWLQJPPHZALVQN-RDJZCZTQSA-N 470.596 1.148 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nnc(C(C)(C)C)s2)C1 1286800742 PXPLMDIYZZUZPY-ZIAGYGMSSA-N 469.637 1.867 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(N2CCOCC2)CC1 1300283377 MGBINZYFVZVRJZ-GOSISDBHSA-N 472.615 1.518 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 1300479087 ICUMBLDMVDALJF-IBGZPJMESA-N 494.577 1.999 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1300484575 UEOIXFQKZIUSEA-ZTCOLXNVSA-N 488.610 1.465 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1300493428 TXWRHEGAFMSNIS-SFHVURJKSA-N 454.560 1.203 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)CN1CCOCC1 1300537220 BBWGGEUTJHGLFE-SFTDATJTSA-N 486.617 1.628 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H](C)OC)CC1 1300719653 KWOZRPDTTKFPTL-INIZCTEOSA-N 473.603 1.239 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1301137228 OAFXZAIJSXUTQO-MRXNPFEDSA-N 490.634 1.311 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)C1 1301258630 XAEWCPJSWUOZOV-FXAWDEMLSA-N 457.597 1.209 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC(=O)N1CCOCC1 1301490527 UZHRFTYWAAVKBV-UHFFFAOYSA-N 450.902 1.335 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(O)cc2)C1 1301558041 SPIJHVXWDNXPKT-WOJBJXKFSA-N 477.587 1.341 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC(C)CC2)CC1 1301588999 NGFRLIRZMCZEMX-GPJFCIFZSA-N 499.703 1.482 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CCS(=O)(=O)CC1 1358876379 IIBFWCIBKRFZEL-MRXNPFEDSA-N 479.628 1.478 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1358911737 BVWDYBCEYZDDBN-KRWDZBQOSA-N 474.587 1.679 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1358957956 DOTKIERBQLBXQD-INIZCTEOSA-N 458.525 1.985 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358960090 WVQLDUGWHHQPKQ-FQEVSTJZSA-N 487.626 1.693 30 10 JDEE C#CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1358964187 VDPZSSMDRPKXQM-SFHVURJKSA-N 495.646 1.790 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358965591 XNJFXXHDLUVMPZ-YLJYHZDGSA-N 492.671 1.229 30 10 JDEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359085447 OGPFSWOFHJTOSZ-UHFFFAOYSA-N 474.363 1.100 30 10 JDEE C=C(Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NCCOC)CC1)c1ccccc1 1359139228 PDYDEAGSFUKSJT-OAQYLSRUSA-N 454.575 1.380 30 10 JDEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1359183747 SPHOKOCWFHZLCI-UHFFFAOYSA-N 466.590 1.928 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1359265322 CXJIETNMUVVHGB-VAMGGRTRSA-N 491.662 1.093 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1359305619 INPYTENGERKBCQ-ZHALLVOQSA-N 459.595 1.539 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1359334077 SBEZIGJDAWGZQR-QFIPXVFZSA-N 459.572 1.809 30 10 JDEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1359555020 FHWVIFXOKJRHIV-FUHWJXTLSA-N 494.618 1.556 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)NN2C(=O)N[C@](C)(c3cccc(OC)c3)C2=O)c1 1463799569 GMGBEYPSZWVNQE-OAQYLSRUSA-N 458.496 1.272 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 1507623489 XZCWHUBFXNVDPO-QGZVFWFLSA-N 463.510 1.467 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1507629694 OPIHPFDWVMGECM-CQSZACIVSA-N 456.446 1.905 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CC(C)(C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507635422 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30 10 JDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1690733985 SGIASKONNSVJTC-PKOBYXMFSA-N 463.652 1.324 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1690786930 PXKPXYWBSSBENW-BSBNDGSWSA-N 452.519 1.104 30 10 JDEE CCN1CCN(C[C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)CC1 1695894368 BAPSUJHWQVTZOV-FHWLQOOXSA-N 451.641 1.050 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(-c2ccccc2)no1 1705552177 WFQFBGDVGMZPPT-IBGZPJMESA-N 456.528 1.384 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1705562448 CHRHDCKSSKZPSD-LJQANCHMSA-N 454.556 1.557 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1705564350 NBVQGUIEHTZIRW-GOSISDBHSA-N 451.556 1.476 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1705568426 NGPNIJMGUMQJSX-FPOVZHCZSA-N 475.590 1.963 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1705571314 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479.404 1.141 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(O)CCO[C@H]2C)CC1 1740704025 IOENIGAAPHGGSC-GKVSMKOHSA-N 483.569 1.468 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@H](COC)OC)CC1 1740706516 VCKYWQYEENZGAM-KRWDZBQOSA-N 479.541 1.221 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1740738087 CXCBPOMZYUUNTA-SDDRHHMPSA-N 472.431 1.055 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1740951947 QQCXGPPCPFWIIG-GOSISDBHSA-N 469.594 1.047 30 10 JDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCS(C)(=O)=O 1740999542 BGVJQBFYVKKMEX-UHFFFAOYSA-N 462.601 1.592 30 10 JDEE C#CCCCCn1c(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@]1(OCC)CCOC1 1748727914 ZCGXIRCVVXYLHN-XTJBDQBJSA-N 472.634 1.723 30 10 JDEE COc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cc1F 1748736484 DIOCXWKKCGGZPC-ZFWWWQNUSA-N 452.512 1.007 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 1748801482 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C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CC(=O)N(C)[C@H](C)C1 1749739855 LFHAKAJNLPKAEQ-MRXNPFEDSA-N 479.628 1.847 30 10 JDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1760172510 RXYZXJIDBJBLJV-JLUOLNIDSA-N 483.573 1.988 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCSc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1760186568 DLDMCJWJWNWIBD-PKOBYXMFSA-N 473.624 1.957 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1760192891 PHDSTMTVXOZNCJ-YQVWRLOYSA-N 465.620 1.350 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1760217589 HNGAAAOYXVGRHU-HSZRJFAPSA-N 460.582 1.949 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2CC2CCN(C(C)=O)CC2)n1 1760252444 NSBZZFLBFXDQPI-QFIPXVFZSA-N 483.617 1.913 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1760268180 FCJYCYCDOXACMJ-UHFFFAOYSA-N 484.605 1.901 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1760270238 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CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)NCc3ncc(B4OC(C)(C)C(C)(C)O4)s3)[C@@H]21 2268721529 MITRHKBYCBFNHO-HRCADAONSA-N 465.381 1.693 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@@]12CCOC2 2281990400 MOLJIJQGBIEFHU-RCDICMHDSA-N 462.356 1.607 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)n1 2282034283 FYBKEWKLAGSIAZ-UHFFFAOYSA-N 454.380 1.476 30 10 JDEE C[C@H](NC(=O)OC(C)(C)C)c1n[nH]c(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)n1 2282052026 XZYYXJNNINWQPC-NSHDSACASA-N 461.332 1.675 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC12CCC2 2282172852 BMKKWTWXBSTHLU-CQSZACIVSA-N 461.372 1.634 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2282329729 QNKXZNYINRKZBK-HUUCEWRRSA-N 484.428 1.691 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C2(CC2)C1 2282334828 HFHDINVXHNGWRP-CQSZACIVSA-N 482.412 1.397 30 10 JDEE 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CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCCN2CCCS2(=O)=O)cc1 726075331 KFOFGEOQOASQMA-FCDQGJHFSA-N 485.632 1.827 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)c1 1187707987 PFEMOUXXGPZIPE-UHFFFAOYSA-N 450.605 1.507 30 10 JDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1)c1ccc(F)cc1 1230478360 HJNUKBGPVVAVJP-LJQANCHMSA-N 456.499 1.711 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCN2CCN(C(C)=O)CC2)c1 1286308886 FGYKCJIRHKVNML-UHFFFAOYSA-N 486.580 1.560 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC2(COC)CCOCC2)c1 1286309785 UZLANWOULKYFCB-UHFFFAOYSA-N 482.585 1.916 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCN2CCCS2(=O)=O)c1 1286311270 GFYPKDPESSKRBL-UHFFFAOYSA-N 456.572 1.322 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286381272 FVWHSJBXMNWPPI-ATZDWAIDSA-N 459.528 1.905 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1286385196 VSQMOYNVGSWUOX-WMZHIEFXSA-N 474.583 1.614 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1286395072 LDVYZNBVOHLVFO-GOSISDBHSA-N 489.529 1.806 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCS(C)(=O)=O 1286413855 OSERVONITGXTFO-UHFFFAOYSA-N 463.604 1.900 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(CS(C)(=O)=O)CC1 1286425887 AUKFLTMEHKBQAF-UHFFFAOYSA-N 478.578 1.480 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)NCC(F)(F)F 1286459996 YHRREDUOAYFRJA-UHFFFAOYSA-N 461.448 1.895 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1286472979 GAHZUKYLSPMZJU-IBGZPJMESA-N 451.531 1.867 30 10 JDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1286503206 BKZRYRJHVRZMDK-UHFFFAOYSA-N 454.604 1.236 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286512926 YXXIPLXTCDGZKO-UHFFFAOYSA-N 465.649 1.366 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1286672000 DTEGOQHNZLBGML-UXHICEINSA-N 496.678 1.372 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286672095 GMGZWDVQHACSLJ-IRXDYDNUSA-N 478.619 1.549 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1286790432 FBSABOLXIKCGQJ-SFHVURJKSA-N 452.625 1.610 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C(N)=O)C2)cc1 1286794524 JIQBWZSUCUOJEG-NVXWUHKLSA-N 462.576 1.203 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1286820814 SGBZUTGMMRSDPF-SFTDATJTSA-N 480.679 1.378 30 10 JDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CSCCN1Cc1ccccc1 1296343663 CJSHISICAGDQML-XLIONFOSSA-N 458.609 1.959 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H](C)N2CCOCC2)c1 1300334427 LVTYPKJLZLFKAO-QUCCMNQESA-N 452.559 1.559 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1300579003 LQTMZRFVQPWIGV-IBGZPJMESA-N 459.554 1.376 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(F)cc(F)c1 1300630773 FTWBHUGAUBZASL-SFHVURJKSA-N 453.515 1.591 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC[C@@H]1C 1300631665 VHIQJLUIAJJUMC-OALUTQOASA-N 452.625 1.335 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300642095 NPBAIEHMDFMDGP-SFHVURJKSA-N 476.578 1.477 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCn2cc(Cl)cn2)CC1 1300688127 BAKSADMYRALXBZ-UHFFFAOYSA-N 473.990 1.654 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCNC(=O)C(C)(C)C)CC1 1300726460 MAQGNVAVBKYBBW-UHFFFAOYSA-N 451.575 1.392 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCN(CCC)C2)CC1 1300729215 QUVQEFVMYNSOIP-LJQANCHMSA-N 455.607 1.098 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCNS(C)(=O)=O 1300789052 WJKZALHWUHKVDH-OAQYLSRUSA-N 463.560 1.512 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCCC1=O 1300806491 WWPSWTOJQULDBG-WMZHIEFXSA-N 492.646 1.396 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300813176 DDBQBVLNIAGKKV-IIBYNOLFSA-N 476.628 1.543 30 10 JDEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOC)C(=O)C1 1301040043 BMGBBYSRPFJBOW-UHFFFAOYSA-N 460.970 1.500 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C2CCOCC2)C1 1301223496 WUHSJRAWVKYXFL-OALUTQOASA-N 453.609 1.830 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(Oc3ncccc3F)CC2)nnc1[C@@]1(OCC)CCOC1 1301518127 GFZFUNBWOLJEGF-HSZRJFAPSA-N 474.537 1.814 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(OCC(N)=O)CC1 1301578131 SJFOVTILPHGSCX-UHFFFAOYSA-N 451.524 1.156 30 10 JDEE CS(=O)(=O)c1cccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCS(=O)(=O)C2)c1 1302427092 GAKYNOYHKDMSNF-QGZVFWFLSA-N 477.612 1.913 30 10 JDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1)C1CCOCC1 1313042101 DIRLKGFJPRFNSZ-SFHVURJKSA-N 451.545 1.148 30 10 JDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1316334903 AHJPWDLIDSROOU-INIZCTEOSA-N 463.585 1.523 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1358955700 RGPGEYANSPJLJE-KRWDZBQOSA-N 483.554 1.400 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(C[S@@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1358960977 PKOPQQNFXZLTIC-MQFAKOPTSA-N 486.623 1.232 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1358967275 HGSBGNZKOBQFRI-OALUTQOASA-N 490.582 1.298 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1358967282 HIKDBBGSXOYPRB-RPZNJDGTSA-N 494.658 1.753 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC[C@@H](C)C1 1359024010 CQZDLXFZNNWQQQ-MOPGFXCFSA-N 451.637 1.777 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)cc2C)CC1 1359044666 LMRHUHQUNUZEKR-OAQYLSRUSA-N 463.586 1.618 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1359044770 OEQXDVGIHZIKGQ-GOTSBHOMSA-N 486.661 1.885 30 10 JDEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1359080874 HELAWVXUSPVWTR-QGZVFWFLSA-N 494.438 1.855 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ncc(Cl)n1C 1359090496 BWAVYIMBLHQBCO-KEYYUXOJSA-N 472.015 1.893 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1359330393 QICONOHYYCVAKU-MSOLQXFVSA-N 459.572 1.802 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H]1CCCO1 1360684735 DPJQQIDAAHWPJU-JXFKEZNVSA-N 474.587 1.987 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCS(C)(=O)=O 1507520489 OTXVCBOFXUPRMK-CQSZACIVSA-N 452.606 1.439 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1507626036 MNENXJAOCNIAIX-LGVFNWMJSA-N 471.627 1.513 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1507632133 XJZCCSPKQQMHSZ-LJQANCHMSA-N 456.572 1.273 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCOC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507634321 JSGWRJPPUBNABF-HXUWFJFHSA-N 473.599 1.476 30 10 JDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1507639670 LTUQVEAGKQQPAK-KRWDZBQOSA-N 490.536 1.289 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(c2ccncc2)CC1 1507653689 QIUWAGJDLONLME-FQEVSTJZSA-N 452.584 1.565 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCOC2)CC1 1507734568 ZYYCHMDXLIHVCX-KRWDZBQOSA-N 451.531 1.318 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCOCC1 1508007912 IAPILUFHXNPINJ-GOSISDBHSA-N 491.589 1.794 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(C)C)CC1 1508090615 JKEXBBGPABPKQK-IBGZPJMESA-N 491.637 1.856 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(F)F)CC1 1508137400 ZUPJJHPPXIHFKH-UHFFFAOYSA-N 455.531 1.942 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1508160728 IBRGGPFRRCLCHS-IEBWSBKVSA-N 495.675 1.333 30 10 JDEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(C)(C)O)C[C@H]2C)CC1 1508278071 ZYYSLIYLGQWWBQ-GCJKJVERSA-N 465.602 1.967 30 10 JDEE CC(C)(C)OC(=O)N1CC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)C1 1508631023 DEOICCUKEFJAGD-MGPUTAFESA-N 468.555 1.489 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc2c(s1)CCCC2 1539012996 HOEXHOCALXTPMU-DOTOQJQBSA-N 478.644 1.647 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1539053507 UCZQJJQTBBHKFI-FHWLQOOXSA-N 452.625 1.239 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1539053698 YADWUNRBKYSMHW-INIZCTEOSA-N 476.563 1.322 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539215731 HZHINTQBLNGESB-GOSISDBHSA-N 461.613 1.879 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1CCCO 1539371108 NVODFDZPECTZLO-UXHICEINSA-N 476.622 1.893 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nncn1CC 1539384744 NPGVOQXHJDTMPF-OAHLLOKOSA-N 460.539 1.327 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(=O)NC 1539391232 BOHWETJZXFOEOG-KRWDZBQOSA-N 461.563 1.731 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2oc3ccccc3c2OC)CC1 1539429802 DDDUSPZKZUCYLI-INIZCTEOSA-N 472.571 1.447 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCNC(=O)[C@@H](C)CCC)CC1 1539475777 NYMMIZOAGPSCKQ-SFHVURJKSA-N 451.575 1.858 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCCCO)CC1 1539477213 KGBBPOKOILEBKK-UHFFFAOYSA-N 487.630 1.367 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1539490235 UKERKHFNXTYUFK-CQSZACIVSA-N 458.510 1.385 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(C(F)(F)F)CC1 1539516741 BHOXBTFQVNHGQB-ZDUSSCGKSA-N 452.524 1.440 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C(C)(C)C)no1 1539556836 IDPDWMWVFXDIDL-HTAPYJJXSA-N 476.603 1.937 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1540861897 KUEIKDRETSGKFV-GOSISDBHSA-N 487.992 1.468 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@@H](CNC(C)=O)C1 1540864886 OHVMGCABBSAHKA-YJBOKZPZSA-N 472.615 1.775 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ccc(F)cn3)CC2)nnc1[C@]1(OCC)CCOC1 1540876427 QUNAZELOESQHGX-QFIPXVFZSA-N 459.526 1.093 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CCOCC2)C1 1540897816 SVCYIECZCPKBIW-UHFFFAOYSA-N 460.560 1.533 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1540898843 WRAPTBCBTLKHFC-AWEZNQCLSA-N 482.404 1.975 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1540904335 MFMUFDUPUZRHSR-MRXNPFEDSA-N 484.504 1.885 30 10 JDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2nc(C)no2)CC1 1555205999 BIJLLQLZELYEER-UHFFFAOYSA-N 464.530 1.872 30 10 JDEE C#CCONC(=O)c1cccc(S(=O)(=O)N(C)c2c(C)n(C)n(-c3ccccc3)c2=O)c1 1557457282 CJJVHCCECWJUDT-UHFFFAOYSA-N 454.508 1.604 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1587692315 CBAUSKXZHUVUEV-LWVPEANGSA-N 489.536 1.365 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCNC(=O)c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1588045226 HMUFCATYULBFRC-LJQANCHMSA-N 494.577 1.405 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1588069675 SJALKJGVFJOJSO-IBGZPJMESA-N 471.587 1.614 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(O)CCS(=O)(=O)CC1 1588128522 NHHWBNKAOGGARX-UHFFFAOYSA-N 465.535 1.613 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)ccc1OC(F)F 1588140120 UDXFDADDFVBKGR-IBGZPJMESA-N 493.536 1.642 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1588174158 QZPYFHQEJTVHIA-JYAXBFRTSA-N 476.581 1.467 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H](OC)C(F)(F)F)CC1 1588929799 HAQLMHKLZCBLIA-HZPDHXFCSA-N 491.536 1.113 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)cc(F)cc2C1 1589068378 BAJVTKBDUAOFHG-IBGZPJMESA-N 497.593 1.818 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ncnn1CC(F)F 1589482064 FPLZBIBIFGLKFK-YJBOKZPZSA-N 464.521 1.988 30 10 JDEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1594813621 VGUVNTACEXCQMQ-SFHVURJKSA-N 454.579 1.712 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccsc1 1595218376 IUCQOJNFSCNPEU-XLIONFOSSA-N 467.617 1.759 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(CC)(CC)C1 1595551632 SYXVFLGZZNBUTM-MRXNPFEDSA-N 486.664 1.025 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1595607986 OABPTZMUWKYWLJ-FPOVZHCZSA-N 474.606 1.533 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@@H](C)C1 1595804948 IXBPCFNJSCPCPA-ROUUACIJSA-N 499.634 1.803 30 10 JDEE CC(=O)Nc1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cc1 1596311439 GFXGNSDFLZAWBM-OXQOHEQNSA-N 489.602 1.408 30 10 JDEE CCCc1c(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cnn1-c1cccc(C#N)c1 1625514552 GPWIKHNLCRVEDC-SJLPKXTDSA-N 455.540 1.671 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 1626032790 HZYWIZHEWWSVPO-OAQYLSRUSA-N 456.587 2.000 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2ncc(Br)cc2Br)CC1 1628146345 FZNDXHNBOFOFJF-UHFFFAOYSA-N 458.154 1.504 30 10 JDEE N#Cc1cc(F)ccc1N1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)CC1 1632333007 FEZAVGUENFFSPW-UGKGYDQZSA-N 454.477 1.690 30 10 JDEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@]12COCCN1C(=O)COC2 1637744088 UFRKGMGZNXUKHG-LJQANCHMSA-N 456.312 1.914 30 10 JDEE COc1cc(OCC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)ccc1C#N 1641093537 HFRZLWYKAPXANQ-UHFFFAOYSA-N 451.451 1.757 30 10 JDEE C#CCN(C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)[C@@H]1CCS(=O)(=O)C1 1666911473 RDTCAWBFYMIADV-GOSISDBHSA-N 453.586 1.824 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)CC1 1669261638 UGLILRFCNNILGL-UHFFFAOYSA-N 454.858 1.898 30 10 JDEE Cc1nsc(N2CCN(S(=O)(=O)[C@@H]3CCCN(C(=O)C4CCCC4)C3)CC2)c1C#N 1669502015 CXRXWAKZIDEDAY-QGZVFWFLSA-N 451.618 1.956 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccc([C@@H](C)CC)cc2)CC1 1679365689 MTZAVCBUMLUINL-KRWDZBQOSA-N 457.618 1.817 30 10 JDEE C=CCC(C)(C)CNC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1682853029 UQCUQXXPXOAJBX-UHFFFAOYSA-N 451.593 1.536 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@H]1C(C)C 1689852156 BIQYVDVMJJVXJB-RDGPPVDQSA-N 453.609 1.520 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689990775 ROZUIRUSYCTFEF-CVEARBPZSA-N 463.526 1.641 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCOC[C@@H]1C 1690000354 ZPNFIDNPZBOYNH-SFHVURJKSA-N 454.962 1.655 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2OC)CC1 1690146128 GQHNNDXZQSURPA-IBGZPJMESA-N 471.583 1.203 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N1CCOCC1 1690257956 ZQLOPOXGQNMAGE-UHFFFAOYSA-N 475.619 1.808 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1690411222 IDLPZARRSIOKKG-IAGOWNOFSA-N 457.622 1.007 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1690661848 IWTNAGBIXKQIJS-LSDHHAIUSA-N 476.379 1.596 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690663088 LSPILJUJSQQREH-GCJKJVERSA-N 476.585 1.108 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@H](OC)C1 1690668603 BHONLIFTGIKURB-QFBILLFUSA-N 465.558 1.838 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC1CC1)C1CCCCC1 1690671160 PUZQJTNJTUHPAO-LJQANCHMSA-N 480.635 1.462 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)CC1 1690678212 ONEMUTOXHBXHPJ-SFHVURJKSA-N 477.610 1.421 30 10 JDEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1694213438 GCBAGRONQPTNTF-LJQANCHMSA-N 480.617 1.768 30 10 JDEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1OC 1697332867 FCZGXEODFAQUEJ-HZPDHXFCSA-N 462.576 1.982 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1698096594 HPLWAHJJHRHNMR-OAQYLSRUSA-N 488.614 1.464 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC2(C(N)=O)CCCC2)c1 1705507176 UJKUTNVQKJTYQQ-SFHVURJKSA-N 450.543 1.884 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1705563742 DMWVKQUGJQPVLV-MRXNPFEDSA-N 459.601 1.703 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OC(F)F 1705612622 KTDYUIKMYCLCDB-GOSISDBHSA-N 483.541 1.915 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCC1(F)F 1705628344 DMUAQLHCBRIRLN-DLBZAZTESA-N 475.562 1.523 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCS(=O)(=O)CC)CC1 1705645654 ZLPRQVLIBONVFU-QGZVFWFLSA-N 491.589 1.958 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCN2CCCS2(=O)=O)CC1 1705647029 XOFMWTUDGGWVRP-UHFFFAOYSA-N 484.626 1.509 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1 1705701423 GLKJTSWUNVPGKY-SCTDSRPQSA-N 476.578 1.504 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1705934063 AEZCOYWRQLIPAE-UHFFFAOYSA-N 479.628 1.657 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC(F)(F)F 1705934289 IAVYFLVJBHWMET-UHFFFAOYSA-N 480.538 1.838 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)OC(C)(C)C)CCO1 1706048544 CCSCKILZHNJGFK-IBGZPJMESA-N 469.546 1.683 30 10 JDEE N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCCS(=O)(=O)c2ccccc2)CCO1 1712883969 CZVCXPZGVVKSHF-IBGZPJMESA-N 452.540 1.857 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCOc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1722358012 BYQIGOZBDLRJQP-QGZVFWFLSA-N 479.990 1.775 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1722361657 IPPREGFESBZODB-KRWDZBQOSA-N 460.556 1.852 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722364325 YTQALFRIMAJDDL-GOSISDBHSA-N 480.516 1.938 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722365263 CTDVJANCIOJSEF-LJQANCHMSA-N 496.593 1.999 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(Cl)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1722367976 NWCKPTLYPJIDSF-WMZOPIPTSA-N 492.001 1.761 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1722370203 MAOJUKQFZCHLII-KRWDZBQOSA-N 488.545 1.947 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722371586 XCHUGUHTZSVCGI-BQJUDKOJSA-N 493.674 1.749 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C(CC)CC)N1CCOCC1 1722397563 RUBKXSPVJFAWDE-VXKWHMMOSA-N 475.659 1.780 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCOC[C@H]2CCOC2)CC1 1722445051 KAVNWYZGDKGMMH-LJQANCHMSA-N 454.575 1.693 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CCO[C@H]2C)CC1 1722448011 UASLIQXPIJEXPI-FYSMJZIKSA-N 473.524 1.653 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N1CCN(CC)CC1 1722449262 SDNZODVWFRUGJB-HXUWFJFHSA-N 492.628 1.304 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1722692536 PVAFOSWRSSUAQL-KRWDZBQOSA-N 453.547 1.412 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1722698435 ZCSOAQCFKRGDDL-UHFFFAOYSA-N 483.598 1.405 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1722699731 XRWZRCIEBGKKRU-VQIMIIECSA-N 475.571 1.496 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1722700492 KSOWFYMAWOQSOY-NHCUHLMSSA-N 494.644 1.193 30 10 JDEE CC(C)(C)[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1724019639 DIYSQQNPCGITRO-ICACTRECSA-N 458.588 1.978 30 10 JDEE CCC(CC)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1)OC 1727147813 HCPHYJPINCCVGE-FXAWDEMLSA-N 468.624 1.946 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCN(C(C)=O)C1 1740546990 MLWWUMXTTJOEQJ-AEFFLSMTSA-N 457.604 1.955 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCN2CCC[C@H]2C)c1 1740565370 TVMAJAFAPPSUOJ-LJQANCHMSA-N 463.586 1.941 30 10 JDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CCS(=O)(=O)CC1 1740608058 KCHPPLGNRLZJIO-KRWDZBQOSA-N 481.619 1.402 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCc2ccccc21 1740671639 LHGJFNDIJQOLAC-GHTZIAJQSA-N 472.615 1.522 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCc2ccccc21 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1.956 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)S[C@H](C)C1 1749667297 XNABCEGRUOWDCQ-GASCZTMLSA-N 463.633 1.871 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1749670159 RWDVHOUMYKRMRX-AVRDEDQJSA-N 478.619 1.240 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1749676513 STNIGSMPGLXQJX-UHFFFAOYSA-N 483.573 1.924 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 1749697630 LSVYCQJKYVHCFL-HOTGVXAUSA-N 486.639 1.973 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)NC)CC1 1749726147 YGBPKAGBJIFLDD-UHFFFAOYSA-N 486.396 1.098 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1O 1749755748 LENFBBJGFVMWDB-SFHVURJKSA-N 467.617 1.872 30 10 JDEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)CC1 1749969390 GVLKBTVUBJPYQQ-JGCGQSQUSA-N 456.572 1.745 30 10 JDEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1760182190 BUDKSAIWOYFSCO-KRWDZBQOSA-N 490.387 1.626 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1760184634 XPNZKZABWDDMTI-DYESRHJHSA-N 480.612 1.136 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCOC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760192002 PFPHRFSYAHDSOL-GOSISDBHSA-N 463.604 1.377 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760192484 UYADTHGNTHXHPZ-OAQYLSRUSA-N 482.610 1.841 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)(F)F 1760205780 JMVBDJIRMFFDGJ-MRXNPFEDSA-N 467.473 1.637 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1760269212 BQFPXMXGEVJJNJ-HMXCVIKNSA-N 491.658 1.741 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2F)C1 1760274041 FSECELMVYRMUEN-YJBOKZPZSA-N 467.592 1.972 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC[C@@H]1C 1760358802 ZNLSMEJVDDGMCZ-IRXDYDNUSA-N 457.597 1.207 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1760515512 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COc1ccc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@H](O)COc2ccccc2)cc1 2327751597 PQUCYCIWKPUUDF-KRWDZBQOSA-N 478.509 1.328 30 10 JDEE COc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2sccc2C#N)cc1[N+](=O)[O-] 9752648 CCLQKOUKQQKHEB-UHFFFAOYSA-N 468.469 1.387 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 33233815 XCELVHZBNXNABY-UHFFFAOYSA-N 469.007 1.187 30 10 JDEE CCOC(=O)N1CCN(c2c(/C=C3\SC(=S)N(C)C3=O)c(C)c(C#N)c(=O)n2C)CC1 33460093 ZYOLDTNYUBVABF-GDNBJRDFSA-N 461.569 1.675 30 10 JDEE CS(=O)(=O)N1CCCN(C(=O)c2ccc(C#N)cc2)CCNC(=O)C[C@@H]1c1ccccc1 257179270 IHMUBHPCPLRYJO-OAQYLSRUSA-N 454.552 1.913 30 10 JDEE N#Cc1ccccc1N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 508025220 AZVDYWXWNUYHPC-UHFFFAOYSA-N 460.581 1.854 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)OCCCOc2cccc(I)c2)C1=O 726037694 NNPYNHIGBYFVTO-UHFFFAOYSA-N 472.235 1.580 30 10 JDEE CS(=O)(=O)CCn1c(=C(C#N)C(=O)c2ccccc2F)sc(=Cc2ccccc2)c1=O 729674420 GXVQYULLHTYCPT-UHFFFAOYSA-N 456.520 1.479 30 10 JDEE C#CCN(C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)[C@@H]1CCS(=O)(=O)C1 918754790 GPTCSIQFEDWCTL-MRXNPFEDSA-N 450.513 1.889 30 10 JDEE C=CCOc1cccnc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1126141506 NPVWFRMXVNOPBV-UHFFFAOYSA-N 458.496 1.124 30 10 JDEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br)C1CCOCC1 1148195521 WZQVBJJDZLVDHX-QGZVFWFLSA-N 459.362 1.532 30 10 JDEE CC(=O)N[C@@](C)(C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1)c1ccc(S(C)(=O)=O)cc1 1151411805 KBXPHSGCKCCEEC-PKTZIBPZSA-N 454.552 1.920 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)CC1 1223903015 XINDQJMWUBBHFC-HXUWFJFHSA-N 456.543 1.032 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccccc2N2CCN(C(C)=O)CC2)n1 1225837480 NZYPHCLYXNDREY-UHFFFAOYSA-N 452.559 1.543 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cn2ccnc2)c1 1286296879 SDUIEZGFUUDUNU-RXVVDRJESA-N 483.598 1.362 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCn2ccnc21)[C@@H]1CCS(=O)(=O)C1 1286382566 SKTFIHCTMJTGEK-PKOBYXMFSA-N 487.630 1.597 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1286383083 LADUDZYBICNESW-JQVVWYNYSA-N 464.588 1.638 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1286389810 RDWCOWXYCQZBDH-ROUUACIJSA-N 497.625 1.951 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(SC)cc1 1286409615 NZNNTLAQQFSQMH-FQEVSTJZSA-N 473.624 1.648 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1286453339 ZIXNCLNLCUVNEF-LSDHQDQOSA-N 479.516 1.722 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2nnc(CC)s2)CC1 1286493844 GVDAHJXJDURPGP-LPHOPBHVSA-N 473.603 1.430 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286500573 YRIFRFQWEWIPLI-UHFFFAOYSA-N 498.609 1.256 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)(=O)CC1 1286509539 SROZDQWKGZEPJD-INIZCTEOSA-N 485.632 1.188 30 10 JDEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286543876 CEEHLNBGRKCLSU-OAHLLOKOSA-N 460.336 1.645 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286561524 NXMGAGNGOYZOTQ-UYAOXDASSA-N 469.590 1.438 30 10 JDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)N1CCSCC1 1286716912 OFPKTWYWHYBNPE-IBGZPJMESA-N 459.638 1.320 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1286783244 IBCAOSWMHUBBDJ-AWEZNQCLSA-N 491.346 1.659 30 10 JDEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCS(=O)(=O)N1CCSCC1 1290845351 HUYXRNMMXMNQNJ-UHFFFAOYSA-N 489.671 1.549 30 10 JDEE Cc1noc(C)c1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1290936311 HBLKBZCBZHNXAD-PXNSSMCTSA-N 463.564 1.394 30 10 JDEE CCOc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1OC(F)F 1296828235 AJXWDAXVFQMRJG-JKSUJKDBSA-N 497.524 1.957 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1300479319 LIOZGRCLWRAQMI-PGRDOPGGSA-N 477.562 1.090 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1300491769 IOWVSJSLMJZJQK-HXUWFJFHSA-N 484.582 1.531 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccs1)N(C)C 1300578176 IKZQCULDRFTRKZ-RBUKOAKNSA-N 490.655 1.438 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(O)CCCCCC2)CC1 1300717095 YJBZEALWSFKEJE-VWLOTQADSA-N 473.618 1.981 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CC[C@H](CO)O2)CC1 1300730996 JYOBNLSBLXNHOM-VQTJNVASSA-N 483.569 1.371 30 10 JDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCNC2=O)CC1)c1ccccc1 1301002991 COHHVLITDLNFAX-GOSISDBHSA-N 487.630 1.986 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1301489784 BRZKOHJPFTWINC-UHFFFAOYSA-N 459.982 1.547 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1301609148 DMYHDXCDYQPLKQ-KRWDZBQOSA-N 454.556 1.881 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCNC(=O)C(C)(C)C 1303401862 AFSLULAQFOPKEH-UHFFFAOYSA-N 467.578 1.172 30 10 JDEE CCCN1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](CNC(C)=O)C2)C1 1307037935 GXHPXNMLCYKUSZ-IRLDBZIGSA-N 451.575 1.890 30 10 JDEE C#C[C@@H](NCC(=O)N(CC(C)C)c1c(O)nc(=O)n(Cc2ccccc2)c1N)[C@H]1CCCO1 1307703376 SJNCKOIHVINRIC-RTBURBONSA-N 453.543 1.339 30 10 JDEE CCN(CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1313708691 AVSDXSZDZVBHFS-UHFFFAOYSA-N 465.606 1.839 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2Cc2cccs2)C1 1316353979 DQXRGFMQPRGPLQ-QGZVFWFLSA-N 450.590 1.851 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(CC)C2)c1 1358901265 FLLRYRABHMXTOO-MJGOQNOKSA-N 487.630 1.286 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1358912474 RUQUHSHNPYQDAI-QGZVFWFLSA-N 471.649 1.234 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC[C@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358955247 IKQWIZNSGGFNII-VQTJNVASSA-N 499.641 1.817 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358959991 UICXNQFBSDMQIZ-MRXNPFEDSA-N 475.571 1.067 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358967361 JAISCVDMPFWHDI-NCXUSEDFSA-N 451.637 1.774 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccc(C)cc1 1358994832 XJMLHMRJXMPEMS-UNMCSNQZSA-N 485.610 1.850 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1359031892 SQWJJUXAYNYEJN-GGAORHGYSA-N 498.653 1.932 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCCn2cc(Br)cn2)CC1 1359036392 VPILTLXBXGXCRM-KRWDZBQOSA-N 462.396 1.977 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1359208412 LONJYMHTRQUJFY-OAHLLOKOSA-N 455.654 1.858 30 10 JDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359228452 DGIXMURTQQQAQN-DLBZAZTESA-N 458.588 1.919 30 10 JDEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359286431 PRJDODZXUXQMOA-UHFFFAOYSA-N 492.584 1.595 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1359292716 WKIMHMVRKOOZLZ-VQIMIIECSA-N 476.603 1.331 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 1359313756 QXDSYOZALLAFPO-RDJZCZTQSA-N 484.623 1.537 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H]2c2cnn(C)c2)nnc1[C@]1(OCC)CCOC1 1359335669 RDKJVEFWDVIYMQ-NQIIRXRSSA-N 464.592 1.606 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1359352981 NXTUXFQURBNOQZ-SLNYWTKHSA-N 471.562 1.146 30 10 JDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(N)=O)c(F)cc1Br 1474863330 RIAWZGHMZMDDRH-SECBINFHSA-N 455.327 1.051 30 10 JDEE C#CCN(C(=O)Nc1ccn(CCN2CCNC2=O)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1477112461 BHPSDGVOASHTGT-UHFFFAOYSA-N 459.551 1.775 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1502372065 AGYVQMZOSWORAK-MRXNPFEDSA-N 472.546 1.862 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1507621559 BSCFDRGZNOUVBO-WBVHZDCISA-N 455.606 1.015 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507622000 ADFJSGZIMLJLHP-SJORKVTESA-N 478.644 1.407 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(NC(C)=O)nc1)[C@H]1CCS(=O)(=O)C1 1507629221 LCFKQTKGVQQBSO-NRFANRHFSA-N 489.561 1.845 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507635308 RRPCQPQUPHUNIC-WMZHIEFXSA-N 457.600 1.832 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-n1cccn1 1507672239 WFCNTZPQPJGFNO-JOCHJYFZSA-N 493.593 1.308 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCS(C)(=O)=O)CC1 1507717660 FHFDIXVUIODCFZ-UHFFFAOYSA-N 482.404 1.516 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCS(=O)(=O)CC=C)CC1 1507738313 MRHKMOZDEGKLQB-UHFFFAOYSA-N 480.594 1.993 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1507741313 ZALHBBLYBPGHRY-SIKLNZKXSA-N 454.575 1.348 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1507804800 HWRXRHNLSUMENB-VCOUNFBDSA-N 466.542 1.661 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1508087992 VEONBOQGIFJUKQ-UHFFFAOYSA-N 471.993 1.225 30 10 JDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1508105436 ROEYFBDBTSMIFM-UHFFFAOYSA-N 492.584 1.465 30 10 JDEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCN2CCN(C(C)=O)CC2)CCOC1 1516192098 COPQMZHKWLGYFU-GOTSBHOMSA-N 459.595 1.224 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1539101915 MJTWGCMFAUEANJ-UHFFFAOYSA-N 494.643 1.081 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1539230171 LAILCDWHJKHSAQ-GOSISDBHSA-N 469.571 1.461 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CSC)c1 1539369005 GJZUQZBNKDSNKC-LJQANCHMSA-N 463.629 1.982 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(=O)NCC(F)F)CC1 1539435806 BEQHBBSMOFHHCA-UHFFFAOYSA-N 452.893 1.744 30 10 JDEE C=C(Br)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539579340 JJLPKXAZSXCSTO-KGLIPLIRSA-N 493.337 1.613 30 10 JDEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539587695 JKGJJYGJCIJRRP-AWEZNQCLSA-N 461.320 1.009 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1539620186 JXDXARRTBXMVFR-SXLOBPIMSA-N 489.598 1.281 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1540854822 GUKAYFVKMGNZBH-UHFFFAOYSA-N 473.603 1.766 30 10 JDEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1540859579 PWKWCXYOXJEMCT-UHFFFAOYSA-N 472.571 1.898 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1540866300 IZHHBNYNJOVILG-JOCHJYFZSA-N 475.571 1.280 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](N2CCCC2=O)C1 1540875423 LMRGUELRBGIEOD-KRWDZBQOSA-N 456.522 1.890 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C(C)(C)O)c2)C1 1540882466 IZRXTMJQXWETAT-QFBILLFUSA-N 463.604 1.945 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCS(=O)(=O)N(C)C)C1 1540896893 WECNEZSCGOIPGD-KSZLIROESA-N 498.650 1.722 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](COC)C1 1540899182 GGGLSPZTKHOJGE-QGZVFWFLSA-N 451.505 1.306 30 10 JDEE CC(=O)N1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 1540954541 FEMJZQIPAGXCDD-FQEVSTJZSA-N 499.641 1.935 30 10 JDEE Cc1ncc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)s1 1542953933 BFNJYHCPOGMPSF-FQEVSTJZSA-N 458.569 1.768 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCCCO4)n3CCCC(=O)N(C)C)CC2)c1C#N 1543001816 DJIZMJRTECDWGI-IBGZPJMESA-N 469.594 1.628 30 10 JDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1544575064 DICUUMSQSKKLPT-LPHOPBHVSA-N 472.571 1.363 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3ccc(S(=O)(=O)NC)cc32)s1 1545088694 RHGXUXTXARUORC-UHFFFAOYSA-N 455.583 1.252 30 10 JDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1587878767 GPPWOJFMYUFZFK-GOSISDBHSA-N 469.615 1.426 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCNC(=O)c1ccc(C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1588059950 XHSTZXRZEVKGMK-IBGZPJMESA-N 475.590 1.981 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1588069349 MBMAQJIQLNCGTB-INIZCTEOSA-N 479.628 1.569 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCNS(=O)(=O)c1ccccc1 1588218681 AGWUGNXKMLEIHC-UHFFFAOYSA-N 480.550 1.447 30 10 JDEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@]1(O)CCS(=O)(=O)C1 1588574415 HHDUERBGZBDHHE-WMZHIEFXSA-N 476.599 1.671 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(C(N)=O)CCOCC1 1588603952 AGTCDFPLKVRQKV-UHFFFAOYSA-N 461.950 1.975 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1COCCO1 1589171584 KOWJNTYQTDUESK-XMSQKQJNSA-N 459.572 1.603 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1589404025 FVLPIFHXBBUNMV-KRWDZBQOSA-N 483.411 1.409 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)=O)C[C@H]1C 1589483242 NSJJKSKJAPZPIY-POAQFYNOSA-N 453.547 1.964 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C(=O)OC)C1 1593712126 SNPDDKKWXQWGDE-SFHVURJKSA-N 477.587 1.787 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nccn2C(F)F)CC1 1594241432 QHFGUWCTSFHOGY-HNNXBMFYSA-N 471.534 1.653 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1595529875 KPGMJMSWMFNJLZ-UHFFFAOYSA-N 453.522 1.694 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C1CCC(NC(C)=O)CC1 1595537035 LWSZEJKAFXAYRU-UHFFFAOYSA-N 492.584 1.378 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1595593816 JBLCDJKNKLECHQ-QGZVFWFLSA-N 457.466 1.568 30 10 JDEE C=CCNC(=O)Cn1c(N2C[C@@H](C)OC3(CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1595593900 JUHWSBXVZUAWBX-JPYJTQIMSA-N 463.579 1.395 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1595766583 UKPILPRKDNPXLX-WMZOPIPTSA-N 498.627 1.190 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H](C)C1 1596184940 YJZGJRPIHAJSHG-JEBJBBSMSA-N 463.542 1.837 30 10 JDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1615213259 HTLQAMALCITMRO-HXUWFJFHSA-N 466.567 1.886 30 10 JDEE CC(=O)c1ccc(NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3NS(=O)(=O)c2ccccc2C#N)cc1 1616132274 WFSLLUBNERJFRU-VURPSTOHSA-N 471.491 1.823 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1617705773 GLSUMJMNIMBMNM-KRWDZBQOSA-N 492.627 1.370 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1617868459 BMUXMOMTWKMYIS-GOSISDBHSA-N 452.544 1.667 30 10 JDEE COC[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1619572378 AIDJYKGLYQLRQI-QGZVFWFLSA-N 461.530 1.801 30 10 JDEE C#CCN(CC(=O)N(CC(C)C)c1c(O)nc(=O)n(Cc2ccccc2)c1N)C1CSC1 1643771254 GVBDHGTWOWFPNH-UHFFFAOYSA-N 455.584 1.619 30 10 JDEE COc1ccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1C(=O)N(C)C 1668498287 DVOUVBJIIDCCBV-CZUORRHYSA-N 452.533 1.434 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1689916185 BREBIOHQHKCKAX-HXUWFJFHSA-N 486.642 1.767 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CCOCC2)C1 1689930526 TVLBDQFGDRELSF-GOSISDBHSA-N 451.593 1.421 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689988046 HTOCSTPNYXSBCS-YADHBBJMSA-N 498.653 1.746 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cccnc1OCCC)[C@H]1CCS(=O)(=O)C1 1689996845 PUSOGSOBLDCHRH-NRFANRHFSA-N 497.625 1.999 30 10 JDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCO[C@@H]1C 1690082960 VGOAVPRFMROTOK-PXDATVDWSA-N 452.603 1.642 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1690113164 BGYOQHZHKFLZND-QFIPXVFZSA-N 498.575 1.845 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1690139387 KNVSLJWWWNKCIV-FPOVZHCZSA-N 482.541 1.871 30 10 JDEE C=CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C)CC1)c1ccccc1 1690445402 XAGCFSOMNNOACU-LEWJYISDSA-N 465.602 1.799 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(CC)noc1C 1690597347 RBYLKNJCKZYTTK-GOSISDBHSA-N 450.565 1.697 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(F)(F)F)CC1 1690731848 RMQBUOOLBVTNPX-HOTGVXAUSA-N 481.541 1.287 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1705558547 ARVCAYYEZJQZQX-QZTJIDSGSA-N 451.593 1.392 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CC1(CS(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1705564488 OSRYRMYYLZVJSD-MRXNPFEDSA-N 480.587 1.536 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cscc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705564653 CATOMCZYFYSXQO-ZFWWWQNUSA-N 487.529 1.985 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCN(CC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705565009 FIFZGRFNOILKRJ-DLBZAZTESA-N 494.618 1.113 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1705569489 HRQBBXRRQXIFRJ-IBGZPJMESA-N 465.583 1.400 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1c(O)nc2ccccc21 1705590066 ZYRBPDCVAAUYDK-MRXNPFEDSA-N 455.544 1.107 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCc1ccc(S(N)(=O)=O)cc1 1705626658 DSNLMQMZNPTUSS-UHFFFAOYSA-N 454.556 1.625 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1 1705701422 GLKJTSWUNVPGKY-LNLFQRSKSA-N 476.578 1.504 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C[C@H]2CCCO2)CC1 1705898151 CARYFQKHYXFNDW-LJQANCHMSA-N 470.574 1.566 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1705898290 HNFNPDMHHWOMEU-HJPURHCSSA-N 457.531 1.649 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1705899863 JIFWEOXETBKASR-LJQANCHMSA-N 495.628 1.825 30 10 JDEE Cc1nc([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NCC(F)F)CCO2)no1 1707741429 DYJYLLJVPJXGCX-OAHLLOKOSA-N 458.429 1.467 30 10 JDEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C1 1711347649 DANLBTXXQTYTNI-UJQZNKFNSA-N 456.572 1.602 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(C)(C)C1 1712453834 BATDXALLFKDNPY-KRWDZBQOSA-N 454.597 1.414 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722364847 MOYNXSNRGUCCFW-PKOBYXMFSA-N 491.589 1.956 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOCC(F)(F)C(F)F)[C@@H]1CCS(=O)(=O)C1 1722368821 WLBRGNTZQNHZBD-HUUCEWRRSA-N 482.500 1.716 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccc(-n2cccn2)cc1)[C@H]1CCS(=O)(=O)C1 1722371459 WPVGSCPDEKOAAQ-FQEVSTJZSA-N 454.556 1.675 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCS(C)(=O)=O 1722395180 SZPNLEDXFBEGFR-UHFFFAOYSA-N 476.628 1.444 30 10 JDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1722459556 MUOBCALICHWYSJ-NRFANRHFSA-N 468.627 1.587 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCOCC2)CC1 1722459722 PQBHXPGXZMJVJW-LJQANCHMSA-N 467.661 1.095 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)Cc1cccc(F)c1 1722467557 UGSDLBFNURSUKR-KSFYIVLOSA-N 476.578 1.378 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC)C(=O)C1 1722510676 WMLKBQRLCXBCGX-LMMKCTJWSA-N 451.593 1.220 30 10 JDEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCS(=O)(=O)NC(C)C)CC1 1722578398 KFQBPAZOLSWGQZ-UHFFFAOYSA-N 485.614 1.922 30 10 JDEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1722619770 CUUUJTFHFOWEDP-IBGZPJMESA-N 453.547 1.954 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1722691753 SQOAIXQTUXRLMA-YCRPNKLZSA-N 497.021 1.028 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1722697349 IHUGSGZOWGCZHA-PZJWPPBQSA-N 480.617 1.459 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1722698523 GUGDCEBHOBSLNI-QGZVFWFLSA-N 471.558 1.715 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(c2nccnc2C)CC1 1722702241 MBOFJMMYZYRUEZ-UHFFFAOYSA-N 462.558 1.893 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](NC(=O)C(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722704403 SHYJSXJXXWTFFM-WZONZLPQSA-N 462.595 1.362 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1722706048 LYEKBQNDOKRGIT-KRWDZBQOSA-N 496.547 1.696 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1 1722707725 XSLNAQXRKLSPSF-IBGZPJMESA-N 463.560 1.061 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1722731550 NMWPXKJIXPYSHG-NVXWUHKLSA-N 463.535 1.312 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCC(=C)C)c1 1740564232 FUXLIJLWWKJFGG-LJQANCHMSA-N 471.583 1.829 30 10 JDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1740579614 RBTJBBXCUQHEQX-IBGZPJMESA-N 457.623 1.743 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1740581479 YRXOHKJYUDSOAJ-QGZVFWFLSA-N 478.594 1.772 30 10 JDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CCS(=O)(=O)CC1 1740606997 AAFAIYJTVPLYSP-UHFFFAOYSA-N 450.590 1.132 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1740615306 ABUAQRRDZUKVHP-WMLDXEAASA-N 462.576 1.452 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOCC(F)(F)C(F)F)[C@H]1CCS(=O)(=O)C1 1740627270 OZPSXLQBYQVXJO-KGLIPLIRSA-N 468.473 1.326 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1740629631 URGJGOFVDROQKW-HZMVEIRTSA-N 474.530 1.053 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CCC1 1740687013 ZJZDLQIQCKJVOC-IBGZPJMESA-N 460.556 1.844 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccsc2)N(C)C)CC1 1740705911 NZTIQVWXBKHCRG-RTBURBONSA-N 469.615 1.559 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCS(=O)(=O)CC1 1740763763 POZDWHSHGHJUIF-YJBOKZPZSA-N 465.601 1.486 30 10 JDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740936909 NPHZPUOIGSHLJP-OALUTQOASA-N 480.635 1.357 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CCC(=O)N(CC)CC)CC1 1740946886 KUAIFYQLBVSNOQ-IBGZPJMESA-N 482.651 1.662 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1740951815 OKRQJSKVRHPWKM-ROUUACIJSA-N 485.976 1.411 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCCC2=O)CCO1 1741104015 FHUXPTVZJUFSPS-JOCHJYFZSA-N 479.585 1.951 30 10 JDEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N1CCOCC1 1741311187 HNJJCFRDDUFFSS-LEWJYISDSA-N 472.615 1.797 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H](C)CN1CCOCC1 1741875072 HNTHUGGQAHDEHR-IBGZPJMESA-N 498.607 1.722 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1748651906 SZAMODNEDDHVRN-IAGOWNOFSA-N 459.572 1.301 30 10 JDEE C#CCCCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1748730102 IAFILVAHAMRGFE-JKSUJKDBSA-N 469.518 1.935 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748808703 GGKUZIKMASRWNQ-GOSISDBHSA-N 473.599 1.885 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(F)ccc2OC)CC1 1749009323 HULJGLXMIHWHOW-SFHVURJKSA-N 454.506 1.391 30 10 JDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1749031751 IJKXZORITPQEGR-KRWDZBQOSA-N 450.634 1.758 30 10 JDEE C=CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749413445 VLHZQGNQBMQDJV-QZTJIDSGSA-N 468.558 1.930 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCN(Cc2ccccc2)C1 1749670611 VEJVVBWYBIMKPI-NHCUHLMSSA-N 486.642 1.441 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749727532 WWBBRZZLYSONHH-INIZCTEOSA-N 484.600 1.186 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1749730968 XHNPAQMEKGEDQG-UHFFFAOYSA-N 482.570 1.955 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760182896 MZCOXPKZEUHCHQ-YYDVJCTNSA-N 478.663 1.554 30 10 JDEE C#CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1760183050 LNFYQRJHJPSGHD-KRWDZBQOSA-N 494.503 1.890 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)N2CCOCC2)CC1 1760255398 ZRAVBAUXTYHNKU-IBGZPJMESA-N 454.575 1.438 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC(C)(C)C1 1760282282 ZAPHWDVZXPKQTB-INIZCTEOSA-N 471.649 1.371 30 10 JDEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760343148 BLTNIKOXEAUPTA-HNNXBMFYSA-N 459.348 1.739 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1760356798 XDCPGSBBIKQORA-QGZVFWFLSA-N 457.535 1.517 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCS(=O)(=O)C1 1760486260 INDXLJDJRPEUTP-DNVCBOLYSA-N 451.574 1.033 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](NC(=O)OCC)C1 1760519546 HZLMKBHBUNYJBY-INIZCTEOSA-N 456.503 1.691 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1760554021 OQCPSHUEEBOGGR-UHFFFAOYSA-N 482.545 1.673 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C(C)C)C1 1760556325 ZZTIRVSPEDHRIH-FQEVSTJZSA-N 489.646 1.914 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1760558608 UWKHVWFLWJXHFM-GBESFXJTSA-N 453.609 1.277 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1 1761262891 GHVAFLJVURMQRP-UHFFFAOYSA-N 466.590 1.332 30 10 JDEE Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](c3cccc(C#N)c3)C2)on1 1762679734 HEJICOTXDNIKKC-HNAYVOBHSA-N 471.543 1.683 30 10 JDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)NCCc1ccccc1 1766400398 BXBRNBVZTSGORU-UHFFFAOYSA-N 474.569 1.767 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)C1 1767251941 HCNVLRXVAMRYGY-SFHVURJKSA-N 455.548 1.017 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1769368387 AIPFMRFGALLSFG-NRFANRHFSA-N 488.614 1.920 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1772564584 DGEWQROZYQVWAF-HXUWFJFHSA-N 490.630 1.764 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)C1 1858313323 YTPVBAZHURIGPJ-KRWDZBQOSA-N 466.519 1.514 30 10 JDEE N#Cc1ccccc1NC(=O)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1858374172 HJOZLLDOKQWFSF-IBGZPJMESA-N 468.535 1.680 30 10 JDEE N#Cc1ccccc1NC(=O)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1858374173 HJOZLLDOKQWFSF-LJQANCHMSA-N 468.535 1.680 30 10 JDEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)NCCN(C)C)cc21 1858807254 PZCJYCIHKDRFKK-UHFFFAOYSA-N 453.499 1.938 30 10 JDEE CC(=O)N1CCN(C(=O)[C@@H](CSCc2ccccc2)N=C2NS(=O)(=O)c3ccccc32)CC1 1869927811 CEYCWAZVQFWWBO-HXUWFJFHSA-N 486.619 1.718 30 10 JDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC(C)C)cn1Cc1ccc(S(N)(=O)=O)cc1 1870511454 BRFTVYZOHKITSA-UHFFFAOYSA-N 488.610 1.621 30 10 JDEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(NCc3ccc(S(N)(=O)=O)cc3)ncnc21 1875230338 UTPBAUQIGPPEKS-UHFFFAOYSA-N 497.581 1.181 30 10 JDEE COc1cc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)ncc1Br 1889367655 HJMDULVBUNTMNJ-UHFFFAOYSA-N 465.392 1.725 30 10 JDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1 1891951694 NGUAWDNTVLLNBI-GOSISDBHSA-N 455.540 1.819 30 10 JDEE CON(CCNC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255649270 IKMSENLGUZUTAR-UHFFFAOYSA-N 458.752 1.901 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 2255749300 QYJJWTUJNSQSAA-JOCQHMNTSA-N 456.374 1.053 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256619514 ZTHIJFCQTZAMKH-WNGYAQOMSA-N 450.370 1.747 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256622283 FPTJLPXLMMENDZ-OCCSQVGLSA-N 453.370 1.429 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)n1 2267171468 KNNSPPUICCOBRN-GFCCVEGCSA-N 462.278 1.905 30 10 JDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2268635926 XHFZDJCQOXCCOL-HNNXBMFYSA-N 465.381 1.399 30 10 JDEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2269901561 WRSWSXQQLBZBIZ-CQSZACIVSA-N 450.345 1.124 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@](C)(NC(=O)OC(C)(C)C)C2CCC2)n1 2281939453 XTFBVCANGDKOFU-QFIPXVFZSA-N 463.388 1.928 30 10 JDEE Cn1cc(C(=O)N2CCCO[C@H](CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282046798 PWVGIGBEMKHYPY-OAHLLOKOSA-N 464.372 1.475 30 10 JDEE Cn1cc(C(=O)NC[C@@H]2C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282049304 XSERDARETLLRHN-DZKIICNBSA-N 464.372 1.113 30 10 JDEE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282176695 BBIZPLGZFWRKLI-HUUCEWRRSA-N 463.388 1.880 30 10 JDEE C[C@@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@@H]1NC(=O)OC(C)(C)C 2282319629 WVVNSLNZYJRLDT-KGLIPLIRSA-N 485.416 1.038 30 10 JDEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282551452 DFYHHNNHRGFTRP-INMHGKMJSA-N 464.372 1.520 30 10 JDEE Cn1cc(C(=O)N[C@H]2[C@H]3OCC[C@@H]3[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282587918 BZVCXZAFPOIZTR-MIGQKNRLSA-N 462.356 1.130 30 10 JDEE CC(C)(C)OC(=O)N1CCO[C@@H](CCNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283068978 PIYQBLOHHCRKOO-HNNXBMFYSA-N 462.356 1.532 30 10 JDEE 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C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCOC)CC1 1539916831 OLTMQJFYHDKCDX-GOSISDBHSA-N 467.636 1.762 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1c(C)noc1C 1540864721 JBCNRKFJPCGKMP-UHFFFAOYSA-N 458.544 1.892 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1540870380 LWTHAGKQHLDUQA-GOSISDBHSA-N 456.547 1.647 30 10 JDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540873747 IMVCPSLZHPNLIB-SFHVURJKSA-N 460.604 1.226 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1540876887 FHIIUIFKGRFIFL-SCTDSRPQSA-N 478.594 1.798 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1540898586 OMJJWKCSODDDHK-WBVHZDCISA-N 480.587 1.779 30 10 JDEE C=CC[C@@H]1CCCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1557407787 QYLYZGIYEHPRRW-NVXWUHKLSA-N 451.545 1.185 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)CC1 1563688982 ZFNKCYUDUAWULS-GOSISDBHSA-N 457.556 1.516 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCCC)cc1)[C@@H]1CCS(=O)(=O)C1 1588053309 CHXVWJGDNMMOLE-QUCCMNQESA-N 471.583 1.693 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1588064143 BJTGNHCEMIGBIP-NRFANRHFSA-N 451.552 1.431 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588064802 PHXBGPRLGJGCGO-OAQYLSRUSA-N 472.615 1.003 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1588069645 RVTCMOWPLVNIEF-JOCHJYFZSA-N 481.626 1.881 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCS(=O)(=O)N2CCSCC2)CC1 1588780329 LRRSYWZVOFJZQP-UHFFFAOYSA-N 490.655 1.088 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1589708981 ZANUVEPXURXLKM-GOSISDBHSA-N 481.667 1.235 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1594963656 WDQNATAGFMNCBR-SFHVURJKSA-N 496.634 1.800 30 10 JDEE C=CCn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595453331 UQYOOSRYFRBZNS-WOVMCDHWSA-N 473.578 1.162 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1595556127 OMYRAINLQIUQHX-QGZVFWFLSA-N 469.565 1.099 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1595577463 SVIKDRNQVSNCOB-DEOSSOPVSA-N 476.541 1.516 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCCN(CC)C(=O)C1 1595577614 YPHYKIUEAVYICD-UHFFFAOYSA-N 491.390 1.980 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1595594654 NVHBVUHPRUEOHK-GOSISDBHSA-N 471.558 1.942 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCc3ccccc3C2)C1 1595673586 IFQCOKVYDAIIQP-RXVVDRJESA-N 474.631 1.728 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)c(F)c2)C1 1595729032 IHIDIZZOYYQAKK-LPHOPBHVSA-N 483.541 1.719 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1595784103 CMTHMOZHEBAQNJ-MRXNPFEDSA-N 472.575 1.272 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1595821461 BTPKGIALGQKFSE-FQEVSTJZSA-N 473.599 1.449 30 10 JDEE C=CCCC[C@H](NC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1)C(=O)OC 1596244812 QEEZMBKRPPAMNY-YZGWKJHDSA-N 452.573 1.948 30 10 JDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cc2c(cc1OC(F)F)OCO2 1631695803 AOLFZZZXEWSCDS-LLVKDONJSA-N 453.423 1.872 30 10 JDEE CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1662816927 BIMKKWKMDIAEFZ-UHFFFAOYSA-N 458.588 1.983 30 10 JDEE CS(=O)(=O)NC1(CNS(=O)(=O)c2cc(Br)cc(C#N)c2)CCCCC1 1666249215 FXGZXUWUYVHDPM-UHFFFAOYSA-N 450.380 1.851 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1680700119 KWYIWDBVLFOIEK-PBHICJAKSA-N 457.574 1.532 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 1685846403 YCIMHFWYPVBQLM-YPAWHYETSA-N 459.616 1.082 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1689977693 AQSMLIDJCWORQL-GOSISDBHSA-N 465.620 1.594 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(C)COCCO1 1690103151 AFMVJJNVJQAQDH-QHCPKHFHSA-N 455.563 1.344 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2cccc(F)c2)CC1 1690136854 KOBWTWSOQCIKGZ-UHFFFAOYSA-N 456.522 1.600 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCCn2cnnn2)CC1 1690140127 MSIZWXKKBOZWQH-UHFFFAOYSA-N 453.938 1.641 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1690142751 TVIQPPIVMAICGY-UHFFFAOYSA-N 488.596 1.833 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@]2(C)COCCO2)CC1 1690150810 WAWJEWCKQIURJH-RUZDIDTESA-N 451.571 1.835 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@H]1CC 1690170475 KHFZMCKVIJTGLQ-QGZVFWFLSA-N 451.556 1.273 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1690299247 KLZNTFIGYHCJCV-GOSISDBHSA-N 468.624 1.215 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690432452 DPNRNSICFOFZFN-JXFKEZNVSA-N 456.634 1.798 30 10 JDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCCS1(=O)=O 1690516974 VXZJGYBVGWCVFG-UHFFFAOYSA-N 467.621 1.204 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1690655199 KMQVSHFXZXIJMQ-UHFFFAOYSA-N 453.547 1.568 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1690677968 GOSVHJHOINUXCR-HBFSDRIKSA-N 476.622 1.683 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1690742536 UATOGBDHIJUGGS-AWEZNQCLSA-N 462.605 1.855 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2cnccc2OC)c1 1705504516 YJOMLDLQDKWDMC-UHFFFAOYSA-N 461.526 1.924 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1705559330 YAMAANJXPSFQHX-SFHVURJKSA-N 452.625 1.162 30 10 JDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC1(N2CCCC2)CCOCC1 1705584966 FNWLLRCIMLHAJM-UHFFFAOYSA-N 466.611 1.987 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2ncccc2F)CC1 1705632087 HNWXWCOZOGATNU-UHFFFAOYSA-N 450.478 1.294 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2cccs2)N2CCCC2)CC1 1705632974 GHGQBSNPDYJAKV-RBUKOAKNSA-N 491.687 1.542 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CC23CCOCC3)CC1 1705645532 WUUYSZFHHSBKSG-AZUAARDMSA-N 459.591 1.785 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C(=O)NC)C1 1705695645 JFZZIPQNJIEHHU-WDSOQIARSA-N 456.503 1.786 30 10 JDEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1705727174 KCJNOSJVQPVVGJ-JOCHJYFZSA-N 456.639 1.947 30 10 JDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1705729388 VUXZEWXNTGNUOI-OTWHNJEPSA-N 469.608 1.209 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC2CCOCC2)CC1 1705805409 GNRUHPUEMSFSCP-OAQYLSRUSA-N 496.678 1.516 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1705811251 BDOHLSVBCBNGLZ-HOCLYGCPSA-N 465.576 1.925 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CC(=O)NC)CC1 1705901681 SWQFTQWYRYVTCN-UHFFFAOYSA-N 464.530 1.249 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1705907254 FSGBRSMFNIFINM-FQEVSTJZSA-N 451.575 1.808 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@@](O)(c3cccc(F)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705908433 PHXRKCZTPYNXOP-ZEQRLZLVSA-N 473.549 1.858 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N1CCN(C)C(=O)C1 1705931488 RAEOWDCRGFYYCC-UHFFFAOYSA-N 474.406 1.648 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)N1CCN(CC)CC1 1722275792 DFIQZWHKDYKMDD-WOJBJXKFSA-N 487.674 1.679 30 10 JDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1722343174 DHAOPHIQOYHVIP-XMMPIXPASA-N 455.559 1.903 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1722359278 RJJVYUDFMJVZII-JLAWEPINSA-N 486.598 1.757 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1CCCN1CCC[C@H]1C(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722363501 GDDSLJKAQDZRIG-AQNXPRMDSA-N 478.663 1.361 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1oc(CCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1722370291 MYYIPAMEGXPXBX-UEXGIBASSA-N 491.614 1.926 30 10 JDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1722401142 MYYAJXYANBNFMT-QHCPKHFHSA-N 460.582 1.764 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1S(=O)(=O)N(C)C 1722466923 ILTKVAAJJDMOPT-HRAATJIYSA-N 494.643 1.179 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOCCC(C)C 1722475016 RLRBLWHRSJZKGA-WIYYLYMNSA-N 453.609 1.666 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722508246 RIHBVGZMUAFNMQ-DMUMMCEESA-N 480.635 1.318 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1722623531 HXMXESWWQNDSJJ-KRWDZBQOSA-N 476.603 1.455 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2csc(CC)n2)CC1 1722698393 YRHFJPNVSYCRTO-UHFFFAOYSA-N 454.604 1.927 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722703958 MHZGZWCLUVAVOP-XMMPIXPASA-N 480.573 1.214 30 10 JDEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2cccc(S(=O)(=O)NC)c2)CCOC1 1728760457 FXDYNNPIYNIAGN-IERDGZPVSA-N 462.576 1.482 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC(=O)NCC(F)(F)F)c1 1740564594 RQHIUBHCOYDFCY-UHFFFAOYSA-N 485.470 1.999 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740625694 PBCMEYMTPYFLJX-LJQANCHMSA-N 476.574 1.566 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)N1CCOCC1 1740652939 SHEGQKVTGYQPRA-UHFFFAOYSA-N 473.581 1.766 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)CCOC 1740657723 WTUZQPPKKNYYTB-FQEVSTJZSA-N 474.606 1.628 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc(C)s1 1740677841 SIXUFAIKVVOZMQ-ZDUSSCGKSA-N 463.564 1.875 30 10 JDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[C@H]2N2CCCS2(=O)=O)CC1 1740696444 UTJMEHZMXJBQRQ-VQTJNVASSA-N 462.664 1.826 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1740705063 BOVICYDGXDWUHH-NSHGMRRFSA-N 485.633 1.083 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(OC)c(OC)c2)CC1 1740708381 NNDGYQUIRAHBKV-UHFFFAOYSA-N 494.596 1.626 30 10 JDEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740748038 FKVSCLKWPGDLHK-AWEZNQCLSA-N 479.310 1.052 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740764315 DDYBJMSIYMWGAT-DEPCRRQNSA-N 483.635 1.501 30 10 JDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1740791511 JGAWKCJFFGBYBO-SFHVURJKSA-N 464.592 1.497 30 10 JDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1740800366 BWDMOPGRLIOFMA-UHFFFAOYSA-N 466.995 1.988 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1740847353 FWQYOQJZZGVISG-LJQANCHMSA-N 485.633 1.772 30 10 JDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740886838 UWAPKCHPVKYMPC-KRWDZBQOSA-N 459.576 1.699 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCOCC2CC2)CC1 1741056404 JUXZGORQGSCZQT-UHFFFAOYSA-N 451.575 1.844 30 10 JDEE CCS(=O)(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1747443910 FQMDKDCDQRSZLL-QGZVFWFLSA-N 494.021 1.573 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748815972 UZIUJMZSWDDZML-ZRNYENFQSA-N 490.674 1.612 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1748818426 BHZYATSUDYSIPH-XMSQKQJNSA-N 456.572 1.304 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1748964525 FEFWOCPFOAMCJP-UHFFFAOYSA-N 456.547 1.644 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC(F)(F)C2)CC1 1749015498 XOCPBIPXFMNRHL-WBVHZDCISA-N 469.558 1.581 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1749133476 MBFSJLQJLLUPHJ-VQIMIIECSA-N 450.565 1.462 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1749154113 MDPXKHKMBPCBMF-NRFANRHFSA-N 458.544 1.546 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1749193729 NPXXJEDZQPSLCR-JKSUJKDBSA-N 468.605 1.530 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCn2cc([C@@H]3CCOC3)cn2)CC1 1749328953 FCTCZEBGVNLLCH-FUHWJXTLSA-N 463.608 1.691 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)OC(C)(C)C 1749575813 XIXJZPRPGRRDPE-MRXNPFEDSA-N 470.596 1.314 30 10 JDEE C=CCn1c(N2CCN(CC(=O)NCc3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1749646830 ZLYDICPODBMSDF-DEOSSOPVSA-N 454.575 1.555 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1749664188 HUAYRAVFCHRNPU-UHFFFAOYSA-N 451.453 1.537 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C)CC1 1749736303 HUEBDWQMDNUQOH-UHFFFAOYSA-N 468.587 1.290 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)CC1 1749875964 HCJZUNXJQTXVKJ-UHFFFAOYSA-N 472.571 1.222 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCCS2)C1 1750209362 FQTLQMRLHUSJPP-IAGOWNOFSA-N 454.622 1.637 30 10 JDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1760135499 XTWILWLNZWNTCD-UHFFFAOYSA-N 483.598 1.467 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1760182942 NIPXEQBXKQSGTI-MRXNPFEDSA-N 460.585 1.471 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C)N1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1760183266 PSDQBONSQLEIEN-MOPGFXCFSA-N 450.653 1.228 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1760187583 WYRQCQSODLTASE-FPOVZHCZSA-N 459.591 1.977 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cc(F)ccc1OC)[C@H]1CCS(=O)(=O)C1 1760190557 XONLVLKQDHBHPG-KRWDZBQOSA-N 456.503 1.558 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@H]2CCCN2S(C)(=O)=O)n1 1760252430 NLMSCWWKSHSPFQ-LJQANCHMSA-N 477.635 1.482 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@]2(O)CCN(C)C2)CC1 1760255740 OQRVHFWQWXUULR-LJQANCHMSA-N 465.421 1.591 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2CCN(C(C)=O)CC2)CC1 1760269231 BWYBSNGWZAXKMI-NRFANRHFSA-N 456.591 1.396 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC(C)(C)N2CCOCC2)CC1 1760270643 UEAAAOUMLFQYLD-UHFFFAOYSA-N 494.640 1.954 30 10 JDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(F)F)CC1 1760279710 IQJGPCQFTULQMW-UHFFFAOYSA-N 483.614 1.992 30 10 JDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1760449551 NNMYOELISZXZQW-LJQANCHMSA-N 492.577 1.472 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccccc1F 1760522280 PVIVNXMDRGZQKF-MAUKXSAKSA-N 480.566 1.250 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](NC(C)=O)C1 1760558280 LBORFXLOKUDTIN-QGZVFWFLSA-N 465.551 1.702 30 10 JDEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760560688 BZULRSZLRAJABS-INIZCTEOSA-N 472.571 1.029 30 10 JDEE C[C@H](c1nccs1)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1761356252 CSHTULFWPKACBR-MRXNPFEDSA-N 486.627 1.706 30 10 JDEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCNC=O)cc1O 1862609226 HVPGZEHQJUBWNP-NRFANRHFSA-N 468.462 1.886 30 10 JDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCNC(C)=O)=C(N)Oc2c1c(CCC)nn2C 1864320720 YRHGBSJZHDSMRN-IBGZPJMESA-N 453.543 1.884 30 10 JDEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCC[C@@H](C)C2)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865737207 SYSUCTBOZJGPEC-QAPCUYQASA-N 466.538 1.602 30 10 JDEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(NC[C@@H](c3ccc(O)cc3)N(C)C)ncnc21 1875231450 NMXGWFKUCKUISO-QHCPKHFHSA-N 493.612 1.788 30 10 JDEE C#CCNC(=O)CS(=O)(=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019097875 PIIQLLQEKVQIFX-OAQYLSRUSA-N 484.530 1.533 30 10 JDEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CC[C@H]1NC(=O)OCc1ccccc1 2255605536 MKQHRIYWHZMGAT-SJORKVTESA-N 469.351 1.644 30 10 JDEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C1(O)CN(C(=O)OC(C)(C)C)C1 2255834477 NPRFHQRQXFNFSU-LBPRGKRZSA-N 453.370 1.542 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267470400 KAEBSOUTOCHVPO-DZGCQCFKSA-N 470.401 1.253 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)n1 2267471545 IHEWQBRKLPCDJU-FQEVSTJZSA-N 470.401 1.397 30 10 JDEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2267718630 WAPHWZDREVRGCV-AWEZNQCLSA-N 470.401 1.349 30 10 JDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCC2(O)CN(C(=O)OC(C)(C)C)C2)n1 2282039903 BIOSHVCSOVHLIT-UHFFFAOYSA-N 461.368 1.791 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2282174478 QJIMHRJIOJBHQM-WBVHZDCISA-N 461.368 1.729 30 10 JDEE CC[C@H]1[C@@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2282414169 PAYKSUNZLGNHTE-HOTGVXAUSA-N 484.428 1.786 30 10 JDEE Cc1nn(C)c(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282556248 FKVYRMASMFXZQD-STQMWFEESA-N 458.290 1.699 30 10 JDEE CCc1nn(C)c(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282558812 FEQQTLCRKSZJLB-CQSZACIVSA-N 466.388 1.239 30 10 JDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2282574677 RRTKYPXDBWVEEZ-JKSUJKDBSA-N 464.372 1.474 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(C)C)n1 2282613093 YASQTQMGMXKZCZ-CQSZACIVSA-N 463.388 1.880 30 10 JDEE CN(CCOCCN(C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2283058426 BENYAMDCZMJTRV-UHFFFAOYSA-N 464.372 1.731 30 10 JDEE CC(C)(C)OC(=O)N1[C@@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)COC1(C)C 2283059529 IPMZCRWSIBCJRY-AWEZNQCLSA-N 462.356 1.878 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2284058738 BCUSSNZWSYRNOM-QEJZJMRPSA-N 483.758 1.314 30 10 JDEE Cc1nc(S(=O)(=O)NC[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2287584923 NBGLTOVPGOWVLP-HUUCEWRRSA-N 484.428 1.609 30 10 JDEE COc1ccc(OC)c(C=C2Oc3cc(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)ccc3C2=O)c1 2297471905 QUXINANZYHDCAW-INIZCTEOSA-N 471.418 1.743 30 10 JDEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2344192475 AYLUHEOSKFAWFN-UHFFFAOYSA-N 471.747 1.221 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)[C@@H](C)C2)n1C 2362489941 NIVRWNXFQKPVSR-WCQYABFASA-N 458.290 1.557 30 10 JDEE CC1(C)OB(c2cnc(SCCCC3CCN(C(=O)[C@H](O)CO)CC3)nc2)OC1(C)C 204891564 LNPQJAVTLWKKAW-QGZVFWFLSA-N 451.398 1.240 30 10 JDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 729884019 FVIFGJCIZIDMFJ-XHPQRKPJSA-N 457.487 1.765 30 10 JDEE CCOC(=O)C1CCN(C(=O)CN(C)C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 1136551498 DZEBFXNQGUVHPF-UHFFFAOYSA-N 456.543 1.974 30 10 JDEE C#CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)C(=O)OC 1141995253 LPJBHBPFUPIMSK-SFHVURJKSA-N 458.492 1.943 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(C)cc2)CC1 1152967525 KKBQTVXBIVNSKE-SFHVURJKSA-N 450.561 1.173 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccccc1OCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1286386687 FYFWQZAXZFFIBS-HXUWFJFHSA-N 482.610 1.889 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1286388352 NSXCHWVWKFCHFF-GOSISDBHSA-N 484.969 1.767 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)Oc2ccccc2OC)CC1 1286490501 MHFZFSFSHQUOBE-HKUYNNGSSA-N 480.569 1.671 30 10 JDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1286514721 NOPDEUVLKFSQNA-OAQYLSRUSA-N 468.627 1.934 30 10 JDEE C=C(Br)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286543012 PQJNNIIZBACDDV-MRXNPFEDSA-N 489.374 1.530 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1286607142 BPMMECJDFRDJFZ-VQTJNVASSA-N 478.619 1.492 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(F)(F)F)CC1 1286711213 JCHFSLHEAUWYMZ-MRXNPFEDSA-N 481.541 1.982 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1286776160 GGOPDACAXRDWBM-QFBILLFUSA-N 463.560 1.463 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C(=O)NCCOC)CC1 1286783079 GEIXLGUQWJJRQQ-UHFFFAOYSA-N 477.569 1.775 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1286783992 SKEXNWJLBHYOIQ-UHFFFAOYSA-N 463.560 1.280 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1286793019 PALGXFDOHCHSPV-QHCPKHFHSA-N 469.521 1.784 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(=O)NC)C1 1286798235 DYLWBLVDEBBZOY-MBSDFSHPSA-N 473.599 1.756 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2nccs2)C1 1286820958 WMMCPFQZBGOQOR-CVEARBPZSA-N 453.590 1.807 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1286823151 KZVRMUXRLRSTOR-HKUYNNGSSA-N 470.555 1.044 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCOC[C@H](C2CCC2)C1 1286823410 NBAQNJXVDXJMIC-GOSISDBHSA-N 451.593 1.254 30 10 JDEE Cc1nc(N2CCOCC2)sc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCC(=O)N(C)C 1289158751 HJWQKTCBUORKBT-FQEVSTJZSA-N 462.555 1.467 30 10 JDEE CN(C)CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1298088189 DSOVDQHOPIKCJW-FQEVSTJZSA-N 472.615 1.909 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CC1(SC)CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 1300487386 ISWWTRHEPWVLSQ-SFHVURJKSA-N 476.672 1.738 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1300488879 HLSCCBDHVAKGQV-SJORKVTESA-N 466.535 1.574 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCN1CCN(C)C(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1300489036 ZHRIKEOJPQSMOV-IBGZPJMESA-N 488.633 1.737 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300501909 OKOOIMBLBDMWIV-IAGOWNOFSA-N 451.593 1.088 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OCCO)c(OC)c2)CC1 1300706848 SXZUAGAFUGBHQY-UHFFFAOYSA-N 479.585 1.323 30 10 JDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1301257679 CPRYBTXIXJCMLR-QGZVFWFLSA-N 482.632 1.651 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(-c2ccccc2)c1 1301298196 ZWEPIHHHJBGMIM-LJQANCHMSA-N 457.560 1.467 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1301491932 RQUKQEXPFSMHBW-UHFFFAOYSA-N 479.541 1.951 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCNC(=O)C2CC2)C1 1301557428 OXTGRPNPTHPVHM-RBUKOAKNSA-N 490.605 1.894 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1301567998 NEKBDIIOHBLJPJ-SJLPKXTDSA-N 453.609 1.803 30 10 JDEE COCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1315766031 ICTRBNPRVHTKKV-INIZCTEOSA-N 476.607 1.154 30 10 JDEE CN(C)c1cc(C#N)cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 1352617960 BCSSYIHDMPBRSN-UHFFFAOYSA-N 456.524 1.542 30 10 JDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CSc2nnnn2C2CCCC2)c1 1355984235 OHGHZMRBPWGIKL-UHFFFAOYSA-N 454.556 1.754 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCS(=O)(=O)CC 1358886035 WKZCHXOILVIWSM-MRXNPFEDSA-N 456.572 1.958 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358959197 DKNOTPSTVAZYSO-LJQANCHMSA-N 489.623 1.657 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnn(CCOC)c1 1358972151 VYNNHDJZDKVWMV-UHFFFAOYSA-N 452.540 1.313 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1358992227 FIVLGLNLEWTORL-SJORKVTESA-N 452.481 1.345 30 10 JDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1359280302 LVHWICSWDJNOFP-MJGOQNOKSA-N 461.592 1.578 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359292137 IQZFXUZITBAEKI-LSDHHAIUSA-N 451.524 1.483 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1359298583 FHMAKZFOMKQHKE-INIZCTEOSA-N 478.557 1.034 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1359303818 BTGUENJLNSWWPG-SFHVURJKSA-N 453.547 1.508 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2nncn2CC)C1 1359314488 BVIKCKKQAUXBJQ-GOSISDBHSA-N 486.602 1.636 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1359334206 XAHHAXMVPIUOLC-IBGZPJMESA-N 461.563 1.810 30 10 JDEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359339627 MHZGFFBIDAHNRX-UHFFFAOYSA-N 465.583 1.663 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1F 1471292270 YPNCEWBNCXNHJT-HZPDHXFCSA-N 457.524 1.390 30 10 JDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(OC)c(Br)cc1OC 1474862993 KGVXVKQCUPDZRX-NSHDSACASA-N 454.364 1.830 30 10 JDEE CCN1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 1502354138 AACSTCLIHFDLQH-RUZDIDTESA-N 464.618 1.807 30 10 JDEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCSCC2)CC1 1503900191 DWSZAZKNUFAKGL-UHFFFAOYSA-N 471.587 1.666 30 10 JDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2ccco2)CCN1S(C)(=O)=O 1505282291 CWUDOCANGMXUBH-AOMKIAJQSA-N 470.555 1.788 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1507626034 MNENXJAOCNIAIX-IMSXRSKXSA-N 471.627 1.513 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1507721100 YGPCEKJDLPAIHB-VWLOTQADSA-N 484.576 1.563 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)NCC)c1)C1CC1 1507994268 YSGLVUKHZRGDBT-HXUWFJFHSA-N 488.614 1.564 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)OC[C@H]2C1 1508087580 CTCVRMVGBJYWGP-IAGOWNOFSA-N 489.577 1.336 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1508095313 VXOPSTWXEHOCNX-XMMPIXPASA-N 465.558 1.953 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1508098668 QIGZVNMTGSJJCA-ARFHVFGLSA-N 476.534 1.766 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC(CC(=O)NC)CC1 1508143952 LOIKFLKAIHALIC-UHFFFAOYSA-N 463.579 1.961 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1508144175 CGKPONTWLSGNOJ-QZTJIDSGSA-N 494.639 1.784 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1508145605 NHUWEOAHVWXJSJ-LAUBAEHRSA-N 495.596 1.905 30 10 JDEE Cc1ccc(S(=O)(=O)NCCn2c(-c3cccnc3)nnc2N2CCO[C@@H](C#N)C2)s1 1511028989 FRRDKIRUAJMNRC-INIZCTEOSA-N 459.557 1.417 30 10 JDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(F)(F)C1 1519529427 BXBPPGZEXLBSNU-MRXNPFEDSA-N 466.514 1.998 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCC[C@H]1CO 1539016446 UULMHJOOBYCVDZ-BWAGFHJFSA-N 471.627 1.643 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(Br)C1 1539072498 RVWUTESMNRNSRT-INIZCTEOSA-N 472.409 1.903 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539101557 BDRYXZXSOMJGLE-LJQANCHMSA-N 484.582 1.529 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@@H]1C(C)C 1539417222 ZITGIQJNDSOQIF-HSALFYBXSA-N 483.635 1.148 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCS(=O)(=O)C2)n1 1539423714 DGUGTRKUPHDZOB-RTBURBONSA-N 476.603 1.090 30 10 JDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1539520352 QDDJKFUXLVYQPC-UHFFFAOYSA-N 467.643 1.765 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1539533444 QOEDBBDZAJUCTI-OXQOHEQNSA-N 454.497 1.769 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(C(=O)OC)CC1 1539557233 NNZBNSGVHHIGJK-XMSQKQJNSA-N 494.618 1.082 30 10 JDEE C=C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(=O)NCC(F)F)CC1 1539841886 CYFLIQGRPFRNSE-UHFFFAOYSA-N 453.519 1.776 30 10 JDEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539928771 IAAXHMKCHYMCQX-MRXNPFEDSA-N 456.522 1.746 30 10 JDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1541808677 HOHFGYBGIVGFPK-PBHICJAKSA-N 465.480 1.780 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H](C)N1CCOCC1 1541909333 BQAVPJFOGXLWLU-IRXDYDNUSA-N 461.592 1.117 30 10 JDEE C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NCCn2cc(C#N)c(O)nc2=O)cc1 1585292250 FXFLUERIYFACKN-HZPDHXFCSA-N 453.499 1.419 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1587861121 GWPJBVAYAPTEHV-GOSISDBHSA-N 495.005 1.753 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1588024925 QGMRTFIWDBMGTF-SFHVURJKSA-N 451.593 1.346 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1588034038 ALLYQBKUUDNRKH-OKXSDPAFSA-N 476.624 1.882 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1CCN(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1588050927 YCQAVPRXNCYARY-FQEVSTJZSA-N 459.620 1.427 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588053601 GEYQZOAHVTWURC-QUCCMNQESA-N 497.687 1.071 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1OC 1588627961 BITYGOCKQDFDQJ-NQIIRXRSSA-N 480.569 1.812 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(-n3ccnc3C)nc2)CC1 1588752115 PTWAJDZMJHFUCQ-IBGZPJMESA-N 464.574 1.695 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC(C)(C)O)CC1 1588961838 NVJOAUPLIIGIQH-UHFFFAOYSA-N 458.588 1.396 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC2(CC1)OCCO2 1589496138 WOWYVUOQWBYBFE-LNLFQRSKSA-N 483.635 1.991 30 10 JDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1593799717 BUOQVBOYFSRILM-UHFFFAOYSA-N 479.006 1.919 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(COC)CCOCC2)CC1 1594097292 PYWARWJASAIBGE-SFHVURJKSA-N 469.608 1.211 30 10 JDEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCCS1(=O)=O 1595205405 UURBSWJXKRFHPG-UHFFFAOYSA-N 483.598 1.889 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCn2nc(C)cc2C)C1 1595730271 VHPXOPPUYNUTRX-PMACEKPBSA-N 493.634 1.296 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1595785147 RLAOXKGQHNKBMV-KRWDZBQOSA-N 462.507 1.954 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCCC3(CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1595830615 DOLQWUAJIZWLRG-JOCHJYFZSA-N 468.620 1.928 30 10 JDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1595878718 QWXQKNWNYSNODL-IBGZPJMESA-N 464.636 1.072 30 10 JDEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)C1 1618595500 HMVRSCWXWJKEIT-JOCHJYFZSA-N 486.598 1.516 30 10 JDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C[C@@H](C)O1 1619753349 BQIAVZNIYXDRFD-OIESYPEGSA-N 459.572 1.880 30 10 JDEE C=C[C@@H](C)ONC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1628287562 YWEHABYKBADBBF-NOZJJQNGSA-N 457.858 1.894 30 10 JDEE CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n(C)c1 1632527201 ATOHOXAYUQDXPE-ZBFHGGJFSA-N 453.565 1.544 30 10 JDEE COC(=O)[C@@H]1CN(C)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)C1 1653917798 DLLORFMXDTYVEX-GOSISDBHSA-N 453.543 1.950 30 10 JDEE C#CC[C@H]1CCCN(C(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)C1 1679508614 QFQUBOYGYXDJDR-INIZCTEOSA-N 457.574 1.236 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CC2(O)CCS(=O)(=O)CC2)c1 1689870584 SSELWXABEUZHCJ-UHFFFAOYSA-N 494.577 1.336 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1689983426 BJMDTUFQNFMIOP-HXUWFJFHSA-N 462.535 1.895 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 1689989791 IWPMZIDTMLYVIC-WBVHZDCISA-N 484.550 1.133 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCC(OC)CC2)CCCC1 1689999857 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C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCNC(=O)c2ccccc2F)CC1 1359047171 UVRGAMORIVBUNN-UHFFFAOYSA-N 452.534 1.766 30 10 JDEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCNS(C)(=O)=O)CC1 1359158227 KEDSAUFQHOVIAR-UHFFFAOYSA-N 466.995 1.957 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1359228262 YHXRUIDYUOIECK-MSOLQXFVSA-N 451.593 1.364 30 10 JDEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCNS(=O)(=O)CC 1359239987 COLVYSNHAFEGBM-UHFFFAOYSA-N 456.613 1.954 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1359292655 VEEOZAMNKDAJEN-IBGZPJMESA-N 482.976 1.340 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC(=O)N(C)C[C@@H]1C 1359295017 MJWLFPHCCNUTMM-NSHDSACASA-N 453.366 1.738 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1359298645 HVHMCMGKLXHSKQ-INIZCTEOSA-N 478.557 1.034 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1359298968 QMPSWVNOBICLQU-GHTZIAJQSA-N 456.522 1.621 30 10 JDEE 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C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1539766977 HHFOZPZBVRZQDK-OALUTQOASA-N 464.613 1.907 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCNS(C)(=O)=O 1540119612 GNFSZKLWCITJIH-UHFFFAOYSA-N 457.560 1.128 30 10 JDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1540164695 UFNMQRDFPBMYBO-KRWDZBQOSA-N 483.598 1.652 30 10 JDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1540858131 IBEMTAZVPHRBQQ-HNNXBMFYSA-N 468.027 1.638 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1540868205 WDRJGYAXGNNTGZ-UHFFFAOYSA-N 453.547 1.130 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1540871185 GDDDYDZXYRGOKD-USXIJHARSA-N 465.601 1.510 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(C)(OC)C1 1540897301 GJZYSEZBFTUGJS-UHFFFAOYSA-N 467.979 1.687 30 10 JDEE CCN1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOC[C@@H]2C)CC1 1547704178 GOTMFXHEFASMIY-PMACEKPBSA-N 453.591 1.980 30 10 JDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1sc(C(=O)OC)cc1Br 1561155250 YGPBSRCXPTYPSK-VIFPVBQESA-N 458.377 1.661 30 10 JDEE C=C[C@@H](C)NC(=O)[C@H](CCSC)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1566390756 OJXFNUIWFLDADM-QAPCUYQASA-N 455.602 1.250 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1588041741 ZJLJABBEIANPHV-QFIPXVFZSA-N 480.594 1.702 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)O 1588550608 VRWLVJCIZDHUBO-SFHVURJKSA-N 465.551 1.161 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(OC)c2)CC1 1588891339 NTPYHUDAXQSZKM-VWLOTQADSA-N 467.570 1.953 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1588908879 XYMOFIMQOIVHAD-FLFQWRMESA-N 473.537 1.437 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCCNC2=O)CC1 1589482772 LCOCIOLZNHFOKF-PKOBYXMFSA-N 459.595 1.782 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1595496866 JFHOLABUWJEOLF-FQEVSTJZSA-N 483.617 1.481 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](Cn4cccn4)C3)n2CC(=O)NCC(F)(F)F)c1 1620349111 FTTRTRJLFMXDSV-QGZVFWFLSA-N 474.447 1.597 30 10 JDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H](c2cnn(C)c2)C2(CCOCC2)C1 1627978175 BSTGDEVUTQTVJI-JXFKEZNVSA-N 457.556 1.381 30 10 JDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2F)CC1 1635342101 ATRGQCPDBOBCQH-OAHLLOKOSA-N 457.549 1.531 30 10 JDEE COC(=O)[C@@H](NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1ccc(Br)cc1 1653761524 CIRXRPCULSFYFV-HKUYNNGSSA-N 451.365 1.945 30 10 JDEE C=CCC[C@@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 1656377398 SNGPDNZAAGYYRY-GOSISDBHSA-N 451.589 1.967 30 10 JDEE C#CCN(C(=O)NCc1ccc(-c2ccc(OCC(N)=O)cc2)cc1)[C@H]1CCS(=O)(=O)C1 1684253108 XSUTWXJEOMBNGL-FQEVSTJZSA-N 455.536 1.550 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1689986381 OIEOJWLGXPZXMF-MRXNPFEDSA-N 490.387 1.626 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689990434 OHXMARWGNIAVNY-OALUTQOASA-N 492.623 1.273 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689996814 OTQLRHFIPPHGCY-OAQYLSRUSA-N 484.626 1.159 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc2cc(OC)ccc2n1C 1690020029 XISTUJLTBSFILZ-INIZCTEOSA-N 452.540 1.197 30 10 JDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(C)(C)N2CCOCC2)CC1 1690130611 JHFOCJGIAGWAAY-UHFFFAOYSA-N 466.630 1.938 30 10 JDEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690230238 VZZRWDOYGWLHOK-QGZVFWFLSA-N 474.363 1.939 30 10 JDEE C=CCCOCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCNC(=O)C1 1690507074 CGHYTYXFDOSQPW-UHFFFAOYSA-N 451.531 1.594 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC(CC(=O)N3CCN(CC)CC3)CC2)nnc1C(C)(C)C 1690731191 CDAHKKYPZMDNQV-UHFFFAOYSA-N 494.706 1.947 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CCCC3CCOCC3)CC2)c1C#N 1693405549 AXYSCHSIYBQUCN-UHFFFAOYSA-N 483.621 1.863 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1698487241 FNLPBKUAAQEQOK-PXNSSMCTSA-N 499.515 1.914 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1705525102 YQOMNBOVQAFJRH-JKSUJKDBSA-N 470.596 1.032 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cc(C)no1 1705623473 SPJNGKHAIWWPFJ-UHFFFAOYSA-N 458.544 1.626 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)ccc1OC 1705628526 JXKOFTCIMMANSU-HNNXBMFYSA-N 452.964 1.977 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccs2)CC1 1705653377 GMHQJTIASUVTBT-INIZCTEOSA-N 468.674 1.638 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1705655590 NMFMHBHIRHLLCI-IBGZPJMESA-N 490.655 1.667 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCS1 1705674369 HKVNYIZZQIKXMZ-MBOZVWFJSA-N 453.634 1.889 30 10 JDEE C=C(Br)Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705692572 NHWKAMCSCKLCNB-FQEVSTJZSA-N 485.427 1.438 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1705730959 PTKIILHIXKQTPG-ROUUACIJSA-N 451.597 1.827 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1705901783 WNHLICILLJURBS-CQSZACIVSA-N 490.490 1.969 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1705902361 CUKVRQBHCPDTNV-HIFRSBDPSA-N 453.515 1.958 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(c2nc(C)ns2)CC1 1705903921 ZNNJJNJSILAEKO-UHFFFAOYSA-N 463.571 1.996 30 10 JDEE CCOC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1710384307 BQHUWZSYKFBWAA-KRWDZBQOSA-N 467.578 1.706 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1722358922 GSQVORXEOQTZFW-REWPJTCUSA-N 458.584 1.940 30 10 JDEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCN(C)CCOC)[C@H]1CCS(=O)(=O)C1 1722359489 NHPIDPQLJGROCT-IBGZPJMESA-N 471.583 1.896 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1722361809 PQJARNHURXECFL-NRFANRHFSA-N 464.551 1.974 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(CN(C)CC)c1)[C@H]1CCS(=O)(=O)C1 1722362303 SOCWLIDZVCPUOH-NRFANRHFSA-N 479.610 1.862 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722364891 MTQILUKKGDRLIH-NZQKXSOJSA-N 479.647 1.431 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@](C)(O)c2ccco2)CC1 1722443287 GCMLTVFEKBBKJZ-ZEQRLZLVSA-N 471.558 1.397 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccs2)CC1 1722460650 YWHGZJKDTSAHBV-KRWDZBQOSA-N 465.670 1.930 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CCCO2)CC1 1722462953 ZLLNMWGKKUHAOP-RTBURBONSA-N 483.660 1.373 30 10 JDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722621108 UQVDXMJFFDKJLY-UHFFFAOYSA-N 484.561 1.092 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1722688611 HFVKJLPJQWWLRA-HNNXBMFYSA-N 461.364 1.972 30 10 JDEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1722819142 AIKTUYAFIDDXIR-SFHVURJKSA-N 472.571 1.411 30 10 JDEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1723724147 CQWHCHNVPFKMCA-UHFFFAOYSA-N 481.601 1.898 30 10 JDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1729203206 BPQKWEKEJQCEPI-UHFFFAOYSA-N 454.560 1.312 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)C(C)C)c1 1740563579 VHEXMRKHPZBRDK-SFHVURJKSA-N 451.531 1.058 30 10 JDEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CCOC)C(=O)C1 1740567348 JWVUHQCZKISRCD-UHFFFAOYSA-N 487.630 1.645 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1740615690 JAVRWMRDGPIXFF-HTAPYJJXSA-N 463.604 1.082 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1740616258 XBQDGWZUFUTFHM-FQEVSTJZSA-N 472.615 1.570 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1C[C@H]1CC(=O)N(CCOC)C1)[C@H]1CCS(=O)(=O)C1 1740622801 IRLYUQAKQZWTNB-HKUYNNGSSA-N 463.604 1.057 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCS(=O)(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740625976 JKLLBKCRLHIQPK-SJORKVTESA-N 472.633 1.360 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1740626912 CYOJCAZYKKWFSP-ROUUACIJSA-N 483.635 1.991 30 10 JDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1S(=O)(=O)N(C)C 1740658930 RNVVPMDTFBGTTO-UHFFFAOYSA-N 479.610 1.901 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(=O)NCC(F)(F)F)CC1 1740692049 GEXXPMASULRQJS-UHFFFAOYSA-N 466.464 1.396 30 10 JDEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1740700203 JYJDAEXSXOTSOF-UHFFFAOYSA-N 481.670 1.798 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)CC)C1 1740751683 NPEXUOBCYBTNSJ-MTNOOBJLSA-N 468.624 1.365 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nncn1C 1740914910 NHASBZYIQCFVCF-OAHLLOKOSA-N 455.548 1.129 30 10 JDEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)C1 1741082791 BSTPWNZCDDRUDI-OAQYLSRUSA-N 481.601 1.944 30 10 JDEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1741097568 FZAIRBSOKKSDCY-IBGZPJMESA-N 486.598 1.658 30 10 JDEE CC(C)N1CCC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)C1 1741624355 AIANYWJZILTCJA-WAOWUJCRSA-N 483.614 1.173 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1748819003 IJPSROGMYNSVDW-HXUWFJFHSA-N 453.572 1.257 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1749109023 APWGWVQHPAXDMW-OAHLLOKOSA-N 487.424 1.313 30 10 JDEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1749187492 NNNZSSAWAIOCPG-UHFFFAOYSA-N 457.560 1.333 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnnn1C 1749531057 FTKXIXIGGYHKGF-OAHLLOKOSA-N 455.548 1.129 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1749629730 AZZARLMZSWAZKA-GOSISDBHSA-N 480.566 1.271 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1749660885 VHCIERYIAUPQBI-QGZVFWFLSA-N 477.587 1.668 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1749671488 CGUXQSUBUOIKDX-UHFFFAOYSA-N 487.555 1.194 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](c2ccnn2C)C1 1749737905 AMNVUMBRXUFUCN-LJQANCHMSA-N 472.619 1.858 30 10 JDEE CC(=O)N1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1749846521 PNNVSKRFSQRYPZ-CQLPTELBSA-N 497.531 1.752 30 10 JDEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H](N2CCOCC2)C(F)(F)F)CCO1 1750387795 BJUFQAOCRPCAQP-SJORKVTESA-N 451.453 1.256 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC(OCC)C1 1760115610 AOUAIDDINLMORL-ZRSCRABMSA-N 463.579 1.974 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1760184663 YFWVFEYSWCWYRT-CQSZACIVSA-N 463.976 1.828 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1760206139 RKVWVIBJMVACJB-KRWDZBQOSA-N 461.588 1.653 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1c(C)nn(C)c1C 1760247881 UGOWJKNYOKEEJV-UHFFFAOYSA-N 460.542 1.677 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CSCCS2)CC1 1760256556 IDLZRYFPMPVGSN-RXVVDRJESA-N 451.662 1.923 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(O)(CC)CC)CC1 1760266514 BMGCRERDZXWHKN-UHFFFAOYSA-N 487.626 1.866 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1760274505 KMYGLHOWYBGKOB-MRXNPFEDSA-N 494.643 1.427 30 10 JDEE C#CCSCCn1c(N2CCN(C3CCOCC3)C[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1760286145 CXDUUJGQVWMBFA-CVDCTZTESA-N 463.648 1.986 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)Br 1760294954 KCRYXZCCXRVFOI-SWLSCSKDSA-N 482.351 1.591 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1 1760294976 KKNBLQSTCQXANM-SIKLNZKXSA-N 461.563 1.985 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCCCO1 1760295024 LQILYPGMPREJFI-LVCYWYKZSA-N 451.593 1.562 30 10 JDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760509673 ZJSQWAGIYAAFID-UHFFFAOYSA-N 457.560 1.238 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1760552077 BBRFSHXWWPCCKN-UHFFFAOYSA-N 470.621 1.124 30 10 JDEE 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1286699477 DKZIFHKFDSCROA-OALUTQOASA-N 464.636 1.279 30 10 JDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1286785236 BZPGEYWMOYQPTH-UHFFFAOYSA-N 457.623 1.761 30 10 JDEE C=CCNC(=O)Cn1c(N(C)Cc2nc(O)c3sccc3n2)nnc1[C@]1(OCC)CCOC1 1286792825 JLDFZPLLTVCBQA-NRFANRHFSA-N 473.559 1.579 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCSCC2)cc1 1286797589 XKGWEOOVCOTFEE-IBGZPJMESA-N 479.628 1.777 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1286814240 OBOQWZRWONCWHZ-QFIPXVFZSA-N 477.562 1.352 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1300363872 HNPNIEWBBOZWAJ-MOPGFXCFSA-N 462.620 1.566 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300482241 DSSHDDRIZHSGFU-YLJYHZDGSA-N 472.571 1.964 30 10 JDEE C#CCN(c1nnc(COCC)n1CCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300503602 FCEOGAOVUXAFKM-INIZCTEOSA-N 455.581 1.308 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(n1)CCCC2 1300578550 MENMKPWPLYMKFG-QFIPXVFZSA-N 482.610 1.396 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1300712143 NFNQGCJPDULUQH-CMKODMSKSA-N 494.662 1.449 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCCCS2(=O)=O)CC1 1300726554 NXTOPTYSUJBCGV-NRFANRHFSA-N 499.637 1.811 30 10 JDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300763772 SFKCLOJWWAAADE-OAQYLSRUSA-N 484.626 1.804 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC1CCOCC1 1300806639 ZXNWVWQUBVQFEA-DENIHFKCSA-N 481.619 1.189 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C(=O)NC 1301151251 KJXTYXPNOWLDJW-JKSUJKDBSA-N 456.613 1.032 30 10 JDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)c1cc[nH]n1 1301271282 QTBJNIUGHIRMKO-UHFFFAOYSA-N 457.564 1.322 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1COCCO1 1301341537 SFCOCSARLPTUOZ-QFBILLFUSA-N 460.560 1.368 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@](C)(C#N)C1 1301481892 QMTNMXSCJBPALB-QFIPXVFZSA-N 470.603 1.979 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)N2CCCCC2)C1 1301539057 NIDGWCYFCQNSPJ-DLBZAZTESA-N 454.597 1.072 30 10 JDEE CC(C)C1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3ccc(C#N)cn3)CC2)CC1 1303861612 GZBFTHYTKKJAFL-QGZVFWFLSA-N 472.619 1.918 30 10 JDEE COCCN(CCC#N)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(C)(=O)=O 1316101023 FSRYLRIUHDMFNT-UHFFFAOYSA-N 484.623 1.804 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCN(CC)CC1 1358877005 VKULAWPIEXDLNI-HXUWFJFHSA-N 487.674 1.681 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1358902179 GWCRYGSBLMPOKZ-PKOBYXMFSA-N 484.582 1.110 30 10 JDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1CCN(C(=O)OC)CC1)[C@H]1CCS(=O)(=O)C1 1358956116 ANNQWCBYPRWWQC-MJGOQNOKSA-N 497.618 1.107 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCNC(=O)c1ccc(C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1358960914 OBWOUBHQCLYBSI-IBGZPJMESA-N 496.568 1.844 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1358962677 USMAHQITDQZFPT-OTWHNJEPSA-N 462.620 1.120 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1358967280 HGUMBNNCICGQMJ-QPHCHLROSA-N 478.640 1.869 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1359002629 HGVAMJVAQHGLCA-XDOYNYLZSA-N 497.581 1.181 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1359024002 CMGPZALAHHNEEK-UFYCRDLUSA-N 459.570 1.604 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2c(C)noc2C)CC1 1359040892 IVZQMTMXQXPTLP-GDBMZVCRSA-N 491.618 1.263 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359215484 CIKJVPCTVINTRQ-GOSISDBHSA-N 473.559 1.112 30 10 JDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1359226528 HNBXRDMQQKCHAP-PMACEKPBSA-N 483.635 1.396 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nc3ccccc3[nH]2)CC1 1359292841 YZGXTBQMLRLGAD-HNNXBMFYSA-N 486.602 1.451 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCNC2=O)CC1 1359336766 BBVYWHOKAAOMRB-OAHLLOKOSA-N 471.653 1.192 30 10 JDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 1443914512 GPNPOFYJNVFLGV-AWEZNQCLSA-N 455.499 1.971 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Cl)c(Br)cc2OC)CC1 1455115840 SNYVINBVZSABMC-UHFFFAOYSA-N 450.742 1.337 30 10 JDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(=O)OC)CC1 1507578855 DCSQPWKHDOAGDA-UHFFFAOYSA-N 459.576 1.848 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1507588026 DUZMMSOJUGVDLK-UXHICEINSA-N 490.634 1.149 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507629669 VZOLOUATLJBBSZ-JTUHZDRVSA-N 490.582 1.129 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1507639010 IRBRZGFJOPJBNO-ROUUACIJSA-N 460.556 1.671 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@H]2CCC[C@@H](O)C2)n1 1507715648 AUMLWZVWNLAVEI-AZUAARDMSA-N 450.547 1.769 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](CC)N2CCCC2)CC1 1507737580 AGVHSVMGVHNRIE-WOJBJXKFSA-N 476.647 1.020 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)N2CCN(c3ccccc3)CC2)CC1 1507882761 WDNAXWWQCCDSLN-IBGZPJMESA-N 487.630 1.394 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1507958084 ZOPYWCXKDUZSCF-UHFFFAOYSA-N 473.622 1.241 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCO[C@@H]1C 1508007778 IAWOJSXFNNNGFR-JXXFODFXSA-N 452.602 1.974 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1508075076 SPAMPDQENKYVFC-HNNXBMFYSA-N 478.395 1.496 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1508093716 VOBZMENRRXWMIV-KRWDZBQOSA-N 459.595 1.685 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1508097891 LZDSGAHHCXYOAT-UYAOXDASSA-N 496.678 1.797 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1508139723 JAVGPIOAYMPKQT-UHFFFAOYSA-N 471.587 1.971 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1508143002 IKJCDWBBUDAQJI-IBGZPJMESA-N 485.676 1.616 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1508143448 ZBUNIORXNYBDDI-UTKZUKDTSA-N 463.535 1.067 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1539094142 LVXXKRDIAJIVGT-GOSISDBHSA-N 494.643 1.203 30 10 JDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1539116457 OGJUEJCOPLMCSJ-UHFFFAOYSA-N 469.590 1.800 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(S(C)(=O)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1539204424 ADUHOWLQVMQXQA-SFHVURJKSA-N 492.623 1.548 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(F)ccc2SC)CC1 1539429857 FBSLWKCDWAHEFD-OAHLLOKOSA-N 466.608 1.553 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2C[C@H](F)COC)CC1 1539445877 JITRPNWYCKOXJS-SFHVURJKSA-N 467.549 1.976 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ncnn2C(C)(C)C)CC1 1539459882 QYFJBMSGIQYGCL-UHFFFAOYSA-N 467.603 1.420 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2cccc(C(N)=O)c2)CC1 1539468316 DHQBALQYMMISNS-AREMUKBSSA-N 494.596 1.238 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCNC(=O)C(C)C)CC1 1539489322 UTAUDZPCRHTREF-UHFFFAOYSA-N 485.614 1.008 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)c1nccs1 1539517095 IKPOLEAAKQRUTC-JKSUJKDBSA-N 484.673 1.674 30 10 JDEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1540855046 VQKMDMKVTIKZDT-SFHVURJKSA-N 464.548 1.916 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(O)(C(F)(F)F)CC1 1540870315 JZYYUEQBSSHDOE-UHFFFAOYSA-N 494.522 1.648 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1540870381 LWTHAGKQHLDUQA-SFHVURJKSA-N 456.547 1.647 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1540903521 FUORPYVSRGRSQC-HNNXBMFYSA-N 488.582 1.761 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(CN3CCS(=O)CC3)cc2)cc1 1557124201 MMZKJEUJUXGGKP-UHFFFAOYSA-N 459.593 1.092 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(CC(=O)N(CC)CC)CC2)cc1 1562197906 WWAZQEIBSDDTRZ-UHFFFAOYSA-N 451.593 1.511 30 10 JDEE C#C[C@H](CC)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1568621111 DVIGRAYXVGIUJM-QMTHXVAHSA-N 453.870 1.799 30 10 JDEE C#CC[C@@H](COC)NC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 1586386454 OWCQBADPFGBISS-UONOGXRCSA-N 459.362 1.675 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1587861125 GWPJBVAYAPTEHV-SFHVURJKSA-N 495.005 1.753 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CCS(=O)(=O)N(C)C 1588093155 CYRJRMKOZJJILK-UHFFFAOYSA-N 450.362 1.672 30 10 JDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H](C(F)F)N1CCOCC1 1588292918 GXIRNHHQQUQVHN-IBGZPJMESA-N 471.516 1.736 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1588769329 RKIITBWEEZWWDL-GOSISDBHSA-N 452.481 1.865 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1588968361 JVEZYPPKGTTYMP-UHFFFAOYSA-N 499.616 1.780 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1589068459 BZDBFCFHIGXGSA-DLBZAZTESA-N 499.659 1.576 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1589109554 FMCFXBFCMLIYHK-HZPDHXFCSA-N 458.613 1.883 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1593696570 SSFQMLCASKGMJM-KRWDZBQOSA-N 494.593 1.583 30 10 JDEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1595366675 JNYCBGRYDAPUSZ-UHFFFAOYSA-N 456.547 1.712 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1595501383 RSTMAJVLZXJARF-GOSISDBHSA-N 471.949 1.667 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1c[nH]c2cc(F)ccc12 1611710927 HLLSGMIPKUTIKE-CZUORRHYSA-N 461.523 1.480 30 10 JDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC[S@@](=O)C(C)(C)C 1614078923 AMFGAHLDLNZQHY-ZUQCGGBESA-N 458.588 1.991 30 10 JDEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)C(=O)OC(C)(C)C 1618264256 DVLAEOXOAMOFLM-UHFFFAOYSA-N 489.602 1.765 30 10 JDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCNC(=O)OCc2ccccc2)[C@H](C#N)C1 1660692741 FCGWAVKMTOUKRV-QGZVFWFLSA-N 452.533 1.687 30 10 JDEE CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cn1 1668971639 FGHQIOQIHAUNBN-QGZVFWFLSA-N 454.961 1.710 30 10 JDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1689966072 KMMXHYIGSKOANZ-LEWJYISDSA-N 457.600 1.541 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1689988725 VDCLLLPJCOHYQO-KRWDZBQOSA-N 483.598 1.561 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1690110675 VZAHIFIXTFBTJN-WOJBJXKFSA-N 450.591 1.801 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC2(S(C)(=O)=O)CCC2)CC1 1690133580 MAMVXECTALGXQJ-UHFFFAOYSA-N 461.563 1.719 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCC(F)(F)CC2)CC1 1690136670 ICFYWXLFJIEOLY-HNNXBMFYSA-N 486.589 1.680 30 10 JDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690220102 RPKVSRHCTCBMIG-UONOGXRCSA-N 451.387 1.924 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCCOC2)C1 1690236288 KZGMUMJMXWXVSI-NYUBLWNDSA-N 453.609 1.876 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)Cc1ccccc1 1690527060 IOLLOFKJEOZSSJ-QUCCMNQESA-N 462.620 1.754 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCOCC1 1690571644 FDEJWHGYVCECSX-LJQANCHMSA-N 491.589 1.761 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS(=O)CC1 1690670536 DPEHLNYVKHMJSF-INIZCTEOSA-N 466.608 1.264 30 10 JDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCN(C)S(=O)(=O)CC)CCOC1 1696044614 AWFOQOYIGZUEGV-HXUWFJFHSA-N 454.597 1.342 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1705562601 GJVOCSDBUIORSQ-GOSISDBHSA-N 454.556 1.671 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1705566540 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C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(F)cccc1F 1722413988 USVBBZZAKIQHSJ-SFHVURJKSA-N 453.515 1.591 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC(=O)NC(C)C)CC1 1722429677 PYTZFEAXQYDFHF-UHFFFAOYSA-N 451.575 1.817 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1722441025 FRKKNYVPOWCBRA-DEOSSOPVSA-N 482.629 1.978 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)c2ccco2)CC1 1722448450 UTEHBOJIYMJEIC-SFHVURJKSA-N 454.531 1.161 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1722495567 XSFOFNTWHRNVMA-TZIWHRDSSA-N 475.638 1.388 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1722685403 GWPGGAPEIOJWIT-INIZCTEOSA-N 470.596 1.291 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 1722686164 SHZQNAFAXWALAT-INIZCTEOSA-N 455.581 1.786 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1722693469 PEBSEEXXDQVCLH-PMACEKPBSA-N 457.531 1.649 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCn3nc(C)nc3C2)cc1 1722702938 RLMYTWYOEKOFDP-HNNXBMFYSA-N 472.575 1.422 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OC(C)(C)C)C1 1722723802 FTYJBMWATFYVGO-HOTGVXAUSA-N 477.653 1.273 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1722729747 WBBJQMKMTUUWGW-NRFANRHFSA-N 450.536 1.605 30 10 JDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1722743160 SKNAKUYDYYACQV-UHFFFAOYSA-N 489.690 1.844 30 10 JDEE Cc1cnn(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)c1 1724966334 GHCGMQYNJBLBMZ-UHFFFAOYSA-N 468.587 1.882 30 10 JDEE CCOc1ncccc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1728907218 HCZDZTWHWSTMDO-SFHVURJKSA-N 468.539 1.919 30 10 JDEE COC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CC1 1729783714 DIUVUHPMAQFJHX-UHFFFAOYSA-N 458.544 1.530 30 10 JDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCC[C@H]2C(=O)N(C)C)c1 1730232198 FETYEVZPOOYKDH-RTWAWAEBSA-N 467.574 1.625 30 10 JDEE 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30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1740959332 SCKMNAGGBLSCEF-MRXNPFEDSA-N 478.557 1.589 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(Cn3ccc4ccccc43)n2CCS(=O)(=O)N(C)C)C1 1740984216 YCZDGXIJAJMMJV-IBGZPJMESA-N 458.588 1.954 30 10 JDEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1741150731 GWJJPIQADLDVSU-UHFFFAOYSA-N 478.601 1.380 30 10 JDEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1741280990 FYPCZIDCWDGPQN-HXUWFJFHSA-N 479.585 1.664 30 10 JDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1747617598 HVDXPPDLWBXLSW-GHTZIAJQSA-N 460.629 1.877 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCN1S(C)(=O)=O 1748646949 FWZXUSNXNUOVAT-NVXWUHKLSA-N 493.659 1.429 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1748751979 PGNDAYDGBNLTSY-ZVDOUQERSA-N 463.648 1.919 30 10 JDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)NCC)CC1 1748752283 UNRISACNCQDSCO-UHFFFAOYSA-N 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457.289 1.991 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nccs2)c1 1286312392 XKSUKWJUCAALHG-INIZCTEOSA-N 470.580 1.741 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1286348890 ATLIEJHZFYUYSU-SIKLNZKXSA-N 477.562 1.261 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1286469163 AYSGNZDDTLXGHG-XIFFEERXSA-N 470.643 1.879 30 10 JDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N(CCO)CCOCC(F)(F)F 1286530636 PZPWTJZNVMSSLU-UHFFFAOYSA-N 470.290 1.800 30 10 JDEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286541354 ZZZDFRIPFKEOPL-CQSZACIVSA-N 463.311 1.064 30 10 JDEE C=C(Cl)Cn1c(N2CCC(CNS(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286634998 HFXYSMJKUZRPHU-LJQANCHMSA-N 462.016 1.837 30 10 JDEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286689686 ZCUGAGOWHDJMRI-UHFFFAOYSA-N 451.575 1.891 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@](C)(c2ccccc2)C1 1286813887 FEORSOWYFBMMNJ-QFIPXVFZSA-N 461.588 1.769 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1286833327 ZMAOEPQHLBLHND-OAHLLOKOSA-N 495.593 1.994 30 10 JDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1288232363 APSSVOWNJWCSLI-QHCPKHFHSA-N 494.644 1.573 30 10 JDEE CCCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)NC(C)C)c2ccccc2c1=O 1294770502 GEKDNJVZCXQFBW-KRWDZBQOSA-N 478.557 1.708 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)N1CCOCC1 1300466326 WBOSQRWVZQVZOR-SFHVURJKSA-N 462.595 1.767 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1cc2ccccc2[nH]1)[C@H]1CCS(=O)(=O)C1 1300479064 HRESJUFOHBEDHN-IBGZPJMESA-N 468.583 1.767 30 10 JDEE C#CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1300495853 KCLXIRMLSUEQJX-MLHJIOFPSA-N 497.593 1.744 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1300498787 NAZOQKFNVNFITM-MOPGFXCFSA-N 464.975 1.564 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCN(C)C1 1300676370 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C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCN(C)C(=O)OC(C)(C)C 1510184794 AIDUHZGXBSATJW-HNNXBMFYSA-N 469.612 1.885 30 10 JDEE COC1(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)CCC1 1517917562 CGKWZUBZBNWMQY-UHFFFAOYSA-N 451.575 1.986 30 10 JDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1539116355 MXMVARBPGPEAQJ-UHFFFAOYSA-N 497.625 1.949 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539226204 UXPMGJQKYWYFFT-QGZVFWFLSA-N 451.593 1.724 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCOCC1 1539257362 IJFZYRSFYUAMNS-UHFFFAOYSA-N 455.588 1.033 30 10 JDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1S(=O)(=O)N(C)C 1539273490 UUFVLYVABZXDBP-UHFFFAOYSA-N 496.618 1.641 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)C 1539393030 ZNYWRWBNJTZWGC-YLJYHZDGSA-N 478.594 1.340 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1539421777 XXGZEJWRVCTUTF-UYAOXDASSA-N 492.671 1.924 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N2CCSCC2)CCCC1 1540070952 BPDUNZYXOFHORU-SFHVURJKSA-N 484.692 1.595 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1540875658 TWSBJLPGYAWMKE-OALUTQOASA-N 470.574 1.325 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](COC)C1 1540899181 GGGLSPZTKHOJGE-KRWDZBQOSA-N 451.505 1.306 30 10 JDEE C=CCSCCn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1540916159 SQAGYFDANQSTIF-UHFFFAOYSA-N 462.620 1.362 30 10 JDEE COCCNC(=O)[C@H]1CN(C(=O)c2cnccn2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367670 DOWIPCRVILHNFJ-GOSISDBHSA-N 462.432 1.461 30 10 JDEE COc1cccc([C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)N(C)C)c1 1554992213 GITWXRBFNXZQMC-OXJNMPFZSA-N 475.619 1.940 30 10 JDEE COCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1555220335 AECPRIAQPXGGIC-KRWDZBQOSA-N 454.597 1.414 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N2CCOCC2)CCCCC1 1587641087 XFVKEHPSRQAGGH-WOJBJXKFSA-N 494.662 1.104 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588035469 UIIYNONCOZIWHP-GOSISDBHSA-N 483.598 1.975 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1588058717 BBJNFPYMNNGVEF-OAHLLOKOSA-N 461.498 1.066 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](CCC)OC)CC1 1588763035 QNSVQGJWBCNDJV-FQEVSTJZSA-N 474.631 1.766 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCN(C)CC(F)(F)F)CC1 1588930411 VPLYRWDNUPFEQR-QGZVFWFLSA-N 456.513 1.980 30 10 JDEE C=C(Br)Cn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1589421650 UGMXRCCHBMPCPQ-MRXNPFEDSA-N 459.348 1.233 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1589663551 OKBJSJWXUZFVBW-FHWLQOOXSA-N 479.626 1.929 30 10 JDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)NC(C)C)CC1 1593722197 LOYWCJIMRXVNMM-UHFFFAOYSA-N 484.601 1.956 30 10 JDEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1595323960 IGSZWUWBYQZYGG-UHFFFAOYSA-N 459.348 1.821 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1595529628 BMZAXUGCRMDSHF-GOSISDBHSA-N 462.558 1.627 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCNC(=O)CC1 1595765550 CBGQJJCOZSZITO-UHFFFAOYSA-N 498.403 1.643 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C2CC2)C(=O)C1 1595766270 NERTXQHHOOIOJZ-UHFFFAOYSA-N 475.571 1.374 30 10 JDEE CC(C)(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CC1 1596911269 BPSXJOVXDQAICK-UHFFFAOYSA-N 485.614 1.547 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc2c(c1)OCCO2 1611684168 HROPRKCPTCATJE-OAHLLOKOSA-N 460.560 1.838 30 10 JDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN(C)C(=O)OC(C)(C)C 1614023713 HILBPUFINCUWMN-UHFFFAOYSA-N 457.583 1.948 30 10 JDEE CO[C@@](C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)C1CC1 1618922039 FMVLYCWKAAIBHA-NQIIRXRSSA-N 466.608 1.556 30 10 JDEE CCCS(=O)(=O)NC1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 1653574743 BBRHDZOWKLHWKB-UHFFFAOYSA-N 450.380 1.803 30 10 JDEE CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H](S(=O)(=O)N(C)CCOC)C2)c1 1677671143 HSFUDSKCUBAFCC-AZUAARDMSA-N 452.577 1.950 30 10 JDEE C#CCN(C(=O)NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)[C@H]1CCS(=O)(=O)C1 1682490013 MFEYXRQZVZFVID-AVRDEDQJSA-N 458.540 1.243 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1689977990 JHYJTBVHMUUZOO-GPJFCIFZSA-N 477.631 1.736 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1689983694 FKGYOMWEQLMTGF-PKOBYXMFSA-N 492.623 1.405 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccccc1COC)[C@H]1CCS(=O)(=O)C1 1689997317 ZVNYTDIXKZOBRO-FQEVSTJZSA-N 471.583 1.222 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCC(F)F 1690003528 PVVVKSMGECUHKQ-UHFFFAOYSA-N 463.514 1.001 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2CC(=O)NCCC)CC1 1690139965 GOXVHIKZAXDGCL-UHFFFAOYSA-N 459.554 1.985 30 10 JDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)[C@@H]1CC 1690175501 YRGMBFZRIQMTJG-SFHVURJKSA-N 454.604 1.533 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690278678 MJWXDDFUVUXSDS-UHFFFAOYSA-N 484.586 1.358 30 10 JDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1690288331 SATJDFDLZGHUJH-SFHVURJKSA-N 452.625 1.137 30 10 JDEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1690295586 CMWBVMSGZKDAIT-UHFFFAOYSA-N 472.521 1.080 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN(C(C)=O)C1 1690597012 HFONDZGJJUZWBP-RTBURBONSA-N 466.608 1.048 30 10 JDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1690634540 ABLYKLMLOQUPPK-UHFFFAOYSA-N 464.578 1.487 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2C2(CCC2)C1 1690660545 JWDGNWRXBROQNX-MRXNPFEDSA-N 458.588 1.632 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1690675317 WQVDFNSKUFHEIS-GOSISDBHSA-N 488.593 1.172 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1690676066 OWAQFGFGYHCIFX-UHFFFAOYSA-N 451.531 1.478 30 10 JDEE 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466.608 1.119 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1705704573 WSUQHXHLZRONNR-UNMCSNQZSA-N 469.590 1.206 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCCC2)CC1 1705782240 RLXWMPAMTNSZGS-LJQANCHMSA-N 452.625 1.499 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1705903008 OLBGHMDTGRPICP-ZDUSSCGKSA-N 457.478 1.536 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1705903507 XCWAMLZLRPIYNI-GOSISDBHSA-N 454.531 1.142 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1705904331 MMGFYUQNXLBXNM-IKGGRYGDSA-N 486.664 1.024 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC(C)CC2)CC1 1705904745 XHLXYWWQGPYQRX-JLAWEPINSA-N 464.636 1.183 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1705923149 ZZJZXMIFXNZWRD-MSOLQXFVSA-N 474.587 1.309 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](CC)C1 1705936039 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C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1C[C@H]1CCCO1 517154103 MIECPFQYHGAWJK-GOSISDBHSA-N 465.575 1.608 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)Nc2ccc(C(=O)O)cc2)nc1C 586343048 ZQGRKKZNIMPFLR-HKBQPEDESA-N 465.509 1.818 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)c(OC)c2)c(=O)n1C[C@@H]1CCCO1 603800608 ZODIJAXWGRLSJT-HNNXBMFYSA-N 491.516 1.504 30 10 JDEE COc1ccccc1CNC(=O)CSc1n[nH]c(NN=Cc2c(C)nn(CCO)c2C)n1 1083910894 GIMMGIBJHSQKRQ-UHFFFAOYSA-N 458.548 1.473 30 10 JDEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CCSC[C@@H]3C#N)CC2=O)cc1 1127627413 GYUJGJBNTXQUGY-WBVHZDCISA-N 450.586 1.538 30 10 JDEE C#CCN(C(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1227347371 KTWAVTOLQNQXCR-ZDUSSCGKSA-N 452.476 1.441 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCN2CCCS2(=O)=O)c1 1286312714 ZZLLPYWLIHFCSN-UHFFFAOYSA-N 493.593 1.356 30 10 JDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1286360244 FHENQSGWJSLEHX-JYJNAYRXSA-N 454.597 1.603 30 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JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1286606507 RQCPKLNFNHIREU-RTWAWAEBSA-N 475.638 1.053 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1N(C)CCCC1(C)C 1286758837 WLILBHPFRIEGHD-OALUTQOASA-N 466.652 1.910 30 10 JDEE C=CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(C)CN(C)C1=O 1286765106 MCUOKDJXBQXILJ-QFIPXVFZSA-N 475.619 1.664 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1286781786 AGPUHJWVFCOFRN-UHFFFAOYSA-N 453.510 1.712 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1286789042 NTAYFIUGGIVKJL-UHFFFAOYSA-N 459.510 1.715 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1286816434 LAQJITFXAWHTLM-UONOGXRCSA-N 453.908 1.708 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC(C)(C)OC[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1286825364 QFPCBJJELYMSJP-UWJYYQICSA-N 456.609 1.923 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@](C)(O)c1cccs1 1288154371 GLXBMAHMYOCLNA-HSZRJFAPSA-N 480.598 1.979 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1296288680 GMDVSWGCUZBWQA-HSZRJFAPSA-N 494.644 1.432 30 10 JDEE CN(Cc1ncnn1CC(F)F)c1nnc(-c2cccc(C#N)c2)n1CCCS(C)(=O)=O 1298461740 ALTUGXNDKDJOTA-UHFFFAOYSA-N 464.502 1.744 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2CCS(=O)(=O)CC2)c1 1300332175 ZGIACJWTARDMLT-UHFFFAOYSA-N 498.609 1.395 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1300502892 ZIMOOWWPNFPAEM-LEWJYISDSA-N 490.651 1.657 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccc(OC)cc1 1300578150 IDTFVELGCHOIKL-JOCHJYFZSA-N 485.610 1.715 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCNC(=O)c2ccco2)CC1 1300688741 LAHVMFNZBXQFMW-UHFFFAOYSA-N 464.526 1.741 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCN2CC=CCC2)CC1 1300699626 FSZKLTFBTCQWDA-OAQYLSRUSA-N 485.633 1.604 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1300761949 FFJIDRKNHKWOON-HUUCEWRRSA-N 465.567 1.619 30 10 JDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300831046 QQGOBTDBOARIES-KGLIPLIRSA-N 483.371 1.443 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(NS(=O)(=O)CC)CC1 1300893529 ZZOZXJHPMYYBFH-DYESRHJHSA-N 480.635 1.290 30 10 JDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1301185974 PGHPOZPVBUWXRU-PZJWPPBQSA-N 451.575 1.934 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1301424541 LWCFKQPEZNKSCN-LVCYWYKZSA-N 454.593 1.547 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccs2)CC1 1301479411 ZKGXVFJVKQIUOT-UHFFFAOYSA-N 452.544 1.616 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1301514851 NNQSPGFXCJLCOV-SBUREZEXSA-N 457.531 1.552 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(S(C)(=O)=O)CCC2)C1 1301544242 UZCOJGOETAZTEH-LAUBAEHRSA-N 454.593 1.679 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1301588055 BTBZVDFLNOJHDY-UYAOXDASSA-N 493.655 1.862 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1301589198 PCNGIWPWXFPEFM-DYESRHJHSA-N 464.592 1.258 30 10 JDEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1313618497 CNQPGQSUXRUDKD-KRWDZBQOSA-N 474.587 1.514 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(COC)CCOCC2)CC1 1313990078 GWQYRBCKYIGEJP-UHFFFAOYSA-N 481.601 1.518 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)N(C)C)c1 1358901920 ZWVISTIRWTTWRB-UUOWRZLLSA-N 454.575 1.937 30 10 JDEE C#CCCCn1c(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1358936774 XKJWSSOMEIXSAY-JYFHCDHNSA-N 488.677 1.963 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(F)cc1C)[C@@H]1CCS(=O)(=O)C1 1358961491 ABYBHQPVQOXOAT-RTBURBONSA-N 459.547 1.546 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(Br)cs1)[C@@H]1CCS(=O)(=O)C1 1358961970 HQJFBTXRWNPCBR-UKRRQHHQSA-N 498.428 1.728 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1358967191 FXCMVKTYSSYTST-GOSISDBHSA-N 484.582 1.583 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)c1ccccc1 1359010083 GDICDLNFRRASKR-UYAOXDASSA-N 460.604 1.595 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)N(C)CC 1359023555 NTOCBJBIOAFXSY-UHFFFAOYSA-N 451.531 1.239 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCNC(=O)C(C)(C)C)CC1 1359031483 DJHFCACCZWVNCH-UHFFFAOYSA-N 454.575 1.880 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1359052620 KRHXYAICQXWLPW-QGZVFWFLSA-N 474.608 1.955 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CC(C)(C)CN1CCOCC1 1359299053 SSFSVQICXPTDCO-UHFFFAOYSA-N 494.600 1.691 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359335883 XSVVLVPQCZEBSE-QFIPXVFZSA-N 475.571 1.183 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1359342561 AICDVDUGPADPPW-RBUKOAKNSA-N 468.693 1.316 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H]3CCCN(C(N)=O)C3)nnc12 1457851317 FMTUMOAJLKQWRM-AWEZNQCLSA-N 455.544 1.229 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccsc1 1507539325 UQACDXIHKAYTGL-ZSZQSSIHSA-N 453.590 1.038 30 10 JDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507561066 RDDFSDGFEFIQAZ-INIZCTEOSA-N 462.576 1.575 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCS(=O)(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507625862 BOHXFBNRHIUQPJ-GOSISDBHSA-N 494.639 1.794 30 10 JDEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507638443 RABNTWQXWFNQQY-INDMIFKZSA-N 494.662 1.626 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1507724842 XTCUWODTMFYQSX-HXUWFJFHSA-N 471.005 1.772 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCNS(C)(=O)=O)CC1 1507734959 FTMAXTUWWRUUAQ-UHFFFAOYSA-N 481.582 1.008 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccc(C(F)F)n1 1507772807 NMPKUXGKJXTSDQ-FOIQADDNSA-N 481.529 1.379 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2nc(C)no2)CC1 1507901482 AFPZCMWTIVYZGO-KRWDZBQOSA-N 465.580 1.338 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc(CC)o1 1508072608 HAXOMQDRDPOIAD-ZBFHGGJFSA-N 450.565 1.687 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(F)c2C1 1508075947 QWSBQARAABLGCB-LBPRGKRZSA-N 454.503 1.031 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)OC)CC1 1508145479 MIPBOXWBQABJAM-IBGZPJMESA-N 476.555 1.781 30 10 JDEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1508164828 MUIXPYKGVMEBLQ-KRWDZBQOSA-N 475.644 1.906 30 10 JDEE C=CCSCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1508167943 LKDFBVAGZPGGPI-DYESRHJHSA-N 450.609 1.794 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539230128 KJDXKDQDAPDMSX-VGSWGCGISA-N 491.639 1.711 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCc1c(OC)cc(OC)cc1OC 1539231538 SXYOVIFMGMBKPO-UHFFFAOYSA-N 451.527 1.855 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1539317740 HIVDSLLNTFZJOR-LEWJYISDSA-N 460.538 1.858 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1539428786 WPLDAFPIPBSXMI-UHFFFAOYSA-N 471.587 1.038 30 10 JDEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCN2CCN(C(C)=O)CC2)CC1 1539430421 JTIIHEVTNQECDP-XMMPIXPASA-N 463.630 1.739 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1539431282 QUAMLJKSXFEWQL-FXAWDEMLSA-N 477.610 1.086 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2CCN(CC)CC2)CC1 1539436394 QSULHOHZBFABLW-UHFFFAOYSA-N 457.026 1.776 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1539828875 QFOOGIMBIZQJOI-HNNXBMFYSA-N 468.605 1.001 30 10 JDEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1540037447 LNTFWGRASISZTQ-MOPGFXCFSA-N 490.605 1.990 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCS(=O)(=O)c1ccccc1 1540071925 IQNNYHGVSQHWQM-SFHVURJKSA-N 483.616 1.097 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1540864992 RDRAUDQHDDPQAS-JOCHJYFZSA-N 475.571 1.280 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1540873023 KLRYDZDUDOUALP-GHTZIAJQSA-N 485.658 1.612 30 10 JDEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C(=O)NC)C2)cc1 1540878703 FNJJHFIZCTUUOU-OAQYLSRUSA-N 465.558 1.704 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC(C)(C)O[C@@]3(CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540909048 VWGNXPALGXKQBV-XZOQPEGZSA-N 498.646 1.694 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(N2CCOCC2)CCSC1 1541803059 BWDVJHXCUOAYHD-FUHIMQAGSA-N 468.649 1.126 30 10 JDEE C[C@@]1(C#N)CCCN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1541991454 AHKBXQUWMWCZLB-LEWJYISDSA-N 463.535 1.676 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@H]2OC)CC1 1547767516 AJJPGJAZVAKEBX-IFMALSPDSA-N 481.601 1.802 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)CC1 1547767620 BOGHVVYDLXNDSM-VWLOTQADSA-N 493.568 1.488 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2(CS(C)(=O)=O)CC2)c1 1587692704 IXYZCNUBXFHIIG-GOSISDBHSA-N 484.582 1.110 30 10 JDEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1587898172 JBMJFGCLJROLOZ-RTBURBONSA-N 458.607 1.783 30 10 JDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1588034803 MAIZOZMTBFKWSX-SFTDATJTSA-N 472.611 1.988 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1588035364 SPFRSRROYVIYFC-TZYHBYERSA-N 492.598 1.446 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2cc(OC)ccc2n1C 1588181666 ZMCUEPFORXMPNX-MRXNPFEDSA-N 469.571 1.295 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1588913471 KLLJPXFHDVLMQB-OAQYLSRUSA-N 478.645 1.580 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(CC(F)(F)F)C1)C1CC1 1595058550 PDWPMGGROQXKEB-WBVHZDCISA-N 492.568 1.650 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1595466240 HJKLABDLZBZYMR-IRXDYDNUSA-N 475.594 1.554 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cnc(C)s2)CC1 1595760759 SCRKWFRPADEDDA-UHFFFAOYSA-N 481.648 1.104 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1595838346 PJGMGPZVHPPWCP-UHFFFAOYSA-N 484.630 1.589 30 10 JDEE CC(=O)NCCN(C(=O)CCc1c(C)nc2c(C#N)cnn2c1C)[C@@H](C)C(=O)OC(C)(C)C 1611418385 FOTQCOVQEQLAJV-INIZCTEOSA-N 456.547 1.845 30 10 JDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2cncn2)CC1 1617312433 DPBHIZPEKVTFII-UHFFFAOYSA-N 454.560 1.760 30 10 JDEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)C1 1620150268 ABPYHRUYOVHYAS-MRXNPFEDSA-N 484.504 1.899 30 10 JDEE C=CC1(CC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CN(C(=O)OC(C)(C)C)C1 1632240691 TZNAIQSOSLEPAE-UHFFFAOYSA-N 458.563 1.445 30 10 JDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@H]1CCN(C(=O)OCc2ccccc2)C1 1653726424 WYCWXJFNCVUNOT-OALUTQOASA-N 456.586 1.650 30 10 JDEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 1662047528 NDOYNNHPTNPKRZ-UHFFFAOYSA-N 450.538 1.198 30 10 JDEE CCN(C[C@@H](C)C#N)S(=O)(=O)NC1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1664045657 BUDJORCKSNVKQG-IRXDYDNUSA-N 456.634 1.931 30 10 JDEE C#CC[C@H](COC)NC(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1677551830 RNPUVQQWDHAMEY-QGZVFWFLSA-N 453.561 1.442 30 10 JDEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)COC)CC1 1689892917 PUQFOONHYJNSBQ-IBGZPJMESA-N 490.605 1.685 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(OC)CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1689987795 CIYKYUYMDBYCCQ-RKQJOMJXSA-N 463.604 1.451 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1689989631 HKOROMTUYSKSRW-KURKYZTESA-N 451.593 1.451 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1689993131 WIFDSZVUHKUDHC-HNNXBMFYSA-N 490.536 1.962 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689994149 SACPEMJIZLMHCP-FXAWDEMLSA-N 476.672 1.992 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(S(C)(=O)=O)CC1 1690036959 HLELDRYRQJALKE-UHFFFAOYSA-N 489.623 1.236 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1690112041 OUJSHVVCOPVNKU-CEXWTWQISA-N 452.625 1.239 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1690140165 OOCQACWZEACFOV-QYBDOPJKSA-N 497.596 1.858 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)N(C)C1CCCCC1 1690189781 BNPPZYCPNCILMI-HRAATJIYSA-N 450.609 1.672 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1690666028 WSGUBVBXWRRTII-SFHVURJKSA-N 484.601 1.954 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCN(CC)C(=O)C1 1690721094 XHIYRNWROXMMQW-UHFFFAOYSA-N 475.571 1.376 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCn2nc(C)nc2C1 1690725068 DPVABPCADSVMSR-UHFFFAOYSA-N 457.560 1.398 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690731127 AGVXIHZFCWHVME-YESZJQIVSA-N 496.634 1.317 30 10 JDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690748761 GZUOVZRHKJBGAF-UHFFFAOYSA-N 455.588 1.110 30 10 JDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1=O 1698085087 GEWYEKGKEURFEJ-PMACEKPBSA-N 454.531 1.163 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705562798 KOJSLPVJHUTCTD-FUHWJXTLSA-N 461.588 1.539 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1705563711 CYWQVROEBRJFFA-VQTJNVASSA-N 474.631 1.267 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1705568780 VCPANXYIFCZQIR-HXUWFJFHSA-N 479.566 1.642 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCCC1=O 1705580133 DRQAVBVRVQZTOO-UHFFFAOYSA-N 457.538 1.667 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCN(CC)C2)CC1 1705644759 BDVZGLTUYNTIKC-CYFREDJKSA-N 458.607 1.238 30 10 JDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705663171 YGBCECGOURPQAG-UHFFFAOYSA-N 484.626 1.818 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(CC)Cc1nc(O)c2sccc2n1 1705894565 CTVROWREERRMCI-UHFFFAOYSA-N 458.548 1.455 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1705930118 FXSYGPFJXMACDX-UHFFFAOYSA-N 498.613 1.948 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)N1CCCCC1 1722295429 KEHYXTGOIDVICB-OTWHNJEPSA-N 452.625 1.333 30 10 JDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1722337477 BHAZFXYWCCZTTP-JOCHJYFZSA-N 498.609 1.773 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722365493 DZUPSYAJAFVWLW-RTBURBONSA-N 492.623 1.276 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1722367874 XTSWVHITUFJUJO-IMSXRSKXSA-N 493.674 1.677 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1722459000 AELGMLWYTMHTEB-KRWDZBQOSA-N 488.614 1.884 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722688560 FZRVCSGSNOLNGI-OXQOHEQNSA-N 464.526 1.464 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(c2cnccn2)CC1 1722693740 ZALUBZAQEGKNKX-UHFFFAOYSA-N 470.484 1.965 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722702024 IUNCGOSLRZOYBG-QFIPXVFZSA-N 470.555 1.046 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)CCOC(C)(C)C 1722727546 MRERUESWEFQWKG-UHFFFAOYSA-N 453.565 1.858 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1723771783 HTIUXJCBTQITBT-UTKZUKDTSA-N 451.575 1.973 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1740574411 KWOYKZSDTAAZKA-QFIPXVFZSA-N 498.653 1.422 30 10 JDEE C#CCCCn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740596359 CIWAUFCNEDUUDN-CEXWTWQISA-N 460.579 1.804 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1740616048 QUONHPDNDHPODT-HXUWFJFHSA-N 457.600 1.903 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC=C 1740655903 GEVSKSGKJSNWOT-SFHVURJKSA-N 456.547 1.352 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1740684053 JAYSTWKDFFOFHH-OXJNMPFZSA-N 451.449 1.765 30 10 JDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740713935 NVQZLNVJSRSGAU-UHFFFAOYSA-N 477.612 1.806 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ncc(CC)s2)CC1 1740825552 PGJXOKIWFKRRQT-MRXNPFEDSA-N 452.606 1.835 30 10 JDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1740842966 SCKKPTHPXMBETH-UHFFFAOYSA-N 497.648 1.972 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1740952056 TUDNIOKNJXDGJL-HXUWFJFHSA-N 490.568 1.083 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1740954007 YZUZCPGZQDURCT-UHFFFAOYSA-N 478.513 1.886 30 10 JDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)Cc2ccon2)CCS1 1743244166 GEYNIVJSDMWYHA-OAHLLOKOSA-N 473.584 1.866 30 10 JDEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1748824376 OTHDLKFKCOYNBJ-IXDOHACOSA-N 481.619 1.446 30 10 JDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1748951485 WHYZVNRBFVSNEM-QHCPKHFHSA-N 463.579 1.883 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)CN2CCCC2)CC1 1749009677 VMIQRCSVUFGUFX-UHFFFAOYSA-N 452.607 1.766 30 10 JDEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N(C)CCNS(C)(=O)=O 1749023576 XAJMTXGWGQFCBR-UHFFFAOYSA-N 475.438 1.398 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1749229129 HMQHBBMOZXABTO-ZWKOTPCHSA-N 451.593 1.364 30 10 JDEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CC(=O)NCCOC)CC1 1749253536 RAUIQOZLRRVPOI-UHFFFAOYSA-N 484.992 1.972 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749660009 MBGFEXQFTPFQLM-DEOSSOPVSA-N 497.556 1.079 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749689362 DNUBWBMDZRCBLG-FQEVSTJZSA-N 482.585 1.568 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](C(=O)OC)C1 1749727036 LSYFVYPQYFOUDC-INIZCTEOSA-N 478.571 1.953 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1749731464 DWNKVEJVBOKMAA-KURKYZTESA-N 451.593 1.473 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)CCOC)c1 1760129087 XMINIUNHZKEYIY-MBSDFSHPSA-N 489.598 1.024 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1760209080 USFRYXHZOFITBQ-LJQANCHMSA-N 461.574 1.478 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(C)(C)O)c2)CC1 1760262502 ZTLKAFQGXJNDID-IBGZPJMESA-N 457.600 1.211 30 10 JDEE C=C(Br)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1760308708 PHGZLZQHPZRYRA-UHFFFAOYSA-N 495.397 1.801 30 10 JDEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760311811 BCZFEJVQSREURH-NVXWUHKLSA-N 476.331 1.998 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCC(=O)NC 1760319799 UQQHAFUBCUFHCX-XLIONFOSSA-N 461.588 1.902 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1760428102 OXTSPOPXQOJPLG-RTBURBONSA-N 463.608 1.144 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760517678 VALLKSGTYDXBIO-UHFFFAOYSA-N 489.483 1.369 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](COCC)C1 1760521509 VGAXCCZLRKRBDT-QGZVFWFLSA-N 465.558 1.840 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)OC)CC2)cc1 1760529758 GIADPIQYTDXLID-INIZCTEOSA-N 478.575 1.390 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cccc(F)c2)CC1 1760557201 CXSDXFCJQYQGJD-UHFFFAOYSA-N 490.605 1.463 30 10 JDEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(CC)CCS(C)(=O)=O)CC1 1765496907 CXMDWLQWDKRUDN-IBGZPJMESA-N 473.647 1.714 30 10 JDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCCN(CC)CC)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865720821 FKSHUPCGDVMCDV-LJQANCHMSA-N 497.596 1.192 30 10 JDEE C=CCN(CC=C)Cc1cc(=O)c(OCc2n[nH]c(=N)s2)cn1CCN1C(=O)CSC1=O 1870578280 IKHWCWZABTZNME-UHFFFAOYSA-N 476.584 1.561 30 10 JDEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1 1891488026 IZYWBOLPTZNRCF-ZWKOTPCHSA-N 472.571 1.524 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C1 1892761082 NWBIXPOFOLSHGX-MRXNPFEDSA-N 470.397 1.811 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255630721 ODMAARGCVYLMBF-ZDUYTPDQSA-N 454.358 1.614 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@]21C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256676365 WVPGEYIFWRRSPE-YUNKPMOVSA-N 450.370 1.987 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2267141724 YPXWXPIFGNONPP-ZFWWWQNUSA-N 450.345 1.057 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C 2267588518 MYCYDEPBNKBCJQ-JOCHJYFZSA-N 451.373 1.813 30 10 JDEE CN(Cc1ccccc1)CC(C)(C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267718417 SXWSQCSYVZBEFL-UHFFFAOYSA-N 462.425 1.908 30 10 JDEE CO[C@H](C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)C1CN(C(=O)OC(C)(C)C)C1 2268701561 QUFXMMUUBJEVCT-HNNXBMFYSA-N 467.397 1.940 30 10 JDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@H]2COCC3(CN(C(=O)OC(C)(C)C)C3)O2)C1 2281227839 ZJMHIQJPNRJHHW-COYMHYPVSA-N 479.574 1.814 30 10 JDEE CC1(C)OB(c2cc(C(=O)NC[C@@]34CN(Cc5ccccc5)C[C@H]3CCO4)[nH]n2)OC1(C)C 2281981373 YOTXCLPDPNWUBV-HOYKHHGWSA-N 452.364 1.730 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N=c1[nH]nc(CNC(=O)OC(C)(C)C)o1 2282092177 MRPCTRDYMHNIRR-UHFFFAOYSA-N 461.328 1.889 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@]1(=O)CC[C@H](CNC(=O)OC(C)(C)C)C1 2282174090 DFWYSWAENDIPGY-AYIMHOFYSA-N 483.400 1.267 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)OCC1(C)C 2282581433 HTXUJEWJRXOAGO-CQSZACIVSA-N 464.372 1.853 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2282683593 FPDIOBOGTBDWKL-CQSZACIVSA-N 463.388 1.880 30 10 JDEE CC1(C)OB(c2cccc(S(=O)(=O)NC[C@H]3CNCCN3Cc3ccccc3)c2)OC1(C)C 2282826167 PMTVVHJEIIBYJC-OAQYLSRUSA-N 471.432 1.738 30 10 JDEE C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282868153 JOMFRVZMAASPBU-PXNSSMCTSA-N 474.436 1.908 30 10 JDEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@H]1CNC(=O)CN1C(=O)OC(C)(C)C 2283955005 BZMBGJATNNWZLT-HNNXBMFYSA-N 479.408 1.741 30 10 JDEE Cc1nnc(CN2CCN(C(=O)CSc3n[nH]c(N/N=C/c4ccccc4[N+](=O)[O-])n3)CC2)o1 59844350 AVUHDTLISDZVAJ-KEBDBYFISA-N 486.518 1.287 30 10 JDEE COc1cccc(/C=N/Nc2nc3c(c(O)nc(=O)n3C)n2C[C@H](O)COc2ccccc2)c1 606630380 MXEXCQTZHFZKDC-SOAGAIGUSA-N 464.482 1.730 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)N(CCC)[C@@H]3CCS(=O)(=O)C3)cc2C1=O 853260829 JLOVHRLRHFQVTI-GDBMZVCRSA-N 462.524 1.440 30 10 JDEE Cn1c(=O)c2nc(Sc3n[nH]c(NN=Cc4cc(Br)ccc4O)n3)[nH]c2n(C)c1=O 1084656416 GQWJPLWBLUYSLU-UHFFFAOYSA-N 492.319 1.144 30 10 JDEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1C)[C@H]1CCS(=O)(=O)C1 1125953153 AGQAFAZDLLNSBP-MSOLQXFVSA-N 452.598 1.821 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nnn(CCOc3ccc(F)cc3)c2C)c1 1139117291 KZCNXFGKUUYMQC-UHFFFAOYSA-N 457.487 1.968 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccnc(C(C)(C)C)n1 1286297901 YTEXXWUWRHPIHH-PKOBYXMFSA-N 489.646 1.789 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1286395262 MJLCANRKPDQJQM-WMZHIEFXSA-N 474.583 1.598 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc2C1 1286397924 RICQGFMVHMEKNM-OALUTQOASA-N 454.600 1.408 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC2(C(N)=O)CCOCC2)CC1 1286494892 VKOGFERBLZNFRT-UHFFFAOYSA-N 478.597 1.311 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](OCC)c2ccccc2)CC1 1286495405 ZVKBVBHZUIFHCF-VXKWHMMOSA-N 499.637 1.924 30 10 JDEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)NCCOC)CC1 1286537539 FHUQPBBFKCNVFM-UHFFFAOYSA-N 455.401 1.729 30 10 JDEE C=C(C)COCCn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@@]1(OC(C)C)CCOC1 1286614854 YYNSIMQBMSHZNG-HSZRJFAPSA-N 476.578 1.432 30 10 JDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1286718334 GBVBUQTYRUOCJH-MRXNPFEDSA-N 453.590 1.395 30 10 JDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNS(=O)(=O)CC 1286727685 XMQFZKCDKDDWBZ-MRXNPFEDSA-N 472.612 1.538 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](OC)C1 1286779400 HXTDHZISCVHLMT-MRXNPFEDSA-N 461.592 1.464 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1286779958 LPEUKWLEVGXTPE-PXNSSMCTSA-N 469.521 1.961 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1286780364 DWKIHMBHFHCENY-UHFFFAOYSA-N 476.651 1.502 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1286787443 GCJUVBKOEZHFED-IBGZPJMESA-N 488.614 1.375 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)Cc1ccccc1 1286967041 CCYUIQXWUFJZHD-HKUYNNGSSA-N 479.628 1.781 30 10 JDEE CCN(CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1)S(C)(=O)=O 1295815135 GOLHWRMOXKGADZ-OAQYLSRUSA-N 475.550 1.842 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCCCC2)CCO1 1299154653 HPAKMYPILFBUIN-OAQYLSRUSA-N 467.574 1.556 30 10 JDEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1300404367 YDHOXJCIUGWBNE-UHFFFAOYSA-N 477.569 1.944 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300479932 VNZMFNCDIROYBD-KRWDZBQOSA-N 494.618 1.008 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300483270 KDSWBEFPLHYKQT-GOSISDBHSA-N 463.991 1.997 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1300503086 AJPDJRTXJSRCKW-YADARESESA-N 485.610 1.579 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCC[C@H]1C 1300664709 UPDOUUIKUXSUNZ-MZNJEOGPSA-N 450.543 1.829 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2ccccc2)CC1 1300724684 BUMSWPSJPFNDMK-RXVVDRJESA-N 469.611 1.950 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)[C@@H](C)C1CCC1 1300762662 LCWNCSRLKYCGBF-WMZOPIPTSA-N 455.650 1.992 30 10 JDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1300776453 KJWYSFBCGXVPOU-QGZVFWFLSA-N 484.582 1.705 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1300889476 QPDBQCJUBHMCTG-PZJWPPBQSA-N 458.607 1.762 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1301151053 HVDFXBSHLXTHLP-ZWKOTPCHSA-N 465.620 1.610 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)NC)CC1 1301480511 AJFZPDZEYYRINQ-QGZVFWFLSA-N 471.562 1.580 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1301577952 VHLUYVNRNOHMIC-IBGZPJMESA-N 452.968 1.557 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCCCO2 1301967408 CVYAMQXZMNRKON-OXJNMPFZSA-N 490.586 1.416 30 10 JDEE CS(=O)(=O)N1CC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)C1 1302467879 CWRZVJSXEDXKQI-SJLPKXTDSA-N 464.979 1.533 30 10 JDEE CCCN(C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1306782263 DBRNWTOEAREMEJ-AUSIDOKSSA-N 472.615 1.534 30 10 JDEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)CC1 1313533543 CVIBPCLOMHHSKP-UHFFFAOYSA-N 497.629 1.876 30 10 JDEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)CC1 1313924102 CEBHCJWXJPDACS-IBGZPJMESA-N 480.617 1.313 30 10 JDEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)C1 1316335545 FFXOQHPXHBLJHS-LJQANCHMSA-N 456.572 1.746 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1358912154 KEPAMPXURIYJTA-SJLPKXTDSA-N 479.628 1.829 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1358920437 ZAXSPPLDXKHDLV-JKSUJKDBSA-N 467.617 1.903 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@H](c1cccs1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358967919 VNHINBNZWVMHIM-RBUKOAKNSA-N 493.655 1.576 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCOCC1 1359016787 LZGSSXHLEKWONF-CTNGQTDRSA-N 489.617 1.927 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(NC(=O)OC)c2)CC1 1359029352 VPTATMVCEMJYDI-UHFFFAOYSA-N 474.525 1.907 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1359049101 IBIZPRSHBHWYDB-MRXNPFEDSA-N 493.615 1.490 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CC 1359259292 RAGQKUNJFPOOHS-SIKLNZKXSA-N 463.604 1.965 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1359287596 NPNCNUVTHYISEU-GOSISDBHSA-N 498.650 1.880 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](Cn2cccn2)C1 1359296484 KXFGINREEFVEIE-SFHVURJKSA-N 467.530 1.366 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccsc2)CC1 1359300803 KKPSFQQOZOACLJ-GOSISDBHSA-N 494.643 1.359 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(Cc3ccc(C#N)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1359305821 NTJUMPSVFNQKTC-RUZDIDTESA-N 479.585 1.426 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1359330652 YKNNTWKKIRGCFA-XLIONFOSSA-N 463.579 1.842 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1359332306 URSTXFJQBKSPPD-SFHVURJKSA-N 490.586 1.002 30 10 JDEE Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)c(=O)n1C 1361272100 CMXMWDKFLVBVNI-LJQANCHMSA-N 495.609 1.638 30 10 JDEE CCOc1ccc([C@@H](C)NC(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)cc1OC 1459086381 HANAYEUUARAQSV-QGZVFWFLSA-N 454.527 1.837 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccnc2OC)c1 1507548756 VNPUWABQWIEQOL-INIZCTEOSA-N 497.581 1.396 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507630502 ALCPWUSEVOLCHZ-WMZHIEFXSA-N 466.567 1.660 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507633609 FGGYKTJXGBHFHD-ZJSXRUAMSA-N 465.579 1.798 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)Nc2ccc(F)cc2)CC1 1507736637 RENYIAPZGJBIJI-VWLOTQADSA-N 498.559 1.674 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1507737927 HEECWBFMFXZJAS-IBGZPJMESA-N 450.591 1.821 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC(=O)NCCc2ccccc2)CC1 1507742675 NMNVOAKMAIHADB-UHFFFAOYSA-N 485.592 1.589 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COC)C1 1507798580 OMFDCTZZOOZTHA-MKXGPGLRSA-N 469.608 1.065 30 10 JDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507842518 BRTAIDYYQGKITN-UHFFFAOYSA-N 480.591 1.459 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1508084082 HJNAJQUFUMCIIH-LJQANCHMSA-N 480.617 1.135 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1508087400 QQKTXQQTGMXEDM-UHFFFAOYSA-N 495.538 1.690 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1508093897 WSNGGJVLEBGLPS-HOTGVXAUSA-N 473.965 1.988 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1508139759 DNMNLSBOQFEXRH-BDTNDASRSA-N 494.706 1.768 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(=O)CCC)CC1 1508140735 QAKCDRBVKJIMER-UHFFFAOYSA-N 492.602 1.492 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1508144461 DUJFHAZYBFZNJK-LPHOPBHVSA-N 452.552 1.849 30 10 JDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1COCCO1)C1CCN(S(C)(=O)=O)CC1 1517036197 GOJWNUVULKIETI-LJQANCHMSA-N 460.560 1.092 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)CN1CCN(CC)CC1 1539002351 SFKQGULNZJYMNZ-PMACEKPBSA-N 486.690 1.970 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[C@H](O)C2)c1 1539039211 ZSQGCXPQLQMOKU-HQRMLTQVSA-N 488.614 1.496 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1539220432 JIDHKBOKRQCINP-IRXDYDNUSA-N 454.618 1.243 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(CCn2cccn2)CC1 1539683267 KCBSTAYBTZNIJX-KRWDZBQOSA-N 450.613 1.262 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1539722523 OOXUBCKRQGOABZ-OAQYLSRUSA-N 460.560 1.533 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](N2CCCC2)C1 1540864636 GUXSLMDVIFLGHJ-IBGZPJMESA-N 472.615 1.715 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)N2CCSCC2)C1 1540896344 KKXRVXNKKJMGPJ-DLBZAZTESA-N 457.622 1.290 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)NCC)CC1 1540900516 YDSSVCCZDGVOFT-UHFFFAOYSA-N 462.576 1.406 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](N2CCCCC2)C1 1540908080 PLJQQMCNGNVPNW-ZCNNSNEGSA-N 467.636 1.668 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1540908161 QWQFESLCFZYAKO-CRAIPNDOSA-N 483.616 1.575 30 10 JDEE C[C@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1541878492 BYZNDUNCCFWDJY-NQIIRXRSSA-N 472.615 1.798 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 1558075455 VPCLAFUMMCFPTM-UHFFFAOYSA-N 458.496 1.399 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)cc1 1586994278 YZLVNHTUWSSBSJ-UHFFFAOYSA-N 456.568 1.477 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC=CO2)c1 1587693924 XNOVUAFAQNHFAK-AZUAARDMSA-N 469.567 1.929 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1588041758 ZVNJXYYAGAMKFA-OKXSDPAFSA-N 476.624 1.882 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc(C(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1588053303 CHNQJDGVMHUJNI-CVEARBPZSA-N 497.668 1.435 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCS(=O)(=O)N2CCSCC2)CC1 1588790760 AWWNYCQAIXRWSM-UHFFFAOYSA-N 478.619 1.218 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1588790920 HAZXOJQQVWDUIY-IBGZPJMESA-N 487.626 1.932 30 10 JDEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@H]2C1 1593747368 VHNFXLQYTWQXQY-ROUUACIJSA-N 491.593 1.393 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CC(N)=O)C1 1594499010 ZHEUJJLNSYIMMR-SJORKVTESA-N 468.624 1.305 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2CC2(C(N)=O)CCOCC2)C1 1595738736 UIFZMWDAEYZEMY-IBGZPJMESA-N 455.559 1.941 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1595744616 OBCBGEORBCHBBM-QUCCMNQESA-N 457.556 1.945 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1595760555 PYFWYYBXDPDDCM-JCGIZDLHSA-N 452.508 1.720 30 10 JDEE CC(C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1598136272 BSWWCFOHODRTEO-RTBURBONSA-N 451.531 1.451 30 10 JDEE Cc1noc([C@H](C)N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NC(C)C)CC2)n1 1612618103 HHQSTJXAKHCZKJ-INIZCTEOSA-N 463.546 1.916 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2ccc(F)cc2)C1 1620170625 HFEINGZBZMIDBN-FXAWDEMLSA-N 466.514 1.435 30 10 JDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 1640516206 DYLMAQPCRUWVEB-LBPRGKRZSA-N 454.505 1.253 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(CSc3nc(C)cs3)cc2)CC1 1650846024 GSSVQOWOCGFHPZ-UHFFFAOYSA-N 450.611 1.969 30 10 JDEE C#CCN(C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1CCS(=O)(=O)C1 1667948103 ZIPRECNYUWOLKE-GOSISDBHSA-N 453.586 1.193 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2snnc2C)c1 1689868368 FDVABGOBMVMRKX-CQSZACIVSA-N 488.599 1.153 30 10 JDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1689924508 JZVBAQRLAZTPIX-HNNXBMFYSA-N 452.606 1.521 30 10 JDEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1689987936 FWOGWYLGGOPXIS-QGZVFWFLSA-N 468.583 1.590 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCCCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689988097 JDLWACLIGWUFRX-PMACEKPBSA-N 471.631 1.874 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1689998115 BUMPDOMFFRQOMM-VJANTYMQSA-N 452.577 1.055 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCOCC1 1690046702 FSLZXQSCVLMAIU-HSZRJFAPSA-N 481.622 1.524 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(Br)cc2)CC1 1690111764 JPTMDUGGCAFJKH-INIZCTEOSA-N 495.447 1.649 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(S(C)(=O)=O)CCC2)CC1 1690117817 WUXDDKYERDNUTF-UHFFFAOYSA-N 473.599 1.685 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(C)(C)C(=O)NCC)CC1 1690122489 SCXRUSGWLMWBDB-UHFFFAOYSA-N 476.585 1.110 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1690129408 WGYIVGRMNPOKHP-HXUWFJFHSA-N 459.545 1.375 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1690508760 OZIVHKBYMIJLCM-GOSISDBHSA-N 465.620 1.754 30 10 JDEE CCN(CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)C1CC1 1695761847 CYYAWZMYCOZGEO-IBGZPJMESA-N 458.588 1.836 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCSCC2)C1 1695954312 FIFCENTWBOZRPT-IBGZPJMESA-N 475.644 1.384 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN(C)S(=O)(=O)CC 1705485277 HBCYJXRSJVVZQX-INIZCTEOSA-N 457.564 1.050 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(C)c1 1705494684 DLOPTRMAPFSKMC-NLWGTHIKSA-N 461.588 1.845 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCN(C)C2)c1 1705507271 WQFFTCPZIJJEMO-RUZDIDTESA-N 459.554 1.387 30 10 JDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCNS(=O)(=O)c1ccc(C)s1 1705556311 PKOIIJMVRGXZLY-UHFFFAOYSA-N 478.625 1.687 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1705562281 ZLBGMGKGANGVGB-LPHOPBHVSA-N 472.546 1.966 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1cc(C)ccc1OC)[C@H]1CCS(=O)(=O)C1 1705565368 HCAVNVHWKFBYMC-OALUTQOASA-N 471.583 1.416 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@]1(O)CCS(=O)(=O)C1 1705624795 PNKUGJBASBPVIZ-JOCHJYFZSA-N 455.540 1.129 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1705653911 SNKNLIBLCREVLQ-OAHLLOKOSA-N 485.705 1.258 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)C[C@H]2C(=O)NCC1CC1 1705721096 LIBYNOXQBPSNRW-RDJZCZTQSA-N 450.609 1.597 30 10 JDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)c1ccccc1 1705741580 TUEQAKUJSVVTIC-UWJYYQICSA-N 479.628 1.617 30 10 JDEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCS(C)(=O)=O)C1CC1)c1ccccc1 1705742832 GYFFHBABRPJMEI-GOSISDBHSA-N 464.613 1.907 30 10 JDEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705803680 ZAORWKJRCZPOHR-KRWDZBQOSA-N 471.591 1.747 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1705902964 NQAMOHJRTQJBBZ-NRFANRHFSA-N 466.586 1.674 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C(=O)NC)C1 1705910982 UOPRFAIYCUFGIY-IBGZPJMESA-N 477.525 1.490 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1705934648 SNAWEBRYWCLGTA-IBGZPJMESA-N 471.587 1.660 30 10 JDEE CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)CC)C1 1710382777 CKVFJDMZQDFALI-GOSISDBHSA-N 469.546 1.922 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1710885436 DUNOHJYEYLCVJY-UHFFFAOYSA-N 483.602 1.538 30 10 JDEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C1 1711347648 DANLBTXXQTYTNI-IQVDJAOASA-N 456.572 1.602 30 10 JDEE C#CCN(c1nnc(CSc2ccccc2OC)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1722369721 FHEWBTLJXJAWBS-INIZCTEOSA-N 498.652 1.250 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCNS(C)(=O)=O)CC1 1722430370 BNQXELOGYOVFLP-LJQANCHMSA-N 460.604 1.339 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC[C@H]2OC)CC1 1722434256 OEZUSCNQCFDEOH-TZIWHRDSSA-N 457.600 1.919 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC[C@H]2OC)CC1 1722440308 CDNSWKPPMWJZDS-RBUKOAKNSA-N 465.558 1.706 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](CC(C)C)N(C)C)CC1 1722440829 LFGLUGUTSHIWEB-FQEVSTJZSA-N 480.617 1.868 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)(C)C)C1 1722483237 BDJOQOAVLURCQR-GJZGRUSLSA-N 492.440 1.771 30 10 JDEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722620149 CZHLEFBRXNQFEA-MRXNPFEDSA-N 489.374 1.733 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1722630409 ZZSBPHSGFAPHGE-OALUTQOASA-N 480.635 1.355 30 10 JDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1722682848 NKSBYFZMERUUPF-ZDUSSCGKSA-N 467.983 1.978 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1722696090 ATJURFFIIWUEPW-GHTZIAJQSA-N 466.590 1.021 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1722726899 CUNNXXQJGLOZKT-LJQANCHMSA-N 489.646 1.931 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)Cc2ccccc2C1 1740655936 GMTRPTOMVDSXCR-JOCHJYFZSA-N 465.623 1.742 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC(C)(C)C)CC1 1740792794 MMUYWFUKLPHGLP-LJQANCHMSA-N 485.651 1.988 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1740950626 BGPWKYNKNCTWKK-IAGOWNOFSA-N 476.603 1.707 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](OC)[C@H](OC)C1 1740960552 USRIAZJVAZEIJK-HDICACEKSA-N 478.594 1.545 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCCS1(=O)=O 1741216522 CGYOCVZRYMHDRZ-HRAATJIYSA-N 497.597 1.828 30 10 JDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCc2cccc(C(=O)N(C)C)c2)n1 1742712564 FUDDZOMEDPAJIO-OAQYLSRUSA-N 462.558 1.813 30 10 JDEE CC[C@@H](C)[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1743471998 AJXCDGLOSHPGGT-OSPHWJPCSA-N 483.621 1.551 30 10 JDEE CCS(=O)(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1747443897 FOBYMDNZYICXAX-FQEVSTJZSA-N 491.593 1.796 30 10 JDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1748751605 ZIAHRYZCYCSCFM-LJQANCHMSA-N 457.604 1.879 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccnc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1748812573 WZTLTMVLSOIVBH-LJQANCHMSA-N 482.566 1.435 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1748817802 QOZNISXPPJKIGA-DLBZAZTESA-N 464.617 1.592 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748819937 VBLMIHDSTMTNTJ-LJQANCHMSA-N 487.626 1.809 30 10 JDEE C#CCN(c1nnc(COCC)n1CC1(N(C)C)Cc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1748824003 GZLONULEXAUJFA-NRFANRHFSA-N 471.627 1.541 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1748892872 XPZPWRIBAZWAMW-GOTSBHOMSA-N 481.622 1.544 30 10 JDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1cccs1 1748959919 APFQMULSCQEBOH-UHFFFAOYSA-N 456.528 1.583 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1748979115 WNZLBIDIHNFUSW-LPHOPBHVSA-N 469.521 1.301 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCCNS(C)(=O)=O)CC1 1748987395 WQOBSHWKTZDGMM-UHFFFAOYSA-N 469.571 1.295 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1749022830 NEWBLCSOAVTJAN-MAUKXSAKSA-N 480.664 1.380 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(F)(F)F)CC1 1749037023 AECZTFNYSXIRMR-HNNXBMFYSA-N 465.567 1.621 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1749119920 YLCLBOIOZHLWCD-SQNIBIBYSA-N 497.666 1.500 30 10 JDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(NS(=O)(=O)CC)CC1 1749677350 WTURPPAGPYFSEG-UHFFFAOYSA-N 485.614 1.491 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cnccn2)CC1 1749683346 QEWASOYJFNDBDX-YLJYHZDGSA-N 454.579 1.616 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1749740416 DLUUZTMNDDGXTQ-SFHVURJKSA-N 498.675 1.064 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1760189317 HLAOPLLTAMFHMK-HXUWFJFHSA-N 470.599 1.197 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1760191927 BPXQXPLNWMVSHH-LJQANCHMSA-N 486.573 1.989 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1760192746 XWNJYVQDEPAHRC-GEFUHLBYSA-N 474.652 1.991 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2csc([C@@H](C)OC)n2)CC1 1760251504 BNIPIEPVYWMBIK-MRXNPFEDSA-N 466.571 1.893 30 10 JDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1760278970 MWUUSLCLBVFDCJ-UHFFFAOYSA-N 450.572 1.471 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1760280524 GKEQDMVQTZEFEA-DLBZAZTESA-N 489.614 1.849 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSCC(F)(F)F 1760296055 YPYCBEFMJUYRLS-RHSMWYFYSA-N 481.566 1.899 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1760365567 BVZVKZQBYODQTB-IRXDYDNUSA-N 460.048 1.246 30 10 JDEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760374305 MBHZHFWYBZTBPP-BZUAXINKSA-N 485.969 1.699 30 10 JDEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760422947 UJFXPWGERSMLHQ-QGZVFWFLSA-N 484.557 1.474 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(CC(F)(F)F)CC1 1760440810 QRABGBMDBDQQLW-INIZCTEOSA-N 480.557 1.652 30 10 JDEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)OC)CC1 1760449991 BDUGTKOVISNNPT-UHFFFAOYSA-N 470.578 1.933 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1760554328 ZYLRSPCGEHCDQU-SFHVURJKSA-N 483.598 1.823 30 10 JDEE CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CC1 1760665457 HWVUAMGMBPYFFD-UHFFFAOYSA-N 467.574 1.853 30 10 JDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC(F)(F)F 1761357577 FVDUWGLLLLUWJC-GFCCVEGCSA-N 458.466 1.765 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ccc(S(C)(=O)=O)cc1 1762300894 AHQYZISLOHDWDM-SFHVURJKSA-N 490.586 1.408 30 10 JDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cncc(Br)c2)cc1 1859012109 ZRXNODVSPWLMTL-UHFFFAOYSA-N 466.313 1.865 30 10 JDEE C[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 1866871812 HVBFNSABWFDHMM-RDTXWAMCSA-N 475.596 1.816 30 10 JDEE CN1CCN(C(=O)[C@@H](CSCc2ccccc2)N=C2NS(=O)(=O)c3ccccc32)CC1 1869928445 YFAFPXJLINYWTR-LJQANCHMSA-N 458.609 1.801 30 10 JDEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(=O)OCC)s2)c(=O)cc1CN1CCC(O)CC1 1870587375 OCXBCAPTZRDOHQ-UHFFFAOYSA-N 490.582 1.950 30 10 JDEE CN(CC(=O)NCc1ccc(C#N)c(F)c1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1891596355 IBIQXROYRBYKTB-UHFFFAOYSA-N 474.514 1.107 30 10 JDEE COCCCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2CCN(C)CC2)SC1=S 2053511164 HPYHNWPBHGSHLU-UHFFFAOYSA-N 461.613 1.555 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)c(OC)c2)c(=O)n1CCCOC 2059847804 PHQTXRMRZPXSRV-UHFFFAOYSA-N 479.505 1.362 30 10 JDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1ccc(C#CCO)s1 2164498464 UFPZEDHQZHZQDP-FQEVSTJZSA-N 450.513 1.536 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C1)[C@H]2C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256622594 JKRJFNXCPRUYJZ-AGIUHOORSA-N 450.370 1.701 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C1 2267409592 WQSMJBJLBVPNDX-CVEARBPZSA-N 450.316 1.835 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CCNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2267531336 OLTMTFTWNZCKGO-NRFANRHFSA-N 467.397 1.934 30 10 JDEE Cn1nc(C(=O)N=c2nc(CNC(=O)OC(C)(C)C)[nH]s2)cc1B1OC(C)(C)C(C)(C)O1 2267538121 DSUJRLFPCGMYHP-UHFFFAOYSA-N 464.357 1.270 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CCOCC[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268675682 CMIHQSDXTGPVDX-CHWSQXEVSA-N 468.385 1.518 30 10 JDEE Cc1c(C(=O)NCC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281799898 BMWPYARJPDARHW-HZPDHXFCSA-N 460.384 1.870 30 10 JDEE COC1(CCNC(=O)OC(C)(C)C)CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282038590 KIUBYEPRCVFFFB-UHFFFAOYSA-N 464.372 1.475 30 10 JDEE C[C@@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2282565956 RABDDBRPJAZZQK-OLZOCXBDSA-N 458.290 1.639 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CO2)C1 2282576296 OOTOANQCJNSMGO-PEBXRYMYSA-N 462.356 1.607 30 10 JDEE Cc1sc(C(=O)N2CCN(C)C[C@H]2CNC(=O)C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 2282617609 KXAAAPHNYYCNKJ-CYBMUJFWSA-N 475.342 1.790 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC12CC2 2282858510 YDDVKDYKXNYMTF-UHFFFAOYSA-N 482.412 1.493 30 10 JDEE CC1(C)OB(c2nccnc2C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)OC1(C)C 2283064410 ZLCQHWZHBFWADZ-IBGZPJMESA-N 452.364 1.797 30 10 JDEE COc1ccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)cc1B1OC(C)(C)C(C)(C)O1 2296178473 NSGLLAUIPQNFFL-RDTXWAMCSA-N 464.368 1.885 30 10 JDEE CC(C)(C)OC(=O)N1CC[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 2331525554 AMRCQKPGCMHZKV-RNGXCGTMSA-N 452.357 1.268 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F 2337198468 KDGGIDYMECYAEF-KBPBESRZSA-N 452.336 1.797 30 10 JDEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2362297324 FGFUMNLCYMYYMG-CQSZACIVSA-N 462.356 1.607 30 10 JDEE CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2362355168 YRPDBIIVNUUIQG-HUUCEWRRSA-N 464.372 1.474 30 10 JDEE COC(=O)c1ccc(/C=c2\c(=O)oc3n2-c2oc(N)nc2[C@H](c2ccc(C(=O)OC)cc2)C=3C#N)cc1 20220784 WNEJZIXFWFTPQO-WAGPWIPHSA-N 498.451 1.222 30 10 JDEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)cc1OC 20292801 DMSZBQXKZSTPGL-FOKLQQMPSA-N 485.526 1.957 30 10 JDEE Nn1c(N/N=C/c2cc([N+](=O)[O-])ccc2O)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 20527383 XFILWCMYYCSRCX-UFWORHAWSA-N 473.431 1.691 30 10 JDEE C=CCn1c(Cl)c(/C=N/N=c2/nc(O)c(C)n[nH]2)s/c1=N\S(=O)(=O)c1cccs1 62437031 ZDSNDZPWXCUTOE-GBXHMWBKSA-N 471.977 1.807 30 10 JDEE N#CCC(=O)NC1CCN(C(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)CC1 219562478 FGOJTFUZLZKAHX-UHFFFAOYSA-N 461.316 1.846 30 10 JDEE COc1c(I)cc(I)cc1C=NNc1nncn1N 254514524 OXNXPVJYMAXLTR-UHFFFAOYSA-N 484.039 1.656 30 10 JDEE CCc1cccc(OC[C@@H](O)Cn2c(NN=Cc3ccc(O)cc3)nc3c2c(O)nc(=O)n3C)c1 606629898 IFBGXYYHJGOEAW-SFHVURJKSA-N 478.509 1.990 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN([C@H](C)c3ccccc3)CC2)cc1 811833013 IGUJTSNNPVKSRE-LJQANCHMSA-N 469.563 1.660 30 10 JDEE N#Cc1c(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](CC(N)=O)N[C@]32C(=O)Nc3ccc(F)cc32)sc2c1CCCC2 1076125692 NFAWCQBGFWYSGT-KILLWLNWSA-N 493.520 1.438 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)CC1 1175515259 UXODPNBWHMRNBU-GOSISDBHSA-N 456.609 1.462 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1230747286 YAMNGZWYAKHMJV-OAHLLOKOSA-N 459.565 1.219 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)Oc1cccc(F)c1 1286377112 SCQHKKQATGAOAK-PKOBYXMFSA-N 465.551 1.677 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 1286395085 YVVZGBPNFOLOGX-FQEVSTJZSA-N 481.578 1.599 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1286397262 YMBTZKNYNONQGT-SFTDATJTSA-N 463.648 1.919 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1286467700 TWAJXWXHKFBTCO-IRXDYDNUSA-N 469.608 1.570 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)CN(C)C)CC1 1286487593 GSDBSTKMPXHNDN-VWLOTQADSA-N 474.650 1.872 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(C)CCCO2)CC1 1286487964 IPGRMHQGQTVKHK-RPWUZVMVSA-N 459.591 1.854 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)CC1 1286491802 BWADVKPPMNWAFB-UHFFFAOYSA-N 450.543 1.856 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCC2(O)CCOCC2)CC1 1286494798 RITUGKZDJVZDAJ-UHFFFAOYSA-N 472.615 1.531 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccccc1F 1286519118 RHWUEDIBMKZYGB-YCRPNKLZSA-N 462.551 1.450 30 10 JDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1286612635 WIMAHFUQXQRTJB-VQTJNVASSA-N 483.635 1.743 30 10 JDEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1286770909 ZFARPEMACRRFBD-UHFFFAOYSA-N 464.548 1.916 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1286791970 IWNXOZGWWJWRSF-UHFFFAOYSA-N 473.553 1.882 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCS(=O)(=O)C2)C1 1286798680 NIAGUXSIEPBTLE-SJLPKXTDSA-N 453.609 1.803 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)cc2F)C1 1286808709 DUJZJJHFZHFSMH-HKUYNNGSSA-N 483.541 1.719 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N(C)CC(=O)N1CCOCC1 1286815846 FXNOHDCYFVMIKY-UHFFFAOYSA-N 467.979 1.494 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1286816578 GZENWEVGVIHOQC-HXUWFJFHSA-N 484.582 1.354 30 10 JDEE Cc1nccnc1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1290535202 CXZZHJHQHFYCID-OAQYLSRUSA-N 496.597 1.460 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCCOC2)C1 1300365463 XKEGITDCXWEGNR-RXVVDRJESA-N 451.593 1.421 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCNS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1300486736 AAVHYBVUSZXYFQ-HNNXBMFYSA-N 486.019 1.165 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCN(CC)S(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1300496865 VOWSNZRBKQLSDH-KRWDZBQOSA-N 473.665 1.165 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1nncn1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300503091 AKQPPTNSPWLMLU-GOSISDBHSA-N 455.544 1.070 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1300504682 QGDRGMMCTLMIDX-IBGZPJMESA-N 473.599 1.661 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(OC)C1CC1 1300805399 BQSAFWMOVBCQHY-WMQCIHAUSA-N 451.593 1.418 30 10 JDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1301135393 KBMUCMCOOWZPHS-IBGZPJMESA-N 494.662 1.747 30 10 JDEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)C1 1301258164 MLLMXXGKIVBYQX-KRWDZBQOSA-N 464.567 1.458 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CN(C)C1=O 1301349830 SXBJQZPQSBNAAI-AUSIDOKSSA-N 488.614 1.282 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1301515498 VNPQJVNCWBFRKL-UHFFFAOYSA-N 458.538 1.993 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1301531573 QLVNUBRPWARFFN-HXUWFJFHSA-N 454.575 1.605 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1301585288 KYZHBNBQCRUDOB-GOSISDBHSA-N 478.619 1.059 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)CC1COC(C)(C)OC1 1301586297 KAPPJKLUOYNPOS-UHFFFAOYSA-N 488.614 1.953 30 10 JDEE C#CCSCCNC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 1312048547 FWHURWBLFASZCQ-UHFFFAOYSA-N 455.602 1.866 30 10 JDEE CS(=O)(=O)CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1COCCO1)C1CC1 1316346177 BEGBRWXHQOEMIR-LJQANCHMSA-N 461.544 1.158 30 10 JDEE CSCc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)c1 1316431147 DSUQLRVLIDCAPT-RHSMWYFYSA-N 450.590 1.528 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(F)c(Cl)c1 1358948804 LRBFUGZVPGLOOV-QGZVFWFLSA-N 471.942 1.552 30 10 JDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1358963464 IOIGUOSGYXOIKJ-RXVVDRJESA-N 473.599 1.758 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358965550 XDFPNRPSPIDLJS-FQEVSTJZSA-N 499.618 1.365 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1358967734 QWOREDNJRSGMLM-SFHVURJKSA-N 470.555 1.274 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1358980705 HCKGFALVPPZBPA-NHCUHLMSSA-N 452.584 1.541 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCOCC2(C)C)CC1 1359042095 RCCXPPPLHAMKJF-VWLOTQADSA-N 488.633 1.007 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)CC1 1359098428 ASYZWGHTHZXJDD-AQNXPRMDSA-N 451.637 1.939 30 10 JDEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCS(C)(=O)=O)c1ccccc1 1359139174 NEXKNGXPRFGNGY-LJQANCHMSA-N 497.643 1.195 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(N)=O)C1 1359299702 LJPBOEQUOABVIT-CVEARBPZSA-N 461.567 1.006 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1359300082 SXPRQSQFIZSRLD-NRFANRHFSA-N 495.628 1.852 30 10 JDEE C#CCN(C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1469096726 ZQNAPTDJFJTAIG-SFHVURJKSA-N 458.563 1.878 30 10 JDEE COC(=O)c1ccsc1N1CC[C@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)C1=O 1478116390 ATBVAXPSMKONMF-INIZCTEOSA-N 454.512 1.438 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)NCCC)c1 1507551387 XGDAUESBIDSNIO-SFHVURJKSA-N 486.598 1.153 30 10 JDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(OCC(=O)N(C)C)c1 1507619220 YQGXRKNUORLDTC-UHFFFAOYSA-N 466.567 1.854 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1507622183 GVHFJWJEWIEKHZ-ROUUACIJSA-N 489.598 1.532 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1507626776 HKOOKXIDQJLIBM-KRWDZBQOSA-N 490.582 1.131 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](SC)C(C)(C)C 1507653112 LMKZEPXGXYIBOB-DLBZAZTESA-N 453.634 1.462 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1507832167 QNWODCMCJAQTCM-GHTZIAJQSA-N 465.551 1.424 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1507843723 RSIWPYBNOSTLEC-LJQANCHMSA-N 452.559 1.845 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(CC)C1 1507845941 UPWSBWQEQREUSB-XLIONFOSSA-N 457.597 1.209 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1508092859 RREULNOTHZNLQA-UHFFFAOYSA-N 492.584 1.901 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ncnn2C(C)(C)C)C1 1508116796 SCKRIWBQRYUHRR-GJZGRUSLSA-N 452.585 1.064 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1508129475 CMIAGPLEFGGOTQ-GOSISDBHSA-N 487.630 1.837 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1508137312 ZNWURNGWYPCIBJ-AZUAARDMSA-N 494.639 1.955 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1508144268 OQTXETZMNKGOLT-LJQANCHMSA-N 485.657 1.250 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1508144274 OVTPMGTWJHHBQA-KRWDZBQOSA-N 470.592 1.622 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1508162290 PXQZHSVMIQPFNC-ZIAGYGMSSA-N 485.554 1.298 30 10 JDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)Nc2ccc(F)cc2)CCO1 1521136406 DXXUQPDLGQIINL-MRXNPFEDSA-N 469.502 1.776 30 10 JDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)NCC)CC1 1539051408 AZBLERMYEIJLPF-UHFFFAOYSA-N 472.615 1.410 30 10 JDEE C#CCCCCn1c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1[C@@]1(OCC)CCOC1 1539087208 RYIOBDYTQWTWBA-VGOFRKELSA-N 456.551 1.266 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539230793 KGLXUEPBMTVIMH-WOJBJXKFSA-N 487.626 1.977 30 10 JDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cnn(C)c1 1539578946 FYAQWCKJPYPVAE-OCCSQVGLSA-N 458.386 1.872 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)C(C)C)CC1 1539617592 XREONCZIQVRZAA-LNLFQRSKSA-N 482.651 1.611 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1539635645 HFDOMZUIRIYTHS-DSKINZAPSA-N 460.604 1.763 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nc(C)no1 1539668760 DWNUSWNMVRDSCA-MRXNPFEDSA-N 453.569 1.338 30 10 JDEE C=C(C)COCCn1c(C2CC2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1539744528 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1.847 30 10 JDEE COC(=O)[C@H](O)C1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 1653830002 FKDDMLXCDJDISY-VGOFRKELSA-N 458.559 1.602 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689997144 WRGCDXXJCBPWHS-PKOBYXMFSA-N 456.572 1.306 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C(C)(C)C)n1 1690019977 WBFDWIPBLJXGLM-GOSISDBHSA-N 490.655 1.681 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1690130638 JSPRZROWPDQQNT-OYRHEFFESA-N 455.651 1.912 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCN(C)C2)CC1 1690140328 UYFMAPHKGQJETH-QFIPXVFZSA-N 457.966 1.026 30 10 JDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1690179252 SEDBQOHGFLOGKG-UHFFFAOYSA-N 487.611 1.270 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ncccc1F 1690206305 NFDUYBRRVWZESK-LAUBAEHRSA-N 478.550 1.216 30 10 JDEE C=CC[C@@H](Cn1c(C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)c1ccccc1 1690441972 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C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1740964360 NYKNDUDWMNPBQT-LJQANCHMSA-N 461.588 1.871 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1740985934 NYGJSIBNEMOIIR-BTYIYWSLSA-N 482.607 1.121 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1740987769 LXNROXOVJSOFLG-UZLBHIALSA-N 489.598 1.526 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCS(=O)CC1 1740987907 ZZDGEGCYOOSZRQ-HNNXBMFYSA-N 456.565 1.727 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](COC)C1 1740990213 MKZGJSFBLPOAHB-FQEVSTJZSA-N 472.571 1.583 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2CC(=O)NCC(F)(F)F)c1 1747600849 HUUYAIHMNZFDRO-UHFFFAOYSA-N 499.519 1.614 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)(C)C 1747706452 DCVIPAHBANYLMY-GOSISDBHSA-N 458.588 1.851 30 10 JDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@](C)=O)CC1 1748930043 WMEFGZUXUNZSOV-MKTHODDLSA-N 451.593 1.957 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)CCCO3)CC1 1748972381 HKIDLOCTBYORQM-QGZVFWFLSA-N 458.588 1.017 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1749001060 FXPQAHFNDBZHJI-BGYRXZFFSA-N 471.650 1.750 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cn3ccccc3n2)CC1 1749001518 VFYQKQSALLWSLC-UHFFFAOYSA-N 462.558 1.273 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccc(F)cc1 1749066252 IXABOWDPWSWRJO-WWPVKYPJSA-N 491.589 1.650 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)NCC)CC1 1749119542 UBHIBLKNZZZOGA-PKOBYXMFSA-N 468.562 1.758 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1749135962 JZSJBFDYDJEFSV-REHUZNOOSA-N 487.649 1.418 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1749228919 FLYYRFKWNHRYTL-MJGOQNOKSA-N 464.592 1.567 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1749676757 CQTCDYRUPUJQHO-GOSISDBHSA-N 453.503 1.471 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@](O)(c3ccccc3F)C2)nnc1[C@]1(OC(C)C)CCOC1 1749682556 VGOGTNFBUBVSIK-RPWUZVMVSA-N 473.549 1.858 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)N2CCOCC2)C1 1749696098 PXZFIGKFQICXGF-UYAOXDASSA-N 475.615 1.851 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(S(C)(=O)=O)cc2)C1 1749711928 DKOKRZWOMVZQNA-OALUTQOASA-N 494.639 1.608 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1749734240 GULBSRCSROIAOO-YADHBBJMSA-N 489.642 1.629 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCNC(=O)[C@H]1CC 1749736435 IUQAQMGZMDINLE-QGZVFWFLSA-N 451.980 1.838 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccco2)C1 1749756209 UTVWHCBHNLTHQE-MSOLQXFVSA-N 483.616 1.701 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1750969600 AKJSPSHALOZVGJ-UXHICEINSA-N 453.547 1.046 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1nccnc1C 1760196624 PWUUFEFALGEEON-UHFFFAOYSA-N 462.583 1.961 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNC(=O)c1occc1C 1760201618 GPNGYPLQGOZJDK-UHFFFAOYSA-N 483.532 1.986 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccsc1)N(C)C 1760233135 ITZIZQSPFJKKLP-ROUUACIJSA-N 466.633 1.435 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1760253255 CRYBASACBDKOEK-INIZCTEOSA-N 450.634 1.895 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1760253962 LAMCNULFHFNJQP-RWUVGJFLSA-N 493.543 1.839 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCN(C3CC3)C2)CC1 1760265012 KWVCOHCMFLEIPV-SFHVURJKSA-N 469.634 1.647 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCC(C)C)C1 1760306183 DEKGQUIAYDROKB-HOTGVXAUSA-N 492.440 1.771 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1760518891 LBGDWBFGSWSEGT-INIZCTEOSA-N 452.519 1.546 30 10 JDEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)N1CCOCC1 1761522367 GKEZJUZBEGVLRL-APWZRJJASA-N 458.494 1.535 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@](F)(C#N)C1 1766944253 BPFFGUPPHDFUHF-FQEVSTJZSA-N 459.507 1.933 30 10 JDEE CCN1CCN(C(=O)NS(=O)(=O)c2ccc(CNC(=O)c3cccc(C#N)c3)cc2)CC1 1858662177 XMXMLEZJOFZZQK-UHFFFAOYSA-N 455.540 1.524 30 10 JDEE CCN1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)N=C2NS(=O)(=O)c3ccccc32)CC1 1869927888 HAHRVPDGOXPXOC-NRFANRHFSA-N 465.579 1.982 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CCNC(C)=O)c(CN(C)C)cc2=O)nc1C 1870323551 WPUQWHOJSWLMMC-UHFFFAOYSA-N 491.570 1.171 30 10 JDEE C=CCN=c1nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871507828 ZSXWFPKBZBSCJX-UHFFFAOYSA-N 496.597 1.618 30 10 JDEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(NCCc3ccc(OC)c(OC)c3)ncnc21 1875228232 GMXZNQSAXNAGQD-UHFFFAOYSA-N 469.542 1.716 30 10 JDEE CC1(C)OB(c2cnc(NS(=O)(=O)Cc3ncsc3Br)nc2)OC1(C)C 2234520923 OMBJXNFDVNYLJZ-UHFFFAOYSA-N 461.172 1.937 30 10 JDEE CC(C)(C)OC(=O)NCC(CO)(CO)NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 2254558465 TXYAMBBXPMZGLQ-OAHLLOKOSA-N 458.556 1.328 30 10 JDEE CO[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C[C@H]1NC(=O)OC(C)(C)C 2255634241 OATHSSDRSRPRHE-ZIAGYGMSSA-N 453.370 1.806 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H](O)C1 2255942802 PATCQBOVKFJFTB-QWHCGFSZSA-N 474.410 1.306 30 10 JDEE C=C(CS(=O)(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CO)C1)B1OC(C)(C)C(C)(C)O1 2255953334 HMBWGFHESDUNAR-HOTGVXAUSA-N 460.402 1.711 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256611869 ATKZGALKUUCPFM-CYBMUJFWSA-N 453.370 1.694 30 10 JDEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H](O)CNC(=O)OC(C)(C)C 2256612074 BRYCILZMQATCSE-GXTWGEPZSA-N 455.386 1.847 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267483106 NSUDFGSSQHUNDZ-HOCLYGCPSA-N 450.341 1.927 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267715612 ZUSWNGZFUVBLQY-AWEZNQCLSA-N 470.401 1.349 30 10 JDEE Cn1nc(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2269068536 KEPZDNMOQRTNPY-AWEZNQCLSA-N 463.727 1.773 30 10 JDEE Cc1c(C(=O)N2CC[C@H](NC(=O)C(F)(F)F)[C@@H](C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281798631 KNNXFWZEUQBGFD-AAEUAGOBSA-N 458.290 1.557 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1 2281955859 QBJZXWTVENOQFW-GJZGRUSLSA-N 463.388 1.928 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)n1 2281957462 MIYJTGVMIRMHTD-KOSHJBKYSA-N 451.380 1.708 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H]2OCCN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)[C@@H]2C1 2282184736 XGAMOLSQGVBBJE-QZTJIDSGSA-N 459.352 1.841 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282312832 CCCQHZVKMKESDJ-CVEARBPZSA-N 486.371 1.695 30 10 JDEE CC[C@H]1[C@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1C(=O)OC(C)(C)C 2282340467 GIKPPJJDSVMVHJ-CVEARBPZSA-N 484.428 1.786 30 10 JDEE CCN(C(=O)OC(C)(C)C)[C@H]1CCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282497358 OSHSPTFNBYGDBW-HNNXBMFYSA-N 484.428 1.739 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2CN(Cc3ccccc3)CC2(C)C)n1 2282503374 ZBPBSKNOIKSOCH-LJQANCHMSA-N 474.436 1.908 30 10 JDEE COCC[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C)NC(=O)OC(C)(C)C 2282587462 MRRQCHVNHJUFGR-HNNXBMFYSA-N 466.388 1.687 30 10 JDEE Cn1cc(C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282588810 XDUFRODLYFTWPW-PMACEKPBSA-N 452.364 1.445 30 10 JDEE Cc1c(C(=O)NC[C@@H]2COCCN2Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282598552 OFMSGHWYTUNETC-LJQANCHMSA-N 454.380 1.659 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1C[C@](F)(CNC(=O)OC(C)(C)C)C1 2282853918 LBDBKURIZFXKIK-NXHRWCDGSA-N 488.391 1.393 30 10 JDEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)CNC(=O)CNC(=O)OC(C)(C)C 2283955397 DSFOPSFQRKBZEM-UHFFFAOYSA-N 461.368 1.585 30 10 JDEE Cc1cc(NC(=O)[C@@H]2[C@@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2284049174 RMKGWIQFHWQWGT-SQNIBIBYSA-N 462.352 1.574 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2284135838 VCMFKCBOFXZNTH-USXIJHARSA-N 463.340 1.051 30 10 JDEE CC(C)(C)OC(=O)NCc1cn(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)nn1 2287189962 SPFGLOSCQNJSJM-UHFFFAOYSA-N 478.384 1.489 30 10 JDEE COc1ccc(C=C2Oc3cc(OCC(=O)N[C@H](CC(N)=O)C(=O)O)ccc3C2=O)c(OC)c1 2297473299 XYKJTDUIRIHHPG-MRXNPFEDSA-N 470.434 1.144 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CCOC[C@]2(CO)CNC(=O)OC(C)(C)C)n1 2362156213 FZDOZPGCWZVPQR-HSZRJFAPSA-N 463.384 1.782 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)n1C 2362331217 GRNMCLJYJHINDY-OALUTQOASA-N 498.389 1.841 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C 2362457646 VBLIJKIUWMTMKD-CQSZACIVSA-N 464.372 1.821 30 10 JDEE COc1ccc(CNC(=O)CSc2nnc(N/N=C/c3ccc(N(C)C)cc3)n2N)cc1 20527618 RQZMDTXWDBATFH-ZMOGYAJESA-N 454.560 1.921 30 10 JDEE CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@@H](OS(=O)(=O)c2ccc(C)cc2)CO[C@]12COC(C)(C)O2 22056651 MJMXIHAIFBPIKU-JPLJXNOCSA-N 458.485 1.442 30 10 JDEE in-vitro CCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cnn(CCOC)c3)n2)s1 59886975 NXODXONYLVCUSE-OMCISZLKSA-N 468.594 1.788 30 10 JDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccccc2[N+](=O)[O-])[C@@H](C#N)C(=O)N3)CC1 72444612 MQOFLMUTWMZOLC-ZBFHGGJFSA-N 466.454 1.681 30 10 JDEE Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O 575417878 ZRXRMGPMLDOOKN-YILQHCAESA-N 492.506 1.074 30 10 JDEE N#Cc1cccc(COc2cccc(NC(=O)C(=O)NCCCN3CCCS3(=O)=O)c2)c1 608798599 TUGYEFFANSRYLT-UHFFFAOYSA-N 456.524 1.618 30 10 JDEE COc1cccc([C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)N(C)C)c1 616172798 SZUSTWRRFITNIE-NRFANRHFSA-N 471.583 1.886 30 10 JDEE C#CCN(C(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1)[C@@H]1CCS(=O)(=O)C1 729335593 RWJZGNCHHJUOBG-MRXNPFEDSA-N 451.549 1.113 30 10 JDEE C#CCN(CC(=O)O)C(=O)c1cn(CCNC(=O)OCC2c3ccccc3-c3ccccc32)nn1 757338366 IJPNYLLKLHYZLA-UHFFFAOYSA-N 473.489 1.977 30 10 JDEE C#Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2cc(C)ccc2Br)cc1 1211781440 PMGJSTUPUKAEAX-UHFFFAOYSA-N 457.371 1.996 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(-c2ccccc2)no1 1286294600 DWFDFGLXWFVKLE-OXJNMPFZSA-N 470.555 1.772 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCc2ccccc2C1 1286295345 IJYZRUZBWBBYTM-RXVVDRJESA-N 472.615 1.127 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1286388308 NCJCXIJLJXKZOT-MSOLQXFVSA-N 476.555 1.004 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1286388589 RWPUQAIHEPNIJH-MRXNPFEDSA-N 456.977 1.270 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286394263 HYKSNAVPSMOXPN-MFSJNOQSSA-N 483.594 1.907 30 10 JDEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286421674 GDRDBTAPVYNDQW-QHCPKHFHSA-N 452.580 1.761 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCCCC1 1286432111 XSPYRLJQJNOTEA-FQEVSTJZSA-N 476.647 1.338 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCOCC2)c(F)c1 1286459870 VPSGLAJDVFWLBP-UHFFFAOYSA-N 453.522 1.789 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCCN2CCCC[C@H]2C)CC1 1286472026 PXWZEYJBRPSZRV-WOJBJXKFSA-N 465.668 1.298 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)on1 1286557438 VHQQIJHASSFIFJ-UHOSZYNNSA-N 480.591 1.525 30 10 JDEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1286631108 ZAXWMFCGDXJVQQ-GJZGRUSLSA-N 468.942 1.980 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1286672002 DTEGOQHNZLBGML-WOJBJXKFSA-N 496.678 1.372 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1286699232 ANAFWVVSKRBFFP-VQTJNVASSA-N 482.651 1.126 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCS(=O)(=O)C1 1286749009 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C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1300494957 ANLFEEQLUFQYFL-MOPGFXCFSA-N 474.583 1.864 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1300495112 CWMBIKNENLXMAN-ZWKOTPCHSA-N 451.593 1.309 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCN(C)C 1300583632 IZSUJIPXUBOPOA-HXUWFJFHSA-N 474.606 1.628 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCn2cncn2)CC1 1300717062 XBMQLJSPPPHPPG-QGZVFWFLSA-N 466.521 1.815 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccco2)N(C)C)CC1 1300723636 YFOVBNRBDXIFIA-QZTJIDSGSA-N 453.547 1.091 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1300729304 UVGGHVINCXRYCK-RXFWQSSRSA-N 483.661 1.877 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1301567033 FEIJSIKGMPEAHM-INIZCTEOSA-N 480.566 1.599 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(CN2CCOCC2)CC1 1301588331 YBQQKLDXWSMWAI-UHFFFAOYSA-N 474.631 1.413 30 10 JDEE 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494.577 1.654 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1358960206 ZIYIUCLGARFKPA-INIZCTEOSA-N 489.598 1.361 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358962151 LEXCYGXOTIBKOC-QGZVFWFLSA-N 474.587 1.800 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1358964179 VCGAYFGPOQMCMV-BRWVUGGUSA-N 475.537 1.293 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1358965800 BIBHZQMJOLVPQB-WMZHIEFXSA-N 474.583 1.252 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1358967863 UOLUOPIAUUNFJZ-SJORKVTESA-N 477.974 1.416 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC(F)F)OCO2 1358969221 JMEJSQGVWGMOBP-ZDUSSCGKSA-N 481.481 1.340 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(OC)cc2OC)CC1 1359036325 TYVYABSLNZPWEG-LJQANCHMSA-N 473.599 1.195 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 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1690683541 NJNFVWHYZYWBBQ-GOSISDBHSA-N 474.587 1.255 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cscn2)CC1 1690724405 OGPDRKGBICUNOY-MRXNPFEDSA-N 452.606 1.162 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(C(N)=O)CCOCC1 1692659391 FWDQNFJVTDLHSY-HNNXBMFYSA-N 473.965 1.882 30 10 JDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN(C)CC(F)(F)F 1696335786 CHQNVEUWZDXSKQ-HNNXBMFYSA-N 467.500 1.685 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CC(=O)N(CCOC)C1 1705478669 FKRUFYJJYZLEFT-FUHWJXTLSA-N 487.630 1.499 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(OC(F)F)c1 1705495676 TUPQJGHDPCIZPF-KSSFIOAISA-N 499.540 1.727 30 10 JDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705532294 KSSAKYJQFQQLMF-UHFFFAOYSA-N 486.646 1.726 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1705564825 CYCLFJXDJVAIFC-QGZVFWFLSA-N 498.609 1.370 30 10 JDEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1705565193 TUAHJOROKAMELU-QGZVFWFLSA-N 473.580 1.165 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@]2(OC)CCOC2)CC1 1705643034 QKDWYAMVVUNTPY-XMMPIXPASA-N 455.559 1.817 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1705649136 LQWQPNOZDROPIY-UHFFFAOYSA-N 489.555 1.804 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCNC(=O)C(C)(C)C)CC1 1705650674 WSJOHLFRTNMHGO-UHFFFAOYSA-N 471.631 1.762 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1705687903 LGHWSZGNWMFZOS-CQSZACIVSA-N 450.341 1.816 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(C(F)(F)F)CC1 1705696862 IRFGGBHAVSKFLM-KKUMJFAQSA-N 481.541 1.763 30 10 JDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1705724717 KBMNUBJDEKILGD-OAGGEKHMSA-N 462.551 1.555 30 10 JDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705832442 XWSFKBMFOJIIGI-HXUWFJFHSA-N 470.578 1.499 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705890884 OGUSUZBYOXDXGY-HZPDHXFCSA-N 475.550 1.245 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705896387 KYNFBCILSGFOAO-IBGZPJMESA-N 467.530 1.023 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705897515 NNZVZGFOPJEEHW-MSOLQXFVSA-N 461.588 1.960 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1705898795 XYXWCFBMLWXYGZ-CJNGLKHVSA-N 477.451 1.379 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)CCC(=O)NC 1705931116 GJHVBEQPTHQAKH-UHFFFAOYSA-N 473.397 1.219 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705933122 UZKFNQGGTPZUBB-INIZCTEOSA-N 493.586 1.840 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1722291770 GUCSBKMUEDJCMQ-HNNXBMFYSA-N 456.510 1.675 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC2(S(C)(=O)=O)CCC2)c1 1722306388 QZYGNPVSFFYTKF-UHFFFAOYSA-N 486.598 1.440 30 10 JDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cncc3ncnn23)CC1 1722321272 BEYQVVLVVDIUFO-UHFFFAOYSA-N 450.551 1.374 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1722365242 MDKOUNKKCHVNQT-AEFFLSMTSA-N 463.629 1.862 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC(C)(C)C1 1722414129 WBBODYRXXHXLKJ-SFHVURJKSA-N 452.625 1.193 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OC(F)F 1722429666 UYDLMPCHPVBTDF-INIZCTEOSA-N 454.499 1.916 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCC[C@@H](C)C2)CC1 1722453579 YLKLATHQCWHMBW-HJNYFJLDSA-N 472.634 1.700 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(CC)C1 1722629356 KDHKHJMPVLGKRL-PXNSSMCTSA-N 457.597 1.209 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1722686083 RNUFYQOYMFRQKF-PXNSSMCTSA-N 451.524 1.034 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1722701114 GPDTZUONJCMMHS-UHFFFAOYSA-N 499.641 1.903 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1722701475 QWPCOGIZIUDOGV-UHFFFAOYSA-N 466.586 1.441 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@H](C)N(C)C 1723951845 FSGWHOCSTVFTLG-HOTGVXAUSA-N 495.053 1.690 30 10 JDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCNS(=O)(=O)c1ccc(C)s1 1727647913 BGOKJGGXLQPMMG-SFHVURJKSA-N 499.622 1.880 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cn(C)nc1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 1740616136 UAIRDGYGRGJJCN-FQEVSTJZSA-N 495.609 1.492 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ccn(C)n1 1740684171 KVCCCRWCVNJSFJ-UHFFFAOYSA-N 460.542 1.933 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1740690087 NGDXILUFQSIPET-FQEVSTJZSA-N 499.641 1.184 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCCN2CCCO)CC1 1740708639 WYCQUDPZHKOSFN-JOCHJYFZSA-N 456.635 1.823 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1740719884 MQCIWWQLOUIZHJ-INIZCTEOSA-N 458.592 1.342 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)(F)F 1740761412 NOVCXOJXBPTJCH-PMPSAXMXSA-N 481.541 1.981 30 10 JDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1740883405 SMFVFNNWGSNSDV-IBGZPJMESA-N 478.619 1.507 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740954671 QPJHHBWMWCZKJQ-UHFFFAOYSA-N 472.571 1.759 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1740985188 DEXQGZYNSKNAEJ-UHFFFAOYSA-N 494.662 1.636 30 10 JDEE COc1ccc(C2(Cn3c([C@@H](C)NS(C)(=O)=O)nnc3N3CCO[C@@H](C#N)C3)CCC2)cc1 1748601019 GGXMXLNYAHMJQN-APWZRJJASA-N 474.587 1.748 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[C@@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748817488 LKGJVLJZVSRHPR-QLFBSQMISA-N 450.483 1.376 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCNC(=O)c1ccc(C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1748823806 BRZYEUPREZYKEH-UYAOXDASSA-N 489.573 1.634 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C(=O)NCC)CCC1 1748842944 WKWJSZOTZDLGPD-UHFFFAOYSA-N 457.538 1.571 30 10 JDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN1CCN(C)C(C)(C)C1 1748960374 JFMXCSPMVVWWBF-UHFFFAOYSA-N 457.579 1.118 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1748971487 ROMLDABNIIPQQV-UHFFFAOYSA-N 479.629 1.896 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1748979663 IJUHHGMCTMMACX-IBGZPJMESA-N 482.585 1.212 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(CC)CCS(C)(=O)=O 1749118954 LMLMYWRFWJWPFH-WMZOPIPTSA-N 462.576 1.778 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1749630704 ZCYSIOFRTOFSLA-IBGZPJMESA-N 495.650 1.398 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCN(C(=O)NC)CC1 1749657782 FTUYRGHGGQYKLY-UHFFFAOYSA-N 479.541 1.881 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](CCc2ccccc2)C1 1749677692 IEXVKGIFDZGGKL-HXUWFJFHSA-N 452.559 1.541 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749680952 UWIQJALAZLBXKM-UHFFFAOYSA-N 482.994 1.284 30 10 JDEE C=CCSCCn1c(C2CC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1749755266 XWNPCNQGGZKTKR-UHFFFAOYSA-N 451.622 1.628 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCNS(=O)(=O)Cc1ccon1 1760115214 AYWBEBKVCYCIJQ-CQSZACIVSA-N 464.498 1.713 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760144020 AJVFBTIDITXMRJ-UHFFFAOYSA-N 450.547 1.083 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC(F)(F)F)cc1 1760175590 NCMSWIZIDBGWQS-KRWDZBQOSA-N 487.504 1.670 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1760180969 NUQKOBWKZHBVQL-GCJKJVERSA-N 460.556 1.386 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1760187624 XGJXWHWEGCOYDW-KURKYZTESA-N 452.602 1.163 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760189232 SSIKOUTZAIEADY-HLAWJBBLSA-N 475.590 1.851 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F 1760479842 BYOTXNFWNKALOR-QGZVFWFLSA-N 496.515 1.923 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCS(=O)(=O)C1 1760481823 IREYRBRCANEGOS-IEBWSBKVSA-N 481.644 1.906 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cc(C)oc1C 1760495443 OCCDOKAUJAGMFT-SIKLNZKXSA-N 479.603 1.907 30 10 JDEE COCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1769190211 CYFLJNQXEOEDRY-UHFFFAOYSA-N 478.557 1.988 30 10 JDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1769547777 BGTGGRLSOHBFTK-FNZWTVRRSA-N 495.628 1.737 30 10 JDEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CCOC1 1769761893 DASSXNWDLLLTGV-XMSQKQJNSA-N 474.587 1.388 30 10 JDEE N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCS(=O)(=O)CC2CC2)CCO1 1770746399 DHLKNUSXKXNSEU-SFHVURJKSA-N 492.989 1.415 30 10 JDEE C=CCn1c(C(=O)NCCc2ccc(OCC)c(OCC)c2)cc2c(=O)n(C)c(=O)n(C)c21 1873599240 NDQKWHIHRICKKY-UHFFFAOYSA-N 454.527 1.995 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](NCc2occc2B2OC(C)(C)C(C)(C)O2)[C@H](S(C)(=O)=O)C1 1877657058 AARHCEVSRKQJPT-DOTOQJQBSA-N 470.397 1.701 30 10 JDEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)COC1 2255635940 NMVILJMBUHGSKZ-UHFFFAOYSA-N 453.370 1.713 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255843512 HYOSVMUBGHYFPP-CYBMUJFWSA-N 453.370 1.808 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H](F)CN(C(=O)OC(C)(C)C)C2)n1 2267111553 UMZPANVJPMMXDJ-CHWSQXEVSA-N 453.324 1.192 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2267160130 VAQAVRNJHNLFPJ-BJKJVOPESA-N 465.381 1.853 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)n1 2267505920 PLHONBJMSRBHGE-RBUKOAKNSA-N 484.362 1.533 30 10 JDEE CO[C@@H]1C[C@@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267525114 ZWINPZQSWUZFPP-UONOGXRCSA-N 450.345 1.463 30 10 JDEE CN1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)CC1=O 2268643454 KMKISMNBJHRWSS-GFCCVEGCSA-N 466.369 1.459 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)[C@H]3CCC[C@@H]23)n1 2281955109 GXTBDVCXEHXFGL-ZNMIVQPWSA-N 461.372 1.632 30 10 JDEE Cn1cc(C(=O)N2CCCO[C@@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281966164 NVDQBEKGONPAFA-HNNXBMFYSA-N 464.372 1.475 30 10 JDEE CC1(C)OB(c2c[nH]nc2C(=O)NC[C@@]23CN(Cc4ccccc4)C[C@H]2CCO3)OC1(C)C 2281984692 DUVYMYSRHNUZPG-HOYKHHGWSA-N 452.364 1.730 30 10 JDEE CCn1cc(C(=O)N2CC[C@H](NC(=O)C(F)(F)F)C[C@@H]2C)nc1B1OC(C)(C)C(C)(C)O1 2282039663 YMMAGOSKHGZGDJ-STQMWFEESA-N 458.290 1.874 30 10 JDEE C[C@H]1C[C@H](N(C)S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN1Cc1ccccc1 2282287048 UCXKXTHRXSWJAV-WMZOPIPTSA-N 475.424 1.398 30 10 JDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H](O)C1 2282350360 LUHVLVPCQHWDAS-QGZVFWFLSA-N 482.408 1.588 30 10 JDEE 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1.046 30 10 JDEE C=C[C@H](C)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(CC)CC1 1196555385 GBNXBCUECSUPQU-KRWDZBQOSA-N 451.593 1.545 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1286322618 GECWTTMFDFAHAY-AZUAARDMSA-N 475.619 1.217 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1286381979 PXOFJXDPDITUDO-FPOVZHCZSA-N 492.690 1.944 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1286384058 PFCBKDLNAUWVQR-UTKZUKDTSA-N 479.990 1.654 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCN1CCCO 1286432177 ZWSRGJABGUFDBM-HSZRJFAPSA-N 476.629 1.762 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1286473561 PVBMPPGNHYVFMT-AZUAARDMSA-N 457.600 1.655 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2COCCO2)CC1 1286486641 HEPPSPDTMHQIEJ-OAQYLSRUSA-N 469.542 1.344 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1286511042 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C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@@H]2C1 1300363852 HELUKIOPIYCTMM-PMACEKPBSA-N 474.606 1.911 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300482142 DELGISSVTLEOJS-ZWKOTPCHSA-N 454.593 1.446 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1300483166 JDADSKAQYWFKTO-REWPJTCUSA-N 473.599 1.583 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1300501283 IOORSZZQMRSGGP-HXUWFJFHSA-N 468.583 1.617 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1300504277 KZOLOJDQNOXDBG-FQEVSTJZSA-N 468.583 1.451 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CCN1CCN(C(C)=O)CC1 1300595886 SDLCYKFAPXTQCE-UHFFFAOYSA-N 464.570 1.493 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCC(=O)Nc2ccccc2)CC1 1300710848 NVJDRQYICXWWDE-UHFFFAOYSA-N 465.558 1.411 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)NCC(F)F)CC1 1300717136 ZOIKLLTWVDNCIS-UHFFFAOYSA-N 498.332 1.383 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncn(C)n1 1301355548 YULQSJLJTWUKFS-GOSISDBHSA-N 490.565 1.120 30 10 JDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(CCOC)[C@H](C)C1 1301467131 JTKUAOFHFLMGJK-JOCHJYFZSA-N 453.635 1.986 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1301506061 GJKXKSDGJLWAJT-UHFFFAOYSA-N 461.526 1.234 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H]2c2nncn2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301518979 LFQKVASSKDFMEP-BBWFWOEESA-N 485.593 1.821 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCCN(CC)C(=O)C1 1301520497 ZBTGHCDGZWAJGF-UHFFFAOYSA-N 458.588 1.940 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@H]1CCCN1CCCO 1303414007 GDNGONDOYLATNM-FCHUYYIVSA-N 481.601 1.713 30 10 JDEE C#CCN1CCC[C@@H](NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1313293238 XLFTVDTWZCMCOB-MKXGPGLRSA-N 461.563 1.308 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2cc(C)oc2C)CCO1 1315015503 ICUZGIUZQKPHJA-SQJMNOBHSA-N 494.552 1.798 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1358958144 IKNCBWAIILOMHM-QZTJIDSGSA-N 450.948 1.641 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1358967578 NMLPVKPAYRQBBJ-RTBURBONSA-N 490.582 1.298 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCN/C(O)=C1\N=CC=CC1=O 1358979328 JJTHGZXWVFWMFE-VLMSHNLISA-N 458.478 1.390 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCCn2cc(CO)nn2)CC1 1359032900 IFVZYHLIBWOHAJ-UHFFFAOYSA-N 485.390 1.637 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1359037893 BLKJUXOSULXPSL-UHFFFAOYSA-N 459.595 1.413 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCn2cc(Br)cn2)CC1 1359040092 HMLRRYJFDZXNJB-WMZOPIPTSA-N 478.395 1.417 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1359060214 NWRUFWXMDDEBMK-AUSIDOKSSA-N 498.701 1.885 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cnn(C)c2)CC1 1359091480 NTLULARXJVQAFU-QRFRQXIXSA-N 477.635 1.987 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359098113 XSMCRJYUYAAHFW-APWZRJJASA-N 461.592 1.577 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1359332592 BKMPOVGZDPFYDI-IBGZPJMESA-N 465.620 1.612 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H]3CCCN3C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1359335745 TVXOPEFSINNMNR-IPJJNNNSSA-N 467.636 1.592 30 10 JDEE CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1458014881 AROYFJLTZWZNOE-UNMCSNQZSA-N 451.546 1.929 30 10 JDEE C=CC[C@]1(C(=O)NCC(=O)NCC(=O)NCc2ccccc2)CCCN1C(=O)OC(C)(C)C 1462700569 QMOLTYKONDBRHJ-XMMPIXPASA-N 458.559 1.881 30 10 JDEE Cc1ccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1N1CCCS1(=O)=O 1465692890 GTTCGTAQVMVMKM-MRXNPFEDSA-N 455.544 1.939 30 10 JDEE CC[C@@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)c1ccccc1OCC(=O)NC 1468086969 FJIAVSCNDYEELL-FUHWJXTLSA-N 451.531 1.844 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 1473278083 CNVVBKPNXRFUHO-SFHVURJKSA-N 453.591 1.546 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1507635144 SYRSJVBKMHQDDQ-FQEVSTJZSA-N 469.567 1.987 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](C)Oc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1507639074 JDMDMNBWXGNMQR-UXHICEINSA-N 485.610 1.803 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1507651833 DTFJQMBMIQLDPQ-RUZDIDTESA-N 460.538 1.943 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccccc2C)CC1 1507738364 OCBUKUYUCQMING-LJQANCHMSA-N 450.543 1.582 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)CCCS(C)(=O)=O 1507797677 DZFNGCDQXGFPGL-DNVCBOLYSA-N 465.576 1.858 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N2CCCCC2)C1 1507844203 DXZFRFUDDPCYJY-WOJBJXKFSA-N 482.651 1.268 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCO[C@H]1C 1508007782 IAWOJSXFNNNGFR-RZQQEMMASA-N 452.602 1.974 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(c2ccnn2C)CC1 1508142769 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C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1539488499 KPZVDXJPYQEVIU-RXFWQSSRSA-N 481.597 1.980 30 10 JDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)=O)C[C@H]1C 1539510191 GBXQHPGHVQLWGF-MRXNPFEDSA-N 475.644 1.662 30 10 JDEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(OCC(N)=O)CC1 1539606552 IEWRQJVILNTATN-UHFFFAOYSA-N 483.392 1.649 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1539618739 ALISXKUTLXVRPB-QQXKLLMISA-N 481.619 1.694 30 10 JDEE C=C(C)COCCn1c(CC2CC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1539758600 PHEJVEFMQDCTBK-QRVBRYPASA-N 495.646 1.950 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1540036892 WHSZZRWZJXONBH-ROUUACIJSA-N 464.592 1.923 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@]2(CNC(=O)C2)C1 1540864662 HNUHWUHLWBNRKS-FQEVSTJZSA-N 477.338 1.865 30 10 JDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1540898276 FHMOSHCRIRNPSN-UHFFFAOYSA-N 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C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(C=C)cc1)[C@H]1CCS(=O)(=O)C1 1760180717 JWHIQCVPMOGJQA-PXNSSMCTSA-N 491.639 1.401 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)CN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1760184294 IMNMUNFYKHYCHG-RTWAWAEBSA-N 485.658 1.240 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(=O)NCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760186164 BAAGRFPMLFHEOE-RTWAWAEBSA-N 485.610 1.505 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760186267 LNFWMJBYIKUASW-RTBURBONSA-N 484.644 1.014 30 10 JDEE C#CCN(c1nnc(CC)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760187916 YTWJLWYEETWLPN-AKHDSKFASA-N 493.630 1.492 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(=O)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1760190089 XZBKGCRDGGLAEO-SFTDATJTSA-N 485.610 1.805 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)c(OC)c1 1760219550 HOIOHLXCXRJYHE-OAQYLSRUSA-N 471.583 1.439 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCOCC1 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458.386 1.824 30 10 JDEE CC(C)(C)OC(=O)NCCN1CCN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2267173976 QMSZHOCZIKCJKY-UHFFFAOYSA-N 466.413 1.725 30 10 JDEE Cc1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C2)oc1B1OC(C)(C)C(C)(C)O1 2267189927 HNRAMMHGIWUWAY-LSDHHAIUSA-N 450.341 1.987 30 10 JDEE CC(C)(C)OC(=O)NC[C@H](CO)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2267464427 HVYGMVLMZZFLFT-CYBMUJFWSA-N 490.815 1.803 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCC1(NC(=O)OC(C)(C)C)CC1 2267715003 QMCDPNMXZISRNZ-UHFFFAOYSA-N 470.401 1.445 30 10 JDEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282301999 JAZBIJOLQBCXOY-DOMZBBRYSA-N 477.314 1.601 30 10 JDEE CC(C)(C)OC(=O)NC1CC(O)(CNS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282343218 CSLSOLKRGITPOK-UHFFFAOYSA-N 482.408 1.682 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](S(C)(=O)=O)C1 2282533298 JLKAAEANXJFUBI-GJZGRUSLSA-N 484.380 1.341 30 10 JDEE 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C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1286393226 PWSDLVZVGUITSU-MRXNPFEDSA-N 462.626 1.960 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCc2ccccc2C1 1286397922 RICQGFMVHMEKNM-MOPGFXCFSA-N 454.600 1.408 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CCCC 1286411203 ZVHDZSAFROAFRE-SFTDATJTSA-N 476.647 1.338 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F 1286764302 LFBFYNALYYREDL-CQSZACIVSA-N 475.493 1.687 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1286784450 HSQCJGFORYQRJC-UHFFFAOYSA-N 473.541 1.634 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)N2CCCCC2)C1 1286799859 BAEJNQOMSOWRPS-MSOLQXFVSA-N 454.641 1.934 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](N2CCCC2=O)C1 1286815244 PKJCYFHFZBINQZ-HNNXBMFYSA-N 497.419 1.838 30 10 JDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1286829935 HEOMMSZKSVEJEC-QGZVFWFLSA-N 472.619 1.972 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(S(C)(=O)=O)cc1 1286958799 BPXUAQUBIJYJLX-HNNXBMFYSA-N 453.528 1.973 30 10 JDEE CCNC(=O)C1(Cn2c(COCC)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)CCC1 1296267247 HCLYGRKJXPCUCE-KRWDZBQOSA-N 467.578 1.498 30 10 JDEE CN(C)c1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)cn1 1298060451 HTDFZENTGFBTAV-MRXNPFEDSA-N 452.544 1.508 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1300483340 KSLALAHJEIZPCV-RDPSFJRHSA-N 488.610 1.808 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1300492952 PSNBWSWAULADMS-SFHVURJKSA-N 452.540 1.727 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(n1)CCCC2 1300578549 MENMKPWPLYMKFG-JOCHJYFZSA-N 482.610 1.396 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1300672118 WAZACOHVKOVAAD-IAGOWNOFSA-N 469.608 1.427 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCN2CCOC[C@H]2C)CC1 1300686062 WYBBVWJKPOLUKU-QGZVFWFLSA-N 476.423 1.522 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCC(C)CC2)CC1 1300717116 YVMGRUPFPFVSNB-VWLOTQADSA-N 472.634 1.628 30 10 JDEE C=C1CCN(c2nnc(-c3noc4c3COCC4)n2CCCN(CC)S(C)(=O)=O)CC1 1301079319 DWMIHMXHDZODHX-UHFFFAOYSA-N 450.565 1.834 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CNC(C)=O)CC1 1301189196 SOWPWAFQNMLDEY-LJQANCHMSA-N 468.624 1.320 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1 1301531152 DILZUQJXCBUNEO-NRFANRHFSA-N 491.614 1.433 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCn1cccn1 1301588867 KXAFXKIWKRRPEX-LJQANCHMSA-N 458.544 1.724 30 10 JDEE COCCN(C(=O)CN1CCC[C@](C)(C#N)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1307601343 GLVNSOXJOWKTKT-HSZRJFAPSA-N 454.531 1.184 30 10 JDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1313557038 BJFPWIDGTKDCET-JOCHJYFZSA-N 492.584 1.926 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1314001692 HNFRSCQOFVZZND-CTNGQTDRSA-N 485.614 1.593 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](Cc1ccccc1)OC 1358890032 KFABRHAVSCDPSZ-DFQSSKMNSA-N 461.588 1.327 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1358956727 JYBSSEBDKWMWTO-ICPLQIHGSA-N 491.614 1.965 30 10 JDEE C#CCN(c1nnc(-c2ccc(Br)s2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1358958127 IEEPMDLLVMCMIS-LBPRGKRZSA-N 486.417 1.484 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1358959255 FMNDUHRDYVYUTI-ZDUSSCGKSA-N 455.462 1.092 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1359048027 CGMSUFFKHCHYIV-UHFFFAOYSA-N 472.619 1.163 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCS(=O)(=O)NC 1359069478 MXUZHHPKYLUFMF-HSZRJFAPSA-N 483.598 1.606 30 10 JDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359219020 CWXRGECCFDTIAV-HNNXBMFYSA-N 457.560 1.709 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(Nc2cc(OC)cc(OC)c2)CC1 1359291550 VEJHCHCEKBZFCZ-UHFFFAOYSA-N 497.600 1.914 30 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QOTYCEBHSSWVHC-QGZVFWFLSA-N 454.531 1.636 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1508048401 RMJZYQQGBMZNGR-KRWDZBQOSA-N 459.576 1.422 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1508080557 PPXMHHCYUWHNAB-UHFFFAOYSA-N 458.567 1.817 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1508130189 GPRJDDHZTQZWJD-APWZRJJASA-N 461.588 1.955 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1508139762 DNMNLSBOQFEXRH-BHIFYINESA-N 494.706 1.768 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3cc(Br)cn3C)nnc2N2CCC(C#N)CC2)CC1 1508275666 KCWAMISLRDFLAC-UHFFFAOYSA-N 489.422 1.950 30 10 JDEE CCOc1cc(C)ccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1516243442 CIWKVBKILPUEHV-YLJYHZDGSA-N 476.603 1.962 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1539231589 UDALXBRUFAYOIY-ACRUOGEOSA-N 458.584 1.986 30 10 JDEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1539231679 UYDJSOQRJZEDDM-WNRNVDISSA-N 481.619 1.710 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(CCC(C)C)CC1 1539368871 CHTNPWYNIOPKOA-NRFANRHFSA-N 480.679 1.829 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCCC)nc1 1539369493 LUIHZXWYEFAICM-SFHVURJKSA-N 462.576 1.303 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(CN(C)CC)c2)CC1 1539432245 ZFUJBDIUPVTRFT-IBGZPJMESA-N 473.647 1.144 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCNS(=O)(=O)CC)CC1 1539474588 VALVBYINKFRIIC-UHFFFAOYSA-N 472.615 1.413 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCN2CCN(Cc3ccccc3)CC2)CC1 1539482597 NJOZEYWEIXZCIB-UHFFFAOYSA-N 463.630 1.624 30 10 JDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539504535 JGKJIEMAZYYXET-UHFFFAOYSA-N 488.017 1.631 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(S(C)(=O)=O)CC1 1539614726 BMXHJWIUURGPKT-HKUYNNGSSA-N 482.651 1.649 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC2CCOCC2)CC1 1540867395 VBAXAWWPXXMLTI-UHFFFAOYSA-N 484.601 1.813 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](N3CCCC3=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540908550 IXJVORBFZKHCQR-PGRDOPGGSA-N 481.619 1.121 30 10 JDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1540915549 MCLICXASMIOZFM-UYAOXDASSA-N 469.615 1.497 30 10 JDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C 1552408904 HOJCIFGGHMRCJW-HOTGVXAUSA-N 464.617 1.998 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2ccnn2C)CC1 1554503222 AYIASEQTZXRWBT-UHFFFAOYSA-N 454.560 1.483 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCN2CCCS2(=O)=O)c1 1587697522 RJMVPWUXCHGGBS-LJQANCHMSA-N 472.571 1.221 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCOCC2CCOCC2)CC1 1588865641 ZKWNTBDTFYSIHT-UHFFFAOYSA-N 455.607 1.728 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCCN2CCN(CC)CC2)CC1 1588871787 PYRQSPZTAVMYGY-UHFFFAOYSA-N 469.609 1.779 30 10 JDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1588876719 GUCKVOUBDJAHLE-SFHVURJKSA-N 475.640 1.769 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2scnc2C)CC1 1588961728 KCAGFUDIYHIULN-UHFFFAOYSA-N 455.588 1.374 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1589578642 HXAQEWCWWPEWQB-XQQXVUDOSA-N 463.579 1.251 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCCC1 1595303602 VWIWNENWYQHZRH-SFHVURJKSA-N 471.624 1.335 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1595476133 IGPQFXRJOLPQFG-GOEBONIOSA-N 459.938 1.588 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1595477056 QGRJOOFAYDFSES-INIZCTEOSA-N 494.593 1.720 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1595593323 AHRKZAUEFSWLCJ-GAJHUEQPSA-N 457.531 1.552 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)c1 1622268423 RTMOKPYNEARAMH-IBGZPJMESA-N 457.552 1.620 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)CCNS(=O)(=O)c2ccc(C)cc2)cc1 1628926665 ONVOAZUCXKINSV-UHFFFAOYSA-N 451.570 1.510 30 10 JDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]1(CO)CNC(=O)OC(C)(C)C 1633073639 KHFYYEBQUGJUQX-KSFYIVLOSA-N 455.552 1.408 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCCO2)cc1 1640580896 KMCFAXNRZOOASS-KRWDZBQOSA-N 451.545 1.354 30 10 JDEE C=CCOCCNC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1674730360 HMAWCDJDCWAFBH-ROUUACIJSA-N 451.568 1.766 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2nc3ccccc3[nH]2)C2CCCCC2)CC1 1684853669 OUHYFSZSTNHBQS-FQEVSTJZSA-N 458.588 1.979 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689993424 DERVDDIIWRKTCZ-SFHVURJKSA-N 468.587 1.285 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1690133285 AEFWOGAYMPCFGF-OAQYLSRUSA-N 473.599 1.588 30 10 JDEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(=O)NCC)CC1 1690341176 IDXPMHHQPVRSOY-UHFFFAOYSA-N 481.026 1.249 30 10 JDEE C=CC1CCN(c2nnc(-c3noc4c3COCC4)n2CCOCCS(C)(=O)=O)CC1 1690410779 XFBFPSTWWATUCA-UHFFFAOYSA-N 451.549 1.469 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(C)=O)C1 1690668925 OBBCENQKILHIQA-GOSISDBHSA-N 492.584 1.643 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2OCC)CC1 1690670721 HUUOFUCTPZVFFS-SFHVURJKSA-N 488.614 1.208 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1690712519 XKZYHUAPEQAPAZ-TZIWHRDSSA-N 486.598 1.934 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)OCC)CC1 1690717361 DAQXPENHLCNLII-UHFFFAOYSA-N 463.560 1.833 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(C)C)C1 1690724584 RZRNSWKCJHSDBM-MSOLQXFVSA-N 489.664 1.084 30 10 JDEE Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(S(C)(=O)=O)CC2)c(=O)n1C 1693088952 GZMPHVRVWZVKKM-UHFFFAOYSA-N 466.567 1.886 30 10 JDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)CC1 1697712042 COPKZHTYLBZWHF-UHFFFAOYSA-N 481.557 1.069 30 10 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C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1740993895 JQGIBFKBDQPZKA-QFIPXVFZSA-N 459.572 1.483 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1740994058 IHPNFXFAFLCNIR-HOTGVXAUSA-N 467.617 1.874 30 10 JDEE CN(Cc1ncnn1CC(F)F)c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O 1747802400 HENHRUNXHOFOFY-UHFFFAOYSA-N 450.475 1.354 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1748732037 QTTPDVVMCQFNRY-GOSISDBHSA-N 458.588 1.193 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1748801689 DNUKZRSDJIACQO-LXPRWKDFSA-N 451.593 1.248 30 10 JDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(N2CCOCC2)nc1)[C@H]1CCS(=O)(=O)C1 1748801701 DTHLBMPSYPXLEM-IBGZPJMESA-N 458.588 1.308 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1748805057 NJWMUZPZVSYEDJ-IRXDYDNUSA-N 473.534 1.476 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCN(C)C(C)(C)C1 1748951412 ZLWDCTLHSVZKGX-UHFFFAOYSA-N 488.658 1.461 30 10 JDEE 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JDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1588961773 LNHRDDJYCAJLTM-KBMIEXCESA-N 467.570 1.405 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1588976388 WKYOCBIBNLPORP-UYAOXDASSA-N 496.641 1.281 30 10 JDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(CC)C(=O)C1 1593735404 FRVHFPOUDWJTED-UHFFFAOYSA-N 465.558 1.843 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC1(O)CCS(=O)(=O)CC1 1595085291 UERFHFYFWSMKII-UHFFFAOYSA-N 498.609 1.518 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1595501384 RSTMAJVLZXJARF-SFHVURJKSA-N 471.949 1.667 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1595536733 GHPGEUBJNKGRHG-SFHVURJKSA-N 484.536 1.461 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)C(=O)OCC)CC1 1595760974 VONCNKWHVJWQRW-UHFFFAOYSA-N 470.596 1.074 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC(O)(C(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1595831899 ZGSVLMDLGPTYOE-KRWDZBQOSA-N 482.525 1.425 30 10 JDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1595871181 IYHOUABXWCTYBZ-GOSISDBHSA-N 489.646 1.089 30 10 JDEE Cc1nccn1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1612451645 BOGLPEIALKVWKZ-FQEVSTJZSA-N 469.571 1.947 30 10 JDEE CCCn1nc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCS(=O)(=O)NC)c2ccccc2c1=O 1614897069 DKYZGGYXRYAIQZ-HSZRJFAPSA-N 498.613 1.744 30 10 JDEE CCCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](C#N)C1 1614983559 HZKASVMFAMGIJR-KRWDZBQOSA-N 461.567 1.648 30 10 JDEE CN(C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1)c1ccco1 1617642686 ANIIYPPQTHYHSA-HZPDHXFCSA-N 455.544 1.894 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)Cc2ccccc2)C1 1620346595 DINSDSWFCXAZAB-PXNSSMCTSA-N 481.575 1.237 30 10 JDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1649540585 GGELTRQBVJUOHH-UHFFFAOYSA-N 480.573 1.163 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 1685844110 JFRSGDAZQAYHBJ-UHFFFAOYSA-N 453.952 1.818 30 10 JDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1cn2ccc(C)cc2n1)[C@@H]1CCS(=O)(=O)C1 1689980523 TUWRTOGTXJMOFM-UYAOXDASSA-N 486.598 1.633 30 10 JDEE C#CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=C)C)[C@H]1CCS(=O)(=O)C1 1689988829 WVGJNJLXUITXNX-INIZCTEOSA-N 462.601 1.441 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1689995783 ABMUXAXLMQVFHI-VGSWGCGISA-N 492.623 1.360 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(O)CCS(=O)(=O)CC1 1690027971 FRWRRMGBSZUWHJ-SFHVURJKSA-N 491.614 1.363 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1690092360 FRBBYMXNEHZJIL-SFHVURJKSA-N 455.563 1.171 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)CN2CCOCC2)CC1 1690148446 HTRLQWPLLMAAQZ-FQEVSTJZSA-N 465.602 1.198 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)N(C)c2ccccc2)CC1 1690150695 QPMYYQFBSVSQJG-FQEVSTJZSA-N 477.613 1.891 30 10 JDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1690279760 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C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1705938070 MBKOVUQJNNSZAN-IBGZPJMESA-N 473.599 1.886 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)nnc1C(C)(C)C 1705938993 OUFWPMHHFXETBU-UHFFFAOYSA-N 476.603 1.718 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1722360520 UUYRAXNIATXOBQ-QGZVFWFLSA-N 459.963 1.885 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(CS(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1722360640 BKBUMAINRXXYEA-SFHVURJKSA-N 492.623 1.405 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1722360777 BYRRGDJCFANCJE-RBUKOAKNSA-N 490.582 1.395 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(S(C)(=O)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1722365137 KMIOAJQQKRMHBN-SFHVURJKSA-N 496.680 1.915 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1noc(CC)n1 1722382981 FBKYXGOMVWWAIA-QGZVFWFLSA-N 469.546 1.847 30 10 JDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722416114 ISOJHLDWJSGUNZ-OAHLLOKOSA-N 450.590 1.011 30 10 JDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC1(NC(=O)OC(C)(C)C)COC1 1722426669 FWEWLYJPYUSLDW-UHFFFAOYSA-N 473.578 1.519 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)N(C)c2ccccc2)CC1 1722447859 OCIAXQQOENCACA-NQIIRXRSSA-N 463.586 1.720 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722507989 ZJNHEHFBRGHANA-UTKZUKDTSA-N 480.635 1.242 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@](=O)C(C)(C)C 1722517820 NYPZVRQUHQIIIS-OFJJUDJNSA-N 461.654 1.561 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCOCC1 1722676629 GJSCKOPKTXCANY-GOSISDBHSA-N 477.587 1.257 30 10 JDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)N(CC)CC)CC1 1722686565 KBOOBAAKXGEWHX-UHFFFAOYSA-N 450.547 1.962 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722694279 QHQXBBQCRRWNIN-UHFFFAOYSA-N 472.571 1.854 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](OC)C1 1722696988 GGGSEXNCHSPQBR-MRXNPFEDSA-N 451.531 1.763 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1722702634 NXCBRJPKXGRWQO-RCLSDMTESA-N 490.649 1.866 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCOC1 1722726964 HGSWPGVPHGQJFJ-MRXNPFEDSA-N 472.571 1.501 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722729536 NYJQESOQTGQWOV-NRFANRHFSA-N 487.626 1.606 30 10 JDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1728185911 HBLOVRVKXJEBAX-FQEVSTJZSA-N 485.614 1.737 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCN(C(C)=O)C1 1740546991 MLWWUMXTTJOEQJ-FUHWJXTLSA-N 457.604 1.955 30 10 JDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1740588708 DGHSTRSLPSJEMR-UHFFFAOYSA-N 483.598 1.560 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1740623612 XUFKUCUJJNGIBJ-LJQANCHMSA-N 482.566 1.435 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 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C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748807656 ARJHZLLUDHWFAN-PXNSSMCTSA-N 488.570 1.201 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748811809 LUFNDSOTBMWGAN-LJQANCHMSA-N 459.620 1.427 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1748820100 ZDKMTWZUEANYTF-ROUUACIJSA-N 497.668 1.228 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CCNC(=O)c1cc[nH]n1 1748831501 OFFTXDODIMYRTM-UHFFFAOYSA-N 482.342 1.942 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C)nc(N2CCCC2)c1 1748962398 GXCFZABETPHVSY-HXUWFJFHSA-N 472.615 1.618 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCCC3)nc2)CC1 1748972527 LAWFKPSLGJRUPM-LJQANCHMSA-N 486.646 1.077 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCN2CCC[C@@H](C)C2)CC1 1748979744 KWIZGWMESPFVJM-OAQYLSRUSA-N 499.685 1.683 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCNC(=O)C(C)C)CC1 1748986673 GLBZHNAAVAWTJC-UHFFFAOYSA-N 476.585 1.202 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CCCCCC2)CC1 1749001354 QNKICKOVZQQQKW-UHFFFAOYSA-N 479.585 1.977 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC2CCN(CC)CC2)CC1 1749010719 VTRIFMPGCKTBLQ-FQEVSTJZSA-N 455.607 1.317 30 10 JDEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1749257913 FYNAIQXXFHRZDQ-MRXNPFEDSA-N 492.009 1.781 30 10 JDEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCC2)CC1 1749263234 GGNNLZBLHAXWAL-UHFFFAOYSA-N 468.558 1.765 30 10 JDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(OC)c1)C1CC1 1749519734 QYWWTLZXOWLHTK-KRWDZBQOSA-N 459.572 1.774 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1749609125 AXZMRWCFKMKCSD-HNNXBMFYSA-N 486.520 1.886 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1749669202 DDYKQMGYCNOECN-GOSISDBHSA-N 487.992 1.386 30 10 JDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1749670906 WSIFKOJYQJYTLT-NRFANRHFSA-N 451.575 1.587 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(c3nc(C)no3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749681982 MAPVZHSKWVCOFM-JOCHJYFZSA-N 459.551 1.696 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)N2CCOCC2)C1 1749694306 QPKILZIXDJMSOQ-FQEVSTJZSA-N 468.558 1.787 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1749735436 SNBNQYNFHSMSRS-AEFFLSMTSA-N 450.565 1.177 30 10 JDEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1750689738 AGFMWXXXCVDEFS-WKRCXCSHSA-N 484.598 1.504 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nccn2C(F)F)CC1 1760264768 DYLHAASVNNDCGW-UHFFFAOYSA-N 460.489 1.120 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCNS(=O)(=O)c1ccccc1 1760290658 MBKQWXASUOVCKZ-PKTZIBPZSA-N 473.599 1.901 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)C(=O)C1 1760312974 HGVYQZAZWURLIJ-YLJYHZDGSA-N 469.546 1.202 30 10 JDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1760346349 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C=CCNC(=O)CN1CCN([C@H]2CC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)CC1 493507305 UBUSLSGNHUFQSU-INIZCTEOSA-N 458.868 1.911 30 10 JDEE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 726277040 HAKTZIDDEIMAHX-ZBCDYPQOSA-N 478.619 1.564 30 10 JDEE C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1 1124137469 JZMKIJXYICHWDL-BLIXFSHQSA-N 465.572 1.828 30 10 JDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1 1136193077 FTKWSQKLKCVMOZ-KRWDZBQOSA-N 459.547 1.303 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccnc(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1286392283 LIGOXMOWFRKCJR-MRXNPFEDSA-N 451.499 1.902 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1286395188 RHACOQDSUCNIDE-LJQANCHMSA-N 464.613 1.239 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(F)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1286396866 WVCFYKRIYPFYIT-AEFFLSMTSA-N 496.586 1.003 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cccc(F)c1 1286429632 DKGFAWZLKIHXEG-NRFANRHFSA-N 473.574 1.846 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCS(=O)(=O)C2)n1 1286470727 BOYVVRRFQURDBO-CTNGQTDRSA-N 490.630 1.827 30 10 JDEE C#CCSCCn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286503997 LPALYAHSXJDPNF-NQIIRXRSSA-N 453.616 1.695 30 10 JDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CCC)C1 1286541026 FWNGWSIIBRBHEI-HUUCEWRRSA-N 478.413 1.525 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC2(C1)OCCO2 1286581641 MNZZBPIAIDUULB-ZWKOTPCHSA-N 469.608 1.557 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1286700241 LCPDBQGENLMFMU-FZYZMVIOSA-N 481.644 1.951 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1286788250 SOPYTGJOMBJLMK-SFHVURJKSA-N 470.578 1.298 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1286801521 CWXCWCWVUGKEJB-QUCCMNQESA-N 456.572 1.880 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCO[C@@H](C)C1 1286819628 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OILRFZILQQHGBK-CQSZACIVSA-N 479.393 1.765 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NCCOC)CC1 1300880034 GUIAGIDUNOZHBP-RXVVDRJESA-N 457.579 1.139 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1301356920 GEXWFFJHFUXAEE-NHCUHLMSSA-N 482.628 1.734 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1301478881 QTLOLASHPHXWLT-UHFFFAOYSA-N 474.525 1.190 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1301485249 UAAJZPJVWSWTHA-CZUORRHYSA-N 487.504 1.807 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2Cl)CC1 1301584791 DPTCBAIIDGSGNQ-QGZVFWFLSA-N 479.006 1.810 30 10 JDEE CCOCc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)cc1 1314290079 BYALGTLVTMBUKL-PXNSSMCTSA-N 476.603 1.792 30 10 JDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1315054589 HHFUBOJHAZEVNJ-KDURUIRLSA-N 466.590 1.777 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(N2CCOCC2)CCSC1 1358870016 COGAVPMTJRANHW-HTAPYJJXSA-N 455.588 1.591 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC[C@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358955245 IKQWIZNSGGFNII-PMACEKPBSA-N 499.641 1.817 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358962819 XRSGJBMIZSWBJL-SFTDATJTSA-N 484.626 1.378 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1359047093 QNPCHMFHPGLSIN-NIYFSFCBSA-N 481.597 1.578 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC2CCOCC2)CC1 1359090112 VEKORCDZVLLVPS-LEWJYISDSA-N 460.623 1.946 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C2CCCC2)CC1 1359228009 RIHGFISXJCAMRJ-OAQYLSRUSA-N 496.678 1.658 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(OC)c(OC)c(OC)c1 1359240083 FQSDLTHUFBQRSE-GOSISDBHSA-N 481.575 1.307 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1COCCO1 1359282344 XXHQXUAIKGYJOC-ZWKOTPCHSA-N 467.567 1.641 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1359303094 DGSNGHVOYACLFO-UHFFFAOYSA-N 462.558 1.491 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cccnn2)CC1 1359305208 WHCVXFBRFJLZLO-UHFFFAOYSA-N 452.494 1.415 30 10 JDEE CCNC(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)NC(C)C)CC2)CCC1 1502397561 DUXICOKBGRZHRE-UHFFFAOYSA-N 492.628 1.770 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1507621705 BTJWTNJEDNUKBB-HZPDHXFCSA-N 485.657 1.128 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1507626662 BGPPUDFXSPDJKJ-KRWDZBQOSA-N 471.583 1.626 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1507631797 GGUCRHILCSSECJ-NVXWUHKLSA-N 497.419 1.458 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(OC)CCOC1 1507662607 LTVGULBBIOFRGI-HSZRJFAPSA-N 471.583 1.464 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCCS1(=O)=O 1507663356 YPSIYPJYDGRSAK-UHFFFAOYSA-N 457.556 1.461 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc2ccccc12 1507671885 RFRZUMGHIVENBN-OAQYLSRUSA-N 467.551 1.868 30 10 JDEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@H](C)C(=O)NC 1507746775 UDXUTWPFFRHTJB-HNNXBMFYSA-N 477.660 1.731 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@H](C)C1 1507797649 MFNVIGHDYMJFRP-QQXKLLMISA-N 453.609 1.684 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC1 1508000626 XUHLXJSCOKPURV-JOCHJYFZSA-N 499.641 1.771 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)CC1)C(C)C 1508012101 BKTNXYWJYWARTJ-RTBURBONSA-N 469.677 1.448 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1508129981 FUNFTZTZKSPNNN-CQSZACIVSA-N 466.530 1.090 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)COC)CC1 1508132983 ANTNMSGCSPIWTB-UHFFFAOYSA-N 473.555 1.587 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1508140572 IXLXYLUCQOVWDN-PZJWPPBQSA-N 491.589 1.919 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCOC2)C1 1508162313 QFDRVCSISVHBNM-APWZRJJASA-N 457.622 1.147 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1CCS(=O)(=O)N1CCSCC1 1539031435 ISAPWJAVRFRFKP-QGZVFWFLSA-N 479.628 1.702 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1539126428 UQUYJQZVSGYLKX-RBUKOAKNSA-N 476.607 1.074 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2nnn(C)n2)CC1 1539488468 JRPCRVUZZZZAJF-UHFFFAOYSA-N 463.546 1.012 30 10 JDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539734855 AZJLRNLGTFFBGU-UHFFFAOYSA-N 477.569 1.680 30 10 JDEE C=CCCCn1c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1540020202 HULHIJGQIIDDQZ-WIYYLYMNSA-N 453.609 1.901 30 10 JDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1540048626 ZYYNZTMXOYRHBO-OALUTQOASA-N 461.636 1.721 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](COc2ccccc2)C1 1540858423 WKJOVNQRIZRPKH-OALUTQOASA-N 463.560 1.081 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](COC)C1 1540902078 ZUQRUIGNUZSFCV-JKSUJKDBSA-N 488.570 1.435 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1540904243 KQDHIAXAWOAQAD-LJQANCHMSA-N 454.556 1.917 30 10 JDEE Cc1cccnc1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1542790427 GUWWLEICMYCCAK-UHFFFAOYSA-N 461.526 1.776 30 10 JDEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1547384411 AKYDCJUYUGWRMI-KRWDZBQOSA-N 481.600 1.177 30 10 JDEE CN(C)[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CCSC1 1552807639 FDVAXTBPRHJSPL-JOCHJYFZSA-N 455.588 1.492 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCS(=O)(=O)C1 1555544329 BAIROGMUZICXRV-FQEVSTJZSA-N 486.598 1.473 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCC(F)(F)CC3)n2CCN2CCCS2(=O)=O)cc1 1555990675 FXGXWSZXJIPTPQ-UHFFFAOYSA-N 466.514 2.000 30 10 JDEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CCCN(CCN4CCOCC4)C3)CC2=O)cc1Cl 1558112174 DDZNNNNKJRPCAF-OALUTQOASA-N 459.978 1.477 30 10 JDEE C=CCN(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)CC(=O)OCC 1559507303 OCUIHALLMSQVEV-UHFFFAOYSA-N 459.952 1.351 30 10 JDEE C#CCN(C(=O)NCC(=O)Nc1ccc(I)cc1)C1CCN(C)CC1 1564745504 XVBISFVZHMLXKN-UHFFFAOYSA-N 454.312 1.969 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1588034245 BUUJALPNBYLCIK-QGZVFWFLSA-N 496.611 1.024 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1588064531 JXGCDTWEWRHOGI-FQEVSTJZSA-N 468.583 1.709 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCN(C2CC2)C1 1588595415 SWSIFXSXECWPRY-SFHVURJKSA-N 457.600 1.919 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1588923778 LVZARCDIJLVUJL-BJLQDIEVSA-N 455.607 1.315 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(F)c1 1589215573 BIVKWMDHEXQJRN-SIKLNZKXSA-N 477.562 1.799 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1594787998 DKOGOADIRPSAOE-XLIONFOSSA-N 473.599 1.904 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1595476633 MDCNIHSNRRNSNH-VXKWHMMOSA-N 479.629 1.865 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1595799365 ZGGQFZIOYRHOGN-UHFFFAOYSA-N 472.615 1.962 30 10 JDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1595890593 ZOLJHDGWCZFTSI-QGZVFWFLSA-N 453.576 1.715 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](C(=O)OC)C[C@H]2[C@@H]2CCCO2)s1 1597116044 BCCUZZPYBXGQIG-XIRDDKMYSA-N 456.586 1.714 30 10 JDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCN(C(=O)Oc2ccccc2)CC1 1606615079 ALNVPGQLLJFHDY-QGZVFWFLSA-N 456.524 1.958 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)CC1 1627014743 CNEISBWXHPVEAJ-UHFFFAOYSA-N 453.587 1.234 30 10 JDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCNC(=O)[C@H]2c2ccccc2F)CC1 1652978354 HIRWPILKOSXDNX-JTHBVZDNSA-N 453.493 1.847 30 10 JDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1 1660940193 LMXBZTKXDPKBRK-MRXNPFEDSA-N 454.574 1.455 30 10 JDEE CCOC(=O)c1c(NC(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)c(C#N)cn1CCOC 1670537165 CJJPYDVWGKTTBM-GFCCVEGCSA-N 459.425 1.715 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689982843 VRUIPBJNWWYLPP-NRFANRHFSA-N 468.583 1.166 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1OC1CCCC1 1689999752 HOAPAGIFSWYLHO-KRWDZBQOSA-N 456.572 1.726 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H](OCC)C2CCCC2)CC1 1690124403 KNICOKWNUWGGTG-RTWAWAEBSA-N 463.648 1.921 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2ccccc2C)CC1 1690146730 VCTLGTBETVOHEC-FPOVZHCZSA-N 499.637 1.922 30 10 JDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC(N2CCCNC2=O)CC1 1690153791 AQJFCKRYMIAXIG-UHFFFAOYSA-N 461.636 1.947 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)NC 1690203031 OJRWDZCWUPUVNZ-JOCHJYFZSA-N 469.571 1.216 30 10 JDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1690315601 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C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1705903275 SANMAXGQFRPNEA-IBGZPJMESA-N 454.531 1.490 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCN(CC(=O)NCC)CC2)cc1 1705911727 OKZJFISWKQNRRN-HXUWFJFHSA-N 454.575 1.653 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1705937507 WKUVKNWOOIUQED-LJQANCHMSA-N 460.604 1.606 30 10 JDEE CC(=O)N1CCN(c2nnc(CCOc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H](C)C1 1705998356 NKEMUCURYLDFNF-ANEHGGCBSA-N 493.568 1.483 30 10 JDEE CCCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)N(C)C)c2ccccc2c1=O 1709806906 FSMJPOXRSAOVAQ-SJORKVTESA-N 450.547 1.744 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](N2CCCC2)C1 1722333277 URYLQAASDVSPQU-MOPGFXCFSA-N 450.609 1.089 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722357975 BRPGDMJJGMHSCC-GBESFXJTSA-N 464.636 1.163 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722358564 JABHQTOXZRLVPW-PMACEKPBSA-N 499.641 1.674 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1722359538 TYFDAYCERSRLQG-GOSISDBHSA-N 465.539 1.190 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN1CCOC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1722360936 CSTIZPTUCIOQLT-SFHVURJKSA-N 493.033 1.731 30 10 JDEE C#CCN(c1nnc(COCC)n1CC[C@H](N1CCOCC1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722369905 INPZHWAOCBFUMT-IRXDYDNUSA-N 493.552 1.095 30 10 JDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1722386095 VLHHXUHDAQOHSL-UFYCRDLUSA-N 482.585 1.498 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(OC)cc2OC)CC1 1722441482 RHSLHNOYJOHMAL-UHFFFAOYSA-N 482.585 1.642 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1722460346 DVERYOPPGBEHPB-RBUKOAKNSA-N 493.659 1.324 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1722556393 QTQSPHYIAPCFGL-BZUAXINKSA-N 460.000 1.300 30 10 JDEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 1728628591 DIGBRHDJXTVYSK-KNQAVFIVSA-N 480.617 1.042 30 10 JDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OCCO)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1740622413 CQVSVSQORKGASQ-GOSISDBHSA-N 460.556 1.210 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1cccc(F)c1 1740671936 RXJNHZJOYDSGNZ-QFBILLFUSA-N 465.551 1.677 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1740686269 QHUQBADERPQAFC-ICSRJNTNSA-N 463.579 1.708 30 10 JDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740742198 GLMSRFJHAFVHOZ-UHFFFAOYSA-N 470.335 1.464 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1740750788 UOUITCYXVKAPHJ-UHOSZYNNSA-N 472.594 1.972 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1740875546 FKTBKWVMYNLWLL-SIKLNZKXSA-N 479.578 1.814 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCC1 1740913238 AZASXGMQNFFMLB-HXUWFJFHSA-N 491.614 1.727 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCCCCC[C@H]21 1740960271 OLDPSMMIJRAAGP-KURKYZTESA-N 466.608 1.072 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748815695 SWZBSEBVRWGSGF-CGXNFDGLSA-N 490.674 1.614 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOc1ccc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1748817415 KKPMUIIDAPQVFE-NVXWUHKLSA-N 465.963 1.536 30 10 JDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCC(F)(F)F 1748959153 OCPKIAFGRNGUEG-UHFFFAOYSA-N 487.508 1.003 30 10 JDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1748960888 QITTYZDRUKBQIE-ROUUACIJSA-N 472.590 1.980 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCNC(=O)c2ccco2)CC1 1748972367 GXGXPEKVIWXQHC-UHFFFAOYSA-N 495.971 1.640 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC(C)(F)F)CC1 1748979443 ABKYOZNRFKTBFL-UHFFFAOYSA-N 466.558 1.996 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](OCC)c2ccccc2)CC1 1749010665 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C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1749738787 XQMGTDPKMXEPMX-UHFFFAOYSA-N 463.583 1.867 30 10 JDEE N#CCCN(CC1CC1)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCC(F)(F)F 1750389573 CPFRBVPEFMDTOF-UHFFFAOYSA-N 450.425 1.734 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@H]2CC(=O)N(CCOC)C2)c1 1760128318 FJDZTCHJKMRJNH-SFHVURJKSA-N 450.543 1.707 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCn2c(nnc2-c2ccccc2)C1 1760130302 HJDMRIOJORMWQA-QGZVFWFLSA-N 468.587 1.971 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1760202251 XPKYJOUZSODBCD-UHFFFAOYSA-N 478.578 1.573 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1760257233 RITQYQCBDLKJHH-VQTJNVASSA-N 484.576 1.807 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1760268520 STVANEQXLBYOKZ-UHFFFAOYSA-N 493.593 1.196 30 10 JDEE C=C(Br)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](C(=O)NC)C1 1760305479 HDWIMCYCBPZEAE-AWEZNQCLSA-N 498.407 1.098 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)CN(C)C)CC1 1760402773 UFPMJVYBOJYHGI-GOSISDBHSA-N 454.641 1.601 30 10 JDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(CN2CCOCC2)CCCCC1 1760456780 XFRSDVAGEZTIQF-GOSISDBHSA-N 454.641 1.793 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCN(CCOC)C(=O)C1 1760514583 AKIDFMGWGYMDBD-UHFFFAOYSA-N 495.609 1.974 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1760524915 NMNBKDNSVKOROS-UHFFFAOYSA-N 490.568 1.000 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1(S(C)(=O)=O)CC1 1761239590 ACPJQYSUUIBBKT-GOSISDBHSA-N 472.571 1.443 30 10 JDEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 1766157936 HAXMKBXWTVFIKE-WYTFLKLQSA-N 454.531 1.326 30 10 JDEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1769067599 FAIQIAACKFMGGX-QUCCMNQESA-N 474.587 1.625 30 10 JDEE CS(=O)(=O)c1ccc(OCCn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)cc1 1771342926 GJYBTVBFAHDUDL-UHFFFAOYSA-N 472.571 1.623 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCCC)nc1 1772564721 XJMBHBZBMBARIP-QGZVFWFLSA-N 450.565 1.465 30 10 JDEE [N-]=[N+]=Nc1ccc(CCC(=O)c2c(O)cc(O)cc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1 1848432766 AXCDEMZKQHNYNE-SDZDHKAXSA-N 461.427 1.034 30 10 JDEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCNC=O)cc1O 1862630042 KSPNMEIGMYQTKD-FQEVSTJZSA-N 454.435 1.844 30 10 JDEE CN1CCN(S(=O)(=O)c2cccc(C(=O)NC(C)(C)C(=O)Nc3ccccc3C#N)c2)CC1 1866591838 KKUHMLKRRBHUSN-UHFFFAOYSA-N 469.567 1.641 30 10 JDEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1 1871622316 KLVGGNSQCFRPMF-UHFFFAOYSA-N 466.590 1.648 30 10 JDEE Cc1cccc(N2C[C@@H](C(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)CC2=O)c1 1889426358 WLIKVZRYEOJFLI-QFIPXVFZSA-N 452.599 1.606 30 10 JDEE CC(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889434206 SXBLKTDGSCVOCO-HXUWFJFHSA-N 487.670 1.662 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H]([S@](C)(=O)=NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267136017 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CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2284041081 NUPQDKXXEOCFAS-KRWDZBQOSA-N 461.368 1.761 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1C(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2332921698 ODWRZWBHDWHMOH-BAFQHUKZSA-N 452.357 1.412 30 10 JDEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(C#N)c3)n2N)cc1 20913825 LXWUDIZFSHKJJN-FOKLQQMPSA-N 450.484 1.827 30 10 JDEE CCc1nnc(CN(C(=O)CSc2nnc(N/N=C/c3cnn(C(C)C)c3)n2N)C(C)C)o1 20921522 KHNZAMHTLMXOLA-QPSGOUHRSA-N 475.583 1.690 30 10 JDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@H]1c1ccc2c(c1)OCCCO2 72461112 ITRNTZVVHQQYIB-YJBOKZPZSA-N 479.493 1.498 30 10 JDEE C#CCN(CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)[C@H]1CCS(=O)(=O)C1 731212627 AFVIOBIUTDBBKZ-INIZCTEOSA-N 488.031 1.575 30 10 JDEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)NCC#CC(=O)O 757472706 ABJFKQRFUSJYPP-DEOSSOPVSA-N 477.517 1.870 30 10 JDEE Cc1ccc(CC(=O)N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)cc1 1136529447 AGTKHPNVADAELG-SFHVURJKSA-N 454.552 1.447 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1286384791 SBPAYMSOMCJYNE-RXVVDRJESA-N 459.528 1.641 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1286390518 BNIKUTCSUYQCIR-BAGYTPMASA-N 488.610 1.239 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286396670 XBMBOSDHOFPEGM-UNMCSNQZSA-N 471.627 1.525 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)cc1 1286431968 USZUJMVFQXUYTQ-OAQYLSRUSA-N 471.583 1.325 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ncnn2C(C)(C)C)CC1 1286486008 FKHIYDLPCUQREM-UHFFFAOYSA-N 490.572 1.286 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1286628932 IDACMCUPSJNGMW-KRWDZBQOSA-N 497.025 1.097 30 10 JDEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1286630148 QOCJBUQHRRDASG-KRWDZBQOSA-N 498.028 1.549 30 10 JDEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1286639099 XTFKZMDXWAQJTK-KRWDZBQOSA-N 456.366 1.742 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1286815900 GOHXLQZAHZCTDP-UHFFFAOYSA-N 496.593 1.912 30 10 JDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)CC1 1298010689 CCQVWARIPPBPJG-UHFFFAOYSA-N 453.547 1.118 30 10 JDEE CC#CC[C@@H](CO)NC(=O)CCSCc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 1300300805 LBIOAGKQEQKZAR-ZDUSSCGKSA-N 451.570 1.984 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1300483469 LSHFGGKCZFPRFP-DYESRHJHSA-N 462.597 1.448 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1300489568 PGFRERKASBKSIP-KRWDZBQOSA-N 474.583 1.894 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300495470 HZGUMTDDTGXGLR-RBUKOAKNSA-N 468.645 1.777 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 1300496401 QWDQNYHJUMFAJG-HZPDHXFCSA-N 498.577 1.328 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1300553740 QUTDGLHWQNCYRB-PZJWPPBQSA-N 488.658 1.864 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1300763392 OZOIQCSDSNTTCP-MSOLQXFVSA-N 455.650 1.094 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCCCCC1 1300779991 KALBMYACUFDICH-LAUBAEHRSA-N 450.609 1.673 30 10 JDEE C=C(C)COCCn1c(CC)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1300990227 IXMWTUONYMXWIT-IKGGRYGDSA-N 469.608 1.560 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1301258691 YGXGMAYGNGZVPI-GHTZIAJQSA-N 453.609 1.074 30 10 JDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1301279028 UIRZORWJFPJOFS-HNNXBMFYSA-N 453.590 1.252 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1301340310 YDYMRZJDAGGHNK-QFIPXVFZSA-N 467.555 1.292 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(=O)NCCC)C1 1301496490 BMGWWHNUDNYNPU-HNNXBMFYSA-N 457.535 1.051 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1301499688 DPAUYQWUARYNLL-QGZVFWFLSA-N 496.634 1.318 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)C[C@H]1COc2ccccc2O1 1301578910 KGVXFGWTWQXUTJ-KRWDZBQOSA-N 458.544 1.556 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](C(=O)OC)C1 1301586326 GBTAKVXGWXJQDW-GOSISDBHSA-N 462.572 1.868 30 10 JDEE COc1ccc(Br)c(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 1309406617 CIXOAVCPVKFXCA-UHFFFAOYSA-N 454.350 1.882 30 10 JDEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1358917599 VPJYALMLQFUDJD-UHFFFAOYSA-N 467.509 1.135 30 10 JDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1358937995 NQIMNCCYGUARIG-IAGOWNOFSA-N 457.560 1.199 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1358956314 DIDJIELNISKCHW-DLBZAZTESA-N 491.589 1.956 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C1OCCO1 1358993972 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C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H]1CCCO1 1360684738 DPJQQIDAAHWPJU-UZLBHIALSA-N 474.587 1.987 30 10 JDEE Cc1nc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)sc1C 1360904388 HIORTNIHRLHXKF-OXQOHEQNSA-N 479.632 1.863 30 10 JDEE C#CCC1(O)CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 1460696094 QQQFTEKUWCDJCP-UHFFFAOYSA-N 455.964 1.150 30 10 JDEE CCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)CCOCC1 1497801966 BKPZPCDESOZGRV-IRXDYDNUSA-N 454.597 1.556 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1502426598 GSPVOSPHTJHIKK-NRFANRHFSA-N 478.601 1.333 30 10 JDEE CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)C1 1503677592 HOCJYILWEBFAKU-JOCHJYFZSA-N 491.518 1.778 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCC(=O)N2CCOCC2)c1 1507553153 YDXANJDNTAVDMZ-UHFFFAOYSA-N 487.564 1.569 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1507558352 WLWVZSXIIVDDQD-LSDHHAIUSA-N 450.531 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C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NC2CCCCC2)c1 1539043415 QGADQLZJSFJGJM-HXUWFJFHSA-N 477.569 1.734 30 10 JDEE C#CCCCn1c(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1539141456 VBVZPHQWZKJNCV-GBXCKJPGSA-N 458.607 1.477 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCC(F)(F)CC1)[C@@H]1CCS(=O)(=O)C1 1539222659 WZNCEOBYQBXUOU-IAGOWNOFSA-N 490.598 1.632 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539232058 ZAVJTMGQPVLRKB-WCIQWLHISA-N 465.620 1.113 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1540867556 ZNLJOHSQXHCESA-MWTRTKDXSA-N 457.531 1.649 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)c2ccccc2)C1 1540892961 UTMQVFWSLGYAHM-QZTJIDSGSA-N 480.612 1.435 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1540904727 PPFYFSNEPKUJFD-FQEVSTJZSA-N 482.614 1.760 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCC2)CCO1 1541082303 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C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1588034508 HLTAQJBVZWNWOP-XLIONFOSSA-N 495.399 1.486 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1588045549 MMZSZOPIJCAEGL-WMZOPIPTSA-N 460.556 1.626 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C(CC)CC)N(C)C)[C@H]1CCS(=O)(=O)C1 1588049570 IKOKCJJHOLELTE-VQTJNVASSA-N 461.636 1.672 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CCC[C@@H]1NC(=O)NC1=O 1588118039 WOPIDYOMFDQPDB-INIZCTEOSA-N 455.316 1.769 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]23CCCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)CC1 1588199700 WBEHNLHOVLTMJK-LAUBAEHRSA-N 454.593 1.168 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1588800423 GABUFUDLMPPPGL-IBGZPJMESA-N 465.524 1.692 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1588811130 AJYKEKCQDVYXRN-OAQYLSRUSA-N 457.600 1.520 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC(=O)N2CCOCC2)CC1 1588871980 UHUVJDJAOSQJRW-UHFFFAOYSA-N 493.395 1.778 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1588967996 DMKDNJKBBPOVMG-LJQANCHMSA-N 494.687 1.711 30 10 JDEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)c1ccccc1 1593776334 JUKUKMCYTHLUGM-IBGZPJMESA-N 465.558 1.057 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1594733063 MGRWNVXUXJCRRO-SJORKVTESA-N 463.608 1.975 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1595506989 SLIIKQBZMBXPCR-MSOLQXFVSA-N 484.557 1.978 30 10 JDEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1596852869 AGXQWCCLHSQYQF-UHFFFAOYSA-N 453.417 1.704 30 10 JDEE Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCN(c3ccccc3C#N)CC2)on1 1612644524 GEGNSTKUKTXBPV-KRWDZBQOSA-N 484.586 1.821 30 10 JDEE CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@](C)(C#N)C1 1617308710 BTESJEMVHJNTDI-HXUWFJFHSA-N 465.601 1.913 30 10 JDEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C1 1618595402 GEMRXWKLFQALEQ-HSZRJFAPSA-N 468.558 1.623 30 10 JDEE CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)C1 1620158667 FPCAEGXKRQKWTE-FPOVZHCZSA-N 488.614 1.199 30 10 JDEE C[C@H](C#N)Oc1ccccc1NC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1623277612 CLGLYYLRVYXPFD-CQSZACIVSA-N 458.496 1.943 30 10 JDEE COC(=O)CCNC(=O)[C@H]1CS[C@@H](C)N1C(=O)CSc1nc(C)c(C)c(C)c1C#N 1638590228 GCICBRHYOOOBPC-GOEBONIOSA-N 450.586 1.940 30 10 JDEE C=C1CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)C1 1645283927 WJQXSRSONMBRAY-UHFFFAOYSA-N 456.362 1.461 30 10 JDEE C=CCOc1ccc(CNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 1674099582 MIGRNBFYSPWSRI-UHFFFAOYSA-N 459.572 1.598 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCCn2cccn2)c1 1689873450 JJDHGHHUZFMSNM-UHFFFAOYSA-N 460.542 1.744 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1689985986 GOBLCRUGZBOAOK-RXVVDRJESA-N 457.581 1.936 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689988671 UDXFLHVEJFABHH-IBGZPJMESA-N 459.620 1.570 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1690113539 MKONNQGAYLOFCZ-LGVFNWMJSA-N 460.623 1.185 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cnn(C)c2C)CC1 1690114906 KVNFHLOXHIYULR-UHFFFAOYSA-N 482.614 1.041 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)C2CC2)CC1 1690137255 RPVMNHFZECCUFC-QHCPKHFHSA-N 451.531 1.052 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCS(C)(=O)=O)CC1 1690148871 YEZHEIRWPCGRNX-UHFFFAOYSA-N 461.563 1.409 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1690156353 VYKOFTWBALQUFX-GOEBONIOSA-N 467.621 1.405 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1690170743 PCRALAYOCATOKJ-FQEVSTJZSA-N 459.664 1.590 30 10 JDEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690181446 YPPSIAQOGOBJMO-FQEVSTJZSA-N 452.584 1.989 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1690644518 PZSPHDKHOFEBPD-WOJBJXKFSA-N 479.578 1.886 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC(N)=O)CC2)cc1 1690679878 BSFTZOKEZYTXMZ-LJQANCHMSA-N 473.599 1.885 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H]([C@H]3CCCO3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690731909 SRGOKJJTIBWPEU-XQBPLPMBSA-N 484.619 1.304 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)N1CCOCC1 1705491365 BSLLFMQIUPWLFP-QGZVFWFLSA-N 460.579 1.709 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705564460 CCMUQRVOJZUPFZ-SJORKVTESA-N 467.592 1.324 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1705566219 ZWMPBTRGROSVGG-RBUKOAKNSA-N 474.583 1.776 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1705569703 GAUFGBXWVWDQPP-AOMKIAJQSA-N 482.553 1.561 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCNC(=O)c2ccco2)CC1 1705643119 SUGGHYYHDVJUNN-UHFFFAOYSA-N 464.526 1.644 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOC(C)(C)C)C1 1705924336 CDWYFAFDDIOXEP-SJORKVTESA-N 457.597 1.207 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(Nc2cccnn2)CC1 1705931836 CCYSBIJYWMETJM-UHFFFAOYSA-N 454.560 1.812 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccco1 1705935978 HLTQFVSNKQZZQY-DOTOQJQBSA-N 487.604 1.002 30 10 JDEE Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)c(C)c1 1707499656 BKLRWGGUYPESEV-RTBURBONSA-N 460.560 1.005 30 10 JDEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1722341134 UBXNGULNMSXIBO-KRWDZBQOSA-N 466.608 1.845 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1722365472 DRGWPPDUGGABKF-OALUTQOASA-N 492.623 1.172 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(N(C)C)CCOCC1 1722375652 RJOIOYHPMFQUBW-UHFFFAOYSA-N 484.626 1.379 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCOC1 1722394940 LAOIMWZNTKPECG-JOCHJYFZSA-N 456.572 1.161 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCC(F)F 1722399362 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C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1286789899 IQKCGUZGJCDATH-ROUUACIJSA-N 489.621 1.832 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1286814784 GYDIHHZTHXKBTE-KRWDZBQOSA-N 468.601 1.568 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)[C@H](C)C1 1286815443 VHPQIEPCCSPOAE-IAGOWNOFSA-N 481.644 1.888 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1286822227 AVEVENGYKAHZEY-UHFFFAOYSA-N 491.570 1.545 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1286822640 FJJHIRWLHARNSV-SJORKVTESA-N 472.681 1.497 30 10 JDEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1287121960 AROCYSNGXVMMDZ-GOSISDBHSA-N 458.588 1.850 30 10 JDEE CC(C)N1CCO[C@H](CN2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)N(C)C)CC2)C1 1288014406 DCLMVVSLZVDTAH-JOCHJYFZSA-N 480.617 1.136 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc(CCC)nc1C 1300308144 MNOCCWDMSGQZOW-YOEHRIQHSA-N 450.565 1.366 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@H]2CCCN2S(C)(=O)=O)c1 1300336403 HCWXABIZSPVGST-WOJBJXKFSA-N 486.598 1.610 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C(F)(F)F 1300465324 LORBDOVCGKSXKB-INIZCTEOSA-N 457.478 1.748 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1OCC=C)[C@@H]1CCS(=O)(=O)C1 1300479654 RAPMJWFIIWOTPJ-HXUWFJFHSA-N 483.594 1.754 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(S(C)(=O)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1300498317 IYXQBIUOYNLOMQ-IBGZPJMESA-N 494.614 1.602 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1300502493 VROHPVXNFFGQIV-GOSISDBHSA-N 459.601 1.237 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(CS(C)(=O)=O)CC1 1300663594 FOYDGEMFEQJAJL-UHFFFAOYSA-N 484.582 1.103 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)cc(F)c2C1 1300762289 HVPFFFCEJZJUDD-LJQANCHMSA-N 497.593 1.818 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1301492302 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C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(C)CN(C)C1=O 1358986688 DJSOYRFSSFOKIK-HSZRJFAPSA-N 467.599 1.488 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@](C)(O)c1ccccc1 1358994424 NDFOTHOEZXCVSU-QPPBQGQZSA-N 485.610 1.372 30 10 JDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359051529 ZUIXAZLQNYUHBW-UHFFFAOYSA-N 451.556 1.907 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NCC)CC1 1359106645 LUPHWCYWRGBAQS-WCIQWLHISA-N 462.595 1.835 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359329563 NHCCYHAQTUFIMM-HNNXBMFYSA-N 493.977 1.067 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1359332505 ZFPIRCRDRZKCTJ-FQEVSTJZSA-N 488.614 1.546 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)nnc1C(C)(C)C 1359335956 ZTEYKCYBJVLBET-LJQANCHMSA-N 452.669 1.781 30 10 JDEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)C1 1464492769 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C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCOCC1 1507671590 MRLOAYOEFWMZTE-LJQANCHMSA-N 473.574 1.591 30 10 JDEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1507681525 YIVKEEHERNNSNA-QGZVFWFLSA-N 477.587 1.854 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2ccc(C(N)=O)nc2)CC1 1507726204 HTQMJPBFNVFBDH-UHFFFAOYSA-N 459.554 1.771 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1507754759 ZHWLFFPHNVAWBB-UHFFFAOYSA-N 458.632 1.996 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(N3CCOCC3)CC(OCC)C2)CC1 1507896439 JLRKWPQFMKLWKD-QRGRWYIGSA-N 496.678 1.561 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(OC)n2)CC1 1507916900 WQYJPGZLGMBFFR-KRWDZBQOSA-N 475.619 1.908 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COc2ccccc21 1508021070 RCHRWXMQSFPMTM-YLJYHZDGSA-N 459.572 1.966 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1508086472 ZKNAHLJUKWHGKY-UHFFFAOYSA-N 451.491 1.512 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1508137378 MXTDZBFKSCXYAJ-INIZCTEOSA-N 451.524 1.026 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1508143529 HXUWFUYGIREEEC-QGZVFWFLSA-N 487.673 1.638 30 10 JDEE CCc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)s1 1513663572 DITYCKYJGSNEJV-APWZRJJASA-N 468.580 1.725 30 10 JDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)cc2)CC1 1536351776 CYSJUYKOUBQNPW-NRFANRHFSA-N 452.536 1.308 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1539212347 VHOFRIFHCXXKGY-SJORKVTESA-N 464.519 1.328 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1cccc(F)c1 1539265038 CLFDSXGCYUFQHN-PXNSSMCTSA-N 475.546 1.290 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCn2cc(C)cn2)CC1 1539469338 RPRSXANZMOHJTK-HSZRJFAPSA-N 455.563 1.101 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN(C)Cc2ccccc2)CC1 1539477547 QIEWWFKZMXDRAV-JOCHJYFZSA-N 477.613 1.717 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCc2cccs2)CC1 1539517109 IQKIHYLXBADPDC-GOSISDBHSA-N 479.697 1.973 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(CC)ns2)CC1 1539981137 CSAWTSXZTSSWLP-CQSZACIVSA-N 454.626 1.595 30 10 JDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1540064149 LZMNQZUUAKMVIJ-HNNXBMFYSA-N 457.560 1.096 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCOC[C@H]1C 1540901558 HXMILLOIWDTOTJ-QGZVFWFLSA-N 486.598 1.891 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC(C)(C)O[C@@]3(CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1540909046 VWGNXPALGXKQBV-GOTSBHOMSA-N 498.646 1.694 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1547750039 DQEPBOVSLJOHIT-GOSISDBHSA-N 467.574 1.983 30 10 JDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)C2)cc1 1564719242 CRLNSQQFLAUTEW-GOSISDBHSA-N 457.512 1.198 30 10 JDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O 1587847941 WHSQKMFEHXFWLG-MRXNPFEDSA-N 456.572 1.958 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1588070352 ZHONRULCMJASCM-QHAWAJNXSA-N 483.594 1.907 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(S(=O)(=O)NC)c1 1588218881 GHNTUNBLHAWWHR-UHFFFAOYSA-N 480.550 1.425 30 10 JDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCNS(=O)(=O)c2ccccc2)CC1 1588856647 ABUJRHKGMRLPKU-UHFFFAOYSA-N 456.616 1.745 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2cnnn2C)CC1 1588908875 XVNMNYDKNGKZRP-UHFFFAOYSA-N 492.584 1.884 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1588975344 GJQJQRBTCVWGBV-MOPGFXCFSA-N 469.615 1.839 30 10 JDEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(S(C)(=O)=O)CC1 1593703276 GNOFRNUDQDURMB-UHFFFAOYSA-N 473.397 1.710 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1595550995 KJOFCVPMMOYPPD-UXHICEINSA-N 459.639 1.596 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1595570115 XYMUXKMBTBCQMN-UHFFFAOYSA-N 479.629 1.500 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](COC)C1 1595805409 OSIJFLIKJWYLGV-LPHOPBHVSA-N 464.544 1.243 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2COCCN2C(=O)OC(C)(C)C)ccc1F 1631738950 ULIJKCAYJHLRGA-OAHLLOKOSA-N 457.524 1.656 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)C1 1634107907 HTJBBOGYCZIBQA-WBVHZDCISA-N 455.581 1.345 30 10 JDEE Cc1nn(C)c(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(Cl)cc3)CC2)c1C#N 1634181216 FTSGJHQKAAQYEB-AWEZNQCLSA-N 450.952 1.269 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCc3ncc(Br)n3C2)s1 1640497340 XKABJBQPKQFVKU-NSHDSACASA-N 459.391 1.845 30 10 JDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1660940409 OHYFSMLITKMECT-MRXNPFEDSA-N 451.611 1.238 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCOC[C@@H]2[C@H]2CC[C@H](COC)O2)cc1 1665969028 IYUIYJVELXCHDP-MISYRCLQSA-N 453.561 1.920 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCCc2cnn(C)n2)c1 1689873342 FIDRFKVHSAXYSH-UHFFFAOYSA-N 486.584 1.957 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNc1nccc(C(F)(F)F)n1 1690032963 NJWGZFUXJFFWLJ-AWEZNQCLSA-N 484.508 1.272 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1690090885 BDCXOAKUALEIRP-IBGZPJMESA-N 494.614 1.784 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@H]2CCS(=O)(=O)C2)n1 1690109551 VYLOJTIMRXYVRR-GOSISDBHSA-N 469.571 1.258 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1690122219 KSBRMHWBMLNNPI-SFTDATJTSA-N 451.575 1.296 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1690128883 LGEJXALKBLOLPE-UHFFFAOYSA-N 462.554 1.447 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCOc2cccc(OC)c2)CC1 1690130427 FYOAEOLLUJGBRD-UHFFFAOYSA-N 452.559 1.633 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(=O)NCCC)CC1 1690137992 OKRZBQNHNMJSAQ-UHFFFAOYSA-N 490.406 1.538 30 10 JDEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 1690321725 JOJPNGSPMQCPDP-UHFFFAOYSA-N 493.612 1.837 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2sccc2[C@@H]1CC 1690672014 FWKACZWVYKWWCX-IRXDYDNUSA-N 494.643 1.489 30 10 JDEE C=CCNC(=O)Cn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1C1(c2ccccc2)CCC1 1690676720 BMGUCIXIOVZPLA-UHFFFAOYSA-N 486.642 1.911 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1690717985 XLADFPVOOSYTTQ-QFIPXVFZSA-N 494.639 1.956 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1690726747 KGXBDMAYVRZPEO-UHFFFAOYSA-N 472.615 1.846 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCc1ccc(S(C)(=O)=O)cc1 1692758124 CHLMVDYPSXAEAA-GJZGRUSLSA-N 468.605 1.273 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc(C)c(C)s1 1705495046 KAJWULXRKZHUPM-CZUORRHYSA-N 452.606 1.385 30 10 JDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1705515631 IZLBCCJOWXRQAH-SFHVURJKSA-N 452.563 1.856 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1705558936 MJGRBNNUIYBZSQ-CRAIPNDOSA-N 474.587 1.549 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1705561530 QWIPZYAPSMBERN-IBGZPJMESA-N 473.990 1.987 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705562153 YRDITIXDSIRDQT-KZNAEPCWSA-N 472.571 1.367 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1705569786 HGGRMYNVFUMKPG-IBGZPJMESA-N 484.582 1.828 30 10 JDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCn1cc([C@@H]2CCOC2)cn1 1705574504 FSNVNEKPJPHYGJ-YKSBVNFPSA-N 452.559 1.792 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCC(F)F 1705591070 FAPSYYFXPUDLOF-UHFFFAOYSA-N 478.525 1.040 30 10 JDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OCCO)c(OC)c1 1705611889 RQALICIXTCGTOM-UHFFFAOYSA-N 453.499 1.893 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2cccs2)N2CCCC2)CC1 1705632973 GHGQBSNPDYJAKV-OALUTQOASA-N 491.687 1.542 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCOc2ccc(Cl)cn2)CC1 1705647474 HCTXTTQQOLLLNR-UHFFFAOYSA-N 466.933 1.828 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1705650521 SPJOBQRSIVRKLZ-NYHFZMIOSA-N 458.588 1.140 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C2CC2)CC1 1705829975 HIEMDLQXECEKEX-KRWDZBQOSA-N 451.593 1.268 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1705830733 WMFFRKUDBHWCIM-QGZVFWFLSA-N 477.562 1.765 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2c1OCO2 1705885647 ZFJBPELUVGMWPM-SFHVURJKSA-N 479.559 1.027 30 10 JDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1705885697 FHWSDKUAQGWGIA-KRWDZBQOSA-N 452.563 1.681 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1705901420 LCYQHIMCLAJRTB-DLBZAZTESA-N 489.374 1.872 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1705930542 PTHGHYWUJGQGOT-HOIFWPIMSA-N 490.586 1.299 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705930642 RWKDNSLZAIYLNC-AEFFLSMTSA-N 492.577 1.714 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1705931758 ZDMWUZOAMVJRNM-INIZCTEOSA-N 495.403 1.522 30 10 JDEE CC(C)NC(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H](C)C#N 1706068099 DYUUZOZTOMYDHK-INIZCTEOSA-N 461.592 1.706 30 10 JDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)CC1CC1)S(C)(=O)=O 1706081686 GQDJYJPIOWDHFB-CVEARBPZSA-N 479.628 1.899 30 10 JDEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)N(C)C 1706920268 BAOKSPYKHNYEIS-YOEHRIQHSA-N 468.967 1.692 30 10 JDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCn2cc(Br)cn2)CCOC1 1710482155 BBJUFQAJDKSCFN-VQIMIIECSA-N 480.367 1.708 30 10 JDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCSCC2)C1 1712690261 GGIPCHKDZXOEEN-HXUWFJFHSA-N 490.655 1.791 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1722363542 AFRCJCCCCQMHEN-HSALFYBXSA-N 462.547 1.175 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722366666 IWVMRECNZLAEKL-HBMCJLEFSA-N 479.647 1.503 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1722372205 QZLBNCFJRGFGCK-SFHVURJKSA-N 473.628 1.888 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H](c2cccs2)N2CCOCC2)CC1 1722448288 XINTVJMURGYDBZ-LJQANCHMSA-N 456.616 1.941 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC2CCS(=O)(=O)CC2)CC1 1722449904 TUGSEXYSPZSGOO-UHFFFAOYSA-N 499.637 1.956 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNS(C)(=O)=O 1722466117 JAMNDAFPDAFOPT-HXUWFJFHSA-N 464.979 1.403 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](CO)O1 1722659452 WUCCQWHZEOUOFE-HBMCJLEFSA-N 491.614 1.344 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3cccc(F)c3C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722704854 YEQUDZMVBWQDHD-VWLOTQADSA-N 497.575 1.958 30 10 JDEE CC(C)(Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1723032516 HMSBGTLBQKHEQZ-INIZCTEOSA-N 459.576 1.109 30 10 JDEE Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)c(N2CCOCC2)c1 1724350809 FBCGBLRALNGOLA-MSOLQXFVSA-N 475.619 1.678 30 10 JDEE CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 1729594695 AFRGHMSNYUGDHV-XMMPIXPASA-N 451.575 1.578 30 10 JDEE COc1cccc(C(=O)NCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)c1 1730209945 FRDISWHBYZSZNF-DOTOQJQBSA-N 460.560 1.357 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2CC(=O)NC(C)C)c1 1740565230 ODRSCOJPYKNYLC-UHFFFAOYSA-N 493.593 1.850 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1740609679 NAKIFATZWLGTCL-FQEVSTJZSA-N 489.598 1.429 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1740621722 OJXHFHJTQSGMSG-YOEHRIQHSA-N 455.544 1.770 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1740625172 OLKSCXFBOHEIHH-HNNXBMFYSA-N 467.642 1.649 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1740627269 FVTYWRSFEOKRKC-RTBURBONSA-N 455.540 1.392 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1nc2ccccc2[nH]1 1740648077 BZASMCSYJSYGSH-KRWDZBQOSA-N 453.572 1.860 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CCN(C(C)=O)CC1 1740659266 LSYFWQAYSFKKKZ-QFIPXVFZSA-N 497.644 1.977 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cc(OC)c(OCC)c(OC)c2)CC1 1740695151 GVFSVSICCLNPRV-UHFFFAOYSA-N 463.542 1.955 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@](C)(O)CCOC)CC1 1740701148 WFEIESMGKULZND-SANMLTNESA-N 496.612 1.901 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1740705032 AZSZTABQKBYRHR-VXKWHMMOSA-N 493.612 1.507 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1740710400 YWBCLABDGXNCBD-UTKZUKDTSA-N 463.629 1.661 30 10 JDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCCN(S(C)(=O)=O)CC1 1740738200 DUUIEHVAGGEEGQ-CQSZACIVSA-N 466.402 1.382 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nccs2)C1 1740751140 HQVUNCRKENFBHE-VQHPVUNQSA-N 482.632 1.904 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N(C)CCN1CCOCC1 1740989039 YGPQFUYOEHXINJ-UHFFFAOYSA-N 453.996 1.968 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1740993921 GEDAKESZJOIYLN-MRXNPFEDSA-N 450.590 1.046 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)CC)C1 1741002912 NDZCYRPKOGRSEA-IRXDYDNUSA-N 486.664 1.025 30 10 JDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1747529491 HADNWYZCYMJSQB-UHFFFAOYSA-N 464.574 1.086 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1748809621 OVMVOZJOHAVKMH-RBUKOAKNSA-N 466.567 1.358 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748810262 VBNFMXYHRQNRQG-UJQZNKFNSA-N 492.623 1.848 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccnc(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1748821764 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463.560 1.278 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1286820870 UKNVCPCVCDATBF-GOSISDBHSA-N 477.562 1.484 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NC(C)C)c1 1300331145 GJESGYDUUYYUIG-UHFFFAOYSA-N 474.525 1.506 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C1CCCCC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300492536 NKGMJAHCEWVRIM-HSALFYBXSA-N 476.647 1.366 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(CCC)C(=O)OC(C)(C)C)CC1 1300700742 VJYAUVGJHBGDDL-IBGZPJMESA-N 494.662 1.583 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(NC(C)=O)c2)CC1 1300727426 XIXYGJXXSVMEDV-HXUWFJFHSA-N 450.543 1.755 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1cc(C)oc1C 1300805801 IPWZLNLSDZBPOB-PMOQBDJRSA-N 491.614 1.721 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc([C@@H](C)O)cc1 1301403542 KXJDRGCYEYQOHX-XLIONFOSSA-N 461.588 1.891 30 10 JDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1301458611 DADJMDPWTXWYAT-GOSISDBHSA-N 465.601 1.018 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H]2CCCCO2)C1 1301555467 BYXMHXDJOBOYIH-GUDVDZBRSA-N 469.608 1.352 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C)C(=O)[C@@H]1C 1301584776 DKQQQUMMPYFLNT-INIZCTEOSA-N 470.555 1.868 30 10 JDEE Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)n(C)n1 1304727364 GHLZNAOQFSJNEF-SFHVURJKSA-N 468.587 1.673 30 10 JDEE C#CCCCn1c(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1358936776 XKJWSSOMEIXSAY-ZEQKJWHPSA-N 488.677 1.963 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCCN1CCCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358960462 FIGTXTJHBBKNQY-PZJWPPBQSA-N 472.615 1.468 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccn(Cc2ccccc2)n1 1358984612 BUUSDNRSQGCTJQ-IBGZPJMESA-N 465.583 1.644 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)COCCO1 1359015284 OTOZMLOGQGCNJR-HRAATJIYSA-N 465.551 1.473 30 10 JDEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@](C)(O)CC)CC1 1359037970 FTMCZTJCRRUZEA-AREMUKBSSA-N 465.646 1.559 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1359062738 QUSAUXKIHDAYFT-OTWHNJEPSA-N 463.604 1.196 30 10 JDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1359083339 HXYHXGUDNVPQRA-INIZCTEOSA-N 476.379 1.901 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1359151340 ROKGDPJKKSGGIR-SJORKVTESA-N 485.014 1.413 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2ccnn2)CC1 1359215949 MMPKWWDDSCMPTO-SFHVURJKSA-N 464.596 1.085 30 10 JDEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC(=O)N1CCOCC1 1359222862 UUPWQFYLEVZXPS-UHFFFAOYSA-N 467.368 1.923 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1359300599 GMSXYRBTKICPEA-LVCYWYKZSA-N 470.574 1.638 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1359310489 XMEAEEUMSBYTBQ-IBGZPJMESA-N 488.614 1.608 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(Cl)cccc2C1 1359327134 SVQWYLSMBRUKLO-CQSZACIVSA-N 488.035 1.705 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)CC[C@H]2C1 1359335562 OSVRLGDWHXNVSS-IBGZPJMESA-N 473.599 1.831 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1360298554 ASFZZFCMHYKVBI-NRFANRHFSA-N 499.641 1.431 30 10 JDEE C#CCN(CC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1)C(=O)OC(C)(C)C 1441434627 QAVBRUXJGCRFLO-UHFFFAOYSA-N 457.487 1.376 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1503281797 GEUDVQMTCTUYRJ-SFHVURJKSA-N 468.587 1.559 30 10 JDEE CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1505133788 DLIKNEIGVATWHU-UHFFFAOYSA-N 486.598 1.612 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1507627557 DTHZWHVOIXMFRQ-GOSISDBHSA-N 468.583 1.979 30 10 JDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1507637553 BQBBSDSLISTZDE-OALUTQOASA-N 459.547 1.892 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@H]1OC 1507710327 NQZZEAHEHGCSBR-FXAWDEMLSA-N 466.542 1.330 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1507752211 WVATXJZVFGFFHA-UZUQRXQVSA-N 490.630 1.669 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncn(-c2ccccc2)n1 1507763528 CKNKDPCDQYDIAU-HRAATJIYSA-N 454.560 1.509 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1508079996 GZPWCWCTHQDAGO-KRWDZBQOSA-N 463.546 1.539 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1 1508103057 DRVRVLGNIZAKIX-SFHVURJKSA-N 459.572 1.856 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1508143768 NHPBIVVQVOYKAR-JOCHJYFZSA-N 470.555 1.188 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC[S@](=O)C(C)(C)C)CC2)c1C#N 1511661063 CCAULLPLDYBVET-INDDNBPWSA-N 487.634 1.017 30 10 JDEE CO[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)C1CC1 1517839623 HZBVSVLSQIKOFS-MSOLQXFVSA-N 452.581 1.166 30 10 JDEE C=CCC1(C(=O)N2CCN(S(=O)(=O)c3c(C)oc(C)c3C(=O)OC)CC2)CCOCC1 1526738466 XWTJTQGANDVSIT-UHFFFAOYSA-N 454.545 1.889 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)c1cccs1 1539155540 XDXGRMLGIDFBSO-UHFFFAOYSA-N 472.596 1.756 30 10 JDEE C#CCN(c1nnc(C(C)C)n1C[C@H](C)CN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1539201626 AZQNQDHYUCQDBB-UXHICEINSA-N 450.653 1.302 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1539206444 PFFZBABIUTZPDZ-OPYAIIAOSA-N 452.577 1.126 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539229473 DUTVPDNOVQZJSL-FPOVZHCZSA-N 484.626 1.552 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)NC(C)C 1539259873 JPQUYQYTYPISAU-UHFFFAOYSA-N 481.582 1.076 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCOC[C@H]1C 1539304964 KHYCDVKNMJQDRK-HXUWFJFHSA-N 484.626 1.379 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3F)n2C[C@]2(O)CCN(C)C2)n1 1539424142 MAXJNOXJNPIVMZ-DEOSSOPVSA-N 467.549 1.634 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCS(=O)(=O)NC(C)C)CC1 1539440878 CPAIONSKBOZYCT-UHFFFAOYSA-N 467.599 1.576 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(O)CCN(C)C2)CC1 1539470776 ZEZAMOGCUNBMQM-NRFANRHFSA-N 490.406 1.068 30 10 JDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1539978029 WBXFCZQBMMFTIH-UHFFFAOYSA-N 461.530 1.712 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1540036804 VBPYLBLFSUIPSO-NHCUHLMSSA-N 480.679 1.378 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1540866375 LHNRGIOEDTVVDR-WIYYLYMNSA-N 454.575 1.803 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1540868555 JDJLQXGZCDIZJZ-UHFFFAOYSA-N 451.535 1.845 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1540869539 PKSFPIRVSFJQPY-IAGOWNOFSA-N 481.557 1.217 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1540900557 ZPDIOLAJUFEJFE-HZPDHXFCSA-N 464.979 1.842 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1540901903 UHAGXYPVIZQJAJ-SFHVURJKSA-N 458.588 1.841 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1540902499 LCBOTFYNHZUUKZ-HRAATJIYSA-N 450.536 1.620 30 10 JDEE C#CC[C@H](CCOC)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1543461851 HMOFMDAHJIPZAU-GOSISDBHSA-N 450.557 1.793 30 10 JDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCn1cccn1)C1CCN(S(C)(=O)=O)CC1 1554121823 CTGVBLLLLSILLQ-UHFFFAOYSA-N 498.613 1.876 30 10 JDEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)c(OC)n1 1554931440 FNCWUFPXMYUQQI-GOSISDBHSA-N 468.539 1.901 30 10 JDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)c1 1559445207 TZQLLEBGHSAERA-UHFFFAOYSA-N 459.506 1.903 30 10 JDEE C#C[C@@H]1COCCN1C(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1570227997 ZLWABXUQLKKHNC-CQSZACIVSA-N 454.321 1.610 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1587561326 CULUHPURCOQLPE-IRFCIJBXSA-N 474.631 1.728 30 10 JDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1587702282 SEJDKABZYADLOE-UHFFFAOYSA-N 456.551 1.277 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(OC)c(C)cc2C1 1587862331 VAKNVLHECGZWFG-NRFANRHFSA-N 473.599 1.904 30 10 JDEE C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1588157545 CCSPZDHSMKGKGQ-INIZCTEOSA-N 450.561 1.894 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccc(OC)c(OC)c2)CC1 1588752430 SIPRTJRNYMTLRZ-RUZDIDTESA-N 469.586 1.945 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2c(OC)cc(OC)cc2OC)CC1 1588801140 WJAQDAWWIBZYIV-UHFFFAOYSA-N 465.558 1.702 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCC(=O)N(CC)CC)CC1 1588923847 OCZWLHLPCZFDOQ-UHFFFAOYSA-N 454.579 1.293 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)C(=O)C1 1589495537 RTLXFCFCNNYUFZ-UEXGIBASSA-N 494.662 1.851 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1589567721 GDIUBZYNFAVUOO-MDZRGWNJSA-N 479.628 1.874 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1589571075 XSHLGEKWHKETML-AGHHOFFYSA-N 471.558 1.798 30 10 JDEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)NCC)CC1 1589721768 CTXFCKGQMUGVJS-UHFFFAOYSA-N 450.385 1.880 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1594192491 JLGCERGGNXZYMR-KRWDZBQOSA-N 490.630 1.806 30 10 JDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1594448591 IUWRNMGMMUFJKQ-SFHVURJKSA-N 457.623 1.906 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCN(C)C1 1595075560 HUSUGCVESAQAEZ-XXBNENTESA-N 475.615 1.448 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCS(=O)(=O)C1 1595085581 XYTISYYVGMDHCX-LPHOPBHVSA-N 492.627 1.387 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1595506867 OTFCGSHWHBRXRT-UHFFFAOYSA-N 478.557 1.771 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1595506991 SNLKIANABNRFBQ-CVDCTZTESA-N 495.628 1.635 30 10 JDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 1626375456 BICUDRXCLZJXLY-DLBZAZTESA-N 466.485 1.872 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 1631045637 UDQCWVNGBUUSMX-UHFFFAOYSA-N 455.480 1.195 30 10 JDEE C=CCOC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)C(=O)OC 1639555480 LVXNIQARPRPKOL-IBGZPJMESA-N 452.529 1.150 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N(C)C(=O)OC(C)(C)C)cc2)CC1 1679271298 WZPPVUDXXBSZJX-UHFFFAOYSA-N 451.549 1.675 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CSC)c1 1689852152 BEMPIQSWKAYRIU-VQIMIIECSA-N 463.629 1.980 30 10 JDEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1nnn(C)n1)[C@H]1CCS(=O)(=O)C1 1689982828 VNZAVBHHYXRQOS-SFHVURJKSA-N 468.587 1.441 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1689988865 XSGPFNCIRSOVQE-INIZCTEOSA-N 470.555 1.647 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1689997150 WRWPOBPRGCXPRY-GSHUGGBRSA-N 491.639 1.447 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCNC(=O)C(C)C)CC1 1690135193 QYWIBCJYQJOIGP-KDURUIRLSA-N 473.622 1.576 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCOC[C@H]2OC)CC1 1690139244 FHXVYWQNKMTQHM-AUSIDOKSSA-N 497.596 1.980 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCCN2CCOC2=O)CC1 1690152445 LLXOEKZAKFHZDG-UHFFFAOYSA-N 484.532 1.804 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C(N)=O)C1 1690715141 DTNDTYRXEWARCS-CABCVRRESA-N 451.524 1.470 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1690715647 QAGMSPNNPPTTDE-WBVHZDCISA-N 479.534 1.799 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1690717348 CNWDBAIHKTZJBU-UHFFFAOYSA-N 468.583 1.913 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1690722469 KPQLETFACJCOFG-JOCHJYFZSA-N 454.556 1.742 30 10 JDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C1 1690932415 AOYLAXHTDBRDBV-INIZCTEOSA-N 463.464 1.848 30 10 JDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN(C)S(=O)(=O)CC)CCOC1 1696051489 DTJXHDUJITZILZ-MOPGFXCFSA-N 458.560 1.044 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(C)c2C)CC1 1705534374 GXPQBQPVWSDASO-QFIPXVFZSA-N 486.642 1.968 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1cnn(-c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 1705559397 ZYJXZPLTERVJLA-NRFANRHFSA-N 495.609 1.471 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1705565563 VSYPCKRJEKQLFX-DLBZAZTESA-N 480.587 1.536 30 10 JDEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705607366 ALDCKKIDYKBEPG-INIZCTEOSA-N 459.391 1.778 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccccc2CN2CC[C@H](O)C2)CC1 1705631847 BKGTUALVUXSTLN-DEOSSOPVSA-N 493.656 1.567 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2nnc3n2CCCCC3)CC1 1705632366 NRBOZHNMMURUNL-UHFFFAOYSA-N 453.595 1.318 30 10 JDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1705747003 CGYXOJVQCVTIGN-FGTMMUONSA-N 474.075 1.636 30 10 JDEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1 1705829715 AWUDINGYHAAOST-QZTJIDSGSA-N 478.594 1.846 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1705896683 UXLIWMZEOZUXKZ-UHFFFAOYSA-N 470.574 1.959 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1705898177 DFMCSNFPTJYPGD-NRFANRHFSA-N 489.374 1.877 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C)(COC)CC1 1705900718 NENXEMUMDUUBAY-UHFFFAOYSA-N 465.558 1.747 30 10 JDEE C=CCNC(=O)Cn1c(N(C)[C@H]2CCCc3c2cnn3C)nnc1[C@]1(OC(C)C)CCOC1 1705908196 KQLUMPGQYHPISQ-MBSDFSHPSA-N 457.579 1.868 30 10 JDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)C(=O)C1 1705912933 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1722436805 GAMDAXRVANSYAQ-QGZVFWFLSA-N 484.548 1.971 30 10 JDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1722621224 XMZPVTGLRJIIAK-KRWDZBQOSA-N 462.576 1.922 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCO[C@@H](C)C2)CC1=O 1730798869 GWADEHQUBIYVJI-ICSRJNTNSA-N 468.558 1.839 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCCS(C)(=O)=O)c1 1740564272 HMONNLFTNPOECA-UHFFFAOYSA-N 466.567 1.755 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1740622406 COQAIMRHPCCMGH-FUHWJXTLSA-N 475.546 1.246 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1740622954 LNSKNLHEJONFJT-IAGOWNOFSA-N 453.634 1.635 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1740623820 BHVDYJFDPYIDNT-QGZVFWFLSA-N 463.585 1.399 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(OCC(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1740626820 NHZVVCAKUIEARA-UYAOXDASSA-N 487.582 1.059 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCNS(=O)(=O)Cc2ccon2)CC1 1740694056 XFPWJOJHBACNNW-UHFFFAOYSA-N 469.571 1.116 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3ncccc3c2)CC1 1740701239 ZIHWEHCFMTXUBG-UHFFFAOYSA-N 459.554 1.979 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740750819 FTTMORYXPMAPSF-UGKGYDQZSA-N 496.616 1.553 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740752362 VTMCQFTZDSAAGA-RDGPPVDQSA-N 456.609 1.997 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCS[C@H](C)[C@@H]1C 1740953824 RWCAUTLYYMOQPX-JKSUJKDBSA-N 478.644 1.828 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(OC)CCC2)C1 1740982793 XDUGDIOWMNVRHF-QZTJIDSGSA-N 469.608 1.352 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2C1 1740987111 PDMZMAIWQCOJIU-OAHLLOKOSA-N 453.590 1.052 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(CC)CC)CC1 1740992436 PXTJELYQIVJLIJ-KRWDZBQOSA-N 473.665 1.092 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC2(CCN(C)C2=O)CC1 1740992775 NUCTWLZVYIEYRO-UHFFFAOYSA-N 478.644 1.683 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1747425325 FBJJVUZTAGUSGT-JPYJTQIMSA-N 488.614 1.873 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCS(C)(=O)=O)c1 1748694367 GPKXTPSURMYGFN-UHFFFAOYSA-N 452.540 1.365 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1(COC)CCCC1)[C@H]1CCS(=O)(=O)C1 1748818128 WCKRKRFMYWBOSS-MOPGFXCFSA-N 498.671 1.404 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CC 1748892156 JULUTWRGLDOYGX-OAQYLSRUSA-N 455.584 1.685 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(C(N)=O)CCOCC1 1748964043 FFFYAGFGPVNKNC-LJQANCHMSA-N 455.515 1.159 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccnc2OCC(F)(F)F)CC1 1748994434 HFUKIHVXHIUICA-UHFFFAOYSA-N 477.491 1.540 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1749010016 FZFMMXNPWFUGRC-HXUWFJFHSA-N 470.599 1.335 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)NCC)CC1 1749142179 RSRJQQDVRYXOSY-LGGPRVQUSA-N 476.622 1.241 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1749213358 JKDDMHJSULTLSC-SJORKVTESA-N 486.639 1.975 30 10 JDEE C=CCCOCCn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749460862 HNTOLNYXGKWTJE-SFHVURJKSA-N 470.599 1.619 30 10 JDEE CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1750584138 FQNMLVMRCNDDBQ-MBSDFSHPSA-N 453.547 1.692 30 10 JDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C[C@@]2(CCCOC2)O1 1752311739 FMNBVRCHYSQEPC-IVZQSRNASA-N 460.485 1.972 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCC(F)(F)F 1760098543 UCUYVDJSONKOTF-QWHCGFSZSA-N 460.482 1.731 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1760155463 YLCYRGAPSGSBNA-OKZBNKHCSA-N 453.609 1.664 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1760180236 ARURGDJZLUMRIR-FQEVSTJZSA-N 468.583 1.947 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1760185585 ZTRLJOHYJRYTBH-IAGOWNOFSA-N 460.556 1.626 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1760188549 PGJHQYPQSAKOAF-MSOLQXFVSA-N 472.633 1.361 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760191203 CSZKPLQUXXPEQH-HXUWFJFHSA-N 460.604 1.583 30 10 JDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1760192132 RITRKBHZPOEPBB-FZYZMVIOSA-N 473.624 1.676 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccs1)N(C)C 1760249166 IPPZKZAJAXCDLN-IRXDYDNUSA-N 451.618 1.631 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1760266487 ABXLOFGDYFVZBH-LJQANCHMSA-N 479.541 1.734 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCNC(=O)c2ccco2)CC1 1760272901 DJLUXBPHDUGKNY-UHFFFAOYSA-N 494.527 1.985 30 10 JDEE 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C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1301593495 OHZLZSSQXGWROE-GOSISDBHSA-N 465.551 1.702 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1301594699 INMZQTFRHWQRHM-HNNXBMFYSA-N 482.607 1.800 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CCNS(=O)(=O)c1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 1358954982 BSUCUMYVWHGSJZ-INIZCTEOSA-N 499.684 1.551 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358955264 ITPGTLAMGZXIAJ-DVECYGJZSA-N 494.577 1.460 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1358956333 DPJLPCHCNDCCEM-MRXNPFEDSA-N 492.403 1.949 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(CC)CCCC1)[C@H]1CCS(=O)(=O)C1 1358956383 FAUUKNCTVRNWLK-SJORKVTESA-N 471.649 1.485 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358957181 QSQODIMJULYYMS-CMKODMSKSA-N 493.655 1.709 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C(=O)NCC)CCC1 1358988795 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JDEE C#CCN(c1nnc(COCC)n1CCN(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507638407 QLWZRVLKFYKSJF-QGZVFWFLSA-N 469.608 1.698 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1507638522 GDMRWBQQIBTURX-LJQANCHMSA-N 471.583 1.907 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCNC(=O)C(C)C)CC1 1507734048 PYOIHNYLBFOKSZ-UHFFFAOYSA-N 480.573 1.054 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(N(C)C)CCSC2)CC1 1507740878 QJAXPINZXQCNCJ-DEOSSOPVSA-N 484.674 1.543 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CCNC(=O)C(C)(C)C)CC1 1507741114 LMTKWTUOOXRDLP-UHFFFAOYSA-N 496.612 1.994 30 10 JDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1)c1ccccc1 1507853873 GIDCNXXULHRIAT-IRFCIJBXSA-N 474.631 1.759 30 10 JDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CC(N)=O)C1 1507962584 ULOPYRZINRIAPE-KRWDZBQOSA-N 465.558 1.877 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1CCN1CCCS1(=O)=O 1507997620 CFRXXXPACUGQSY-UHFFFAOYSA-N 488.614 1.751 30 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CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCC(=O)N(C)C)C[C@H]2C)CC1 1596267196 GJBWLSBUENHGAO-XXBNENTESA-N 492.628 1.674 30 10 JDEE C=CCCC[C@@H](C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 1596757890 GFTPWOUOTKJEQI-WOJBJXKFSA-N 454.614 1.788 30 10 JDEE Cc1cnn(C[C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)NC(C)C)CCO2)c1 1612340562 BTMAFWJHUWRDAQ-OAQYLSRUSA-N 478.557 1.664 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1 1630978816 JVHRMKNLUZSPNZ-KRWDZBQOSA-N 452.577 1.432 30 10 JDEE C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCN(c2ccc(C#N)cc2F)CC1 1641669441 AMGWWAFXLURHPE-MRXNPFEDSA-N 459.547 1.214 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 1654615026 FUEMDZHMFQSCHJ-INIZCTEOSA-N 456.528 1.210 30 10 JDEE C#CCN(C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C)[C@H]1CCS(=O)(=O)C1 1658025228 RGNYGZFFHKLEGP-KRWDZBQOSA-N 453.586 1.824 30 10 JDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC 1666604830 WVBQVAZTGVLNOH-ZDUSSCGKSA-N 450.966 1.414 30 10 JDEE C=CCN(C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)OC)c1)[C@@H]1CCS(=O)(=O)C1 1668796490 HRBUFKHGNUIODA-CYBMUJFWSA-N 451.954 1.729 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc3c(s2)CC2(CCOCC2)CC3)CC1 1670064404 MMIUPVORHXJPRO-UHFFFAOYSA-N 453.590 1.046 30 10 JDEE N#Cc1ccc(OC2CCC(NC(=O)NCCS(=O)(=O)N3CCSCC3)CC2)nc1 1684065204 DFVMWMBHSJBLBG-UHFFFAOYSA-N 453.590 1.321 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@]1(N2CCOCC2)CCSC1)[C@@H]1CCS(=O)(=O)C1 1689990588 QHJTZHXJYOXCMA-AUSIDOKSSA-N 495.715 1.701 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2cccnc12 1690046959 IPSJOGYVHYQWOG-OAQYLSRUSA-N 478.578 1.670 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](OCC)c2ccccc2)CC1 1690124829 VHIVNKXPWYSXEX-NHCUHLMSSA-N 457.600 1.713 30 10 JDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1690164064 ZUVOIJCYWHXJHI-GOSISDBHSA-N 479.614 1.980 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690243523 LSOJDTJWLQWGEX-LPHOPBHVSA-N 461.592 1.577 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690660415 GYFZYTPRZWMNRO-QZTJIDSGSA-N 461.588 1.960 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1690662318 ZBRRANVIRSPREV-PXNSSMCTSA-N 487.557 1.657 30 10 JDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)[C@@H]1CC 1690736450 FCXGNZTVAHABEH-SFHVURJKSA-N 478.644 1.829 30 10 JDEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)CC1 1695962643 CDPOCEHFAPHEAW-UHFFFAOYSA-N 453.547 1.818 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)N1CCN(CC)CC1 1705481865 NYCZKXOJRJKTAL-MOPGFXCFSA-N 458.632 1.833 30 10 JDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1705513576 RIBZFGVPROUJFA-IBGZPJMESA-N 458.588 1.774 30 10 JDEE C#CCCCCn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1705521934 PZDVZPXHHQAWEP-DEOSSOPVSA-N 459.591 1.809 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCN(CC)CC1 1705595922 LHKKYUOEMQGZGK-UHFFFAOYSA-N 465.602 1.886 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](COC)OC 1705620216 OGDPJMFCRBQWAV-PKOBYXMFSA-N 450.536 1.621 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)C(C)C)CC1 1705645153 MIUXKHVLTFPKAV-DNQXCXABSA-N 461.607 1.692 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1705904333 MMGFYUQNXLBXNM-ZACQAIPSSA-N 486.664 1.024 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cnc(C)s2)C1 1705924313 BZDZXBLCKUUOLE-DOTOQJQBSA-N 468.605 1.206 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1705932792 ZRRUSDPWNQRGEB-UHFFFAOYSA-N 495.609 1.702 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1705938156 OSVLLZYGLXPAMG-VGSWGCGISA-N 480.562 1.981 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C)C(C)(C)C2)CC1 1705989854 DPGCKRGYOLNVKL-UHFFFAOYSA-N 450.591 1.511 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(O)CCS(=O)(=O)C1 1722284360 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461.588 1.871 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(Cc3cccc(F)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1705909188 PUEVEKNEUKRZSP-XMMPIXPASA-N 472.565 1.694 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCC(F)(F)F 1708152211 AMNQEHZIDDNIMQ-KGLIPLIRSA-N 463.468 1.948 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1722358655 DYDYEMUJJUTWGZ-AVRDEDQJSA-N 460.556 1.386 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1722361236 GBUOQVFOJQMCIW-GCJKJVERSA-N 460.556 1.386 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1722372066 OOJCETUAGALKIV-NRFANRHFSA-N 497.625 1.862 30 10 JDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(C)CN(C)C1=O 1722398651 GNTCPOBFCXIYSJ-MHZLTWQESA-N 473.625 1.584 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1c(C)noc1C 1722427783 ZKBHTZDYDSSRRV-CRAIPNDOSA-N 480.591 1.106 30 10 JDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722534016 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1.938 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCn2cc(Br)cn2)CC1 1748987365 VIDBYGBAOVKZAE-UHFFFAOYSA-N 458.368 1.483 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1749229260 IERZVTCDGXZIOD-KRWDZBQOSA-N 469.608 1.830 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCn2nc(C)nc2C1 1749368547 LUTUYMAQIKTDSQ-MRXNPFEDSA-N 464.596 1.133 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC 1749600009 PEQTXCUFOVKVBU-INIZCTEOSA-N 452.556 1.361 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1749652052 GUTJRAYYPWPPJQ-IBGZPJMESA-N 478.351 1.379 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccsc2)C1 1749713818 ZATYQZMOVNGROG-ROUUACIJSA-N 467.617 1.697 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@]2(CCSC2)C1 1749740592 GWWCCCCPOFSUKZ-ZWOKBUDYSA-N 456.634 1.936 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCOCC1 1750075729 HHFFYFYDTDNXJD-RXVVDRJESA-N 472.615 1.657 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(N(C)C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1760186844 AWUOYLQABPOUEP-SFHVURJKSA-N 471.562 1.559 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1760192503 VDVZPZHLCHJPEF-FQEVSTJZSA-N 468.583 1.823 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)CCOC 1760211161 CMTCTKWPTPVTKL-QHCPKHFHSA-N 472.615 1.797 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N1CCN(CC)CC1 1760216774 AOPVNXUUCHDKEK-OAQYLSRUSA-N 496.685 1.727 30 10 JDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1760228288 ZWDKNHHNXJEHDN-QFIPXVFZSA-N 461.588 1.668 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2c[nH]c3c(C)cccc23)CC1 1760254247 RXTZGSOYVSCSFP-SFHVURJKSA-N 469.615 1.676 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(CC)ns2)CC1 1760285062 WRNNWSHXTBNKLH-UHFFFAOYSA-N 460.633 1.507 30 10 JDEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@@H]1CC 1760357125 FATVZOMBDQRUOO-ZWKOTPCHSA-N 478.594 1.894 30 10 JDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1760372455 KKXCOJKMMGGVGH-OAGGEKHMSA-N 498.009 1.558 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1760381887 CTXQRALGISKKLN-HZPDHXFCSA-N 480.557 1.698 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)c(O)c2)CC1 1760389568 NOCPENSUAQIXFL-IBGZPJMESA-N 463.560 1.530 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C[S@@](C)=O)cc1 1760464212 BXPBGDOGANXHRC-YVGXBJCXSA-N 467.617 1.160 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2cccnn2)CC1 1760554251 WYJKCJPWDSPRSD-UHFFFAOYSA-N 454.560 1.366 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1760555767 MSSKHXRLXWWQBM-WMZOPIPTSA-N 450.609 1.141 30 10 JDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2(=O)=O)C1 1760639976 FZIGLRMCFIGDRV-VQTJNVASSA-N 456.572 1.889 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC1(N2CCSCC2)CCCC1 1761462864 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JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@H]21 2282514410 CNMPOYAGWSNLGL-ZWKOTPCHSA-N 459.352 1.841 30 10 JDEE CN(C[C@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1)C(=O)OC(C)(C)C 2282683491 DWFIQAOPSHTDSZ-OAHLLOKOSA-N 463.388 1.833 30 10 JDEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282830761 ZPEPAYNJPHXWDM-CABCVRRESA-N 484.428 1.643 30 10 JDEE CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)(C(=O)O)C1 2282844559 FXZUXHVDUIUWIQ-UHFFFAOYSA-N 482.364 1.338 30 10 JDEE CC(C)(C)OC(=O)NCCO[C@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283071080 AMICNMSEXJTEBO-HNNXBMFYSA-N 462.356 1.532 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2284135635 RXRAHMHIUPTCCG-USXIJHARSA-N 463.340 1.051 30 10 JDEE Cc1sc(C(=O)NC[C@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2359266610 KDOJVUAFNYQXHZ-YQQAZPJKSA-N 482.408 1.427 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)N1CC(B2OC(C)(C)C(C)(C)O2)=CCC1(C)C 2362680841 ZVAGJADZTUIOOZ-ULQDDVLXSA-N 466.384 1.896 30 10 JDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CC(=O)NC)C1 2369372091 VZSSUAHRGVJQLU-VTPMOLMCSA-N 478.590 1.877 30 10 JDEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)NCCCN2CCCS2(=O)=O)cc1 608798521 NXFRBGJEPMKGES-UHFFFAOYSA-N 472.523 1.839 30 10 JDEE C=CCn1cc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)nn1 1129930952 WLZWCWLOWMLWAS-UHFFFAOYSA-N 454.350 1.941 30 10 JDEE CNC(=O)COc1cccc(CC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c1 1165558321 GETCBKPENUPPIZ-UHFFFAOYSA-N 458.522 1.964 30 10 JDEE C=C(C)CN1CCC(NC(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CC1 1225031192 OEBNDNYCMLDNLZ-FQEVSTJZSA-N 450.605 1.984 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1286349781 OHGSMAPBCFULNV-WOJBJXKFSA-N 477.587 1.803 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1286380346 BSVBIKUQEBKAEI-OAHLLOKOSA-N 470.393 1.709 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1286380965 KKBVWGRXXHVJNU-NHCUHLMSSA-N 490.674 1.509 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286389949 TYYDLYRUBGYGSW-HXUWFJFHSA-N 465.583 1.888 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286390596 BTIYIDNZLIHIJZ-SFYKDHMMSA-N 474.583 1.066 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1286394764 WSFMBNNGJZIELM-FCHUYYIVSA-N 486.642 1.247 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccnc(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1286398127 GQUQUFJYHSEZBI-HZPDHXFCSA-N 467.498 1.801 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C(=O)NC)C1 1286563940 LQLUTCGETCSGRV-GJYPPUQNSA-N 474.587 1.202 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1286592436 FHDUKYWXYBMNLI-MRXNPFEDSA-N 498.009 1.678 30 10 JDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1286593726 QGGMUDIOAHNXHX-KRWDZBQOSA-N 453.613 1.294 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CC1 1286741238 DYPJKTOGAGGWTD-LJQANCHMSA-N 489.623 1.822 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCS(C)(=O)=O 1286741455 HPPWFZCIUOJRLY-IBGZPJMESA-N 477.612 1.679 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1286789225 CMBOQTGSECEIAL-UHFFFAOYSA-N 463.517 1.554 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](CC(N)=O)C1 1286820838 SRLBYHGNGOJFPP-VQIMIIECSA-N 475.571 1.483 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286821151 BSWITFQUBQFGFT-GOSISDBHSA-N 482.628 1.492 30 10 JDEE C#CC[C@@H](CCOC)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1287421643 ZYDSBNGGJCSKSA-IBGZPJMESA-N 450.557 1.809 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCOc1ccc(S(C)(=O)=O)cc1 1300304456 ONBZTJTVRJDEJC-OAHLLOKOSA-N 471.539 1.946 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1300482000 CZYYPLALHWSQSU-JKSUJKDBSA-N 482.404 1.852 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300498173 IEOAMLNEDPHUDY-GOSISDBHSA-N 463.991 1.627 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300501365 KNQBTRDEAVSCTF-LJQANCHMSA-N 471.583 1.496 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCS(C)(=O)=O)CC1 1300710875 ORAGHJRSWDMMPK-HDICACEKSA-N 480.635 1.239 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@H](C)CN2CCOCC2)CC1 1300729332 WBJBZBUKNXMSBY-HXUWFJFHSA-N 456.635 1.945 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)CCS(C)(=O)=O 1300885378 PCAFMSXGEFBOLX-ZACQAIPSSA-N 460.622 1.032 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1300913667 YXIAGIWHCAUFBX-FGTMMUONSA-N 450.609 1.836 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCNC(=O)[C@@H](C)CCC)CC1 1301086325 HTFMMOKPWRXBES-ZWKOTPCHSA-N 468.624 1.320 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(C(N)=O)c2)CC1 1301086985 QWOHZKNPKGZGLT-LJQANCHMSA-N 474.587 1.109 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCS(=O)(=O)C1 1301346597 GEJFORXNYWSDRB-SJLPKXTDSA-N 467.617 1.516 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1301458869 HFJBLFQMTGBSOF-SFHVURJKSA-N 462.532 1.874 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1301491648 MMPYDVODLDQQMF-OAQYLSRUSA-N 460.542 1.838 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC)C[C@H]1CCCO1 1301496750 GLYCLWSMMDVSDN-QGZVFWFLSA-N 465.558 1.982 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1301515014 OSGOTTDQJRFNQO-PZJWPPBQSA-N 468.602 1.879 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCOC2)C1 1301555263 AHXURXRXNBHESH-PNCHPQGNSA-N 479.578 1.519 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1301578862 JOFGKTHMKHIKFV-GOSISDBHSA-N 460.604 1.930 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1301589401 RIFQCCBFJURZMY-QGZVFWFLSA-N 495.627 1.164 30 10 JDEE CC(=O)N1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 1301677141 CHLSXYJZXOGABQ-LEWJYISDSA-N 499.641 1.841 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nc2ccccc2[nH]1 1301967383 CIIVHDKMGKQPJU-QFBILLFUSA-N 486.602 1.716 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCN(C)C(C)(C)C1 1303635175 BCEYJDFUZKRIOM-SFHVURJKSA-N 477.617 1.956 30 10 JDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1304902844 BPLNTYIBQAFPQN-CRAIPNDOSA-N 477.491 1.747 30 10 JDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOCC2(C)C)C1 1314990882 FRVVKCDLOXZNOR-FQEVSTJZSA-N 451.575 1.890 30 10 JDEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1315084418 ACJXKKCLITWQIG-LJQANCHMSA-N 482.541 1.367 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 1316101138 CYPKUVLOFPYATA-JKSUJKDBSA-N 478.541 1.431 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCN(CC)CC1 1358877004 VKULAWPIEXDLNI-FQEVSTJZSA-N 487.674 1.681 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1358956309 DHTUFOXHAVBXSF-OAHLLOKOSA-N 482.404 1.709 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1358966594 RWXYGWVKRNKMEY-MOPGFXCFSA-N 468.645 1.605 30 10 JDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1358982296 QUGUMMUYQHQOBE-SFHVURJKSA-N 494.543 1.996 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCC(C)CC2)CC1 1359040100 IGQGCEKKDFUJTA-UHFFFAOYSA-N 469.634 1.602 30 10 JDEE C#CCSCCn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359062405 GWUWHTSXKXXKDS-IXDOHACOSA-N 478.619 1.366 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1359216077 OJMIHJJUZYBAPU-UYAOXDASSA-N 483.635 1.599 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)nc1 1359281815 JZYJKNLVKFMDJO-MRXNPFEDSA-N 470.983 1.347 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359287644 OYSBBAIZIDTJQD-KRWDZBQOSA-N 484.623 1.633 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CC(=O)N(C)[C@H](C)C1 1359329330 FYPNOSNGAAHMCF-CQSZACIVSA-N 482.404 1.975 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CN2CCOCC2)C1 1359334431 FKNHFIIUTKJFIE-OAQYLSRUSA-N 491.662 1.289 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc3c(Br)ccnc23)CC1 1476608173 FBTKYISMKZMJDB-UHFFFAOYSA-N 452.334 1.614 30 10 JDEE C[C@@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)CCCO1 1494522526 DVGYXHGTXYIAJZ-GOSISDBHSA-N 460.604 1.798 30 10 JDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CC1CCS(=O)(=O)CC1)[C@H]1CCS(=O)(=O)C1 1501566524 IEBLEDSBGOHERN-IBGZPJMESA-N 477.612 1.655 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1507518983 OSGPBULDFYYTEA-VWNVYAMZSA-N 465.620 1.592 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccsc1 1507539322 UQACDXIHKAYTGL-GMBSWORKSA-N 453.590 1.038 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1507563293 DTPOTEOQBHKKHS-QRVBRYPASA-N 451.593 1.420 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)(C)C)C1 1507564004 LMKOKLLJOXLESP-MSOLQXFVSA-N 453.609 1.666 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1507626280 FFQGIWGFCRCKRH-KRWDZBQOSA-N 487.582 1.115 30 10 JDEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(=O)N1CCOCC1 1507702064 FNYHDLMIPHHQLL-FQEVSTJZSA-N 455.559 1.980 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CC[C@]3(CCOC3)O2)CC1 1507733864 MZROJTXWHAEKQE-NBGIEHNGSA-N 486.617 1.500 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C)cc2OCC)CC1 1507738773 YERCARGAGVVONN-HXUWFJFHSA-N 464.570 1.950 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2cccc(C)c2)CC1 1507739236 ODZMKWWJFIPZSK-PZJWPPBQSA-N 499.637 1.922 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H]1C 1507795693 FHBOHBNADONKFO-OYSTVDSJSA-N 453.609 1.827 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1508090466 NRECVAUGLGJZML-IBGZPJMESA-N 470.549 1.505 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H](C)C(=O)NC 1508091099 RSSBUBLKRWVXAL-IAGOWNOFSA-N 477.610 1.513 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)cc1 1508100733 NWMGHAUCWCZDMB-QWFCFKBJSA-N 490.582 1.154 30 10 JDEE CC(=O)N1CCN(CCn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)[C@H](C)CC#N)CC1 1508276995 DHEBFOQAILYEKG-LJQANCHMSA-N 480.621 1.355 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)(C)C)CC1 1508277311 PAQTZIDCVJILTK-UHFFFAOYSA-N 466.590 1.332 30 10 JDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCS(=O)(=O)C1 1509302216 HNQIWLWFLGYWFE-DLBZAZTESA-N 457.622 1.381 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCS(=O)(=O)c1ccccc1 1510194624 ICYHLMXPGMKAAM-UZLBHIALSA-N 480.616 1.492 30 10 JDEE Cc1cccc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCCS(C)(=O)=O)n1 1511125116 CJTWJCHJFOJXII-UHFFFAOYSA-N 466.571 1.677 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC2)C1 1516023423 GRBVSTVLHVKXRD-MJGOQNOKSA-N 460.560 1.283 30 10 JDEE C#C[C@@H](NC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O)C(C)(C)C 1525076653 VSNFBFWTOJONBL-GOSISDBHSA-N 451.527 1.219 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1539597180 TZCREUAPALIZME-LSDHHAIUSA-N 462.414 1.846 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1540862074 QLMGXFOOGKGYSF-KRWDZBQOSA-N 455.538 1.671 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1c[nH]c2ccccc12 1540871479 MQVPIZWAHUPUMW-MRXNPFEDSA-N 456.572 1.990 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(CC3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540875904 BCZPEPQSLPJBQI-XMMPIXPASA-N 476.622 1.170 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@@H]1C 1540879358 AUPPEOMXMJAXNB-HOTGVXAUSA-N 462.576 1.168 30 10 JDEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1548178206 DVKRGCVOYTVQMR-FQEVSTJZSA-N 458.588 1.443 30 10 JDEE Cn1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCS(=O)(=O)N2CCSCC2)cn1 1554329381 AQUACWZDTXAMLK-IBGZPJMESA-N 464.621 1.187 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCS(=O)(=O)C1 1587575478 WAXRWWGVAUZRLM-YVEFUNNKSA-N 456.366 1.054 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC(F)(F)CO2)c1 1587683090 AWVFLIMQMKMPJH-KRWDZBQOSA-N 460.485 1.897 30 10 JDEE C#CCCCn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1587893896 JYYDZMHYTSBBNR-HDICACEKSA-N 460.579 1.757 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)c1 1587990348 WAVAEXHEQZFOQB-INIZCTEOSA-N 457.478 1.748 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1588030286 SBFXDUHREIMPPY-WOJBJXKFSA-N 499.641 1.673 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1588045464 LJXYZSFOJVJZDQ-CVEARBPZSA-N 495.399 1.750 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCS(=O)(=O)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588058933 FQQBWGZTZCWYNG-HXUWFJFHSA-N 478.640 1.718 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1588069244 KAOWSWKUZNNQLS-HXUWFJFHSA-N 468.583 1.823 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ncn(C)n2)CC1 1588908063 KJQRFKMXNJYRSJ-UHFFFAOYSA-N 464.530 1.105 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCCC2)CC1 1593746683 KYEXOVDDPDYZPV-NRFANRHFSA-N 496.678 1.658 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1595760475 NGHAQJAAFUMFMM-UHFFFAOYSA-N 475.615 1.902 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1Cc1nnc2n1CCCCC2 1611672863 AQRSEPYKWDONSO-OAHLLOKOSA-N 461.596 1.385 30 10 JDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCCN(C)C)[C@H]1CCS(=O)(=O)C1 1621639603 OYOHPZLOIPGVGE-JKSUJKDBSA-N 452.017 1.990 30 10 JDEE COC(=O)c1cn([C@@H]2CCN(S(=O)(=O)c3cc(Br)c(C#N)cc3F)C2)nn1 1622003375 HVVOEOXLLNENGG-SNVBAGLBSA-N 458.269 1.474 30 10 JDEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)s1 1632490576 HHYPVTGZDNAIFC-GFCCVEGCSA-N 452.023 1.600 30 10 JDEE CC(C)[C@H](C#N)N1CCN(C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cn2)CC1 1651699340 DIVYWQXOQWLCQW-SFHVURJKSA-N 451.618 1.651 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCC1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1689982837 VQTVULIYGDRDFZ-XUZZJYLKSA-N 493.674 1.679 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689994358 WRKBHXRRAFAMOV-PZJWPPBQSA-N 483.642 1.874 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1689997003 UCNXMEHKGGFSSL-BZSNNMDCSA-N 491.639 1.569 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC[C@@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689997184 XNCFWROHYQHOGS-IAGOWNOFSA-N 488.536 1.734 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ncccc1Cl 1690046301 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C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1722448227 WOOOOTONHMNBOO-NRFANRHFSA-N 485.677 1.775 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cnn(CCOC)c2)CC1 1722448615 FDUCVAIZXAKMIJ-UHFFFAOYSA-N 462.558 1.121 30 10 JDEE C=C(Cl)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1722545795 BNUVFXKAKJEQRK-AWEZNQCLSA-N 451.984 1.966 30 10 JDEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722620147 CZHLEFBRXNQFEA-INIZCTEOSA-N 489.374 1.733 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1722699933 QFHSJQASWBFVSH-UHFFFAOYSA-N 464.567 1.429 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C(=O)N(C)C)c2)C1 1722709996 BSZWYMLSBUOYKR-LPHOPBHVSA-N 476.603 1.420 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1722729684 UHHJQGFDQHZSRV-KRWDZBQOSA-N 467.979 1.074 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccnc(OCC2CC2)c1 1723933600 FVJZFEFYDATTKD-VLIAUNLRSA-N 463.539 1.562 30 10 JDEE 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462.551 1.796 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1760185196 RVZFHZPYEXHARA-BEIWTESXSA-N 464.569 1.069 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1760186391 CCVGBBCOVUDXON-PMACEKPBSA-N 476.647 1.368 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(OCC(=O)N(C)C)c1 1760208828 KKBVDHHINWPKKF-UHFFFAOYSA-N 450.543 1.395 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCCN2CCCO)CC1 1760251418 AAWNLDBAUYDWQE-QHCPKHFHSA-N 479.629 1.749 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC[S@@](=O)CC)CC1 1760271740 JQZUGIRRMWBRFC-YTTGMZPUSA-N 457.600 1.612 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)[C@H](C)CC)CC1 1760273426 UAXOCKHQVVSLMP-OKFYXZINSA-N 461.607 1.765 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@]2(CCOC2)C1 1760523785 HQMPJZLLYAWEAB-MHECFPHRSA-N 490.605 1.691 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1760527106 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2256624144 KAJYXOWSBIGVIU-ZDUSSCGKSA-N 455.386 1.849 30 10 JDEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C 2267011177 AIPUMQGMZDHVED-INIZCTEOSA-N 451.373 1.813 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=[S@]2(=O)CC[C@@H](NC(=O)OC(C)(C)C)C2)n1 2267115980 MGYHULWSRRFEDY-GGQVQLDRSA-N 469.373 1.020 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCO1 2267142939 ATJRWKPBEVHSEV-KGLIPLIRSA-N 450.345 1.511 30 10 JDEE CC(C)(C)OC(=O)NCC12CC(NC(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)(CO1)C2 2267477932 RGVNBIFZFSNDCQ-UHFFFAOYSA-N 465.381 1.998 30 10 JDEE CON(CCCNC(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267524122 LMNIBBPDRCJHJU-UHFFFAOYSA-N 452.361 1.946 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267718911 ZUSWNGZFUVBLQY-AWEZNQCLSA-N 470.401 1.349 30 10 JDEE COC(=O)[C@@H](CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2268669167 CFKAYZIDOMUFSJ-CYBMUJFWSA-N 469.369 1.515 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C1CS(=O)(=O)C1 2268703130 KMLJOLXSUAQZAK-CYBMUJFWSA-N 487.409 1.319 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2271975395 BSBMBBBZQDMCLQ-ZFWWWQNUSA-N 470.401 1.301 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CCO 2281810794 UPCHOLBZJPZAPD-INIZCTEOSA-N 461.368 1.825 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 2282022785 JAVVBKIVGQSEET-IBGZPJMESA-N 454.380 1.833 30 10 JDEE Cn1ncc(CNC(=O)OC(C)(C)C)c1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282040541 KMWHOZOYRJZFOM-UHFFFAOYSA-N 460.344 1.730 30 10 JDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282490457 JSRWEPIFJUJQDY-RYUDHWBXSA-N 497.370 1.804 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282535324 MVRPAMVRSJLOJE-OAHLLOKOSA-N 465.331 1.886 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC12CCC2 2282682123 KUCICKSHXGSBAI-UHFFFAOYSA-N 461.372 1.730 30 10 JDEE CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282839755 IRKLDFJXEIBUDY-UHFFFAOYSA-N 472.380 1.180 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21 2282859095 HRVOPVZPAXIILB-ZNMIVQPWSA-N 482.412 1.396 30 10 JDEE CC1(C)OB(c2cc(C(=O)N3CCC(NC(=O)C(F)(F)F)CC3)c(O)cc2O)OC1(C)C 2286120693 NASBNLKXCNIHBM-UHFFFAOYSA-N 458.242 1.680 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315684695 QAYOMZXTBOPJPZ-CHWSQXEVSA-N 453.370 1.542 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)n1C 2362340363 NFVGRXAKCLIUEQ-HNNXBMFYSA-N 466.388 1.328 30 10 JDEE C=CCn1c(=S)sc2c(=O)n(CC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)cnc21 14753520 XCTREPOCLLNCHU-ZDUSSCGKSA-N 456.615 1.847 30 10 JDEE COc1ccc(CCNC(=O)CSc2n[nH]c(N/N=C/c3cn(C)nc3C)n2)cc1OC 20424134 SCIFVKITGDHSGZ-LSHDLFTRSA-N 458.548 1.761 30 10 JDEE COCCCNC(=O)/C(C#N)=c1/s/c(=C/c2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccc(C)cc1 102963512 YPKDMOLMSBGEPH-KKYBAHIESA-N 478.530 1.771 30 10 JDEE NC1=C(c2nc3cc(N4CCCCC4)ccc3[nH]2)C(=O)CN1c1ccc(S(N)(=O)=O)cc1 170178661 YGBUEFUIJLKKPA-UHFFFAOYSA-N 452.540 1.917 30 10 JDEE CCc1cccc(OC[C@H](O)Cn2c(NN=Cc3cccnc3)nc3c2c(=O)n(C)c(=O)n3C)c1 254405658 HTXXSXLCDNJKLG-GOSISDBHSA-N 477.525 1.277 30 10 JDEE Cc1cccc(N2C(=O)N[C@@H](CCC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2=O)c1 502920326 SDVYTVADEBPEEC-FQEVSTJZSA-N 495.561 1.605 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)CCc2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)CC1 512718574 PWYFGLBPFLFGOB-HNNXBMFYSA-N 457.600 1.901 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](NC(=O)c2ccc(OC)cc2)c2ccccc2)CC1 589090207 AMVLLAAGLGVETL-QHCPKHFHSA-N 450.539 1.613 30 10 JDEE Cn1c(=C(C#N)C(=O)Nc2ccccc2Br)sc(=Cc2cnn3ccccc23)c1=O 729670077 ICUBNLQVBBEGCE-UHFFFAOYSA-N 480.347 1.999 30 10 JDEE C#CCN(C(=O)c1cc(C(C)C)nc2c1c(O)nc(=O)n2CC(C)C)[C@@H]1CCS(=O)(=O)C1 918756628 VLFPDCCVOZPELK-OAHLLOKOSA-N 460.556 1.539 30 10 JDEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3cc(OC)ccc3OC)n[nH]2)cn1 1084656605 PCEYOZKWEIMLMZ-UHFFFAOYSA-N 460.520 1.842 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCCC)cc1 1286296603 PWRIBLBXKDYPPF-XLIONFOSSA-N 461.588 1.906 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)CCOC)c1 1286309494 LEEPWQIGSKDAHA-FDDCHVKYSA-N 454.531 1.073 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)[C@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1286385204 VVARNPDHLOPLJY-NQIIRXRSSA-N 482.610 1.996 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1286391840 JHKDQZFMEOJJHR-HOTGVXAUSA-N 462.601 1.287 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286395269 MKSRFOZPSWKLFQ-LJQANCHMSA-N 471.583 1.279 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(CC)n1 1286431977 UYABQVIPXUHYLM-KRWDZBQOSA-N 462.601 1.141 30 10 JDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)Cc1ccccc1 1286435923 NOQGOVZMXLUHFH-UHFFFAOYSA-N 452.540 2.000 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](OC)c2ccc(Cl)cc2)CC1 1286473184 YIWCQXFRISWIEF-LPHOPBHVSA-N 481.022 1.685 30 10 JDEE C=C(Br)Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1286547239 FTIKAELFRWRWBE-IFXJQAMLSA-N 483.367 1.312 30 10 JDEE C=C(Br)Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1286547240 FTIKAELFRWRWBE-KUHUBIRLSA-N 483.367 1.312 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)C1 1286557578 WHRJUKKHFFVWDF-KSZLIROESA-N 469.608 1.207 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286561635 CHWKIMMNZDPXDQ-GBXCKJPGSA-N 487.649 1.372 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCCC[C@@H]2C1 1286791633 XWMOOTWGRNLSMP-MOPGFXCFSA-N 489.621 1.563 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nnc(C(C)(C)C)s2)C1 1286800739 PXPLMDIYZZUZPY-KBPBESRZSA-N 469.637 1.867 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1286818893 RPGUHWLDHPHBKW-UHFFFAOYSA-N 452.544 1.467 30 10 JDEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCN(C(C)=O)CC1 1299909877 FTAHRYOJZBFQEF-GOSISDBHSA-N 473.965 1.500 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCc2cnn(C)n2)c1 1300333114 WERHBUQMYJOOJE-IBGZPJMESA-N 461.530 1.047 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1300381964 XWZDTTFQTDIXPD-IBGZPJMESA-N 469.615 1.886 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1cnn(CCOC)c1)[C@@H]1CCS(=O)(=O)C1 1300488918 XEQMUBLFJHGRLN-GOSISDBHSA-N 472.546 1.602 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1300491361 HJWIHVLTWFCCCR-IAGOWNOFSA-N 476.603 1.363 30 10 JDEE C#CCN(c1nnc(CC)n1Cc1ccccc1CN1CC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1300499875 ZBCLREYLEBOJNG-SFTDATJTSA-N 457.600 1.082 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCn2cc(CO)nn2)CC1 1300707567 GIAXVJGFXXCERE-UHFFFAOYSA-N 464.574 1.403 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccn(C)n2)CC1 1300715866 GSFSSYVNLIJNLY-HSZRJFAPSA-N 455.563 1.066 30 10 JDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1300997477 WBGAPYYUQHAPQS-UHFFFAOYSA-N 484.649 1.867 30 10 JDEE C=C(C)COCCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1301001365 HRFBTHOMGAWJHB-QHCPKHFHSA-N 473.578 1.498 30 10 JDEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1301453917 GIASNRLWSRZDKU-MRXNPFEDSA-N 471.587 1.940 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCC(O)(C(F)(F)F)CC1 1301567658 KTIIKENQKWXZPD-UHFFFAOYSA-N 481.541 1.691 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1301578448 AWHGTJJFELMZFX-LJQANCHMSA-N 457.560 1.735 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)Nc1cc(I)cc(C(=O)OC)c1 1310499891 WEXDXFYYURMPKU-UHFFFAOYSA-N 452.270 1.800 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(OC)nc1OC)[C@@H]1CCS(=O)(=O)C1 1358961777 FEPYTQYIIUENIR-ZWKOTPCHSA-N 475.571 1.259 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1358964988 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C#CCN(c1nnc(-c2ccccc2C)n1C[C@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588044972 DQBSXNWXSLRPDM-TZIWHRDSSA-N 471.627 1.849 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588053600 GEYQZOAHVTWURC-ICSRJNTNSA-N 497.687 1.071 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1csc(C(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1588055513 WZYZLRVBZKMPOQ-SJORKVTESA-N 476.628 1.679 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1588094299 YJIYGKBZRYFBTB-CZIZESTLSA-N 482.342 1.645 30 10 JDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC1(C(=O)N(C)C)CCCC1 1588158449 BUXUYVZWTXPCSF-UHFFFAOYSA-N 452.584 1.991 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)nc1 1588233258 FLQOGFOVGQPLHD-QGZVFWFLSA-N 462.963 1.171 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCOCC2)c1 1588386087 MSLMCRYBGCZIBH-GOSISDBHSA-N 459.572 1.641 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[C@@H]2CCOC2)CC1 1588835559 BGQMMROBBSRSPS-WOJBJXKFSA-N 474.606 1.768 30 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CC[C@@H](C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)OC 1693971418 FPPSSPYDUFWHKM-XLIONFOSSA-N 476.603 1.871 30 10 JDEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1705544058 YAYZXTWBKQNKPB-UHFFFAOYSA-N 478.557 1.046 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1705568100 HOIQDQSXEGGBGV-LJQANCHMSA-N 469.571 1.392 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1705568779 VCPANXYIFCZQIR-FQEVSTJZSA-N 479.566 1.642 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCNS(C)(=O)=O)CC1 1705645088 KTCFQLLCHWPNGM-FQEVSTJZSA-N 472.615 1.335 30 10 JDEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C(N)=O)CC1 1705651778 HMROONGQSVHSOR-UHFFFAOYSA-N 460.991 1.930 30 10 JDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)COC)CC1 1705813145 WSIOVQAUQGOTPQ-UHFFFAOYSA-N 476.603 1.457 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(=O)OC)C1 1705912254 DZJULSPBIGISAF-WBVHZDCISA-N 463.560 1.501 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1705934899 AFDUOCAMHWHESG-PMACEKPBSA-N 464.563 1.993 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1705966594 LKADTDSTOFGDBO-RBBKRZOGSA-N 468.558 1.839 30 10 JDEE Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)c(F)c1 1707499908 HNFCANTYMKVDEI-XLIONFOSSA-N 466.514 1.549 30 10 JDEE N#Cc1ccc(N2CCN(c3nnc(Cc4ccncc4)n3CC(=O)NCC(F)F)CC2)nc1 1712880800 HKWBRFRLMUUQFZ-UHFFFAOYSA-N 467.484 1.238 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CN1CCCCC1 1722296622 SPZFDLPTVLDGJP-GBESFXJTSA-N 452.625 1.191 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722325872 PHQORGCDIWMAIU-OAQYLSRUSA-N 462.597 1.777 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNS(=O)(=O)c1ccc(C)s1 1722346641 UPNSHXHBIOBHJW-UHFFFAOYSA-N 493.636 1.766 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1722368432 RMIRCHFADXZCED-HKUYNNGSSA-N 480.587 1.189 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2CC2(O)CCCCC2)n1 1722428569 XWHQSGBSTBVXPY-UHFFFAOYSA-N 450.547 1.913 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(C)COCCO2)CC1 1722436409 FVCCZMGMBUFBRK-RUZDIDTESA-N 488.633 1.953 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCN(C3CC3)CC2)CC1 1722441255 OXYNMVNJGISCPS-UHFFFAOYSA-N 455.607 1.257 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccncc2Cl)CC1 1722450065 VZYKFVFGEBYKOR-UHFFFAOYSA-N 455.950 1.463 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cc([C@H]2CCOC2)cn1 1722466961 JBOKLCQGTKMOOW-XGHQBKJUSA-N 461.592 1.281 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1722702338 HZKPWVCXFGIRJR-VCOUNFBDSA-N 471.558 1.891 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1722706612 VDUDOWNFGFOSBM-QGZVFWFLSA-N 457.510 1.339 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1722724870 IQXZVNMBPIYEIU-UHFFFAOYSA-N 480.635 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C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1749170075 BXRGMKOYWXCJSL-UHFFFAOYSA-N 474.569 1.940 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1749629817 HBFZPAFGFYDIAD-IBGZPJMESA-N 492.577 1.335 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1749669383 KBBOEDUYKBHZMX-MAUKXSAKSA-N 479.990 1.714 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1749680737 PLQZPPGVMVLWCF-SFHVURJKSA-N 461.588 1.735 30 10 JDEE Cc1ccc(SCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)cc1 1751587991 HPKROWLCERKYAT-KRWDZBQOSA-N 477.612 1.547 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCC[C@@H]2C)c1 1760125812 MDIWKIBWSOYANQ-QQMNAOGKSA-N 488.614 1.496 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(OC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760184458 XNRGQPNZTNFXFM-QGZVFWFLSA-N 451.593 1.392 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H]1COCCO1 1760240518 UDQPYNGJNIISNL-QFBILLFUSA-N 465.551 1.473 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1760315292 CGTDRZBRMQEKHS-YRXWBPOGSA-N 482.651 1.611 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C2CC2)CCO1 1760673524 HABKCZIRYBSWMT-HTAPYJJXSA-N 467.574 1.553 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1767847140 GROGAEJRKFIVTN-UHFFFAOYSA-N 486.627 1.453 30 10 JDEE CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)CCOC1 1768236943 AHTXEPGFFJBBJI-QHCPKHFHSA-N 454.531 1.626 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1CCC[C@@H]1NC(=O)NC1=O 1772523324 HALHMNMUWSVXOZ-GAJHUEQPSA-N 452.515 1.943 30 10 JDEE N#Cc1c(NC(=O)COc2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)sc2c1CCCC2 1865751452 TVHWECMIWPJWRC-HNNXBMFYSA-N 492.513 1.917 30 10 JDEE CSCC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N(CCN)C(C)=O 1868781940 CFMQDQCGZROCBW-ZWKOTPCHSA-N 465.645 1.596 30 10 JDEE C=CCN(CC=C)c1nc(=NCc2ccc(S(N)(=O)=O)cc2)[nH]c(=Nc2ccc3c(c2)OCO3)[nH]1 1871536311 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C=CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)CC1 32464327 WYIHDOXFYYBDOD-UHFFFAOYSA-N 460.531 1.687 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(c4ncccc4C#N)CC3)nnc12 105354396 GESXQMLYRWTEHL-UHFFFAOYSA-N 486.561 1.938 30 10 JDEE Cn1c(=O)c2c(nc(N/N=C/c3ccc(O)cc3)n2C[C@@H](O)COc2ccccc2)n(C)c1=O 107227945 KLOIXYWIHUYNJQ-FQIOEHTJSA-N 464.482 1.025 30 10 JDEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1cccs1 729670632 ZBPMOZLQPHCUIN-UHFFFAOYSA-N 477.571 1.029 30 10 JDEE COC(=O)c1ccc(C=NNc2nc(SCC(=O)N3CCN(Cc4nnc(C)o4)CC3)n[nH]2)cc1 1084321625 SOEDAAAJBNVJHW-UHFFFAOYSA-N 499.557 1.165 30 10 JDEE CC(C)(C)OC(=O)N1CCN(CCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1149176295 HRYVFCNPHAOPAA-QGZVFWFLSA-N 451.568 1.901 30 10 JDEE C#CCN1CCN(C(=O)Cn2cnc3c(cnn3-c3cccc(Br)c3)c2=O)CC1 1166595619 XEPQGRQKQPYTFR-UHFFFAOYSA-N 455.316 1.122 30 10 JDEE C=CCC1(O)CCN(C(=O)COc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1178198729 RKRIUUVWKHAACT-UHFFFAOYSA-N 455.533 1.934 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1286388040 KZHYBZSGRVUXKB-NRFANRHFSA-N 480.594 1.846 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1OC 1286408261 BAPKFTMTVMQUSL-NQIIRXRSSA-N 487.582 1.160 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(CS(C)(=O)=O)cc1 1286419082 MQXNOKNVLDORRP-UHFFFAOYSA-N 476.562 1.981 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCOC1 1286465734 RKJKJSQOISGVCL-MBSDFSHPSA-N 463.579 1.630 30 10 JDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](OCCOC)C1 1286536443 PITPXYPQQXULRV-CHWSQXEVSA-N 452.375 1.039 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)N(C)C)CC1 1286545994 DXMZMLUFUHCUDM-HQRMLTQVSA-N 482.651 1.564 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286547095 MWXCNKDHAXCOPZ-MJGOQNOKSA-N 482.651 1.648 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1286673062 TYAQSPZIEVXDCO-MOPGFXCFSA-N 482.651 1.518 30 10 JDEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1286694623 VSESZUFJCQZSNP-UHFFFAOYSA-N 483.529 1.327 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1286792933 MFRCLWCIOYHEST-SFHVURJKSA-N 471.558 1.942 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286793140 SYDKVZOIGVPPBA-PXAQALGRSA-N 473.578 1.210 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)Cc2cccc(F)c2)C1 1286810193 OIOGBMZVXVTHHV-QUCCMNQESA-N 491.589 1.460 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCNC(=O)C1 1286823786 RDAPNIPDYOFMOZ-UHFFFAOYSA-N 461.588 1.692 30 10 JDEE COc1cc(OC)cc(N2CC[C@@H](CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)c1 1295018937 BGQZRRNNMLZOBK-KRWDZBQOSA-N 458.540 1.496 30 10 JDEE COc1cc2c(cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1)O[C@@H](C)C2 1299962702 FMMSLBWLEGQAAN-RXSFTSLZSA-N 478.550 1.711 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1300497757 DANNTXNWCCAQCB-MJGOQNOKSA-N 475.590 1.940 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1300499106 PIRLSGYYUOUPHY-MJGOQNOKSA-N 480.587 1.069 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1300505202 YWSMBUKOSOASJH-SFHVURJKSA-N 492.623 1.369 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2c(s1)C[C@H](C)CC2 1300631840 WXWDFWJTQXULEU-NVXWUHKLSA-N 478.644 1.700 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2CCS(=O)(=O)CC2)CC1 1300683057 VZDRWEVMONXLMG-UHFFFAOYSA-N 484.626 1.727 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C(C)C)CC2)CC1 1300711854 JATSAPWIXJHAEA-MRXNPFEDSA-N 450.609 1.290 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccncc2)CC1 1300716155 JSGOCXGSVBPHML-DEOSSOPVSA-N 452.559 1.534 30 10 JDEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C(=O)NC)C1 1300975108 RBQMIJHBPSSFBD-INIZCTEOSA-N 467.368 1.590 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1301189498 XKSRVEGZYOEPGO-MRXNPFEDSA-N 459.638 1.445 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1301491498 ROGGXIJZXSJOCT-SIKLNZKXSA-N 463.590 1.895 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2cnccn2)CC1 1301492541 JQBXEENTACPVAD-UHFFFAOYSA-N 464.530 1.381 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1301506058 GFHSXDIINNAQQA-UHFFFAOYSA-N 474.631 1.730 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(Cn2cc(C)cn2)CC1 1301520104 BZMFPXMGIYNAAR-FPOVZHCZSA-N 457.579 1.726 30 10 JDEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1306823991 FZCDTIOAFAEFRR-OAHLLOKOSA-N 450.923 1.910 30 10 JDEE CS(=O)(=O)CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1COCCO1)C1CC1 1316346174 BEGBRWXHQOEMIR-IBGZPJMESA-N 461.544 1.158 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)COCc1ccccc1 1358891012 YJYVAIIOCDBBSA-DYXWJJEUSA-N 475.615 1.922 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1358955794 UCHARKPVGNIDNH-GOSISDBHSA-N 451.593 1.204 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CCN1CCOC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1358960175 YSZMXOSMPNTCMX-HXUWFJFHSA-N 457.600 1.683 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(C[S@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1358960976 PKOPQQNFXZLTIC-CGKQSPDFSA-N 486.623 1.232 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1358973905 JYLHXSQFWPDAET-LNVKXUELSA-N 460.494 1.562 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C)n(C)c2=O)CC1 1359031706 MSZAFUWZGXWUFE-UHFFFAOYSA-N 480.594 1.159 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2([S@](C)=O)CCC2)CC1 1359041602 BYAQYYZZXUYFGQ-ZWVRTZEQSA-N 491.658 1.586 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCC(=O)NC2CCCCC2)CC1 1359043732 GGRKTRKUCGEJHP-UHFFFAOYSA-N 464.574 1.540 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H](F)COC)CC1 1359044144 WVRNLZZOCGYMJJ-KRWDZBQOSA-N 481.532 1.142 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cc2)CC1 1359049413 OPCMQTAVWZMVSN-MRXNPFEDSA-N 466.608 1.720 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1359051399 VLKPSWABONYHLX-WIYYLYMNSA-N 489.667 1.872 30 10 JDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359056832 MFPFPJHGCBQFON-FQEVSTJZSA-N 484.630 1.160 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNS(C)(=O)=O 1359065822 DRMLYQUZADLPIM-HXUWFJFHSA-N 465.601 1.280 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1359215693 HLSCWEVQEFWXRS-IBGZPJMESA-N 486.602 1.170 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@]2(CCC(=O)N2)C1)C(C)C 1359265733 KYSXMZXAZLWAOE-IECBHUPTSA-N 455.607 1.787 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2c(F)cccc2F)C1 1359321650 JTIPLJBTAKQCSP-JXFKEZNVSA-N 497.568 1.913 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C(C)C)C1 1359329020 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1507578817 BVMQYBHJHWLLAV-AWEZNQCLSA-N 469.409 1.930 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1507624962 FORYRPPKIKYZJQ-OAHLLOKOSA-N 495.403 1.189 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507631091 BFSOPNNQPDNEGJ-FPOVZHCZSA-N 457.600 1.935 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccsc2)N(C)C)CC1 1507719786 AWPMTZZSUONMDT-FUHWJXTLSA-N 465.649 1.008 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507798336 HDONROJDDCCJQM-PZJWPPBQSA-N 481.601 1.803 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507806306 HBCQHZIDRGXHDW-SYAJIYQZSA-N 463.579 1.325 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1508136775 HIQVZEICACICKJ-UHFFFAOYSA-N 466.567 1.903 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1508416121 DOEMUILSCMYSOE-HZPDHXFCSA-N 469.571 1.755 30 10 JDEE C[C@@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1510103830 BDCZTEYLELXWHZ-GHTZIAJQSA-N 472.615 1.798 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1539231969 ZSJBRUXDUHUVKU-GOSISDBHSA-N 484.582 1.583 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nccn1C(F)F 1539245441 HFLKWRWOBHLDRV-UHFFFAOYSA-N 473.509 1.908 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C(F)(F)C12CCC2 1539326077 RIJFNOLGEWPBPY-IAGOWNOFSA-N 467.542 1.509 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1539415540 FOWGVXMLBWFOOR-MOPGFXCFSA-N 454.579 1.759 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2CC2(O)CCOCC2)n1 1539423783 GEARTVGQZVSRRM-FQEVSTJZSA-N 458.563 1.544 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCS(=O)(=O)CC)CC1 1539446102 QLBLACZMSARQAG-UHFFFAOYSA-N 454.556 1.790 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccccc2CN2CC[C@@H](O)C2)CC1 1539466724 DXXOHOWYUJEHHD-HSZRJFAPSA-N 464.614 1.982 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1539484697 ZQGDIVOZUFTHOU-LNVKXUELSA-N 493.593 1.423 30 10 JDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1539823601 FXPXZWFEGOWCSC-KKUMJFAQSA-N 450.931 1.287 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N(C)CCN1CCOCC1 1540867164 MVHXIZWEPMMWCR-UHFFFAOYSA-N 463.380 1.778 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)c2ccccn2)C1 1540893004 VFNARFHSJUYJFY-MOPGFXCFSA-N 490.630 1.765 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1540897126 BHLDGBCLVAISKO-MRXNPFEDSA-N 462.576 1.778 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1540905396 VZFZTXCPDMHLQK-UHFFFAOYSA-N 465.539 1.400 30 10 JDEE Cc1nccn1CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1542979818 HLXGMBKLPMWTHC-UHFFFAOYSA-N 465.537 1.959 30 10 JDEE C#CCN(C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1CCS(=O)(=O)C1 1564669660 VZOFBRWSABONRH-JKSUJKDBSA-N 454.346 1.386 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@](C)(CO)c2ccc(Br)cc2)cc1 1570772481 OHHBARYQEYZHNX-LJQANCHMSA-N 451.342 1.998 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1587766535 WOMZDAJLGCKAFR-NFBKMPQASA-N 491.589 1.652 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1588034342 DLKOWGFJHLSFKV-CYBMUJFWSA-N 496.416 1.871 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588069672 SHDCCKAYOYFFRY-ZCNNSNEGSA-N 460.604 1.582 30 10 JDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cnnn1C 1588245509 GYBYTCCYTWTBGG-UHFFFAOYSA-N 457.586 1.283 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)C(F)(F)F)CC1 1588891580 RDVGFCLNNXFELQ-ZDUSSCGKSA-N 478.541 1.443 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1589529073 KNVJPIVPIYQCBB-LXZJYRNTSA-N 481.619 1.240 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1594013808 LBIUFCCOYFLOGX-WBVHZDCISA-N 464.567 1.528 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](OC)C1 1595537216 NVBZMYSMBPYMMK-QGZVFWFLSA-N 465.558 1.982 30 10 JDEE COCCNC(=O)CNC1=CC(=O)[C@]2(Oc3c(Cl)c(OC)cc(OC)c3C2=O)[C@H](C)C1 1615243896 SCMVCFCUIFWUFM-WSVYEEACSA-N 452.891 1.516 30 10 JDEE CCN(CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N)C(=O)OC(C)(C)C 1615627803 AFPVFTOJOJSIPT-GJZGRUSLSA-N 457.601 1.741 30 10 JDEE COC(=O)[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1c1ccc(O)cc1 1627692975 AWCKFBNFRKHWOO-PNHOKKKMSA-N 457.508 1.346 30 10 JDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 1632877139 OKGCKPNYPOORCT-MRXNPFEDSA-N 450.001 1.744 30 10 JDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2c(F)cc(Br)cc2F)CC1 1654308523 JWSGAGZSWPOTOZ-UHFFFAOYSA-N 450.305 1.173 30 10 JDEE CCN(C1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1)S(C)(=O)=O 1667184103 HSCVOZUTRWIPBU-UHFFFAOYSA-N 450.380 1.755 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1689893118 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1690132839 YGTBMOGSHFHRQV-UHFFFAOYSA-N 457.600 1.746 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1690170798 QOLHTOJPWCAXHO-HDICACEKSA-N 454.556 1.408 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC1 1690206650 WNGRSCTZENVQIM-WIYYLYMNSA-N 450.609 1.089 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1690238638 LWJUVNFDZCFRKQ-BDPHEOEISA-N 453.609 1.731 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690250170 DFYSHMWPMIRGTO-ZVDOUQERSA-N 477.635 1.639 30 10 JDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc3nncn3n2)CC1 1690419501 UODOOSKCRRGWIV-UHFFFAOYSA-N 452.567 1.783 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1690724914 YXLSTENIXDRIPC-MSOLQXFVSA-N 450.565 1.222 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1690725541 UASSYTYDKGSKRB-UHFFFAOYSA-N 459.616 1.969 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1690733377 CFPXDIPCECKDIX-QGZVFWFLSA-N 485.680 1.535 30 10 JDEE Cc1cccc(C(=O)NCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1693162672 BSQWIHFOELCKTB-MGPUTAFESA-N 463.539 1.069 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CC2)N(C)C)CC1 1696592540 BRDLNLABQGBIKR-OAQYLSRUSA-N 450.591 1.367 30 10 JDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1696628346 BJHPKABVNUCLKU-WMZOPIPTSA-N 463.585 1.265 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(F)cc1)N(C)C 1705495438 PXABTSJFLULWKJ-DBVUQKKJSA-N 478.594 1.511 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1705524608 PQCRXZVIKLMQJI-ICSRJNTNSA-N 460.604 1.157 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(CC(F)(F)F)CC1 1705534386 HCHKOSWDMKKOGZ-INIZCTEOSA-N 478.541 1.099 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@]1(O)CCS(=O)(=O)C1 1705576089 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C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705890638 AFLDDKIQVKXONE-SJORKVTESA-N 489.577 1.539 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1705904093 FOTVBMLKKMJHIM-HKUYNNGSSA-N 459.572 1.833 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2OCC)C1 1705926036 XMEWLLYNGVMETA-FPOVZHCZSA-N 491.614 1.839 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(CCc2cccs2)CC1 1705932491 VCEGQHIZKAGKKA-UHFFFAOYSA-N 475.644 1.706 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CN(C)C)c1 1706074951 HESZQCCIRMOYTF-XLIONFOSSA-N 475.619 1.317 30 10 JDEE C[C@H]1CCCCN1C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1708054138 FRRONONRPGWWHF-IBGZPJMESA-N 499.641 1.384 30 10 JDEE CC[C@H](c1ccccc1)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCNS(C)(=O)=O 1708661104 GVCRTJAFXKUGBN-OAQYLSRUSA-N 494.625 1.962 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1722277347 IITJYVJREKJZPC-MGPUTAFESA-N 467.617 1.737 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1722332265 HIHRBJLMJDILAL-RTBURBONSA-N 480.635 1.157 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1722360815 WEYFRSCZXUNEDZ-IAGOWNOFSA-N 481.481 1.904 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1722429164 HVUBPPUVRWTKFL-UHFFFAOYSA-N 474.512 1.928 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)CC1 1722450329 DMVLAZZJMAAJOA-UHFFFAOYSA-N 491.596 1.857 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCCN2CCCC2)CC1 1722523147 CRTBYPVUPZWFPJ-FQEVSTJZSA-N 482.651 1.268 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1722685716 KRMUIAWWRHQSBZ-QZTJIDSGSA-N 451.524 1.514 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2CCCCCC2)CC1 1722690059 DSPXGOFRMIDPAC-GOSISDBHSA-N 481.667 1.283 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1722727652 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Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)Nc2ccc3c(c2)OCCO3)n[nH]1 1084247875 KCLCWMYSLHNPOT-UHFFFAOYSA-N 472.531 1.558 30 10 JDEE Cc1nnc(CSc2nnc(NC(=O)CSc3n[nH]c(NN=Cc4cnn(C)c4)n3)s2)o1 1084408092 PQQNNXLTKHMKEW-UHFFFAOYSA-N 492.576 1.550 30 10 JDEE C=CCn1c(O)nnc1SCC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1188970263 ICSVZOMOXDWNEI-UHFFFAOYSA-N 459.500 1.073 30 10 JDEE C=C[C@@H](C)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(CC)CC1 1196555386 GBNXBCUECSUPQU-QGZVFWFLSA-N 451.593 1.545 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c1 1266525152 ICBARVOJZCGHIY-RDJZCZTQSA-N 458.602 1.883 30 10 JDEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(C(N)=O)C1)c1ccccc1 1286617054 HNGVOMRUJOEXSD-GCJKJVERSA-N 474.587 1.026 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC(C(N)=O)CC1 1286784062 VOYJTCJEAJALSQ-UHFFFAOYSA-N 465.327 1.851 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286786454 SJVPQQYOXIWZPZ-UHFFFAOYSA-N 457.535 1.003 30 10 JDEE Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)c(=O)n1C 1289664824 AJCCCWSECHMGTB-UHFFFAOYSA-N 461.526 1.167 30 10 JDEE C[C@@H](CC(=O)Nc1ccc(F)cc1NS(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 1295600731 GGLSXOUDHWEFPD-NSHDSACASA-N 454.505 1.653 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccc(F)cc1 1300310775 ZOWYYIKKVVGOGS-RRMPHLOHSA-N 465.551 1.116 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(CCOCC)CCC1)[C@H]1CCS(=O)(=O)C1 1300480192 ZFBNHMUJZOOIDD-IBGZPJMESA-N 477.631 1.738 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1300483338 KSLALAHJEIZPCV-GBXCKJPGSA-N 488.610 1.808 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CC1(S(C)(=O)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1300502005 OZFISYIGFQSHJS-HXUWFJFHSA-N 490.651 1.657 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(C)OCCc2sccc21 1300654056 RUZPGOXULLLSAU-QRWLVFNGSA-N 467.617 1.524 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2cccc(F)c2)CC1 1300699927 JSBYNWWJUMZUNT-ZWKOTPCHSA-N 461.563 1.542 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@](C)(O)c2cccs2)CC1 1300719687 LUNASPWQZUUQDJ-JOCHJYFZSA-N 453.572 1.614 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC[C@@H](C(F)F)N1CCOCC1 1300813103 AGYGUBUNDKVPSH-HTAPYJJXSA-N 450.534 1.749 30 10 JDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1300881795 BPALKTOCNAXVTA-QFIPXVFZSA-N 481.601 1.469 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1300882852 YMOPMMCTIZAQTG-NSHGMRRFSA-N 477.635 1.768 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1300885307 OOECBYXEGJCIRV-NSHGMRRFSA-N 459.595 1.794 30 10 JDEE C=CCn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301474305 YRMBVAXFVOPDEB-GASCZTMLSA-N 459.551 1.755 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](COC)C1 1301497135 PHYQEDXHOSWILD-INIZCTEOSA-N 451.531 1.357 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](C)C1 1301499158 YVILHNUBZHAHMA-INIZCTEOSA-N 466.546 1.053 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1301501979 ASKXARPGLCEPRS-QHCPKHFHSA-N 487.511 1.264 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1301514217 GSMYTBVWTZZHKL-HOOSLVGPSA-N 466.542 1.804 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)c3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301518137 GMNRUZBJGQRYBC-VWLOTQADSA-N 482.585 1.583 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1301568684 ITJFJKOHINVLLD-LAUBAEHRSA-N 497.643 1.241 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1301585768 NYWULUGVSMMTMU-INIZCTEOSA-N 455.581 1.486 30 10 JDEE C[C@@H](CN1CCOCC1)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)CC#N 1303754523 IBTWVJLYPFAUTE-OALUTQOASA-N 489.646 1.902 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[C@@H](O)C2)c1 1358902027 CPOMJSGQMXLAKP-SXLOBPIMSA-N 450.543 1.837 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1358930573 XXNDKLZOKHDEPJ-KRWDZBQOSA-N 482.607 1.082 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1358956025 YQZUEYAYNAYMGW-DOTOQJQBSA-N 453.634 1.576 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1358966104 HYHSHMPZILSOMU-GOSISDBHSA-N 459.572 1.237 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1359036298 SNAPXWMJWCNVDA-UTKZUKDTSA-N 497.543 1.386 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@H](F)COC)CC1 1359045317 CKTGSFWYMXCNPR-YLJYHZDGSA-N 457.506 1.741 30 10 JDEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359128906 JNVKEXRXBARFDA-INIZCTEOSA-N 474.949 1.347 30 10 JDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1359132269 RUPPVUDIRHMCPW-UHFFFAOYSA-N 467.530 1.482 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNS(=O)(=O)c2ccccc2)CC1 1359178737 AJKGVWHXEHWJCO-GOSISDBHSA-N 479.628 1.561 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1359227763 LCIVSTPHOZAYDA-OAQYLSRUSA-N 494.706 1.768 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1359287440 DEVNHKUYUVYRTG-MOPGFXCFSA-N 469.608 1.352 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCCC(C)(C)C2)C1 1359313052 GAOIBKMGBJSWKH-ROUUACIJSA-N 454.641 1.792 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1359329370 HECXPDZEXVULKK-UHFFFAOYSA-N 477.612 1.821 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1359330620 XOEDKVUUCMGTQJ-UHFFFAOYSA-N 474.631 1.501 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccn1 1360475457 AWYPJJBIPXREFV-IRXDYDNUSA-N 461.592 1.722 30 10 JDEE C=C[C@@H]1OCCC[C@H]1NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1436325927 SSKHDZGUDPTLBI-UXHICEINSA-N 463.600 1.766 30 10 JDEE COc1ccccc1[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1nccn1C 1440870027 AVBKQXJPGJYVMH-YWZLYKJASA-N 453.524 1.873 30 10 JDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 1449335389 JYYTUMLUITUYFC-MNOVXSKESA-N 451.895 1.961 30 10 JDEE CCN(CCC#N)S(=O)(=O)N(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 1464396760 HKAOWVGQCQXVML-UHFFFAOYSA-N 452.577 1.951 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507514319 QIFJEZGNLLYADS-ZWKOTPCHSA-N 458.588 1.887 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCOc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1507625817 LGFVLDDRSNMPFE-AUSIDOKSSA-N 492.573 1.775 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(CS(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1507629477 MUCCRQVEZGLCHF-KRWDZBQOSA-N 492.623 1.405 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCCC1 1507711318 UBYBVNYZDCDEJQ-GOSISDBHSA-N 463.579 1.978 30 10 JDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(=O)COC)CC1 1507791579 NGXSDENMWLZOFV-YOEHRIQHSA-N 472.384 1.642 30 10 JDEE C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)NCCOC)CC1 1507832942 ZIOMOODKUXPDKO-UHFFFAOYSA-N 451.575 1.811 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1507835615 HPVQYDOQHFXGTR-KRWDZBQOSA-N 454.535 1.558 30 10 JDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1508079607 AIRVPTMQHAGWCF-INIZCTEOSA-N 471.587 1.494 30 10 JDEE CC(C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1508735697 FHAJXZINFKFYCV-UHFFFAOYSA-N 451.575 1.722 30 10 JDEE CC(C)N1CCC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 1509547010 DEBGFAKWBVMHGO-FQEVSTJZSA-N 451.575 1.754 30 10 JDEE CCO[C@@]1(c2nnc(N3CCN(Cc4ccc(C#N)cc4)CC3)n2CCC(=O)N(C)C)CCOC1 1516217226 GDALYUBAUCZGEA-VWLOTQADSA-N 481.601 1.602 30 10 JDEE C=CCN(C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@@H](Cc1ccccc1)C(=O)OCC 1529014670 MITWFJMYCSIOBW-IBGZPJMESA-N 450.495 1.435 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCOCC2)c1 1539016136 SZZCMXFZLQUMIE-AEFFLSMTSA-N 459.572 1.639 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1539202904 MCKLGCWDLDYZQL-SFHVURJKSA-N 489.598 1.303 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1539205063 FWGXZOFECKXIIP-CYBMUJFWSA-N 492.346 1.944 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1539210522 FCLPZPIBORJZOV-FGZHOGPDSA-N 471.627 1.929 30 10 JDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC1(OCCOC)CCOCC1 1539260927 WOYXADMFJWOXTO-UHFFFAOYSA-N 455.515 1.291 30 10 JDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC[C@H](N1CCOCC1)C(F)(F)F 1539408924 IEPMNVMYOKISEG-SFHVURJKSA-N 498.506 1.745 30 10 JDEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539820579 HIXOXSUJXMYRRZ-UHFFFAOYSA-N 488.976 1.889 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1540861688 BXJDIMRPSTXERJ-KRWDZBQOSA-N 478.500 1.898 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cnc3c(Cl)cnn3c2)C1 1540884888 XDNSNGGOALFZON-HOCLYGCPSA-N 495.009 1.608 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@H](COc2ccccc2)C1 1540901910 UKQKFUPOWURPLB-IBGZPJMESA-N 470.555 1.620 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1540907301 ROPADMVQPLSQBU-GOSISDBHSA-N 482.628 1.698 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1=O 1555596819 ATMPAARIWXCWDT-FPOVZHCZSA-N 484.557 1.075 30 10 JDEE C#CCNS(=O)(=O)N1CCN(CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC1 1559717212 HQEWLLFVMWCWNP-UHFFFAOYSA-N 458.506 1.282 30 10 JDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)[C@@H]1CCS(=O)(=O)C1 1562086555 VERVUIORWQMBTA-FUHWJXTLSA-N 453.586 1.761 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)n1 1586565286 OEFWGOKZGVLZNL-UHFFFAOYSA-N 454.346 1.971 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1587822736 BXSIKGINLHIHSN-UHFFFAOYSA-N 499.641 1.947 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CN(C)C(C)C)CC1 1587860982 DQJBWXSWDIRHJL-FQEVSTJZSA-N 466.652 1.581 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1588054816 PTBGYLJXHMCQOW-NVXWUHKLSA-N 452.968 1.349 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cnn(-c2ccccc2)c1 1588647068 RANUAWAJCQJIDO-FQEVSTJZSA-N 468.583 1.695 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](C)SC)CC1 1588908033 KBXIFQMLYVNLDS-INIZCTEOSA-N 465.587 1.638 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCS(C)(=O)=O 1589608339 GBDYLIUZLGONIZ-UHFFFAOYSA-N 455.606 1.642 30 10 JDEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1593924013 VKTLFFVXLZFSQJ-AWEZNQCLSA-N 451.314 1.410 30 10 JDEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1594644961 ICFJRIAPRUSIEY-UHFFFAOYSA-N 470.603 1.753 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCS(=O)CC1 1595577452 SMDWFQLZOYWLEN-UHFFFAOYSA-N 468.377 1.491 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1595785328 XCKQJQLBYOGZGV-OAHLLOKOSA-N 454.574 1.178 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1595789514 VFRVUCZKSMHCIL-GOSISDBHSA-N 474.509 1.866 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCCCC2)CC1 1595883900 CXOWZEUMJJDHSQ-HXUWFJFHSA-N 498.719 1.985 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCCS1(=O)=O 1613557290 GVGVTXITGVPNIR-UHFFFAOYSA-N 451.597 1.362 30 10 JDEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)CC1 1615888570 DZULVCBMVRYVEY-JOCHJYFZSA-N 485.658 1.858 30 10 JDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(CNC(=O)c2ccccn2)CC1 1623376716 BTNLAHGBKWYORP-MRXNPFEDSA-N 455.540 1.289 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)CC1 1643372197 AKFQTEOOIKJFLT-UHFFFAOYSA-N 457.478 1.861 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(C)C)cs1 1689852510 GHYWLWDVAXORCX-ZBFHGGJFSA-N 452.606 1.697 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1689873864 ZUGVCSIOEMOMBY-QHCPKHFHSA-N 499.618 1.536 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1689986123 JBSJAZFKBJLJKS-OAQYLSRUSA-N 478.578 1.717 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689988457 PMKPIQVLZLVHIS-DENIHFKCSA-N 481.626 1.826 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1690141925 FTBMXJQLTHLNEI-DEOSSOPVSA-N 463.542 1.818 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCN2CC)CC1 1690152208 CAAFLADVPCMROI-LJQANCHMSA-N 483.642 1.720 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN(C(C)C)C1 1690206550 USAMVAIZXPUPJU-ZRCGQRJVSA-N 478.663 1.724 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1690236266 KNVCYWJQAVAZLD-ZRNYENFQSA-N 482.651 1.171 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2nsnc2c1 1690597188 MAQRKVANCFQZAM-GOSISDBHSA-N 475.600 1.842 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1690674228 TVCPCLFIMKHHQD-UHFFFAOYSA-N 481.582 1.604 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1690733376 CFPXDIPCECKDIX-KRWDZBQOSA-N 485.680 1.535 30 10 JDEE CC(=O)N1CCN(CCn2c(N3CCC(C)(C#N)CC3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1690870645 WDLXDYYDLBQILP-XMMPIXPASA-N 473.622 1.613 30 10 JDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCn2cc(Br)cn2)C1 1692851245 CYPNEYZVJHVFJN-KSSFIOAISA-N 482.408 1.969 30 10 JDEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)cn1 1693102366 HWRBAVYCOWRCOH-UHFFFAOYSA-N 481.582 1.952 30 10 JDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCO1 1693830118 CUWIIZIVKXAMHC-UGKGYDQZSA-N 481.601 1.897 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOC1CCCCCC1 1705494922 IEXDKJKUZKKPLI-MJGOQNOKSA-N 453.609 1.808 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc(C)c(C)s1 1705495044 KAJWULXRKZHUPM-BBRMVZONSA-N 452.606 1.385 30 10 JDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1705534183 BGOJCVNZYNTZAM-DLBZAZTESA-N 469.608 1.869 30 10 JDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCCN1CCC[C@@H]1CO 1705549678 DUEBRXCHIUHIJQ-LJQANCHMSA-N 463.586 1.981 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1705563410 WWCARLVTKSYJFM-SFTDATJTSA-N 458.584 1.940 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1705564674 CEJIOVMCQIMYOD-NPPFBWRTSA-N 492.001 1.417 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1705634989 OEAWZAOLEIXKGJ-HSZRJFAPSA-N 473.599 1.137 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nc(C)cs2)CC1 1705644026 FRLNMFYBSSEQIH-UHFFFAOYSA-N 464.555 1.704 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1705907010 XLKWOHJOHCYHFV-MRXNPFEDSA-N 491.474 1.536 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2COCCO2)C1 1705924139 BHXVUVZVUFMFPT-IPMKNSEASA-N 479.578 1.783 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](C(=O)NC)C1 1705933103 UOENRWZIZKHFAW-QGZVFWFLSA-N 475.571 1.280 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCCCC2=O)CC1 1705937682 BCPJSRRGZBFOKP-UHFFFAOYSA-N 489.646 1.722 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1705938155 OSVLLZYGLXPAMG-VGOFRKELSA-N 480.562 1.981 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705939011 POMKRUDMHRDHDE-CTNGQTDRSA-N 489.690 1.812 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1705939406 WWRLELVFSKJNGU-ZJOUEHCJSA-N 497.662 1.292 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1722296717 UJYXZZAKSPSQOX-TYPHKJRUSA-N 457.600 1.539 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1722362011 LRXQKSQRBNAZFJ-LJQANCHMSA-N 468.583 1.979 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1722363226 DSUOWWAHUGIZSB-ZBFHGGJFSA-N 499.515 1.565 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722363644 GWLVZGPFZVANCL-AQNXPRMDSA-N 451.637 1.775 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(C(C)(C)O)c1)[C@@H]1CCS(=O)(=O)C1 1722366919 KVNYYBLJJHPTNM-AZUAARDMSA-N 458.584 1.684 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(F)c1)N(C)C 1722429114 NTVYDXBKMVOMFA-ICSRJNTNSA-N 463.579 1.708 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC(=O)NCC=C)CC1 1722433405 UOZTVOBXCQCITA-UHFFFAOYSA-N 461.339 1.904 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCOCCS(C)(=O)=O)CC1 1722433779 GGKBIFYMOSCBFS-GOSISDBHSA-N 491.683 1.948 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)C(=O)NC)CC1 1722450131 YIEYOVGBROYHDV-UHFFFAOYSA-N 450.587 1.801 30 10 JDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722625343 RGWKKLWRFIROKE-WIYYLYMNSA-N 454.579 1.317 30 10 JDEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1722628113 WNBMPKMPMHVNLR-ZWKOTPCHSA-N 478.594 1.894 30 10 JDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N1CCOCC1 1722631152 FFEILGQUBUNWJF-CVEARBPZSA-N 454.622 1.646 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCCC1=O 1722640028 HWEMUAFTLNCJJY-KRWDZBQOSA-N 454.597 1.026 30 10 JDEE COCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CCOCC1 1730510572 ANHNAKVROSVRQJ-IBGZPJMESA-N 459.572 1.883 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1740620015 BLFSSWLFJJPDJF-NRFANRHFSA-N 478.578 1.569 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1740661525 DMXJJLKDEYWYLX-INIZCTEOSA-N 466.608 1.915 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)N(C)C)cc1 1740686102 OKKYVYNNGWZRTC-GOSISDBHSA-N 474.587 1.408 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1740707431 BPUOEHCOLVCHJN-FQEVSTJZSA-N 493.568 1.120 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1740717306 OQJBEPGHIILNBG-HNNXBMFYSA-N 493.577 1.442 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1740793990 XNMPEEKPJBNQPO-XMSQKQJNSA-N 485.651 1.845 30 10 JDEE C=CCN(CC=C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1740926297 URSXTVXANZJICG-OAQYLSRUSA-N 479.990 1.590 30 10 JDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1740942738 DIZDCXISIIGNNE-HNNXBMFYSA-N 453.613 1.675 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nc2ccccc2s1 1740951870 PFZBIFHEISTVJV-ZDUSSCGKSA-N 463.589 1.437 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1740953737 PNSOJKXIBGBOGY-IBGZPJMESA-N 467.574 1.838 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCN(C(C)C)CC1 1740959351 SKWWWVPCHFNNTG-UHFFFAOYSA-N 450.547 1.817 30 10 JDEE CC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1741051984 ATRPYTYPJOVELC-DQRAZIAOSA-N 483.960 1.717 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1CCN1CCCS1(=O)=O 1743232394 DTBRNBKDLJYBNE-QGZVFWFLSA-N 487.634 1.279 30 10 JDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccccc1S(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748806064 ZCAJDMZJQQISCF-PKOBYXMFSA-N 493.655 1.717 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1748819037 IWFCNJKCKBGIIO-NZQKXSOJSA-N 458.584 1.610 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1748820538 DIFJCRGGTQZDOC-FQEVSTJZSA-N 459.620 1.252 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1748824732 SFMIDDMLNOICSZ-XMSQKQJNSA-N 478.546 1.428 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCO[C@@H]2CCOC2)CC1 1749016318 ADXNJMLGMGGSCB-OAQYLSRUSA-N 452.559 1.425 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCN(C)C2=O)CC1 1749229597 MDFOYRSVAUGXGR-QGZVFWFLSA-N 451.593 1.222 30 10 JDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1749235949 XKYBJWBKHMYEJK-QGZVFWFLSA-N 458.567 1.568 30 10 JDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1749456754 LYDNGYYTELZFKP-VQTJNVASSA-N 483.635 1.743 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(C)c2ccccc2)CC1 1749629759 CBFQUNFIGIKIPQ-FQEVSTJZSA-N 460.604 1.902 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1749658050 KTNSCOAJERDIIR-FUHWJXTLSA-N 459.982 1.843 30 10 JDEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1760157740 AGHDYJWFUGXXBD-UHFFFAOYSA-N 480.569 1.086 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1760181480 VYQOJPUAYFSWGN-APWZRJJASA-N 494.536 1.872 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1760185752 CMGBCPLOTXEOIW-IBGZPJMESA-N 463.991 1.675 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1760187245 UKEFPNMXFBKGHR-MSOLQXFVSA-N 472.633 1.012 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(=O)Nc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1760192744 XTZUWKTZOQBOEM-FQEVSTJZSA-N 499.572 1.544 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C)c1 1760279910 BICUHMXRXLTBML-IBGZPJMESA-N 463.629 1.922 30 10 JDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1760280952 JWZBSDOXFNCEPL-RTWAWAEBSA-N 468.627 1.887 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@@H](C)C1 1760337822 WMABCFGIZLAJCH-MOPGFXCFSA-N 454.641 1.745 30 10 JDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1760346415 XYJBDDPOKKYUDY-SFHVURJKSA-N 461.563 1.787 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1760517688 VKTCVMDDIMMQBJ-INIZCTEOSA-N 453.503 1.651 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCCN(C(=O)C2CC2)CC1 1760525110 ULLOMIIBHBHTNH-UHFFFAOYSA-N 452.559 1.628 30 10 JDEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)NC)CC1 1760558351 MSPMWAPEYBRTAK-UHFFFAOYSA-N 478.644 1.941 30 10 JDEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1760562661 RIOOWFSNOAYTCG-IBGZPJMESA-N 478.644 1.890 30 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1.357 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1301497858 GAYAZVHTPZAILR-SJORKVTESA-N 454.531 1.890 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1301505989 DQWBBPFDBKNUJV-LJQANCHMSA-N 474.631 1.587 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1301507333 ZMSKSCQVEUZZLK-UHFFFAOYSA-N 474.569 1.327 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1301544671 ZOOJKUPGCOQJLR-UTKZUKDTSA-N 484.525 1.877 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1301557220 NPCOVUVCIRBTMG-PWRODBHTSA-N 460.623 1.896 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC1 1301589678 WDVHSPPDYKGTDS-MRXNPFEDSA-N 455.581 1.788 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCCOC1 1305785074 GWANTYKAAGKPJJ-ZWKOTPCHSA-N 481.605 2.000 30 10 JDEE CS(=O)(=O)Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)cc1 1316340931 ANGPHDDCFFFUBS-HXUWFJFHSA-N 491.639 1.903 30 10 JDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCC(O)CC1 1358949281 XSYNEOGRKFFKDI-FQEVSTJZSA-N 457.600 1.255 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1358960348 CKNWNQFCXWYJEE-KRWDZBQOSA-N 455.540 1.965 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1358963724 MXHIOOLSZCGJAY-IRXDYDNUSA-N 454.618 1.387 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358966651 SZRXRRROOPICFF-SJORKVTESA-N 477.612 1.321 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCOCC1 1359016790 LZGSSXHLEKWONF-TZIWHRDSSA-N 489.617 1.927 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1359040163 KGDYEQKWOAWKER-HXUWFJFHSA-N 471.650 1.484 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1359051043 KHPSNFVQTNJNIE-IBGZPJMESA-N 470.624 1.892 30 10 JDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1359226194 YWUIGSIGAGVPQJ-GOSISDBHSA-N 453.551 1.669 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)c1ccccc1F)C1CC1 1359251147 DHIVJOUHXCTDFU-LJQANCHMSA-N 492.577 1.335 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1359284226 AGPOXPFQEHSEOU-OAQYLSRUSA-N 458.544 1.349 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1N1CCOCC1 1359287568 LJDFHCUUIPIQGZ-FQEVSTJZSA-N 476.603 1.270 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1359302561 LLWMRXPVUIUGMF-FQEVSTJZSA-N 487.630 1.397 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1359331207 QWJUTSLGDJNLCD-HNNXBMFYSA-N 486.520 1.754 30 10 JDEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1470238190 HJYBGLZEFLWVEG-UXHICEINSA-N 452.577 1.180 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)ccc1F 1470676590 HDFLIOHNSOYHNX-IAGOWNOFSA-N 459.565 1.413 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)NC(C)C)c1 1507549892 AZGZNEUYNAJUPJ-IBGZPJMESA-N 488.614 1.556 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCn2cc(C)cn2)c1 1507551903 ISPFEQFGORVFJS-UHFFFAOYSA-N 460.542 1.662 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCNC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1507631718 SFXQNQQEOGMLKI-KRWDZBQOSA-N 468.539 1.298 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCNS(=O)(=O)CC)CC1 1507720324 UDOSBCACGFJTEU-KRWDZBQOSA-N 464.567 1.252 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(=O)N(C)C)CC1 1507735177 NAWUCOBOCWVLRX-UHFFFAOYSA-N 458.950 1.661 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1507771451 ADVGLJZHORNPGG-SQGPQFPESA-N 489.564 1.826 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1508000949 GTRIOMBEKXZCNV-IBGZPJMESA-N 460.604 1.890 30 10 JDEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1508061790 XJEUJJZKVURFSG-UHFFFAOYSA-N 487.605 1.506 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1508078071 STADKVZFIFALHK-UHFFFAOYSA-N 460.604 1.575 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1508143418 GSJSHPJMDOSUCR-RHSMWYFYSA-N 455.606 1.475 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CCCO2)CC1 1516980321 CHRJTZDVSKYWRK-DEOSSOPVSA-N 467.574 1.508 30 10 JDEE C=C[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1I 1533711205 AABDLVPZDIJWIM-NSHDSACASA-N 450.298 1.616 30 10 JDEE C[C@H]1[C@@H]2O[C@@H]2[C@@H]2C[C@@H]3[C@@H]4CC=CC(=O)NCC[C@@H](O)[C@H]5NC(O)=C(C(=O)C=C[C@H]4CC[C@@H]3[C@H]12)C5=O 1534936940 FDWNTCRVFCCYKL-WAPMRUBISA-N 482.577 1.561 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1539010942 CZZRQWBLLOQAMD-IRLDBZIGSA-N 493.660 1.853 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc2cccnc12)[C@H]1CCS(=O)(=O)C1 1539200154 ADUJDEFVXRCXSH-IBGZPJMESA-N 466.567 1.640 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539200169 AOUAYZNFXFEXRH-ROUUACIJSA-N 478.644 1.407 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539205749 KFNBQPQCMULGBD-GOSISDBHSA-N 459.572 1.449 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1539206928 XIJRVPMVAJGBBU-QGZVFWFLSA-N 470.555 1.769 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539219223 BOPUKFOMOVCFDW-HKUYNNGSSA-N 463.604 1.200 30 10 JDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCCN1C[C@H](C)O[C@H](C)C1 1539288970 JLGCSIQYMCULRW-KDURUIRLSA-N 454.600 1.842 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCSC1 1539325799 NQZONXYJFWXOJO-MBSDFSHPSA-N 475.615 1.917 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC(=O)NCCC)CC1 1539434333 IDYOJYABHQJVKQ-UHFFFAOYSA-N 475.391 1.998 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1539446816 JSNSFRZJUXWRCL-HNNXBMFYSA-N 450.469 1.458 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(CCOC)c2)CC1 1539474410 QBTVUVNYQKWCRQ-UHFFFAOYSA-N 472.553 1.674 30 10 JDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC(NS(C)(=O)=O)CC1 1539521314 ZWSYFRKPAAOLFC-UHFFFAOYSA-N 463.629 1.762 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(SC)CCN(C)CC1 1539539794 YUXWRDDVXIHAIN-QFBILLFUSA-N 454.666 1.708 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C1CCC2(CC1)OCCO2 1540862217 VPSQZQIKZNZAFJ-UHFFFAOYSA-N 455.519 1.350 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(c2ccccc2)C1 1540871580 OTUZQCPQBPQMDH-HXUWFJFHSA-N 486.598 1.207 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@H](Cc3cnn(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1540876536 UYDYBEBKIDXHRJ-JPYJTQIMSA-N 457.579 1.423 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCS(=O)(=O)N(C)C)C1 1540893320 AINUQHSLAXMTEK-GOSISDBHSA-N 459.576 1.189 30 10 JDEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C1CCN(S(=O)(=O)N(C)C)CC1 1548397248 ARQMOMNRYLBSOL-ZWKOTPCHSA-N 487.548 1.894 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1552392008 FFYBTUKQHJKZDH-UHFFFAOYSA-N 485.549 1.012 30 10 JDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC(=O)Nc2ccc(C#N)cc21 1584357522 FJLNHBBCTKWRQZ-UHFFFAOYSA-N 456.480 1.187 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1588029697 KTAVWAVVYIZAAZ-RBUKOAKNSA-N 483.598 1.838 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1588050977 YPIRQKXULOTGAX-GDBMZVCRSA-N 457.585 1.930 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCCCC1=O 1588139525 OKIGUXHFEVQVPF-UHFFFAOYSA-N 460.586 1.928 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(CO)c2)CC1 1588891829 UJXNWSJFGFQCJE-RUZDIDTESA-N 467.570 1.437 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCOC2CCOCC2)CC1 1588914195 ZWIHFXRSNZRCKL-UHFFFAOYSA-N 452.559 1.892 30 10 JDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1589060806 ZABKFJBYLUSKIU-MOPGFXCFSA-N 483.660 1.517 30 10 JDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1593636052 DKYCGGBWCNNOML-IBGZPJMESA-N 478.663 1.669 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1594192180 FHNRXHSMKNDJQN-KSZLIROESA-N 454.641 1.790 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 1595507045 UUZGPTGILPRVRG-UHFFFAOYSA-N 478.605 1.781 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1595772538 BNSOFKGYKCFGEC-CYBMUJFWSA-N 461.997 1.464 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@@H](N2CCCC2=O)C1 1595805784 USKPSANIUATZRG-GOSISDBHSA-N 461.563 1.810 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCCN(c2ccccc2)CC1 1595824177 XYHFYAUJDNBHMU-UHFFFAOYSA-N 472.615 1.718 30 10 JDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N(CCO)Cc2cnn(Cc3ccccc3)c2)cc1 1596506088 HMNGGJREYKVJGN-UHFFFAOYSA-N 452.536 1.739 30 10 JDEE Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CS(C)(=O)=O)c(=O)n1C 1612074900 CLUOJJHIIMBHGM-MRXNPFEDSA-N 454.556 1.742 30 10 JDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC[S@](=O)C(C)(C)C 1614078920 AMFGAHLDLNZQHY-CVCYQNGTSA-N 458.588 1.991 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 1628651225 POULILZDDGNDAW-CYBMUJFWSA-N 451.530 1.771 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2cccc(S(=O)(=O)NCC)c2)ccc1F 1637618857 PZCHACGZIOIWLO-UHFFFAOYSA-N 455.533 1.518 30 10 JDEE C=CCN(C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)OC)c1)[C@H]1CCS(=O)(=O)C1 1668796491 HRBUFKHGNUIODA-ZDUSSCGKSA-N 451.954 1.729 30 10 JDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)cc1 1673819606 JDXHLLMRHATTQK-UHFFFAOYSA-N 459.532 1.157 30 10 JDEE N#Cc1ccc(N2CCC(NC(=O)NCc3ccc(N4CCCS4(=O)=O)cc3)CC2)nc1 1678472226 FRSJXTHELRIEFF-UHFFFAOYSA-N 454.556 1.961 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1689836059 XSFZBBSIUVJSNY-QMHKHESXSA-N 470.599 1.664 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1689981841 CFNCBZACPXZFJW-GOSISDBHSA-N 480.612 1.402 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689993288 ZVVUCDDPWLLFNS-LJQANCHMSA-N 458.584 1.809 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1689993519 GCLVKTKNBLBJJO-IPMKNSEASA-N 464.613 1.609 30 10 JDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(CS(C)(=O)=O)cc1 1690015535 POGAJSFQPNZUPX-UHFFFAOYSA-N 465.535 1.672 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1690046008 VCLYOBAZTUTWGM-XZOQPEGZSA-N 460.582 1.983 30 10 JDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1690178757 FUFCRRYBOFJWMB-HXUWFJFHSA-N 490.655 1.261 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)c1ccco1 1690264841 FFVRSEKEAOOIDN-KRWDZBQOSA-N 466.564 1.036 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(F)(F)F)CC1 1690312685 ALZPALRIKPNXGU-MRXNPFEDSA-N 465.542 1.847 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690661694 DIWDLRGPTXZFIM-PBHICJAKSA-N 460.485 1.811 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C)[C@H](OC)C1 1690670611 FTPNJXPKRHRQPX-PKOBYXMFSA-N 454.579 1.616 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(CC3CC3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690678240 PFZQRCMAYZZNTK-KDURUIRLSA-N 473.622 1.883 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1690723438 RQJWQTDMFDOBMQ-IBGZPJMESA-N 457.556 1.829 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705559231 VEFWWCUJOLIGBA-IBGZPJMESA-N 462.620 1.017 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705570575 ROLCIRGERJFDAQ-SJORKVTESA-N 461.613 1.472 30 10 JDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1705605310 HKRXHFYLVFMOHL-VIZSFHNOSA-N 479.647 1.982 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2Cl)CC1 1705648496 TXMYQVFWKSOFPJ-SFHVURJKSA-N 476.002 1.848 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(CC)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OCC)CCOC1 1705709998 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C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722538890 ZTHQKCOVFPCZOL-PNJWGLBASA-N 490.649 1.584 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2ccnn2C)C1 1722629744 NTFCDOGQBCDWCQ-ICSRJNTNSA-N 493.634 1.321 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1722694617 BSGMKIHZIPCITL-MRXNPFEDSA-N 468.558 1.760 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722695937 VSDMBFNSBIEWIW-CYBMUJFWSA-N 478.326 1.363 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc3c[nH]nc3c2)C1 1722712027 YSRQDFRHDJBHQX-CRAIPNDOSA-N 459.576 1.789 30 10 JDEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)CC1 1722838023 BLAWIIHPWTXVAF-UHFFFAOYSA-N 470.599 1.994 30 10 JDEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CC1 1728634548 BMNHQIXFOKCGNZ-NRFANRHFSA-N 471.631 1.468 30 10 JDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOC(C)(C)C2)cc1OC 1730095296 GZRDFZTXYMZXCP-GOSISDBHSA-N 456.547 1.802 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1740581767 FJNLUMBYXBFKQU-HXUWFJFHSA-N 486.642 1.767 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccn2)CCC1 1740655868 FRUFXZCGCVGKHW-FQEVSTJZSA-N 482.610 1.591 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1740709849 MKFKWLVAIJUJEO-PMACEKPBSA-N 461.680 1.778 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1740876197 FDKKFRUTGKWJHF-UYAOXDASSA-N 482.651 1.267 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)C(C)C 1740923952 AFXUUKUESMIRGY-NBGIEHNGSA-N 469.634 1.929 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1740963154 BCFRIEYVIADUQJ-NRFANRHFSA-N 489.374 1.781 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1740991242 RNHMHPKDNHBFNB-ZACQAIPSSA-N 496.634 1.570 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1748643898 ZBHQLAKWIGVGAG-CJFMBICVSA-N 466.586 1.737 30 10 JDEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1748743502 DNVYJXCANXIQEX-UHFFFAOYSA-N 483.598 1.920 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1748818602 CNSGGMMUEQFCIX-JJCDCTGGSA-N 464.588 1.546 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](c1ccc(C)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748821307 OXJYQFXCSIVPGB-FGZHOGPDSA-N 498.653 1.639 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@]1(O)CCS(=O)(=O)C1 1748950334 JNWBAHVLLJQLEN-JOCHJYFZSA-N 478.640 1.911 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1748979406 ZPWBXMVKOPJPED-MSOLQXFVSA-N 497.666 1.289 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCNC(C)=O)CC1 1749003545 MSLWRVKQOJJVIY-UHFFFAOYSA-N 453.503 1.345 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CCCCC2)CC1 1749023187 PXQGBMGLSDLRBH-SFHVURJKSA-N 468.693 1.957 30 10 JDEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749363423 COPUKBUVGCWREQ-UHFFFAOYSA-N 485.589 1.781 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1749655220 FHANLKLLMPFAFG-QHCPKHFHSA-N 489.598 1.425 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1749670063 QTSVYAXXCWRIIV-GVDBMIGSSA-N 496.634 1.222 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1749679775 AVEQTVBNJWXLQL-IAGOWNOFSA-N 454.531 1.273 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1749706989 SSLQPYOTISHUJZ-IRXDYDNUSA-N 455.485 1.723 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749730616 KUAYGCNDALFLMJ-GOSISDBHSA-N 487.586 1.016 30 10 JDEE Cc1ccc(S(=O)(=O)NCCn2c(C(=O)N3CCCC3)nnc2N(C)C[C@H](C)C#N)s1 1751580363 ACVYFPZQMUDMFZ-CQSZACIVSA-N 465.605 1.458 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(O)CCS(=O)(=O)CC1 1760096955 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C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1760363121 FMQYIGBUXVYEHK-PMACEKPBSA-N 473.599 1.973 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1760514950 PERDLHGTZLMBRW-UHFFFAOYSA-N 495.584 1.177 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(=O)N2CCOCC2)C1 1760547871 TWTXTDKPVCZMMS-FQEVSTJZSA-N 457.531 1.506 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](COC)C1 1760555268 BAIBLHUHXFWRRZ-SFHVURJKSA-N 475.619 1.526 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCN(c4ncc(F)cn4)CC3)n2CC(=O)NCC(F)(F)F)cc1 1771532493 CAUYKXPTNIEBAN-UHFFFAOYSA-N 489.437 1.751 30 10 JDEE COc1cc(C(=O)NCC(=O)Nc2c(C#N)nnn2-c2cccc(C)c2)cc(OC)c1OC 1870140500 VERJKVWFYADVAJ-UHFFFAOYSA-N 450.455 1.842 30 10 JDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccc(-n4cccn4)nn3)CC2)CC1 1889513149 ULTRUOOXYXZPIW-UHFFFAOYSA-N 451.575 1.313 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2255634488 RQUQCEBZJUJLRQ-TZMCWYRMSA-N 453.370 1.400 30 10 JDEE 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C=CCN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)cc2C1=O 514624194 GUYKPQYUZWQRBZ-UHFFFAOYSA-N 475.473 1.894 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1CC 729669698 BQOHAZNRGZQCCX-UHFFFAOYSA-N 455.543 1.914 30 10 JDEE CC[C@H](C#N)Oc1cc(CNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)ccc1OC 1136766191 GXUYMEWWLZXZHR-CTNGQTDRSA-N 458.559 1.706 30 10 JDEE N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)nc1 1167251182 BXHWOTOZFFHFCH-OAQYLSRUSA-N 454.600 1.656 30 10 JDEE COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(C#N)ccc3Cl)CC2)cc1 1207881687 BALYJRVLICIJQA-UHFFFAOYSA-N 455.945 1.915 30 10 JDEE CCC(=O)NCc1cc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)ccc1OC 1210948972 BJYISSNWYLCQKH-HNNXBMFYSA-N 458.544 1.282 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1286394865 XIXFSVFCWKPZPC-UHOSZYNNSA-N 479.628 1.312 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1286397743 UJWVYAHTRRFFBI-OAHLLOKOSA-N 465.601 1.321 30 10 JDEE 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10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1508088492 GPFUUDVYZYKTMN-APWZRJJASA-N 457.531 1.893 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1508090124 LXNWYPMFRQXWHA-IBGZPJMESA-N 473.622 1.045 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1508092884 RTSAXPHWQUUINH-UHFFFAOYSA-N 479.545 1.677 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1508139028 CBMBMVUONGEYCU-KRWDZBQOSA-N 464.636 1.326 30 10 JDEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CCN(C)C(=O)[C@@H]1C 1508149199 QDXPNYVFPBFLIH-INIZCTEOSA-N 479.628 1.847 30 10 JDEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1)N1CCOCC1 1508862532 DSWQPPBCECBZQL-NHCUHLMSSA-N 451.575 1.875 30 10 JDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)CN2CCOCC2)cc1 1518333823 DLNLVXVTVQDWDQ-WIYYLYMNSA-N 456.547 1.563 30 10 JDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCN(Cc2ccccc2)CC1 1539179546 PNEFQTZXEYAUSM-NRFANRHFSA-N 456.616 1.067 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539216425 RNTINHPLXVLRER-NHCUHLMSSA-N 485.589 1.747 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1539216526 UFAFTTMJXNETSW-KRWDZBQOSA-N 474.587 1.767 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1539218762 COWUMTKHQCGUCU-LJQANCHMSA-N 456.547 1.840 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1CC1(S(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1539229691 HDBIDMNKXKSMFT-HXUWFJFHSA-N 490.651 1.657 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)N(C)C)c1 1539296736 UIKCTMBFDLGWKS-KRWDZBQOSA-N 456.572 1.101 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1539483327 XJXPTIZEFZHKGP-OSPHWJPCSA-N 455.534 1.514 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CC(=O)N(C)CC)CC1 1539490453 VQVVPMKNSYCKRH-UHFFFAOYSA-N 468.558 1.310 30 10 JDEE C=CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O)C1CC1 1540094037 FGRRNYZFXGSJQA-SJLPKXTDSA-N 450.609 1.775 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@]2(CCOC2)C1 1540864743 JPXFYSUXVCCTFW-JOCHJYFZSA-N 474.587 1.114 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1ccccc1F 1540904996 PXLHFMUHERSZLC-QGZVFWFLSA-N 470.592 1.599 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1540908125 CFPNDLJEVMUFAT-VGSWGCGISA-N 480.562 1.981 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCN1CCCC1 1541946974 DNDVHNXLQOAADM-XLIONFOSSA-N 473.603 1.434 30 10 JDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cccc(OCC(N)=O)c1 1545040722 HFBOUKWTCATCQG-SFHVURJKSA-N 458.540 1.464 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCCCC1 1587640428 RJOUWXPGTIXRJP-ZWKOTPCHSA-N 453.609 1.666 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC[C@@H]1NC(=O)NC1=O 1587640994 WGAJRHKYFNZONO-PMPSAXMXSA-N 475.550 1.033 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2nnc(CC)s2)c1 1587683430 JTAJMFJNILGWJG-UHFFFAOYSA-N 466.571 1.935 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1588070351 ZHONRULCMJASCM-NJYVYQBISA-N 483.594 1.907 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(Cc2ccccc2)c1 1588083375 GDPRWKNQPFERCN-SFHVURJKSA-N 451.556 1.254 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C)cc2OCCOC)CC1 1588864237 ASHBCINRGATJBI-UHFFFAOYSA-N 466.586 1.538 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C1CCC1 1589070081 QJTYFMLTDJOAOQ-ROUUACIJSA-N 453.634 1.746 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1595475466 CPXMZOAQYCNWPP-IZHWHUGBSA-N 499.547 1.674 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1617385917 GNXBYXHBEMFKNH-UHFFFAOYSA-N 488.618 1.386 30 10 JDEE C[C@@H]1CN(C(=O)Cn2cc(NC(=O)N3CCN(c4ccccc4C#N)CC3)cn2)C[C@@H](C)O1 1623183656 CYTXEUBWCVXISC-QZTJIDSGSA-N 451.531 1.745 30 10 JDEE COCC[C@H](CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)NC(=O)OC(C)(C)C 1663785107 ALPSCSNQEUEBFQ-GOSISDBHSA-N 452.577 1.794 30 10 JDEE C#CCN(C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCOc2ccc(Br)cc21 1683565332 MGEOANQYHGVLLL-ZBFHGGJFSA-N 456.362 1.951 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1689982018 GHGVEJZVJMWTMG-UNMCSNQZSA-N 480.594 1.702 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1689984009 JNSTXJGVRXKLLB-KRWDZBQOSA-N 459.963 1.885 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1689996467 INGWXJYVGPGOEI-MRXNPFEDSA-N 463.535 1.149 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1Cc1cnnn1C 1690095992 KXEMJXFOQWNXON-UHFFFAOYSA-N 460.336 1.979 30 10 JDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1nc2cc(OC)ccc2n1C 1690106469 XMECZFXWWMKYLE-UHFFFAOYSA-N 451.531 1.430 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(O)CCN(C)C2)CC1 1690124954 XLHGODUHOLNQLK-RUZDIDTESA-N 487.649 1.214 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1690146403 MZBHBNATORMPIG-PMACEKPBSA-N 494.587 1.494 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@](C)(O)CCC)CC1 1690146490 OYZZYKLWOBOPPU-SANMLTNESA-N 494.644 1.969 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1690154563 RRNVCAOATUSCIP-UHFFFAOYSA-N 473.691 1.875 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1690175265 SWJGEOODJTXAOY-ROUUACIJSA-N 465.645 1.289 30 10 JDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690185222 VNFJYGIDMLFSME-KRWDZBQOSA-N 479.628 1.702 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690278503 DEYVCQCHKVCHBW-UHFFFAOYSA-N 453.590 1.396 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1690312731 BJEFLNIELNNJAX-MSOLQXFVSA-N 453.609 1.516 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1690508637 MFOHCUFABJAHAN-HOTGVXAUSA-N 465.542 1.846 30 10 JDEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690508991 UGTUSOXTTCUSHL-LJQANCHMSA-N 475.619 1.668 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690597508 VVDHYWDKLZXLKB-QRVBRYPASA-N 483.660 1.563 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1690675713 CJQDEAXSBVMRTN-XMMPIXPASA-N 465.558 1.953 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3nc(C)cs3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690678139 MEDCIHKLILYSGR-HTAPYJJXSA-N 476.603 1.964 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2-n2ccnc2)C1 1690686957 WMELUMKQFOKBPB-HKUYNNGSSA-N 471.587 1.904 30 10 JDEE COC1CCN(C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)CC1 1697666932 AIETVNCIPAPMDR-IAGOWNOFSA-N 452.625 1.665 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1705480800 YETQNMKUPMIUQS-OSPHWJPCSA-N 468.558 1.040 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1705561331 PBYFSIMZDKWZHT-SFHVURJKSA-N 492.623 1.280 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705566232 MMYICHCYJSDTGS-BJLQDIEVSA-N 489.646 1.193 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnc(C(C)(C)C)s1 1705621462 DLGRREMXCJVAKI-CYBMUJFWSA-N 455.610 1.172 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCc2cccc(C(N)=O)c2)CC1 1705649358 UQRWRIGVPZZZSW-UHFFFAOYSA-N 457.538 1.648 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)c2cccc(OC)c2)CC1 1705652499 BOBKVBJMBMZBNX-OAQYLSRUSA-N 480.569 1.534 30 10 JDEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(C)=O)CC1 1705736060 ZZNRXXZMQASLIY-UHFFFAOYSA-N 454.579 1.713 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1705795405 JGVDAKSUCXHWEE-MRXNPFEDSA-N 458.567 1.199 30 10 JDEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCNC(=O)[C@@H]1CC 1705828191 FXBNCLNSNOENSB-KRWDZBQOSA-N 461.592 1.546 30 10 JDEE C=CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1705892956 SFZUJMKUOZCAAC-FQEVSTJZSA-N 461.588 1.982 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC)[C@@H](C)C1 1705904164 HIKSTJABHGTLPL-ROUUACIJSA-N 477.610 1.419 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705907031 YCHSZZTYKCQNEB-UHFFFAOYSA-N 480.566 1.159 30 10 JDEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1711021472 HZRZISAXAPWHRJ-UXHICEINSA-N 474.587 1.768 30 10 JDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCOCC2)CC1 1712485509 ARZABSZFSKFXOA-UHFFFAOYSA-N 453.591 1.696 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC2(S(C)(=O)=O)CC2)c1 1722305253 NXIOSGCMXNIHDM-UHFFFAOYSA-N 452.540 1.907 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1722332180 FQIZGGDDCWAIIY-OAQYLSRUSA-N 452.584 1.787 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1722366413 RJXFAIXMYRVFSO-YYDVJCTNSA-N 480.631 1.761 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1722371801 YKZYQFDYCLMREV-INIZCTEOSA-N 475.962 1.314 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1(C)C 1722396603 JSSHDMSEQQEJEY-ZWKOTPCHSA-N 465.645 1.606 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)C(C)(C)C 1722448262 PLVSNQRVEDMMFB-UHFFFAOYSA-N 451.531 1.842 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1722448503 VQVDJDUYJQCQDF-PKOBYXMFSA-N 474.606 1.909 30 10 JDEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(=O)N(C)C[C@H]1C 1722625555 WDHNLRUFIJLAST-MRXNPFEDSA-N 461.592 1.498 30 10 JDEE C=CCN(CCc1ccco1)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1722673938 KHCJHVYWOZBTLC-QFIPXVFZSA-N 474.587 1.517 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccc2C)CC1 1722691444 QLFKCZFHEXIQDY-UHFFFAOYSA-N 460.542 1.863 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CCN2CCCS2(=O)=O)C1 1722721702 IXJWJNQKCVTCAR-QGZVFWFLSA-N 465.551 1.813 30 10 JDEE Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(Cc3ccc(C#N)cc3)CC2)on1 1726438927 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C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCc1cccc(C(=O)NC)c1 1740645311 CUXDRILPXRRRGG-UHFFFAOYSA-N 455.522 1.991 30 10 JDEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1740711412 NJQKTDGMNNOGFJ-MRXNPFEDSA-N 481.420 1.754 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1740810990 KNSYWPBTSJSSQI-SJORKVTESA-N 489.042 1.496 30 10 JDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCn1cc(Br)cn1 1740936717 GRTJJJMPQVFHGR-UHFFFAOYSA-N 452.357 1.812 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(C)C)C(=O)C1 1740959900 GZKJDJBAYRREOR-IBGZPJMESA-N 454.531 1.397 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1740961382 AWVPZJTTXMMIJZ-KRWDZBQOSA-N 452.588 1.906 30 10 JDEE C=CCNC(=O)Cn1c(N2CCOC3(CCOCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740966024 VJEOQJKBQLZMDY-HDICACEKSA-N 490.605 1.737 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H](C)N(C)C 1744090549 GEKIEKSGFCKIOT-DLBZAZTESA-N 468.610 1.523 30 10 JDEE 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C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1705644976 HUTSOMWHXZGAHB-AQOAWAETSA-N 480.635 1.202 30 10 JDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705657305 ZYLPTMRCGGNXQJ-UHFFFAOYSA-N 463.611 1.928 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1705811252 BDOHLSVBCBNGLZ-ZBFHGGJFSA-N 465.576 1.925 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705905520 YDGTVJZSKXHSDI-UHFFFAOYSA-N 474.009 1.471 30 10 JDEE CO[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1712100153 CNHGDXHRQJKNNA-AZUAARDMSA-N 454.531 1.482 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(C)(C)O)c1)[C@H]1CCS(=O)(=O)C1 1722360168 ZSXQKDPAMFHBAO-FQEVSTJZSA-N 485.610 1.417 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1722364528 HVBJJVLVDNNAEL-INIZCTEOSA-N 474.537 1.864 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2ncccc2Cl)CC1 1722431664 MQCBGAWXFVXYLE-UHFFFAOYSA-N 466.933 1.808 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@@H](C)N2CCCCC2)CC1 1722444140 GAAUPMXAMUPKTE-MOPGFXCFSA-N 493.678 1.119 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@@H]1C 1722507320 HXPDEUIAGRKRFM-MLHJIOFPSA-N 471.649 1.534 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1722523580 ZJMSXABEFTXSLW-HUUCEWRRSA-N 467.514 1.735 30 10 JDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1722540334 CHGBLZXXBHCVOP-UHFFFAOYSA-N 450.931 1.118 30 10 JDEE C=CCn1c(COc2ccccc2F)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722691227 QTBFOIPPKNHDKI-UHFFFAOYSA-N 475.550 1.735 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1722698313 CWKAGKYMYZNXFL-NRFANRHFSA-N 466.586 1.925 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccco2)CC1 1722726412 FAZRRUYDVVAHCX-KRWDZBQOSA-N 463.560 1.676 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(Cn2cccn2)cc1 1723932194 AEHWVXHPYYATKZ-IERDGZPVSA-N 472.550 1.623 30 10 JDEE CCCN1CC[C@@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCO[C@H](C#N)C2)C1 1728118929 GEFQAKWPUFACCY-UYAOXDASSA-N 487.630 1.656 30 10 JDEE CCN1CCCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1728583784 HHOJZFSADFIJNB-PMACEKPBSA-N 487.630 1.799 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1Cc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 1740616130 TUNMZIKNJJBQHJ-QZTJIDSGSA-N 457.556 1.047 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1N1CCOCC1 1740640644 RRPJVOXYXDDHJG-HXUWFJFHSA-N 453.568 1.138 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1740648994 WFRFPRYCNKTKNH-NRFANRHFSA-N 462.959 1.620 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1740657803 YRIBVTWHTXCVEG-VAMGGRTRSA-N 461.632 1.531 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OC(C)(C)O2 1740671213 BEDGUZXDCNCZDK-IBGZPJMESA-N 475.571 1.626 30 10 JDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740720614 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C=CCn1c(C(=O)N2CCN(Cc3ccccc3)CC2)cc2c(NCCOCCO)ncnc21 1875230975 VHAAZHRTKKTTKA-UHFFFAOYSA-N 464.570 1.996 30 10 JDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC2)CC1 1889498152 BZCNWIUQLUXYIQ-UHFFFAOYSA-N 466.582 1.320 30 10 JDEE CC1(C)OB(c2nccnc2C(=O)N[C@H]2CC[C@@H]2NC(=O)OCc2ccccc2)OC1(C)C 2248054356 HJBQOVCSFMYUTH-IRXDYDNUSA-N 452.320 1.963 30 10 JDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)[C@H](C#N)C1 2249450196 KSROEPSCVJEKIZ-IAGOWNOFSA-N 496.542 1.141 30 10 JDEE CN(CC[S@@](C)(=O)=NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255618097 GDPANZKHEXUUSU-WJOKGBTCSA-N 456.374 1.814 30 10 JDEE CCn1cc(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267492667 CLJIHTDXYDDODE-UHFFFAOYSA-N 452.361 1.161 30 10 JDEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2267547028 FLOSVTHPQFZVMQ-ZDUSSCGKSA-N 465.381 1.639 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)s1 2268638628 JUNJCFBIIWFXFO-UHFFFAOYSA-N 467.397 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C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2CCN(CCN(C)C)CC2)CC1 1359030480 WXGHMFZTKLGUAP-SANMLTNESA-N 487.693 1.348 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCC1 1359070406 LZESPFKIYLMYAE-YLJYHZDGSA-N 451.593 1.562 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CN2CCOCC2)C1 1359189259 DYCKTBDJZRCUJM-UXHICEINSA-N 496.678 1.372 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1359287401 BHQFTQIJXRXHJR-JKSUJKDBSA-N 470.596 1.243 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359329513 LJKUTSDQEWVSKO-MRXNPFEDSA-N 484.600 1.186 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1359330689 ZOMFENUEPDMUAX-UHFFFAOYSA-N 472.596 1.965 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1359334869 SXIRPQGDKCWZMG-IAGOWNOFSA-N 495.627 1.255 30 10 JDEE CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCS(C)(=O)=O)C[C@@H]2C)CC1 1359380251 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C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1539616615 RPBHFTNWYXNJMT-LAUBAEHRSA-N 484.605 1.764 30 10 JDEE COc1ccc(CC(=O)Nc2nc(Cl)c(C#N)s2)cc1S(=O)(=O)N1CCOCC1 1539951267 HDYADKLFHUCRSQ-UHFFFAOYSA-N 456.933 1.879 30 10 JDEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1540855725 OQNJKFNGQPWXNJ-UHFFFAOYSA-N 477.356 1.905 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1540872987 IPKICBXZKAYQQZ-UHFFFAOYSA-N 458.526 1.554 30 10 JDEE C[C@@H]1CCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1544241869 GGZZABRLLKZLMQ-LJQANCHMSA-N 450.591 1.511 30 10 JDEE COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCO[C@H](C)C2)CC1=O 1555573544 BYDWUEURRBIWQU-QUCCMNQESA-N 468.558 1.839 30 10 JDEE C#CCCN(CCOC)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 1562117756 LMEQDQSBKDPJFB-KRWDZBQOSA-N 451.545 1.764 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1587861435 LXDCIFFEJQVSMF-DLBZAZTESA-N 457.547 1.896 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCCN1C1CC1)[C@H]1CCS(=O)(=O)C1 1588024769 LBZGVAXVBHQNQF-OALUTQOASA-N 462.620 1.060 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CC(=O)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1588064756 OPWKGPCZSYKBEZ-QFIPXVFZSA-N 492.605 1.549 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1588065071 SXFVJSHJQOVDNF-RTWAWAEBSA-N 456.616 1.765 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccc(C[S@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1588073916 FWARQJHDQXNDKR-ADSBAMQRSA-N 464.613 1.368 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(OCCN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1588075101 XRYXPYDEAOYJMM-IFMALSPDSA-N 487.626 1.745 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1588281102 YGOOWGIVPKBAFW-INIZCTEOSA-N 465.601 1.090 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(Cl)s2)CC1 1588811973 NQPQAMMMVIFLOK-OAHLLOKOSA-N 454.021 1.893 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2COCCO2)CC1 1588961684 IQZQTHGNICTAMV-JOCHJYFZSA-N 467.570 1.855 30 10 JDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1589036310 BZOYFCKKYJVBMO-UHFFFAOYSA-N 451.600 1.830 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1589544915 KRFXKRBVECUXJX-IIZPIQPGSA-N 460.623 1.800 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C 1595166419 SYBCBYMGHLCATE-VQTJNVASSA-N 470.622 1.427 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](CN4CCOCC4)C3)n2CC(=O)NCC(F)F)cc1 1620350089 BOGSAXJBEDZTFT-GOSISDBHSA-N 473.528 1.747 30 10 JDEE C=C(C)C[C@@H](NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)C(=O)OCC 1633296919 KHSDTLYTSWKVOS-QGZVFWFLSA-N 450.561 1.770 30 10 JDEE C#CCNS(=O)(=O)N1CCN(CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)CC1 1654022699 QTHAPFMAKCXCLP-QHCPKHFHSA-N 458.559 1.459 30 10 JDEE C#CCOc1ccccc1CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1661583818 PWYFBULMGVWTKY-UHFFFAOYSA-N 450.538 1.198 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2cc(Cl)ccc2OC(F)F)CC1 1679655000 DMBZMMACSMBOOW-GFCCVEGCSA-N 450.895 1.797 30 10 JDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@@H](O)COc3ccc4c(c3)OCO4)C2=O)cc1 1686081908 DQAASNGRLRVVAZ-MJGOQNOKSA-N 452.467 1.521 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(C(N)=O)CCOCC1 1689826569 QQSPONVVKRBWPO-HNNXBMFYSA-N 458.950 1.602 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1689996838 PQAMTSSHSHQPEP-YZGWKJHDSA-N 495.001 1.677 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OC1CCCC1 1690019575 MKOGPMCRXXZXTL-NRFANRHFSA-N 498.609 1.449 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN2CCOCC2)c1 1690077605 SCAKUJCAEVTTRD-OAQYLSRUSA-N 457.600 1.520 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2(C(=O)NCC)CCC2)CC1 1690141900 DNKARAYDTCENDE-UHFFFAOYSA-N 451.575 1.556 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1690144148 NMTQOEVPGHMSGQ-INIZCTEOSA-N 476.507 1.585 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@]2(OC)CCOC2)CC1 1690152314 HCOUKFQHKMJBBQ-XMMPIXPASA-N 471.533 1.768 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690183272 RSZJUFMTZZXXPY-CABCVRRESA-N 460.585 1.571 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)C1CCCCC1 1690206527 SZELSSXNWFEZMH-AUSIDOKSSA-N 492.646 1.394 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(C)(C)O)c1 1690206643 WIMXHARVVPSQSZ-HYBUGGRVSA-N 487.626 1.879 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCCCO2 1690597568 XOBVXPNUFSKBNZ-OAQYLSRUSA-N 489.598 1.999 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1690655294 NSPLUCZISJDUHK-VQTJNVASSA-N 457.623 1.907 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1690661044 TVJBNOQPVWNCQT-RTBURBONSA-N 481.667 1.139 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@H](C#N)C1 1690662962 HNDKHCUCSFLSBN-CQSZACIVSA-N 461.320 1.747 30 10 JDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1690669485 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WFMMPQNBTCMTBC-UHFFFAOYSA-N 460.542 1.661 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705558841 JUUNNJNTFQFLAX-RTBURBONSA-N 476.647 1.261 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705559100 QXPDDCGGZFNVQF-FQEVSTJZSA-N 476.647 1.405 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705563521 YYXBRWATGISESM-IVZHQMGZSA-N 482.965 1.904 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(OC)c(O)c1)[C@H]1CCS(=O)(=O)C1 1705572339 YAQRNFWQYNFIPC-WFXMLNOXSA-N 490.582 1.391 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)N1CCSCC1 1705612518 IKMSNAYORCANMX-IBGZPJMESA-N 477.612 1.629 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(=O)NCCC)CC1 1705631842 BCPLQFNLWWPOMG-UHFFFAOYSA-N 457.966 1.143 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C)N(C)C2CC2)CC1 1705640364 OPUUUSHSFOWYMQ-PZJWPPBQSA-N 487.649 1.824 30 10 JDEE 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1.419 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc3c[nH]nc3c2)C1 1722712031 YSRQDFRHDJBHQX-QAPCUYQASA-N 459.576 1.789 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(CC(=O)NC)CC1 1722729104 FMEFJIFTOREUQL-UHFFFAOYSA-N 485.614 1.470 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1722730776 CHEMMZDDYQUHJA-XYJFISCASA-N 474.587 1.216 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1722746013 HLXOMKQEAVMOHW-GYHWCHFESA-N 488.552 1.790 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc(Br)cn1 1722866873 CZSFWZDWESVEPC-STQMWFEESA-N 456.370 1.435 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1740616288 XUFAGYGJNLFKAJ-IBGZPJMESA-N 476.647 1.263 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1740619234 MUOOXYVGSMRAOI-JTSKRJEESA-N 480.537 1.883 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1740621360 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1740850416 GBBDUOFDSMDTMX-SFHVURJKSA-N 476.603 1.877 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCN(C)C(C)(C)C1 1741129434 DKXUWWDAIUHJAZ-GOSISDBHSA-N 477.617 1.814 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@H](C)N1CCOCC1 1741916878 FHRRRLUMKNPRMS-MOPGFXCFSA-N 499.641 1.774 30 10 JDEE COc1ccc(C2(Cn3c([C@@H](C)NS(C)(=O)=O)nnc3N3CCO[C@H](C#N)C3)CCC2)cc1 1748601022 GGXMXLNYAHMJQN-VQIMIIECSA-N 474.587 1.748 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCCCSC)[C@H]1CCS(=O)(=O)C1 1748801785 GNOVSFCPDMWIQU-KRWDZBQOSA-N 453.634 1.674 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1748820038 XWMXDMJUPOVYFN-FQEVSTJZSA-N 490.655 1.519 30 10 JDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1748913495 WGJCYXLLYFLRHE-RUZDIDTESA-N 466.586 1.739 30 10 JDEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCCN(CC)S(C)(=O)=O)CC1 1748986897 LGFMBZTWCRJVOJ-UHFFFAOYSA-N 483.642 1.864 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccccc2CN2CCC[C@@H]2CO)CC1 1749015637 ZZEFQOYTHPKFLM-HSZRJFAPSA-N 464.614 1.811 30 10 JDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749024067 DJHNSQYHINBGPO-QGZVFWFLSA-N 464.573 1.738 30 10 JDEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749044050 MUARDXGQRAZFMI-LJQANCHMSA-N 452.584 1.902 30 10 JDEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749204463 HAPMCQNMEMQXFF-UHFFFAOYSA-N 468.558 1.759 30 10 JDEE C=C(C)COCCn1c(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)nnc1C(C)(C)C 1749241939 XKYYHVJSZWHKIT-UHFFFAOYSA-N 465.624 1.721 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1749666618 NZYWVNCEIOGFQT-UHFFFAOYSA-N 499.597 1.668 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1749682939 DGOWRPQYGBVTAJ-VWPQPMDRSA-N 466.542 1.754 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(=O)N(C)CC)C1 1749705115 GKQVBOLFCAWEEO-QGZVFWFLSA-N 465.558 1.935 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCSCC2)cc1 1760098666 VYMDTEAMTRPHGM-IAGOWNOFSA-N 462.645 1.948 30 10 JDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1760135249 ONGDVZXXABYWEF-SFHVURJKSA-N 497.625 1.761 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(COC)c1)[C@H]1CCS(=O)(=O)C1 1760182757 LYWPIZGIIAPNTC-IBGZPJMESA-N 459.572 1.238 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCNS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1760184087 UNSLLGNIPHLYMA-KRWDZBQOSA-N 486.019 1.165 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1760186868 RRUXORALQWHWAV-SJLPKXTDSA-N 483.015 1.509 30 10 JDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1760196981 UQNKHCVCEZZRBU-DEOSSOPVSA-N 473.574 1.685 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCNS(C)(=O)=O)CC1 1760255652 NDTNTBDZQKKUQY-MRXNPFEDSA-N 462.645 1.436 30 10 JDEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@H]1C 1760357698 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C=CCS(=O)(=O)CCn1c(N2CCC[C@H](NC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540908931 SAZUEDAPODKLCQ-GHTZIAJQSA-N 469.608 1.024 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN(C)CC(F)(F)F 1541675262 GFPBLBGKTOAOTG-HNNXBMFYSA-N 494.526 1.287 30 10 JDEE CN1CCC2(CC1)C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccccc1O2 1558918603 BHUCUOHJYUTRJI-FQEVSTJZSA-N 454.552 1.941 30 10 JDEE C[C@H](CC#N)NC(=O)Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O 1565695169 IBOHJJMJQYDSSK-GOSISDBHSA-N 456.506 1.875 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@]2(COC)OCCc3ccccc32)s1 1569918007 VWMCMEHYIITVMR-OAQYLSRUSA-N 450.582 1.986 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CCS(=O)(=O)N2CCSCC2)c1 1587684575 ZIMIAIFKYAEEFA-UHFFFAOYSA-N 490.655 1.836 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1588074833 SUMYRTPFIXFJMN-OMZCGLGVSA-N 466.604 1.444 30 10 JDEE C#CCN(CC#CC)c1nnc(CSc2ccccc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1588254028 NDZVJJFUOZZQOT-JOCHJYFZSA-N 474.608 1.592 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCn2cc(Cl)cn2)CC1 1588884547 DVOIBAQZGAGTFW-UHFFFAOYSA-N 481.948 1.441 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cn2)CC1 1589494202 KTWGHDLMLGEUNU-UWVAXJGDSA-N 493.609 1.730 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccccc2F)C1 1593696602 UFGQXDYRHNHNMX-HRAATJIYSA-N 467.567 1.718 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCCOC1 1595551093 LLQGRBFKPBTGFC-ZWKOTPCHSA-N 478.594 1.752 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](N2CCCC2=O)C1 1595577341 PYGVHFGFELTASH-IBGZPJMESA-N 452.559 1.977 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](N2CCCC2=O)C1 1595602446 KKESVPACFQMPHD-MSOLQXFVSA-N 487.605 1.853 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCn2nc(C)cc2C)C1 1595730275 VHPXOPPUYNUTRX-UXHICEINSA-N 493.634 1.296 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](COc2ccccc2)C1 1595788749 ITFBUXYFLZJDHG-OALUTQOASA-N 475.571 1.114 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1595789581 XBONYPVTLOVSPP-DOMZBBRYSA-N 491.492 1.763 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN(C2CC2)C(=O)C1 1595824199 YKGBQLDWIORNPD-UHFFFAOYSA-N 459.572 1.577 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)NC2CCN(CC(=O)OC(C)(C)C)CC2)ccc1F 1597169941 DEODTGVZGZLOKE-UHFFFAOYSA-N 455.552 1.826 30 10 JDEE CCN(CCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](C#N)C1)S(C)(=O)=O 1615625185 DSPDVYNPKXXZNA-IBGZPJMESA-N 471.587 1.681 30 10 JDEE C[C@H](CC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)/N=C1/NS(=O)(=O)c2ccccc21 1617184025 ATVQHJUIRSZRGX-MJGOQNOKSA-N 451.552 1.740 30 10 JDEE Cc1onc(CC(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1C#N 1624022819 GPYOZPKLHQYROU-UHFFFAOYSA-N 453.318 1.693 30 10 JDEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 1625034749 HIVGMWWVHKTIRO-FQEVSTJZSA-N 454.508 1.351 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)c1 1628082052 DVOYIXDZVMWDAW-UHFFFAOYSA-N 451.517 1.145 30 10 JDEE C#CCC1(NC(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CCCCC1 1657641524 XMERWCKQHGQUAE-QGZVFWFLSA-N 453.586 2.000 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)Cc1ccccc1 1689966453 SAZAIIURVFQUFV-HXUWFJFHSA-N 460.604 1.203 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCSc1nccs1)[C@H]1CCS(=O)(=O)C1 1689978505 XAWGIVNIFQAPDE-INIZCTEOSA-N 494.668 1.780 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1690139114 AIOZGIUDILICLZ-SFHVURJKSA-N 468.558 1.307 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(O)CCOC2)CC1 1690139251 FJGQOYFPXDUVJA-QFIPXVFZSA-N 461.925 1.855 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1690170477 KJWICOGPSFYXTH-CVEARBPZSA-N 488.639 1.816 30 10 JDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(C)(C)CN1CCOCC1 1690226577 DNTBOKXMOXJYHJ-OAHLLOKOSA-N 455.401 1.932 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1690245528 JPOFOYKPYCZVMI-DXIQSLLYSA-N 473.622 1.201 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cn(C2COC2)nn1 1690258576 KVZJYDZFTQKADZ-UHFFFAOYSA-N 457.560 1.962 30 10 JDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1690313527 WMNSRCZNIUQJCB-PMACEKPBSA-N 460.623 1.944 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1690508527 KNWHWCQURMMXDL-MSOLQXFVSA-N 499.634 1.503 30 10 JDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1690627690 SLLGYMDLQPIPQT-MRXNPFEDSA-N 462.576 1.779 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)CCCCC)CC1 1690644285 BQWTWBDROFXUEO-SFHVURJKSA-N 468.624 1.462 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1690644573 UETHSKQRFWLDDS-SFHVURJKSA-N 451.549 1.451 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2cccc(C)c2)C1 1690699914 LENWWDIPFFMCFD-LEWJYISDSA-N 491.614 1.780 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1690723019 FFTAVSCDPVMSSJ-HXUWFJFHSA-N 483.598 1.024 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1695917327 HRSUGTGHGPIHLN-SFHVURJKSA-N 465.558 1.702 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOC1CCCCCC1 1705494920 IEXDKJKUZKKPLI-HKUYNNGSSA-N 453.609 1.808 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1705558684 FIJVEQKOMZBMRL-KRWDZBQOSA-N 476.628 1.402 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCOCCN(C)C)[C@H]1CCS(=O)(=O)C1 1705562951 NLVQYKSHUMVLQC-KRWDZBQOSA-N 483.997 1.943 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1705567921 CQMMJBJZSAFOMS-PZJWPPBQSA-N 469.567 1.925 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1705620821 HOIUXKDZKFQREH-GBESFXJTSA-N 490.605 1.527 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1705629082 WTLXKUOHXGNRFB-KRWDZBQOSA-N 481.619 1.666 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2OCC)CC1 1705648040 PNKOGZWLWJDEJT-LJQANCHMSA-N 450.543 1.642 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1705649085 JWGGOJOBQQXMSZ-UMSFTDKQSA-N 479.610 1.571 30 10 JDEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)OC)CC1 1705663896 RPZJTKXWJCTQDH-UHFFFAOYSA-N 497.669 1.898 30 10 JDEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705730054 ARTSTBFIRINXEC-UHFFFAOYSA-N 498.584 1.054 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccco1 1705935979 HLTQFVSNKQZZQY-NVXWUHKLSA-N 487.604 1.002 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705937387 SCXDNNZDWDRDKP-QFIPXVFZSA-N 478.619 1.426 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](c1cccc(OC)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722362083 RRRSNRYJFDVEIL-RBBKRZOGSA-N 497.625 1.617 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722364883 BLYYHCFGHNWOGR-QZTJIDSGSA-N 481.619 1.714 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@@](O)(c1ccccc1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722369655 DHRMXQZPWXLMRX-FXAWDEMLSA-N 486.516 1.891 30 10 JDEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1722388354 URFCKQWXCOMMHO-NRFANRHFSA-N 460.581 1.201 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)N(C)Cc2ccccc2)CC1 1722433122 LWLCVXTXTXQQOK-RUZDIDTESA-N 466.586 1.344 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](COC)OC)CC1 1722441516 SADGEMURSWMWOM-NRFANRHFSA-N 482.585 1.774 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(F)c(F)c2)CC1 1722447770 OVXAGMRIBBEJDL-GOSISDBHSA-N 491.564 1.667 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1CC 1722511291 ZOGUTAWWPWQUES-HCXYKTFWSA-N 453.609 1.971 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1722527609 OYYGHYCAXMEGKD-IBGZPJMESA-N 455.563 1.677 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1722583665 SUMVSZJYIQZJDN-DLBZAZTESA-N 477.553 1.846 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H](C)c1nccs1 1722724591 AVLINPCNBPTEIZ-OAHLLOKOSA-N 452.606 1.811 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722749209 GVSYSJAQQCDNBC-KRWDZBQOSA-N 475.531 1.010 30 10 JDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(=O)(=O)Cc2ccon2)C[C@@H]1C 1726723373 CYIMQKYTVOBDJX-CALCHBBNSA-N 485.570 1.929 30 10 JDEE CCC(CC)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1727147814 HCPHYJPINCCVGE-PXNSSMCTSA-N 468.624 1.946 30 10 JDEE CCCNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1728183298 CGKXTXWEKILXPH-HXUWFJFHSA-N 465.558 1.880 30 10 JDEE CCN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)C)CC1)S(C)(=O)=O 1728333012 AVHTWQVUYGXPFI-UHFFFAOYSA-N 487.630 1.839 30 10 JDEE CCNC(=O)C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1728648501 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C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(=O)CCC)cc1 1740639270 ABHBHDVCDCEJLB-NRFANRHFSA-N 498.609 1.471 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2oc(CCC)nc2C)CC1 1740704951 XVNMHFKCSOEIDG-UHFFFAOYSA-N 450.547 1.942 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1740706151 RTEXCRVKAHNLQP-SFTDATJTSA-N 458.607 1.105 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1NC(=O)CC1(C)C 1740914502 GEDZZKCSSNVUEX-LPHOPBHVSA-N 485.614 1.867 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cc[nH]n1 1740918365 OUDMSVRBQDHBAB-SFHVURJKSA-N 469.571 1.526 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC1 1740923836 WVBLRGOKSVQCBG-SJLPKXTDSA-N 467.617 1.902 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1740950821 IPVSASGTXRRBBC-UHFFFAOYSA-N 458.538 1.432 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(Cl)cc2C1 1740960664 XIRUUEYVPACCLV-GOSISDBHSA-N 495.005 1.129 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1740962290 YJJTUCGKVDDXRG-UHFFFAOYSA-N 477.573 1.390 30 10 JDEE Cc1nn(C)c(C)c1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1742656023 AVIKOWFFDRWOKT-GOSISDBHSA-N 484.586 1.323 30 10 JDEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1746052315 DMRCAWYCYQLDHY-UHFFFAOYSA-N 487.568 1.943 30 10 JDEE CCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CCOC)C(=O)C2)cn1 1746357207 GYPOFETZDZAACG-UHFFFAOYSA-N 464.530 1.288 30 10 JDEE Cn1cc(-c2nnc(N3CCO[C@H](c4cccc(C#N)c4)C3)n2CC(=O)NCC(F)(F)F)cn1 1748012636 AERNYKKFJKFTSW-KRWDZBQOSA-N 474.447 1.807 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1748802855 SLQGIXBKUWHOHP-DFQSSKMNSA-N 477.631 1.804 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1748807682 BCTQGHHFKICXSH-QZTJIDSGSA-N 452.964 1.887 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748811881 NERBEHZMTLAARU-SFHVURJKSA-N 487.607 1.384 30 10 JDEE C#CCN(c1nnc(C2CC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748814296 CUDKWGLQOUDRMA-IAGOWNOFSA-N 475.537 1.435 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1748819916 UQUDCRAKRJWNIH-NRFANRHFSA-N 456.616 1.767 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(O)CCCCCC1)[C@H]1CCS(=O)(=O)C1 1748821331 PISJVZNWXQXMKT-SFHVURJKSA-N 463.604 1.113 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1748821476 QQOJASDYGFKVDX-LEWJYISDSA-N 483.638 1.995 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1NC(=O)CC1(C)C 1748831549 OZWIDANORYIEMU-IBGZPJMESA-N 451.527 1.958 30 10 JDEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1749222392 HDNXDZXCKVSBJQ-INIZCTEOSA-N 461.592 1.498 30 10 JDEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1749318581 BAZKZGGSGHTTQC-WIYYLYMNSA-N 468.558 1.839 30 10 JDEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@H]1C 1749457833 RECCXGZHEPZNTL-MSOLQXFVSA-N 478.594 1.846 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1749664121 GPMSMOOHUPGEBL-LJQANCHMSA-N 483.592 1.909 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](OCC(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1749681529 DBLJWKIRQRXFFZ-BEFAXECRSA-N 461.485 1.780 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(CS(C)(=O)=O)c2)C1 1749718090 SWXZSMDYOZVOBH-FQEVSTJZSA-N 473.599 1.775 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1749735885 CJKHEWJIFHARLJ-UHFFFAOYSA-N 496.593 1.533 30 10 JDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCNS(C)(=O)=O 1750749986 GLPXOIJBWQBTOW-UHFFFAOYSA-N 466.011 1.877 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCN1CCCC1 1751220755 FWRUSTHPOLPNFZ-IBGZPJMESA-N 486.646 1.572 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(Cl)c1 1760117979 WLCCBZVXEDYFAD-KBXCAEBGSA-N 467.979 1.779 30 10 JDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1760171724 HEAHFYFUTAVHTQ-VZCXRCSSSA-N 483.573 1.988 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1760180448 FQQZXBRCBZSVNX-OZIGNCPNSA-N 466.604 1.230 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1cnnn1 1760202946 QXLYBVURKDWEDQ-SFHVURJKSA-N 453.551 1.542 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1CCS(=O)(=O)N1CCSCC1 1760204020 ZJWATEDUYGFSPW-UHFFFAOYSA-N 478.043 1.974 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1760247790 PIGQEGCXDLNIID-UHFFFAOYSA-N 491.474 1.439 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2(COC)CCCC2)CC1 1760270006 RPLDQSSSDJTYIU-FQEVSTJZSA-N 491.658 1.743 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1760407282 YZRVEXDWLGKUHF-LJQANCHMSA-N 492.621 1.112 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(F)(F)F)C1 1760548745 OHACTQCJXDVSNI-STQMWFEESA-N 473.543 1.268 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCN(C(C)=O)CC2)C1 1760549572 HGUMTKLGVITOLZ-OAQYLSRUSA-N 456.595 1.085 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1760553455 CTHVOERMVGVPFE-KRWDZBQOSA-N 499.597 1.499 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1760554224 WIOMKMUKHGEHFF-QFIPXVFZSA-N 471.587 1.735 30 10 JDEE C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 1763232482 FSVWJXOATJHFBV-NRFANRHFSA-N 497.644 1.996 30 10 JDEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)CC1 1767099407 ACCVAJISFULGGD-HXUWFJFHSA-N 480.617 1.138 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C)c1 1771111962 BTSVFFBPLMQTRI-IBGZPJMESA-N 462.576 1.334 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1772567154 KVTADCBABBLRDH-IRXDYDNUSA-N 475.594 1.362 30 10 JDEE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)C[C@@H]2C(=O)ON1C(=O)c2ccccc2C1=O 1772789298 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Cc1c(C(=O)N(C)CC2(O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2287303200 KTALATKMNNALAF-UHFFFAOYSA-N 464.372 1.082 30 10 JDEE Cc1cc(CNC[C@@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369678529 FZUBKGKMXKWAFG-HSALFYBXSA-N 462.396 1.725 30 10 JDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 729332113 VDYPVXBMSLISKE-GOSISDBHSA-N 468.597 1.135 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(OC(F)F)cc1 729669804 DNNYINUQZKYDOF-UHFFFAOYSA-N 493.495 1.953 30 10 JDEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)NC[C@@H]1CN(CC(C)C)CCO1 730028540 CPMKVOANZNSNCC-BCHFMIIMSA-N 498.580 1.168 30 10 JDEE CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1227631533 GWNSNKFCDOHUQW-VXKWHMMOSA-N 458.522 1.797 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286384753 RNUDIPSSQSBSGH-NRFANRHFSA-N 452.584 1.929 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1286391786 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C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1N(C)CCCC1(C)C 1286758836 WLILBHPFRIEGHD-MOPGFXCFSA-N 466.652 1.910 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286782334 RPHICGYTDADEHE-UHFFFAOYSA-N 499.373 1.597 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1298283553 HIFCFYRSUXCNEE-ROUUACIJSA-N 457.560 1.019 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC2(C(N)=O)CCCC2)c1 1300332287 BIEPQPCLGDPXEE-UHFFFAOYSA-N 458.526 1.837 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1300409168 GAYYNBHAVVFXAL-QZTJIDSGSA-N 496.634 1.470 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1300505791 JBSBOFCRPOPVQL-BJLQDIEVSA-N 491.639 1.794 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(NC(C)=O)cc2)CC1 1300710511 DNEDIWUOGJXARK-UHFFFAOYSA-N 477.569 1.487 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CCSCC2)CC1 1300717029 VVBDXYVPEXEZGT-UHFFFAOYSA-N 498.653 1.977 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC(F)F)cc2)CC1 1300723459 UGRMLROMOHAAEG-SFHVURJKSA-N 472.496 1.845 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CCC)CC2)CC1 1300726545 PQLBOCNKQLMBDQ-IBGZPJMESA-N 492.646 1.157 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1300989404 BADVPXVOPIYYFQ-IBGZPJMESA-N 478.619 1.700 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCOC2)C1)C(C)C 1301368217 ZFCJANACFVOTFI-IMSXRSKXSA-N 493.674 1.875 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1301498466 OMVXHBSPPAKNFL-IAGOWNOFSA-N 462.913 1.902 30 10 JDEE CCCN(CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1306806640 HQFCKXCJLGESLG-UHFFFAOYSA-N 452.607 1.759 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1313962847 AADWMEPAXVSSLL-HXUWFJFHSA-N 479.585 1.807 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358955144 FSJVJKNDXZUFAL-AQNXPRMDSA-N 492.690 1.800 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1358966796 XBVYCNFSXAPSHB-IBGZPJMESA-N 469.571 1.474 30 10 JDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC2(CCCCC2)O1 1359019056 JDGIGWNZDUMFJQ-ROUUACIJSA-N 453.609 1.856 30 10 JDEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@](C)(C(N)=O)C1 1359222667 OJWFSTAIRCPZGS-QFIPXVFZSA-N 475.619 1.841 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1359287535 JMKRWFHIZHQMQL-PMACEKPBSA-N 475.638 1.989 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC(F)(F)C2)C1 1359321796 LVCJHMPJMKZFLP-BBWFWOEESA-N 475.562 1.828 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1359324341 JBBVINCVKWGBHF-QGZVFWFLSA-N 476.578 1.476 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(NC(C)=O)CC1 1359329779 UNCRWZMSGHWDNJ-UHFFFAOYSA-N 461.544 1.380 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@](COC)(C(=O)OC(C)(C)C)C2)c1 1454298495 TXQBWNQZKRZNDF-NRFANRHFSA-N 454.545 1.350 30 10 JDEE Cc1c(Br)c(C)n(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c(=O)c1C#N 1457778156 HCDFTJSKWYNNJA-CYBMUJFWSA-N 455.309 1.805 30 10 JDEE C#CCN1CCN(C(=O)CN(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)CC1 1460713329 NRURQOVQVKPDRH-UHFFFAOYSA-N 456.587 1.248 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)c1 1466882740 QLSBRLNSRPKEIK-UHFFFAOYSA-N 454.552 1.197 30 10 JDEE CCCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cn1 1501262301 CLDQHRASOPDTQR-SJLPKXTDSA-N 477.591 1.581 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC[C@H](C(F)F)N1CCOCC1 1507533332 MAJQYCQGZCJLKC-GOEBONIOSA-N 450.490 1.820 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1507563337 FPXAWXVZVBIEMO-GJZGRUSLSA-N 461.510 1.489 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1507564007 LMKOKLLJOXLESP-QZTJIDSGSA-N 453.609 1.666 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCN(CC)CCC)[C@H]1CCS(=O)(=O)C1 1507631431 PMCNVJVEKQZZGR-KRWDZBQOSA-N 476.603 1.364 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1507636574 ASBOWPQWJRFNCE-JZXOWHBKSA-N 465.601 1.442 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCC(O)CC1 1507653379 NSVCDXVIANLTOS-UHFFFAOYSA-N 462.602 1.372 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COCCO1 1508007823 IOZGPTQHWSSEBM-FUHWJXTLSA-N 483.616 1.281 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(=O)NC(C)(C)C 1508072150 HSEMGBKBSHTDTJ-UHFFFAOYSA-N 462.576 1.002 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1508152885 TZGRQTOGDRFRBJ-MRXNPFEDSA-N 496.634 1.909 30 10 JDEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1508162135 LFWHFTAYYVATDI-JOCHJYFZSA-N 455.588 1.998 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1539003608 PJRRCTVXLPTIEE-YJBOKZPZSA-N 476.541 1.511 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Cl)ccc1OC(F)F 1539178881 LIBVDMOQZWPDIH-MRXNPFEDSA-N 489.932 1.984 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1539211193 JBKLJWMLZNWKHL-INIZCTEOSA-N 460.585 1.562 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N(C)C1CC1 1539246774 XEQJSMJKVHDZHK-SFHVURJKSA-N 454.600 1.751 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1539413995 QBGRSSQDMUDZQL-RBUKOAKNSA-N 456.547 1.290 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2nc3cc(OC)ccc3n2C)CC1 1539429853 CWWMOJZOXXXOSR-SFHVURJKSA-N 467.574 1.701 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(=O)NCC(F)(F)F)CC1 1539460088 VRGHXSOBDOBWAX-UHFFFAOYSA-N 464.492 1.908 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CCCS(C)(=O)=O 1539552563 VJOQWBCPZXDVCW-HXUWFJFHSA-N 464.617 1.665 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)S[C@@H](C)C1 1540038314 YZPNBDITSICDIW-ULQDDVLXSA-N 459.638 1.534 30 10 JDEE Cc1nc2ccccc2c(=O)n1CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1540728432 HFEKLPISSMAHCX-UHFFFAOYSA-N 451.508 1.110 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2F)CC1 1540858011 BARZMMXTKJZHEQ-GOSISDBHSA-N 450.540 1.263 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1540897248 FGSKQJGCHKKVCL-BGYRXZFFSA-N 452.669 1.997 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)OC)CC1 1540903943 HQXLTGDQNNLKOH-UHFFFAOYSA-N 463.560 1.367 30 10 JDEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C1 1541039325 BPWCWTSFGWHTCS-LJQANCHMSA-N 467.574 1.996 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1CCCC1 1541941280 HWRKYDDGHQIHJG-MRXNPFEDSA-N 458.592 1.672 30 10 JDEE CS(=O)(=O)CC1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC#N)CC2)CC1 1555800659 DHWRQARAESVTHD-UHFFFAOYSA-N 457.560 1.880 30 10 JDEE Cc1cc(C(=O)NC2CCN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)no1 1564689236 FKQVZDAVWKGFGT-LJQANCHMSA-N 450.499 1.560 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCN1CCOC1=O 1587661973 KGVWDEKOMJFGDI-NRFANRHFSA-N 465.602 1.943 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1CCCN1CCCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588030504 WOZVBOPZLVMXNF-AQNXPRMDSA-N 451.637 1.919 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(CN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1588050915 XUHRLONMXVKRBF-OAQYLSRUSA-N 467.599 1.415 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCCN1CCOCC1 1588214157 KALLEMMREGNMSU-UHFFFAOYSA-N 483.642 1.814 30 10 JDEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CCS(=O)(=O)C1 1588280646 ONWNODGMZBSJOM-SFHVURJKSA-N 471.352 1.856 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1588884445 ARBKWAMLGZKJCP-CLOONOSVSA-N 471.650 1.893 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCSC2)CC1 1588899371 OTVCJSXROICENM-JOCHJYFZSA-N 470.555 1.687 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)CCS(C)(=O)=O 1589054153 ZBWMRMUNMNBKEE-UHFFFAOYSA-N 474.612 1.429 30 10 JDEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1593887208 XWZCNSJJYIAPKK-CABCVRRESA-N 467.958 1.553 30 10 JDEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1593890107 YEVQJUKYZUNNDT-UHFFFAOYSA-N 494.930 1.407 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1594732295 BSTVGNKJXMEELO-IBGZPJMESA-N 480.635 1.416 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)nc1 1595219297 SXEDSUXDMIWZNP-INIZCTEOSA-N 452.968 1.886 30 10 JDEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)NCCOC)CC1 1595330590 XYPYUDQTWGSPNY-UHFFFAOYSA-N 452.357 1.106 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1595797994 KUZCFUAYULBFDF-SJORKVTESA-N 460.622 1.524 30 10 JDEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1620171589 FJWVEXNZEJJGBR-NRFANRHFSA-N 487.630 1.182 30 10 JDEE C#CCN(C(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1)C1CSC1 1641189166 UKKQMTOIEIXIRO-UHFFFAOYSA-N 459.387 1.661 30 10 JDEE C#CCN(C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC)[C@@H]1CCOc2ccc(Br)cc21 1687012776 WFXHWKGCJZRJPJ-INMHGKMJSA-N 457.346 1.730 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1689982367 LKINEMUVBKCHDC-IIBYNOLFSA-N 459.528 1.070 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCN(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1689984071 KRJWSJDRNXQFAM-JOCHJYFZSA-N 496.637 1.679 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689987688 APKJMCNSVMSJMW-PKOBYXMFSA-N 471.612 1.726 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1CCCN(C)S(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1689991098 VSWJDIKJPZIDPQ-GOSISDBHSA-N 471.649 1.234 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1690013477 PYAZTEKNHWCVDR-RUZDIDTESA-N 459.554 1.375 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c(OC)cc(OC)cc1OC 1690019866 SWLPZVFZEIJMGE-KRWDZBQOSA-N 472.567 1.522 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1690113745 SSHCWUZPNWADQH-YADARESESA-N 476.622 1.989 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1690152778 XOBFPGNXGIOHKK-IBGZPJMESA-N 499.637 1.820 30 10 JDEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCNC(=O)CC1 1690170266 DATNVOMJGZRZPO-UHFFFAOYSA-N 465.583 1.758 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690421241 ZMNVUELXPAXRIO-SJORKVTESA-N 468.624 1.318 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690622723 WHIJMPFWPXYDPP-QRVBRYPASA-N 453.609 1.625 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690644289 BXZNZPNEKPIKSN-HNNXBMFYSA-N 475.550 1.293 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1690660168 AGJMBOIZGFMUDD-QGZVFWFLSA-N 468.537 1.920 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1690669044 RWDZATNJDBQVKZ-GOSISDBHSA-N 468.587 1.609 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccccc2)C1 1690715600 OZRJWTKHDPNWSY-SJLPKXTDSA-N 467.617 1.483 30 10 JDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1694211524 DIBQIBPLOKKTJF-FQEVSTJZSA-N 492.628 1.866 30 10 JDEE CN(C)C(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)CCCC1 1696573280 DAPMTFMCSBLVQR-SFHVURJKSA-N 465.558 1.689 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2C[C@]2(O)CCN(C)C2)c1 1705505456 NPHREHDUINBGFD-VWLOTQADSA-N 459.554 1.771 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1705559098 QWYKXFDJSGBXKC-HXUWFJFHSA-N 455.584 1.692 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705562049 XKORIVSXTGREOZ-LGVFNWMJSA-N 493.674 1.677 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(C(=O)N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1705565639 JAMZKYOGGQFNBE-OALUTQOASA-N 477.631 1.795 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1705567116 UJJZIVYCPKXJMX-QGZVFWFLSA-N 459.963 1.825 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1705570489 QNTZFNCHYVUKPK-KRWDZBQOSA-N 450.586 1.099 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CCNC(=O)c1cc[nH]n1 1705578886 KTSKEILRAFLNKZ-UHFFFAOYSA-N 452.316 1.934 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCNC(=O)c2cc[nH]n2)CC1 1705637283 PQQNANBWFJDOAS-UHFFFAOYSA-N 483.374 1.616 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1705637600 DKZLOMWKSRPHCF-UHFFFAOYSA-N 450.568 1.742 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN(C)S(=O)(=O)CC)CC1 1705640286 MEVRAMNKCQONOI-UHFFFAOYSA-N 479.050 1.949 30 10 JDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1705641408 DCPNTCTWUPTQNV-QHCPKHFHSA-N 465.646 1.681 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccncc2Cl)CC1 1705644764 BEAVYTOJUREPQV-QHCPKHFHSA-N 472.977 1.993 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCC2)CC1 1705648507 UCZBPXBKOUOTJD-IBGZPJMESA-N 476.647 1.020 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705694894 UIMXBSXRGXUYES-JZXOWHBKSA-N 460.560 1.530 30 10 JDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)c1ccccc1 1705741029 DMKBPLNMPDGQFE-UHFFFAOYSA-N 481.601 1.111 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN2CCOC[C@H]2C1 1705895747 QQPMFOSQQCOVFA-OAHLLOKOSA-N 479.354 1.670 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)cc2)C1 1705925630 RWAJWUNBGRJSJP-UXHICEINSA-N 477.587 1.449 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1705928675 HAPDFCLEVZHBSM-UGKGYDQZSA-N 473.555 1.060 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](CC)C1 1705936038 IMVPDUWGFYCALC-MSOLQXFVSA-N 499.634 1.803 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCN(Cc2cccs2)CC1 1706888804 AMOPAAJWBVIQMQ-WMZOPIPTSA-N 493.659 1.591 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(CC)ns2)CC1 1722308648 PCCQHECTAIFPGE-HNNXBMFYSA-N 466.637 1.432 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CCNS(=O)(=O)CC)c1 1722310613 XSBSQMYGMXFYSC-UHFFFAOYSA-N 458.588 1.931 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1722357770 AFHCQAFJHDOKIW-HXUWFJFHSA-N 499.641 1.674 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722358977 OIQIUQWHBCVSSJ-ZCNNSNEGSA-N 491.658 1.982 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1722364815 MOOTYIFAXWIKCU-KGLIPLIRSA-N 474.356 1.647 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1722371106 UAORMPJFQSUJTH-GOSISDBHSA-N 469.571 1.452 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCc3cccnc32)CC1 1722431758 NSBCSZBWQWGUPM-HKUYNNGSSA-N 457.604 1.159 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1722437112 PREVJQQJPKVPFJ-HXUWFJFHSA-N 454.550 1.425 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2nnn(C)n2)CC1 1722450042 VBNGCWUNNFGFOO-UHFFFAOYSA-N 463.546 1.012 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1722453869 FHMHPFHDUZJZQR-GOSISDBHSA-N 491.639 1.951 30 10 JDEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722456643 AIHIZZFQRVMACD-UHFFFAOYSA-N 471.978 1.300 30 10 JDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1722620411 MTIDBIAYUOQYHS-UFYCRDLUSA-N 483.635 1.599 30 10 JDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(F)(F)CNC(=O)OC(C)(C)C 1722631680 UEZGZNUQHONPMF-LBPRGKRZSA-N 452.528 1.671 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCOCC1 1722664282 VNVJNXXRRBYEKW-QGZVFWFLSA-N 479.628 1.683 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722699970 RIOZRQHVZKOJHO-CQSZACIVSA-N 453.515 1.463 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)N2CCOCC2)C1 1722712966 ABTVAWZWWMDVJK-HNNXBMFYSA-N 465.352 1.676 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1722725564 NPBOIMFVLASDID-LJQANCHMSA-N 460.535 1.996 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722729949 CEWYYSYHCWSRHW-UHFFFAOYSA-N 459.638 1.083 30 10 JDEE C[C@@H](N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1)C(F)(F)F 1723902542 FXOPBSBHULSIIN-CQSZACIVSA-N 456.494 1.934 30 10 JDEE CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)OC 1727251426 FEFRBOAAHMZZFY-DOTOQJQBSA-N 479.582 1.651 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(=O)N(C)C)c1 1740551976 MJHJUMXKFLZUNO-SJLPKXTDSA-N 459.572 1.153 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1740575839 WFAPLYMGDYSETR-OALUTQOASA-N 478.619 1.006 30 10 JDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1740579217 LOOVRPZNEYOERT-HXUWFJFHSA-N 455.607 1.451 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1740625144 MRRCASCMWFXYEI-LEWJYISDSA-N 490.651 1.771 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1740625665 HGGMHJIBIXXXKR-TZIWHRDSSA-N 471.583 1.806 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(Cl)c1 1740640414 MSKCZANGMDMWQE-IBGZPJMESA-N 477.974 1.394 30 10 JDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)C(C)(C)C 1740658126 HBZOVEUJCSESEN-UHFFFAOYSA-N 461.613 1.946 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCSC2)CC1 1740703010 CWTOXFQTVFJMOJ-PKTZIBPZSA-N 477.631 1.153 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1740717268 NRUYVVFSQDZLBU-RCCFBDPRSA-N 485.676 1.617 30 10 JDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740720667 IHTANYSUYUBKCH-GOSISDBHSA-N 473.628 1.401 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1740875544 FKTBKWVMYNLWLL-DENIHFKCSA-N 479.578 1.814 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1740957317 JOSKGKTVRHKTMJ-HXUWFJFHSA-N 451.531 1.785 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 1740970501 MTJWSMZMYYGJHL-FQEVSTJZSA-N 473.599 1.888 30 10 JDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1741090168 CSIVWTIOADLOKT-VQTJNVASSA-N 470.599 1.994 30 10 JDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1745883357 HCOGVZPYSAUNIB-FQEVSTJZSA-N 492.628 1.818 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1748751126 CNRPBICMHFKXQY-FQEVSTJZSA-N 477.587 1.678 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1748805966 YPPRPAHQBRWETA-WFXMLNOXSA-N 468.645 1.841 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748825282 XKEBCFYOSJPPPK-UGKANONSSA-N 480.631 1.832 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1748962782 QFKHNLJDEVUMIJ-OALUTQOASA-N 471.583 1.319 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(O)cc2)n1 1748970500 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1705565038 RRQXYJULVZGIBS-IRLDBZIGSA-N 485.658 1.240 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCN1CCCO 1705595983 NRCZDJWJAKQQJG-IBGZPJMESA-N 459.554 1.904 30 10 JDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](N1CCOCC1)C(F)(F)F 1705601023 VCAAMZUNDCFQHA-KRWDZBQOSA-N 452.481 1.127 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1705626736 HMBWBQKYZUNOAK-QGZVFWFLSA-N 463.542 1.601 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1705635003 OQVRBHKRSRRLMB-INIZCTEOSA-N 495.447 1.626 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC[C@H]2COCCO2)CC1 1705651314 RTBOLEOMXJVSQZ-QFIPXVFZSA-N 467.570 1.937 30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(=O)N2CCOCC2)CC1 1705764868 QANQDGQQMYFXPJ-UHFFFAOYSA-N 474.587 1.211 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1705859635 CSTJMEILWGBLKP-IBGZPJMESA-N 459.514 1.731 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2ncccc2C#N)CC1 1705899984 MGPFBDNJKNCRIC-UHFFFAOYSA-N 458.526 1.849 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1705905795 HKGJFDPLTKCZHK-IRLDBZIGSA-N 494.644 1.383 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@@H]2C1 1705909054 LJBCULUEPVXTOG-ROUUACIJSA-N 475.594 1.173 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OCC(=O)N(C)C)c2)C1 1705914552 OKWTYIIUPVVXJG-OAQYLSRUSA-N 482.585 1.811 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCNC(C)=O)C1 1705925390 OSLJYAPLCORKLA-OALUTQOASA-N 478.594 1.894 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ncccc2C)C1 1705925739 TUFCMVUOUMXSGZ-HKUYNNGSSA-N 462.576 1.144 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(O)cc2)CC1 1705932128 MLZJGRJXLFEKHP-UHFFFAOYSA-N 457.560 1.312 30 10 JDEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1712882707 FYSUYNADUSIDCP-YPMHNXCESA-N 455.338 1.199 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCC[C@@H]2C)c1 1722310467 WMKSPBXVEKRDJN-RGZWJVDOSA-N 485.610 1.788 30 10 JDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1722321746 KLBHOEBHGADASY-NRFANRHFSA-N 457.623 1.159 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 1722367820 XMVFKWHYFQRGEC-IEBWSBKVSA-N 491.639 1.247 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1722368138 ZUFOKOXGIWKJOF-GCJKJVERSA-N 462.547 1.440 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1722369635 CTNHRYADQHVZDY-AVRDEDQJSA-N 462.547 1.784 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(SC)CCN(C)CC2)CC1 1722432541 ATSWZDSBNYKVJP-HSZRJFAPSA-N 462.664 1.513 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@@H](C)N2CCCCC2)CC1 1722444144 GAAUPMXAMUPKTE-RTBURBONSA-N 493.678 1.119 30 10 JDEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722479836 HNFCUEGHAPSMTI-LBPRGKRZSA-N 483.729 1.793 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc2ccccc2[nH]1 1722698407 FZFNQRWEVFMLOF-IBGZPJMESA-N 487.586 1.031 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1722703969 MLQUXQXXMJXLJN-GAJHUEQPSA-N 478.594 1.726 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(F)(F)C2(OC)CCOCC2)C1 1722717646 CSLYLTROSQASFZ-IAGOWNOFSA-N 490.573 1.792 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cccc(C)c2)C1 1722724332 TZFYJYWUMHPIMH-MJGOQNOKSA-N 481.644 1.791 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(C)C)CC1 1722724653 CGDFCEUSXYETNA-UHFFFAOYSA-N 461.592 1.447 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1722726442 FKVCWWSETCGYJX-FQEVSTJZSA-N 487.626 1.652 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCN2CCC[C@H]2CO)CC1 1722794431 RGCTUUFWKBYARW-QFIPXVFZSA-N 481.601 1.634 30 10 JDEE C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1722871747 CJYYDOYJVOPWEC-QGZVFWFLSA-N 464.574 1.084 30 10 JDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC(C)(C)O1 1726722234 FHZHAJYJERRXGZ-KRWDZBQOSA-N 489.598 1.672 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2cc(C)oc2C)CCO1 1729679729 BQCLZSVEFZMDIA-GBXCKJPGSA-N 464.526 1.886 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@](C)=O)CC1 1740550614 QXALSNPFEWIHDO-PRSFHMQYSA-N 451.593 1.956 30 10 JDEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740621727 OKTFNBIMFDMBRT-GOSISDBHSA-N 482.610 1.932 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740622983 MGUKGYIVEZONHL-NRFANRHFSA-N 479.610 1.884 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1CCCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740625784 SVTPIQXODKAIEP-NRFANRHFSA-N 463.648 1.750 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1cc(COC(C)(C)C)on1)[C@@H]1CCS(=O)(=O)C1 1740628786 UFDYNLXTWIGDBM-QGZVFWFLSA-N 465.576 1.793 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC1(O)CCOCC1 1740630191 GMWIVBYEEANMBI-UHFFFAOYSA-N 471.583 1.200 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCN(CC)CC1 1740656782 MYOYKEIQDNEMTC-UHFFFAOYSA-N 489.672 1.943 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN(C)CC(F)(F)F)CC1 1740699207 YBFPQJRPXAACLO-UHFFFAOYSA-N 452.529 1.779 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(O)CC(OCC)C2)CC1 1740703228 KMUWGWBIPIFMRP-VZTJNBFISA-N 489.617 1.215 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2scnc2C)CC1 1740703407 RHMUBMUXOUGWAI-QHCPKHFHSA-N 472.615 1.904 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C)n(C)c2=O)CC1 1740703540 WPGMZNUQMIALNJ-AREMUKBSSA-N 496.612 1.340 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1740707241 VJVNIUOVSTWBTL-SFHVURJKSA-N 470.599 1.055 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nccs1 1740717212 MNHKQUTUZIBNJL-AWEZNQCLSA-N 456.619 1.070 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCOC(C)C 1740732113 RQSNMYJVOHEIMH-GHTZIAJQSA-N 453.609 1.808 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1740811198 NODSTXUXDXOGNZ-JKSUJKDBSA-N 460.000 1.495 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1740963706 UPGOYSKWTZLEGM-INIZCTEOSA-N 461.567 1.196 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCOCC2)C1 1740982966 ZBSLGWFBIUVXJW-RBUKOAKNSA-N 453.609 1.074 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCC2(CCOCC2)C1 1740985151 CNFMJCODPSMKOA-UHFFFAOYSA-N 474.587 1.923 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC(NC(=O)c3cc(C)on3)CC2)nnc1C(C)(C)C 1740994146 NCNUDROOLYLPSM-UHFFFAOYSA-N 464.592 1.872 30 10 JDEE CC(C)CN1CCO[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)C1 1741571888 DCTGCISGYFITAV-PZJWPPBQSA-N 467.574 1.397 30 10 JDEE CC[C@H]1CCCCN1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1744878158 CSBMOGPASMZDGB-VQTJNVASSA-N 479.651 1.615 30 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C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1760189123 NVYKJQXZLWCWCH-KGLIPLIRSA-N 451.574 1.384 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCOC1CCCC1)[C@H]1CCS(=O)(=O)C1 1760192004 PFPHRFSYAHDSOL-SFHVURJKSA-N 463.604 1.377 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccc(OCC(F)(F)F)nc1)[C@H]1CCS(=O)(=O)C1 1760192058 DIROZGXBLVYXTE-INIZCTEOSA-N 487.504 1.826 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1760192540 JVJKCTJJXHROCR-HSZRJFAPSA-N 460.582 1.592 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC2(CCOCC2)C1 1760234371 VXEZYTFUOZLUFD-SFHVURJKSA-N 451.593 1.277 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC(=O)NCC(F)(F)F)CC1 1760271849 OOLSNBAPUZBLMY-UHFFFAOYSA-N 454.497 1.655 30 10 JDEE C=CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(N)=O)C1)c1ccccc1 1760418411 RWPJBEQISAEWAS-HSALFYBXSA-N 488.614 1.283 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1F 1760464428 HGCCHUUIMVTCGW-MAUKXSAKSA-N 453.540 1.840 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1760522992 IYOWIPYGZXIYBW-UHFFFAOYSA-N 458.567 1.864 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1760526424 NVPDSNKRJRIANL-UHFFFAOYSA-N 490.612 1.642 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1760546950 ZPSYNVSVUDOULI-QGZVFWFLSA-N 452.602 1.651 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1cnccn1 1760554373 BGAWWVFYWTVBAF-IBGZPJMESA-N 456.528 1.818 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCNC(=O)c1ccco1 1761234236 HYLHZOLYOXYQSH-UHFFFAOYSA-N 494.531 1.777 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCC2)CC1 1767214026 HMUMSVWMGNDYOF-UHFFFAOYSA-N 450.591 1.559 30 10 JDEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1767382909 IDPYKGBINFGOKX-HXUWFJFHSA-N 473.603 1.009 30 10 JDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2COCCO2)cc1Br 1768530796 IBSZUWPXSODZAY-HUUCEWRRSA-N 464.320 1.860 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1768659738 HXZWVVFHUJKEPV-UHFFFAOYSA-N 466.567 1.712 30 10 JDEE COc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1Cl 1870155448 NWFIYKZAELVHJV-UHFFFAOYSA-N 481.812 1.944 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CC=C)c(CN3CC(O)C3)cc2=O)nc1C 1870323474 SUHFCKWVSUAJEN-UHFFFAOYSA-N 474.539 1.336 30 10 JDEE C=CCOc1cn(CCCN2CCCC2=O)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870384290 OSUPNYILRXOWQJ-UHFFFAOYSA-N 452.559 1.538 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2255643320 SEPGWMPZZWHLRR-UONOGXRCSA-N 453.370 1.542 30 10 JDEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255833557 FHQVFZJOZGRRQX-UONOGXRCSA-N 452.386 1.790 30 10 JDEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2255836917 HBSUEWUWEWMGNQ-CYBMUJFWSA-N 455.748 1.650 30 10 JDEE CC1(C)OB(c2csnc2C(=O)NCCN2CCN(Cc3ccccc3)CC2)OC1(C)C 2266994856 ZTIPGOXJLOCNDU-UHFFFAOYSA-N 456.421 1.990 30 10 JDEE C[C@H](CN(C)C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267706037 QDWHYXPJGCOSII-CQSZACIVSA-N 472.417 1.595 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CO1 2268724875 PBOJAJUQNQDTBY-OLZOCXBDSA-N 468.385 1.518 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2281953018 FIURIWNWHVGBQV-ILXRZTDVSA-N 461.372 1.490 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)n1 2281956523 ZGECTLNOFFTSBQ-SOUVJXGZSA-N 461.372 1.490 30 10 JDEE CC1(C)OB(c2c[nH]nc2C(=O)NC[C@]23CN(Cc4ccccc4)C[C@H]2CCO3)OC1(C)C 2281984693 DUVYMYSRHNUZPG-KOSHJBKYSA-N 452.364 1.730 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282046803 QASYJCKEZTXMPO-GJZGRUSLSA-N 465.331 1.620 30 10 JDEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282173346 IAMPNOOUTYWVRI-HNNXBMFYSA-N 461.372 1.057 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 2282183561 IILIZICUEXPMBA-PEBXRYMYSA-N 461.372 1.634 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C 2282324178 LSTCCCJLZQCKAS-AWEZNQCLSA-N 485.416 1.182 30 10 JDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282515733 VPKRMWFBFSIFBJ-JOCHJYFZSA-N 482.408 1.776 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CC[C@H]2[C@H](NC(=O)C(F)(F)F)C3)n1 2282555303 QXJDRTYHFVTAFC-YUTCNCBUSA-N 456.274 1.391 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2COC[C@H]21 2282613697 MWEYDBRJUVMEDP-HZPDHXFCSA-N 460.340 1.236 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C2)n1 2282619896 XRZDEVKNRYRROD-CQSZACIVSA-N 463.388 1.880 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[C@H]1CCCN1C(=O)OC(C)(C)C 2282854324 QFWAXIIHYHODOZ-OAHLLOKOSA-N 484.428 1.787 30 10 JDEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2282976119 SKNGRZCEVCJCGG-UHFFFAOYSA-N 462.352 1.793 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2366863196 LUPSWPOUBKPKQQ-OFQRWUPVSA-N 482.412 1.396 30 10 JDEE CC(=O)Nc1ccccc1NC(=O)CSc1nnc(N/N=C/c2cnn(C(C)C)c2)n1N 20921486 QNWUAKSMSKEAPZ-ODCIPOBUSA-N 456.536 1.905 30 10 JDEE Cc1cccc(OC[C@@H](O)Cn2c(N/N=C/c3ccc(F)cc3)nc3c2c(=O)n(C)c(=O)n3C)c1 33614560 YCYGDGYDQRULFH-XIMCHAMWSA-N 480.500 1.767 30 10 JDEE O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2ccccn2)/C1=C(/O)c1ccc2c(c1)OCCO2 102693316 XHSJLCAJOQGOLQ-RKKARLDVSA-N 465.506 1.997 30 10 JDEE COc1ccccc1[C@@H]1/C(=C(/O)c2c(C)nn(C)c2C)C(=O)C(=O)N1CCN1CCOCC1 102754405 OSVHHWVYBXRZIE-SADKCHQCSA-N 454.527 1.799 30 10 JDEE C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccccc2OCC2CC2)c1=O 513042916 VNLAYQPPKWIHLS-UHFFFAOYSA-N 478.618 1.552 30 10 JDEE CCCCN(CC(N)=O)C(=O)[C@H](Cc1ccc(C#N)cc1)NS(=O)(=O)c1ccc(C)cc1 585668962 WCNNHUASCIIJKG-NRFANRHFSA-N 456.568 1.870 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](NC(=O)c2ccc(OC)cc2)c2ccccc2)CC1 589090205 AMVLLAAGLGVETL-HSZRJFAPSA-N 450.539 1.613 30 10 JDEE CS(=O)(=O)CC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NCc1ccc(C#N)cc1F 729846321 XMGIOBPHGARWBG-DBBZSVRUSA-N 479.555 1.707 30 10 JDEE O=C(O)CN(C(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1CCS(=O)(=O)C1 757487686 VRSFWOSEGMYAQU-KRWDZBQOSA-N 496.541 1.629 30 10 JDEE COc1ccc(O)c(C=NNc2nnc(SCC(=O)Nc3cc(OC)ccc3OC)n2N)c1 1084399746 VEPYBFAIKPCSAT-UHFFFAOYSA-N 473.515 1.900 30 10 JDEE C=C(CN(C)C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1 1137710674 OXWFNPBGOBUCFJ-QGZVFWFLSA-N 452.577 1.355 30 10 JDEE CC#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 1164661353 WUJNXAVMHCRJRP-KGLIPLIRSA-N 459.362 1.411 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CCc3ccccc32)C1=O 1278543100 FXLYBCOUHDQFCO-INIZCTEOSA-N 456.499 1.836 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1286349588 KICAUKWLXVMTGW-LJQANCHMSA-N 459.620 1.391 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(Cl)cccc1OC 1286377204 UHBOKUDYUIIPIA-KRWDZBQOSA-N 453.952 1.391 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286391239 DCUKMUTUUCPGFW-RTBURBONSA-N 466.604 1.590 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1286481222 TUKGPLVZRUDHMG-NHCUHLMSSA-N 462.664 1.446 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1286483541 PDALACKTDOZVID-UHFFFAOYSA-N 477.491 1.540 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1286608598 RYEIEECMPNRYBT-PXNSSMCTSA-N 452.581 1.334 30 10 JDEE C=C(C)COCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCS(=O)CC1 1286612193 WNGNGDQWPVKSIN-UHFFFAOYSA-N 472.659 1.804 30 10 JDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286613014 NELLDJGOHRUQMA-UHFFFAOYSA-N 465.624 1.593 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1286628674 DWBLWCWNCMVJQR-HZPDHXFCSA-N 489.042 1.495 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2CCCN2CCCO)c1 1300332908 QOYWOUBKJPVOLW-OAQYLSRUSA-N 474.569 1.638 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1300365484 XXYCIIVUTYIFGE-MSOLQXFVSA-N 475.619 1.812 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1300478780 BEMHXZZBNKQLFX-ROUUACIJSA-N 489.573 1.747 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300488145 OXUXRGVHKKHNDN-FPOVZHCZSA-N 472.615 1.324 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300502797 XRKFZTFOEKLYFI-IEBWSBKVSA-N 463.629 1.278 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccs1)N(C)C 1300538711 UQHOFABPAJCIKR-ZWKOTPCHSA-N 476.628 1.048 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N1CCCC1 1300671699 MQGLVRQBDQSSLT-OALUTQOASA-N 461.588 1.696 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@@]1(N2CCOCC2)CCSC1 1300673458 LBJBAIJVSNSXQH-QHCPKHFHSA-N 456.616 1.558 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2C)CC1 1300712689 VNLUPRRRWHHZQQ-QGZVFWFLSA-N 458.588 1.211 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1300719684 LRSSHTCWNDGSHT-LJQANCHMSA-N 456.572 1.273 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1300991493 NIBIISRREBJZGU-FQEVSTJZSA-N 485.564 1.722 30 10 JDEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@H](C(=O)NC)C1 1301176395 YQVYALRLQDAILD-KRWDZBQOSA-N 475.619 1.854 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1301576062 QUMANSRMGPCQLC-RTBURBONSA-N 494.639 1.812 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1Cc2ccoc2CC(C)(C)C1 1301588589 HXSLVFPRSIGBQQ-KRWDZBQOSA-N 482.628 1.963 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCO[C@@]4(CCSC4)C3)CC2)cc1 1312255130 AYMQHEFREXHCAG-PXNSSMCTSA-N 450.586 1.629 30 10 JDEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1314022928 FYLLUSXNJFNKNG-QHCPKHFHSA-N 469.546 1.074 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H]2NC(=O)CC2(C)C)c1 1358902595 SXNUEOMVDWIOAY-IEBWSBKVSA-N 450.543 1.753 30 10 JDEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1358929734 HAWIDGFMHZXFGA-FQEVSTJZSA-N 466.542 1.377 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(C)n(C)c1=O)[C@H]1CCS(=O)(=O)C1 1358962874 YPGXKQXXNPZBAQ-RBUKOAKNSA-N 459.572 1.202 30 10 JDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1ccc(C)c(F)c1 1358970151 GYGSZRIYQHIGJJ-XMMPIXPASA-N 453.518 1.881 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1F 1358979716 VHMHFVJDIQQUES-SFHVURJKSA-N 463.510 1.205 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(N(C)C)CCOCC2)CC1 1359031482 DJEGDXYVFPLDBZ-UHFFFAOYSA-N 486.642 1.215 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCCO[C@@H](C)C2)CC1 1359038030 HYTMWDNYSAFJEC-QFIPXVFZSA-N 454.623 1.396 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOc2ccccc2C)CC1 1359041485 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RRFNTXCOIBSYFH-SFHVURJKSA-N 451.593 1.564 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1507623752 WRQQCLXXWJAGCT-ILZDJORESA-N 478.546 1.599 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(N)=O)CCOCC1 1507662011 CQWOISKDAQLRSZ-UHFFFAOYSA-N 469.567 1.094 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCOC1=O 1507670694 AITIVHFQRFGRHR-LJQANCHMSA-N 486.573 1.892 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CCN(C)C1 1507705725 GGBUOVXEKXKSGW-FQEVSTJZSA-N 466.355 1.999 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)c(OC)c2)CC1 1507731691 ONZQEJSCAMVNNJ-KRWDZBQOSA-N 463.991 1.646 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507798331 HDONROJDDCCJQM-CTNGQTDRSA-N 481.601 1.803 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1507837043 HHDRITDGZCNJQA-HRAATJIYSA-N 467.567 1.718 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1507935292 PBIOFYOSZJUQAD-OAGGEKHMSA-N 455.537 1.081 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(C(=O)OC)CC1 1508038775 KBHAOQJZCYXIFP-KRWDZBQOSA-N 455.581 1.297 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1508071165 HZLAWFUGFXCCMR-UHFFFAOYSA-N 455.563 1.192 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1508073081 VEZZZLAYEHSMKI-UHFFFAOYSA-N 453.591 1.819 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1508093007 SYDZWVCFVNSAJI-LJQANCHMSA-N 490.605 1.334 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1508109485 SJGZSFFPQQWYEK-VQTJNVASSA-N 473.622 1.238 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCS(=O)(=O)N(C)C)C1 1508116851 SDSJRMJMGBJZDJ-HNNXBMFYSA-N 487.424 1.719 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1508143085 JBVXGWXCDFQEEJ-HOTGVXAUSA-N 476.525 1.897 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1CCCN1CCOCC1 1512365170 GULOXELELPLLBO-IBGZPJMESA-N 467.622 1.966 30 10 JDEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1513240836 FHPJEWDCCCEPSA-AABGKKOBSA-N 458.588 1.973 30 10 JDEE CN(C)[C@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)CCSC1 1516995721 AMVBBOHNXYQZMS-VDGAXYAQSA-N 452.650 1.748 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1539124411 FTIVNFBFQNTPJG-SJORKVTESA-N 463.564 1.100 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(=O)Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1539222884 XYGBJZVKGPNVFP-VQIMIIECSA-N 475.546 1.577 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1539225539 ONGMZXDVENFPQD-WMZHIEFXSA-N 460.600 1.911 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CCCCC1 1539369971 QQODPMBLDYYWFE-WIYYLYMNSA-N 453.609 1.402 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)NC2CCCCC2)CC1 1539459541 JCEGXPHJFXZMRR-UHFFFAOYSA-N 452.607 1.734 30 10 JDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539700314 XOAPHBNKFCAAMB-UHFFFAOYSA-N 464.574 1.415 30 10 JDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(CNS(C)(=O)=O)CC1 1539799481 PLUBIFXFDFTJJD-UHFFFAOYSA-N 456.956 1.524 30 10 JDEE C=C(Cl)Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539821831 YGRKUMVQRQPAGH-UHFFFAOYSA-N 464.929 1.922 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)C 1540135977 DXEGCHWTSBFAPI-YLJYHZDGSA-N 480.610 1.893 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)nc1 1540169225 AARZRZYBGJGYBS-GOSISDBHSA-N 461.592 1.299 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1540858057 FIAQWFHMRUULRH-ZDUSSCGKSA-N 463.486 1.186 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1540864607 FWJYGSXXQXJNGQ-UHFFFAOYSA-N 467.574 1.000 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1540870714 UXOBAZRQBIVIBP-KRWDZBQOSA-N 456.551 1.256 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1540872522 RQUFKMNVYBDEBM-XMMPIXPASA-N 455.559 1.954 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1540875660 TWSBJLPGYAWMKE-RTBURBONSA-N 470.574 1.325 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1540898225 DLFSEMQHFCJIAJ-HKUYNNGSSA-N 493.655 1.622 30 10 JDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2OC)CCO1 1555404295 FNXCYSYSXPOXIN-GIVPXCGWSA-N 457.531 1.632 30 10 JDEE C#CCC[C@H](O)CNC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1556349316 VSZKIWBTKGPTTH-AWEZNQCLSA-N 456.337 1.640 30 10 JDEE C=CC[C@@H]1CCCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1557407789 QYLYZGIYEHPRRW-WBVHZDCISA-N 451.545 1.185 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(C)C)cc1 1587638122 BULNMFZMBILVNA-YLJYHZDGSA-N 461.588 1.904 30 10 JDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1587765478 HBBGOJGLVQYIKS-HXUWFJFHSA-N 486.646 1.774 30 10 JDEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1587808463 SAGMBZSQWHZOMQ-IBGZPJMESA-N 498.559 1.478 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588034350 DNUJDDKTBQCDLW-FDDCHVKYSA-N 495.646 1.250 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN(CC)CCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588050349 RPNUXXYORHTWON-QGZVFWFLSA-N 487.552 1.580 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588053556 FSJPPFCOHSJHBZ-IYWMVGAKSA-N 479.647 1.297 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cc(COC(C)(C)C)on1)[C@H]1CCS(=O)(=O)C1 1588055254 UKYQHDMORFFYAH-AEFFLSMTSA-N 477.587 1.760 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1588070324 YSECWHAYABMHLL-SJORKVTESA-N 477.612 1.323 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)CC1 1588199500 RHAJOJRCGHKZFG-GOSISDBHSA-N 454.980 1.096 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1CCC(=O)N1CCOCC1 1588473884 XVAVRQHLQYPMPX-VWLOTQADSA-N 485.560 1.958 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(O)CCCC2(C)C)n1 1588724310 XBQFKKFEKXZJEP-NTKDMRAZSA-N 469.590 1.653 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@H]2CCOc3ccccc32)CC1 1588741706 HCMMTDVQHGYVJB-OALUTQOASA-N 472.615 1.600 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(NS(C)(=O)=O)CC1 1589481856 CXERBIYEEUCABH-LPHOPBHVSA-N 482.651 1.696 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)(F)F 1593747259 SWIKVUOCUPZALN-AWEZNQCLSA-N 455.503 1.592 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC2(CCOCC2)C1 1595219234 SPSOXFAOVABTLR-IBGZPJMESA-N 465.620 1.996 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1595544155 FSAOHGGQADBENG-KRWDZBQOSA-N 470.578 1.744 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1595812075 MOWCSGZNJCEPJO-DENIHFKCSA-N 492.690 1.600 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nccnc2C)CC1 1615937643 BVNWSWSQUDJQCG-UHFFFAOYSA-N 459.558 1.416 30 10 JDEE N#CC1(c2ccccn2)CCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 1626137239 HHAQDMUVQLRYCG-INIZCTEOSA-N 453.524 1.166 30 10 JDEE COC(=O)Cc1cc(OC)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1667780969 GTQDDKOLQQRSDJ-HNNXBMFYSA-N 453.517 1.544 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(Cl)cccc1OC 1689852137 AYSODAOYYQNXNW-KBXCAEBGSA-N 467.979 1.779 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1689929989 IVJSOWRKOZMAAU-RBUKOAKNSA-N 480.635 1.013 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1689978498 WTYPFLIWLBPFBL-SFHVURJKSA-N 459.572 1.490 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1689982398 MJMQLYRQMBDNON-MRXNPFEDSA-N 478.571 1.369 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCC(=O)NCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689994105 RECALOSXKUZMER-JOCHJYFZSA-N 492.605 1.597 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1690095386 PGUJTIVLMICYPP-HSZRJFAPSA-N 469.567 1.437 30 10 JDEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCN(CC)C1 1690095506 SCUSANFEMRGAIT-IBGZPJMESA-N 473.647 1.974 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N1CCOCC1 1690103474 DHKDTIXSAHUTKB-FGZHOGPDSA-N 487.626 1.340 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCn2cc(C)cn2)CC1 1690114777 HFBNNDHZWHFEQN-UHFFFAOYSA-N 465.558 1.931 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCN(C)CCOC)CC1 1690114857 JFPSNCFQCUYFRR-UHFFFAOYSA-N 464.412 1.759 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cc(C)on2)CC1 1690124519 NKBAUFAYOBTOTM-LJQANCHMSA-N 471.562 1.686 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1 1690603885 KGGAMHHLMRPFDO-OAQYLSRUSA-N 485.614 1.628 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690660840 PEVLZWYSSAATNB-IBGZPJMESA-N 499.591 1.604 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1690669108 USBMIAKKIGZOBN-UHFFFAOYSA-N 482.976 1.987 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCS(=O)(=O)CC)C1 1690700173 OJNLIIBEYYYVEN-ZWKOTPCHSA-N 499.634 1.803 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690720695 QHJCEDATWTZVQE-UHFFFAOYSA-N 492.627 1.326 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1noc2c1CCCC2 1691003249 FDBVGVHDNNHGFU-KSSFIOAISA-N 463.564 1.122 30 10 JDEE CCCCN(C)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1695200599 GLODJBYBDGQORZ-UHFFFAOYSA-N 470.626 1.388 30 10 JDEE Cn1cc(-c2nnc(N3CCCN(Cc4ccc(C#N)cc4)CC3)n2CCS(C)(=O)=O)cn1 1696853191 GJFWSBXLCVZFEE-UHFFFAOYSA-N 468.587 1.307 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(=O)NCC(F)(F)F)C1 1698483653 HPRUXEJFMFHCAJ-SFHVURJKSA-N 464.383 1.714 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2CCN2CCCS2(=O)=O)c1 1705504054 LUINOKSXYLHBTR-KRWDZBQOSA-N 458.588 1.883 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1705561647 RZNCNWPELSNJCN-SXLOBPIMSA-N 489.554 1.532 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCCNC(=O)c1occc1C)[C@@H]1CCS(=O)(=O)C1 1705569323 BVDKPSNVNMDHAI-GOSISDBHSA-N 461.588 1.825 30 10 JDEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(=O)NCC)CC1 1705725348 VYMVOMTXZBFNMD-UHFFFAOYSA-N 453.595 1.286 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705877681 MLCLMGNLQVTDDL-JKSBSHDWSA-N 481.619 1.777 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ncccc2C)C1 1705925742 TUFCMVUOUMXSGZ-PKOBYXMFSA-N 462.576 1.144 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2C2(CCC2)C1 1705930378 LVRONWBQRKYLJK-KRWDZBQOSA-N 493.655 1.931 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C)C1 1705934073 AKXWKLBXSDASSQ-KRWDZBQOSA-N 486.598 1.891 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@@H]2C)CC1 1706650309 HARIFBODWJNGKP-FQEVSTJZSA-N 480.617 1.184 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722364215 JXTGBJVILNWPGU-REWPJTCUSA-N 480.631 1.764 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1722368600 TYLFKGQXNISKMW-UXHICEINSA-N 471.583 1.207 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1722370609 DBTPCMZJNFEPNB-LEWJYISDSA-N 490.674 1.395 30 10 JDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1722417118 VOOMIKJSMYHWBG-UHFFFAOYSA-N 483.598 1.984 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1722446042 KQXYFZGTCNGVAJ-FQEVSTJZSA-N 466.590 1.058 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1722510113 ZZXGWQYPZACEHV-JQVVWYNYSA-N 468.606 1.753 30 10 JDEE C=C(C)Cn1c(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722553429 RFQJVNUEILGEHC-UGKGYDQZSA-N 483.635 1.526 30 10 JDEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)[C@@H](C)C1)c1ccccc1 1722595010 SEMWXFLCNXZLBP-YQVWRLOYSA-N 460.604 1.915 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1722692173 GQNUONPBOIMRGF-UHFFFAOYSA-N 467.574 1.754 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1722692510 ONCFGCZRCBGULI-LJQANCHMSA-N 480.573 1.490 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2[C@H]1C 1722723636 BCJBOYPGGCQWED-LSDHHAIUSA-N 453.590 1.570 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1722725361 KOAIPSDVSWVIRE-OAQYLSRUSA-N 461.544 1.585 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722730468 SYEZSMQPYYIOQC-IBGZPJMESA-N 466.629 1.678 30 10 JDEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCS(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1740618228 FIQJBPWREUUBMR-KRWDZBQOSA-N 491.595 1.209 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740619951 NCQWDZNFSAWXHH-HNNXBMFYSA-N 469.489 1.559 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCN1CCCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740625373 NMGNSQFQLBFFFG-IFMALSPDSA-N 486.642 1.392 30 10 JDEE C#CCN(c1nnc(CC)n1Cc1ccc(OCCN2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 1740627189 ZBBFXLNFFPLCBO-NRFANRHFSA-N 471.627 1.990 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cnc2c(Cl)cnn2c1 1740671726 NFHUZWHXBAYUGM-KRWDZBQOSA-N 492.993 1.009 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](OC)c2ccccc2)CC1 1740700936 OACDOXJQHRFICP-FQEVSTJZSA-N 452.559 1.770 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2cn[nH]c2)CC1 1740703475 USQVMNGOTXNPFY-QHCPKHFHSA-N 455.563 1.250 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1740705843 NFLUXMBRCSZOEG-IRFCIJBXSA-N 458.607 1.247 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1740751250 ZWDGXXOXNVGNDH-PZJWPPBQSA-N 481.601 1.823 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CC)C1 1740762923 XCVYESJMWXBUGL-MKXGPGLRSA-N 469.608 1.207 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1740843626 MKIIPFHORKGUID-IAGOWNOFSA-N 487.634 1.867 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)c3ccccc3O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740964728 HHMIJXMVGUQIBS-VWLOTQADSA-N 498.584 1.289 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1740992863 OOXZIJJQYUCVPY-SFHVURJKSA-N 460.604 1.558 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2nccnc2C)CC1 1746516854 HSUKKQCLCLSPRJ-UHFFFAOYSA-N 489.584 1.328 30 10 JDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCOC[C@@H]2C1 1748702891 DDYKFTSYIYTQRV-FQEVSTJZSA-N 472.615 1.520 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749139165 BUOGIMGDKNNIDO-IHFIDZABSA-N 497.662 1.770 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749142354 YGQKILRZFYHCLG-SSTJLMRISA-N 497.662 1.749 30 10 JDEE C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCOC)CC1)c1ccccc1 1749244415 MXBANUXHCYDPGU-FQEVSTJZSA-N 452.559 1.922 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1749401695 CJSLASWQFVGQQH-FHWLQOOXSA-N 453.609 1.830 30 10 JDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749450387 DZQFHZIUJRFZIN-UHFFFAOYSA-N 468.518 1.039 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1OCCC1(C)C 1749600124 QSSUYKBTWRMZBO-IRXDYDNUSA-N 457.597 1.065 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749653250 ZJPGVPYFOPXFPO-FOIQADDNSA-N 499.547 1.626 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1749756084 RQUUFENKLFOULP-RBSFLKMASA-N 450.652 1.357 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1760187248 UKEFPNMXFBKGHR-ROUUACIJSA-N 472.633 1.012 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760192383 UCMIKMSENUOCNH-RTWAWAEBSA-N 487.626 1.247 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)C(=O)NCC2 1760209087 UUSISMNAFZZFRY-UHFFFAOYSA-N 453.506 1.723 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCNS(C)(=O)=O 1760232316 AGPNLEDBQVBMFW-UHFFFAOYSA-N 457.560 1.074 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(N(C)C)CCCC2)CC1 1760265023 LIDCMLMQDDRVGH-UHFFFAOYSA-N 478.601 1.766 30 10 JDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCNS(=O)(=O)Cc2ccon2)CC1 1760394013 UWPZWUPQCARXBG-WMZOPIPTSA-N 466.564 1.266 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@]2(CCOC2)C1 1760517448 MPIXCYBBVZUHKE-HSZRJFAPSA-N 473.530 1.269 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCc2c(ccnc2O)C1 1760517660 UOOBLYLGNQOHCH-UHFFFAOYSA-N 450.499 1.928 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(CC)C(=O)C1 1760554698 KKKFMKOUWKOVBD-LJQANCHMSA-N 475.571 1.450 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](N3CCCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1760558423 ONAVGQXOKAPPOK-DENIHFKCSA-N 467.636 1.596 30 10 JDEE COc1ccc(CCc2nnc(N(C)[C@H](C)CC#N)n2CCN2CCN(C(C)=O)CC2)cc1 1768558445 DPRWVQQBARKDRA-LJQANCHMSA-N 453.591 1.974 30 10 JDEE C=CCN(CC=C)c1nc(NC(=O)CCN2C(=O)c3ccccc3C2=O)n([C@H]2CCS(=O)(=O)C2)n1 1870002809 VUFUHWQEETZYCW-INIZCTEOSA-N 498.565 1.441 30 10 JDEE CC(C)N1C(=O)CS[C@@H](C(=O)NCc2ccnc(N3CCOCC3)n2)[C@H]1c1ccc(C#N)cc1 1889422826 VMTRQAKGXITQTB-FGZHOGPDSA-N 480.594 1.895 30 10 JDEE CCn1cc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c(=O)c2ccc(C)nc21 1890351492 AUQZYFYXKVXDMU-UHFFFAOYSA-N 465.598 1.597 30 10 JDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)Cn3cnc(-c4ccccc4)cc3=O)CC2)CC1 1890504303 GQOKILZDOAXWHN-UHFFFAOYSA-N 491.636 1.947 30 10 JDEE Cc1cccc(-n2ncc3c(=O)n4c(nc32)S[C@@H](CC(=O)NCC#CCN2CCOCC2)C4)c1 1891151305 PLJIPQFKXJODMF-IBGZPJMESA-N 478.578 1.207 30 10 JDEE COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4ncccc4C#N)CC3)OCC(=O)N2C(C)C)cc1 1892130307 WVYNOOKHVGZCTC-GOTSBHOMSA-N 463.538 1.988 30 10 JDEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1 2201822907 IVXVMELWOJFWPB-SBUREZEXSA-N 466.384 1.899 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Oc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2224131285 PWKGKNICZZDMQV-CABCVRRESA-N 454.354 1.450 30 10 JDEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2255658879 KLRHCYQOAARSPY-UHFFFAOYSA-N 453.370 1.402 30 10 JDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)N=c1nc(B3OC(C)(C)C(C)(C)O3)[nH]s1)C2 2256627073 RFQLJARLLGAXDK-AVGNSLFASA-N 450.370 1.986 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@@H](C(=O)O)C1 2267186493 KPECNOXEWPRPMC-CQSZACIVSA-N 450.297 1.725 30 10 JDEE Cn1cc(C(=O)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267186992 RMDXMVXQCHZJPF-CQSZACIVSA-N 450.345 1.085 30 10 JDEE CC(C)N(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267464486 IHTWPPQLPROKAE-UHFFFAOYSA-N 472.417 1.643 30 10 JDEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267715374 WPFWAVXVTJMFPN-OAHLLOKOSA-N 472.417 1.547 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267717036 WTDNMIAQZGHAAU-AWEZNQCLSA-N 470.401 1.349 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(CCCC(=O)O)Cc1ccccc1 2269036084 IYJZZKMANILUTB-UHFFFAOYSA-N 463.365 1.775 30 10 JDEE Cn1ncc(C(=O)N2CCCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281817211 ITLABWDACOBFNV-HNNXBMFYSA-N 464.372 1.475 30 10 JDEE COc1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2281988085 HIAOKJZKPUBZTR-DLBZAZTESA-N 462.352 1.704 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](CCNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)O1 2281989090 VGANNKSLQXMKLP-LSDHHAIUSA-N 464.372 1.853 30 10 JDEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282346397 NSIOPWAGWMCWQT-TZMCWYRMSA-N 477.314 1.601 30 10 JDEE Cc1c(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593662 UCDRSYVYFYYLLU-STQMWFEESA-N 456.274 1.405 30 10 JDEE C[C@@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282865748 YHWNVWOLNFHFJT-AWEZNQCLSA-N 484.428 1.595 30 10 JDEE C[C@H](NC(=O)OC(C)(C)C)c1nc(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2283060772 JULFOTIHEKPTKG-NSHDSACASA-N 459.316 1.732 30 10 JDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2283946487 OETNQEVPGMKVSC-HOCLYGCPSA-N 462.356 1.905 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](C(=O)O)[C@@H](C)OCc1ccccc1 2284436931 KERPLFAAKAMAIM-QAPCUYQASA-N 457.336 1.991 30 10 JDEE CN(C)CCCN1C(=O)C(=O)C(=C(O)c2ccc3c(c2)OCCO3)[C@@]12C(=O)N(C)c1ccccc12 2296340291 GJGRJXGTYBVKML-SANMLTNESA-N 477.517 1.962 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2315644110 PUSNHJOIZWDYSK-ZIAGYGMSSA-N 453.370 1.542 30 10 JDEE CC(C)OC[C@H](O)Cn1c(NN=Cc2ccc(C(C)C)cc2)nc2c1c(=O)n(C)c(=O)n2C 2328610595 SOEDHMQSCQARNR-GOSISDBHSA-N 456.547 1.789 30 10 JDEE COc1cc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc(Cl)c1O 2329013077 QPOVMKXRXBQYPW-LBPRGKRZSA-N 466.951 1.830 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2334265236 XMIFXNDIATVEED-ZNMIVQPWSA-N 468.381 1.118 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)CC1 32826489 NXINSQOOFFZECI-UHFFFAOYSA-N 484.578 1.750 30 10 JDEE C=CCn1c(=O)n(CC=C)c(=O)n(CCCOc2cccc(I)c2)c1=O 513275827 KMWCFHJOBGJKEC-UHFFFAOYSA-N 469.279 1.617 30 10 JDEE COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 744990456 HYBIZCHKLHNDJL-AOMKIAJQSA-N 470.507 1.364 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1-c1cccc(C)c1C 838887323 XMGGQIQFWURWDX-UHFFFAOYSA-N 482.569 1.902 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)C(=O)C2(NS(=O)(=O)c3c(C)noc3C)CCCC2)c1 1136310329 FXZIEXAVOWLKTF-UHFFFAOYSA-N 458.540 1.961 30 10 JDEE C#Cc1ccc(S(=O)(=O)NCCc2ccc(OCCN3CCN(C(C)=O)CC3)cc2)cc1 1186450375 UEHVDMALQSOIAL-UHFFFAOYSA-N 455.580 1.732 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)CCOC)c1 1286309497 LEEPWQIGSKDAHA-WZONZLPQSA-N 454.531 1.073 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1286387500 FSAHZCUCSPWDIH-OAHLLOKOSA-N 464.979 1.392 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1286394557 WCLFNMRTBQCMQS-JOCHJYFZSA-N 478.578 1.897 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccccc1 1286432095 XFZVXBALZFLPIL-NHCUHLMSSA-N 471.583 1.462 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1cc(Br)cn1 1286447579 MIKKXTMOPSIFEM-AWEZNQCLSA-N 455.382 1.689 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC(C)C 1286465984 CSXUVGOIPPNIPA-GOSISDBHSA-N 478.594 1.587 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCNC(=O)OC(C)(C)C)CC1 1286473378 RQBNHBPIBLPSND-HSZRJFAPSA-N 462.595 1.599 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CC(=O)NC(C)C)CC1 1286479058 JBSJRLIZCPOIBW-UHFFFAOYSA-N 476.585 1.516 30 10 JDEE C#CCSCCn1c(N2CCC(OCC(N)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286511983 GSMDXTJGDDOGQN-CALCHBBNSA-N 492.646 1.886 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCCN(C)S(=O)(=O)CC 1286529867 BYCYEMCHBYIARQ-BBTUJRGHSA-N 453.609 1.666 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(C)(C)C1 1286556082 NFOXIUGIAMAPLH-KURKYZTESA-N 485.676 1.924 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1286621003 XULDBHOLZDMFCA-NSHDSACASA-N 462.901 1.663 30 10 JDEE C=C(Cl)Cn1c(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1286634965 GEYUDRZMBRDBAA-YLJYHZDGSA-N 490.026 1.314 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1286789066 OIGFDDMOVYBDJL-OAQYLSRUSA-N 469.609 1.915 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(NC(N)=O)cc2)C1 1286810040 MYEDHEGOUPBCEL-SJLPKXTDSA-N 460.560 1.500 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2ncc(C)s2)CC1 1286819537 NJKJVCPEWHCRTA-MRXNPFEDSA-N 464.617 1.979 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](N3CCCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286824421 CRQUDGYTKFWDKB-REWPJTCUSA-N 481.663 1.984 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C 1286825906 ZMBGYQOILRVKOQ-GVDBMIGSSA-N 453.609 1.464 30 10 JDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1286835225 TWQCJCRXSROOHJ-TZIWHRDSSA-N 489.690 1.699 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCNS(=O)(=O)Cc1ccon1 1300298650 FPTIPEQASOATPA-QGZVFWFLSA-N 480.554 1.696 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCCN1CCCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300487885 NBTSXCAMMHYHPS-PMACEKPBSA-N 474.631 1.411 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1c(F)cc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1300488965 YARRQXHFHIHTNF-ZDUSSCGKSA-N 482.463 1.910 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300495384 GWVGYFGPAXMYCH-PLMTUMEDSA-N 498.527 1.859 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300495993 MLHSJGKYKMKEKV-PMACEKPBSA-N 465.620 1.259 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1300504003 IBFUJJDKCDHTFU-PMACEKPBSA-N 469.567 1.782 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300515983 GLZBUPXFSZNBHI-IBGZPJMESA-N 463.357 1.330 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(Cc2ccccc2)c1 1300555961 ARUNCYYILMILHE-LJQANCHMSA-N 465.583 1.644 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)COCC2 1300630763 FHKFPACBETZFGX-HXUWFJFHSA-N 459.572 1.192 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N2CCC(C)CC2)CC1 1300710448 BBAOBYMKGJIXPO-LJQANCHMSA-N 457.623 1.503 30 10 JDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)CC1 1300823355 DMPRVCGUFIDHJD-UHFFFAOYSA-N 450.341 1.602 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1300871758 CVMAHVQHIWNKNO-HZMVEIRTSA-N 494.584 1.942 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1300951973 CBWIGJWKSVJZOV-SFHVURJKSA-N 466.608 1.168 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)C(C)C)CC1 1301223258 QARBEBSDXKOISQ-SFHVURJKSA-N 468.624 1.318 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1301593849 VOMSBOCZOIFTIG-INIZCTEOSA-N 463.560 1.133 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1301594441 CHFJHONJMGKAJA-HNNXBMFYSA-N 450.590 1.858 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCS(=O)(=O)C1 1301956190 GCFPVOBFOMJYQZ-LSDHHAIUSA-N 451.574 1.379 30 10 JDEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1302504530 BSNXUHZUVBUHJH-HKUYNNGSSA-N 460.560 1.283 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCN(C[C@@H]4CCCO4)CC3)n2CC(=O)NCC(F)F)cc1 1302993858 GWFPDKYFLRRTOB-IBGZPJMESA-N 489.527 1.411 30 10 JDEE N#Cc1ccc(OCc2cccc(C(=O)N3CCN([C@H]4CS(=O)(=O)C[C@H]4O)CC3)c2)cc1 1306450613 CGVKJIGHRBQPLW-FCHUYYIVSA-N 455.536 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C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ncccc2N(C)C)CC1 1690411223 IEKQJBKAGCQULO-FQEVSTJZSA-N 475.619 1.523 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690662186 UDHDTMGTGBKGMJ-AWEZNQCLSA-N 452.968 1.371 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1690668701 FTWJJPCIVYDZAL-UHFFFAOYSA-N 451.491 1.216 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1690669318 ANOFFAQJGFJGCB-OAHLLOKOSA-N 461.567 1.415 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1690675315 WOTFBWCTAMBGRV-UHFFFAOYSA-N 466.521 1.458 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1698487240 FNLPBKUAAQEQOK-FXAWDEMLSA-N 499.515 1.914 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1705563081 QNLLOHATCVGCEW-ROUUACIJSA-N 476.555 1.004 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1705566179 LXDXZXFUKJLPLQ-PMACEKPBSA-N 470.599 1.534 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705571702 GLCVHCKKSPQWNY-BURNTYAHSA-N 479.647 1.503 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(CC(C)C)C1 1705582434 AZHMTDMOOCUOSN-SFTDATJTSA-N 476.647 1.052 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc(-c2ccccc2)n1 1705598227 FDOBXVFHBUOYQB-OAQYLSRUSA-N 494.577 1.777 30 10 JDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705603260 PYOVMLZUUJYGOS-GOSISDBHSA-N 452.563 1.328 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@H](C)COC)CC1 1705648616 ZRRWEMGEWMJKGC-SFHVURJKSA-N 491.596 1.923 30 10 JDEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705657369 CKWPRSQYYHETQB-UHFFFAOYSA-N 482.610 1.127 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1C 1705674359 GYEOCHFNNHDYAE-NZQKXSOJSA-N 473.599 1.991 30 10 JDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 1705736500 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C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(C)(C)C)nc1 1722413347 LLFZKTMGLVSDIP-SFHVURJKSA-N 476.603 1.691 30 10 JDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)N1CCSCC1 1722432397 RWVIPBUSGDALNY-UHFFFAOYSA-N 487.611 1.432 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCS(=O)(=O)NC)CC1 1722432500 AISVJJBFDRJFQM-UHFFFAOYSA-N 467.393 1.012 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC(=O)NCC(F)(F)F)CC1 1722433087 LERPTYRMDHJNOY-UHFFFAOYSA-N 496.490 1.405 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN(C)C2CCCC2)CC1 1722443932 QKTUNNGVPMYZIX-VWLOTQADSA-N 472.634 1.770 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1722462586 WZZWSZCDWMNXMC-OTWHNJEPSA-N 497.687 1.761 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)CC 1722475344 TVKDUBPWOGLGOL-JOCHJYFZSA-N 457.604 1.879 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1F 1722537167 LRGPLXRRXRTDFG-LJQANCHMSA-N 467.567 1.979 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1722691159 OSANVXHKWKMWIU-FUHWJXTLSA-N 490.992 1.942 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1722700298 DPRAAHIURMGNAB-AWEZNQCLSA-N 451.453 1.071 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1722705143 ALZYKFJBRIXBFC-LJQANCHMSA-N 455.494 1.610 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)C1 1722753577 DRSHAAZZXMILIW-LJQANCHMSA-N 463.546 1.295 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCS(=O)(=O)C2)c1 1740561794 BVENEMPDFQAIEV-RTBURBONSA-N 471.583 1.663 30 10 JDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1740580119 XOTAKKVYXPDFGR-ZCNNSNEGSA-N 465.620 1.810 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740616062 RKFDQLQLORCLEE-QZTJIDSGSA-N 497.581 1.448 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1740617622 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VKWKSOOSRPUDDC-KRWDZBQOSA-N 461.364 1.531 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1740954954 UIOQOMFYRQCXCQ-GOSISDBHSA-N 467.530 1.898 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)Cc1cnccn1 1740959127 LBSRTMCBWBWLHC-UHFFFAOYSA-N 473.541 1.794 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740990229 MVAAVUSWBFUHJR-SFHVURJKSA-N 483.598 1.789 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1740990633 XYLAMUOYVZPLIV-JOCHJYFZSA-N 469.571 1.433 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1740992247 NISJABOHTSQDBC-ZACQAIPSSA-N 474.649 1.421 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C2CC2)N(C)C)CC1 1741703672 DFIBUVFPXXONHX-QFIPXVFZSA-N 464.618 1.804 30 10 JDEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccn(C)n2)CC1 1743905833 FCQBJXVMIPGHQO-LJQANCHMSA-N 475.601 1.830 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1748672551 VBUDYTUARMFDRD-SJLPKXTDSA-N 461.563 1.662 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC(F)F)cc2)CC1 1748989903 RLRNNTDXBHSZPT-QGZVFWFLSA-N 465.526 1.585 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H](C)N(C)C)CC1 1749003202 AWUXSFIICBEPPB-QGZVFWFLSA-N 484.601 1.887 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2cccc(C(=O)NC)c2)CC1 1749008921 DDQBXMONCFLDHA-QFIPXVFZSA-N 478.597 1.740 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccnc2OCCOC)CC1 1749009943 MZQZDRLMEZKNRH-NRFANRHFSA-N 482.585 1.606 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cccn(CC)c2=O)CC1 1749016982 RQRGSURWCILRRY-UHFFFAOYSA-N 459.554 1.460 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCS(C)(=O)=O)CC1 1749018626 BFTPVRKECIHNFM-UHFFFAOYSA-N 473.599 1.484 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1749038354 KBVARJRBOFMURL-JXFKEZNVSA-N 454.618 1.321 30 10 JDEE 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451.575 1.934 30 10 JDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1301497070 NDRULQNFZOGNOR-QGZVFWFLSA-N 485.614 1.836 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)O[C@@H](C)C1 1301509927 QJZUKGOMEWSYPO-SFTDATJTSA-N 467.618 1.559 30 10 JDEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCN(S(C)(=O)=O)CC2)cc1 1301519184 RQVXCVMXVGJWDV-UHFFFAOYSA-N 455.544 1.430 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccn2)CC1 1301611148 HKAUEVWLRKPCSB-SFHVURJKSA-N 493.659 1.252 30 10 JDEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2F)CC1 1302468008 BFBWACUBSDYVBP-UHFFFAOYSA-N 485.545 1.634 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCOC2=O)cc1 1358890606 RXNORVNWTQCUBF-QFBILLFUSA-N 488.570 1.074 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CCN(CCN(C)C)CC1 1358976275 XTCZGDKJPOXMHA-UHFFFAOYSA-N 496.685 1.585 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1359024895 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C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1F 1507690071 PFWBSALKQODITN-SFHVURJKSA-N 451.524 1.267 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(OC)CCOC2)CC1 1507735644 DIPZQKAHGBSBLM-RPWUZVMVSA-N 475.590 1.090 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN(C)S(=O)(=O)CC 1507762323 XZOIODKDJXCOCY-YADHBBJMSA-N 467.636 1.982 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CN2CCOCC2)CC1 1507790790 DAWZUSJTVSFYBF-SFTDATJTSA-N 460.623 1.946 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1507802736 CULHFVZJJFPSDJ-KURKYZTESA-N 482.651 1.564 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1507802738 CULHFVZJJFPSDJ-SQNIBIBYSA-N 482.651 1.564 30 10 JDEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCS(=O)(=O)NC(C)C)CC1 1507908982 MSONLBZXOJTSAE-UHFFFAOYSA-N 466.633 2.000 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCCN(S(C)(=O)=O)CC1 1508079348 RQIQPIDFTLAKKT-UHFFFAOYSA-N 497.419 1.482 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1508087536 SRWVXGAKXYPHEX-MRXNPFEDSA-N 468.537 1.885 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1508139511 BMCXMXVOGBMGGO-WMZOPIPTSA-N 482.628 1.984 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCOCC1 1508139831 KCVHFWIKUXXISN-UHFFFAOYSA-N 458.544 1.112 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncc(CC)s1 1508144797 HBIDWRDHRLVMOX-CQSZACIVSA-N 473.646 1.436 30 10 JDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1516793271 BUEIRKQRVWLJDQ-KRWDZBQOSA-N 465.601 1.512 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1517127256 DKLDBDGXNVQDAQ-SFHVURJKSA-N 452.544 1.525 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539203816 VPETVCHJANNGME-PMACEKPBSA-N 494.577 1.940 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1539215886 KZSKUQZJIXUZFB-KRWDZBQOSA-N 477.587 1.838 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCC1(F)F 1539265711 JTMWYGCFDCNOHN-IRXDYDNUSA-N 455.531 1.509 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCC[C@@H]2C)CC1 1539452486 UGNSYIPPXYAYFI-ZYLNGJIFSA-N 488.633 1.893 30 10 JDEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539497274 KXWQAYQUZWSSSD-RDJZCZTQSA-N 489.001 1.585 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1539642062 OVUANDUIBFTWIO-BJLQDIEVSA-N 455.625 1.904 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCNC(C)=O)Cc1ccsc1 1539705501 XDTMVKPTMCGRJN-SFHVURJKSA-N 482.632 1.391 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540863990 LVIKUHHNLHNOKB-AWEZNQCLSA-N 497.419 1.480 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](C(N)=O)C1 1540864517 BZYOIDKYNLOBIA-NSHDSACASA-N 451.300 1.461 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(N(C)C(C)=O)CC1 1540907088 LETJTVBNGQIEKQ-UHFFFAOYSA-N 494.643 1.318 30 10 JDEE C#CCCCn1c(N2CCN([C@H](C)C(=O)NC3CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1587893271 AYGLUUQWOYOYKX-DVECYGJZSA-N 458.607 1.521 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1588035657 WNYCKYLNYFKEQV-QKNQBKEWSA-N 474.583 1.632 30 10 JDEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1588073688 BINNVKGPCMGMEW-QGZVFWFLSA-N 471.612 1.682 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccc(OC)cc1 1588139708 QMSSFVSVUNCBLH-OAQYLSRUSA-N 471.583 1.325 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccnn2C)CC1 1588983859 CTSDMILRJYMUQA-HNNXBMFYSA-N 451.622 1.372 30 10 JDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1589109659 ITCBHKXNAYQFAF-UHFFFAOYSA-N 474.612 1.567 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1594455419 QIRDSNIXRLZGGM-RTBURBONSA-N 495.694 1.624 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1595773020 MPZGYCMXJSFNTG-QGZVFWFLSA-N 496.515 1.922 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1Cc1ccc(F)cn1 1611708794 GEWCRKOBKILUDC-QGZVFWFLSA-N 498.588 1.665 30 10 JDEE COc1ccc(OC)c(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)c1 1619308247 FSBLLBYSGFQHKI-KXBFYZLASA-N 478.575 1.272 30 10 JDEE CSC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)CCN(C)CC1 1620217500 BEZJZGXTIQCCME-MRXNPFEDSA-N 469.681 1.846 30 10 JDEE N#Cc1cc(F)c(N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1Br 1654974475 IDJYWYGDKZVRKL-UHFFFAOYSA-N 457.281 1.663 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](COc2c(C)cccc2C)C(C)(C)C)CC1 1679064146 UHXDWRDDXPLRRD-LJQANCHMSA-N 450.605 1.892 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1689978281 RDLVGPAIKJJLTK-ZWKOTPCHSA-N 451.593 1.392 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1689983037 ZHWNWLVJUSMMHZ-DYESRHJHSA-N 454.593 1.372 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689986468 QOPCYKLIRJFFRU-MOPGFXCFSA-N 454.556 1.863 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CC(=O)N(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689986567 SLWNXMBGHMVALI-LJQANCHMSA-N 472.615 1.701 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689996750 NQIVIRPYONYEJW-LJQANCHMSA-N 473.599 1.564 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689997004 UCNXMEHKGGFSSL-FGTMMUONSA-N 491.639 1.569 30 10 JDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(-n2cncn2)c1 1690025463 RODKPOBVKQEHME-UHFFFAOYSA-N 456.535 1.971 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn(C)nc1-c1ccccc1 1690033404 WSDNTASYTMSPLZ-GOSISDBHSA-N 465.583 1.800 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(OC)c(OC)c2)CC1 1690124625 PMXIDNAILCHWEO-IBGZPJMESA-N 473.599 1.195 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCC(=O)NC(C)C)CC1 1690152297 GPPSKAFOFMXTNU-UHFFFAOYSA-N 470.549 1.877 30 10 JDEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690221480 XJIFYORDXDSIES-AWEZNQCLSA-N 465.739 1.654 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCS(C)(=O)=O 1690245378 HKHDDNINHQMCOE-OXQOHEQNSA-N 486.598 1.654 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCN(CC)C(=O)C1 1690670484 CFQLONLVXDGUAS-UHFFFAOYSA-N 489.621 1.753 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1690675136 PWXUHHWUEJNOQZ-LJQANCHMSA-N 453.551 1.236 30 10 JDEE C=CCNC(=O)Cn1c(N2CCCN(CC(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1690677017 KWPYLAIKNBOHPD-IBGZPJMESA-N 460.501 1.307 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(C(N)=O)c2)C1 1690699252 BVGWOHZDNMLUJQ-RBUKOAKNSA-N 459.572 1.303 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 1690719898 VCPXXCYCMUGOJI-CQSZACIVSA-N 468.942 1.552 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1690724134 INAQZEXOLQOUFR-SFHVURJKSA-N 458.544 1.655 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCCN(CCC)C(=O)C1 1690727055 STLBAHWJHBBZCF-UHFFFAOYSA-N 466.633 1.683 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCCCO1 1692805241 CGBKWIQZHMDGCY-WIYYLYMNSA-N 487.630 1.651 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1705479863 PGNPQCSVWOFVPT-GAJHUEQPSA-N 458.563 1.643 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705523159 LQZLFNNVSYTVPP-SFHVURJKSA-N 450.547 1.082 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1705569940 LNQNVXRIEUTASH-KRWDZBQOSA-N 476.628 1.306 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCN(CC)C2)CC1 1705631857 CDAUDCXYQOQTGP-FQEVSTJZSA-N 470.021 1.959 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1705642101 GXQFSESWUTTYNU-ZWKOTPCHSA-N 458.588 1.076 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)C2CCCCC2)CC1 1705645548 XIYQTTBNJIIVPQ-GAJHUEQPSA-N 494.662 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1.830 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1722371625 XLOFILFSKRBDJE-HKUYNNGSSA-N 489.573 1.538 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1722372114 PLDNPEKCJINQHG-VXKWHMMOSA-N 487.674 1.887 30 10 JDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1722387768 YQUNXAVHFHVNPZ-LEWJYISDSA-N 469.615 1.417 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1NC(=O)CC1(C)C 1722394926 KSQCGTVKUMYIFH-SFHVURJKSA-N 481.626 1.924 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1722402241 JSVPYPUVHMKKJA-DLBZAZTESA-N 468.624 1.995 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)N1CCOCC1 1722429711 VNGNTLBVHXVTLJ-RTBURBONSA-N 493.655 1.401 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2F)CC1 1722444675 MMLRVTBWMQQIGK-OAHLLOKOSA-N 462.551 1.042 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2cccc(C)c2)CC1 1722447798 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457.535 1.145 30 10 JDEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCOCC1)C1CC1 1595033546 KOZOZKPPIDXCOV-UHFFFAOYSA-N 461.588 1.892 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1595501044 KGRNRGOLJWKERP-UHFFFAOYSA-N 452.968 1.372 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1595506426 AOGCIGAHQZYJCQ-SFHVURJKSA-N 478.561 1.108 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1595798861 USFGXLPXBHYWIT-SFHVURJKSA-N 476.603 1.503 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1 1595844594 FBRFOKYASWATOV-MRXNPFEDSA-N 458.654 1.109 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCCC[C@H]2C1 1595884033 GBFPAQONGXCKEA-ZWKOTPCHSA-N 470.665 1.205 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN(C)CC(F)(F)F 1608562972 FMVUQSHPEWULDS-UHFFFAOYSA-N 493.538 1.894 30 10 JDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)O)C1 1619882649 GBRIXSGBFKVJCL-LJQANCHMSA-N 476.603 1.464 30 10 JDEE C#CCn1ccc(CN(CC)C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)n1 1628798394 CKBCCUKYNWQAIM-UHFFFAOYSA-N 459.572 1.410 30 10 JDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1C(=O)OC 1661544800 ONWROEXVQHGVPP-LBPRGKRZSA-N 452.348 1.600 30 10 JDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] 1666566439 KXTZHWJEOAVCPG-SECBINFHSA-N 455.283 1.307 30 10 JDEE CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CCN(c2cccc(F)c2C#N)CC1)C(F)(F)F 1677430508 AJIKHEGRSUNYTL-OAHLLOKOSA-N 451.446 1.351 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1689978241 QCNTXMMDLJPJQB-MSOLQXFVSA-N 473.603 1.282 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)c(O)c1)[C@H]1CCS(=O)(=O)C1 1689978258 QNRPZXZUNSXERR-KRWDZBQOSA-N 496.549 1.315 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CN(CC(C)C)CCO1 1690018211 XRSJRNIWFZTEBM-QHCPKHFHSA-N 476.629 1.882 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1690146449 NZRSWSHNMSLHCS-OALUTQOASA-N 498.550 1.401 30 10 JDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690179110 NAOOGRLAONPXHJ-UHFFFAOYSA-N 458.613 1.224 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1690219812 LOKJMXYKJSGNGD-KBPBESRZSA-N 477.429 1.538 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(C)C(C)=O)CC1 1690432900 NXZINFPALJDMKD-LJQANCHMSA-N 482.651 1.660 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOC[C@H]2C)cc1 1690680482 STKPDFPQDVKCNE-XLIONFOSSA-N 477.587 1.449 30 10 JDEE CN(C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)CCCC1 1696605174 HBMGRTYOIUJNQB-IBGZPJMESA-N 479.651 1.615 30 10 JDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1697707491 AABVGJVDNZPYST-WOJBJXKFSA-N 495.628 2.000 30 10 JDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC#N)CC1 1698310290 GZNJPGBWSQGRAT-QGZVFWFLSA-N 491.643 1.824 30 10 JDEE N#CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCNS(=O)(=O)c2ccccc2)CC1 1698490635 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1722372414 WEPNRSJPCDIVRK-PMACEKPBSA-N 485.610 1.803 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1722433724 CEUNCRBEVCELMB-QGZVFWFLSA-N 463.007 1.635 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC(=O)N2CCOCC2)CC1 1722446749 AHNWTZKGUOINQD-UHFFFAOYSA-N 499.015 1.737 30 10 JDEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722457709 LDUKRHPXOYRIQG-PXNSSMCTSA-N 454.604 1.090 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)Cc1ccccc1 1722467337 RBEMIRSNTZQBIH-LAUBAEHRSA-N 479.628 1.495 30 10 JDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722535646 MBJNOUQIBFFNQQ-AUSIDOKSSA-N 484.649 1.721 30 10 JDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722628857 IPOIEESGVGAFIF-QHCPKHFHSA-N 453.547 1.671 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1722695713 NICYLEXTKOZHJB-UHFFFAOYSA-N 460.970 1.926 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1722696486 ADEQNMNLTDKKNK-UHFFFAOYSA-N 477.544 1.981 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1722700237 BXFNBEKLTZIWSF-LJQANCHMSA-N 452.563 1.148 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC[C@H](CO)O2)C1 1722718401 JXWKLWHXNOUJCF-IYWMVGAKSA-N 493.605 1.908 30 10 JDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1740578673 DCOJXZRRBCQTCK-SFHVURJKSA-N 450.609 1.661 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCO[C@@H]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740615532 GNXFSSZDZJVSFA-XUVXKRRUSA-N 477.631 1.736 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740621948 QPHJKMFEUMXXCV-OALUTQOASA-N 473.628 1.670 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CCN1CCN(C(C)=O)CC1 1740630213 GULCPNWKKYNMJE-UHFFFAOYSA-N 499.413 1.953 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(OC)cc1 1740655943 GQVOVSPPWYLVKT-OAQYLSRUSA-N 487.582 1.162 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(CC)nn(C)c1OC)C1CC1 1740911213 XXSUHOWFXNPOIM-SFHVURJKSA-N 479.607 1.119 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCO[C@H]1C 1740916510 PJFPZXALRFTBDA-XTQVGHSUSA-N 471.583 1.784 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1741002115 GDAIYKCRSZIDHS-JKSUJKDBSA-N 462.663 1.503 30 10 JDEE CC(=O)Nc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)cn1 1741067186 CBJBQLFWZCWMOX-UHFFFAOYSA-N 490.568 1.899 30 10 JDEE Cc1ccc(S(=O)(=O)NCCn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CC#N)s1 1742291017 IFLBMWFBOCLCMD-CQSZACIVSA-N 465.605 1.601 30 10 JDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1748759721 NIQMELVFQJMXFS-LJQANCHMSA-N 455.632 1.899 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748805248 PRQLMHYVJUKHIM-MDNKFWRPSA-N 491.639 1.319 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1CC1(O)CCN(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1748822111 XTRADLMVXZTGQT-OAQYLSRUSA-N 477.675 1.873 30 10 JDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC2(C(N)=O)CCOCC2)CC1 1748999052 GNHNBSJALYIFJQ-UHFFFAOYSA-N 452.559 1.203 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(N(C)C)CCCCC2)CC1 1749009317 HUBZUMOUTRDEIW-IBGZPJMESA-N 455.607 1.460 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCS(=O)(=O)C2)CC1 1749011147 WHBNZUDPLGJCGI-QGZVFWFLSA-N 471.583 1.354 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(C)(=O)=O 1749037946 KWBQWSUKNAYIDK-INIZCTEOSA-N 487.648 1.434 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCCC2)C1 1749230430 XNLAQOHTGKWQSR-GOSISDBHSA-N 453.609 1.974 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccc2F)CC1 1749721325 HDSSRYIJGRJCGZ-UHFFFAOYSA-N 499.572 1.992 30 10 JDEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760148335 WUEPJJIKTIPENZ-UHFFFAOYSA-N 488.390 1.387 30 10 JDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1760157674 XUNAXJHCNKPJNH-QZTJIDSGSA-N 488.589 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458.460 1.791 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Br)c3ncccc23)CC1 1207707776 GGQHPENQGLNUDI-UHFFFAOYSA-N 452.334 1.614 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1286325494 YNQPZSMISREHPL-GOSISDBHSA-N 489.602 1.041 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCCc1ccccc1 1286408684 JISZITDKZKWWSD-UHFFFAOYSA-N 489.605 1.670 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C(N)=O)cc2)CC1 1286473124 OWPINOQDMYVIQD-UHFFFAOYSA-N 468.359 1.938 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC2(S(C)(=O)=O)CC2)CC1 1286495190 XJCRFNCUSRTKEL-UHFFFAOYSA-N 469.611 1.606 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCNC(=O)C(C)C 1286534757 CPWDGYOKPLMJBX-LBPRGKRZSA-N 451.391 1.005 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1286786076 XCJHRRKONBPWHF-UHFFFAOYSA-N 481.582 1.543 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC(N2CCNC2=O)CC1 1286814551 BQWZRSKTMHKAOL-UHFFFAOYSA-N 474.587 1.549 30 10 JDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(=O)NCC(F)(F)F 1287217894 GTJDJTCEUYDBDL-ZDUSSCGKSA-N 451.457 1.457 30 10 JDEE C[C@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)CCCO1 1291289187 FZQYRVTZPNUFME-IBGZPJMESA-N 487.630 1.399 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1300325339 YBLKXRVNCYDTJB-VNRULFPQSA-N 450.499 1.850 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1300484258 PLMVYLOCUBDKFL-WJFTUGDTSA-N 454.593 1.180 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCN1CCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1300487070 FNVBEUKYXJORPB-INIZCTEOSA-N 498.030 1.261 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(C)COCCO2)CC1 1300709953 MGLIZHZQQQGWHL-YADARESESA-N 474.606 1.911 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCN2CCCS2(=O)=O)CC1 1300719148 PVVBNUWZEZRXKI-UHFFFAOYSA-N 470.599 1.255 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@H](C)CN2CCOCC2)CC1 1300719334 WZMKEXYHPQOGEU-HXUWFJFHSA-N 450.587 1.879 30 10 JDEE C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1300928923 RJYKTMUSCQMFEH-INIZCTEOSA-N 484.536 1.600 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1301040623 HJNJIXGFOLITFW-MRXNPFEDSA-N 482.010 1.313 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1301477933 FXZSVUUDCOKQLM-OAHLLOKOSA-N 497.021 1.332 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1301491360 QHDJXXXIWIUGKA-UHFFFAOYSA-N 460.542 1.403 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCOCC3)nc2)C1 1301534964 GQCGBPSJAWAZIJ-IBGZPJMESA-N 455.563 1.478 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C)=C(Br)C1 1301568107 OEDIEWQTZDUJTO-UHFFFAOYSA-N 460.398 1.896 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN(C(C)=O)C[C@H]1C 1301587500 PWRGBWLLSPSMEE-QGZVFWFLSA-N 461.588 1.535 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@H]2CCCCO2)cc1 1302993316 CKZUZVGEOISYMH-FQEVSTJZSA-N 454.531 1.769 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](c1cccs1)N(C)C 1303822696 DUSRYDVCLGILGY-HOCLYGCPSA-N 451.622 1.993 30 10 JDEE COCc1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)cs1 1315868072 AVRHYMKODSZFGH-IBGZPJMESA-N 467.555 1.809 30 10 JDEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC(F)(F)F)nc2)CCO1 1316539924 HRNMNCPPIUXLMS-GJZGRUSLSA-N 486.476 1.293 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(C)C)nc1 1358889819 HCQXMUFBSSZOGO-WMZOPIPTSA-N 462.576 1.299 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1358955994 YEFIGMDPHXDLTB-RDJZCZTQSA-N 476.628 1.709 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358965551 XDFPNRPSPIDLJS-HXUWFJFHSA-N 499.618 1.365 30 10 JDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCNC(=O)[C@H](C)CCC)CC1 1359034466 RQIUCDFKNFSUBW-GOSISDBHSA-N 476.585 1.902 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCNS(=O)(=O)CC)CC1 1359041639 DETCWEZSROWNFG-UHFFFAOYSA-N 479.006 1.504 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCC2(O)CCOCC2)CC1 1359043223 MFBWTVSSIUMRCV-UHFFFAOYSA-N 455.534 1.982 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359292398 OKMFEYICNISQMT-RXVVDRJESA-N 499.591 1.602 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1359327080 RMYSKYXZFBTFHX-UHFFFAOYSA-N 487.508 1.350 30 10 JDEE CC(C)CN1CCO[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)C1 1360038409 FCTPQQFBTLGKRQ-VQTJNVASSA-N 464.636 1.667 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCN1CCCCCC1=O 1360671426 FUAJXONCUUSEOY-MRXNPFEDSA-N 451.597 1.421 30 10 JDEE COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)CNC(=O)c1ccc(C#N)cc1 1466109496 FNBVCJQMUZVNJB-LJQANCHMSA-N 451.479 1.994 30 10 JDEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 1470489861 RJSSMVPWRHSIKG-SFHLNBCPSA-N 450.605 1.855 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(Cc3nc(-c4ccc(F)cn4)no3)CC2)C1=O 1471774095 JXXCYYLBDKJPII-UHFFFAOYSA-N 456.434 1.029 30 10 JDEE CCCS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 1475179551 IEZODANXDVAEAZ-WMLDXEAASA-N 457.574 1.908 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=O)N(C)CC)c1 1507548781 CWYUBFKGCDYXBI-RUZDIDTESA-N 482.585 1.853 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCc2noc(CC)n2)c1 1507549567 HOQCDKOFSLPTON-UHFFFAOYSA-N 459.514 1.923 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1507637821 BVXYMNWAGUCTNU-JJCDCTGGSA-N 464.613 1.561 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCc2n[nH]c(C)n2)CC1 1507734525 YQYLHEVHLYUBOL-UHFFFAOYSA-N 489.584 1.782 30 10 JDEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507755688 GXTSAKYPQOCIJZ-UHFFFAOYSA-N 470.574 1.302 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)(C)C 1507796970 KAONMDFQUIJGLB-NUJGCVRESA-N 453.609 1.512 30 10 JDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507846746 WITLAWLLJCNBDE-UHFFFAOYSA-N 454.622 1.698 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCN(CC)C2)CC1 1507901616 CFJKPNZRYPMUDK-OALUTQOASA-N 452.625 1.355 30 10 JDEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1508025721 BILQCIODKPXOBF-QGZVFWFLSA-N 457.560 1.987 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C)(COC)CC1 1508075908 YGRUIFBNKJTSQT-UHFFFAOYSA-N 451.535 1.476 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1508084717 ANKMTTJJSZKYIB-UHFFFAOYSA-N 473.585 1.720 30 10 JDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1508098014 MXYJFLCIWMAXTE-JRSMBCBASA-N 463.579 1.394 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1516825032 HOCGMZBTHNGBQF-UHFFFAOYSA-N 499.641 1.937 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CC1 1530235002 JCPFUDNLGXCEHC-UHFFFAOYSA-N 457.596 1.564 30 10 JDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1539044833 JOVHKESPBSRTDK-GOSISDBHSA-N 464.574 1.518 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1539210291 BCVRLEUBRDOSDK-RTBURBONSA-N 461.588 1.320 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C(=O)NCC)CCC1 1539245509 HMPNULVPLJBNBZ-UHFFFAOYSA-N 482.610 1.575 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCc2sccc2C1 1539325301 GEUAOQWNEWDMHQ-LJQANCHMSA-N 457.625 1.763 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1539436165 LUOAVXFIOFWXTM-UHFFFAOYSA-N 486.001 1.705 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1539798321 DVWQGPYDEHJTKT-LSDHHAIUSA-N 464.958 1.784 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1540029438 QRNIFYSDCUBEGU-QGZVFWFLSA-N 461.544 1.582 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN(CC(C)C)C1 1540073670 SGILCAKMNUBQBF-MOPGFXCFSA-N 454.641 1.601 30 10 JDEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(S(C)(=O)=O)CC1 1540857930 WRFNZCVSUAGYTN-UHFFFAOYSA-N 454.597 1.660 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)c1 1556118083 NJIDKDRSAXRJRJ-OAQYLSRUSA-N 457.552 1.351 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCn2cc(C)cn2)c1 1587683189 DLVBMLGONKQXGW-UHFFFAOYSA-N 460.542 1.775 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(C)CN(C)C2=O)c1 1587697577 TWZJMBYWXDGIHP-CTIGNXTNSA-N 480.569 1.537 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1587765111 ARBLVRJPTINTJZ-TZIWHRDSSA-N 495.646 1.436 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1588040785 QNFYKSXDBWEXGR-SBUREZEXSA-N 490.582 1.395 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCCN1CCCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588059542 PZUGAGSLLHBELA-VQTJNVASSA-N 451.637 1.604 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(Cl)cccc1OC 1588234006 YJILINNCLRFHAO-FQEVSTJZSA-N 492.001 1.784 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCC(F)(F)F)nc1 1588638269 QUPPZAOMKFVRDY-HNNXBMFYSA-N 452.437 1.700 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1594963081 PQBNZWDJEGPTPO-IAGOWNOFSA-N 486.639 1.736 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2csc(CC)n2)C1 1595730071 SXISDTFBVICMKX-IRXDYDNUSA-N 482.632 1.460 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1595777227 KGTKYVDNJFKTIM-HXUWFJFHSA-N 456.572 1.956 30 10 JDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCCC2=O)CC1 1617618794 BZMBBVGSXWZOPE-UHFFFAOYSA-N 465.558 1.798 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1689982753 TWBWKYPYCTYTSE-FQELHTAISA-N 464.975 1.765 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1689996708 MMQMEFZNGFWFKK-SFHVURJKSA-N 476.002 1.923 30 10 JDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCS(=O)(=O)C1 1690072811 UYCAZFDTVHSIIB-MRXNPFEDSA-N 464.617 1.523 30 10 JDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCN1CC 1690101223 SOLSTPXZWHNRDJ-GOSISDBHSA-N 459.620 1.809 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CC1 1690104113 MXQNIHKFBYWRGS-KRWDZBQOSA-N 497.618 1.250 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)CC1 1690139512 PUPNRDPGQDWYEL-JGCGQSQUSA-N 450.568 1.694 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1690717927 VMWQMYMEUPZQQQ-SJLPKXTDSA-N 482.628 1.953 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@]2(CCCOC2)C1 1690732054 URDMDUNPSVPRPA-WFXMLNOXSA-N 454.593 1.610 30 10 JDEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CCCN2S(C)(=O)=O)CCOC1 1696063889 ADCAROMKCWRTNN-UIFIKXQLSA-N 466.608 1.484 30 10 JDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(C(N)=O)cc1 1705546342 ISPSAUDOZKWLGY-UHFFFAOYSA-N 451.556 1.763 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705568626 RRAUVAKBVTUEPN-ZWDAVXSWSA-N 460.604 1.318 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1705569484 HPWIXODSDQOEHI-HNNXBMFYSA-N 481.554 1.900 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(C)COC2)CC1 1705646079 QGTUKDNHOXSFQN-UHFFFAOYSA-N 453.543 1.965 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705694690 SSFTZILBPGWGCD-PZJWPPBQSA-N 473.622 1.142 30 10 JDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1)c1ccccc1 1705741411 OQRXKTXDVZMNAZ-SFHVURJKSA-N 451.531 1.602 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1705805319 DQCFGMIAIIDRJL-HXUWFJFHSA-N 478.663 1.671 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1705825025 HDLKNHHFAREIPY-UHFFFAOYSA-N 460.579 1.182 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC(S(C)(=O)=O)CC1 1705908129 JAYMCGRTTGCXIK-UHFFFAOYSA-N 463.560 1.181 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)O[C@H](COC)C1 1705935501 TTXHYKRQCBEEJU-WMZOPIPTSA-N 452.552 1.849 30 10 JDEE CC(=O)N1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)C1 1705969993 IQBAYZLDCUXYSP-IBGZPJMESA-N 479.589 1.268 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCCS1(=O)=O 1711084387 GMAKYFIOXLYVHB-UHFFFAOYSA-N 480.554 1.469 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1722277466 IITJYVJREKJZPC-YWZLYKJASA-N 467.617 1.737 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1722360484 ICLIUPBXGUNFRI-HYDGNGQDSA-N 450.586 1.349 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1722363590 GOKLHVQDFXBSPW-XMSQKQJNSA-N 462.572 1.895 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCC(=O)N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1722364871 ALRDNZXOZRPWNJ-VQTJNVASSA-N 477.631 1.939 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1Cn1cccn1 1722372951 GZVMHHBIKSPGPW-SFHVURJKSA-N 451.556 1.254 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC(F)(F)CO1 1722449158 QZXADWIVFSVKAR-HNNXBMFYSA-N 458.469 1.702 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CCOCC1 1722516616 BUAIHKDDQZGANE-KRWDZBQOSA-N 473.665 1.926 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncnc3sccc23)CC1 1722519204 OPEHEJOJXVQZFA-AWEZNQCLSA-N 462.605 1.796 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1722523581 ZJMSXABEFTXSLW-LSDHHAIUSA-N 467.514 1.735 30 10 JDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1722543945 NXJHOOKIZOFRLB-OAHLLOKOSA-N 468.967 1.708 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1722693665 WRCDPYOVYTYHJP-KRWDZBQOSA-N 455.519 1.898 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1722700857 XFYIQGBLLMBPMF-UHFFFAOYSA-N 494.644 1.479 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(C)n2)C1 1722719461 UNDIFVFESILIEN-VQTJNVASSA-N 476.603 1.338 30 10 JDEE 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481.578 1.956 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740626753 WGJRBTLRCQWJRU-RTWAWAEBSA-N 458.632 1.867 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1740640472 NVNYKWWCPJXULB-VGSWGCGISA-N 499.593 1.064 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1740751271 IKEMFVLROPGYBP-WCIYBSDLSA-N 493.634 1.355 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](NC(C)=O)C1 1740958973 XZIHKZOFOIQVBT-RTBURBONSA-N 489.621 1.800 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2c(ccnc2N(C)C)C1 1740985426 HTPOMHSXMLQUCH-UHFFFAOYSA-N 461.592 1.041 30 10 JDEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1741004935 QCAQLTCBRDMBRT-OAHLLOKOSA-N 460.535 1.062 30 10 JDEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1748735207 DESFEUDNWCPSJT-NVXWUHKLSA-N 456.934 1.632 30 10 JDEE 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C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCS(=O)(=O)C1 1301956189 GCFPVOBFOMJYQZ-HUUCEWRRSA-N 451.574 1.379 30 10 JDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nc(C(F)(F)F)cs2)CCO1 1316539702 FRUIAUMUURMHTE-GHMZBOCLSA-N 462.479 1.433 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1358965247 QTGRKRMBRNWLCP-MRXNPFEDSA-N 473.509 1.667 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(C(C)(C)O)c1)[C@@H]1CCS(=O)(=O)C1 1358966795 XAGVVGKJOSCNDI-HXUWFJFHSA-N 485.610 1.303 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(=O)CCC)cc1 1359010332 MFJNIMKCCUBKKJ-HXUWFJFHSA-N 488.614 1.857 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1359042724 RHMVHEGZJWFCOU-SFHVURJKSA-N 485.610 1.744 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](SC)C1 1359057504 AQWRVCGLPNNLEC-SJORKVTESA-N 473.690 1.699 30 10 JDEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1359223965 BNZZILFKFYNKLJ-UHFFFAOYSA-N 479.585 1.390 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@H](OC)C1 1359298888 ORMGYGWXLFLTEK-MAUKXSAKSA-N 451.531 1.355 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1359299745 MOACQGVRFWEAMC-LJQANCHMSA-N 469.546 1.364 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCS(C)(=O)=O)C1 1359315077 NMKRQDWDYIUSNH-CQSZACIVSA-N 458.382 1.872 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)n1 1459755557 ACRIYKOSUFGTKB-GOSISDBHSA-N 450.586 1.796 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCn2cc(Br)cn2)C1 1505311714 GPJUEAPZEFNDPI-KRWDZBQOSA-N 451.304 1.615 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CC(C)(C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507629728 OVHFZQVIIYILNN-HXUWFJFHSA-N 471.627 1.991 30 10 JDEE C#CCN(c1nnc(CC)n1C[C@H](c1cccc(C)c1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507633498 GIMQWIVACGMCIA-FCHUYYIVSA-N 471.627 1.849 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507637872 CLJAOGSIBPONOC-NHCUHLMSSA-N 487.626 1.247 30 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C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](OCC)C(C)C)[C@H]1CCS(=O)(=O)C1 1588055714 YMGWPCPXMOZWNM-CEXWTWQISA-N 486.660 1.258 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 1588055746 YWZYKZXCTOWPFC-MOPGFXCFSA-N 497.687 1.071 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1588064831 QAEGVGVQNADAOH-RBUKOAKNSA-N 468.645 1.462 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(C(C)(C)C)s1 1588233624 MJIYHUVFKCQYIN-MRXNPFEDSA-N 491.643 1.271 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCNC(C)=O)CC1 1588733666 XXCOXXADYWBSKP-UHFFFAOYSA-N 457.966 1.143 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCOc2ccc(OC)cc2)CC1 1588752502 STNCYJORZWYDRC-XMMPIXPASA-N 455.559 1.773 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1588898771 BIZZKRFJWLWYQR-UHFFFAOYSA-N 471.583 1.497 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCN(C)Cc2ccccc2)CC1 1588923817 MWTHDDIFOXANDS-UHFFFAOYSA-N 458.570 1.833 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1594492070 RXJMPMRJPMVFSJ-QGZVFWFLSA-N 477.591 1.472 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1595529975 OLJJHWCFBUFGLE-LJQANCHMSA-N 466.590 1.084 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1595744615 OBCBGEORBCHBBM-ICSRJNTNSA-N 457.556 1.945 30 10 JDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1611319489 HQAUPBCOFVDRTJ-SQNIBIBYSA-N 457.558 1.485 30 10 JDEE Cn1cccc1-c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCS(C)(=O)=O 1618448545 DJVFWKLODNEVON-UHFFFAOYSA-N 454.560 1.312 30 10 JDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H](c2cnn(C)c2)C2(CCOCC2)C1 1627978176 BSTGDEVUTQTVJI-OXJNMPFZSA-N 457.556 1.381 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)c1 1631207174 WQRQYDLFCGUOQF-KRWDZBQOSA-N 450.900 1.486 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](C)CN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1689984924 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30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1705903225 RIXVQGBARLCVPC-TZIWHRDSSA-N 467.574 1.171 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCSC[C@@H]1C 1705904553 RPCDBUDFNQEADG-JKSUJKDBSA-N 466.608 1.830 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nccc(C(F)F)n2)C1 1705916309 OLYDRGXAJVQLJQ-STQMWFEESA-N 457.507 1.446 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1705932500 FKYXMPUDLZKASR-UHFFFAOYSA-N 492.602 1.415 30 10 JDEE CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1711059525 FLMIGCSKBXZFNS-UHFFFAOYSA-N 491.600 1.764 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1722347020 XUYOXVLLMLFFQV-CVDCTZTESA-N 473.599 1.993 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1722365798 NYJVCPLTYDURRE-LJQANCHMSA-N 456.547 1.725 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1722365935 QCWVCSUYRKMYTL-AVRDEDQJSA-N 466.604 1.516 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1722368434 RMIRCHFADXZCED-MJGOQNOKSA-N 480.587 1.189 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1722369617 CGVQNMBRJFBDIE-FQEVSTJZSA-N 470.599 1.696 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC(=O)N2CCOCC2)CC1 1722430320 ARRPSGQXZPHION-LJQANCHMSA-N 470.549 1.561 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1722436005 VFJFGRMXXOQNSR-RUZDIDTESA-N 468.602 1.564 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1722436425 GEEVWZQOPIREMJ-MSOLQXFVSA-N 456.513 1.190 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1722440943 FERHBOBBGPTEPE-NRFANRHFSA-N 486.642 1.511 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)CCC(C)C)CC1 1722442112 YDEYFJMDWALAOE-DEOSSOPVSA-N 458.607 1.667 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCS(=O)(=O)NC)CC1 1722444983 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C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1760183337 ONFHWNRJMVNEHX-HXUWFJFHSA-N 485.610 1.851 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCOCC)[C@H]1CCS(=O)(=O)C1 1760190789 ZCNXPGLEUMAYIZ-SFHVURJKSA-N 498.609 1.635 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CC(=O)NCC(F)F)CC1 1760261464 RRCWUYONGWSDBI-UHFFFAOYSA-N 497.344 1.756 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(c2ccccc2F)C1 1760464878 QZBDEHRXWLSISS-PXNSSMCTSA-N 478.594 1.899 30 10 JDEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1760512218 ONNQSKIHKBEJIU-OAQYLSRUSA-N 475.615 1.889 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H]3OC(=O)O[C@@H]3C2)cc1 1760530130 LACOXDACCYHEHL-BMGDILEWSA-N 477.543 1.616 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1760557698 UESORDXNUUTCTC-MRXNPFEDSA-N 463.564 1.077 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC(C)(C)O 1762293159 DNZPQBDHJMUNPA-INIZCTEOSA-N 469.594 1.734 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1N1CCOCC1 1764187237 GZCVMGNGWPYLBQ-FQEVSTJZSA-N 467.574 1.810 30 10 JDEE CN(C)CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1766931414 AMMVTGFDAYSJLY-IBGZPJMESA-N 453.547 1.118 30 10 JDEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)CC1 1767099752 HJNRRJRUPVERKO-GOSISDBHSA-N 459.620 1.324 30 10 JDEE N#Cc1cccc(C(=O)N2CC[C@@H](NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C2)c1 1858298183 HMWCDBPIUCHZMW-HXUWFJFHSA-N 452.536 1.987 30 10 JDEE COc1ccc(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)c(OC)c1 1858334332 FUQZELKPQUHXNF-OAHLLOKOSA-N 451.526 1.317 30 10 JDEE CC(C)[C@H](NC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1)C(=O)O 1858977234 KGDZNJBKDITCSP-IBGZPJMESA-N 472.523 1.628 30 10 JDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc(Br)c1 1865729435 OUYVZOGZBHCYDM-OAHLLOKOSA-N 487.354 1.742 30 10 JDEE C[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 1866871811 HVBFNSABWFDHMM-KSSFIOAISA-N 475.596 1.816 30 10 JDEE CC(=O)NCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869932016 POIFUYCYRUFNHC-LJQANCHMSA-N 453.524 1.070 30 10 JDEE C=CCn1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc2c(=O)n3cccc(C)c3nc21 1875237760 OJCHBJSILUZORC-UHFFFAOYSA-N 465.535 1.764 30 10 JDEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)CC1 1889670874 KSXDYILBUKIPNH-UHFFFAOYSA-N 463.600 1.268 30 10 JDEE COc1nc(CNC(=O)[C@@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)nc(N(C)C)n1 1890214038 WUOBITIKLAYZOQ-RBUKOAKNSA-N 469.571 1.528 30 10 JDEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CC(CN3C(=O)CCC3=O)C2)[C@H]1c1ccc(C#N)cc1 1892096215 XLMJBQSSKXUQSD-FGZHOGPDSA-N 454.552 1.559 30 10 JDEE C=C1CC(CN)(C(=O)Nc2c(I)ncnc2I)C1 2062999681 JBRZPSWDQNOMMQ-UHFFFAOYSA-N 470.052 1.919 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2247902332 UWWIPNVTZNRMOE-RYUDHWBXSA-N 459.399 1.527 30 10 JDEE Cn1ncc(C(=O)N[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2247916217 SHRKNMURQXZNFG-CALCHBBNSA-N 454.336 1.907 30 10 JDEE Cn1nc(C(=O)NCCCONC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255648995 PMJBEBKIDOYTMD-UHFFFAOYSA-N 458.752 1.949 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)n1 2255931067 FMRUZEMKTZBKOJ-UHFFFAOYSA-N 490.391 1.362 30 10 JDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](CO)CNC(=O)OC(C)(C)C 2255931275 IQPSOAHGSZAHTM-ZDUSSCGKSA-N 476.426 1.520 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)C(C)(C)O 2256676970 SWTLQGCTJDOECL-ZDUSSCGKSA-N 455.386 1.723 30 10 JDEE CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267092299 VFQQNLJMMMXINB-UONOGXRCSA-N 450.345 1.463 30 10 JDEE CC1(C)OB(c2cnsc2C(=O)NCCN2CCN(Cc3ccccc3)CC2)OC1(C)C 2267548007 OYXOGCIGKGYWLI-UHFFFAOYSA-N 456.421 1.990 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2281799775 ZUDBZYMRQOUEQE-MAUKXSAKSA-N 461.368 1.729 30 10 JDEE Cn1nc(C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282036193 FRJCFZZYGWXJLH-LLVKDONJSA-N 478.708 1.903 30 10 JDEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282673498 XGVGRIXSZPMVRT-INMHGKMJSA-N 462.356 1.576 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2282691768 OJMKYIDOUIZOLV-MAUKXSAKSA-N 463.384 1.765 30 10 JDEE C[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)c1cnn(Cc2ccccc2)c1 2282839971 KQTJMBOHYMPSJW-OAHLLOKOSA-N 472.380 1.399 30 10 JDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C[C@H]2OCCC[C@H]21 2288406515 PMFPBMMYSWLWAE-SQHYZVFZSA-N 480.396 1.660 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2356120552 NULXQMUIONTHEY-KZNAEPCWSA-N 462.352 1.656 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)cc2C1=O 14843200 WIXOIPDJCQFCDK-UHFFFAOYSA-N 485.518 1.750 30 10 JDEE COc1cc(NC(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)cc(OC)c1OC 20914585 GAOPZXPAVMQLJJ-LSHDLFTRSA-N 473.515 1.900 30 10 JDEE Cc1c(C#N)c(NC(=O)CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)n(Cc2ccc(F)cc2)c1C 22790544 FSLNZKPQWLWRME-OAQYLSRUSA-N 487.601 1.907 30 10 JDEE C/C(=N/OCC(=O)OCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccc2c(c1)OCO2 59485796 KGGZCGQZMNSWDQ-UCQKPKSFSA-N 477.495 1.588 30 10 JDEE NS(=O)(=O)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3ccccc3[N+](=O)[O-])n2)cc1 59844421 IBMXXCBOZOKRBW-RGVLZGJSSA-N 490.527 1.927 30 10 JDEE NC(=NO)c1ccc([C@H](O)Cn2cnc(I)c2I)cc1 402146916 LADYSWKJXXKBBZ-SECBINFHSA-N 498.062 1.920 30 10 JDEE CC(=O)Nc1cccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cnn4ccccc34)c2=O)c1 729669904 VRNDIRAPPABTDG-UHFFFAOYSA-N 486.557 1.533 30 10 JDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1286378007 KUUXRODVFVJXQX-QGZVFWFLSA-N 457.604 1.282 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1n[nH]c(C)n1 1286427448 IHGUPDWEVIRDHJ-GOSISDBHSA-N 468.562 1.719 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(CS(C)(=O)=O)CC1 1286463744 LMXJPWVRTLWBMQ-UHFFFAOYSA-N 460.556 1.627 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOCc2ccc(OC)cc2)CC1 1286480704 ZGPFFJKWDHFBPQ-OAQYLSRUSA-N 452.559 1.600 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2csc(COC)n2)CC1 1286485113 DGKGUIHCQOIEKR-UHFFFAOYSA-N 459.576 1.033 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@]2(O)CCOC2)CC1 1286492573 MRFJGIWPCLFYOQ-QHCPKHFHSA-N 457.506 1.113 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286501415 XFNGMOYEKMZYAM-MRXNPFEDSA-N 450.586 1.952 30 10 JDEE C=C(Br)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](COC)C1 1286537608 AHDHYVLKIJBODJ-AWEZNQCLSA-N 485.408 1.998 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)C(=O)NCC3)C1 1286799954 CNFYJSMZKXYWND-YJBOKZPZSA-N 474.587 1.004 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1286802861 DVIGLJLXWNGTOX-JQVVWYNYSA-N 468.620 1.925 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2C)CC1 1286819660 RLDNKRLXQQUXPC-FQEVSTJZSA-N 472.615 1.461 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1286820512 MOPWWELASAZBGI-LJQANCHMSA-N 461.588 1.769 30 10 JDEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OCC)CC1 1294870133 HJJAZNCRPQCUEH-UHFFFAOYSA-N 469.546 1.924 30 10 JDEE CCO[C@@]1(c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCC(=O)N[C@@H](C)CC)CCOC1 1296649259 GQMMNLKHBQJRMT-DFBJGRDBSA-N 496.616 1.828 30 10 JDEE CC#CC[C@H](CO)NC(=O)CCSCc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 1300300800 LBIOAGKQEQKZAR-CYBMUJFWSA-N 451.570 1.984 30 10 JDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1300422596 UEZFTCJYLWTHKC-UHFFFAOYSA-N 461.526 1.069 30 10 JDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1300482065 DELGISSVTLEOJS-MSOLQXFVSA-N 454.593 1.446 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1300606526 MZKBNRIKBMGTMY-QGZVFWFLSA-N 459.572 1.303 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1Cl 1300672320 YMHWQOGEGIKXOF-IIBYNOLFSA-N 466.991 1.827 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccc(OC)cc2)CC1 1301086028 FAHMFIOFLGYNRM-FQEVSTJZSA-N 477.587 1.855 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CN(C)C1=O 1301340241 XNGLLXJDZJZGQV-XXBNENTESA-N 468.583 1.723 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1301499557 BZYHOVSAMNDLLI-QUCCMNQESA-N 473.622 1.391 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(N)=O)C1 1301531648 SCFWUANFFINEPJ-VGOFRKELSA-N 459.572 1.495 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1301567992 NEKBDIIOHBLJPJ-AEFFLSMTSA-N 453.609 1.803 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1301587360 YWFOBDJCLQNBCI-LJQANCHMSA-N 492.646 1.449 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC(S(C)(=O)=O)CC1 1301588379 YLVDOHJMGGNPJT-UHFFFAOYSA-N 466.629 1.792 30 10 JDEE C=CCS(=O)(=O)CCn1c(N(C)[C@H]2CCCc3c2cnn3C)nnc1[C@@]1(OCC)CCOC1 1301593360 NATYOKHVAFOGKM-PGRDOPGGSA-N 478.619 1.778 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c(C)nn(C)c2C)c1 1358902583 SILAINZCONMODC-LJQANCHMSA-N 495.609 1.635 30 10 JDEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCCNS(C)(=O)=O 1358953055 JOPQKVZUEOFWTB-UHFFFAOYSA-N 456.366 1.628 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1358966263 LCYJXHRMIYAKSA-SFHVURJKSA-N 484.607 1.534 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358966560 RNGHOXFXPSIXBW-FCHUYYIVSA-N 477.675 1.994 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCCN2CCOCC2)CC1 1359046977 MRGNHDOHUYXPSO-UHFFFAOYSA-N 482.633 1.218 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359101982 VBQIZWWNFUEGDB-FPOVZHCZSA-N 460.604 1.717 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1359121997 RTTUMSPFXLXHCL-JKSUJKDBSA-N 451.553 1.263 30 10 JDEE C=CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1359288134 BWCWVRWSCINZIZ-LJQANCHMSA-N 461.588 1.694 30 10 JDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)CC1 1463163601 AXXMMTMXPUSCFT-MRXNPFEDSA-N 457.980 1.200 30 10 JDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C1 1503872397 HFJZXFKTVMDZEU-QGZVFWFLSA-N 452.515 1.774 30 10 JDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)C1 1505123490 HRJKIJCMAHAHOC-QZTJIDSGSA-N 463.585 1.407 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1nccnc1C 1507521702 POUNNLBHWZYNOF-MRXNPFEDSA-N 453.572 1.994 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1507549602 IXJITRKFQVJVJB-HSZRJFAPSA-N 483.550 1.452 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1507588025 DUZMMSOJUGVDLK-PMACEKPBSA-N 490.634 1.149 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCc2ccccn2)cc1 1507616732 NEQGSHGDCVDLCI-JOCHJYFZSA-N 496.593 1.703 30 10 JDEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1CCS(=O)(=O)N1CCSCC1 1507621074 ORKLZFIGCSZYFR-UHFFFAOYSA-N 463.629 1.520 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(C)c1 1507653402 OICIMBGNROQCGF-CTNGQTDRSA-N 471.583 1.460 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1507738699 VZMIACRYMYHNAT-RBUKOAKNSA-N 499.616 1.595 30 10 JDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507749733 ZGHIUHUGKFVUAR-SFHVURJKSA-N 483.554 1.986 30 10 JDEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1507781495 AMHRXIKPLQAAIV-ZDUSSCGKSA-N 495.403 1.970 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1507791569 NFSBFDDMWQDWLF-AZUAARDMSA-N 494.662 1.746 30 10 JDEE C=C(C)COCCn1c(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)nnc1C(C)(C)C 1507847571 AIAIVOSSPGSUBP-SFHVURJKSA-N 455.625 1.799 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1508080890 FOVHJEJMKJDTCH-LJQANCHMSA-N 453.591 1.592 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1508141800 OPHXCKBDCCAUJX-APWZRJJASA-N 497.643 1.965 30 10 JDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOCC2(C)C)CC1 1508218584 AXUDODGDXHKZMQ-UHFFFAOYSA-N 451.575 1.986 30 10 JDEE Cc1cccc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)n1 1511165004 CCBABJGQJQEPBA-UHFFFAOYSA-N 488.596 1.885 30 10 JDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCNS(=O)(=O)c1ccc(C)s1 1513974067 DITGGMRBDIOCKO-SFHVURJKSA-N 499.622 1.880 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1539014224 LKZMUJNARUROTA-YESZJQIVSA-N 484.623 1.230 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1539200863 QOZIANQJNBPZLX-PKOBYXMFSA-N 489.573 1.747 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1539218875 FMCRHPCWZLBCLF-HNNXBMFYSA-N 479.553 1.546 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn2ccc(C)cc2n1 1539370347 VTHMCVXLRKBMLO-GOSISDBHSA-N 457.560 1.075 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1539481600 MOTFBUUVZCCKFK-FQEVSTJZSA-N 485.610 1.394 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1539483115 ZJDFPDRVPGQFFU-SFHLNBCPSA-N 472.634 1.636 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1539630201 CZSRYGHZAIEOTF-FHWLQOOXSA-N 478.619 1.722 30 10 JDEE Cc1nc(C#N)c(N2CCC(C(=O)N(CC(F)F)C3CCN(S(C)(=O)=O)CC3)CC2)o1 1539715282 DRUXDFUNSDVMIL-UHFFFAOYSA-N 459.519 1.589 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1540869739 VLJIXLCPNAALNT-SFHVURJKSA-N 465.514 1.244 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1540900442 VVAPZFJZCJNEMI-ROUUACIJSA-N 489.598 1.811 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1540902511 LFOLSUFRRANIAJ-NVXWUHKLSA-N 478.571 1.454 30 10 JDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)C1 1541030638 FFROTJXBVKESGY-FGZHOGPDSA-N 451.575 1.768 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@@H]3CCCS(=O)(=O)C3)CC2)c1C#N 1543001902 HHLKWEKFZWTONC-SFHVURJKSA-N 474.635 1.542 30 10 JDEE C[C@H](CC(=O)Nc1cccc(OCCn2cncn2)c1)/N=C1/NS(=O)(=O)c2ccccc21 1544401064 IEZDTWUUCUPWKS-OAHLLOKOSA-N 454.512 1.813 30 10 JDEE CCn1cc(S(=O)(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)[C@@H](C(=O)NC)C2)cn1 1548367720 JEMCZJVSOHHCOL-QGZVFWFLSA-N 470.477 1.419 30 10 JDEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)CNC(C)=O)CC2 1548377228 FYBFZHOKRAWRCK-GOSISDBHSA-N 465.476 1.504 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC1 1554149850 AVTSXKARUDHROU-RBUKOAKNSA-N 460.560 1.156 30 10 JDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1554315477 CWILLBYYSIRVQB-INIZCTEOSA-N 451.574 1.122 30 10 JDEE CNC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1554477278 ALJJKCNEKMBESJ-UHFFFAOYSA-N 459.514 1.260 30 10 JDEE C#CCN(CC(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1)C(=O)OC(C)(C)C 1556095653 BEKQJAOYVFWBOC-UHFFFAOYSA-N 450.561 1.577 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1587620809 KQIUWDXNPCPJDO-WIYYLYMNSA-N 490.612 1.593 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1588070323 YSECWHAYABMHLL-IRXDYDNUSA-N 477.612 1.323 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1588733043 LCYHOPTXPRXVGM-UHFFFAOYSA-N 471.606 1.739 30 10 JDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1589701281 WZIKAPKFJKVCRY-FQEVSTJZSA-N 468.606 1.733 30 10 JDEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1593768918 JOWVTCGHBRJTSL-UHFFFAOYSA-N 486.548 1.516 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1595550997 KJOFCVPMMOYPPD-VQTJNVASSA-N 459.639 1.596 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCNC(=O)C(C)C 1595602771 QPZDTYSYRZUVKO-KRWDZBQOSA-N 477.610 1.861 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1595701198 XTYDEUCYMNXNOK-MBSDFSHPSA-N 492.598 1.683 30 10 JDEE C=CCOc1cc(OC)ccc1C(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1625566857 LSKJDVASQBZRFB-UHFFFAOYSA-N 451.467 1.851 30 10 JDEE C#CC[C@H](NCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 1642510707 QPEXTHXKMIGTED-NRFANRHFSA-N 456.524 1.782 30 10 JDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)cc(C(=O)OC)c1 1661543794 FSPKNRWOGGYWBZ-CYBMUJFWSA-N 452.348 1.600 30 10 JDEE C=CCN1CC[C@H](N(C)S(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)C1=O 1661659831 QGDHJHRIUHCIET-FHWLQOOXSA-N 451.545 1.071 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 1671479956 DJZHUYPOBAWOTF-OAHLLOKOSA-N 456.532 1.270 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1689828938 STQAQPPZSXKPOR-HRCADAONSA-N 454.597 1.746 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689989052 ARNGCGOKWLRGQH-KURKYZTESA-N 481.619 1.712 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CCCn1cc(CO)nn1 1690003145 DWAXGQGUPOOKBN-UHFFFAOYSA-N 454.332 1.955 30 10 JDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690028199 NKQWNTPJZFCXJY-SFHVURJKSA-N 457.556 1.220 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1690031434 KAVSWBGWMYEDDG-SFHVURJKSA-N 473.986 1.759 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1690119583 KVBBSRJWPILSAE-GOSISDBHSA-N 456.978 1.849 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@](C)(O)CC)CC1 1690144340 VOGMGSBYFFLLBL-QHCPKHFHSA-N 487.630 1.365 30 10 JDEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(=O)N(C)[C@H](C)C1 1690157549 JLNYSUHNJUDAJN-OAHLLOKOSA-N 475.644 1.580 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(C)=O)CC1 1690235789 DVKCYUKBVNNRAL-AYBZRNKSSA-N 468.624 1.317 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccco2)CC1 1690236250 KJEMOLVGERCQJH-SCTDSRPQSA-N 492.602 1.425 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1690659231 NHUISRAXWUAFML-IAGOWNOFSA-N 477.610 1.848 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1690724592 SDGQSEANZWREFA-MSOLQXFVSA-N 499.634 1.503 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccnn2C)CC1 1690733309 ASZYDQLCZVKGRN-HNNXBMFYSA-N 453.638 1.925 30 10 JDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1696586452 CXSIYYYYQIXOPM-GOSISDBHSA-N 460.560 1.220 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1696622970 HWKMBJQFUIBDCY-IBGZPJMESA-N 467.555 1.761 30 10 JDEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)NC(C)C)CC2)CCOC1 1697227707 CQISUIUDHFFSFQ-DEOSSOPVSA-N 467.574 1.269 30 10 JDEE CS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1698308714 CQPUGBRAIMOAFN-UHFFFAOYSA-N 454.556 1.610 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCN1CCCO 1705492938 ZTZFWZQXVMXJHI-PZJWPPBQSA-N 452.607 1.757 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1705517346 UGCJEOUNQBSGLU-PMACEKPBSA-N 490.634 1.464 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1705562205 YVWQIYWKPJTVCP-GOSISDBHSA-N 486.598 1.637 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1705566111 YBUOCCBNTVPMRS-GOSISDBHSA-N 465.539 1.632 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1705570553 OLBPZHNCIFCETF-RXVVDRJESA-N 464.588 1.503 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@H]1C 1705626617 CPFRHAQUMQFOSR-QZTJIDSGSA-N 450.543 1.951 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@@H](S(=O)(=O)NCC)C2)nnc1[C@]1(OC(C)C)CCOC1 1705708011 WDHNHNRBAHMKBM-UGTOYMOASA-N 497.662 1.818 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](c2ccco2)N(C)C)CC1 1705769077 IGADCGXYRBRQQM-HKUYNNGSSA-N 464.592 1.663 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@](=O)C(C)(C)C 1705875603 AAXZEWUWPRKHSJ-OFJJUDJNSA-N 459.638 1.337 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1705893788 GIETZQIMOPFVQQ-SFHVURJKSA-N 489.621 1.900 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1705903361 TXJLVDWVUAPBMY-UYAOXDASSA-N 472.615 1.588 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1705937164 KXCFNRRFQOEUSV-FQEVSTJZSA-N 471.587 1.659 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCN(C)C2=O)CC1 1705939749 LONJQYWIAWBTDE-HNNXBMFYSA-N 456.638 1.256 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)OC(C)(C)C)CCO1 1706048545 CCSCKILZHNJGFK-LJQANCHMSA-N 469.546 1.683 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC(C)(C)C)nc1 1706889487 GASBYRFNESCKGA-GDBMZVCRSA-N 463.564 1.238 30 10 JDEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1711324635 DWPWYUVNSMVDET-VGSWGCGISA-N 472.571 1.126 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCCS1(=O)=O 1722291805 FDXYJOXZHSIJRJ-ZWKOTPCHSA-N 480.635 1.886 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(N(C)C)cc1 1722295154 JIKXZNXYOGXNOA-XLIONFOSSA-N 460.604 1.378 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCCCS2(=O)=O)c1 1722307676 UAJMLNJERASNKU-HXUWFJFHSA-N 498.609 1.424 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2nc(CC)ns2)CC1 1722324564 UNMFXLNAONPQOJ-HNNXBMFYSA-N 466.637 1.432 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](N2CCCC2)C1 1722333279 URYLQAASDVSPQU-OALUTQOASA-N 450.609 1.089 30 10 JDEE C#CCCCn1c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722341338 WJFOQXXFGMIFGS-VGSWGCGISA-N 456.551 1.264 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1722362253 MWLHFQARLJAQOL-HBMCJLEFSA-N 469.567 1.495 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1722366880 SMJKUHOFPQXIOE-INIZCTEOSA-N 461.498 1.531 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(OCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1722366991 LKJGQCNMOKSYPI-ROUUACIJSA-N 484.644 1.156 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1csc([C@@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1722372035 OGTKGWGUUBZKRJ-WBVHZDCISA-N 492.627 1.239 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccn(CC)c1=O 1722394555 WRRTVDCZEILZOU-UHFFFAOYSA-N 477.594 1.931 30 10 JDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCS(=O)(=O)C(C)(C)C)CC1 1722437203 AMCBZEDAWPQZOX-UHFFFAOYSA-N 483.598 1.562 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(C)(=O)=O 1722673354 PLTDVOOOISNCKS-SFHVURJKSA-N 452.602 1.460 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1722700299 DPRAAHIURMGNAB-CQSZACIVSA-N 451.453 1.071 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 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C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1740627907 TZMWEYHVKVYQJE-OALUTQOASA-N 492.623 1.194 30 10 JDEE C#CCN(c1nnc(COCC)n1CCc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1740628746 SUDPNOXWXJHQFH-FQEVSTJZSA-N 459.572 1.642 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1740685746 QNPOIAMNYUERQC-IBGZPJMESA-N 487.630 1.363 30 10 JDEE C=C(Br)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCS(C)(=O)=O 1740743702 BPVALSSIOKRXEN-UHFFFAOYSA-N 484.424 1.842 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(NC(=O)CCC)CC1 1740959906 HAVSVHJDKVXLQW-UHFFFAOYSA-N 495.632 1.639 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1740962412 CGYDBOZGCXUZLG-SFTDATJTSA-N 455.559 1.758 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@H]2C1 1740993410 AFIXMAPKNWOXGV-GOSISDBHSA-N 482.006 1.632 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](O)CC3(CCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1740994421 RAYNGSHEJFAUHE-XMSQKQJNSA-N 468.620 1.662 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCCC2=O)CCO1 1741104016 FHUXPTVZJUFSPS-QFIPXVFZSA-N 479.585 1.951 30 10 JDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1748170736 CDGMBICHVCUXGT-QUCCMNQESA-N 465.558 1.274 30 10 JDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1748730738 QUPCEHGRDUYUHY-UHFFFAOYSA-N 477.616 1.203 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1748818818 HCCUAKUGHJGAOF-HXUWFJFHSA-N 456.616 1.765 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2c(s1)C[C@H](C)CC2 1748858058 LDTBACQAMHYCNR-SJLPKXTDSA-N 488.639 1.313 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC)c1 1748858267 NRGBWAYQFDKWJX-FQEVSTJZSA-N 457.556 1.131 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCOC 1748892454 PAZZXKFRBAESPA-LJQANCHMSA-N 461.563 1.712 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748903172 TWXJXTRJAILTGM-IBGZPJMESA-N 471.583 1.610 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1749655014 AMHQWUJKUGDJPX-PKOBYXMFSA-N 487.630 1.171 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1749676339 MUKMXQCDBFGVJK-UHFFFAOYSA-N 463.542 1.738 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1749677957 QHVGAUQOIYKHMD-IBGZPJMESA-N 470.622 1.819 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1749680168 FNSMCPSZPPDOMW-LJQANCHMSA-N 487.568 1.845 30 10 JDEE C[C@@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1752423267 ACMMNXFLRXMKPX-QGZVFWFLSA-N 458.588 1.551 30 10 JDEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1760189344 HZBBHAIHQVIRGW-MOPGFXCFSA-N 471.583 1.638 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1760192239 GVYANTGKAQYZHS-QKNQBKEWSA-N 491.658 1.882 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1760204099 CKSCIMKBQOYXON-UHFFFAOYSA-N 453.550 1.686 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCOC[C@H]2C)n1 1760253136 VXVJWWZOOXDEPV-VAMGGRTRSA-N 490.630 1.336 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2CCN(CCN(C)C)CC2)CC1 1760268437 RGNJJQIBELGZLK-UHFFFAOYSA-N 480.661 1.523 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(F)c(F)c1 1760295226 QNQNROKWGSYMCR-DENIHFKCSA-N 495.552 1.960 30 10 JDEE C=C(Br)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760305480 HDWIMCYCBPZEAE-CQSZACIVSA-N 498.407 1.098 30 10 JDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1760307432 RJNQYESTIAYAMH-LSDHHAIUSA-N 463.398 1.721 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)CC1 1760322483 TWUBMXULOULHGD-QTDGGUCWSA-N 497.662 1.988 30 10 JDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760341290 QDKCXWGOCXADAU-HKUYNNGSSA-N 452.563 1.490 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1760440500 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1749342886 RBSJGIAOXBUKQV-OTWHNJEPSA-N 453.609 1.565 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(Cl)cn1 1749494581 UMHCMGKQTXXGQU-HNNXBMFYSA-N 456.956 1.361 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1749609114 AKSVMTOGDCVHLJ-SFHVURJKSA-N 457.560 1.483 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2(C)CN(C)C2=O)C1 1749695458 CDPRUWDQWOYPEM-JPYJTQIMSA-N 488.614 1.455 30 10 JDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1749756285 VZBOSIGMLFLPGS-RBUKOAKNSA-N 485.676 1.722 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCNC(=O)C2CCC2)CC1 1749885870 WZQXINFCRNHOJZ-UHFFFAOYSA-N 492.628 1.723 30 10 JDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 1760180210 AITQRAUCGKGCFD-MJGOQNOKSA-N 490.582 1.448 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(C(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1760182286 DWYGWCBCJPESGI-GOSISDBHSA-N 453.524 1.620 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760194970 UFRPYFBCAUYGNI-MSOLQXFVSA-N 459.547 1.912 30 10 JDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760223854 OMVILBHUZAXIOO-GOSISDBHSA-N 494.543 1.996 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(OC)c1 1760234043 RYNDJKZFYQJCTC-LJQANCHMSA-N 463.560 1.136 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(n2)CCCC3)CC1 1760265799 JQFLZKNMRZMVAM-QGZVFWFLSA-N 499.641 1.176 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1760267395 KFLPWIAGVWMIKI-UHFFFAOYSA-N 455.584 1.736 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1760268416 JLTYCIZCGQRLPG-VQTJNVASSA-N 499.566 1.776 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ncc(CC)s2)CC1 1760269072 XEDYBBSRLZTHAT-UHFFFAOYSA-N 452.588 1.906 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1760440636 NPLORFAJNYBQIM-LJQANCHMSA-N 486.602 1.170 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2Cc3ccccc3C2)CC1 1760515746 YNFHDYGYCSRKFZ-UHFFFAOYSA-N 479.629 1.788 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1760525776 QUNWPIDSGXKIJU-UHFFFAOYSA-N 491.571 1.987 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1760526385 MQSFFTGLMCSTOH-IBGZPJMESA-N 452.559 1.977 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(S(C)(=O)=O)cc2)C1 1760535076 LJPWTPOGVUXMST-SFHVURJKSA-N 461.588 1.844 30 10 JDEE CNS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1767853503 CGULAJPJERQUKT-UHFFFAOYSA-N 463.995 1.631 30 10 JDEE CN(C)[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)CCSC1 1768486752 FWGBNTKYLPFVPT-OAQYLSRUSA-N 475.644 1.336 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1772659926 SMTLJIQHFVWQSP-UHFFFAOYSA-N 474.974 1.856 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1772659986 PFXYKDIJZSIJDT-OAHLLOKOSA-N 452.968 1.557 30 10 JDEE CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)NC[C@H]2C(=O)ON1C(=O)c2ccccc2C1=O 1772788876 IKYMBQNGUSAUJM-INIZCTEOSA-N 457.483 1.894 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)C(=O)NCCN2C(=O)CSC2=O)c(C(=O)OCC)c1C 1860761411 UPYIWXARGSVWPU-UHFFFAOYSA-N 483.524 1.326 30 10 JDEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCCC[C@H]2C)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865732586 ORYYIWSREWQQSA-CRAIPNDOSA-N 466.538 1.744 30 10 JDEE CC(C)(C)C(=O)N1CCN(c2ccc(C(=O)N[C@@H](CO)C(=O)Nc3ccc(C#N)cc3)cc2)CC1 1866901918 GZSRSYLHTFUJSF-QFIPXVFZSA-N 477.565 1.982 30 10 JDEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874433481 NALNTBOPRHRBTF-IFRROFPPSA-N 476.500 1.598 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 1890526647 PWTCECBPQHCDPT-ZEBXBMNNSA-N 452.357 1.270 30 10 JDEE Cc1nc(NS(=O)(=O)N2CC(OCc3ccccc3)C2)ncc1B1OC(C)(C)C(C)(C)O1 2133325358 NZUFMKFBTNNPME-UHFFFAOYSA-N 460.365 1.642 30 10 JDEE C=C(CS(=O)(=O)N[C@@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)B1OC(C)(C)C(C)(C)O1 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1286308379 IRWYLCABSZVIPM-QHCPKHFHSA-N 464.530 1.163 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)NCCC)c1 1286308561 BCJDOGMBFNUQSR-SFHVURJKSA-N 451.531 1.202 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1COc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 1286386137 VJQRWRKTOSJYKQ-OTWHNJEPSA-N 490.582 1.469 30 10 JDEE C#CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1 1286390215 YPPCZNXRJYCWIW-MRXNPFEDSA-N 464.617 1.521 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccs1)N1CCOCC1 1286430580 ILCJVIRMZUXCES-PMACEKPBSA-N 487.651 1.778 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2[C@@H]2C[C@H]2CF)n1 1286470665 BEARGZQYNSQEOJ-XYJFISCASA-N 450.540 1.193 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)CC1 1286557833 XZWJFDRQKNWRJB-AABGKKOBSA-N 467.636 1.320 30 10 JDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1286592728 SFEDOHSIJRKVHX-HOTGVXAUSA-N 450.540 1.114 30 10 JDEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1286631110 ZAXWMFCGDXJVQQ-LSDHHAIUSA-N 468.942 1.980 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1286743966 ZHPNOKACEFDLOH-DHIUTWEWSA-N 476.599 1.672 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1286779156 FPFFCRZWWXVVHQ-QGZVFWFLSA-N 489.378 1.660 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286784873 WPVCLTULDFXPSU-LJQANCHMSA-N 467.530 1.023 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1286788481 XHDAHWWPRKCIKF-WMZOPIPTSA-N 479.990 1.714 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(S(C)(=O)=O)CC1 1286789273 DDOIZHIKOVJCER-UHFFFAOYSA-N 456.572 1.666 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1286790331 MSJVWEDTNBHXPX-SFHVURJKSA-N 471.631 1.884 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1286824082 TWDRZEIUBSDTMY-AZUAARDMSA-N 498.657 1.833 30 10 JDEE C[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1288599045 GELSXYFCAJUPAV-VQIMIIECSA-N 473.965 1.311 30 10 JDEE C=CC[C@]1(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 1293902271 BTBWJPJNVDWNQE-WZONZLPQSA-N 450.580 1.382 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1300483448 LQICNCKQNHGVJD-LZNRXBQRSA-N 465.620 1.040 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1300488862 HELHDTAKJHPYKK-GOSISDBHSA-N 484.582 1.794 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1300502000 OVPMHMWNAGYJKV-FQEVSTJZSA-N 476.647 1.149 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCN(CC)C2)CC1 1300712106 MCOWDTUBMFKCLF-GOSISDBHSA-N 464.574 1.233 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1300733111 HUXDEQLSCRYTHN-AVYPCKFXSA-N 484.648 1.358 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1300756602 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1351450333 FCIUCHFHVDBECU-UHFFFAOYSA-N 459.524 1.970 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCC(=O)N(C)C)c1 1358900970 WQDFVBFPSSMYNF-UHFFFAOYSA-N 451.531 1.049 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CC1(N(C)C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1358959335 GVTGQAZYEBNKND-SFHVURJKSA-N 475.590 1.822 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1358960475 FPSUFMAMYXZMFK-LJQANCHMSA-N 455.588 1.896 30 10 JDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)CN1CCN(CC)CC1 1359004969 QLXYSOYEWQVWLO-FQEVSTJZSA-N 462.606 1.654 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC2(CCCCC2)O1 1359019054 JDGIGWNZDUMFJQ-MSOLQXFVSA-N 453.609 1.856 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCS(=O)(=O)NC(C)C)CC1 1359034575 WMUTYPSYIJOQEU-UHFFFAOYSA-N 483.598 1.683 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(OCCOC)CCOCC1 1359070894 XQYDFDZKBYUVJC-GHTZIAJQSA-N 466.604 1.385 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1359228129 URBYZXJTISRUQD-OALUTQOASA-N 485.651 1.988 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nnc(C)s1)C1CC1 1359251122 CZKOIPVYZAXGIC-MRXNPFEDSA-N 467.621 1.559 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1359333113 OGXIKIQTUIEFMH-SJORKVTESA-N 499.684 1.930 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(F)F 1359473537 DLPFHJFHSAUPOR-YOEHRIQHSA-N 484.529 1.857 30 10 JDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 1464033623 YHTDOONFHPBNEW-UHFFFAOYSA-N 456.586 1.827 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)OCC)[C@H](O)c2ccncc2)ccc1F 1470812934 KWUAFKLADRMROR-ZWKOTPCHSA-N 451.476 1.080 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCO[C@H]1C 1504873314 DTFCVYCTQYSSMJ-NVVBAYIOSA-N 454.531 1.294 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1507627768 TYLKMVXNDCSBDU-HOCLYGCPSA-N 484.420 1.955 30 10 JDEE C#CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCC=C)[C@@H]1CCS(=O)(=O)C1 1507629917 XXHPHFCAXMVUBK-HXUWFJFHSA-N 466.571 1.904 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nccc(C(F)(F)F)n1 1507643170 RLUOWNVNQKGDGG-ZDUSSCGKSA-N 455.466 1.013 30 10 JDEE C#CCN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCS(=O)(=O)N(C)C)CC1 1507718096 BDTCASOKRMRELO-UHFFFAOYSA-N 456.616 1.395 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)N(C)C2CC2)CC1 1507733508 BCYUXCOUPIDYAY-QGZVFWFLSA-N 464.574 1.374 30 10 JDEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507845693 NNBOSNXBAOEDQY-GHTZIAJQSA-N 457.531 1.725 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](CCC)C1 1508087331 OVCNWQAYAVJPIN-MRXNPFEDSA-N 451.531 1.500 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1508135062 XNMSUJMIFBLGNZ-UHFFFAOYSA-N 492.627 1.278 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1508135896 CFSHMPVFDZAZTQ-UHFFFAOYSA-N 486.573 1.904 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(NC(=O)COC)CC1 1508137752 QTZAVSAJAWWCOA-UHFFFAOYSA-N 465.551 1.416 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@](C)(CC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508148031 FEERFEMDYLVZLT-LEWJYISDSA-N 456.609 1.925 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1508195461 BVQHRZPLPKJSOU-VQTJNVASSA-N 486.598 1.468 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCOCC1 1509949777 CFIDEBGWAVCUDS-KRWDZBQOSA-N 450.547 1.653 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1520270133 GSNPDVONOCIQNU-UHFFFAOYSA-N 452.957 1.597 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(F)F 1539016795 VOKOGGSTXSTZPC-YOEHRIQHSA-N 469.514 1.719 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1539125441 MEFBIGFBXKRTEL-KRWDZBQOSA-N 494.065 1.865 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(=O)NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 1539211723 KKLYPMRLWMBKOS-GOSISDBHSA-N 483.550 1.490 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN1CCN(C)C(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1539215929 LPIYTKMSRNCUQZ-HXUWFJFHSA-N 485.658 1.301 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1539224028 BVIKQAVKIBFVOK-UXHICEINSA-N 474.583 1.310 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539230692 KAVGDTXKRZYJBZ-FVLCUVFVSA-N 488.610 1.537 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1SCCc2ccccc21 1539266870 UDFXROXWDLQLCI-RTWAWAEBSA-N 485.635 1.714 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CCN2CCSCC2)CC1 1539488142 ILCPHLNRGSALEM-UHFFFAOYSA-N 482.654 1.914 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OCC)CCOC1 1539642601 RDYKSWLBZTWOGS-DCXXXQMHSA-N 454.593 1.535 30 10 JDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1539752136 CYSRKFJYAYHQAP-UHFFFAOYSA-N 467.618 1.991 30 10 JDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1540033319 FEXSYQBPNBSHIT-FQEVSTJZSA-N 452.559 1.713 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCOCC2)n1 1540200594 DSHYLTPZWYJLBB-GOSISDBHSA-N 476.603 1.099 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1540861898 KUEIKDRETSGKFV-SFHVURJKSA-N 487.992 1.468 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@]2(CCOC2)C1 1540864744 JPXFYSUXVCCTFW-QFIPXVFZSA-N 474.587 1.114 30 10 JDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)cc1C 1542430740 FMQMNWZDZPZECS-OALUTQOASA-N 472.571 1.843 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)cc1 1557352373 PWXJLUWBVSQCRE-DHIUTWEWSA-N 453.564 1.714 30 10 JDEE C=CC[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)C1 1559012227 JEUCZLUFMIEOCG-INIZCTEOSA-N 455.602 1.549 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(S(C)(=O)=O)CC1 1587615286 UCKZERVPOHYPPZ-AWEZNQCLSA-N 450.590 1.273 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588045831 RGBOPJOCZGHNLO-TZIWHRDSSA-N 457.600 1.540 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1588059262 KYSLMGWMKAVSHN-MOPGFXCFSA-N 494.614 1.602 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1588064379 HEPIDZVOYNOBMP-GOSISDBHSA-N 458.588 1.053 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOCC(F)F 1588214094 IBFBPXZRXQIFPA-UHFFFAOYSA-N 450.515 1.983 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@]2(O)CCSC2)CC1 1588762904 PGTRKWVRXLBYSG-HSZRJFAPSA-N 473.599 1.594 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC[S@@](=O)CC)CC1 1588806329 NACARNNGNMBFRQ-XIFFEERXSA-N 467.599 1.199 30 10 JDEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1594202445 PXNRUFXXUKVTOG-HSZRJFAPSA-N 492.598 1.923 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1594812473 GPUTYNUOJFMQEN-DLBZAZTESA-N 451.593 1.268 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)[C@@H](F)C1 1595798171 MWGJVRZOLFKCRS-AEFFLSMTSA-N 463.583 1.847 30 10 JDEE C=CCCC[C@H](NC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1)C(=O)OC 1596244811 QEEZMBKRPPAMNY-YSIASYRMSA-N 452.573 1.948 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(C[S@](C)=O)cc1 1611686321 DRKKVWWXFCNSLW-QDEXFTRWSA-N 468.580 1.257 30 10 JDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOC(C)(C)C2)c1 1619135350 FRDLIYPBGNVVFR-HXUWFJFHSA-N 456.547 1.802 30 10 JDEE COCc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)ccc1F 1619654280 AUBNRXBBJXPHOM-DJJJIMSYSA-N 454.503 1.664 30 10 JDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1 1621673174 DLSAUUSNCNZPGL-HSALFYBXSA-N 468.597 1.534 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)CC1 1627015474 RBEKXKGAMRKAJQ-FXBPSFAMSA-N 459.510 1.215 30 10 JDEE CCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 1649601325 DDZAMJXCTKPFQS-MRXNPFEDSA-N 475.623 1.319 30 10 JDEE CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 1654988792 GDBARJUPBHQRNQ-UHFFFAOYSA-N 451.936 1.941 30 10 JDEE C#C[C@@H](CCC)NC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1686921557 NELCGYRZUFQTHG-ZDUSSCGKSA-N 454.936 1.489 30 10 JDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCN(CCN(C)C)CC1 1689964069 FKBMRDPXBKHPLD-UHFFFAOYSA-N 465.650 1.795 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1689982586 QHXLRGVLRQYFOH-ZWOKBUDYSA-N 486.685 1.406 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1689996602 KMSUFOSFNRTIAJ-HXUWFJFHSA-N 479.566 1.332 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1689998113 BUMPDOMFFRQOMM-HCXYKTFWSA-N 452.577 1.055 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(C)n(C)c1=O 1690013165 DKZAEBMXJZBTHU-UHFFFAOYSA-N 453.506 1.320 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1c(F)cccc1F)N(C)C 1690032461 BTJPMRKXLYNUIM-APWZRJJASA-N 478.569 1.932 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(=O)NCC(F)(F)F)CC1 1690120080 FQWIVIIKQCUIGR-UHFFFAOYSA-N 472.475 1.565 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](C(C)C)N2CCCC2)CC1 1690141851 CPCJYNFUASEIFM-OAQYLSRUSA-N 450.591 1.821 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccc2)CC1 1690156279 UOPRVZRKACXKTO-QGZVFWFLSA-N 476.628 1.217 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1690175442 XPTDGSKQHYNQBL-QZTJIDSGSA-N 475.644 1.442 30 10 JDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1690292710 MZSIPCICZAQLEU-UHFFFAOYSA-N 462.551 1.627 30 10 JDEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCS(=O)(=O)NC)CC1 1690402734 NZOAHAIPTKEVNF-UHFFFAOYSA-N 453.590 1.300 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2c1OCCCO2 1690528010 WKJDKOBCOZFJED-GOSISDBHSA-N 463.560 1.443 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1690663015 JLXHPOXPOBVKFC-RTBURBONSA-N 488.614 1.360 30 10 JDEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1)C(=O)OC(C)(C)C 1696811091 BTDPIZYKNNDVCX-UHFFFAOYSA-N 483.573 1.979 30 10 JDEE CN(CCn1cccn1)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1696820993 COONQEKTGUBZFT-UHFFFAOYSA-N 464.530 1.311 30 10 JDEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1698303915 BNMQTBZLUOFYBF-UHFFFAOYSA-N 479.566 1.609 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)C(=O)NCC)c1 1705505145 JVEGGTIVXKNBHD-SFHVURJKSA-N 465.558 1.448 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1705635296 VVPIPXZTGOLRRV-IBGZPJMESA-N 454.575 1.507 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(C)c2)CC1 1705653540 JVCQZJPOUHJIOH-GOSISDBHSA-N 462.645 1.890 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1705661645 HCBGKLKOZKWSJT-GOSISDBHSA-N 488.614 1.884 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cnccn2)CC1 1705664680 XXEUOYNWQGFIAW-UHFFFAOYSA-N 468.612 1.753 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1)C(C)C 1705869194 OUPPKYLXAJIHPS-ZRNYENFQSA-N 493.630 1.993 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(C(=O)N(C)C)c2)C1 1705925663 SHVZNDVXKWNTCM-LEWJYISDSA-N 487.626 1.906 30 10 JDEE C#CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC=C)[C@H]1CCS(=O)(=O)C1 1722360903 CSFKELIVBWHUPZ-IBGZPJMESA-N 452.544 1.514 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1722365293 DBEDAQOSIFMRSY-IRXDYDNUSA-N 451.593 1.309 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1722366042 ODXAJWDTKYXJCT-GOSISDBHSA-N 472.596 1.712 30 10 JDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1722372821 BEBDLFQRIAPZDS-YADARESESA-N 464.574 1.504 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3COc4ccccc4O3)n2CC(=O)N(C)C)n1 1722428768 AHNOHKQNKHMGRR-OAQYLSRUSA-N 479.541 1.362 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc3c(c2)C(=O)NCC3)CC1 1722431778 SHZICQNYSCFBGV-SFHVURJKSA-N 452.559 1.092 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCCC2)CC1 1722444490 YTQLXFMLVIJGPK-UHFFFAOYSA-N 484.626 1.410 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2ncc(C)s2)CC1 1722444778 NTYKVIVOPJNXLQ-ZBFHGGJFSA-N 493.659 1.423 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C(N)=O)cc2)CC1 1722447209 GKRRZQFOJQHVLE-HXUWFJFHSA-N 450.543 1.633 30 10 JDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722458684 QFLZRVIBIOXRNF-CQSZACIVSA-N 458.569 1.584 30 10 JDEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCOC)CC1)c1ccccc1 1722542271 WTEHABFNVNVICQ-NRFANRHFSA-N 487.626 1.873 30 10 JDEE C=CCNC(=O)Cn1c(N2CCS(=O)(=O)C3(CCCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1722703840 JIJSDPBNWLKCDR-JOCHJYFZSA-N 481.619 1.170 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C(N)=O)C1 1722705557 DPUQFEZKJNDTNF-LBPRGKRZSA-N 453.330 1.778 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1722724481 XSRVIDSPLYFOMR-HZPDHXFCSA-N 465.551 1.825 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(N)=O)C1 1722727872 LZIXRCPJXFGYIC-CRAIPNDOSA-N 461.544 1.093 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCN2CCC[C@@H]2CO)CC1 1722794430 RGCTUUFWKBYARW-JOCHJYFZSA-N 481.601 1.634 30 10 JDEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)CC1 1728628316 BHUVFYYVGJFEKB-LJQANCHMSA-N 473.647 1.571 30 10 JDEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(=O)OC(C)(C)C 1729530321 DLTHYFIPCNSDLW-SFHVURJKSA-N 466.546 1.897 30 10 JDEE CO[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)C(C)(C)C 1729879159 GKYYABRYDCIHSV-LZLYRXPVSA-N 467.578 1.667 30 10 JDEE COCCN(CCC#N)c1nnc(-c2ccccc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1730761014 FSYXZFXNOWLXBX-IBGZPJMESA-N 453.952 1.515 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCO[C@H](C)C2)CC1=O 1730798871 GWADEHQUBIYVJI-UYAOXDASSA-N 468.558 1.839 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCO[C@@H]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740615530 GNXFSSZDZJVSFA-SLFFLAALSA-N 477.631 1.736 30 10 JDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1740615840 MEBOFCYESIBYJX-MAUKXSAKSA-N 479.990 1.523 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(F)cc(F)c(F)c2F)CC1 1740705944 OKXRPDIVORQTRB-MRXNPFEDSA-N 478.450 1.800 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(OC)ccc2OC)CC1 1740708235 HXQDRNSUVMUQEV-UHFFFAOYSA-N 480.569 1.432 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(N)=O)c1 1740731017 NHOUYIDYFJJOGZ-HTAPYJJXSA-N 457.556 1.085 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(C(F)(F)F)CC1 1741002286 HASMKNIDTLEDQF-CQSZACIVSA-N 499.581 1.424 30 10 JDEE CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C[C@H]1C 1746375185 FGPBULJUWIJCNP-QZTJIDSGSA-N 472.615 1.675 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1747441437 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474.606 1.601 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccccc2Cl)CC1 1507735663 DQKIDUFBYBTJCH-INIZCTEOSA-N 493.033 1.750 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN(C)C2CCCC2)CC1 1507741543 WQDVLDAGZGXVLT-UNMCSNQZSA-N 472.634 1.842 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NCc1ccccc1 1507771858 FGXLSQNYAVZWOH-AUSIDOKSSA-N 455.584 1.879 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COC)C1 1507798582 OMFDCTZZOOZTHA-RDGPPVDQSA-N 469.608 1.065 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1508075137 VDIUARNZMDYNCE-SFHVURJKSA-N 484.601 1.954 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1508093780 JZRDWWSYDZHWIP-INIZCTEOSA-N 457.510 1.339 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC[S@@](=O)CC)C1 1508115831 DEZBEBCPNYGPKT-MKTHODDLSA-N 466.633 1.788 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CCN(C)C2)C1 1508117436 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C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1749677279 UKSXTJVYWJCOGO-UHFFFAOYSA-N 452.559 1.981 30 10 JDEE C=CCNC(=O)Cn1c(N(C)Cc2ccc3c(c2)OCO3)nnc1[C@@]1(OC(C)C)CCOC1 1749682441 UHTLDSCMSKSGRX-HSZRJFAPSA-N 457.531 1.986 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C(N)=O)nc2)C1 1749698640 VKBUUUDNVOXCHB-WZONZLPQSA-N 456.547 1.642 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCOC2(CCCCCC2)C1 1749731773 JZSMOGXKQAQKGA-QGZVFWFLSA-N 451.593 1.760 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1C1(c2ccccc2)CCC1 1749740556 WGKJOGLXMVJHEL-OAQYLSRUSA-N 487.626 1.690 30 10 JDEE CC(C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1750534478 HVZNEINEJQXZGA-FQEVSTJZSA-N 486.598 1.547 30 10 JDEE CC(C)CN1CCO[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 1750844873 FWTPZFGHSULBDA-HYBUGGRVSA-N 451.575 1.875 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760114508 NYIRNRSMHOJOCH-PXNSSMCTSA-N 476.585 1.995 30 10 JDEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCC[C@@H]1NC(=O)NC1=O 1760173328 RERMRUDZXXJLKE-HNNXBMFYSA-N 461.320 1.774 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1760180775 KVFNYWGLQDFZPG-JKSUJKDBSA-N 498.403 1.468 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(C(=O)NCCC)c1)[C@H]1CCS(=O)(=O)C1 1760186197 BKNJHKGAVVDLTG-RTWAWAEBSA-N 485.610 1.597 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1Cl 1760206018 PDEPJKQGYNIICK-IBGZPJMESA-N 479.965 1.719 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cnn(C)c1 1760211781 MDVMEMPYFFJOBE-UHFFFAOYSA-N 450.572 1.791 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](C)N(CC)CC)CC1 1760254736 ISMNSOZSPUOVOU-FQEVSTJZSA-N 487.674 1.681 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1760281668 PPXMICTWHYKVBC-LJQANCHMSA-N 479.672 1.776 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1COC 1760295647 ULIKTLQSIYMUNO-NZQKXSOJSA-N 473.599 1.798 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)cc1 1760505574 YOXLIPXGWORZSA-FQEVSTJZSA-N 475.615 1.704 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)=C(Br)C1 1760521709 BIFNSYKMFLNQCR-ZDUSSCGKSA-N 458.382 1.361 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(OC(F)F)c1 1760521743 BXZDDPFZRWDGRO-HNNXBMFYSA-N 469.514 1.720 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1760522058 KUNAUEDKLZOWTJ-LJQANCHMSA-N 468.558 1.332 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1760524721 HDQXVLSAAZWFNH-JOCHJYFZSA-N 481.645 1.784 30 10 JDEE Cc1nccnc1N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)CC1 1762375833 GJTVLZUMDQDGPA-UHFFFAOYSA-N 495.613 1.570 30 10 JDEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)C)CC1 1766648147 HKOCMCPGXQGWII-UHFFFAOYSA-N 480.617 1.722 30 10 JDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1768258644 GWNGTYQKWOWIHB-UHFFFAOYSA-N 474.587 1.611 30 10 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CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255619391 OTMIDJRUNVNMIV-ZDUYTPDQSA-N 454.358 1.614 30 10 JDEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2255636809 ZTDHYYGLNPLHAA-UHFFFAOYSA-N 453.370 1.590 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C[C@H](O)C1 2255838413 FXLSFEOUUJQBKN-ZDUSSCGKSA-N 453.370 1.496 30 10 JDEE CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256616086 ZHVYUBVERFUFGT-ZDUSSCGKSA-N 455.386 1.988 30 10 JDEE C[C@H](C[S@](C)(=O)=NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267512564 HHMIFZCSTLCKEX-FZAOIFNZSA-N 470.401 1.871 30 10 JDEE CN(CC1(NC(=O)OC(C)(C)C)CC1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267708007 BUTKLDYPBGHKRG-UHFFFAOYSA-N 470.401 1.397 30 10 JDEE Cc1c(C(=O)NC[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281799899 BMWPYARJPDARHW-PHZGNYQRSA-N 460.384 1.870 30 10 JDEE Cc1c(C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282599295 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IJYZRUZBWBBYTM-WIYYLYMNSA-N 472.615 1.127 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1286380356 BTLYHHRXNPKENR-YYWHXJBOSA-N 454.593 1.106 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cccnc2N2CCOCC2)CC1 1286492764 PJNUVYMZFJRDBP-UHFFFAOYSA-N 467.574 1.060 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1N(C)C 1286522673 NFWIKULNNZMOFG-DENIHFKCSA-N 473.603 1.112 30 10 JDEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286629244 OUKAFVNRWZFUBB-IAGOWNOFSA-N 461.954 1.565 30 10 JDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286710377 VNXWDZWMOGSVRQ-XMMPIXPASA-N 465.558 1.747 30 10 JDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1286714459 PSKGSJGBCAEWDM-AZUAARDMSA-N 462.620 1.802 30 10 JDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCNS(C)(=O)=O 1286717241 SSSBDSKBSQXUAB-UHFFFAOYSA-N 455.610 1.108 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1286789898 IQKCGUZGJCDATH-QZTJIDSGSA-N 489.621 1.832 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1286790039 ZFSFOOUSNPFGSS-UHFFFAOYSA-N 480.592 1.983 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1286821500 NNTXEDCJOBZRHJ-FQEVSTJZSA-N 471.587 1.275 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCc1ccn(C)n1 1288152860 GHZBVGMZGSRVEJ-UHFFFAOYSA-N 465.537 1.730 30 10 JDEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)C1 1294789109 AYRCQJZMALVJTI-HSZRJFAPSA-N 492.628 1.723 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2(O)CCN(C(C)C)CC2)c1 1300332798 OMNGLLKFXRMGRM-NRFANRHFSA-N 493.612 1.521 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCC(=O)NCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1300490907 CSVRDSVGBCJMOW-IBGZPJMESA-N 479.566 1.068 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300496439 RIQDAFHLPNZQEK-PMACEKPBSA-N 477.631 1.938 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OCC)c(OC)c2)CC1 1300706416 LKRYEIRHNGXFGV-UHFFFAOYSA-N 452.559 1.611 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)CN2CCOCC2)CC1 1300725852 FFWMSMRUMRNZET-HXUWFJFHSA-N 482.604 1.942 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)OC(C)(C)C1 1300886616 ZKIJUTKVCCYZCT-YRXWBPOGSA-N 483.635 1.596 30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCNC(=O)C2CC2)CC1 1301072610 ORTLOLPIGITFEU-UHFFFAOYSA-N 458.588 1.878 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1301491689 NSYNRZSVYKSMAN-UHFFFAOYSA-N 463.542 1.194 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cccc(F)c2)C1 1301499546 BVDOMRJPURUYAT-PKOBYXMFSA-N 492.577 1.046 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCc3ccccc32)C1 1301538133 FUFGFVOZPIZDIN-AQOAWAETSA-N 461.588 1.504 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](COC)C1 1301586897 VKVBAFPOEUOQKI-HNNXBMFYSA-N 474.543 1.046 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cccnc1N1CCOCC1 1358941683 SXOXYOPNSJCYLN-UHFFFAOYSA-N 495.609 1.545 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(SC)CCN(C)CC2)CC1 1359029556 ASGCNIGYYCPFRB-XMMPIXPASA-N 476.691 1.901 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(OC)CCCCC2)CC1 1359040419 UIIVLHCJSZXQJY-UHFFFAOYSA-N 456.591 1.829 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1359042241 XTDHOURGBGOQDI-UHFFFAOYSA-N 454.556 1.217 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)[C@H](C)CCC)CC1 1359044309 BULAMYNOPYKVSU-UYAOXDASSA-N 458.607 1.690 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(=O)NCC=C)CC1 1359045849 VWFHPZQMUGCWBI-UHFFFAOYSA-N 454.962 1.790 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCNC(=O)c2cccc(C)c2)CC1 1359046407 QOSFJQSZHJTHAX-UHFFFAOYSA-N 485.592 1.968 30 10 JDEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC(=O)N1CCOCC1 1359055166 UXGOJALGLQQUAP-UHFFFAOYSA-N 465.583 1.792 30 10 JDEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1359058484 FQMAHWUVYXWMHD-GOSISDBHSA-N 451.593 1.892 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1nncn1C 1359189974 ZQRMPCSJDWHKLL-DLBZAZTESA-N 478.623 1.683 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CC1 1359263530 DMZFXLFOSHYCJO-INIZCTEOSA-N 453.590 1.390 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1359296539 MGJDETAMGWTIIA-UHFFFAOYSA-N 452.494 1.512 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359297140 GYYQEWGEXHWMRF-FQEVSTJZSA-N 459.348 1.726 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1359297961 IGRKKHLGUKYCCV-ZWKOTPCHSA-N 470.578 1.720 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1359300844 LDTUURDZGVRBSF-IEBWSBKVSA-N 459.572 1.833 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1359303927 FYGBYYLCLVOJQT-UUOWRZLLSA-N 466.542 1.805 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1359326117 SSBOPSYMTQTNAL-IDVKNYFZSA-N 468.620 1.528 30 10 JDEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359335537 NXTBDBJSYFMFCU-QFIPXVFZSA-N 491.639 1.896 30 10 JDEE COc1ccc(Br)c(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NC(C)C)c1 1504139332 DCNGTQWASXFPQB-CQSZACIVSA-N 463.336 1.970 30 10 JDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1CCS(=O)(=O)CC1 1507621875 YFLOBOUCDCSTKU-UHFFFAOYSA-N 470.643 1.537 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507639093 VPWGBBNROCDGQT-HBMCJLEFSA-N 493.674 1.893 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1507710247 DQLONWKKPQFVRR-HSALFYBXSA-N 497.662 1.538 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC(=O)NC2CCCCC2)CC1 1507718386 DAERAFXRHFYKNQ-VWLOTQADSA-N 472.634 1.913 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1507746920 VCXLDPVWENQRJQ-HOTGVXAUSA-N 486.664 1.700 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOC(C)(C)C1 1507844484 KPTFVCLLCNPPKF-GOSISDBHSA-N 455.625 1.320 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2C1 1507966093 YHJKRLBTHZNGGT-HXUWFJFHSA-N 461.588 1.766 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1508090309 MGLVXSXTNYMUQW-FQEVSTJZSA-N 468.558 1.933 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1508093900 KYXWPJZRQXKEQC-IBGZPJMESA-N 499.591 1.431 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1508139218 DXLGSZKEAZEKIB-UHFFFAOYSA-N 475.619 1.879 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1508144282 STWFXIONTRUTHH-OAQYLSRUSA-N 453.609 1.643 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)O[C@H](COC)C1 1508144503 FEGAFNCCTDZMGB-ZWOKBUDYSA-N 478.571 1.632 30 10 JDEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1517527857 DFYGZCGOCRUDMY-TZIWHRDSSA-N 468.558 1.743 30 10 JDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1539112751 YKGJBKWCHHPUMT-BPQIPLTHSA-N 474.587 1.813 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC=C)[C@H]1CCS(=O)(=O)C1 1539205061 FVSODAQCYCTXEH-KRWDZBQOSA-N 463.585 1.008 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1539206067 MJYYFFIUCLDABW-INIZCTEOSA-N 456.977 1.270 30 10 JDEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1539215976 MHMQENAGKCSKNK-QGZVFWFLSA-N 466.567 1.366 30 10 JDEE C#CCN(c1nnc(CC)n1C[C@H](c1cccs1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539220456 SLJLLCBWWPIOTP-ZWKOTPCHSA-N 463.629 1.602 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1539434841 VPDAAPWCVLKTKB-MZNJEOGPSA-N 471.558 1.266 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCN(CC)CC2)CC1 1539438063 MDPVHWHIUSZALY-UHFFFAOYSA-N 499.685 1.131 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCNC(=O)C(C)C)CC1 1539470501 RVRWHIZIAMAJJO-UHFFFAOYSA-N 490.406 1.774 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCN1CCN(C(C)=O)CC1 1539567533 ZDVZCSUZOMKZQS-HSZRJFAPSA-N 469.615 1.426 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)CC1)C(C)C 1540151395 HJEVJVBIJPFORX-MOPGFXCFSA-N 459.595 1.816 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1540862007 OFECCZOEDKSYIQ-UHFFFAOYSA-N 459.982 1.694 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@@H]1C 1540869315 IYGFHFAROIHRRH-KRWDZBQOSA-N 492.584 1.424 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1540899988 HTVZDXCRACQKIB-UHFFFAOYSA-N 460.604 1.193 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1540901911 UKQKFUPOWURPLB-LJQANCHMSA-N 470.555 1.620 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1540901980 WSXPSVXDNDOQAR-AWEZNQCLSA-N 459.498 1.409 30 10 JDEE CC(=O)N1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1540947088 DLDRVXDQPCEUIU-MRXNPFEDSA-N 473.603 1.655 30 10 JDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCN(C)S(=O)(=O)CC 1545545774 DQPWDMYCUFMIBZ-ROUUACIJSA-N 489.650 1.840 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1587765544 HUDOQKJRUQRUQU-RTBURBONSA-N 464.636 1.020 30 10 JDEE C#CCCCn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1[C@]1(OCC)CCOC1 1587894578 XBXAGVABZOYVOW-QHCPKHFHSA-N 453.547 1.164 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1588029849 MYXSCUHSZBTUGD-IBGZPJMESA-N 494.577 1.999 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1nc(C(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1588055236 UJBYJJPIHGRCIP-CABCVRRESA-N 462.601 1.484 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1588055761 ZAGXYNFIEKLCBA-PWRODBHTSA-N 463.648 1.777 30 10 JDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1 1588228038 HZJHFRCDZRAIRV-INIZCTEOSA-N 451.888 1.111 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)CC1 1588907489 CWZXTACEOXGLLQ-UHFFFAOYSA-N 461.570 1.505 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1588961588 FKKUHXGCGZXWPT-CLOONOSVSA-N 467.570 1.671 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(O)c1 1589070669 VYXXRSULHATYRX-LJQANCHMSA-N 495.627 1.328 30 10 JDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 1593621491 SFEFZVXLPOBLKR-UHFFFAOYSA-N 450.547 1.026 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC2(CCOCC2)C1 1594812769 KDGVJLDMYHNTHQ-KRWDZBQOSA-N 456.634 1.875 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1594963135 QYHAQJVWLIHOLR-HUUCEWRRSA-N 458.585 1.146 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2CCCCCC2)CC1 1595550355 CYOXUDWNKCWBCB-FQEVSTJZSA-N 478.663 1.575 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2cc(C)on2)CC1 1595798155 MLDRVQCGITVLOX-SFHVURJKSA-N 464.592 1.392 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CCOCC2)C1 1595884965 XQVWLNSYURYFDY-GOSISDBHSA-N 485.676 1.927 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H](C)N1CCOCC1 1608523337 FYCRASWGSHEUCR-OAQYLSRUSA-N 494.644 1.721 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CC2CCS(=O)(=O)CC2)cc1 1620351541 ASWBFQVSZCPUTO-NRFANRHFSA-N 458.519 1.996 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccn(Cc3cccc(OC)n3)c2=O)n1 1628182275 GZIJJYGXAUIUDF-UHFFFAOYSA-N 450.499 1.810 30 10 JDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)CNS(=O)(=O)c3ccccc3C(F)(F)F)C2)nc1 1628796595 HMJLIPFTSSGRKI-CQSZACIVSA-N 454.430 1.930 30 10 JDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC(n2cc([C@@H](C)O)nn2)C1 1632463515 GWBYEPWXEWOQIS-LLVKDONJSA-N 450.293 1.827 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)c1 1660874690 NCBXLEFWJFMFGT-UHFFFAOYSA-N 458.452 1.792 30 10 JDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1681285737 SFDDMOHBBMANKT-MOPGFXCFSA-N 451.545 1.613 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1689982782 UMHJZEBXBLGXAZ-OAQYLSRUSA-N 475.578 1.953 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1689999997 OVNYBOGSXWZUCU-QUCCMNQESA-N 471.583 1.486 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1690174659 HPMWBXUPOGPRKI-IRXDYDNUSA-N 467.661 1.678 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(S(C)(=O)=O)cc1 1690205970 DCHGLILTIBLAQV-XMSQKQJNSA-N 476.624 1.819 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1690659284 OZEFPDZXKBKWNN-UHFFFAOYSA-N 479.585 1.898 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=CCC1 1690683682 RMZKIYALCFTAFG-HXUWFJFHSA-N 459.572 1.990 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1690724959 ZPIMCQHQQKRHAE-UXHICEINSA-N 494.639 1.229 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ccccc2C#N)CC1 1692572815 GQJHMIKBVJRQNQ-UHFFFAOYSA-N 457.604 1.757 30 10 JDEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1692597749 DMYQPGVHBPVMFZ-UXHICEINSA-N 465.558 1.891 30 10 JDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CC1 1697713915 GCBGKTNDGMEOEV-JOCHJYFZSA-N 481.601 1.395 30 10 JDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCSCC2)C[C@H]1OC 1698291617 DVHIBUBSKJDKMK-BGYRXZFFSA-N 458.588 1.628 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1705563080 QNLLOHATCVGCEW-QZTJIDSGSA-N 476.555 1.004 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705563731 DJFWPMJAIWDGOU-NRFANRHFSA-N 468.583 1.166 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1705568628 RVVDDPLMONWEDV-QGZVFWFLSA-N 495.552 1.482 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705570257 NIJWZDDHVXBSRO-PZJWPPBQSA-N 456.616 1.623 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1C 1705597556 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C[C@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)[C@@H](C)CN1C(=O)OC(C)(C)C 2282332604 DMNODRJXLPBJAN-GJZGRUSLSA-N 484.428 1.738 30 10 JDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)(C(N)=O)C1 2282472916 DQWHQEJNDIGFFU-UHFFFAOYSA-N 463.315 1.330 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 2282495553 NVKZOVGKKJXSBI-UHFFFAOYSA-N 482.408 1.554 30 10 JDEE C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282510326 XCMXKIYNSOMZIQ-GOSISDBHSA-N 474.436 1.862 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2282534601 HFVLDWUTJZRJOE-GJZGRUSLSA-N 465.331 1.620 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 2282603013 AFTNCBKDRLIAMV-DEOSSOPVSA-N 454.380 1.569 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282628463 NQXSASIDBGDGBJ-ZBFHGGJFSA-N 462.356 1.124 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 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454.555 1.598 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1358964390 YJYIVZRFXHFSGH-VQTJNVASSA-N 471.583 1.159 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358965527 WVRCYWRGNITVRC-UXHICEINSA-N 468.583 1.787 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccccc1OCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1358968108 ZNNTYMMVKOXMDD-IFMALSPDSA-N 487.626 1.745 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1CCS(=O)(=O)NC 1358972392 CRNZUHIHIKSTKE-UHFFFAOYSA-N 470.780 1.983 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1359030155 PBFIOVKDPOXUDB-FDDCHVKYSA-N 458.994 1.893 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1359070068 DOUPECVZRIYFSH-NTKDMRAZSA-N 450.543 1.428 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1359301316 WPNZNOKDAPRJIM-WOJBJXKFSA-N 472.615 1.193 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359326764 JEHRBYSLCRKVDA-INIZCTEOSA-N 461.592 1.213 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1359343397 SDRTYGAILCALSL-MSOLQXFVSA-N 466.633 1.510 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCc3cc(C(=O)OC)ccc3NC2=O)c1 1464646839 IWFGLNKLIKKHCX-IBGZPJMESA-N 457.508 1.621 30 10 JDEE C=CCNC(=O)CNC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1478577416 GJMCIILEWCKVID-AWEZNQCLSA-N 459.366 1.204 30 10 JDEE Cc1ccc(S(=O)(=O)NCCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)s1 1492438066 HGLAZCHQWORSHG-UHFFFAOYSA-N 485.595 1.444 30 10 JDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1499306763 FDFWYCJIHZUFFO-SFTDATJTSA-N 478.601 1.474 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)C(=O)NC 1507543840 XIWPKSMQEMKSQZ-HXUWFJFHSA-N 451.619 1.873 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@@]1(N2CCOCC2)CCSC1 1507670400 KKDLYPSELIBDDT-DEOSSOPVSA-N 450.612 1.935 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCC2(O)CCOCC2)CC1 1507733195 ZNMBUZACTCRAJC-UHFFFAOYSA-N 455.559 1.553 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCS(=O)(=O)NC(C)C)CC1 1507740526 UNLZBKBNPCNCHP-UHFFFAOYSA-N 464.636 1.304 30 10 JDEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](COC)C1 1507751026 BPTFUCGDNUQETB-QGZVFWFLSA-N 468.583 1.893 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2nnc(O)c3ccccc23)n1CCOCCS(C)(=O)=O 1507764734 CIELOMVZUSENFQ-JOCHJYFZSA-N 470.555 1.647 30 10 JDEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CNC(=O)C2)C1)c1ccccc1 1507924838 UQJULZBVDIEBBK-LYHRCORUSA-N 472.615 1.965 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC2CC2)CC1 1508071344 IJRTWNHQVXEWEB-UHFFFAOYSA-N 471.993 1.696 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@@H]2C1 1508103931 FOZWHEFVAXYBPH-SJLPKXTDSA-N 474.587 1.312 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](C(=O)NC)C1 1508142568 ADWFSFDUIJEJAY-KRWDZBQOSA-N 471.587 1.080 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1508144265 OQTXETZMNKGOLT-IBGZPJMESA-N 485.657 1.250 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCCC)CC1 1508145941 RFEJRFVRXOZMFC-ROUUACIJSA-N 474.649 1.567 30 10 JDEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1508167787 PSTSULFKSCUURP-UHFFFAOYSA-N 488.589 1.843 30 10 JDEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1509723992 FRTZPEDEWSNOJA-KRWDZBQOSA-N 460.560 1.267 30 10 JDEE COc1ccc(OC)c(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 1518311926 GPCIVNNIYBHVKQ-PKOBYXMFSA-N 475.571 1.559 30 10 JDEE C=C(Cl)C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O)C(=O)OCC 1531941048 YCJVZMXVSUECSF-QVKFZJNVSA-N 451.907 1.961 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1539225856 QURBRATZPGQIGI-HXUWFJFHSA-N 451.552 1.839 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1539230532 NQVVGHSOEGYIIC-YKSBVNFPSA-N 488.610 1.906 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1539231296 UTHGVRCUPQRTNI-IBGZPJMESA-N 454.556 1.574 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1539231309 QTWWIEKMDMLMQD-IEBWSBKVSA-N 460.556 1.822 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1c2ccccc2C[C@@H]1C 1539296604 ROSCLXXDGJDULB-RBUKOAKNSA-N 454.600 1.802 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1539324228 RCTZEWDQFUSTRM-NRFANRHFSA-N 477.594 1.889 30 10 JDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1539504669 KTALIIHQCKPHBV-UHFFFAOYSA-N 494.629 1.871 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1540902510 LFOLSUFRRANIAJ-DOTOQJQBSA-N 478.571 1.454 30 10 JDEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)[C@H](C)C1=O 1541565696 AUEVWCLJNYINEL-MRXNPFEDSA-N 489.527 1.803 30 10 JDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 1543203531 XCOGWIHHFWGGTQ-MRXNPFEDSA-N 454.549 1.431 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588030204 QSUPCGVPWAMYOH-LJQANCHMSA-N 485.614 1.428 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1C 1588139531 ONNJIKAWKSRHBR-PZJWPPBQSA-N 471.583 1.460 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Cl)ccc1OC 1588139608 QBSXJKBKXKWQTI-LJQANCHMSA-N 477.974 1.394 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1snnc1C 1588194596 XTOWOGWVQTYEDR-UHFFFAOYSA-N 469.596 1.867 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCNC(=O)C(C)C)CC1 1588876808 JZXZZOYJQLJPIQ-IBGZPJMESA-N 473.622 1.878 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1589070003 PVMPSHHMVLBWIL-KSZLIROESA-N 455.650 1.092 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1589070454 TUSYKWLKMMLLLK-ZWKOTPCHSA-N 480.660 1.129 30 10 JDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1589287927 GBDNRGSGHHLXMN-UHFFFAOYSA-N 475.413 1.283 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2ccnn2)CC1 1589403605 AKXFIHZNEKYTCX-OAHLLOKOSA-N 470.397 1.597 30 10 JDEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1594732960 JXJULELYUVXHQM-DLBZAZTESA-N 464.567 1.504 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1595405449 PQGLRTQETIHMJO-SFTDATJTSA-N 474.631 1.898 30 10 JDEE C=CCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1595447221 VNGOVMCOQADPPQ-UHFFFAOYSA-N 454.531 1.323 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1595529711 FCAWYJPVUZZGRO-KDURUIRLSA-N 453.595 1.032 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC(=O)NC)CC1 1595822002 FNEOTKSCHAKMPN-UHFFFAOYSA-N 463.608 1.093 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1617345665 AQUKGJGBNJHWNQ-UHFFFAOYSA-N 495.613 1.605 30 10 JDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1=O 1618482010 HJERBZJSFYZTCM-KRWDZBQOSA-N 477.491 1.891 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@](C)(C#N)C1 1618839677 DHLPJTNLLBMGTF-IBGZPJMESA-N 466.589 1.028 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)c1 1634784627 HLYRFJNRRHHLHR-UHFFFAOYSA-N 459.496 1.137 30 10 JDEE C#CCCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 1654043043 BWPCBYZDVXXDQC-UHFFFAOYSA-N 454.596 1.314 30 10 JDEE C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 1666118147 DWHQHKWBFSFKMU-LBPRGKRZSA-N 455.389 1.636 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccccn2)c1 1689871927 JEDHETBWTVFAMQ-IBGZPJMESA-N 478.578 1.874 30 10 JDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCNS(=O)(=O)Cc1ccon1 1689949942 XMEHKIYHLDIWLP-UHFFFAOYSA-N 466.527 1.512 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689982149 IWTPIGSPJRZBJN-DXIQSLLYSA-N 466.604 1.370 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1689984059 KNXSQKHODGPWSL-RDJZCZTQSA-N 498.030 1.445 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689989997 KTMKOCLVXLMBEX-BRWVUGGUSA-N 486.685 1.339 30 10 JDEE C#CCN(c1nnc(COCC)n1CC1(N2CCC(OC)CC2)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689997320 ZXDTZUJAUWDGHP-HXUWFJFHSA-N 493.674 1.865 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1690113295 FSCMESSBQWKLNF-RUZDIDTESA-N 481.601 1.827 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCOC(F)F)CC1 1690139921 FKRBFFXDSZQXIO-UHFFFAOYSA-N 485.499 1.516 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1690175364 VLSULQLNOUGZPO-JWRCQZCYSA-N 466.654 1.920 30 10 JDEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690226083 WRLIEGAZMTVQIU-UHFFFAOYSA-N 462.352 1.453 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1690252473 FFCODHIHAQYZNG-URVUXULASA-N 460.623 1.929 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1690655185 JXVOOIFFRGXTPD-MRXNPFEDSA-N 461.567 1.167 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690662274 XANHYBJFJURZRZ-INIZCTEOSA-N 455.544 1.261 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1690665931 UGNCKUDHKKCNCY-CYBMUJFWSA-N 477.363 1.685 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCN(C(=O)C(C)C)CC1 1690670427 BGTCRECJOWPKNS-UHFFFAOYSA-N 495.632 1.449 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690673093 NZDFXTFTSLDKHR-UHFFFAOYSA-N 471.949 1.345 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1690678338 SOTJZOHCJOOVHD-ZVDOUQERSA-N 457.579 1.959 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCN(c2cccnn2)CC1 1690729203 JBTFPRIWJDUQTL-UHFFFAOYSA-N 487.561 1.714 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1C[C@H]1CCCCS1(=O)=O 1693746052 HZXSDQXKZGCOLR-IAGOWNOFSA-N 472.619 1.920 30 10 JDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)CCN1CCOC 1694928835 ASNLSQATKQPERX-SNYIIPAISA-N 454.575 1.904 30 10 JDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1CCS(=O)(=O)CC1 1696460588 BKMFFAUQQWGRQB-INIZCTEOSA-N 479.628 1.901 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2c(s1)C[C@H](C)CC2 1705551154 HWNSQIGSRMDMGP-ZBFHGGJFSA-N 464.617 1.310 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccc(CC)cc1)[C@H]1CCS(=O)(=O)C1 1705558792 IJARBTUYFWZPNL-FQEVSTJZSA-N 457.600 1.848 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](OC)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1705559102 QYSRHICXOIKAEO-BZSNNMDCSA-N 451.593 1.202 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705563341 VOFMDNTZIVIGOD-PZJWPPBQSA-N 487.626 1.549 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705565003 FDTIPDAZVIMKSI-AABGKKOBSA-N 476.647 1.511 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1705565692 JGHJZMJBGKQBNG-PZJWPPBQSA-N 485.610 1.939 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(COC)CCC1 1705598309 GZFOXERIWYTOQV-IBGZPJMESA-N 463.604 1.281 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCO2)n1 1705631677 MHCSFIDMLXTOLP-AZUAARDMSA-N 476.603 1.232 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)N2CCOCC2)CC1 1705643141 TXIQREBEFRARSB-UHFFFAOYSA-N 456.566 1.862 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1705895176 WOUKEGATGBMXDD-LJQANCHMSA-N 454.531 1.101 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705907451 NGBODFMCPFKBSA-IBGZPJMESA-N 461.588 1.388 30 10 JDEE CN(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccco1 1710992249 DUVDYMIKQAWGCS-LJQANCHMSA-N 469.571 1.794 30 10 JDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC2CCCCC2)CC1=O 1712486174 FIXRDBCUCFZUFT-UHFFFAOYSA-N 479.585 1.951 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1722332264 HIHRBJLMJDILAL-RBUKOAKNSA-N 480.635 1.157 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1722460507 XTRGBGJHGIKHFO-SFHVURJKSA-N 491.614 1.648 30 10 JDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722460559 YLCUZWJBRVILQA-LJQANCHMSA-N 489.671 1.832 30 10 JDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@H]1C 1722484421 ICOKYBJERZYHCP-CHWSQXEVSA-N 466.427 1.461 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(C2CC2)CC1 1722518077 UEKSMWMZOOZMRG-FQEVSTJZSA-N 466.652 1.888 30 10 JDEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1722548104 YYIZAVKPQWSWGF-UHFFFAOYSA-N 478.344 1.213 30 10 JDEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722596967 CPMUMIUDZKJQQK-LJQANCHMSA-N 476.603 1.503 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NC 1722660462 WGGYKUDUYJIIOC-SFHVURJKSA-N 480.566 1.079 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1722692461 MUXFVMIHKWYGQM-UHFFFAOYSA-N 497.575 1.237 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1722702839 SAKIJAQPTYSJDJ-UHFFFAOYSA-N 496.591 1.912 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722733411 YOZGUAATDXEDPF-NRFANRHFSA-N 482.585 1.857 30 10 JDEE CC(C)[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1723103083 GJWAODYEWRGHNW-QHCPKHFHSA-N 452.563 1.401 30 10 JDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC1CCS(=O)(=O)CC1 1729066539 FQBAYTKQOBFRQJ-UHFFFAOYSA-N 476.578 1.977 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1740624781 KAEGWGLIRQRVNJ-FQEVSTJZSA-N 466.567 1.121 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2cc(C)on2)CC1 1740690219 PXPRXGYVHZBDFD-UHFFFAOYSA-N 453.934 1.961 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOc2cc(C)cc(C)c2)CC1 1740690962 RBOTWZDHZLJHGI-IBGZPJMESA-N 460.604 1.339 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@](C)(O)CCOC)CC1 1740707178 SDHLFIHLMVYUIO-DEOSSOPVSA-N 475.540 1.900 30 10 JDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1740742219 HDKBRHVUWHTYHW-CQSZACIVSA-N 472.413 1.695 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)[C@@H](C)CS(C)(=O)=O)nnc1[C@@]1(OCC)CCOC1 1740767900 RTEQZTNCHKTFGX-TWFHAPMSSA-N 456.609 1.781 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C(=O)NC)CC1 1740951872 PGSJKAYKXLAQOS-UHFFFAOYSA-N 473.965 1.126 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1740959132 LEPOTCISHVGYSS-UHFFFAOYSA-N 450.478 1.025 30 10 JDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)CC(=O)N2CCOCC2)cc1 1740966229 KOOITSHTAWOUFO-UHFFFAOYSA-N 451.531 1.587 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H]1CCOC1 1740987216 CGAZLAUTQXMEBX-KRWDZBQOSA-N 483.616 1.021 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1740988594 JWQNETJIDFBSNN-SFHVURJKSA-N 489.598 1.622 30 10 JDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)N1CCOCC1 1741862138 DKAXHBCVNCNYTJ-MSOLQXFVSA-N 453.547 1.116 30 10 JDEE C[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCNS(=O)(=O)Cc1ccon1 1743111403 DSHVPYQDXJWCLR-INIZCTEOSA-N 471.543 1.825 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1747603045 DSMPLVXCZQIXBG-GOSISDBHSA-N 480.616 1.112 30 10 JDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1748725048 QOPGCXOOFZGZSO-UHFFFAOYSA-N 450.609 1.454 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCNC(=O)C1CCC1)[C@H]1CCS(=O)(=O)C1 1748808856 HCCZBJDTBAEPOV-SFHVURJKSA-N 491.017 1.927 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1748810488 XAIFQHNDYUPOTJ-MSOLQXFVSA-N 461.494 1.868 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1748819045 JEOIPXNNESOFTA-NEWSRXKRSA-N 463.629 1.812 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(C(F)(F)F)c1 1748929887 RSFZHZPHNUVVFM-OAHLLOKOSA-N 472.493 1.533 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1749019944 GOFQRIFLGAPNGZ-UHFFFAOYSA-N 487.674 1.451 30 10 JDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1749031752 IJKXZORITPQEGR-QGZVFWFLSA-N 450.634 1.758 30 10 JDEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749203595 DHEUPWOXDVQVIB-HNNXBMFYSA-N 475.347 1.343 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1749252574 SKVCAJYBDOTGNH-HOTGVXAUSA-N 488.058 1.210 30 10 JDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1749330740 MCPREEUWVAIEQF-IESBNPPRSA-N 456.547 1.859 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749664242 IBOIVJKMXDERKY-JOCHJYFZSA-N 471.949 1.715 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1749680722 OXTHMPFSJAPJKQ-XMMPIXPASA-N 471.558 1.942 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC)CC1 1749690346 QNMRFWQBTITFOU-LJQANCHMSA-N 473.599 1.756 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)NC2CCCCC2)C1 1749713224 QHDPLGFYZJMVIO-HKUYNNGSSA-N 465.620 1.801 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(OC)c(F)c1 1749732561 YXTSIUQKBITAMG-INIZCTEOSA-N 451.524 1.614 30 10 JDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1750980114 CYFJUQANXURPFF-NRFANRHFSA-N 478.601 1.474 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ncn(-c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 1760183528 QRTPDCCDQZMFRG-GOSISDBHSA-N 453.572 1.831 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1760191546 JKPAUJHUANDILG-FQEVSTJZSA-N 468.583 1.997 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC2CCCC2)nc1 1760205509 CNNCMTQNBYNLNU-NRFANRHFSA-N 498.609 1.449 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCC(O)CC1 1760206248 URONENZETRBNTA-JOCHJYFZSA-N 481.622 1.258 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2([S@](C)=O)CC2)CC1 1760254975 RKDDUYOMMRUKDU-MHZLTWQESA-N 451.394 1.702 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCNC(=O)c2cccc(OC)c2)CC1 1760256773 KUEYCAIOZWJMIG-SANMLTNESA-N 496.612 1.513 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@]2(N3CCOCC3)CCSC2)CC1 1760265357 YVZQQEJYYXZJCT-DEOSSOPVSA-N 474.675 1.749 30 10 JDEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760445553 NPCDSCQUPKWAFW-LJQANCHMSA-N 456.547 1.691 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(O)c1)C1CC1 1760476945 LBLDOKQKSMYSBN-IBGZPJMESA-N 463.560 1.528 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)nc1 1760495649 TUMGIKLZKJCXIK-LJQANCHMSA-N 458.588 1.639 30 10 JDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1760506172 NCVVRJMEEUYZCJ-INIZCTEOSA-N 466.995 1.813 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(CC(=O)NCC)CC1 1760521267 ODAHTBHMDNRIOH-UHFFFAOYSA-N 478.557 1.160 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1760522053 KRVBRYHJOPGFAZ-QAPCUYQASA-N 457.510 1.624 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](N3CCCC3=O)C2)cc1 1760530246 MGFGHBJXKHPRJD-HKUYNNGSSA-N 488.614 1.703 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nc(C)c(C)s2)C1 1760543268 OCGHVANRBSIQDE-IAGOWNOFSA-N 482.632 1.514 30 10 JDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1768258150 AEBWQYSDXXQUGP-INIZCTEOSA-N 473.477 1.931 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1769368452 CNDFGKRLFOJCDB-UHFFFAOYSA-N 466.571 1.396 30 10 JDEE COCCCN1C(=O)c2ccc(C(=O)N[C@@H](CO)C(=O)N[C@@H](C#N)c3ccc(C)cc3)cc2C1=O 1867519666 ORYNFOKYJQLVNQ-SFTDATJTSA-N 478.505 1.099 30 10 JDEE C=CCn1cc(OCC(=O)Nc2cc(Cl)ccc2OC)c(=O)cc1CN1CCN(CCO)CC1 1870702739 CVCSNFKUEYLROX-UHFFFAOYSA-N 490.988 1.824 30 10 JDEE Cc1cccc(-n2ncc3c(=O)n4c(nc32)S[C@H](CC(=O)NCC#CCN2CCCC2)C4)c1 1891130286 GFWOTORFVNGDBS-LJQANCHMSA-N 462.579 1.970 30 10 JDEE COc1ccc([C@H]2[C@H](C(=O)N(C)C3CN(c4nccnc4C#N)C3)SCC(=O)N2C2CC2)cc1 1891418730 UDLHPUKXGDUDBX-FCHUYYIVSA-N 478.578 1.852 30 10 JDEE C#CCNC(=O)[C@H](C)[S@@](=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990684532 ZUXGMTVTAVTYOI-XEKSQTQTSA-N 468.531 1.865 30 10 JDEE CC#CC[C@@H](N)C(=O)Nc1c(I)ncnc1I 2008290973 COIYROVBSARXEB-ZCFIWIBFSA-N 456.025 1.365 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](O)C1 2197486622 FCBOIXUXLQQUNC-SBUREZEXSA-N 462.352 1.657 30 10 JDEE CC(C)(C)OC(=O)NC[C@]12CO[C@](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)(C1)C2 2207230469 DQFKJIQRNXMYFL-SZPZYZBQSA-N 460.340 1.788 30 10 JDEE C#CCN(CC(=O)N1C[C@H]2C[C@@H](C1)[C@@H](NC(=O)OC(C)(C)C)[C@H]2CO)C(=O)OC(C)(C)C 2223098908 CCFMCDZPFIKYSF-VUHPKUFZSA-N 451.564 1.837 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC(NC(=O)OCc2ccccc2)C1 2247930833 VKRZMQJHOCUUJV-UHFFFAOYSA-N 455.324 1.302 30 10 JDEE CCc1nc(C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2255802709 CTBOBOARQSCBDR-LBPRGKRZSA-N 455.386 1.620 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255811109 PTRKSEWHUBCXFJ-CYBMUJFWSA-N 453.370 1.808 30 10 JDEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2255837195 LIYKULLSPHMDNK-CYBMUJFWSA-N 453.370 1.808 30 10 JDEE Cn1nc(C(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2267134773 URHXJHOTHPEDLX-MJGOQNOKSA-N 484.362 1.533 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CO1 2267141650 YDUBIEXHDWHOHM-KBPBESRZSA-N 450.345 1.369 30 10 JDEE CC(C)[C@@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)NC(=O)OC(C)(C)C 2267368927 QBCSMBIAIUBRFW-CQSZACIVSA-N 472.417 1.547 30 10 JDEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267493522 JOJPNXXYAHKPSI-LSDHHAIUSA-N 466.413 1.800 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C 2267524348 OPXXXDYWFHPYEE-NRFANRHFSA-N 452.361 1.208 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@H](F)C1 2267871996 RACKRFRAVKVZFI-ZIAGYGMSSA-N 450.320 1.853 30 10 JDEE 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BXQBTQXDHVEJGB-HSZRJFAPSA-N 473.599 1.791 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1540880851 RQNBOFMBJFKIDC-YLJYHZDGSA-N 474.587 1.962 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1540944067 UBJXGEQJXLHQKM-VCGVYRDQSA-N 478.557 1.095 30 10 JDEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1ncccn1 1548372417 DNYLHEIGRUKVOG-QGZVFWFLSA-N 462.432 1.461 30 10 JDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1554400197 FAARNROGEDJVKE-GCJKJVERSA-N 471.587 1.203 30 10 JDEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCCS2(=O)=O)cc1 1554974016 ATSKXGICLONUPH-FQEVSTJZSA-N 464.523 1.343 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Br)s3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1555983820 DFYWWECSWKERNG-JKSUJKDBSA-N 490.380 1.761 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588045829 RGBOPJOCZGHNLO-FPOVZHCZSA-N 457.600 1.540 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1588733464 UDBAAXULNQRWCM-UHFFFAOYSA-N 488.596 1.669 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1589070725 WYZPVDDITQYVLH-LSDHHAIUSA-N 465.567 1.619 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)CCC)CC1 1589493914 JAIFAYDFDIKSNR-HLIPFELVSA-N 482.651 1.755 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1594679932 KHVDUNXCGZHJKY-INIZCTEOSA-N 464.567 1.956 30 10 JDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1595314419 WMKXYYIHZFHELJ-IBGZPJMESA-N 471.993 1.790 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1595593577 GMTCSVURVMVEJO-QHCPKHFHSA-N 454.531 1.274 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(N(C)C)nc2)CCO1 1596672592 BCPCYVWGTSGCDT-QFIPXVFZSA-N 490.568 1.579 30 10 JDEE CC(C)CCN(CCC#N)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(O)CCS(=O)(=O)C1 1606966060 CZMKBAPVFDQSCU-HSZRJFAPSA-N 485.614 1.832 30 10 JDEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1622029051 KLZWXNUAQPABGR-LJQANCHMSA-N 457.508 1.568 30 10 JDEE CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1630164420 GPWPIHBASBWUOY-TZIWHRDSSA-N 470.595 1.769 30 10 JDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@]1(O)C[C@@H](OCC)C1(C)C 1635725737 GLIHCGYSAGZEOV-AQOAWAETSA-N 451.589 1.966 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1689977678 ALONJXNGHITIRI-IAGOWNOFSA-N 451.618 1.427 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC[C@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689978378 UFDYJDZYUOSFBM-KGLIPLIRSA-N 465.498 1.010 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1689982178 JANODJYCDSFFFZ-HXUWFJFHSA-N 499.618 1.613 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCS(=O)(=O)NC(C)C)CC1 1690148457 HYTMKFTZRZKANX-UHFFFAOYSA-N 490.605 1.302 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(O)CCO[C@H]2C)CC1 1690154531 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OFPXXNHRKHSWFY-UHFFFAOYSA-N 472.684 1.578 30 10 JDEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCNS(C)(=O)=O)CC1 1705769523 VGSZGARNFHTASD-QGZVFWFLSA-N 484.623 1.682 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1705898887 BEAUCMICCMHFDE-INIZCTEOSA-N 461.448 1.624 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCOC2)C1 1705904352 MZSMTLWXLOYQAE-GAJHUEQPSA-N 476.578 1.506 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705906790 OVGFKPDMXIQFOB-JOCHJYFZSA-N 475.571 1.183 30 10 JDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1711221502 FBTXIFSNDZWOEB-XWFZLUIHSA-N 458.588 1.743 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1722365147 KUHJIQWPWPMXLV-HXUWFJFHSA-N 470.599 1.293 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1722374948 ICWSQERFMHFWPZ-IBGZPJMESA-N 495.527 1.685 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1722431658 PBAVNIYCCGCTEK-GOSISDBHSA-N 497.625 1.949 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(=O)NC(C)(C)C)CC1 1722434172 LSDBJJGILRYPPH-UHFFFAOYSA-N 472.615 1.409 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(Cl)cc2)CC1 1722437708 PESWDGFGSKKTSJ-LJQANCHMSA-N 479.006 1.068 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@]2(C)COCCO2)CC1 1722445639 UJHZOOXDTNPZDL-DEOSSOPVSA-N 453.543 1.725 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C(C)C)CC2)CC1 1722447445 LELVYYJXWAVFBP-IBGZPJMESA-N 492.646 1.013 30 10 JDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722453690 BZURUPROGRQGKP-INIZCTEOSA-N 450.586 1.952 30 10 JDEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722479864 ILUXQGZTSCZESD-UHFFFAOYSA-N 465.352 1.928 30 10 JDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722534180 LJVWHQXUPHJNHT-REWPJTCUSA-N 467.618 1.845 30 10 JDEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccccc1 1722596703 MTPJQCQOHRPHPY-FSSWDIPSSA-N 487.626 1.881 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1722696970 VSTCJDMUVYOIKS-UHFFFAOYSA-N 452.588 1.983 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1722700621 NZMRRQWOEOANQK-UHFFFAOYSA-N 455.563 1.871 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCN(C3CC3)CC2)C1 1722710689 NKFGPJLDGXHZOH-QFBILLFUSA-N 452.625 1.544 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740619797 LDXWVRPHRKIGAB-JPYJTQIMSA-N 474.583 1.750 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740623849 BVAHFCMBGOJFQT-GOSISDBHSA-N 478.644 1.423 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC2CCOCC2)C1 1740982959 YWCYTFUXOWXEMG-PKOBYXMFSA-N 454.593 1.547 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC1CC1 1741129200 BLTHRHMDXFZRHN-OAHLLOKOSA-N 469.571 1.613 30 10 JDEE CC(C)N1CCC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)C1 1741624354 AIANYWJZILTCJA-UEXGIBASSA-N 483.614 1.173 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)OCCc2sccc21 1748671575 LASKFBMOLLHNMR-WJPUGNRLSA-N 479.628 1.619 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](COC)O[C@H](C)C1 1749032268 AFQIMRRTPKQUFL-SJORKVTESA-N 468.583 1.799 30 10 JDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1749095845 HFICAZHVAOMPNO-UXHICEINSA-N 497.600 1.537 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1749531713 MDRCSXJNUQPCCW-NFBKMPQASA-N 471.583 1.786 30 10 JDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1749606162 NGOMNIPVQOAIOY-CYBMUJFWSA-N 470.958 1.829 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 1749653163 XELAZHZMTTWYFK-NVXWUHKLSA-N 460.510 1.201 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1749669029 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C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740617696 VOKLCPHOHILBQL-LEWJYISDSA-N 485.610 1.306 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1740618102 CDBKUPZKUVIDNJ-BEFAXECRSA-N 484.420 1.834 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740622250 WIDJDMRULYOQSB-SFHVURJKSA-N 458.588 1.359 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1740625555 RESZKSOOZKRMBF-LEWJYISDSA-N 485.610 1.285 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCCN(C)C)c1 1740656449 KBAGEWBPTJFLJO-NRFANRHFSA-N 469.611 1.632 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCOC[C@H]2C)CC1 1740710532 YMEVMXRFZJHTNH-HZEGPAAWSA-N 459.591 1.641 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(CCS(C)(=O)=O)C1CC1 1740752621 YQSURGMLDBFWMZ-LPHOPBHVSA-N 474.587 1.920 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1740843632 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C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](CC)C1 1760566360 RWGUWCLCCOUFHI-CVEARBPZSA-N 461.679 1.862 30 10 JDEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)CC)CC1 1765664093 GOQPUNVWNNTSMN-UHFFFAOYSA-N 454.535 1.059 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N(C)C2CC2)C1 1767252236 HDNOYGVSCSNXBZ-OXQOHEQNSA-N 457.604 1.817 30 10 JDEE COc1ccc(OCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cc1 1768752140 CLTYUHWIIHSCFX-AUUYWEPGSA-N 452.512 1.418 30 10 JDEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCC2=O)CC1)OC 1769257381 FJJOPXOUHIBOHI-OAQYLSRUSA-N 468.558 1.981 30 10 JDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1769547779 BGTGGRLSOHBFTK-IBVKSMDESA-N 495.628 1.737 30 10 JDEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1771326844 BKUUTFRJAWRUOI-PKOBYXMFSA-N 460.560 1.235 30 10 JDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCC(O)CC1 1771543726 FTQOXVGLHIXYBM-SFHVURJKSA-N 450.609 1.157 30 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C=CCC1(NC(=O)[C@@H]2[C@H](O)[C@@H](O)CCN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2080886169 GPFKTJUCEYGMBS-HRCADAONSA-N 455.552 1.399 30 10 JDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2266998502 ZLFJLNWQKBZIBJ-GDBMZVCRSA-N 450.341 1.845 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F 2267206877 MIPGXEJFDHVDQR-GFCCVEGCSA-N 456.295 1.879 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2267370260 JSEDXDOCJBESIW-ZUOKHONESA-N 468.385 1.007 30 10 JDEE Cn1nc(C(=O)NCC2(F)CC(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267547419 KDRHNXXARPNVRR-UHFFFAOYSA-N 452.336 1.845 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C2COC2)C2CN(C(=O)OC(C)(C)C)C2)n1 2282043410 NAACGLJVVDVWFJ-UHFFFAOYSA-N 462.356 1.180 30 10 JDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2282422598 DFLAODAZANUXGK-INIZCTEOSA-N 482.408 1.588 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)n1 2282504516 QASMUJFAJMRXDP-OAHLLOKOSA-N 484.428 1.787 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1CO 2282672247 HCJSOZZIGGFHKR-AEFFLSMTSA-N 461.368 1.729 30 10 JDEE COCCN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2282675239 UWQLXPBGXRCERA-UHFFFAOYSA-N 462.356 1.484 30 10 JDEE CN(Cc1ccccc1)[C@]1(CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCOC1 2282701030 UWEXRPCHIOBCCY-QHCPKHFHSA-N 455.368 1.135 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2283946292 LRNNUDURIGPIMB-UHFFFAOYSA-N 469.294 1.936 30 10 JDEE COc1ccc(C=NNc2nc3c(c(O)nc(=O)n3C)n2C[C@@H](O)COc2ccccc2)cc1OC 2328613646 KYGRKIOZFRQQBB-MRXNPFEDSA-N 494.508 1.739 30 10 JDEE CCOCCCNC(=O)/C(C#N)=c1/s/c(=C/c2ccccn2)c(=O)n1-c1ccc(Cl)cc1 6173882 JNOWFMKLFMODPY-QWXGMBFCSA-N 468.966 1.993 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N(CC)c3ccccc3)c2)CC1 512710771 ZLRFWEXQGLLFHK-UHFFFAOYSA-N 470.595 1.962 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCO3)c(=O)n1-c1ccccc1C#N 604002710 LBSDCJLEVRIAAR-UHFFFAOYSA-N 486.509 1.313 30 10 JDEE CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccc(C#N)cc1F 609231228 OQDWQGVLDCOBTB-GOSISDBHSA-N 453.517 1.095 30 10 JDEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc(O)cc3O)n2N)c(OC)c1 1084258728 MQWGPSJDVGXPHF-UHFFFAOYSA-N 459.488 1.597 30 10 JDEE CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)CCn1cc(C#N)c(O)nc1=O 1150271287 HQXCKWGRARYIIE-HNNXBMFYSA-N 453.282 1.808 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCCC)CC1 1286350343 ZYWADYAZAQGFSF-RTBURBONSA-N 453.609 1.810 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)CN1CCN(CC)CC1 1286366182 WTZKFXRVXVMMSO-FQEVSTJZSA-N 487.674 1.538 30 10 JDEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCNS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1286383241 LSZGVTCQACALKZ-QGZVFWFLSA-N 491.595 1.257 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1286384044 GMWJXAQXGNMGPQ-VQTJNVASSA-N 457.600 1.973 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CC1CCN(CCN(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1286387762 UXTGIYDFSAWIJT-QFIPXVFZSA-N 485.658 1.240 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1286389366 IPNVZZPOTNDGFU-RBUKOAKNSA-N 471.583 1.416 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCC(=O)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 1286392000 HATJHYQJKFGQRW-HKUYNNGSSA-N 457.556 1.438 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC[C@H](C(F)F)N1CCOCC1 1286419503 ZKTBQXCNQPHHAG-GOSISDBHSA-N 471.512 1.744 30 10 JDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(C(N)=O)c1 1286443111 YUETVDUALFVDGX-UHFFFAOYSA-N 451.556 1.845 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNS(C)(=O)=O 1286522524 OOTBFSOUJWETRJ-HSZRJFAPSA-N 483.598 1.777 30 10 JDEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286722744 RSNXOWRHHZNKPE-QGZVFWFLSA-N 485.614 1.969 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1286779963 LPEUKWLEVGXTPE-YLJYHZDGSA-N 469.521 1.961 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(F)F)C1 1286782507 XAPKXIWUQOVWFI-INIZCTEOSA-N 482.557 1.979 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1286787697 YPLLNXVHNFIBGX-MRXNPFEDSA-N 456.551 1.731 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1286821651 RJHWXNYWBLQOHT-MOPGFXCFSA-N 461.563 1.856 30 10 JDEE N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)CC2)c(F)c1 1292589425 CDNYUPIBSZFFFI-PGRDOPGGSA-N 454.477 1.690 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 1295458133 SUIRLBSRLDMATQ-UHFFFAOYSA-N 454.595 1.826 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCOCC1 1300285280 ZTDCFSDYAINRCY-SFHVURJKSA-N 460.604 1.376 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cn2)c1 1300334241 JCBYSNGVUBVEIC-KRWDZBQOSA-N 482.541 1.819 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC[C@H](OC)C(F)(F)F)CC1 1300697643 FYORELRSKTWQIR-SFHVURJKSA-N 489.502 1.915 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(F)c(C)c2)CC1 1300712140 NFHMOVITPSBBQV-INIZCTEOSA-N 476.578 1.350 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1300929105 WSUKPWAJPLSOIC-GJZGRUSLSA-N 458.585 1.194 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1301496574 DFOVXVJENDKLQR-UHFFFAOYSA-N 455.910 1.529 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1301498490 OZPWLULODKPGQX-MRXNPFEDSA-N 457.510 1.006 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1c[nH]c2ccccc12 1303866125 GJRJNWAJCYJQRU-WBVHZDCISA-N 457.560 1.731 30 10 JDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1313557040 BJFPWIDGTKDCET-QFIPXVFZSA-N 492.584 1.926 30 10 JDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1314943692 BNKDDOZLTLVIRH-QHCPKHFHSA-N 453.547 1.463 30 10 JDEE CO[C@@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1315149269 DJDRPJAAASNXBR-IRXDYDNUSA-N 461.592 1.512 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(CCC(C)C)CC1 1358889953 JKEHLKYOHDRHQY-FPOVZHCZSA-N 480.679 1.827 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358955017 CEHNMHAYKRGKMC-WOJBJXKFSA-N 490.605 1.485 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358964688 DURXZIVXTUREGP-ZOKDDAQRSA-N 483.685 1.808 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCOc1ncccc1Cl)[C@@H]1CCS(=O)(=O)C1 1358965757 ASLMWHYKFWROCT-MRXNPFEDSA-N 492.989 1.155 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCSCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358966045 HBNUZFWSNNYFKN-HXUWFJFHSA-N 487.651 1.961 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1358966522 QZRWWBUPBNUMOI-SLFFLAALSA-N 460.604 1.582 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCCN2CCOCC2)CC1 1359037869 ARLPYZHHANEKCC-UHFFFAOYSA-N 471.631 1.137 30 10 JDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)NCC)CC1 1359052439 FTFKPHKDDSHGOS-UHFFFAOYSA-N 466.575 1.139 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1359064150 MEVWUMBWDIAPMR-PZBISTMVSA-N 451.593 1.609 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1359084415 HETQTKQWWLEWHG-CABCVRRESA-N 474.425 1.974 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC)C1 1359099276 LULDJKUMQHRDTM-MKXGPGLRSA-N 469.608 1.207 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1359105129 KKDMLAADGDHGOD-IPJJNNNSSA-N 483.635 1.383 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(SC)CCN(C)CC2)CC1 1359179039 KFCWUMSCUUWJJW-LJQANCHMSA-N 498.719 1.841 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCSC1 1359277495 NOOXCNPZSOJUTO-RXVVDRJESA-N 497.643 1.307 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1359300680 ILPJUZCIYIKJHA-CEXWTWQISA-N 490.605 1.894 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1359305702 KRDACHAPHVFHSO-KOSHJBKYSA-N 492.621 1.972 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(c2ncc(F)cn2)CC1 1359330545 VNOAEUKDYZLIBV-UHFFFAOYSA-N 487.561 1.810 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCCN(c2nc(C)ns2)CC1 1359334660 NFZFHGLKPQECBP-UHFFFAOYSA-N 451.622 1.708 30 10 JDEE CC(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)N1CCOCC1 1359665474 APIFLCXNNUQIAU-IFMALSPDSA-N 481.601 1.787 30 10 JDEE CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1469154986 CELLCUQNIPARGT-WJXXOHKWSA-N 452.602 1.654 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2cccc(CS(N)(=O)=O)c2)cc1 1475973428 IDLPRGHXCLKYEN-UHFFFAOYSA-N 452.558 1.603 30 10 JDEE CCN(CC)CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC1 1501909647 DVPUIRINHAGOAE-JOCHJYFZSA-N 481.601 1.898 30 10 JDEE CCN1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 1502342817 FFPGTEHTXKNSSF-NRFANRHFSA-N 496.708 1.990 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1507589454 XEUQTBRJZDHOEK-QGZVFWFLSA-N 454.618 1.531 30 10 JDEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1507595649 SMFKZHWHIYPVMK-UHFFFAOYSA-N 492.584 1.354 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1cc(C(C)(C)C)no1)[C@H]1CCS(=O)(=O)C1 1507624626 CMQGVIFIABILIO-IRXDYDNUSA-N 479.603 1.963 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507629691 OPIHPFDWVMGECM-AWEZNQCLSA-N 456.446 1.905 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCNC(=O)c1ccc(C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1507631765 SYLKBWZNJJZAPM-SFHVURJKSA-N 484.557 1.777 30 10 JDEE C#CCN(c1nnc(CC)n1C[C@H](c1cccc(C)c1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507633499 GIMQWIVACGMCIA-FGZHOGPDSA-N 471.627 1.849 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1507639119 JMYMRBNDPOULMX-RDPSFJRHSA-N 488.610 1.906 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(N2CCCCC2)c1 1507660061 LPFHGNMHDMTMFG-IBGZPJMESA-N 469.615 1.785 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(F)(F)C2(OC)CCOCC2)CC1 1507727093 NORDDFORTLDIHJ-UHFFFAOYSA-N 477.560 1.726 30 10 JDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC)CC1)c1ccccc1 1507853314 CDPVUPVWAYTNHT-QGZVFWFLSA-N 462.576 1.880 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1508086950 MSCBVUHOJHIXEM-UHFFFAOYSA-N 451.491 1.897 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1508093315 HVOOVDFFVWRLSB-KRWDZBQOSA-N 479.006 1.867 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCn1cc(Br)cn1 1510188983 FDYFOONXCQGOCW-MLGOLLRUSA-N 489.375 1.380 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCS(=O)(=O)CC2CC2)c1 1539039810 ILYXRVJWUHSNGH-UHFFFAOYSA-N 479.566 1.616 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2nc(C)ns2)CC1 1539053385 QVABJCMCVHXYTG-HNNXBMFYSA-N 466.637 1.568 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1539205436 IOYXCKIBYRGGIA-JQVVWYNYSA-N 466.604 1.516 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1539210135 AWUZHWYHSXZDRO-LJQANCHMSA-N 499.618 1.613 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539210218 BVIJWYQBSIYOJN-GOSISDBHSA-N 487.582 1.463 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1539212122 SALJVMNBKVOUQV-KRWDZBQOSA-N 471.539 1.763 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1539213112 VZOPUSFDPMAETC-PCCBWWKXSA-N 469.567 1.495 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2ccc(C)cc2)CC1 1539447151 OVYICUKQQPEAAR-VQTJNVASSA-N 457.600 1.711 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(C)CCO[C@@H]2C2CC2)CC1 1539469913 VROIGZRUNQVVDF-XKDCRVNJSA-N 492.646 1.059 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1539498564 VCXLDPVWENQRJQ-CVEARBPZSA-N 486.664 1.700 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOCC 1539631337 KTJBXHAIXAEKGE-KURKYZTESA-N 457.597 1.065 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3cccc(OC)c3)CC2)nnc1[C@]1(OCC)CCOC1 1540876613 WQXPSAVQURGDFD-DEOSSOPVSA-N 470.574 1.568 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1540902508 LEMIDHIKGUDXED-NRSPTQNISA-N 494.662 1.109 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1540905211 RONVZKXCWYHAHS-UHFFFAOYSA-N 452.625 1.012 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1540908486 XJOMIJWIYZBVKY-QGZVFWFLSA-N 471.587 1.672 30 10 JDEE CCOCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1548065126 BORAMZJKLLYDNG-GOSISDBHSA-N 452.563 1.885 30 10 JDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCOCC2)C[C@H]1C 1555584495 HQHGLNDQVFMGMP-LJQANCHMSA-N 454.575 1.905 30 10 JDEE C=CCCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)C(=O)OC 1558382933 RDSCZXCFNHCNTJ-IBGZPJMESA-N 451.545 1.167 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)Cc1ccccc1 1587638054 AXEJCVZZZKAALK-TZIWHRDSSA-N 474.631 1.591 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1588053299 CELOHNHQQPEHKW-RBUKOAKNSA-N 459.547 1.628 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588064847 QFRWAVCYDAKDPA-PZJWPPBQSA-N 456.616 1.623 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1588065072 SXFVJSHJQOVDNF-SFTDATJTSA-N 456.616 1.765 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1588070075 VVQMLFOZKBPPOW-VQTJNVASSA-N 469.567 1.782 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2OCCC2(C)C)CC1 1588763181 SONIUEDXCHKCAH-HXUWFJFHSA-N 457.600 1.919 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cnn(C)c2C)CC1 1588837555 YDQYRPRHXGVNKX-FQEVSTJZSA-N 484.605 1.432 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@](C)(O)CCOC)CC1 1588892099 XELPLFOPJCVHSL-NRFANRHFSA-N 493.406 1.789 30 10 JDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1589287665 CVFDXFIMVGGQTO-KRWDZBQOSA-N 467.412 1.971 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(S(=O)(=O)CC)CC1 1589483020 MVKMSMFYDQKMEC-SJLPKXTDSA-N 453.609 1.801 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1593690254 JKEPYJJSBCFJJJ-UHFFFAOYSA-N 486.577 1.164 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1595467371 SNJYPLMLTGGFQB-UHFFFAOYSA-N 477.451 1.616 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1595467779 ZNHADWUXFJMLHD-QHCPKHFHSA-N 458.538 1.736 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1595595501 WTIJJIJSHLZLLS-LJQANCHMSA-N 467.530 1.991 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1595812078 MOWCSGZNJCEPJO-UGKGYDQZSA-N 492.690 1.600 30 10 JDEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1595900710 HIXHCKHHVMQGBW-GOSISDBHSA-N 470.599 1.540 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)c2cccn2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 1626966564 HOFKJJIFXMVDTG-UHFFFAOYSA-N 457.575 1.567 30 10 JDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)NC)cn1)C1CCN(C(=O)OC(C)(C)C)CC1 1661066718 WTINWEHNSXXYCX-UHFFFAOYSA-N 451.549 1.856 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCNS(=O)(=O)Cc1ccon1 1689833915 SVAIOZQVHJECDQ-CYBMUJFWSA-N 496.391 1.612 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)c(OC)c1 1689852762 KFIBHLGPICUUMB-KXBFYZLASA-N 482.006 1.974 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCCN2C[C@H](C)O[C@H](C)C2)c1 1689868942 VXJBIUJOUFQWRW-BGYRXZFFSA-N 495.628 1.972 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1689892958 QNCZGOOTFADLNT-QYZOEREBSA-N 451.593 1.277 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1csc(C(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 1689988307 MKVJYMKBHAAXMM-DLBZAZTESA-N 490.655 1.853 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCNC(=O)c2cc[nH]n2)CC1 1690110327 HAXTVDZEUMOGBC-UHFFFAOYSA-N 475.557 1.056 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCC(=O)N(C)C)CC1 1690124274 IHUJDMAEVAJGFY-UHFFFAOYSA-N 465.606 1.076 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCCC(=O)NC 1690241788 XOJBNBZHCSABPC-RXVVDRJESA-N 465.562 1.864 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)C1 1690245234 GBLWVOKUXFRJGP-BJLQDIEVSA-N 465.620 1.466 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1690661796 HPRDKYUDWNBEHI-QGZVFWFLSA-N 491.438 1.554 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1690661992 NUEKDXCDYSBZEP-OAHLLOKOSA-N 472.546 1.330 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](COC(C)C)C1 1690668739 HNOAUODAXABDRW-KRWDZBQOSA-N 481.557 1.124 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1690677084 MLQUXQXXMJXLJN-HXOBKFHXSA-N 478.594 1.726 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2csc(C)c2)C1 1690699398 DUZMUJDIWYGCPQ-ROUUACIJSA-N 467.617 1.811 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCSCC1 1690724527 RDHGVOYRTYHICF-INIZCTEOSA-N 487.648 1.741 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCSCC1 1690724528 RDHGVOYRTYHICF-MRXNPFEDSA-N 487.648 1.741 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2nn(C)c(=O)cc2C1 1690734166 XNZPPWIOLVIPNP-UHFFFAOYSA-N 452.544 1.501 30 10 JDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1694222705 BJYJGFSHULAMFN-VJBMBRPKSA-N 495.628 1.905 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(OCCC)nc1)[C@H]1CCS(=O)(=O)C1 1705558899 LHJQFOGPTOMDPX-SFHVURJKSA-N 474.587 1.275 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705571150 WHCUQMSVCSFCIK-ROUUACIJSA-N 493.580 1.495 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@](C)(O)CCC)CC1 1705634210 NGOKDEUQXADFOQ-QHCPKHFHSA-N 474.631 1.502 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cnn(C)c2)CC1 1705644904 FWERZAGGWPBYKM-HSZRJFAPSA-N 455.563 1.066 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1705667926 ZKBMRRKDTGXKDS-JBYIUTFZSA-N 462.620 1.613 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H](C(F)F)N1CCOCC1 1705717059 BOYHSSXXBUCPMT-DLBZAZTESA-N 461.579 1.939 30 10 JDEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705749036 IRBHTJFTJODIBD-UHFFFAOYSA-N 479.368 1.858 30 10 JDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705805205 BNASFOKNTTUTEW-SFHVURJKSA-N 458.588 1.894 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@H](CNC(C)=O)C1 1705896515 OZHBMCQRXHZZFW-GOSISDBHSA-N 472.615 1.919 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2C2(CCC2)C1 1705930379 LVRONWBQRKYLJK-QGZVFWFLSA-N 493.655 1.931 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cccnn2)CC1 1705933415 GNHOULIBSGCXMK-UHFFFAOYSA-N 474.978 1.711 30 10 JDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OCC(F)(F)F)nc1 1722353056 ROFMOUPPXPZPBV-HNNXBMFYSA-N 457.478 1.828 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1722361207 XWJGNHAXXYWITF-LJQANCHMSA-N 459.572 1.732 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1722362935 XGPJZADQDGIYAE-QGZVFWFLSA-N 487.586 1.229 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1722364938 JOXMYAYSXNEISL-VQTJNVASSA-N 462.547 1.440 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1722542535 COUYUNDWFKTTJA-INIZCTEOSA-N 476.047 1.021 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(C(=O)NC)CC1 1722726891 GSQCTZJGQQKYBM-UHFFFAOYSA-N 470.599 2.000 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCc2ccccc21 1723777732 APYJJLFLJWDNGC-OPYAIIAOSA-N 487.630 1.801 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](N4CCCS4(=O)=O)C3)n2CC(=O)NCC(F)F)c1 1731178570 AYQJXWHQIYNJGI-QGZVFWFLSA-N 493.540 1.202 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2ccc(C)n(C)c2=O)c1 1740564516 PLYWAZMVWXGNGB-FQEVSTJZSA-N 460.538 1.894 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)N(C)Cc1ccccc1 1740610498 CXZBEVGZKRJHDN-CTNGQTDRSA-N 474.631 1.591 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)c(OC)c1Cl 1740611300 ZSCOUBUGGVMHJN-QGZVFWFLSA-N 498.005 1.594 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C/C=C\c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740617794 XKVQNFRKWRYGCZ-YFZQEUPRSA-N 477.612 1.228 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740621949 QPHJKMFEUMXXCV-RBUKOAKNSA-N 473.628 1.670 30 10 JDEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCN(C)CCOC)[C@H]1CCS(=O)(=O)C1 1740622015 SBGVRRQWNSNVPZ-IBGZPJMESA-N 484.626 1.642 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC(F)(F)CO1 1740631060 PBLANUJFLSDJBU-KRWDZBQOSA-N 463.510 1.692 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740677424 VWWJXZFXVFXEGN-QHCPKHFHSA-N 469.542 1.977 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC(=O)NCC=C)CC1 1740693299 XSNMARIIWKFWMH-UHFFFAOYSA-N 452.559 1.798 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCS(=O)(=O)CC)CC1 1740694140 ZUCXSUFTAZKNAS-UHFFFAOYSA-N 466.405 1.898 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCCC[C@H]2C)CC1 1740695738 BYVNALLQHUSJMR-NHCUHLMSSA-N 462.664 1.590 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cnn(CC(C)C)c2C)CC1 1740696000 IXQJPKPYGVRXQD-IBGZPJMESA-N 459.620 1.145 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1740779273 YPVMXKUAFXWFME-SJORKVTESA-N 467.640 1.034 30 10 JDEE C=C(Cl)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1740816644 JYSYPBXCAPCCCJ-OLZOCXBDSA-N 463.898 1.884 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1740876739 WJICYPCDJXJYCM-SFHVURJKSA-N 494.643 1.601 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C)[C@H](OC)C1 1740952513 GZWGJVWSCKBWSK-DOTOQJQBSA-N 475.619 1.710 30 10 JDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1740958241 LZDLFXFNRUZAET-UHFFFAOYSA-N 472.615 1.890 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCO[C@H](C)C2)C1 1740981585 PPTNRXRFWJPIQO-VAMGGRTRSA-N 467.636 1.462 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1740983604 LXPLMTCKQSJXRE-IRXDYDNUSA-N 494.643 1.332 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2c(F)ccc(F)c2C1 1740985973 OQROWQFJMYNJPX-UHFFFAOYSA-N 465.526 1.956 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1740990700 DJWROVXXPNBRSR-TZIWHRDSSA-N 492.690 1.963 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)C(C)C)CC1 1740992359 FXKAXGGCBFZDNS-UHFFFAOYSA-N 475.615 1.783 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOC(C)C)c1 1748692663 KVIGOYOOMBLGCO-SFHVURJKSA-N 459.572 1.661 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(=O)N(C)C)CC1 1748719102 VHPHIXBQBIQSBB-LJQANCHMSA-N 480.635 1.109 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1748809865 PZGZILRBKMDFQA-GOSISDBHSA-N 473.599 1.888 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ncnn1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748823945 FXTKHKGQSDPXSP-GOSISDBHSA-N 455.544 1.070 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCc1ccco1 1748831620 RPPVDDGQZXRUJS-UHFFFAOYSA-N 451.508 1.331 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCCS1(=O)=O 1748906523 GEIHKPUUTGSWCJ-KDURUIRLSA-N 490.630 1.547 30 10 JDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC1(N2CCSCC2)CCCC1 1748969755 ZEIKTLFILFHCSW-UHFFFAOYSA-N 460.648 1.848 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1749014735 MUINMIWYPKFSSX-MOPGFXCFSA-N 480.560 1.104 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1749020504 VUNFJMVTHWEFLA-UXHICEINSA-N 489.690 1.600 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCS1 1749067372 RQZCLHBAYUZGNZ-PWIZWCRZSA-N 453.634 1.889 30 10 JDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749373791 UWGBQGATZJORDX-MRXNPFEDSA-N 455.567 1.535 30 10 JDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N1CCN(CC)CC1 1749483313 ZRGFWUVEEVSGRO-GOSISDBHSA-N 460.652 1.886 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)[C@H](C)C1 1749733752 BIRPOSQECMYEPH-WIYYLYMNSA-N 491.614 1.548 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OCC)CC1 1749736065 ZEGMSYGPSMEPFU-IBGZPJMESA-N 491.570 1.670 30 10 JDEE COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1749837278 DVGAQGOEUXWDOA-QGZVFWFLSA-N 461.592 1.119 30 10 JDEE Cc1cc(C)n(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)n1 1751860411 FPTYIVKUAQQFSY-IBGZPJMESA-N 476.607 1.255 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(S(C)(=O)=O)cc1 1760116019 DKOPQRILCQIRIV-WBVHZDCISA-N 450.586 1.284 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)nc2)c1 1760125618 JGLMUZZVXZTDRE-QGZVFWFLSA-N 481.582 1.696 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1760154111 AHSDKNWRXZFHOR-OAQYLSRUSA-N 469.611 1.793 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1760180879 MKRROFYCQPLTSD-XMSQKQJNSA-N 476.603 1.036 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CCCN(CC)S(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1760185330 VLQUVZYJMNCLMX-IBGZPJMESA-N 493.655 1.552 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CC(=O)N1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1760187102 TZEZYCSIHVCISC-QFIPXVFZSA-N 498.653 1.452 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1760193128 UQBODCCUTAIJDU-OKYOBFRVSA-N 452.577 1.198 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCCC1=O 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C=CCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O 2314413645 CZJSQTBKOZFGIW-CYBMUJFWSA-N 476.605 1.989 30 10 JDEE COc1ccc(OC[C@@H](O)Cn2c(NN=Cc3cccc(O)c3)nc3c2c(=O)n(C)c(=O)n3C)cc1 2327751695 XKEWRPGTROYQOX-KRWDZBQOSA-N 494.508 1.034 30 10 JDEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2343635039 CHXTXQDTOQOONC-HUUCEWRRSA-N 452.336 1.749 30 10 JDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2343638697 HNYXUNPIJYQINL-HIFRSBDPSA-N 452.336 1.749 30 10 JDEE C=C(CS(=O)(=O)N1C[C@H]2C[C@@H](C1)[C@@H](CO)[C@H]2NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2359283583 DQYWPAZBJCODHZ-MLHJIOFPSA-N 486.440 1.957 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccccc3CS(=O)(=O)N3CCOCC3)cc2C1=O 12626802 YSEZWMSYTDHAKG-UHFFFAOYSA-N 483.546 1.561 30 10 JDEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3cccc(OC)c3O)n2N)cc1OC 21319013 BKTUCRSAJXMFFX-LSHDLFTRSA-N 473.515 1.900 30 10 JDEE CC(C)N(CCNC(=O)c1ccc(N=[N+]=[N-])cc1O)c1nc(N)c(C(=O)N=C(N)N)nc1Cl 33754176 VCPUVJLZTHDWOC-UHFFFAOYSA-N 475.901 1.418 30 10 JDEE in-vitro NC(=NO)c1ccc([C@@H](O)Cn2cnc(I)c2I)cc1 402146954 LADYSWKJXXKBBZ-VIFPVBQESA-N 498.062 1.920 30 10 JDEE COC[C@]1(C(=O)O)CN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)CCO1 757487632 UQQSXSYPOPWEPC-SANMLTNESA-N 478.501 1.857 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2C1=O 918812603 QMRQCAVQRXYDRQ-UHFFFAOYSA-N 481.480 1.918 30 10 JDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCCC(=O)Nc2ccc3c(c2)OCO3)n[nH]1 1084603531 VQZOJXGGWVDQRB-UHFFFAOYSA-N 472.531 1.906 30 10 JDEE CC(C)[C@@H](C#N)N1CCN(C(=O)C2(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1136574800 CEIRLCNIMXVBRT-QGZVFWFLSA-N 456.609 1.493 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(c3nc(C)cc(O)n3)CC2)s1 1156577084 BCMBEYGZOXZVOL-UHFFFAOYSA-N 451.574 1.344 30 10 JDEE CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3Cc4cccc(C#N)c4C3)CC2)c1 1171679209 ZPMFMEHCDHMUAJ-UHFFFAOYSA-N 452.536 1.610 30 10 JDEE CNS(=O)(=O)c1ccc(S(=O)(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1C 1208297562 GEUOJNDIDYOBAF-UHFFFAOYSA-N 450.586 1.527 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1286379922 DXMCTIGVWPBNMW-MRXNPFEDSA-N 453.634 1.719 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccco1)N1CCCC1 1286410615 VHCKPXASNLDTMA-PZJWPPBQSA-N 486.598 1.114 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1CCS(=O)(=O)N(C)C 1286458274 OXWXCGRRQHFZAV-UHFFFAOYSA-N 456.547 1.934 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1286484213 GOALYMLPKVMWRR-UHFFFAOYSA-N 468.606 1.762 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCCN2CCCC)CC1 1286489805 CBBPKFJJVHTYEU-LEWJYISDSA-N 469.634 1.850 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1286508970 LIRZQABHSNIJEK-KRWDZBQOSA-N 480.685 1.947 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(SC)CCOCC2)CC1 1286646429 QSPFKAGFVYSSNN-QGZVFWFLSA-N 471.649 1.680 30 10 JDEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1286655703 QSHVLUIAJVQEEB-GOSISDBHSA-N 470.393 1.988 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286796784 NXLJAUFIXWQMKR-RTBURBONSA-N 492.536 1.899 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CC)[C@H](C)C1 1286819144 BMGFIGDUUJGMBG-GOSISDBHSA-N 499.641 1.806 30 10 JDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(CC(=O)NC4CCC(C)CC4)CC3)CC2)o1 1292863821 CMASMNVDXJSAQC-UHFFFAOYSA-N 456.591 1.910 30 10 JDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2(S(C)(=O)=O)CCCC2)cc1 1300295602 DRIAGPYOXMBQDD-LJQANCHMSA-N 475.571 1.952 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1300380764 HRXFPLRJZKWVBC-SFHVURJKSA-N 452.563 1.376 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1300478888 FUJFWPHIMFPTPC-AEFFLSMTSA-N 451.593 1.250 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C(N)=O)cc1 1300574764 JMWKUHJCJPZFTJ-UHFFFAOYSA-N 475.578 1.848 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(=O)NCc2ccco2)CC1 1300688174 BXFRQHCZTPXNKX-UHFFFAOYSA-N 464.526 1.627 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCCS(C)(=O)=O)CC1 1300730860 GCRHOYYCLZSMSQ-UHFFFAOYSA-N 477.562 1.397 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccn(C)n2)CC1 1300731994 JRIRDAZNOUKDFC-WOJBJXKFSA-N 453.591 1.944 30 10 JDEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1301176396 YQVYALRLQDAILD-QGZVFWFLSA-N 475.619 1.854 30 10 JDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1301194055 FJKCECNHLRXAIA-UHFFFAOYSA-N 457.623 1.891 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 1301520689 LWJWIQBPTMIZCA-IRXDYDNUSA-N 475.594 1.744 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCn2cc(Br)cn2)C1 1301538419 HOAZFCWGZMZZQL-UKRRQHHQSA-N 488.412 1.329 30 10 JDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCC(=O)N2CCCCCC2)CCO1 1303008746 ABRCPWLZUKJDFB-KRWDZBQOSA-N 471.587 1.791 30 10 JDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)cc1 1310555766 CBDBXZLERHJKOW-UZLBHIALSA-N 455.540 1.748 30 10 JDEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCCC(=O)NC)CC1 1313924635 HTSSEPYCHUGZSF-LJQANCHMSA-N 452.607 1.805 30 10 JDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)C(C)(C)C)C1CCN(S(C)(=O)=O)CC1 1314681778 FVLBDJSJXVZMLG-UHFFFAOYSA-N 487.630 1.839 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nccs2)c1 1358901874 YZNQUHMNBAETHH-AWEZNQCLSA-N 473.584 1.449 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1(N(C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358964833 IDRKVYKONARQKE-HXUWFJFHSA-N 489.617 1.746 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1358991518 DNWPUNGDLZJHRO-SANMLTNESA-N 473.581 1.595 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@@H](COC)OC)CC1 1359044106 VONXIRDNTNCBPX-QFIPXVFZSA-N 477.569 1.758 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)N(C)Cc2ccccc2)CC1 1359046785 FVVYEYVMKDDGRM-NRFANRHFSA-N 491.640 1.887 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCC(=O)NC2CCCCC2)CC1 1359047679 PCHZVGVYTMVDIN-HXUWFJFHSA-N 456.591 1.934 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1359075774 FONDOTSKVKSUDB-CQSZACIVSA-N 478.413 1.355 30 10 JDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CC)C1 1359084344 FBASYZZJENJFPM-UONOGXRCSA-N 464.386 1.135 30 10 JDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1359131087 HNRWJYCALYSLOA-UHFFFAOYSA-N 483.598 1.980 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCC2)CC1 1359215887 LLVSTZXHHHWMND-IBGZPJMESA-N 452.625 1.642 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCS(=O)CC1 1359223266 FZNMRWFQUKEEIR-UHFFFAOYSA-N 467.617 1.357 30 10 JDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1359230989 KYUBWTHUIXAHNO-ICSRJNTNSA-N 462.620 1.892 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSCCS1 1359272134 LRJMQZRGVOFTOR-HZPDHXFCSA-N 459.663 1.638 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOC[C@H]1C 1359328389 BONGYKRMYFFWGM-OAHLLOKOSA-N 454.574 1.175 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1359332531 ZVQURMFIKPEFKS-INIZCTEOSA-N 459.638 1.302 30 10 JDEE N#Cc1ccc(CN2CC[C@H](NC(=O)CCNS(=O)(=O)/C=C\c3ccccc3)C2=O)cc1 1467706175 FRIVBZXRXFHEIL-MQGIHEMASA-N 452.536 1.756 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)ccc1F 1471292269 YPNCEWBNCXNHJT-HOTGVXAUSA-N 457.524 1.390 30 10 JDEE C[C@H](CC(=O)Nc1ccc(CN2CCN(C)CC2)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1472488482 HLKFTZRSJYMUCD-QGZVFWFLSA-N 455.584 1.890 30 10 JDEE CC[C@H](C)[C@@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1494914927 CPPMMZZMKMYBTR-NYDSKATKSA-N 490.630 1.916 30 10 JDEE CCCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)cn1 1501262302 CLDQHRASOPDTQR-WMZOPIPTSA-N 477.591 1.581 30 10 JDEE CS(=O)(=O)CC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1505126174 BMNGUSJINSJNMS-NRFANRHFSA-N 458.519 1.996 30 10 JDEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1507562135 WEBNOROYXYHOTO-LJQANCHMSA-N 475.619 1.876 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCN(C(C)=O)C2)n1 1507716091 GRHOSZOOWYCDIK-YADHBBJMSA-N 483.617 1.913 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN2CCN(CC)CC2)CC1 1507719280 MPLCGGPCANXIRP-RUZDIDTESA-N 473.666 1.102 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(S(=O)(=O)NC)c1 1507772967 YBVLQNCQCSAXNH-GREBRCKQSA-N 473.599 1.951 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OCC 1507821334 YZVBNMGUZOOOPP-SFHVURJKSA-N 464.592 1.855 30 10 JDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(NC(=O)OC(C)(C)C)COC1)C1CC1 1507988073 PFLLSYZAROAGNA-CQSZACIVSA-N 470.596 1.337 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(COCC)n1CC1(O)CCS(=O)(=O)CC1 1507998566 HDXQCODDEJDFSL-UHFFFAOYSA-N 459.572 1.819 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1508059626 YGCXDJLHKWSFFV-SFHVURJKSA-N 476.607 1.037 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](n3nc(C)cc3C)C2)nnc1[C@]1(OCC)CCOC1 1508097482 INJKWQSKAAZSPC-XXBNENTESA-N 457.579 1.887 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1508136884 WCUXDISUXMTSMT-UHFFFAOYSA-N 482.628 1.958 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1508139656 IJCKYVFFEYTXOB-PMACEKPBSA-N 490.678 1.274 30 10 JDEE C#CCOc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1527893214 ZEZULIJDHMOBCW-UHFFFAOYSA-N 457.552 1.589 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc(-c2cccs2)n1 1539180033 VGESKFFBKLOUKQ-HNNXBMFYSA-N 462.557 1.445 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1539222087 SYIDJIGVLNEEEP-CVEARBPZSA-N 462.601 1.172 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1539224359 FYAWDOHJAQVPOG-RBBKRZOGSA-N 499.637 1.763 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1539225426 NZLRYRNJXIUONT-RTBURBONSA-N 496.559 1.775 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CCCN1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 1539230270 LGEWKSRODREYPG-QFIPXVFZSA-N 485.654 1.537 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCCN1CCOCC1 1539257175 GSEGVUVEGLYBCK-UHFFFAOYSA-N 469.615 1.423 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCNC(=O)C(C)C)CC1 1539434839 VLHVZFLNQWFBPI-UHFFFAOYSA-N 462.396 1.953 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[S@](=O)CC)CC1 1539447134 OONFZAIMXHIJKB-MGBGTMOVSA-N 478.663 1.916 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539622996 JLDBICZOQPCNPJ-VXKWHMMOSA-N 491.596 1.971 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1539729460 PZZHEOKYUQSSGZ-SFHVURJKSA-N 490.586 1.429 30 10 JDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1539812945 TWNJWLFGWLDONU-QFBILLFUSA-N 464.014 1.532 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)S[C@H](C)C1 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C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@@H](C)C2)CC1 1588885394 WJSQMSYGQGMWLM-LJQANCHMSA-N 455.607 1.212 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc([C@H](C)O)cc2)CC1 1588923896 PKBMRDBQCZRZGA-OXJNMPFZSA-N 450.543 1.297 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cnn(CC)c2)CC1 1588961595 FMNJYXKFFWNWNH-UHFFFAOYSA-N 480.598 1.500 30 10 JDEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@H]2C1 1594783853 KHVHQYRHJKNCMU-HXUWFJFHSA-N 474.993 1.975 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)OC)C1 1595536486 BOEGUMLWLWIJNC-CQSZACIVSA-N 451.487 1.286 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1595766841 YRWRYDSVLAHDEP-FUHWJXTLSA-N 474.543 1.511 30 10 JDEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1595871208 JMRFRRALZYBJAO-UHFFFAOYSA-N 469.571 1.808 30 10 JDEE N#CCOc1ccc(CNC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc1 1676907794 CVLWQEKHQNMUCG-UHFFFAOYSA-N 458.496 1.232 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CCS(=O)(=O)NC)c1 1689873766 WBRMVMQRJGZGER-UHFFFAOYSA-N 472.596 1.536 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccsc1)N(C)C 1689966676 YHANFKWZHGMQMJ-SJORKVTESA-N 452.606 1.045 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1689995820 AUGAZRSEOUFZCZ-FQEVSTJZSA-N 492.561 1.807 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCOC2)n1 1690109184 JLZIAHWIJXKMCP-MOPGFXCFSA-N 476.603 1.090 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2OCCN(C)C)CC1 1690130128 AKPNNGKUWBXEIP-UHFFFAOYSA-N 465.602 1.144 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1690155543 LAPYECKDUPXQJS-IRXDYDNUSA-N 478.648 1.150 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690254730 HTFGBZTWDQYBES-NXWNEQKCSA-N 468.620 1.923 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(OCC(N)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690255964 ZEVHGEDRNDTCPI-UTSGNWPNSA-N 477.606 1.771 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1690509207 ZPWMRFYOXZLBPW-IBGZPJMESA-N 480.635 1.501 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1690526936 GMKBAYMSPFPCCI-SJORKVTESA-N 484.623 1.633 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1690658961 FNUNMWZUWMWBNJ-UHFFFAOYSA-N 494.478 1.123 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1690723496 TYHNOYXDEKPXPW-UHFFFAOYSA-N 493.655 1.798 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CC1(CS(C)(=O)=O)CC1 1693745558 FXKQBWLKPNHLGF-MRXNPFEDSA-N 472.619 1.777 30 10 JDEE CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1696475062 CDIFBTVPIQYYJQ-UHFFFAOYSA-N 485.614 1.537 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@]2(O)CCN(C)C2)c1 1705507059 QJJOXPKFDLLFTA-HYBUGGRVSA-N 452.559 1.643 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CC(=O)N2CCOCC2)c1 1705507510 DQCDTPYNJADLIW-UHFFFAOYSA-N 490.568 1.055 30 10 JDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1705520139 JLJRBBIKZHDVBP-UHFFFAOYSA-N 463.586 1.965 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CCn1cc([C@@H]2CCOC2)cn1)[C@H]1CCS(=O)(=O)C1 1705561107 QBUFKFDZCWJKSR-MJGOQNOKSA-N 460.604 1.603 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705568428 NGPNIJMGUMQJSX-TZIWHRDSSA-N 475.590 1.963 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1NC(=O)CC1(C)C 1705607176 SWLBFHMHZCBMKP-SFHVURJKSA-N 458.588 1.570 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)OCCc2sccc21 1705612299 DQCJKYWEXZACAF-LAUBAEHRSA-N 479.628 1.620 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1705653655 MKQGDZLDBQYXHJ-KRWDZBQOSA-N 492.675 1.495 30 10 JDEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705828025 YONSXLIIWIMAQH-UHFFFAOYSA-N 498.584 1.054 30 10 JDEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1705841038 LIFJTQXWBJVCEY-UHFFFAOYSA-N 461.530 1.840 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1705902308 BGNURDWIHNEOBL-KRWDZBQOSA-N 458.588 1.888 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCO[C@H]2C(=C)C)C1 1705926085 YEYOTOVAGSQAPA-YRPNKDGESA-N 481.619 1.374 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(OC)cc2C1 1705935992 HOIUTWNZQCOGAI-KRWDZBQOSA-N 480.612 1.352 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1705936595 URUIQIYXPJHSSG-RBUKOAKNSA-N 464.592 1.183 30 10 JDEE Cn1cc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@@H](C#N)C2)cn1 1711255528 COPPAGSODCQNCG-ROUUACIJSA-N 456.551 1.903 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1722352235 MZOHHHFNRFTRAH-QRVBRYPASA-N 466.652 1.437 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1722460967 AHVATPWXUVXAEG-UHFFFAOYSA-N 461.661 1.770 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1722695286 YQHNDPSSOLJPDI-UHFFFAOYSA-N 476.585 1.253 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722730038 GJHVBZSUYMBGBC-IBGZPJMESA-N 488.614 1.229 30 10 JDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1730730591 FVRUCOIBMSMTJQ-UHFFFAOYSA-N 480.617 1.139 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1740632403 QVCQMDNJMALWRG-KRWDZBQOSA-N 460.531 1.570 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCN(C)C)cc1 1740639430 BKOQEHUFECKXEG-HXUWFJFHSA-N 455.584 1.242 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1740706805 DRZGFNDINYKOPT-HSZRJFAPSA-N 479.629 1.587 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC(F)(F)F)CC1 1740751355 JCOGVMLJSFDMOW-IKGGRYGDSA-N 494.584 1.944 30 10 JDEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740795912 IHTNHYLOMREMQY-UHFFFAOYSA-N 472.615 1.794 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1740863631 BUIHNOWMTZJBFN-IEBWSBKVSA-N 463.608 1.695 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1740899343 LPQFDYUEEWSWPU-IEBWSBKVSA-N 459.572 1.968 30 10 JDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1740948576 OOGGVDCGXAHUNH-SQNIBIBYSA-N 491.618 1.452 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1740959715 DBMOCTMHYTZEKH-HZPDHXFCSA-N 453.421 1.860 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1740994877 YBNKRHLNUZJTCM-QHCPKHFHSA-N 473.599 1.737 30 10 JDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1741001842 CZDSOFSGOXHLSS-SFHVURJKSA-N 495.675 1.644 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCC1 1741801514 BIPUAPYFKNGEBV-ZWKOTPCHSA-N 453.613 1.225 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC(C)C)cc1 1748790228 GLZIATSYYTULRE-FQEVSTJZSA-N 461.588 1.764 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCCC2)nc1)[C@@H]1CCS(=O)(=O)C1 1748802918 UACNVYCKKRMVLI-LJQANCHMSA-N 485.614 1.087 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccccc1 1748892332 NTEMHARGPFRMHX-OAQYLSRUSA-N 455.584 1.707 30 10 JDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1749048849 CRSAAGCKXJBOCJ-CEWLAPEOSA-N 460.648 1.875 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)NCC=C 1749072394 MRTZNCZKZAFMRY-AREMUKBSSA-N 461.614 1.937 30 10 JDEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1749196493 QMJFPIIFZFYJLB-UHFFFAOYSA-N 456.522 1.092 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCOCC1 1749584173 IJPSIPFWBQKTJW-FQEVSTJZSA-N 487.626 1.697 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1749629711 AIHZTCLPXJQYAD-QGZVFWFLSA-N 467.548 1.591 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1749649831 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C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)NCCOC)CC1 1507797103 KLVKRDVYADDQIM-DENIHFKCSA-N 462.639 1.733 30 10 JDEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507987103 OZZNFPCLJAWTGM-VJANTYMQSA-N 453.609 1.829 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1508072691 FOGYVYIKYFNFTK-UHFFFAOYSA-N 483.964 1.811 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1508075009 OEAFAOFHIOPGHK-FXAWDEMLSA-N 485.614 1.521 30 10 JDEE CC(C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCNS(=O)(=O)Cc1ccon1 1509020443 CUGVZWRZIPSYJN-HXUWFJFHSA-N 485.570 1.959 30 10 JDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1516805004 GOEKETPTEOGUHL-OAHLLOKOSA-N 453.590 1.511 30 10 JDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(S(=O)(=O)N(C)C)oc2C)c1 1535253695 XULKKYRTACVKRY-UHFFFAOYSA-N 459.524 1.325 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(CC(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1539203130 NYRFELYHJMPCPD-SJORKVTESA-N 471.649 1.341 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CC(F)(F)C1(OC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1539215621 HDJWEHRGMUIWAS-SFHVURJKSA-N 495.552 1.798 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)Br 1539369946 QIBSNAUONZAFPE-LLVKDONJSA-N 456.313 1.058 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnc(C)s1 1539517910 TXJATXFMHGGGNE-INIZCTEOSA-N 470.646 1.379 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1539640878 BUOOEGUSMKAKJH-UGTOYMOASA-N 488.633 1.749 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2csc(C)n2)CC1 1539848692 QILIEYGDMDQNJC-KRWDZBQOSA-N 452.606 1.775 30 10 JDEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1539873843 FHUPHXMEBIRTNM-JOCHJYFZSA-N 468.620 1.661 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)C 1540135855 BZMKNUNJWPDOPH-SFHVURJKSA-N 480.566 1.031 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCOCC1 1540187069 LEGRGLHEXIQCIV-KRWDZBQOSA-N 450.561 1.550 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncnn2C(C)(C)C)CC1 1547764008 BAMLDLJJQQMGQE-UHFFFAOYSA-N 476.589 1.470 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1587562034 KHLWDDVMFFCWNK-HOTGVXAUSA-N 450.536 1.955 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1587765174 BWYJDWOSDDBAQT-KRWDZBQOSA-N 450.609 1.614 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1587861438 LXDCIFFEJQVSMF-IRXDYDNUSA-N 457.547 1.896 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCCN2CC)CC1 1588899212 MTQAWFNPPOUXMO-NRFANRHFSA-N 498.653 1.799 30 10 JDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1589383003 QVFDNOCVSSFCTH-RDTXWAMCSA-N 475.395 1.633 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1589405322 QLZOUWCMOXPLDD-LJISPDSOSA-N 460.398 1.754 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC=C(COC)CC1 1595544969 OSPSLLCDMXSSCT-UHFFFAOYSA-N 452.563 1.537 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1595562043 MARVBQQVGHIKDL-UHFFFAOYSA-N 451.491 1.512 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C(N)=O)CC1 1595760529 OUWMDHJDCKNIQU-OAHLLOKOSA-N 465.551 1.860 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@](C)(C(=O)NC)C1 1595824239 ZNWRYSDJUUZAAG-QHCPKHFHSA-N 470.599 1.844 30 10 JDEE Cc1nccn1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H](C)C#N 1612448312 IDAPKAVYSPAPFX-MRXNPFEDSA-N 456.576 1.996 30 10 JDEE CCCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)C(=O)NC)c2ccccc2c1=O 1614896853 AGCHXDVFYNNKIW-INIZCTEOSA-N 478.557 1.566 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1680908860 DBXZGQOJAXPOKV-MRXNPFEDSA-N 456.569 1.250 30 10 JDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1682617173 XFLPBAKAJJFRQK-HIFRSBDPSA-N 470.935 1.030 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1CC(=O)N1CCN(c2ccccc2)CC1 1689827277 CIWANDUSAURBMP-VQTJNVASSA-N 454.575 1.809 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCCN2CCOCC2)c1 1689873772 WEPGYOKUWSFEPT-UHFFFAOYSA-N 490.612 1.918 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1689982384 LQYYSSUCBTYEER-VGSWGCGISA-N 492.623 1.457 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1689984384 ONHPGKFAAKHKOP-OAQYLSRUSA-N 480.594 1.750 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1689984846 WWXCGZZEIODNNP-KRWDZBQOSA-N 455.544 1.250 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)CCC)cc1)[C@@H]1CCS(=O)(=O)C1 1689988652 SZVONVSJXDVUJQ-UXHICEINSA-N 498.609 1.643 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689996796 OJZGAOWOVWVHNT-QGZVFWFLSA-N 479.990 1.616 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCSC2)CC1 1690135248 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C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(C(N)=O)CCCC2)CC1 1705651011 GLYFESGPTSLCPL-UHFFFAOYSA-N 494.596 1.877 30 10 JDEE C=C(C)Cn1c(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1705728402 JGGHLVLFEUXIDU-RXVVDRJESA-N 469.608 1.137 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(NC(=O)COC)CC1 1705895306 BHYQQOMVFLMQMG-UHFFFAOYSA-N 494.394 1.080 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cccc(F)c2)C1 1705930098 FHBOXBLYWQAOBP-RDJZCZTQSA-N 485.607 1.622 30 10 JDEE CN1CC[C@](O)(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CC[C@@](F)(C#N)C2)C1 1711275006 ICHZNLRWWXWLEW-DHIUTWEWSA-N 477.585 1.901 30 10 JDEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)C1 1712274658 DWURMCUZGXQULI-QGZVFWFLSA-N 450.503 1.355 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCSCC3)n2CCS(=O)(=O)N2CCSCC2)c1 1712878488 GAEQHGHIRXMAIP-UHFFFAOYSA-N 464.642 1.749 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1722332637 NMTVISHUQCVFAN-AZUAARDMSA-N 481.619 1.046 30 10 JDEE 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466.608 1.026 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1740951154 QRRJLFVJHAFMIP-UHFFFAOYSA-N 480.617 1.954 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1740957253 HKOSHAZNBLQHCN-UHFFFAOYSA-N 465.558 1.915 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1740958947 XNSMYITZZOHOQD-SJLPKXTDSA-N 454.506 1.770 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740964214 LDHSQUHDUSKYSL-FQEVSTJZSA-N 468.558 1.295 30 10 JDEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1741002473 IXNCDOKRJLBRCR-DLBZAZTESA-N 496.634 1.457 30 10 JDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1747656016 FJZZGILAKYJFGI-GOSISDBHSA-N 475.571 1.284 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CCCNS(C)(=O)=O)c1 1748692068 QCBPMNYPABOKPA-UHFFFAOYSA-N 470.555 1.842 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOc1ccc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1748817414 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495.580 1.813 30 10 JDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOCC)cn1CCN1CCOCC1 1870671171 PNDBUNQQTLLXMB-UHFFFAOYSA-N 463.575 1.313 30 10 JDEE C#CCOc1cn(CCCCN2CCCC2)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1871007670 MSJHAOHPCBBQCM-UHFFFAOYSA-N 458.584 1.996 30 10 JDEE COC(=O)c1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 1874273205 BXVUGCXSFZWFSQ-MQEPLNOPSA-N 458.544 1.639 30 10 JDEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)cs1 1889998083 AMDVPVAJXMWQGA-UHFFFAOYSA-N 466.571 1.922 30 10 JDEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)c2c3c(nn2[C@H]2CCS(=O)(=O)C2)CCC3)C1 1891510653 DPLMCKMFMJQNLM-GJZGRUSLSA-N 456.528 1.077 30 10 JDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1ccc(C#CCO)s1 2164498466 UFPZEDHQZHZQDP-HXUWFJFHSA-N 450.513 1.536 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCN=c2ccc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2241031127 OLPOVGKEQWZADY-QGZVFWFLSA-N 481.424 1.639 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2267375178 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CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2282669608 WFYHVYVHGATFAO-DHXZDTOLSA-N 459.352 1.791 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)CO[C@H]2C1 2282674342 JIWHOILCMSHIHD-JQHSSLGASA-N 459.352 1.745 30 10 JDEE C[C@@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2282836251 HOJZJONGTSELHP-HUUCEWRRSA-N 484.428 1.643 30 10 JDEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2285412730 IVIZRCGZMZAANE-INIZCTEOSA-N 484.424 1.882 30 10 JDEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2315697121 NKSXBGGSRGDGJF-CYBMUJFWSA-N 453.370 1.808 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 2362448876 OSQFVCNYBRUSIO-HNNXBMFYSA-N 464.372 1.475 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)n1 2366676117 DKBRMPBNGRRVTQ-DZKIICNBSA-N 482.412 1.396 30 10 JDEE COc1cc(NC(=O)CSc2nnc(N/N=C/c3cnn(C(C)C)c3)n2N)cc(OC)c1 20827708 RKIHFPWNSYNNGX-ODCIPOBUSA-N 459.536 1.963 30 10 JDEE COc1cc2c(cc1OC)CN(C(=O)CSc1nnc(N/N=C/c3cnn(C(C)C)c3)n1N)CC2 20920790 LSDRGQQFAPMABN-PGGKNCGUSA-N 499.601 1.910 30 10 JDEE CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@@H](O)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 22061283 WMJSKWRCHLTCCW-PXGYRYRDSA-N 450.503 1.390 30 10 JDEE in-vitro CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccc(OC)cc2)[C@H](C#N)C(=O)N3)CC1 72444747 NFFTYHOMZHBOGL-IRXDYDNUSA-N 451.483 1.782 30 10 JDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cccc(OC)c2O)[C@@H](C#N)C(=O)N3)CC1 72444758 VGVGJOPQGGZLNT-ZBFHGGJFSA-N 467.482 1.487 30 10 JDEE COc1ccc(/C=N\Nc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@@H](O)COc2ccccc2C)cc1 102426847 NLBSMPGUMUHSFY-GYDXAHSVSA-N 492.536 1.637 30 10 JDEE CC(=O)/C=C/c1ccc(O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1 254582977 JKSURXNGHYFGCH-MLDBKLMFSA-N 492.477 1.751 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC(=O)NCc3ccco3)nnc12 509563742 KPEBOVPQPAFJJS-UHFFFAOYSA-N 452.496 1.348 30 10 JDEE N#C[C@H]1CN(C(=O)c2cc(I)cc(I)c2O)CCO1 701292584 DGXBEODWOGTJBK-QMMMGPOBSA-N 484.031 1.966 30 10 JDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1cccs1 729673293 XPFISNSMSXGOHQ-UHFFFAOYSA-N 463.588 1.891 30 10 JDEE C#CCN(C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1228870914 CLRLHHSGCHOMAC-GOSISDBHSA-N 458.563 1.960 30 10 JDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC1(C(N)=O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1286384856 JSDLTOXHZSLVOS-SFTDATJTSA-N 499.637 1.729 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OCCO)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1286387514 RYQTWMMJNBGIIE-SFHVURJKSA-N 485.566 1.328 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286393704 GBPAGSMUBCFINA-ROUUACIJSA-N 451.618 1.806 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1286395152 ZCECLEOQIIAZTI-LJQANCHMSA-N 451.556 1.232 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCn2cc(Br)cn2)CC1 1286471631 PELAJJLDVZWQRW-UHFFFAOYSA-N 475.395 1.319 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2nnc(C(C)(C)C)s2)CC1 1286490287 JNUDJYUUXMGWCI-OAHLLOKOSA-N 470.603 1.392 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2nc(C)ns2)CC1 1286495521 YHNOFYDZKHYOGT-UHFFFAOYSA-N 460.633 1.757 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)N(C)C)c1 1286515986 AGDBFVILLNCWSZ-OPAMFIHVSA-N 458.588 1.631 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286587468 JUAZNRYMPDKIFF-UHFFFAOYSA-N 496.659 1.537 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1286662960 CIJXSVSRVDPWDG-QZTJIDSGSA-N 473.590 1.939 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(COC)c1 1286727286 OSFQCUIFWVOCCL-GOSISDBHSA-N 453.540 1.567 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1N(C)CCCC1(C)C 1286758839 WLILBHPFRIEGHD-RTBURBONSA-N 466.652 1.910 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1286778356 AOADMKPGCIWZSC-UHFFFAOYSA-N 483.548 1.308 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1286779264 HLOAMPBUPMILAA-CABCVRRESA-N 482.994 1.502 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1286786902 LOPMXAQROGTDTM-UHFFFAOYSA-N 480.451 1.697 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCN2CC)C1 1286810320 POXNLLRABSLDSI-AQNXPRMDSA-N 482.651 1.267 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnn(C)c1C 1286815564 XAALHULKBCBPSS-UHFFFAOYSA-N 492.627 1.628 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2cccn2)C1 1286832555 VSWVPIDFKBYBJT-SJORKVTESA-N 452.606 1.201 30 10 JDEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1290542353 GKIFDVYIOFQLKB-UHFFFAOYSA-N 468.587 1.839 30 10 JDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCOCC1(C)C)[C@H]1CCS(=O)(=O)C1 1295173883 HXTIOPZELVMJOL-FQEVSTJZSA-N 472.615 1.941 30 10 JDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1297969694 BLUWNXNITBQJLN-HXUWFJFHSA-N 465.558 1.513 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)Oc1ccccc1F 1300466358 WZXHYKBLZSTCNO-QFBILLFUSA-N 465.551 1.677 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 1300479084 ICMWTPRSTUMXEK-FQEVSTJZSA-N 485.610 1.837 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H](CC)c2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1300654446 XJSVDYNTAAOFPD-FQEVSTJZSA-N 460.600 1.846 30 10 JDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1300767308 UVKCJKBJKPAWDU-IBGZPJMESA-N 460.629 1.635 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)N(C)C)CC1 1300830292 DVACQFBHKBBUOA-ZDUSSCGKSA-N 477.429 1.492 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1301086016 DPPNCMVPOJZBMG-RBUKOAKNSA-N 498.650 1.928 30 10 JDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1301251280 AWFOKNVQSUJYMK-IBGZPJMESA-N 456.547 1.994 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCS(=O)(=O)C1 1301410429 FYZDZIDJYIQHGD-IAGOWNOFSA-N 468.601 1.443 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1301474579 BKNROFPZYJANBN-KRWDZBQOSA-N 453.547 1.208 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1301577171 FPNYAFVGQKZQFY-QGZVFWFLSA-N 496.611 1.678 30 10 JDEE CS(=O)(=O)CCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1302457915 GBVAYQBUEQFGJA-UHFFFAOYSA-N 466.571 1.292 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1358870200 HVKYSZLLXPXBSO-OKZBNKHCSA-N 471.587 1.588 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCc2cccs2)CC1 1358930590 YGPKRNRBUXHALQ-HXUWFJFHSA-N 492.671 1.451 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358955910 WATQKOTWVTVJQS-AUSIDOKSSA-N 477.631 1.472 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCNS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358963497 JFTJXYZVYRCKCN-SFHVURJKSA-N 479.628 1.082 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCOCC1 1359014954 CORKEZNMGPEJRQ-INIZCTEOSA-N 465.551 1.209 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1359039204 ZMDFNGSIPPYGMR-UGKGYDQZSA-N 455.559 1.672 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccc(C)cc2)CC1 1359045112 XJPFGVZGNBCGDZ-HXUWFJFHSA-N 450.543 1.582 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C 1359057715 GUYVPZJZHXTRHQ-IRXDYDNUSA-N 478.619 1.620 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359295001 LQEYDCVVLGAKNZ-INIZCTEOSA-N 474.363 1.566 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](OCC)C1 1359329112 YYYPEKUPWZNWNH-GOSISDBHSA-N 482.628 1.955 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[S@](=O)C(C)(C)C)CCO1 1359446436 ASLFQQSLDIKUDR-GTJUCTONSA-N 458.588 1.705 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCC(=O)N3CCCCC3)nnc12 1472539112 CFVLIUXFFMBCOT-UHFFFAOYSA-N 454.556 1.841 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(CC)s1)[C@H]1CCS(=O)(=O)C1 1507622580 JURQMJHLILOXBZ-CABCVRRESA-N 485.657 1.187 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1507632802 PUIZGMHTSLDMKA-HOCLYGCPSA-N 462.601 1.118 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1507653668 PXOWBXQOJDDPFM-JOCHJYFZSA-N 481.622 1.510 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCCS1(=O)=O 1507659283 ZADWIQFAHXFEHP-UHFFFAOYSA-N 468.583 1.646 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCNC(=O)C1 1508136027 OSRLRNQGWBBPOR-UHFFFAOYSA-N 463.560 1.278 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1508142337 BRAQILJBNVNYAO-QGZVFWFLSA-N 453.609 1.785 30 10 JDEE CC(C)OCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1509865707 FYIONZPCCSVSCV-KRWDZBQOSA-N 453.551 1.316 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1nc2cccc(Cl)c2n1C 1510187940 BAEMCYOVHILXFP-BLVKFPJESA-N 480.957 1.919 30 10 JDEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)NC(C)C)c1 1510596792 IEQSSKKMMYVQNB-IBGZPJMESA-N 462.576 1.531 30 10 JDEE COC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 1517692119 GWGQOWQEXVWCAZ-IBGZPJMESA-N 451.531 1.997 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1539125381 LQQWLTJCTBLKSX-MJGOQNOKSA-N 492.577 1.606 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1ccc(NC(C)=O)nc1)[C@H]1CCS(=O)(=O)C1 1539211270 KJYWWNBDLOQPGD-IBGZPJMESA-N 494.577 1.982 30 10 JDEE C#CCN(c1nnc(C2CC2)n1Cc1cc(OC)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539216155 OCDVISPSZIUMMU-QGZVFWFLSA-N 460.556 1.856 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539224026 BTVMHRJZYPLEII-HXUWFJFHSA-N 473.599 1.334 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1539229790 IFBYNHHXRIXUJF-IBGZPJMESA-N 464.613 1.125 30 10 JDEE 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C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCS(=O)(=O)NC(C)C)CC1 1286494696 VYLYABKEIYPGFM-UHFFFAOYSA-N 452.625 1.160 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCCS2(=O)=O)C1 1286801443 BLPUQVIFQYLVIH-GOSISDBHSA-N 462.532 1.670 30 10 JDEE CCOCc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1297024882 HSQXGDNVMWZART-NRFANRHFSA-N 488.614 1.936 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(OC)n2)CC1 1300365182 QTKPYDWYAWEOEC-KRWDZBQOSA-N 459.576 1.109 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1300484167 RPPPBBIBUHZZQC-GOSISDBHSA-N 479.628 1.622 30 10 JDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1300770354 UASVEPWQDRAOML-IBGZPJMESA-N 479.566 1.568 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)NC)CC1 1300876473 SWYYNEKDVCOCLJ-SUMDDJOVSA-N 468.624 1.222 30 10 JDEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCS(=O)(=O)CC1 1301416150 CWYIWIKDMCYQGE-UHFFFAOYSA-N 482.628 1.812 30 10 JDEE C=CCNC(=O)Cn1c(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301519274 OKRYEAPKFCKJQB-LUKYLMHMSA-N 498.650 1.609 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC[C@@H](F)C2)C1 1301558248 UPHARDQWZUYHJD-MLHJIOFPSA-N 457.572 1.531 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(CC(=O)N(C)C)CC1 1301588961 MWRAIZPPQDDQKU-GOSISDBHSA-N 453.609 1.815 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1301596448 PJYIOUYVFVJMQQ-OAQYLSRUSA-N 480.679 1.725 30 10 JDEE C=CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1301610012 RLDWYIZGBPELHO-IBGZPJMESA-N 497.625 1.935 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC)[C@H](C)C1 1301612543 ZHZPWDWPIIQGIQ-SJORKVTESA-N 458.654 1.061 30 10 JDEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(=O)NC)CC1)S(C)(=O)=O 1313798663 AENXNZSEXFMKOX-UHFFFAOYSA-N 487.630 1.841 30 10 JDEE CO[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1315149268 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C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1507832168 QNWODCMCJAQTCM-NQIIRXRSSA-N 465.551 1.424 30 10 JDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCS(=O)(=O)N2CCSCC2)CC1 1507897338 HWIDTLVZYIKGFI-OAQYLSRUSA-N 485.676 1.711 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(OCC(N)=O)CC1 1508075753 ANVPEZBRSOGTJY-UHFFFAOYSA-N 491.390 1.789 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCC(N2CCNC2=O)CC1 1508095150 STDUXWQOYBBQRP-UHFFFAOYSA-N 467.574 1.716 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1508135820 MNLAQVOVABOSLM-FQEVSTJZSA-N 472.615 1.289 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1508141776 OIJYZMSCVAASIF-IBGZPJMESA-N 491.589 1.874 30 10 JDEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)cn1 1519182894 FASVVQYGNXGJHU-UHFFFAOYSA-N 464.530 1.003 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)C1=O 1533212164 JYXUJLLKRMJIBJ-LJQANCHMSA-N 455.492 1.273 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1539093985 ISSWUGGHJYXQSV-JKSUJKDBSA-N 454.597 1.747 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1539211813 KZUDWKMVTBFOPD-QGZVFWFLSA-N 453.553 1.652 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1539225114 LVRNJCWHWJAOLU-OAQYLSRUSA-N 467.599 1.794 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1539230907 RJPVRNSKCWCINI-JAXLGGSGSA-N 488.610 1.844 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCS(=O)(=O)c1ccccc1 1539539169 RBZCWQGPXMEJLD-DYESRHJHSA-N 479.628 1.744 30 10 JDEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1539782763 BOLDUOXEOZHYLR-UHFFFAOYSA-N 498.798 1.857 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cn2cccn2)cc1 1540072689 MAHUIVAQPZWNPP-FQEVSTJZSA-N 471.587 1.526 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccnc(C)n2)CC1 1540873152 OZIBJSWSVIEDJZ-UHFFFAOYSA-N 453.576 1.361 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1540874811 SMOHSQSPPMEVCV-OAHLLOKOSA-N 491.390 1.979 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1540880848 RQNBOFMBJFKIDC-FXAWDEMLSA-N 474.587 1.962 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCNS(C)(=O)=O)C1 1540885952 RWLPAAIYFIDCST-KRWDZBQOSA-N 457.560 1.666 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCS(=O)(=O)NC)C1 1540886527 FHXKBNOYCJEARC-OAHLLOKOSA-N 455.968 1.938 30 10 JDEE C#CCC[C@H](O)CNC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 1556348832 CDCFBETYYKBYEK-KBPBESRZSA-N 459.362 1.411 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@](C)(O)c2ccccc2Br)cc1 1568148623 CWEGHFDWWBABMO-IBGZPJMESA-N 451.342 1.998 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1588069581 QSJGFFKMYJKHAV-FQEVSTJZSA-N 473.599 1.627 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1588075063 WQZCDFJOGMUWMF-VAMGGRTRSA-N 481.663 1.402 30 10 JDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1593666770 WMAAEFAUOKQNGY-UHFFFAOYSA-N 459.576 1.019 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(OC(C)C)CC1 1595507186 ZAJGLSHMXLEJHF-UHFFFAOYSA-N 451.535 1.617 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3nc(C)cs3)C2)nnc1[C@@]1(OCC)CCOC1 1595602528 MILXUMGJPNJXOO-IIBYNOLFSA-N 462.576 1.575 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCN(C)C2)C1 1595755240 UGRUWWMTZBJXTQ-UAKAABGRSA-N 476.622 1.897 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccnc2C)CC1 1595776521 BAXVILJYHZDHEE-UHFFFAOYSA-N 478.582 1.843 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1595797991 KUZCFUAYULBFDF-DLBZAZTESA-N 460.622 1.524 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CCc3ccccn3)CC2)c1C#N 1612469885 HJGOHEVJZQQLRY-UHFFFAOYSA-N 462.562 1.294 30 10 JDEE CN(C)c1cccc(Oc2nnnn2[C@@H]2CO[C@H]3[C@H]2OC[C@H]3NS(=O)(=O)c2ccccc2C#N)c1 1613880046 USWJXZSNEKYVMB-UKAVVXHISA-N 497.537 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1.617 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1690130415 FYCGVGSWBUUQKH-JGCGQSQUSA-N 454.600 1.083 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CC1 1690140262 SJLKYTXSMDTSCV-UHFFFAOYSA-N 455.469 1.164 30 10 JDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1690227641 DGUIMCYMTIIWGX-GDBMZVCRSA-N 453.385 1.827 30 10 JDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1690273196 IMFQBQRLTHAYED-UHFFFAOYSA-N 472.531 1.142 30 10 JDEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(=O)NCC(F)F)CC1 1690402578 HTTIETXHPFFBFO-UHFFFAOYSA-N 482.557 1.979 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(CCCO)CC1 1690668605 BKLDFIKRUPLKRY-UHFFFAOYSA-N 479.585 1.966 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCc2ccccc21 1690671166 PYOISMINTUACKP-RBUKOAKNSA-N 474.587 1.037 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1690671498 XGFLXNSOWZMQMA-IXDOHACOSA-N 490.561 1.809 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1690675038 ODXUFPPGSNMIPC-UHFFFAOYSA-N 458.592 1.103 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1690723059 GGVSSOXGGGASJB-QGZVFWFLSA-N 469.608 1.876 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1690731367 JJNHDGMDAYUZRS-XWSJACJDSA-N 453.609 1.276 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2cc(OC)ccc2n1C 1705494562 BYRBIDOCNJMYCE-HNAYVOBHSA-N 487.586 1.013 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705562149 YRDITIXDSIRDQT-KSZLIROESA-N 472.571 1.367 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 1705564407 BZWLCRCPVISCIH-IRXDYDNUSA-N 450.511 1.930 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(OC2CCCC2)c1 1705612753 OMCULDSZAAITOZ-FQEVSTJZSA-N 488.614 1.835 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CCN(C)C(C)(C)C2)CC1 1705633916 BRDGQOCWEXRTTE-UHFFFAOYSA-N 481.645 1.744 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)N(C)C)CC1 1705645941 KUFIEGHYGKNXFQ-KRWDZBQOSA-N 454.575 1.878 30 10 JDEE C=C(Br)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705680482 BRJYEMVYFCJQAF-HIFRSBDPSA-N 493.337 1.613 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCN(c2ccncc2)CC1 1705844287 ZHVQYRJEFQAMQW-LJQANCHMSA-N 459.620 1.410 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1705904901 BVYUFQNSSWMPEK-HOOSLVGPSA-N 455.559 1.952 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1705935939 HBMMIMWFWFANEV-OALUTQOASA-N 480.635 1.703 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](C(=O)OC)C1 1705936731 XEEGDEFPWPRBOE-YJBOKZPZSA-N 462.528 1.391 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1705937406 SMEKQXMNQUZACH-UHFFFAOYSA-N 486.598 1.246 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1705939218 UVWFWXYZCVMSPL-DODZYUBVSA-N 465.620 1.512 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1705947085 ZOIPZYJEIHGITL-BZSNNMDCSA-N 471.649 1.393 30 10 JDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1706238059 FUAKLABLUVZBJV-HXUWFJFHSA-N 465.558 1.417 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1722372386 VQOLRWHJZSTOKG-OXQOHEQNSA-N 451.618 1.313 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1722384892 ZKOPPCGBFMXBTH-IAGOWNOFSA-N 454.552 1.633 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCOCCS(C)(=O)=O 1722388498 ZQBMRDGBAYVYBE-SFHVURJKSA-N 479.603 1.484 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1722440706 CGHUDMNFNSRBBI-SFHVURJKSA-N 461.563 1.576 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722588182 MJEUYEFRPZRTMA-JKSUJKDBSA-N 459.638 1.301 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCN(Cc2ccccc2)C1 1722685267 BHTFUOADRGTBPW-RTWAWAEBSA-N 474.631 1.755 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1722712217 NBESEBDKEXVSLT-KRWDZBQOSA-N 477.616 1.808 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(Cn2cccn2)CC1 1722724641 BWYDQXOPKFNIIJ-UHFFFAOYSA-N 461.592 1.228 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(C)C)C(=O)C1 1722729628 RKGJCSGCZYVNMI-UHFFFAOYSA-N 485.614 1.422 30 10 JDEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1729828958 HCOAFAOTSPUDJA-PXNSSMCTSA-N 474.587 1.482 30 10 JDEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1730459013 HMTDWFFURULVND-SFHVURJKSA-N 455.563 1.221 30 10 JDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1730629930 HKBDISORWJJXQG-VWLOTQADSA-N 475.553 1.962 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 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C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1748808771 NERKFLFRQIBMHA-XLIONFOSSA-N 478.018 1.946 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1748819647 QYWJKESDVGZYDL-RTBURBONSA-N 456.572 1.568 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748821716 UBUMZMQWKDPGAQ-IFMALSPDSA-N 471.627 1.411 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ncnn1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748823946 FXTKHKGQSDPXSP-SFHVURJKSA-N 455.544 1.070 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CC 1748892155 JULUTWRGLDOYGX-NRFANRHFSA-N 455.584 1.685 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CCOC[C@H]2C)CC1 1748984006 FNXAISKDSOSECF-LJQANCHMSA-N 454.575 1.438 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)COC)CC1 1749115413 PNZJSQADTUAXDC-YLJYHZDGSA-N 462.595 1.473 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)CCS(=O)(=O)CC 1749128387 VKVJHFALEHVJSW-BEFAXECRSA-N 465.576 1.858 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNc2nccc(C(F)(F)F)n2)CC1 1749286535 NYTRTYRSCKIWPB-CYBMUJFWSA-N 474.513 1.966 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1749630594 SBIFIOQWKGIXFX-LJQANCHMSA-N 480.566 1.271 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1749680295 HUHMTEPMUGKUTB-LJQANCHMSA-N 485.564 1.881 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)cc1 1749685968 NSPDUOWETRBPGW-OAQYLSRUSA-N 486.598 1.964 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1749721462 KQUOGUJLRDKYMS-KRWDZBQOSA-N 489.602 1.219 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1749738423 MNIVGYVVHRRGJQ-LJQANCHMSA-N 490.634 1.126 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CC2(C(N)=O)CCOCC2)c1 1750381791 FJSYVJPCNCQYMY-UHFFFAOYSA-N 477.491 1.783 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(OC)CCOC2)c1 1760128205 BNADAKDKHRDYRG-MBSDFSHPSA-N 487.582 1.042 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760187619 KMDIZUOVHXQYBY-DLBZAZTESA-N 467.592 1.324 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760188186 NCWAPRSKGYQHOQ-CEXWTWQISA-N 457.556 1.244 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1C[C@H](C)O[C@H](C)C1 1760196928 NGOPRHVWMQYCKL-OYRHEFFESA-N 498.653 1.768 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C1CC1)N(C)C 1760203934 VVQZOJQBURIGOI-VQTJNVASSA-N 456.591 2.000 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(C)CN(C)C2=O)CC1 1760259633 OEAJPSHTGQLBTE-VWLOTQADSA-N 485.633 1.626 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCC(=O)NCCC)CC1 1760269934 HEERJVGAFCCJAH-UHFFFAOYSA-N 454.550 1.890 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCC(F)(F)F 1760298645 PDBRLTCUAHPWCJ-GOSISDBHSA-N 454.478 1.940 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1760310321 BFLDDMLNWHMYMA-CQSZACIVSA-N 452.357 1.349 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](c2ccco2)N(C)C)CC1 1760402662 QIQOTKJKEMZRDW-ICSRJNTNSA-N 478.619 1.909 30 10 JDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1760522726 CLEAXJNDYQKFPD-UHFFFAOYSA-N 485.614 1.979 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1760525200 XMIPABZYIQTSTO-UHFFFAOYSA-N 496.547 1.367 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1760530994 ZHLUHIBIZVXQFQ-LJQANCHMSA-N 456.522 1.462 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2cccc(C)c2)C1 1760543237 NVWBVVFPTWYRLR-VQTJNVASSA-N 473.599 1.700 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](CC)C1 1760566363 RWGUWCLCCOUFHI-JKSUJKDBSA-N 461.679 1.862 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(OCC2CC2)nc1 1761475759 GOTASLADIRFNQC-OAHLLOKOSA-N 459.576 1.860 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2C#N)CC1 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CSCC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C(C)=O)CC1 1868781839 BBBMHMKZHOSJSD-PMACEKPBSA-N 491.683 1.953 30 10 JDEE CCOC(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2)N=C2NS(=O)(=O)c3ccccc32)CC1 1869927860 GEAKKFCYSDYJIU-LJQANCHMSA-N 470.551 1.637 30 10 JDEE COc1cc(C(=O)NCC(=O)Nc2c(C#N)nnn2Cc2ccccc2)cc(OC)c1OC 1870106623 CFUYXVRBOOFPLT-UHFFFAOYSA-N 450.455 1.592 30 10 JDEE COCCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3-c3ccc4nc[nH]c4c3)cc2C1=O 1870141943 RUDPXTOMTKHQGN-UHFFFAOYSA-N 470.449 1.900 30 10 JDEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(=O)OC)s2)c(=O)cc1CN1CCN(C)CC1 1870585970 JYLXQVMIYNKULJ-UHFFFAOYSA-N 475.571 1.351 30 10 JDEE C=CCn1cc(OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)cc1CN1CCOCC1 1870598914 WYEBPUGUNCQHDW-UHFFFAOYSA-N 493.564 1.682 30 10 JDEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873562489 FWOCULGKMKCSKM-UHFFFAOYSA-N 469.546 1.233 30 10 JDEE C=CCn1c(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc2c(N(CCO)CCO)ncnc21 1873595334 YLZUIMJTGUWNRT-QHCPKHFHSA-N 478.597 1.975 30 10 JDEE CN(C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CN(c2nccnc2C#N)C1 1892214492 VENUFXRWJZPWIU-IBGZPJMESA-N 485.526 1.147 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)[C@H](O)C1 2197485278 ANRNMDQBEKDYFY-ZBWOKKAISA-N 466.384 1.804 30 10 JDEE Cc1nc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(B2OC(C)(C)C(C)(C)O2)s1 2255808396 JDUCEKRGUQCNIR-STQMWFEESA-N 453.370 1.461 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2255841414 BQINDOZIUCCQQO-KBPBESRZSA-N 453.370 1.542 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2267161431 AVDGAYQRQOWUNC-KGLIPLIRSA-N 467.397 1.790 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2267166886 YMMXSJWMAQFDDF-CABCVRRESA-N 465.381 1.903 30 10 JDEE CCC[C@@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2267362216 OMFXRNQWYGODKS-ZDUSSCGKSA-N 473.405 1.086 30 10 JDEE 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C=CCOC(=O)[C@@H]1O[C@@H](OC(=O)[C@H](C)c2ccc(-c3ccccc3)c(F)c2)[C@@H](O)[C@@H](O)[C@@H]1O 106045237 ONIQYRINBFNODR-PXLRKKLDSA-N 460.454 1.676 30 10 JDEE CCCCCCCCNC(=O)Oc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O 106384760 ULFHIENXDOWOOW-OQEHDIDLSA-N 468.547 1.458 30 10 JDEE N#Cc1cccc(C(=O)N2CCN(c3ccc(N4CCN(C[C@H]5CCCO5)CC4)nn3)CC2)c1 585473754 DLTBOMWDZOWUCS-JOCHJYFZSA-N 461.570 1.612 30 10 JDEE COc1ccc(N2NOC(=O)/C2=C\C(=NC(=O)c2ccccc2)C(=O)N2CCC(O)CC2)cc1 585673923 ZGFMTEFOBLRXBP-HJIGICIWSA-N 464.478 1.627 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)CC1 758658725 QEZWGCPIBDUFNN-SILNSSARSA-N 463.567 1.846 30 10 JDEE C[C@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)NCCc1ccc2c(c1)OCCO2 919318133 COJCZISJKKUJMH-INIZCTEOSA-N 472.519 1.535 30 10 JDEE C=CCN1CC[C@H](N(C)S(=O)(=O)N=[S@](C)(=O)c2cccc(Br)c2)C1=O 1211666788 LMQKQAOJUDMVKC-LFPIHBKWSA-N 450.380 1.869 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cnn(C)c2)CC1 1286321752 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C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1C1CC1 1300310793 OYQNIPTVKSIYEL-YTQUADARSA-N 450.609 1.086 30 10 JDEE C#CCCCCn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1300376748 NIPBMWLBTDUDHS-RXVVDRJESA-N 453.609 1.592 30 10 JDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1300421650 NCFDZDZKAAMLBK-UHFFFAOYSA-N 469.634 1.727 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sccc1Br 1300465595 PELFWJIWYQBGKZ-CYBMUJFWSA-N 474.406 1.553 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1300484204 PBSIOGLUZGPQFZ-RDJZCZTQSA-N 467.617 1.750 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1c(CC)nn(C)c1OC)[C@H]1CCS(=O)(=O)C1 1300488734 VJQQLRJKKYYCIN-INIZCTEOSA-N 471.587 1.263 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1300492360 NCCRDZUJBRXLJU-QGZVFWFLSA-N 489.579 1.271 30 10 JDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC1CCN(C(C)=O)CC1 1300591928 XALFLKLHWAEEAD-UHFFFAOYSA-N 452.584 1.991 30 10 JDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1300597333 DODSNIXTBBPDRL-UHFFFAOYSA-N 464.530 1.640 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)Oc2ccccc2)CC1 1300729174 PBIGIFWCFTWRQZ-LJQANCHMSA-N 464.570 1.834 30 10 JDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1301259713 MZJXMVXFWYUVPA-UHFFFAOYSA-N 454.622 1.698 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC 1301405599 UAQBKLMVFFZGFA-MRXNPFEDSA-N 470.596 1.314 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1301492062 WMPCXWLFXOXHAG-UHFFFAOYSA-N 465.602 1.690 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCS(=O)(=O)C(C)(C)C)C1 1301566690 ATFBZTXVXROGGW-KSZLIROESA-N 456.609 1.997 30 10 JDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1301612394 LVDUDLQCHNWNGK-GOSISDBHSA-N 462.620 1.362 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)Cc2cccc(F)c2)C1 1316529461 ADCRDENSUTWXMB-IERDGZPVSA-N 478.525 1.120 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)C[C@H]2C(=O)NCC1CC1 1358919997 PLUFDTJYAWMCOI-WMZOPIPTSA-N 462.620 1.434 30 10 JDEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1358959603 MAYXTWOVMSKGNG-SFHVURJKSA-N 464.551 1.422 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)N(C)C 1358983628 PZJMWKRGCOITJG-KRWDZBQOSA-N 464.592 1.314 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCC(=O)N2)CC1 1359047355 CWZDAWMNEVNODW-GOSISDBHSA-N 470.961 1.755 30 10 JDEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCO[C@@H]1C 1359268007 ZWECPVAIUONALA-VGOFRKELSA-N 461.588 1.914 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1359294237 OOUNFKQDLWZQKW-UHFFFAOYSA-N 495.628 1.781 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1359327851 MKUZMURYZYTDOD-IYBDPMFKSA-N 469.361 1.870 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1359335512 NGPIJGDRSLEODM-IBGZPJMESA-N 461.588 1.287 30 10 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C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(N2CCNC2=O)CC1 1508089211 AZVHRRSTIWQOMV-UHFFFAOYSA-N 467.574 1.770 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCNC(=O)[C@@H]2CC)cc1 1508096642 IHQLYBDZCFXMGK-YJBOKZPZSA-N 462.576 1.216 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN([C@@H](C)C(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1508148941 LQRFLDKXGZUUCM-LPHOPBHVSA-N 495.568 1.604 30 10 JDEE CC(C)CN1CCC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)C1 1509405997 GGSPKQADQZDXTM-AABGKKOBSA-N 481.667 1.717 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(N2CCCC2=O)c1 1510188526 CXEYWMCDJBVNHM-QVKFZJNVSA-N 475.550 1.505 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1539003014 KHNCNBGXKTUHSM-ZWKOTPCHSA-N 497.625 1.947 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1539211395 LFNHBKXJXMMTKY-SFHVURJKSA-N 473.580 1.021 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1539231444 VURGRIKTONFIQD-PKOBYXMFSA-N 489.573 1.634 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1539370498 WPOINHJPOWORAF-IERDGZPVSA-N 489.598 1.451 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1539445749 DKVCDMSCICRFAT-HNNXBMFYSA-N 467.521 1.144 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](c2ccco2)N(C)C)CC1 1539459406 GJAKJSSNRRMCNK-GOSISDBHSA-N 467.599 1.921 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C(N)=O)cc2)CC1 1539477606 SDPRJUHAZJPFMX-UHFFFAOYSA-N 457.538 1.762 30 10 JDEE C#CCSCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539497073 JNQZVHQGMLCCOA-MSOLQXFVSA-N 498.609 1.330 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCNC(=O)c2cccc(O)c2)CC1 1539829060 SYYMCPQQTGKESK-MRXNPFEDSA-N 462.576 1.570 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COc2ccccc2O1 1540200606 FCEGEXPFWIBSTP-FXAWDEMLSA-N 493.586 1.090 30 10 JDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1540870255 IQBIYZNAYZGTCB-UHFFFAOYSA-N 471.606 1.178 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C[C@H]2CCOC2)CC1 1540875188 DFDYIXHFOCTQBN-GOSISDBHSA-N 458.538 1.457 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC(=O)N[C@@H]3C2)cc1 1540877234 OGWKVSONNUPSNI-VDZJLULYSA-N 474.587 1.216 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)SC)C1 1540892972 UVUGIOUGXDGGKR-HZPDHXFCSA-N 459.638 1.534 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](O)(c2ccccc2F)C1 1540907651 DCAPYLLXTDCJOL-KPDCDPCYSA-N 494.589 1.840 30 10 JDEE CC(C)(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1541138598 BHAOTTLKULOOFQ-GOSISDBHSA-N 474.587 1.514 30 10 JDEE C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccccc2I)CC1 1542180357 JABIHAGKTGBMFV-KRWDZBQOSA-N 451.308 1.673 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)C1 1556132000 BLKUZDMJOFZLLE-GVDBMIGSSA-N 456.499 1.895 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(F)c(F)c2)CC1 1588890746 FPGPDVJKCJQLAP-HNNXBMFYSA-N 494.568 1.375 30 10 JDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1589134479 KZKPEFYLMOVJCG-MRXNPFEDSA-N 482.657 1.772 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1593636083 FBAXIADILDFTLQ-XLIONFOSSA-N 477.587 1.853 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1593637165 ZGPZQBGVWSIRNH-SFHVURJKSA-N 466.608 1.026 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1595490134 NGIMCUZXZYYAIF-SFHVURJKSA-N 497.625 1.870 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1595963483 OLSRKDHTMXTICB-BWVDKLOVSA-N 457.535 1.103 30 10 JDEE CCN(C)C(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C#N)C1 1615100231 GQHKTYFPTPTMRK-IAGOWNOFSA-N 461.567 1.600 30 10 JDEE CCOCc1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1CCS(=O)(=O)CC 1616910572 GLEFPNLAUUETPK-UHFFFAOYSA-N 483.598 1.996 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](C(=O)OC)C[C@@H]2[C@H]2CCCO2)ccc1F 1617306724 NYEFDBXXCLCAQK-CGTJXYLNSA-N 454.520 1.863 30 10 JDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1618507789 HNJIGDCQPUDPHN-LJQANCHMSA-N 451.575 1.747 30 10 JDEE C[C@@H](C#N)Oc1ccccc1NC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1623277611 CLGLYYLRVYXPFD-AWEZNQCLSA-N 458.496 1.943 30 10 JDEE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 1624813443 IBEQNRFWZZSXBQ-ZQIUZPCESA-N 452.533 1.237 30 10 JDEE C#CCN(C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1644787641 BPIDWSAVNUBBBX-FQEVSTJZSA-N 453.543 1.968 30 10 JDEE C#CC1(O)CCN(CC(=O)NCCN2C(=O)S/C(=C/c3ccc(OCC)cc3)C2=O)CC1 1647863626 LBHBLDASVPMDGM-XDJHFCHBSA-N 457.552 1.698 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1689983019 ZCHICKMXRXSAHW-FQQSSWHASA-N 491.639 1.788 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCNC(=O)OC(C)(C)C 1690047569 UKJMGWPXPHYQBA-SFHVURJKSA-N 463.604 1.948 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOC1CCCCCC1 1690076922 DQJMVPRCCBLCES-LJQANCHMSA-N 453.609 1.810 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1690156364 WHWQFXQNUCGOOV-CVEARBPZSA-N 483.689 1.594 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCC1 1690206556 UVBSGVFXWUDRLM-YLJYHZDGSA-N 451.593 1.420 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)NC(C)(C)C)CC1 1690411339 KFFKLKPVNKLRLD-QGZVFWFLSA-N 468.624 1.318 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1690430131 CXONYHFKOJIKRM-KRWDZBQOSA-N 472.594 1.589 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCC2CC2)CC1 1690484970 IFVVWKXBMJATBR-LJQANCHMSA-N 453.609 1.973 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690672734 BGJACNUXJBITNG-UHFFFAOYSA-N 465.602 1.224 30 10 JDEE CN(C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccn(C)n2)C1)S(C)(=O)=O 1696752573 BWARARDQATWQPW-LJQANCHMSA-N 482.614 1.901 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H]2COCCO2)c1 1705507298 XQZIETFXACWDEG-QUCCMNQESA-N 487.582 1.042 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CN(CC)CC 1705551073 FZXQFUDUJOFOLO-NRFANRHFSA-N 474.631 1.571 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(Br)n1)[C@H]1CCS(=O)(=O)C1 1705558976 NNQBJGPVNLVKFC-HNNXBMFYSA-N 495.403 1.249 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1705569210 DQZVSAMUKNYONG-XMSQKQJNSA-N 455.540 1.391 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1705582773 JHIOWMIYAQASLF-HXUWFJFHSA-N 463.567 1.499 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nnnn1CC1CC1 1705592232 SQGWGZCXNXEESL-UHFFFAOYSA-N 454.336 1.943 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1ccn(C)n1 1705595390 QNKLVAISRXQJEK-UHFFFAOYSA-N 450.572 1.677 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nccc(C(F)F)n2)C1 1705925893 VSYJWLSWZFOSEZ-KBPBESRZSA-N 454.503 1.737 30 10 JDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1706238044 FEYWVHQCUQCQPJ-UHFFFAOYSA-N 478.601 1.333 30 10 JDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCNC(=O)c1ccc(C)cc1 1709141767 DSKNJFUSGVOZJB-SFHVURJKSA-N 459.558 1.956 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1S(=O)(=O)N(C)C 1722284108 KOZROCGFAXEHSB-MRXNPFEDSA-N 467.555 1.682 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1722358687 KQHKMPSOKJTCDP-IIBYNOLFSA-N 474.612 1.838 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722372241 SBRJXDZTBMEHAL-QGZVFWFLSA-N 478.644 1.237 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cc(C)cn1 1722389641 KBIONWHWVOWPRD-UHFFFAOYSA-N 465.583 1.863 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(COC)CCCCC2)CC1 1722444469 KCWXNLMJXDRQKG-SFHVURJKSA-N 494.662 1.451 30 10 JDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1722523521 XNTLWEPGPDYIBR-LJQANCHMSA-N 450.653 1.751 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1722700903 YMQVPHDFGHGPBT-GDBMZVCRSA-N 463.464 1.975 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1722728255 UJWYYQRDMRVIOX-IBGZPJMESA-N 469.615 1.990 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccc(C#N)o2)[C@H](C)C1 1722785793 OOPHNOHDVAFGIG-MRXNPFEDSA-N 497.581 1.765 30 10 JDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1722813252 CLIBKEJFZUTJPP-HXUWFJFHSA-N 451.531 1.171 30 10 JDEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@]2(O)CCO[C@@H]2C)c2ccccc2c1=O 1728639496 ARGPGCCPFSFJKE-LNPFQXMTSA-N 451.531 1.953 30 10 JDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)CC1 1729791268 FTHOIZPZGIBRQL-UHFFFAOYSA-N 453.547 1.816 30 10 JDEE COCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)CCOCC1 1730519106 GELXJQPXMBXRJX-GOSISDBHSA-N 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C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1690670943 MJFGHCWVGUVKPW-QUCCMNQESA-N 452.559 1.731 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690673453 WFFDTGGXXYALNQ-UHFFFAOYSA-N 487.992 1.399 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CC[C@H](S(=O)(=O)NCC)C2)cc1 1690679837 AXRNXVLEAMVKLY-ICSRJNTNSA-N 461.588 1.913 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCS(=O)(=O)C1 1705624640 JIUSGKYFBQXQOD-QGZVFWFLSA-N 460.556 1.627 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCOC)CC1 1705649713 DHPFSOHDPAFJII-UHFFFAOYSA-N 479.629 1.255 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(C(N)=O)CCCC2)CC1 1705651122 KJZKVZANNLYUBV-UHFFFAOYSA-N 497.625 1.281 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705656546 AZXAYHKNZPDFMI-UHFFFAOYSA-N 451.556 1.907 30 10 JDEE C=C(C)Cn1c(N2CCN(S(=O)(=O)Cc3ccon3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705728550 NYXOSBXWLUMYSO-NRFANRHFSA-N 480.591 1.535 30 10 JDEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1705804137 QDYJGMACIMBJNH-UHFFFAOYSA-N 468.537 1.907 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](OCC=C)C1 1705895402 FWYGUXGYLKQWMG-QGZVFWFLSA-N 473.603 1.630 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Oc2ccccc2)C1 1705896833 ABLQRRHOYLFJOE-AEFFLSMTSA-N 462.576 1.238 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705899083 HSXJJKKTHXBCGA-UGKGYDQZSA-N 465.602 1.545 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCCS1(=O)=O 1706076632 BBVUJUALECLXTI-GJZGRUSLSA-N 450.590 1.833 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc[nH]2)n1CCC(=O)NC(C)(C)C 1708152227 ASMZHOJVUGJHJR-MRXNPFEDSA-N 462.562 1.955 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](c1cccc(OC)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722362082 RRRSNRYJFDVEIL-IRLDBZIGSA-N 497.625 1.617 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1722370788 QOWMXIAZBKTDDG-INIZCTEOSA-N 463.535 1.148 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1722371696 XQDQWOWGPXDMKS-IBGZPJMESA-N 484.582 1.469 30 10 JDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1722371960 NNBSZRBUJLJFHZ-WOJBJXKFSA-N 471.583 1.569 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2(C)COCCO2)CC1 1722443037 MSXQEGQNXGJWJG-XMMPIXPASA-N 453.543 1.725 30 10 JDEE C=C(Br)Cn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1722490165 XVKSUAVYIAUUEQ-CLCXKQKWSA-N 473.368 1.588 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1722536606 GEGDIYKGFZBLKQ-OALUTQOASA-N 463.608 1.823 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1722702315 NCHYDSAIRWMPEQ-UHFFFAOYSA-N 492.584 1.759 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C#N 1722729234 YVEKIBMBNBEIMZ-IRXDYDNUSA-N 482.607 1.783 30 10 JDEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722736309 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JDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1588961771 LNHRDDJYCAJLTM-CLOONOSVSA-N 467.570 1.405 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1588961774 LNHRDDJYCAJLTM-UQBPGWFLSA-N 467.570 1.405 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC(=O)N(C)C)CC2)cc1 1595608879 ZWQOKLSVBFPVDV-UHFFFAOYSA-N 469.590 1.240 30 10 JDEE CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOCCCO)C[C@@H]2C)CC1 1596133191 CATFHXKWWQQJRB-RDPSFJRHSA-N 495.628 1.595 30 10 JDEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1613030356 DUHJHJQPKFMFHK-XWFZLUIHSA-N 475.571 1.282 30 10 JDEE CCN(Cc1ccc(OC)c(OC)c1)C(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 1613804000 BTUTWCDGXMAOMO-UHFFFAOYSA-N 454.527 1.618 30 10 JDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1615328600 GURONSGBVWGLRH-UHFFFAOYSA-N 499.641 1.384 30 10 JDEE Cc1ccc(S(=O)(=O)NCCN(C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 1615678512 DXNPSMWNBUXOQA-UHFFFAOYSA-N 452.540 1.901 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 1627015725 ZCTXDKFXYDZTTJ-MRXNPFEDSA-N 451.354 1.630 30 10 JDEE C#CCN(C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1681158890 YSPUWOCSHAAYLC-CVEARBPZSA-N 457.474 1.638 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCCN1CCOCC1 1689846997 PXGOPQZEXSQKPZ-SFHVURJKSA-N 459.620 1.809 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCN(CCC)CC1 1689893052 SSRQRWSQIOAJPM-FQEVSTJZSA-N 466.652 1.725 30 10 JDEE C#CCCCn1c(N2CCN(CC(=O)N3CCCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1689941346 NDBFHFZLJXRUCM-RUZDIDTESA-N 472.634 1.867 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(S(C)(=O)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1689991230 YPQNGWMGTIPZAL-ROUUACIJSA-N 484.644 1.156 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689998677 STAOGVAZTPLPJJ-FHWLQOOXSA-N 452.577 1.055 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccc(C)o2)N2CCOCC2)CC1 1690109400 QAYLHJSOKCJHLY-HXUWFJFHSA-N 469.590 1.146 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](Cc2ccccc2)OC)CC1 1690146530 PUYQBDVYKSBWGD-YADHBBJMSA-N 499.637 1.404 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1690146712 UUYSUBDWKIEGBZ-FQEVSTJZSA-N 485.610 1.590 30 10 JDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NCCOC)CC1 1690640793 DJRPLAWNWIHOLB-UHFFFAOYSA-N 465.558 1.840 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1690655292 NSPLUCZISJDUHK-PMACEKPBSA-N 457.623 1.907 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1705559137 RZVDRWYJRAYXOH-FUHWJXTLSA-N 467.661 1.966 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccc(N3CCO[C@@H](C)C3)nc2)n1 1705632203 XZGQSBZGLQZYDW-IBGZPJMESA-N 464.574 1.738 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)C1CC1 1705674787 QYPZUGOBZRPOOF-PLMTUMEDSA-N 450.609 1.086 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](OC)C(C)(C)C1 1705699446 HBVNTKYZQUEHIL-HCXYKTFWSA-N 483.635 1.453 30 10 JDEE C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705720891 HCLNAEIVGUUXKL-SFHVURJKSA-N 486.548 1.641 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1705819117 DNAMEILETJOYSV-JKSUJKDBSA-N 480.557 1.650 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1705902360 CUKVRQBHCPDTNV-DZGCQCFKSA-N 453.515 1.958 30 10 JDEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705941634 PUJQOLRBIZNDOM-KRWDZBQOSA-N 486.598 1.419 30 10 JDEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CC2(O)CCOCC2)c2ccccc2c1=O 1710301508 GFSBRGLUZNXYLQ-MRXNPFEDSA-N 451.531 1.955 30 10 JDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1711397106 CXHDMGOSXBLNSB-UHFFFAOYSA-N 464.618 1.948 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1722324125 LEFDURGJVQDBRD-QGZVFWFLSA-N 450.609 1.531 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)N1CCOCC1 1722375364 NFCCTLYJAPZCJS-UHFFFAOYSA-N 484.626 1.379 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1722431620 NGGKJKPQJRPIAC-MRXNPFEDSA-N 454.556 1.569 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cccc(F)c2[C@@H]1C 1722692087 WMIDPCWOJUCXMX-KBPBESRZSA-N 450.540 1.453 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1722698096 BWSNSSCNWCLWCE-HNNXBMFYSA-N 476.940 1.839 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1722699662 XAVWZIZVCGSGHN-FCGDIQPGSA-N 490.605 1.750 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722699974 RLHNLBLXSQDKGW-HSZRJFAPSA-N 485.976 1.639 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1722700995 BXHPWZHDNVZRKS-NTKDMRAZSA-N 455.559 1.976 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1722705142 ALZYKFJBRIXBFC-IBGZPJMESA-N 455.494 1.610 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722706427 RLNFAHDSNIDBSL-JOCHJYFZSA-N 495.628 1.519 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1722724843 HVEVHLHZKWQSMF-QGZVFWFLSA-N 484.586 1.329 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1722730035 GFHCLVBQNCQFMW-QFIPXVFZSA-N 459.572 1.625 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc(Br)cn1 1722866865 CZSFWZDWESVEPC-CHWSQXEVSA-N 456.370 1.435 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1C[C@@](C)(O)C(C)C 1723611863 FGOUQZYFKYUOGJ-HSZRJFAPSA-N 470.578 1.887 30 10 JDEE Cn1nc2c(cc1=O)CN(c1nnc(COc3ccc(C#N)cc3)n1CCNC(=O)C(C)(C)C)CC2 1729603347 GSAIOJRVDMYHAN-UHFFFAOYSA-N 490.568 1.547 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CC(=O)NC(C)C 1730749787 BVKPGWZVWSODEL-UHFFFAOYSA-N 453.547 1.563 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCC(O)CC1 1740540797 ZHLFNOXZGBPZBQ-SFHVURJKSA-N 474.631 1.500 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1N1CCOCC1 1740580617 DSRFBPVCXGPQCA-SFHVURJKSA-N 460.604 1.775 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740622525 ZCVYUOHCBTXYMP-MSOLQXFVSA-N 461.563 1.432 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCO[C@H]2CCOC2)CC1 1740693401 XNSIYIPJEMXWOQ-KRWDZBQOSA-N 463.380 1.987 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2cccn(CC)c2=O)CC1 1740699804 UTUVQQCUZKIVDZ-UHFFFAOYSA-N 450.518 1.981 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCn2cncn2)CC1 1740703562 XBFFCYQWIGZMGZ-UHFFFAOYSA-N 464.530 1.220 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1740717053 IDIAHHRJAQDYHV-QGZVFWFLSA-N 490.611 1.781 30 10 JDEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740724077 YAKSLCUTGZUGMR-UHFFFAOYSA-N 496.637 1.713 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1740793900 ZFTISFAMKOQXGY-ACRUOGEOSA-N 459.639 1.817 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740884258 UZPLJJDPRDYILT-KRWDZBQOSA-N 476.603 1.455 30 10 JDEE C=CCn1c(-c2cnccn2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1740945946 ALJIVQBSIXKONJ-FVQBIDKESA-N 461.548 1.048 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)cc1 1740967578 KUPMEDBWITWISY-RTBURBONSA-N 494.639 1.807 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740968688 DHPPARRUJJRKIV-MSOLQXFVSA-N 480.612 1.417 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1csc(CC)n1 1740985867 MTJBTEUTUPUJTG-UHFFFAOYSA-N 452.606 1.770 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCNC(=O)CC1 1740989202 DZATVBXCXSSFFW-UHFFFAOYSA-N 468.377 1.635 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCOC2)c1 1748689321 AHRMFRPOKMWUTL-DEOSSOPVSA-N 475.509 1.133 30 10 JDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1748745751 WJYDUOPWOFQUAN-QGZVFWFLSA-N 493.659 1.417 30 10 JDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1748766103 FOQXGYARGMECJW-ICSRJNTNSA-N 460.604 1.340 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1748801526 BULUJGHJYIBOGB-GOSISDBHSA-N 487.582 1.206 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](OC)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1748814261 BXMVNBMRDXVVAC-CEXWTWQISA-N 475.546 1.383 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1748891773 FUHLEEFLVPGPCN-RBBKRZOGSA-N 495.605 1.809 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1748973274 ZZMJPDYBXYZHRO-GOSISDBHSA-N 482.589 1.936 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCS(=O)(=O)CC=C)CC1 1749003626 PTSFHWUJJSHUOM-UHFFFAOYSA-N 471.583 1.520 30 10 JDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749096193 HVXUNIHKWOROOP-UHFFFAOYSA-N 465.356 1.161 30 10 JDEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N1CCOCC1)C1CC1 1749519288 IHHOJXPRELPGLU-IBGZPJMESA-N 490.605 1.990 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1749650689 FKMYUVUHTAMFKN-DLBZAZTESA-N 470.530 1.760 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749652716 RNTQKYVZJIBBOQ-NVXWUHKLSA-N 471.537 1.900 30 10 JDEE COCCN(C)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1749773084 AZKMQOSSQAMNSH-UHFFFAOYSA-N 454.579 1.193 30 10 JDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1760157659 XDPZNDDBSCFWNF-QGZVFWFLSA-N 476.628 1.687 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1760180575 HQNCVOLZMHQLGV-UGKGYDQZSA-N 465.620 1.041 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1760180773 KVFNYWGLQDFZPG-HOTGVXAUSA-N 498.403 1.468 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN(C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1760187451 DHFDBEUSIHSNNI-OAQYLSRUSA-N 485.589 1.576 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](SC)C(C)(C)C 1760219458 FNHFMGXYQPNYSR-ZWKOTPCHSA-N 467.661 1.852 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCCC2)CC1 1760255998 RIEBGVAMTOMZIQ-UHFFFAOYSA-N 456.616 1.590 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1760257602 AXHLZLWCHMDODK-UHFFFAOYSA-N 467.599 1.337 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2COCCO2)CC1 1760272133 ZVMFCFWEUYBOAC-FQEVSTJZSA-N 453.543 1.259 30 10 JDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1)c1ccccc1 1760362415 JVEVLCRJIPDJSQ-SJLPKXTDSA-N 487.586 1.074 30 10 JDEE C=C(Cl)Cn1c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760387769 OSHGYYAEIZXTPF-FOIQADDNSA-N 464.958 1.603 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1760522350 RNXNLTJZNNKFQP-NVXWUHKLSA-N 463.560 1.563 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1760526046 BIWVALVGFXPTSJ-SFHVURJKSA-N 472.594 1.888 30 10 JDEE C=CCNC(=O)Cn1c(N2C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1760528867 OVDGEOLHUVLISU-XFAGBWLFSA-N 492.621 1.970 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCOC3(CCOCC3)C2)cc1 1760530204 LRZJOCPWVUCZAP-GOSISDBHSA-N 491.614 1.887 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C(C)(C)C1 1760554641 IZEOMWAFWDYTJZ-IAGOWNOFSA-N 489.664 1.084 30 10 JDEE C[C@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1763232050 CWCSUTOPMSQHHY-RXVVDRJESA-N 472.615 1.941 30 10 JDEE CCN(C)Cc1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)c1 1764728874 AHWGKZLJXUGYOM-NQIIRXRSSA-N 489.646 1.849 30 10 JDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1766089639 HKIAUCIRXJWRJF-MSOLQXFVSA-N 490.586 1.266 30 10 JDEE N#Cc1cccc(C(=O)Nc2nc(N(CCO)Cc3ccccc3)nn2[C@H]2CCS(=O)(=O)C2)c1 1869981058 ZGRDGKWPMVNSFS-FQEVSTJZSA-N 480.550 1.761 30 10 JDEE C=CCOc1ccccc1OCC(=O)Nc1nc(N2CCN(CCO)CC2)nn1C(C)(C)C 1870009558 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SXLGFRLECYROGQ-ZIAGYGMSSA-N 451.515 1.897 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(Cc2csc(C)n2)CC1 1359334178 VZFNQVVXAQDJGZ-UHFFFAOYSA-N 487.655 1.952 30 10 JDEE N#Cc1cn(CCNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)c(=O)nc1O 1471484630 ANEIKFJDLNCNHG-FCHUYYIVSA-N 458.522 1.788 30 10 JDEE COC(=O)c1ccsc1N1CC[C@@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)C1=O 1478116391 ATBVAXPSMKONMF-MRXNPFEDSA-N 454.512 1.438 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCSC2(CCOCC2)C1 1503829791 DQEHZYRDLMCKRD-UHFFFAOYSA-N 462.601 1.468 30 10 JDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)CC1 1504536438 BWWYSMCTLWTZEW-IBGZPJMESA-N 454.531 1.450 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2cc(Cl)ccc2s1 1507617275 RSWDSOVZELTINS-HNNXBMFYSA-N 481.003 1.992 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1507721817 TZURWGXDMULKLX-HXUWFJFHSA-N 478.519 1.972 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1507728570 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C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1508066908 IUDYHOTWYVNEMH-SFHVURJKSA-N 487.605 1.807 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@H](CC)C1 1508131481 MVMMOUULWIKZDA-OAHLLOKOSA-N 450.590 1.858 30 10 JDEE C=CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1508165378 SZBVKWRVEPDWKM-GOSISDBHSA-N 470.599 1.138 30 10 JDEE CCN(CCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1)S(C)(=O)=O 1515715680 GMUBNEWAHTZVDG-FQEVSTJZSA-N 487.630 1.652 30 10 JDEE COc1cc(CNC(=O)C2CCN(c3oc(C)nc3C#N)CC2)ccc1OCC(=O)N(C)C 1533929374 FEWCPKHNULXGEQ-UHFFFAOYSA-N 455.515 1.863 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(C)(F)F)c1 1539180050 VUCHEIAHLZWVHM-QGZVFWFLSA-N 453.515 1.840 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539219878 OBUVYQKWXQVCCF-MRXNPFEDSA-N 493.580 1.936 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@](C)(O)C2CC2)CC1 1539467094 MOXRSFYIJJYALP-VWLOTQADSA-N 499.015 1.988 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2nc(C(C)(C)C)cs2)CC1 1539477161 JMDBAHSEKQGYHY-INIZCTEOSA-N 469.615 1.997 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccnc(C)n2)CC1 1539534113 ZCTFKVYRUFKKRG-ICSRJNTNSA-N 457.604 1.794 30 10 JDEE C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1539696642 QLTFXNFLGAQCMH-UHFFFAOYSA-N 454.531 1.037 30 10 JDEE C=C(C)Cn1c(COCC)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1539717536 FMVDKFDMARQFBI-PMPSAXMXSA-N 455.581 1.517 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](NC(C)=O)C2)cc1 1540877738 DLZNDCNGZNCUDO-PMACEKPBSA-N 473.599 1.898 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1540906992 IROLNPFHXNIMRQ-UHFFFAOYSA-N 452.650 1.835 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)[C@@H](OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540908300 FIWBPITVNHDUPF-BBTUJRGHSA-N 456.609 1.781 30 10 JDEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCNS(=O)(=O)CC 1545545912 GYWCTMDBCIMXKX-HZPDHXFCSA-N 461.596 1.108 30 10 JDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H](N2CCOCC2)C(F)(F)F)CCOC1 1547858694 AYLGRGCPYPRUMU-JTDSTZFVSA-N 460.501 1.789 30 10 JDEE CC(=O)NCC(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@@H]1C(=O)N(C)C 1548380502 XRNFZFMCYHWCAL-LJQANCHMSA-N 479.503 1.989 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1587561328 CULUHPURCOQLPE-ZJOUEHCJSA-N 474.631 1.728 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)N(C)C 1587621746 YDIFVQLFQAIVJB-OAHLLOKOSA-N 457.560 1.024 30 10 JDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1587848140 XWIGTOSTDPTREY-MRXNPFEDSA-N 454.556 1.712 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1588045219 HJZDDZFTURVBFH-FQEVSTJZSA-N 466.567 1.917 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1588069911 UYHSSUPBUQEUEX-NRFANRHFSA-N 490.674 1.539 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(O)CCS(=O)(=O)C1 1588472086 CFPHDTGFNNQSSK-QHCPKHFHSA-N 491.589 1.525 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C)o3)n2C[C@]2(O)CCN(C)C2)n1 1588723298 KNPCHYMPDYXYPQ-QHCPKHFHSA-N 453.547 1.396 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN2Cc2ccccc2)CC1 1588741902 KFDKGORZLGGCMX-UNMCSNQZSA-N 485.658 1.308 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1588946934 ITTGTEULZLGUDD-NRFANRHFSA-N 478.645 1.256 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCOC[C@H]2OC)CC1 1588947688 STKROWPJWRHHKD-JTHBVZDNSA-N 481.597 1.895 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccn(C)n2)CC1 1588961478 AAPDOPFLZGZLGG-UHFFFAOYSA-N 451.506 1.744 30 10 JDEE C#CCSCCn1c(N2CC[C@H](C(=O)NCC(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1589125119 GNKBGZUOFRRINQ-HNAYVOBHSA-N 475.537 1.801 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cscn1 1589545140 LRNDNFSNVHZPFK-JQHSSLGASA-N 482.632 1.685 30 10 JDEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1594182341 ZODLMSKABQTFCQ-JOCHJYFZSA-N 494.017 1.814 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc(C(F)(F)F)cs1 1594963014 OQJFAXBMGLUVCZ-GFCCVEGCSA-N 480.538 1.951 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](OCC)C1 1595536481 BMBVCNVVZXHVEM-INIZCTEOSA-N 451.531 1.500 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC3(CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1595831317 PBRBTPGIABZTCZ-NRFANRHFSA-N 454.593 1.538 30 10 JDEE CCN(CCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C#N)C1)S(C)(=O)=O 1615623783 FNVPWVRFROUHRA-INIZCTEOSA-N 457.560 1.827 30 10 JDEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)=O)CC2)c1=O 1615731955 DWDBLSPFDAGJRG-UHFFFAOYSA-N 461.526 1.627 30 10 JDEE CSC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)CCOCC1 1620222838 GWBATIYYVAPPAC-CVEARBPZSA-N 472.637 1.262 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 1620351591 BVVKQVIUYUJCCG-HKUYNNGSSA-N 456.528 1.282 30 10 JDEE C#CCN(C(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 1629538953 WCRRGRULWVMNNR-WMZOPIPTSA-N 455.602 1.610 30 10 JDEE C=CCN1CC[C@@H](N(C)C(=O)CSc2nnc3n(CC=C)c(=O)c4ccccc4n23)C1=O 1641500498 KOXGSTRCHBPABK-QGZVFWFLSA-N 452.540 1.568 30 10 JDEE N#Cc1cccc(SCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 1652688050 AGRSKQVLLULGEF-UHFFFAOYSA-N 459.549 1.955 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 1666376215 MDISHSXTYPSIQA-INIZCTEOSA-N 456.952 1.515 30 10 JDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 1676181074 OYPVUFUSOJMEPB-UHFFFAOYSA-N 457.487 1.376 30 10 JDEE C#CCCCCn1c(N2CCN(c3nccc(OC)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1689906656 QMARBKVTOJBBSX-HSZRJFAPSA-N 455.563 1.859 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1689913436 ODNNBOYPXXTUIJ-IBGZPJMESA-N 499.641 1.013 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC(=O)NCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689987787 CGNGRSGKVSONBO-NRFANRHFSA-N 492.605 1.982 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1689989302 CXQABERAWUNNJD-SFTDATJTSA-N 478.663 1.174 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1690104334 TVAVZNFSCOZHJE-HXUWFJFHSA-N 452.559 1.217 30 10 JDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC[S@](=O)C(C)(C)C)CC1 1690120419 UGYGRNOYYQIGRY-XIFFEERXSA-N 491.687 1.541 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](c2ccco2)N(C)C)CC1 1690137719 HGPRBCJDNHEYOT-NLFFAJNJSA-N 484.601 1.792 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1690150665 PVCZVXQRYOSPOY-SFHVURJKSA-N 475.640 1.721 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCCCC2)CC1 1690152455 LXABMOJDGNMJPV-UHFFFAOYSA-N 452.607 1.591 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690278902 USOFWFDIJSWAQQ-LJQANCHMSA-N 459.572 1.752 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCN(CC)CC2)CC1 1690375232 DJJHCTUCFGTTKP-HXUWFJFHSA-N 450.653 1.754 30 10 JDEE C=CCCOCCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690512083 MCSSTBREIGHPEK-XMMPIXPASA-N 492.621 1.486 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCC(=O)N2)C1)C(C)C 1690581480 SJIINVIZUFBFLT-ROKPMTFOSA-N 490.674 1.738 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2OC)CC1 1690655169 JLKSVYDNGUHOLQ-UHFFFAOYSA-N 453.547 1.152 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2sccc2[C@H]1CC 1690672015 FWKACZWVYKWWCX-SJORKVTESA-N 494.643 1.489 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1690725161 HOWQAUVFYGHBNK-TZIWHRDSSA-N 489.642 1.635 30 10 JDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 1696198866 DBAVIIVINMHFGL-LVIWNVNYSA-N 459.572 1.760 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCC2(O)CCOCC2)cc1 1698487239 FKGOEOOXEMQQOH-UHFFFAOYSA-N 454.531 1.219 30 10 JDEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)N(C)C)CC1 1705512780 NXSBWAYUQFRCFR-UHFFFAOYSA-N 452.559 1.730 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(F)cn2)CC1 1705516730 HYNIEDVYNAFYQA-IBGZPJMESA-N 491.593 1.275 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1705566571 OGMYYRPZZZTUJQ-MOPGFXCFSA-N 492.623 1.194 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(OC)cc1 1705582698 HPFLWQDIMWYPKE-NQIIRXRSSA-N 487.582 1.160 30 10 JDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCCO[C@@H](C)C1 1705585267 PFQKKGOPNYAULN-IBGZPJMESA-N 454.600 1.843 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)CCCO2 1705612857 QKQUONCFFKIRIV-HXUWFJFHSA-N 459.572 1.444 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1705638026 VIVCLAPCVZEIJB-NRFANRHFSA-N 459.476 1.884 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1705649787 FDOZRUXOLYBIMQ-QFIPXVFZSA-N 483.638 1.996 30 10 JDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC(=O)NC)CC1 1705655328 BMAOSZDURCOOND-UHFFFAOYSA-N 465.587 1.640 30 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C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1749402588 PMMVMULKRMPQMD-HMXCVIKNSA-N 478.663 1.525 30 10 JDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)F 1750792691 FFYAVXQIGNGLFE-CQSZACIVSA-N 452.503 1.939 30 10 JDEE C#CCCCn1c(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1760159739 OIXGNZHYLZUJLW-GHTZIAJQSA-N 453.609 1.451 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1760180619 IGZUYEUNZILERX-WTNAPCKOSA-N 494.639 1.526 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCOCCOC)[C@H]1CCS(=O)(=O)C1 1760182027 ASJAHLVBFROQQF-SFHVURJKSA-N 452.964 1.888 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1760192342 SSTLOEORJXPQLB-KRWDZBQOSA-N 475.546 1.223 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sccc1Br 1760205754 IVDMQOLIRUZWEC-OAHLLOKOSA-N 498.428 1.556 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(Br)n2)CC1 1760264037 ZFNBPFXIPUVJPC-LPHOPBHVSA-N 475.391 1.963 30 10 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CC1(C)OB(c2ccc(CCNS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)cc2)OC1(C)C 2058047986 ADRUEKFKNQONEU-UHFFFAOYSA-N 484.383 1.744 30 10 JDEE Cn1ncc(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)c1I 2102372015 NWVKPVPZCXYFFS-UHFFFAOYSA-N 455.065 1.366 30 10 JDEE CN(CCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)Cc1ccccc1 2247900841 AINOLCJDAVZZPU-UHFFFAOYSA-N 451.423 1.994 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CO 2267162454 BCBPYEGFQHACJT-DZGCQCFKSA-N 467.397 1.790 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 2267417519 XUWXRUYBRXYSPR-AWEZNQCLSA-N 470.401 1.255 30 10 JDEE C[C@@H]1[C@@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1Cc1ccccc1 2267714033 TWQGJKZJBRYLCI-APWZRJJASA-N 460.409 1.661 30 10 JDEE C[C@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)CN(C)C(=O)OC(C)(C)C 2267717538 FNQSOKGFIBHXSN-CQSZACIVSA-N 472.417 1.501 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268637923 GIAYZMIUWFJRSA-NRFANRHFSA-N 467.397 1.821 30 10 JDEE CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2281931803 WOOUXEOMOQXXQJ-HNNXBMFYSA-N 464.372 1.543 30 10 JDEE CCn1cc(C(=O)N2C[C@@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282032968 MWJCQPPFFUBMQV-CABCVRRESA-N 464.372 1.302 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2282290559 UJRFYKADDRIDNX-ZDUSSCGKSA-N 485.416 1.181 30 10 JDEE CN(C[C@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCO1)C(=O)OC(C)(C)C 2282554561 GAHXCHYGKRVXNW-HNNXBMFYSA-N 464.372 1.427 30 10 JDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C1(CNC(=O)OC(C)(C)C)CCOCC1 2282579623 HHDOAPHTOVWMJT-UHFFFAOYSA-N 464.372 1.855 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)n1 2282594542 GZNCDLIJTZAGLD-HZPDHXFCSA-N 464.372 1.302 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282699187 HOBFLSZIJNQPDT-LSDHHAIUSA-N 463.388 1.832 30 10 JDEE CC[C@](C)(CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)N(C)Cc1ccccc1 2282840696 PARPJNWSKXCNHI-JOCHJYFZSA-N 477.440 1.693 30 10 JDEE CC1(C)OB(c2ccccc2CS(=O)(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2282846218 GIZZNDOWDMAATB-LJQANCHMSA-N 476.326 1.959 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2282849418 BDXWEOYSXYPAMS-GDBMZVCRSA-N 482.412 1.349 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2284120075 UJIWXNKGMOLHST-YESZJQIVSA-N 466.315 1.405 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CCO 2337393744 DCYWJHFUYUFRTJ-AWEZNQCLSA-N 467.397 1.886 30 10 JDEE Cn1cc(C(=O)NC[C@H]2C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2359268595 XSERDARETLLRHN-IIAWOOMASA-N 464.372 1.113 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2359390637 MMLJMBWKWXGXCH-KZNAEPCWSA-N 462.352 1.656 30 10 JDEE CCOC(=O)/C=c1\s/c(=C\c2ccc(C#N)cc2)c(=O)n1CC(=O)N[C@H]1CCCC[C@@H]1C 9396659 BAERMROPSSGNMG-NJGPAUBMSA-N 453.564 1.649 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)nnc12 11022712 UKUXUZUNRYCKLH-MRXNPFEDSA-N 489.623 1.994 30 10 JDEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(OC)cc3C)n2N)cn1 59914123 QUACLUPNXBLIQR-ZVBGSRNCSA-N 459.536 1.329 30 10 JDEE C=C1[C@@H](CC/C(C)=C\CO)[C@]2(C)CC[C@@H](O)C(C)(C)[C@H]2C[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O 248334517 LRKGVEXMBFESEF-UFZXTMOPSA-N 454.604 1.909 30 10 JDEE biogenic C=CCNC(=O)CN1CCN(C(=O)C[C@@H](NC(C)=O)c2ccc(Br)cc2)CC1 492418946 OVWIGIPDXNMPBH-GOSISDBHSA-N 451.365 1.463 30 10 JDEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnn(-c4ccccc4)n3)c2=O)c1 726580460 RGVVUUBNQWCPBY-UHFFFAOYSA-N 478.537 1.243 30 10 JDEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3cccc(OC)c3O)n2N)c(OC)c1 1084262617 SXAPABADQSUCPH-UHFFFAOYSA-N 473.515 1.900 30 10 JDEE CC(C)n1cc(C=NNc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cn1 1084557554 PGNNGDSIKIRDIU-UHFFFAOYSA-N 463.549 1.406 30 10 JDEE CC[C@H](C#N)Oc1cc(CNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)ccc1OC 1136766194 GXUYMEWWLZXZHR-TZIWHRDSSA-N 458.559 1.706 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1286342219 OHUOYIJZGUQGFQ-MRXNPFEDSA-N 479.006 1.918 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286383834 ZWHOOAAQIQCLIZ-RBBKRZOGSA-N 498.653 1.661 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(C)CN(C)C2=O)n1 1286471082 HOYOIUFXVPTRNL-QHCPKHFHSA-N 482.976 1.955 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC2(S(C)(=O)=O)CCC2)CC1 1286489636 AKOASVGJEXVMAU-UHFFFAOYSA-N 485.610 1.887 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccco1)N(C)C 1286522854 OCVJPGVSOALKPM-LRXVAGHRSA-N 476.603 1.499 30 10 JDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286613389 ZGXKRZIYFSFWJN-MRXNPFEDSA-N 467.617 1.876 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1286788932 KGDKDEBHTKOGIH-UHFFFAOYSA-N 462.514 1.801 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(CN2CCOCC2)CC1 1286789054 OBQUYUZNMYZZNH-UHFFFAOYSA-N 468.602 1.728 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](C(N)=O)C1 1286814674 DPRJBWXFXLACGZ-GFCCVEGCSA-N 486.367 1.759 30 10 JDEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)[C@@H](C)C1=O 1287775839 FIKJDVMYTXEJIH-XHNVNVPESA-N 482.585 1.962 30 10 JDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCN1C1CC1 1298741923 CTQQIRCYYSQFIF-FQEVSTJZSA-N 457.604 1.819 30 10 JDEE CNC(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CC1 1299173219 CMPDDMFJMYERSB-UHFFFAOYSA-N 495.628 1.928 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)c1cccc(O)c1 1300302553 BROIGWXATAQTDA-OAHLLOKOSA-N 450.499 1.989 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1300410248 MHOQLYKFEIQLOJ-QUCCMNQESA-N 492.671 1.969 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1300492996 QCBUZBXSPKCKEL-MOPGFXCFSA-N 473.574 1.973 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C(CC)CC)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300496636 SOUXGLISRPYWTN-VAMGGRTRSA-N 451.637 1.775 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1300500825 DOLCPJWTVYOGLI-TZIWHRDSSA-N 474.583 1.114 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cnn(-c3ccccc3)c2)CC1 1300710764 KMUKMVZDOZVJTK-UHFFFAOYSA-N 488.596 1.811 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1300716458 MEKOTPQCLAFTMX-QFWMQHCXSA-N 461.607 1.693 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1300716483 MQGXMZBFGRWLBD-ICSRJNTNSA-N 474.606 1.226 30 10 JDEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CC(N)=O)CC1 1300983725 NUVWHQAYDFESSS-UHFFFAOYSA-N 475.619 1.923 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1301187804 CEHYEKJAGYPIRZ-ZWKOTPCHSA-N 470.603 1.913 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCS(=O)(=O)C1 1301339760 SIQZPBLEBCBGSU-MOPGFXCFSA-N 454.556 1.728 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1301500127 JNORDDABJIIVCF-IIYDPXPESA-N 462.403 1.503 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1301500918 RATBPCKRDILJKK-FQEVSTJZSA-N 487.649 1.387 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1301501270 UMYFYRSLSQFQRD-OAHLLOKOSA-N 458.485 1.369 30 10 JDEE C=CCOc1ccc(Cn2c(N3CCn4c(nn(CC(=O)N(C)C)c4=O)C3)nnc2C(C)(C)C)cc1 1301529972 OQAGSHMKEQQBFG-UHFFFAOYSA-N 494.600 1.655 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCSC(F)(F)F)C1 1301557202 NIXJFZKAXBUSGE-ZIAGYGMSSA-N 485.554 1.645 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)nn2C)C[C@@H]1C 1301927297 BHEKQYTZQDEUEP-IBGZPJMESA-N 464.574 1.976 30 10 JDEE C#CC1(F)CN(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCN(C)CC2)C1 1309993825 BLTJXUIYCVZLHK-UHFFFAOYSA-N 451.568 1.658 30 10 JDEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1314976419 FXDSAXGXAFVMRR-NRFANRHFSA-N 461.473 1.072 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1358871480 GDKKJKBXRAEIGD-HRCADAONSA-N 456.613 1.849 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@](C)(O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1358960547 HAHBNXNQELRIPM-VGSWGCGISA-N 489.001 1.866 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358966487 PVXPZWWQPFHRHZ-QHAWAJNXSA-N 490.674 1.395 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1358976490 GMPSUTQGRKWIME-AVRWGWEMSA-N 460.538 1.849 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(O)CCOC1 1359020152 SUMXOOCZLSFHCV-FQEVSTJZSA-N 465.348 1.954 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCC(=O)NC(C)C)CC1 1359034481 RYYBBDLGZWKMNR-UHFFFAOYSA-N 476.585 1.345 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@]2(O)CCO[C@@H]2C)CC1 1359039457 JVVUNEMHQXNWLV-NTKDMRAZSA-N 455.559 1.551 30 10 JDEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359078480 DHCDNQTUMJPIKG-CQSZACIVSA-N 491.346 1.018 30 10 JDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NCCOC)CC1 1359121042 TXOJVDKUTGSNPK-UHFFFAOYSA-N 465.558 1.747 30 10 JDEE C=CCn1c(CCCc2ccccc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1359288984 QZKOTFXCLKSWEW-UHFFFAOYSA-N 450.547 1.106 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1359328089 STWZSQKOCSRJJI-NRFANRHFSA-N 488.658 1.771 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1359331557 CPBPZGBQKDPICS-SFTDATJTSA-N 486.642 1.931 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359333732 HYLUGZVXDOYBLX-QGZVFWFLSA-N 456.565 1.232 30 10 JDEE N#Cc1ccc(CNC(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc1 1478763624 GUMPKVAVXRMKRT-UHFFFAOYSA-N 457.512 1.331 30 10 JDEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCN(CC)S(C)(=O)=O 1495721445 BOECPFHUJOEZKU-KRWDZBQOSA-N 491.666 1.703 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(OC(F)F)c1 1507536567 CRPOIQRSOCCOCC-DZGCQCFKSA-N 470.502 1.114 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(F)cc(F)c1 1507538394 LTRLCWRHTSBLGT-KSSFIOAISA-N 453.515 1.590 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2nc(C)no2)CC1 1507588220 HOZDRGRXPHSTEX-QGZVFWFLSA-N 463.564 1.100 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1507626204 DLBDGSNTSMJHCY-INIZCTEOSA-N 462.963 1.146 30 10 JDEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCOCCCO)[C@@H]1CCS(=O)(=O)C1 1507631928 VCIZYJJSZOLGLU-GOSISDBHSA-N 471.583 1.463 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)Nc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1507632693 PEYOBLMXZKLZRA-MSOLQXFVSA-N 484.582 1.111 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN(C)CC(F)(F)F)CC1 1507736924 VJEWRPCQBGNJIZ-NRFANRHFSA-N 486.539 1.390 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1507772184 IHYIJARHHICQOK-SFYKDHMMSA-N 476.647 1.115 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOCC2CC2)CC1 1507904590 YZECKSJNYAFYJJ-IBGZPJMESA-N 453.609 1.830 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)CC[C@H]2C1 1507915570 CYQIIMWOKRFNOF-IRXDYDNUSA-N 466.608 1.024 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCCCC2)nc1 1507980378 GJZPQUXZCNMUBA-LJQANCHMSA-N 475.619 1.667 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN2C(=O)OC[C@@H]2C1 1508075108 UJBQQKXNAMOTIT-ZDUSSCGKSA-N 479.310 1.790 30 10 JDEE C=CCNC(=O)Cn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508099486 YZNKDSJHIWVRJZ-OAGGEKHMSA-N 461.567 1.018 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1508136412 GAFUAWPNFLBEJG-RHSMWYFYSA-N 468.963 1.560 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](OC)C(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508149455 VMNQQRMPQLJIEE-DYESRHJHSA-N 456.609 1.781 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1508415366 BBNIQOQLQLLZJB-SJORKVTESA-N 450.547 1.509 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 1538572108 NTGVOHGKMFXOLT-XLIONFOSSA-N 450.557 1.971 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2CCC(=O)NC(C)C)c1 1539040484 UKPMLNDPVFYOOV-UHFFFAOYSA-N 491.552 1.977 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1539052346 CZLKDVUZWJHUIY-HZPDHXFCSA-N 465.580 1.776 30 10 JDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1539230506 NHXHKAFXZHAPDL-LJQANCHMSA-N 466.567 1.210 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539492098 ZLGFOJOQWVSUPZ-LJQANCHMSA-N 495.609 1.986 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCS(=O)CC1 1539620909 OFEKQGCCRKNIBF-QUCCMNQESA-N 493.655 1.745 30 10 JDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539714599 OGVUNXMINSEJEO-HKUYNNGSSA-N 471.631 1.835 30 10 JDEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)N(C)C)c1 1554790930 DJGPSJDCISUCFG-IBGZPJMESA-N 452.512 1.296 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C2OCCO2)c1 1587639001 IRHWOSLVRCTINI-VQIMIIECSA-N 475.571 1.163 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1587861784 PNJDTFZGCQMZPR-RTBURBONSA-N 480.635 1.157 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN1CCCO 1587990345 WANPPBGEOHDKDW-OALUTQOASA-N 462.595 1.503 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1588045998 VLJOTTMJWFISGT-GOSISDBHSA-N 486.598 1.834 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1588064196 CRFZKKQRWAMPSO-QGZVFWFLSA-N 490.586 1.874 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)Oc2ccccc2F)CC1 1588741695 GZSLTVNWTFGCQD-DLBZAZTESA-N 464.567 1.250 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1593746770 MSMGTGJFVCNCPV-IBGZPJMESA-N 491.614 1.945 30 10 JDEE C=CCNC(=O)Cn1c(N2CCCN(c3nccs3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1595603212 ZNICJMPRAKOSHF-QFIPXVFZSA-N 475.619 1.794 30 10 JDEE CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C(C)=O)CC1 1615508131 GDMVJCZDGVEKNS-UHFFFAOYSA-N 461.574 1.741 30 10 JDEE N#Cc1c(F)cccc1N1CCN(c2nnc(-c3cnccn3)n2CC(=O)NCC(F)(F)F)CC1 1620347723 AYWRFCPXDOTQCM-UHFFFAOYSA-N 489.437 1.751 30 10 JDEE N#C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2COCCO2)CCO1 1620356591 CSZWEDMQSZFLBY-IAGOWNOFSA-N 464.320 1.764 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C(=O)OC)C[C@@H](C(F)(F)F)C2)s1 1629283621 KDYOIUJOLWBOKT-NWDGAFQWSA-N 454.492 1.955 30 10 JDEE C=CCOC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)C(=O)OC 1634058827 QAEYSVDLFBGIBW-OAQYLSRUSA-N 458.536 1.908 30 10 JDEE C=CCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)C(=O)OCC 1635699381 VUJKJSBJHDTORP-IBGZPJMESA-N 451.545 1.167 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](c3n[nH]cc3C(=O)OCC)C2)ccc1F 1642477109 CICJFCMLWVUNDH-AWEZNQCLSA-N 450.492 1.820 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(Cn2cnc3ccccc32)C(=O)OC)cc1 1647885785 ZJWPMUYYWRSQHU-QFIPXVFZSA-N 456.524 1.862 30 10 JDEE CN1CCC(CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)(N2CCOCC2)CC1 1686181270 FECPDCDWALUFQG-UHFFFAOYSA-N 456.591 1.739 30 10 JDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)c2ccco2)cc1 1689946790 WCNHTYXLHTYYGP-OAHLLOKOSA-N 456.528 1.851 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1689982015 GHGVEJZVJMWTMG-IFMALSPDSA-N 480.594 1.702 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1689982145 ITRRLSXXMOEAPS-DENIHFKCSA-N 476.603 1.151 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1689986948 ZXWWOXXENROGMC-HZPDHXFCSA-N 497.415 1.996 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cc(F)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1689995865 BHBCCNDOSONFPW-HXUWFJFHSA-N 486.573 1.962 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690013207 FUGANQRBMNLYKN-GOSISDBHSA-N 464.551 1.954 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1F 1690047816 ZIYUBSKDXXBFHJ-FQEVSTJZSA-N 459.547 1.456 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCNC(=O)c2ccccc2F)CC1 1690113444 JVNPUMAVRMYKBJ-DEOSSOPVSA-N 470.549 1.255 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1690117284 BOUYWFHNXVHFPE-LJQANCHMSA-N 482.585 1.212 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@]2(C)COCCO2)CC1 1690150811 WAWJEWCKQIURJH-VWLOTQADSA-N 451.571 1.835 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1690663305 RXKNWXPUTACFQZ-UHFFFAOYSA-N 463.542 1.194 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1690722316 FDOAHLGUVSPDDM-UHFFFAOYSA-N 471.562 1.797 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1690722505 LVKGZKAOUOLXRK-UHFFFAOYSA-N 461.592 1.118 30 10 JDEE CCN1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(C)=O)CC2)CC1 1695895827 DAWDGDBQYDGWMW-UHFFFAOYSA-N 450.591 1.513 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1CC)[C@@H]1CCS(=O)(=O)C1 1705560200 IKOMWGVVZRVDHP-VQIMIIECSA-N 479.628 1.126 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1705567610 ZDNPJFOWTBGXNW-ROUUACIJSA-N 461.975 1.752 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705570490 QNTZFNCHYVUKPK-QGZVFWFLSA-N 450.586 1.099 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCC[C@@H](O)C2)n1 1705631762 PJVWVIHMFZLFQL-WIYYLYMNSA-N 452.563 1.712 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@]2(N(C)C)CCSC2)CC1 1705647490 FOIIMGCBTDAURH-CVDCTZTESA-N 460.648 1.923 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cc(C(F)(F)F)ccn2)CC1 1705647965 OIUBUXKAQJEQNB-SFHVURJKSA-N 489.502 1.852 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C(C)C)C1 1705737334 ONBJKDLMXAYPDZ-QZTJIDSGSA-N 473.665 1.782 30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCNS(=O)(=O)CC)CC1 1705764697 JRRWJDSHNTVCHK-UHFFFAOYSA-N 496.659 1.681 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCN(C(C)=O)CC1 1705879580 DNGYIMFPZNCPJI-FQEVSTJZSA-N 490.630 1.172 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1705894915 ODMMMAIFXLXWSJ-HSZRJFAPSA-N 458.538 1.736 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1705903998 BKBRJCUFXQOFAQ-OAQYLSRUSA-N 497.625 1.066 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCn2cc(Br)cn2)C1 1705915449 UQMLHRHGTFBVTO-HNNXBMFYSA-N 452.357 1.857 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C(N)=O)CC1 1705938109 NBGISCXIWOVENP-UHFFFAOYSA-N 461.588 1.776 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705938599 DOGUYQINZKZBIV-IXDOHACOSA-N 480.591 1.378 30 10 JDEE CC(C)OCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1706710313 HPYQAGCHRGCPDY-CYFREDJKSA-N 454.575 1.904 30 10 JDEE CS[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1712725777 FEZGMGVBDPSPQY-HUUCEWRRSA-N 481.623 1.977 30 10 JDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1722339520 WOEYRFIGMHTFFY-UHFFFAOYSA-N 474.562 1.464 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1722360042 RGTOBWSNIRDSPD-QFIPXVFZSA-N 495.653 1.469 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(NC(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1722360968 KKZCVWWXNZKJBJ-KRWDZBQOSA-N 453.528 1.439 30 10 JDEE C#CCN(c1nnc(COc2ccc(Br)cc2)n1CCOC)[C@H]1CCS(=O)(=O)C1 1722372588 ZYJGZNZRDTYZQS-INIZCTEOSA-N 483.388 1.893 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1c2ccccc2C[C@@H]1C 1722413752 RDOIFQMRKRLBNS-GHTZIAJQSA-N 472.615 1.522 30 10 JDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722460558 YLCUZWJBRVILQA-IBGZPJMESA-N 489.671 1.832 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)nc2)CC1 1722583650 SPEJRVFYRZBFQW-GOSISDBHSA-N 462.576 1.465 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1722685344 FUFSIBLDAFORLZ-SFHVURJKSA-N 466.608 1.026 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1722697841 RDZFNICQHXQPLX-MRXNPFEDSA-N 462.514 1.096 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1722698053 BNDLTDJFPVFZAK-SFHVURJKSA-N 468.558 1.445 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1722724954 JUKQZEQVFPQGNX-SFHVURJKSA-N 452.625 1.135 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1722726005 WUDSPZQBZROUCN-UHFFFAOYSA-N 485.570 1.636 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@](C)(C(=O)NC)C1 1722729022 DBBAMRLDBYUGGP-NRFANRHFSA-N 467.542 1.710 30 10 JDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNS(=O)(=O)c2ccccc2)n1 1724503731 AZODYPOQTXUPTH-QGZVFWFLSA-N 453.528 1.356 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1740534218 XXXDBAXJTMVNCO-FCEWJHQRSA-N 474.587 1.512 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1740566031 BICQTZXYNWDIJT-KRWDZBQOSA-N 475.575 1.927 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1740624752 LQXAVVROXBJDED-KRWDZBQOSA-N 485.591 1.650 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740626749 WGJRBTLRCQWJRU-NHCUHLMSSA-N 458.632 1.867 30 10 JDEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1740628911 WGVJRPOGWFTKBK-GOSISDBHSA-N 473.624 1.808 30 10 JDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1nnc2n1CCCCC2 1740687635 DUIPJMWYYAPCGY-UHFFFAOYSA-N 468.587 1.722 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccc(Cl)cn2)CC1 1740695928 HQGTTXRYDXSPFM-INIZCTEOSA-N 464.979 1.063 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(C(=O)NCC)c2)CC1 1740706025 PUFOHRHGQSRGSS-OAQYLSRUSA-N 464.570 1.546 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1740876949 XRXXFWSFBOXKCU-AQNXPRMDSA-N 482.651 1.124 30 10 JDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1740948574 OOGGVDCGXAHUNH-KURKYZTESA-N 491.618 1.452 30 10 JDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1747656017 FJZZGILAKYJFGI-SFHVURJKSA-N 475.571 1.284 30 10 JDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CC(=O)N(CCOC)C1 1748790811 MTHVTNOYIVJUIR-SFHVURJKSA-N 474.606 1.957 30 10 JDEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1748817873 RVADFPMEYMHSRJ-HXUWFJFHSA-N 487.630 1.241 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1748863583 ALHZXLYWFNAVQK-FPOVZHCZSA-N 485.610 1.876 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCOC1=O 1748961276 ZUKMWFRIIFWDHQ-UHFFFAOYSA-N 465.514 1.120 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2CCN(CCN(C)C)CC2)CC1 1748984888 UZFRERWLLMECFX-UHFFFAOYSA-N 465.646 1.983 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C(=O)N(CC)CC)cc2)CC1 1748989641 AEBCSYQRQKMSBQ-OAQYLSRUSA-N 463.586 1.515 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1749024275 LKPORTGAHPKKJZ-UHFFFAOYSA-N 482.653 1.728 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)o1 1749038831 XWDRARXHVAAKBK-KRWDZBQOSA-N 453.590 1.515 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1COc2ccccc2O1 1749194261 ZBKULTNOZIVUQU-LPHOPBHVSA-N 463.560 1.463 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1749659730 IKIGDNJAQJULLG-LJQANCHMSA-N 484.601 1.813 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1749663739 PBCJZKZSMIZQNM-UHFFFAOYSA-N 451.506 1.750 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@H](CN3CCCCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749681659 FNSCMMDIHUKJGG-YKSBVNFPSA-N 460.623 1.933 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1749682916 CWHKIMCJOJETKC-GOSISDBHSA-N 474.587 1.251 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](C(N)=O)C1 1749724385 IOPZEQDRBURDCD-INIZCTEOSA-N 455.544 1.248 30 10 JDEE C#CCN(c1nnc([C@@H](C)CC)n1CC(=O)N1CCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 1760183578 SADBCUBOGSZHRX-RBBKRZOGSA-N 498.653 1.767 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1760206282 VHNRBPMPSDAILB-NJYVYQBISA-N 490.674 1.440 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H]1COCCO1 1760240519 UDQPYNGJNIISNL-VQIMIIECSA-N 465.551 1.473 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2nc3c(s2)CCCC3)CC1 1760254058 MSUQAMSKFSASHF-INIZCTEOSA-N 477.660 1.222 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760328574 XYJXUFVZQUTJKB-IPMKNSEASA-N 460.579 1.284 30 10 JDEE C=C(Cl)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760379262 MYVCUOWDOSOKBO-UHFFFAOYSA-N 460.966 1.825 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1760510110 GUZJSMNZCAFIPB-LJQANCHMSA-N 463.608 1.527 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCOCC1 1760522435 SYPXQUWDYAVXCC-INIZCTEOSA-N 450.540 1.115 30 10 JDEE CCS(=O)(=O)NCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@](F)(C#N)C1 1768298642 DBBLBJOSFURYKN-NRFANRHFSA-N 499.613 1.774 30 10 JDEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(OCCCCC)cc1 1865722463 RVTJEGORYGIJTE-QGZVFWFLSA-N 454.527 1.650 30 10 JDEE C=CCN(CC=C)c1nc(=NCc2cccnc2)nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]1 1871507747 WJSLTDINPBDNPF-UHFFFAOYSA-N 452.544 1.870 30 10 JDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cnn(-c4ccccc4)c3)CC2)CC1 1889841919 ZICJBWHOTFVEQU-UHFFFAOYSA-N 471.627 1.683 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H]1C[C@H]1CNC(=O)OC(C)(C)C 2267366802 KSWASEWOACNRQY-UONOGXRCSA-N 470.401 1.158 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2267372427 OLQLGHIRLVHZPT-LSDHHAIUSA-N 488.437 1.696 30 10 JDEE CC(C)(C)OC(=O)N1CC=C[C@H]1CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267706257 URGHMGXIFFESDR-INIZCTEOSA-N 465.381 1.835 30 10 JDEE COC1(CNC(=O)OC(C)(C)C)CC(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268638182 RGWAWVIXQLZKDB-UHFFFAOYSA-N 468.385 1.518 30 10 JDEE CN(C(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CC12CC2 2281942401 JIMAQDKMJWHCQH-CQSZACIVSA-N 461.372 1.586 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2CO)n1 2282039432 VGRQTIWRRRJEEG-ZBFHGGJFSA-N 464.372 1.067 30 10 JDEE C[C@H]1CC[C@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN1C(=O)OC(C)(C)C 2282302983 PULFXQGDYSKRSQ-KBPBESRZSA-N 485.416 1.181 30 10 JDEE Cc1cc(S(=O)(=O)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2282323264 ABSGYEBHESUMEK-ZWKOTPCHSA-N 482.408 1.865 30 10 JDEE C[C@@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282493080 RQXNOQILMBQWJW-AWEZNQCLSA-N 484.428 1.595 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H](CO)NS(=O)(=O)c1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1 2282494816 CTQQCBMREUBYTM-ZDUSSCGKSA-N 492.350 1.428 30 10 JDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2282535517 PINNOJJVJQNUFZ-HZPDHXFCSA-N 465.331 1.884 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 2282537763 VTKNJNUHDDQBPK-ZBFHGGJFSA-N 464.372 1.067 30 10 JDEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282829980 NOHJZBOSKNNRBO-OAQYLSRUSA-N 488.387 1.679 30 10 JDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282830297 RIXOJJBQLDSWGF-GDBMZVCRSA-N 484.428 1.643 30 10 JDEE C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282868906 UWIPAZKFVYOIEN-QGZVFWFLSA-N 475.424 1.257 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2284020107 IEKRWWWJSDIGGT-INIZCTEOSA-N 459.352 1.644 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2359392182 CZNBQGKUPLQIOD-HYVNUMGLSA-N 466.315 1.405 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1 2362460443 FEFPBXRVTANQHR-ZNMIVQPWSA-N 464.372 1.113 30 10 JDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2368866699 RBEAPMPNJHVGPG-VNQPRFMTSA-N 462.356 1.606 30 10 JDEE C[C@H](NC(=O)C(CO)(CO)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2370318411 VMOOTHQDHVRXGZ-HNNXBMFYSA-N 464.368 1.411 30 10 JDEE CCCCC(=O)O[C@H]1C[C@@]2(COC(C)=O)[C@@H](C=C1C)O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 27644771 QXHICULSTMOREA-FHAHJZMBSA-N 466.527 1.837 30 10 JDEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)c(OC)c1 102753038 FCWQFDDBCCBVGX-SADKCHQCSA-N 453.495 1.853 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)NC(=O)c2ccc3ccccc3n2)CC1 501662720 GWNUJYPPMJEDOS-NRFANRHFSA-N 469.611 1.533 30 10 JDEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cnn4ccccc34)c2=O)c1 729672390 LKNZMCHKWPEWBE-UHFFFAOYSA-N 453.527 1.556 30 10 JDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 917925319 BLZKALZKZQLOEW-CYBMUJFWSA-N 476.363 1.350 30 10 JDEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286388545 REFANHPPLOSSDD-LJQANCHMSA-N 480.594 1.988 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1286391270 CETQSSPUYOCTJF-FQEVSTJZSA-N 456.568 1.851 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cc(C)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1286397958 FEFVTMSMNYLBDV-ONTIZHBOSA-N 488.610 1.994 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286398611 ZJKINNCWDQERQD-DCLXLUIPSA-N 488.610 1.641 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCN(C)C1 1286418888 JYKTXJFRQQZSJQ-HSZRJFAPSA-N 454.962 1.391 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOc2cccc(OC)c2)CC1 1286480348 LUTIVKNPVGQAQW-IBGZPJMESA-N 473.599 1.413 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](OCCOC)C1 1286536451 PITPXYPQQXULRV-QWHCGFSZSA-N 452.375 1.039 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1286608267 PABLBRZZEOYTQY-IBGZPJMESA-N 471.587 1.366 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286782083 JWROUJMQKXSYTM-CYBMUJFWSA-N 494.781 1.877 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(C)C)CC1 1286791381 SFFWCPSVBSPYNB-LJQANCHMSA-N 491.637 1.809 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCN1CCOCC1 1286816899 MTCRJDDOZHBKHM-UHFFFAOYSA-N 463.560 1.043 30 10 JDEE C#C[C@@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Cl)cc1F 1297711573 BPUQHLAJLUOWKK-GOSISDBHSA-N 451.907 1.950 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC[C@@H]1COCCO1 1300318084 YKODZSPKHZDZRG-FYYLOGMGSA-N 452.603 1.906 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H](C)N2CCN(CC)CC2)c1 1300331986 VQQSIMPMWXAURR-FQEVSTJZSA-N 494.644 1.499 30 10 JDEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1300422437 NRIHMBJEHOLJBW-UHFFFAOYSA-N 454.506 1.337 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC2CCCC2)nc1 1300466038 SULWCERQPRPRQT-IBGZPJMESA-N 474.587 1.445 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300488690 GHACRVFUOWXRNU-GOSISDBHSA-N 473.599 1.743 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nnn(C)n1 1300642969 NSURSTHNRFAQEV-QFIPXVFZSA-N 454.510 1.669 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[C@@H](O)C2)n1 1300681491 RJZZRVOMCORSAT-QKNQBKEWSA-N 490.630 1.214 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCC2(F)F)CC1 1300711786 HMFGBWCDBSFJJX-NVXWUHKLSA-N 486.589 1.680 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)C(C)C)CC1 1301502300 FYHPUJZTAWKTRE-LJQANCHMSA-N 454.531 1.397 30 10 JDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1301508666 PWOZSHVLXWZZOI-UHFFFAOYSA-N 471.650 1.838 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C(=O)OC)CC1 1301576763 GZOCEFBDEAMRTH-UHFFFAOYSA-N 476.555 1.707 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](OCC(C)C)C1 1301587052 XFCFVWWGUAXYBE-MRXNPFEDSA-N 465.576 1.858 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](N3CCCC3)C2)nnc1[C@]1(OCC)CCOC1 1301595849 BZBMKUFWOPUGCJ-KNQAVFIVSA-N 467.636 1.596 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C2CCCC2)CC1 1302923678 CXLINBYXMGAWMM-XZOQPEGZSA-N 458.628 1.537 30 10 JDEE COCCN(CCOC)C1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1312624946 GRSXALHLXQJISA-JOCHJYFZSA-N 457.575 1.428 30 10 JDEE CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)n(C)c1 1352388051 FATZGZMGRXIZEV-UHFFFAOYSA-N 452.540 1.658 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)NC)CC1 1358922442 FJDZYJDSVYBABT-UHFFFAOYSA-N 459.576 1.070 30 10 JDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1358940204 QYOYIIUGAUNEGZ-JOCHJYFZSA-N 462.572 1.871 30 10 JDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccc(S(=O)(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1358957701 YLTMDMIFFZRCBG-WMZOPIPTSA-N 479.628 1.375 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OCC)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1358967512 LYKJHNUAPQZWOW-SFHVURJKSA-N 474.583 1.919 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1359030808 GMRRLHDIFCXRRR-SANMLTNESA-N 480.613 1.874 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccccc2)N(C)C)CC1 1359045569 MDYGBHJSHYEJLF-VXKWHMMOSA-N 498.653 1.449 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359106305 ZZEHSEWZPOJWFH-JLRUASKGSA-N 490.649 1.510 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)c2ccsc2)CC1 1359165712 VCEUULJTCDMDFI-YLJYHZDGSA-N 467.617 1.737 30 10 JDEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1359192526 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C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)Oc2cccc(F)c2)CC1 1507722333 UUMZZLCQLXZYSG-IAGOWNOFSA-N 464.567 1.250 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCOc3ccccc32)CC1 1507733554 CFNLBPKTFNDGAW-IBGZPJMESA-N 464.570 1.948 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1507804102 IKNVBISVNPODIK-RMMWZPCPSA-N 482.651 1.026 30 10 JDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1507821806 LEZKZDQNKJVDPV-UHFFFAOYSA-N 450.540 1.642 30 10 JDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1507843445 YARAZVRGJZCPFT-NHCUHLMSSA-N 482.633 1.954 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1508084363 NDANOQRFZUWJBI-UHFFFAOYSA-N 463.517 1.668 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)cc1 1508100730 NWMGHAUCWCZDMB-NLWGTHIKSA-N 490.582 1.154 30 10 JDEE CC(C)NC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1509753075 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C[C@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1545148116 HYCOKXLQVYNMSN-JPYJTQIMSA-N 456.547 1.037 30 10 JDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1CCOCC1 1547599267 BXIQOOIFCYRERQ-UHFFFAOYSA-N 460.604 1.798 30 10 JDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1552680572 HYQOMFYTFSBMKD-UHFFFAOYSA-N 450.547 1.679 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(C)C)cc1 1587638119 BULNMFZMBILVNA-FXAWDEMLSA-N 461.588 1.904 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(O)(CC)CC)c1 1587693983 YXXUWFJGPHUAKY-SFHVURJKSA-N 473.599 1.788 30 10 JDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1587847174 DTQZWVFZXSSABP-UHFFFAOYSA-N 493.659 1.512 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1588035300 RBTSIWHIIPFAQP-HOCLYGCPSA-N 453.590 1.442 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(-c2nc[nH]n2)cc1)[C@@H]1CCS(=O)(=O)C1 1588058755 BTUAPUOVBANWND-LJQANCHMSA-N 453.572 1.937 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(C)(F)F)cc1 1588138601 GKGBKQQXVLCVPY-IBGZPJMESA-N 477.537 1.844 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2CC2CCS(=O)(=O)CC2)n1 1588722848 HFRZVOUOPZEWSL-UHFFFAOYSA-N 483.598 1.648 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1588924106 VHKPEFHRGMESTQ-XMMPIXPASA-N 463.517 1.748 30 10 JDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1589042544 FXAACPOJNGGBGV-UHFFFAOYSA-N 453.616 1.841 30 10 JDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1589088672 FBFKBGHZUURRFO-UHFFFAOYSA-N 455.588 1.205 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)NCc1ccccc1 1589150357 FBUVLGRHWDZZLU-VGOFRKELSA-N 458.588 1.587 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1594626004 KEIODEIXHFXWHQ-ACRUOGEOSA-N 496.678 1.514 30 10 JDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1594914059 VEFRXARNPOFTAI-FQEVSTJZSA-N 464.578 1.486 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CN1CCCC1=O 1594963864 YRQOCUJFEWMCNP-HXUWFJFHSA-N 488.614 1.404 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1595537236 OEUATBKNBPHYIC-IAGOWNOFSA-N 462.913 1.902 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C)C(=O)[C@H]2C)cc1 1595614058 MVXXWILILIWIIJ-AEFFLSMTSA-N 459.572 1.460 30 10 JDEE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 1606615063 AETGHSZQUZUIKO-IBGZPJMESA-N 456.543 1.974 30 10 JDEE C[C@@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1613009918 GCGSUJUSAXVUGV-GOSISDBHSA-N 473.603 1.009 30 10 JDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C(=O)NC)CC1 1613441052 BMIUKLCIBKTVFZ-SFHVURJKSA-N 480.617 1.626 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c[nH]c4c(F)cc(F)cc4c3=O)CC2)cc1 1624061525 ABKWBXAYQCITKD-UHFFFAOYSA-N 458.446 1.825 30 10 JDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 1652814187 AFQHTHBKMIHDCQ-KGLIPLIRSA-N 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519872999 IFSZYOCYXDAQJL-UHFFFAOYSA-N 483.550 1.988 30 10 JDEE CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3)c(=O)n2CCc2ccccn2)CC1 523863787 BELOWXJIGXMMKK-UHFFFAOYSA-N 473.602 1.215 30 10 JDEE CCOCCn1c(=C(C#N)C(=O)c2cccc(OC)c2)sc(=Cc2cnn3ccccc23)c1=O 729669603 RYHJBOFXRCRYFB-UHFFFAOYSA-N 474.542 1.989 30 10 JDEE Cn1c(=O)c2c(nc(NN=Cc3ccc(O)cc3O)n2Cc2ccccc2Cl)n(C)c1=O 1081159519 GAHUKWIREKSEIG-UHFFFAOYSA-N 454.874 1.993 30 10 JDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 1142179092 GPDIMHJYIIWTNE-FOIQADDNSA-N 456.524 1.659 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cn2ccnc2)c1 1286296877 SDUIEZGFUUDUNU-GHTZIAJQSA-N 483.598 1.362 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1286397700 BYAGTBKABNEECJ-UFYCRDLUSA-N 459.572 1.267 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1286488615 PDCPNDQUSSCQBZ-BKSPAHHJSA-N 473.618 1.957 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCCn1cc(CO)nn1 1286527986 MQQBZWAYNHZVSS-OAQYLSRUSA-N 454.560 1.436 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286546679 KXXYAGSNRHKYQV-SQNIBIBYSA-N 468.624 1.163 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C(C)C)CC1 1286553010 CDPSQGVSJZPZRU-AABGKKOBSA-N 479.647 1.856 30 10 JDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286612105 AOBXEAYRMMXWGP-FQEVSTJZSA-N 477.635 1.737 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1286788077 PILOIWPYUJJMIT-QGZVFWFLSA-N 458.538 1.554 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCc1cnn(C)n1 1300317883 WWUCSDBATOIDMT-OAQYLSRUSA-N 461.618 1.862 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCCO)c1 1300333628 BDFDDZVUURFYJM-GOSISDBHSA-N 459.572 1.399 30 10 JDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1300372525 UCRMDYVUCKQBNO-UHFFFAOYSA-N 483.642 1.818 30 10 JDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N1CCOCC1 1300430969 QZJQQLYIMXWTKJ-JKSUJKDBSA-N 452.606 1.093 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 1300481983 CZVUTYLEMRANLV-PGRDOPGGSA-N 480.537 1.883 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1300489074 IJXNYASGKNAMCW-SFHVURJKSA-N 460.556 1.768 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1300767983 IPDJVYKODKWNOD-UHFFFAOYSA-N 499.616 1.667 30 10 JDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1301170383 TZLYIYJJZOQOMN-UHFFFAOYSA-N 452.563 1.691 30 10 JDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1301229744 YXPNTQDSJBQUED-OAHLLOKOSA-N 469.575 1.768 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)cc1 1301520925 TVHCBWNSLBULLB-UYAOXDASSA-N 469.542 1.487 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1301577566 LSGXICPOPXGFQH-HDICACEKSA-N 491.614 1.820 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1301587822 ACOFMKALNMQASN-GOSISDBHSA-N 489.598 1.441 30 10 JDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCc2ccc(OCC(F)(F)F)nc2)CCO1 1316538846 AWTJVJCGVFPPNW-INIZCTEOSA-N 479.463 1.708 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1358967832 TYZXOZVBQUUNBB-SFHVURJKSA-N 471.539 1.837 30 10 JDEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1359055160 UPNSPTWVFAJRKU-UHFFFAOYSA-N 495.609 1.336 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359098281 ZLDBQGIZWIMRHJ-SUMDDJOVSA-N 466.608 1.071 30 10 JDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1359202940 FQYAHGMQMQAXDK-ROUUACIJSA-N 451.593 1.364 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1359300546 FEUKKPXHBYXUCJ-LJQANCHMSA-N 495.632 1.447 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359301525 AWFYRHBHEIQGBT-NRFANRHFSA-N 465.526 1.464 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1359310042 KWVVVUGYIXCSJG-LMNJBCLMSA-N 491.614 1.431 30 10 JDEE C=C(C)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1467295699 AAIDJTOOCRAIMM-UHFFFAOYSA-N 458.378 1.755 30 10 JDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507582191 DHPPVMRNHXVQKD-UHFFFAOYSA-N 476.585 1.252 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1507622615 JWUBNWKSEPQCLK-LJQANCHMSA-N 464.636 1.165 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)CN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1507633164 BZVZOEAAJVWADX-GGAORHGYSA-N 499.685 1.164 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCN1C[C@@H](C)O[C@H](C)C1 1507666873 HWAXTJDCRLCRTR-RTBURBONSA-N 452.559 1.968 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1507713145 YUQVTHGCOOJZDP-FGZHOGPDSA-N 466.586 1.697 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C(=O)NCC)cc2)CC1 1507733832 MHWDEPMYZNBWMD-UHFFFAOYSA-N 479.585 1.180 30 10 JDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1507774782 BXMQPKMNDRVEPE-HUUCEWRRSA-N 499.439 1.692 30 10 JDEE C=C(C)COCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1507847566 AHCVABLBJGZHDU-WZONZLPQSA-N 476.578 1.384 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1507884333 GWLGNWSGNRBUOQ-IAGOWNOFSA-N 484.623 1.681 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(S(C)(=O)=O)CC1 1508089431 XGGVVOSZKOYYIL-UHFFFAOYSA-N 470.555 1.916 30 10 JDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1508091575 VJBBBJCXKUUMTE-UHFFFAOYSA-N 457.623 1.618 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)C1 1508109697 NFQQENVJBTXVNG-FHWLQOOXSA-N 474.585 1.544 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)CC1 1508164103 YKJBXOPAKIEICU-CQSZACIVSA-N 453.556 1.784 30 10 JDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1515284185 ICYPBJFSXOYNBX-INIZCTEOSA-N 463.464 1.800 30 10 JDEE CN(C)S(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1517028687 FKVWOEUYOKNRBH-OAQYLSRUSA-N 481.582 1.605 30 10 JDEE CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 1517412551 IFWVKDOKEHSUEP-DEOSSOPVSA-N 467.574 1.940 30 10 JDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1530619677 TVFXTNWPEVJCGP-IBGZPJMESA-N 451.545 1.167 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2Cc2ccc(C(N)=O)nc2)c1 1539040535 VTYBJOUKYFKTKJ-UHFFFAOYSA-N 468.521 1.882 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1539222683 XCHITVGPPMRAJI-YZGWKJHDSA-N 462.547 1.936 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(N(C)C)cc1 1539326101 RTFWZTYDHUGDIB-JOCHJYFZSA-N 484.626 1.383 30 10 JDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCCN1C[C@H](C)O[C@H](C)C1 1539412925 DUEVRNNLJPIWAH-HDICACEKSA-N 458.563 1.591 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(OCC(N)=O)CC1 1539499075 CVMJUXQCYCUNQN-UHFFFAOYSA-N 477.612 1.186 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1539706211 CBDOOHADVWXLNX-LSDHHAIUSA-N 466.530 1.260 30 10 JDEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1540854518 MPSCCRWFPUKWTC-UHFFFAOYSA-N 489.374 1.401 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](n2cncn2)C1 1540862140 SEXNCNJBNIWAIY-IBGZPJMESA-N 463.546 1.882 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN(CCOC)C(=O)C1 1540864815 LRKXDFMLKSCJGC-UHFFFAOYSA-N 495.353 1.444 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H](n2cncn2)C1 1540875433 LQTQPVHGIVERCX-KRWDZBQOSA-N 452.519 1.601 30 10 JDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@H]2C)C1 1541053243 AIZIPFVQILMGSK-WIYYLYMNSA-N 451.575 1.890 30 10 JDEE N#CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1555991916 ALCWQQAPSGJXHX-UHFFFAOYSA-N 489.533 1.844 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1588051036 ZPPNWLQGQNZGMD-UXHICEINSA-N 459.620 1.570 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1588128084 BWJYVRNGLFVXOG-IBGZPJMESA-N 457.538 1.662 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCOC[C@H]1OC 1588214017 FNOUHVIKEGTYGB-AZUAARDMSA-N 470.599 1.753 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(C)=O 1588647286 TYEGGBDIJXGLGZ-SFHVURJKSA-N 464.567 1.199 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2COCCO2)CC1 1588892185 YZJBVARFPCYPGB-LAUBAEHRSA-N 471.533 1.938 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C 1589579050 JGURPSOIMYQSBC-OALUTQOASA-N 474.606 1.064 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1615937776 HAOUVHVTZMNUID-HOYKHHGWSA-N 453.591 1.872 30 10 JDEE COc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc(OC)c1OC 1619070604 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C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)N1CCCC1 1690206711 XSUDBMUXRRODAR-CNNODRBYSA-N 464.636 1.478 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1690508207 DBZWXNQGWJURNN-IBGZPJMESA-N 471.587 1.366 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1CC1(C(N)=O)CCOCC1 1690553694 CYSPUMKUAYPMKP-UHFFFAOYSA-N 482.585 1.997 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690676030 NGGJDJYDIJAAKX-QGZVFWFLSA-N 451.524 1.312 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1690726834 NFEZFEPAMAXENV-QHCPKHFHSA-N 473.599 1.389 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC[C@@H]1CCCCO1 1692540078 HYFHEPZDXJTJAJ-IBGZPJMESA-N 452.563 1.969 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccsc1 1692793342 BHVPPNFDWMTUPP-HNNXBMFYSA-N 472.600 1.591 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1COC)[C@H]1CCS(=O)(=O)C1 1705562220 YWZPNNAMLWMYRP-FQEVSTJZSA-N 494.577 1.747 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CCNS(C)(=O)=O 1705576830 QXKRSZLRVFYCPI-UHFFFAOYSA-N 466.361 1.338 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCCC2)nc1 1705629128 YAPWANVGRNOASY-HXUWFJFHSA-N 472.615 1.700 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCOC2CCOCC2)CC1 1705635227 UKARUXIAAAYECP-DEOSSOPVSA-N 461.607 1.660 30 10 JDEE C=C(C)COCCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1705740143 CPVPDEUSYSQRIG-HSZRJFAPSA-N 478.594 1.097 30 10 JDEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(=O)N1CCOCC1 1705787744 CEQHJWDFYMNQSW-UHFFFAOYSA-N 465.562 1.818 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1705819334 JRZXKHQUVIIHNJ-WOJBJXKFSA-N 492.650 1.702 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1705894613 FDWZRGLPSCFUEY-INIZCTEOSA-N 459.982 1.694 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1705903257 RVUBBHIHKCUGSQ-IXDOHACOSA-N 451.593 1.266 30 10 JDEE 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CN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)C1CN(c2nccnc2C#N)C1 1891865722 ZBPNZTTWZIRRAO-UHFFFAOYSA-N 454.556 1.874 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)C1 2124543339 QFHDAXLZAFOUOO-INIZCTEOSA-N 472.413 1.961 30 10 JDEE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2c1cc(Br)cnc1C#N 2183496660 JEOLUGMQXICCOS-UHFFFAOYSA-N 457.350 1.940 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)CO1 2267471845 KODQFYUQQOTDFC-AWEZNQCLSA-N 472.344 1.954 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1CO 2267556392 WJBBFUKCEOGWEH-ZBFHGGJFSA-N 450.341 1.927 30 10 JDEE CN(C)[S@](=O)(=NC(=O)C#CB1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1 2267579918 ZYYDOJIOVDHEKM-JGCGQSQUSA-N 470.401 1.560 30 10 JDEE CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267606288 VQQPMDKFLBAJML-CQSZACIVSA-N 451.377 1.928 30 10 JDEE C[C@@H](NC(=O)CN1CC(NC(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2268636966 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COc1ccc(C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282541362 WVVBLYFXPRHWSH-INIZCTEOSA-N 464.368 1.952 30 10 JDEE CC(C)(C)OC(=O)N1CCC(CO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2282669521 VGQSOPQMMFEBSJ-UHFFFAOYSA-N 461.368 1.873 30 10 JDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2282844038 WXJKARREDMIXJU-SFHVURJKSA-N 493.460 1.763 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC1(C)C 2282848478 NWWRADQWDGSIIH-AWEZNQCLSA-N 484.428 1.786 30 10 JDEE CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@]1(CNC(=O)OC(C)(C)C)CCOC1 2283058754 BNQNYJQYGJNSOJ-QFIPXVFZSA-N 462.356 1.532 30 10 JDEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)nn1 2283968788 GPCXSWSLIOKOKC-MRXNPFEDSA-N 458.328 1.714 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2284120074 UJIWXNKGMOLHST-ULQDDVLXSA-N 466.315 1.405 30 10 JDEE Cn1cc(C(=O)N[C@@]2(C(=O)O)CCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2284474174 HXZCOFHFBWRQKD-QHCPKHFHSA-N 454.336 1.178 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=[S@]2(=O)CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C 2362490979 YQDBKBLPQYUNOG-GSLRCMBYSA-N 482.412 1.933 30 10 JDEE CC(C)(C)OC(=O)N1CCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](CC(N)=O)C1 2369254423 ZVTORWKSHKYVLH-INIZCTEOSA-N 460.384 1.869 30 10 JDEE Cc1nc(S(=O)(=O)N[C@H](CCO)COCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2369621199 KPGBZNWVVAKLNS-GOSISDBHSA-N 479.408 1.274 30 10 JDEE CCOc1ccccc1NC(=O)CSc1nnc(N/N=C/c2c(C)nn(CCO)c2C)n1N 59914467 DFWJOUQOGWYDGD-SSDVNMTOSA-N 473.563 1.373 30 10 JDEE [N-]=[N+]=Nc1cc2ccc(OCC(=O)NCCOCCOCCN3C(=O)C=CC3=O)cc2oc1=O 96031974 ZUHGUNAQHQHSCP-UHFFFAOYSA-N 471.426 1.188 30 10 JDEE COc1ccccc1[C@H]1/C(=C(/O)c2c(C)nn(C)c2C)C(=O)C(=O)N1CCN1CCOCC1 102754400 OSVHHWVYBXRZIE-AGGMBTAESA-N 454.527 1.799 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)CC1 499718642 LHPQLAONFJQWLE-UHFFFAOYSA-N 456.856 2.000 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)CC1 512713540 CRMGCTRMVQTNPL-KRWDZBQOSA-N 464.513 1.587 30 10 JDEE C=CCNC(=O)c1ccc(NC(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)cc1 590139487 YJGYVUGTXANGRC-UHFFFAOYSA-N 457.556 1.865 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1CCc1cccs1 727815078 VZMYOEFFDPOINJ-UHFFFAOYSA-N 488.598 1.600 30 10 JDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cc(OC)ccc1OC 729672638 ZHYIOOOMJYALCH-UHFFFAOYSA-N 489.557 1.593 30 10 JDEE N#CCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)NCC(=O)O 757396429 AATTYXVWDWVRCV-OAQYLSRUSA-N 478.505 1.905 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)c1 917955491 PSUAGTTYJJJXLH-UHFFFAOYSA-N 477.564 1.354 30 10 JDEE COCCn1c(NN=Cc2cc(Br)ccc2OC)nc2c1c(=O)n(C)c(=O)n2C 1081159580 MYZGDMNAEAFMGC-UHFFFAOYSA-N 465.308 1.297 30 10 JDEE Nn1c(NN=Cc2cc([N+](=O)[O-])ccc2O)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 1084014650 XFILWCMYYCSRCX-UHFFFAOYSA-N 473.431 1.691 30 10 JDEE CCOC(=O)NC(=O)CSc1n[nH]c(NN=Cc2ccc(OC)c(OCn3cccn3)c2)n1 1084047135 WOWHMAUCUWUGKV-UHFFFAOYSA-N 474.503 1.857 30 10 JDEE C#CCN(C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)[C@H]1CCOc2ccc(Br)cc21 1146862174 OAWIOQUGBZFUIR-CJNGLKHVSA-N 456.362 1.650 30 10 JDEE C=CCNC(=O)CNC(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1152532153 NXAIHQOLTCECJW-HXUWFJFHSA-N 450.495 1.188 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 1286382104 QWJBREFPHZLNAC-KRWDZBQOSA-N 477.537 1.662 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1286387247 BVVYZNJWPVBQGS-UJQZNKFNSA-N 492.623 1.500 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)Oc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1286389732 PMZRWXXBDSGFCH-AEFFLSMTSA-N 470.530 1.968 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCS(=O)(=O)C1 1286391428 DKGCTAMBYNGRJA-SFHVURJKSA-N 490.630 1.358 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1286394269 HYRNEJVVXAEVFI-CQSZACIVSA-N 476.609 1.401 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1CCN(CC(F)(F)F)CC1 1286410796 WVDRPXUUDLQSJP-GOSISDBHSA-N 471.549 1.917 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(F)cc2C)CC1 1286487748 XQBRTYFBIKNLAA-KRWDZBQOSA-N 490.605 1.544 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C2(CCC2)C1 1286508349 HRHHLIWFDOHNCC-ZWKOTPCHSA-N 467.661 1.994 30 10 JDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1286715335 XTQZOPPEODVYPQ-QAPCUYQASA-N 462.576 1.676 30 10 JDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286790469 NBMJIUMSXSZZOE-UHFFFAOYSA-N 481.601 1.330 30 10 JDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1297992644 FQAKAGUNVAAGIS-HXUWFJFHSA-N 479.585 1.950 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1300482186 DNQCKEFMTDVMED-JTSKRJEESA-N 495.552 1.240 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1300483591 KUBLSZFACKEDSR-HZPDHXFCSA-N 457.622 1.095 30 10 JDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1300495885 KLLVDZBRGXPZAB-BPXKWBHBSA-N 460.556 1.578 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCOC(C)(C)C2)CC1 1300727555 ZSCBUHHPZDNUJI-FQEVSTJZSA-N 458.607 1.596 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(F)ccc2OC)CC1 1300727601 ZXOGOBPIXAACMN-KRWDZBQOSA-N 489.573 1.342 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1300801318 NJEMXXSIDRMPDI-JOCHJYFZSA-N 454.556 1.712 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCC1 1300806443 VOPOVJWYNRXHSF-FXAWDEMLSA-N 450.609 1.087 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)CC 1301348688 GVWHEALNYWTXHG-LJQANCHMSA-N 476.603 1.282 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1301497100 OHCPHAIWPCAXBW-HNNXBMFYSA-N 487.561 1.802 30 10 JDEE 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457.604 1.160 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359095473 OPCIXDKPENBXIE-AZUAARDMSA-N 467.574 1.495 30 10 JDEE C=C(Cn1c(-c2noc3c2COCC3)nnc1N(C)CCNS(C)(=O)=O)c1ccccc1 1359139065 KPEXDLGUXGLOQO-UHFFFAOYSA-N 458.544 1.705 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359189189 CXCXUCCVCRTOEV-JKSUJKDBSA-N 459.638 1.253 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCNC(=O)C(C)C)C1 1359318523 GUURHFRXIQEFNB-QGZVFWFLSA-N 465.558 1.746 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C2CC2)C(=O)C1 1359327434 AQGZFBIRWORZAW-INIZCTEOSA-N 477.562 1.969 30 10 JDEE C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)N(C)C 1360568007 AYSMXPFPCBJLPM-XMSQKQJNSA-N 499.641 1.726 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@@H](N(C)C)C2)cc1 1468547523 ZERYRTYZASFCMB-QUCCMNQESA-N 450.605 1.458 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C(N)=O)nc1 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CC(C)(C)OC(=O)N1CC(O)(CCNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282868052 HZFZSNOUAKCSGJ-UHFFFAOYSA-N 482.408 1.636 30 10 JDEE COc1cc([C@H]2C(=C(O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)ccc1O 2296943153 AONDXXAPSVGAPJ-IBGZPJMESA-N 458.423 1.740 30 10 JDEE COc1ccc(OC)c(C=CC(=O)[C@@H]2C[C@@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)c1 2328074049 BPDDQDBEHDDBHW-UWJYYQICSA-N 477.517 1.819 30 10 JDEE C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 14128410 WJHHVCCYLJBCAD-BAHJLIKDSA-N 450.572 1.703 30 10 JDEE COc1cc([C@@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)cc(OC)c1OC 72444292 IZMAKQXWCHZPLC-PBHICJAKSA-N 497.508 1.363 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1286310172 REIANMHRLKIFNT-BZZOAKBMSA-N 498.547 1.866 30 10 JDEE C#CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC=C(C)C)[C@H]1CCS(=O)(=O)C1 1286388674 UJHFJAPFZCFKLC-FQEVSTJZSA-N 466.571 1.904 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1286399092 YGTITZVIGBYQQD-RCCFBDPRSA-N 486.660 1.258 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CCN1CCN(C(C)=O)CC1 1286460109 UPKVUVBIEBRDBF-UHFFFAOYSA-N 489.418 1.958 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccs1)N1CCOCC1 1286460989 LNVAGQUMAJFYIP-IBGZPJMESA-N 472.615 1.735 30 10 JDEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H]2C[C@H]3COC[C@H]3N2C(=O)OC(C)(C)C)CC1 1286484698 VDBDALTUXXIBFX-SLFFLAALSA-N 474.606 1.594 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC23CCC(CC2)C3)CC1 1286487597 WUMUOIJMTKCBFO-YPHUNTSASA-N 462.620 1.434 30 10 JDEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](C(N)=O)C1 1286706439 OKVNTDGRPCHRLC-QGZVFWFLSA-N 475.619 1.841 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1286767796 GNBYYZWNSJTUSE-WAIKUNEKSA-N 454.531 1.371 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1286776354 VCPLURBYVWFDMJ-HKUYNNGSSA-N 489.621 1.562 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 1286786017 MRZKRXNJXQEKJS-AZUAARDMSA-N 494.600 1.878 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286792379 VZDDVLBQXWCHEV-LJQANCHMSA-N 477.587 1.571 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](N3CCCC3=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286793343 WRIHYDIZJYLTDI-FDDCHVKYSA-N 460.579 1.212 30 10 JDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1286974896 ATEGVULOIFICRX-HUUCEWRRSA-N 465.601 1.652 30 10 JDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1299273365 BJYSXTAKVSCYJV-FQEVSTJZSA-N 452.563 1.125 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCO[C@H]2C)c1 1300331922 UPWPTUGXAQFPMZ-XDHUDOTRSA-N 466.542 1.110 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccccc1S(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1300480040 XCMNQFARSJXXON-SFHVURJKSA-N 493.655 1.501 30 10 JDEE C#CCN(c1nnc(COCC)n1CCCn1cnc2ccccc21)[C@H]1CCS(=O)(=O)C1 1300503803 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NXPJSHJNUCCVBL-UHFFFAOYSA-N 492.584 1.643 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1301497460 XKYGLBWFCAAXES-UHFFFAOYSA-N 499.597 1.763 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1301594846 KFMHQWJUTKEELN-BEFAXECRSA-N 459.638 1.582 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCN(C(C)=O)CC2)CCO1 1301909757 ACVJTWDZACVIKZ-QHCPKHFHSA-N 495.584 1.329 30 10 JDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)C[C@H]1OC 1302417685 AIRJLLDSIBVJPX-BGYRXZFFSA-N 466.498 1.602 30 10 JDEE COc1ccc(NC(=O)Cn2c(C(F)(F)F)ccc(C#N)c2=O)cc1S(=O)(=O)N(C)C 1307388350 CXDKSOPELHMLJT-UHFFFAOYSA-N 458.418 1.636 30 10 JDEE Cc1nn(C)c(N2CCN(C(=O)Nc3cccc(N4CCS(=O)(=O)CC4)c3)CC2)c1C#N 1310185206 GYZFDEVNYVNDQT-UHFFFAOYSA-N 457.560 1.189 30 10 JDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccnc2OCC(F)F)CCOC1 1314137522 BCLSNGHCTQELNZ-HRAATJIYSA-N 464.473 1.746 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)c1 1358903121 LRFIKLOAGXDCCK-UHFFFAOYSA-N 457.494 1.970 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(C)cc1 1358994830 XJMLHMRJXMPEMS-IRLDBZIGSA-N 485.610 1.850 30 10 JDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(C(F)(F)F)c1 1359018905 GFHXYVWSDUNGGE-ZDUSSCGKSA-N 460.482 1.436 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCOc2ccc(C)cc2)CC1 1359029136 PGBSHVOLMPYYQN-LJQANCHMSA-N 460.604 1.421 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCN(C)c2ccccc2)CC1 1359040139 JQRORTGFLHEZEH-UHFFFAOYSA-N 451.575 1.519 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](c2ccccc2)N2CCOCC2)CC1 1359047540 KOVRRLGDNPNXRF-QHCPKHFHSA-N 480.613 1.854 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)c2cccs2)CC1 1359047925 YUGVQIUFXMIGEV-QGZVFWFLSA-N 456.572 1.587 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCO[C@H](C)C2)CC1 1359048585 WERGSEQPJIVLME-QCFAMHMHSA-N 459.591 1.783 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCO[C@@H](C)C2)CC1 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1359335490 MYIRUIDACOTUNI-UHFFFAOYSA-N 460.482 1.787 30 10 JDEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)C1 1502961992 HRLHIVCIKMSVID-TWEIKEKHSA-N 489.598 1.672 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1507589203 UWZOMCKUOYDMDA-AABGKKOBSA-N 494.662 1.546 30 10 JDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1507591609 MAPXETYKWNWOCP-TZIWHRDSSA-N 452.559 1.205 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1S(C)(=O)=O 1507616332 JBIDPQVKACMKAY-SJORKVTESA-N 482.607 1.080 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1507638886 HOUFVLPEEWITQL-WMZHIEFXSA-N 474.583 1.252 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1507639743 LWVBOAFAGOSKTD-KRWDZBQOSA-N 475.546 1.149 30 10 JDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCN(C(C)=O)CC1 1507677618 DBFVARBALRNBOL-UHFFFAOYSA-N 471.993 1.485 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(NC(=O)CCC)cc2)CC1 1507722212 RGXGRVLKYFWUDN-SFHVURJKSA-N 487.630 1.430 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(F)c(F)c2)CC1 1507739878 GMJHGRSGOANOLY-UHFFFAOYSA-N 470.524 1.887 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1507751285 LZELHIQWCIOGRG-JXFKEZNVSA-N 464.617 1.032 30 10 JDEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1507827332 IKNCHNJMPNTUQT-UHFFFAOYSA-N 474.928 1.780 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1508058550 BZWLUIJYHDUPSA-LSDHHAIUSA-N 489.524 1.854 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N2CCCC2=O)CC1 1508075061 VRXROZDLROYIER-UHFFFAOYSA-N 453.503 1.747 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1508089889 KVUBZCRWQVZWPW-HXUWFJFHSA-N 454.575 1.947 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1508094557 YUGGUPSXXGYYSW-FGTMMUONSA-N 465.620 1.656 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2sc(C)nc2C)C1 1508126425 RPINGKXASRPQQT-MSOLQXFVSA-N 496.659 1.708 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1508141003 KTBORMONXUCYPR-ZWKOTPCHSA-N 450.609 1.142 30 10 JDEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1508155945 UEEJOACPAJJFSG-INIZCTEOSA-N 455.544 1.464 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1515957503 CUNPLNJYJJQWKQ-MSOLQXFVSA-N 451.531 1.914 30 10 JDEE CC(=O)N[C@@](C)(C(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1ccc(S(C)(=O)=O)cc1 1517839648 BBMPBWAISWUPMB-JOCHJYFZSA-N 455.540 1.057 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1OC 1539177958 CKWABULANNCFDT-VQIMIIECSA-N 463.560 1.157 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1539200287 FPJYAAISLKAYTN-IBGZPJMESA-N 473.599 1.879 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1539315786 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C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(C(N)=O)CCOCC2)CC1 1588763108 RMUXQGCTHYKCLU-UHFFFAOYSA-N 498.584 1.008 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CCC2(O)CCOCC2)CC1 1588961598 FQASOGWTZGUTRN-UHFFFAOYSA-N 481.597 1.797 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1589070722 WYZPVDDITQYVLH-CABCVRRESA-N 465.567 1.619 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NCCOC)CC1 1589485283 YAUJEEWJPCHREM-CTNGQTDRSA-N 497.600 1.886 30 10 JDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(NC(=O)OC(C)(C)C)COC1)C1CC1 1595054736 PXORCQQNZSQOSU-OAHLLOKOSA-N 467.592 1.629 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1595497116 QGKPVGSHTFINNX-LJQANCHMSA-N 481.601 1.389 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-n1ccnc1 1611307619 DNPBIEXEPBMNDE-YLJYHZDGSA-N 484.586 1.583 30 10 JDEE COc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCN2S(C)(=O)=O)cc(OC)c1OC 1619071607 FQSOKUKOLSNDCS-NVXWUHKLSA-N 492.602 1.991 30 10 JDEE CC(=O)N1CCN(c2ccc(NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)cc2)CC1 1643121489 CPQRLTIAFBEHTI-MRXNPFEDSA-N 455.540 1.532 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1689982653 RLCFKZDYBBJVPJ-UTKZUKDTSA-N 479.628 1.679 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689994280 VMAVNOOHYCSGMB-NHCUHLMSSA-N 491.683 1.914 30 10 JDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1690175555 ZQFHIJKUXAVZTF-LJQANCHMSA-N 454.600 1.909 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690237123 VROZHGZILTXMQI-NXHRZFHOSA-N 453.609 1.801 30 10 JDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1690523254 XMLNOVVBMOLKLE-IBGZPJMESA-N 488.662 1.803 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1690663198 PDBMPSDNAYVJNM-NRFANRHFSA-N 460.542 1.838 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690723521 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453.385 1.610 30 10 JDEE COc1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)c1 1711930851 ASTQIUQKDOGZCM-HXUWFJFHSA-N 474.587 1.798 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc(-c2ccccc2)n1 1722293565 CZAAXPBVCSQTDK-VQIMIIECSA-N 470.555 1.772 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1722323873 IEOTXKSBHVZWOV-MSOLQXFVSA-N 464.636 1.777 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1722367474 LVUIFHPUSMHQFD-SFHVURJKSA-N 498.609 1.634 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1722369785 HABLNQGEMINNCZ-RBUKOAKNSA-N 492.623 1.227 30 10 JDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1722370662 DHELKWXTFZGLTE-FQEVSTJZSA-N 482.610 1.823 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1722428066 BIUAYSVZTGDEBF-VXKWHMMOSA-N 487.626 1.167 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(=O)NCC(F)(F)F)CC1 1722436138 XWNGPVBYLXUFJC-UHFFFAOYSA-N 450.421 1.108 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)N(C)C)CC1 1722443137 DAPBPDZDTDYLJB-QGZVFWFLSA-N 472.615 1.265 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCC(=O)N(CC)CC)CC1 1722447665 LNZFEYJBDKFSBS-FQEVSTJZSA-N 458.607 1.787 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN(C)CC(F)(F)F)CC1 1722449888 SQTMUPMWTJBJQT-UHFFFAOYSA-N 494.566 1.990 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)c2c(C)noc2C)CC1 1722450077 WMEVCEALKCNPKD-MRXNPFEDSA-N 467.574 1.775 30 10 JDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1722613689 MQJKQHNUTNRXJS-UHFFFAOYSA-N 454.579 1.585 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1722623658 KEEVHSIJPMKBQD-AZUAARDMSA-N 488.614 1.503 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1722731008 ASIAGUIZMSPPRJ-WIYYLYMNSA-N 493.605 1.754 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1722737148 VISQCUMWGZIJAZ-RTBURBONSA-N 463.608 1.855 30 10 JDEE CC(C)[C@@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1723942136 BRYACADEIYORJH-MBSDFSHPSA-N 489.646 1.884 30 10 JDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1729311465 FVQYJNMBAORDDK-HXUWFJFHSA-N 467.574 1.366 30 10 JDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1729616521 GJZWKHJINTZYQM-SFHVURJKSA-N 469.590 1.658 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccc(F)cc1 1730762239 BXDLUFPJMYAZJO-IERDGZPVSA-N 465.551 1.593 30 10 JDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@](F)(C#N)C1 1731010784 FIWIKXVFSIDQNI-UZLBHIALSA-N 466.514 1.862 30 10 JDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(S(=O)(=O)NC)c1 1740610182 UECRRQPYIYXSAT-UHFFFAOYSA-N 480.598 1.478 30 10 JDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1740615842 MEBOFCYESIBYJX-YJBOKZPZSA-N 479.990 1.523 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1740616205 VZIMXHYJRULLHV-LJQANCHMSA-N 471.583 1.392 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740620068 TVZCIYINFAOHLB-QUCCMNQESA-N 494.639 1.646 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1740631908 DTWAEYFWMZDBEX-UHFFFAOYSA-N 494.353 1.372 30 10 JDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(C(N)=O)CCOCC1 1740660586 WRZZZINXRNPXDR-UHFFFAOYSA-N 458.950 1.603 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(F)cc2)CC1 1740685365 FEUBJNJMWREOBM-FQEVSTJZSA-N 491.589 1.568 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C(F)(F)C12CCC2 1740686832 XEBCIXGBVASJOF-CVEARBPZSA-N 473.546 1.132 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H](C)CS(C)(=O)=O 1740764158 AUFCHRSOUMJUNM-BCYZHJNNSA-N 456.609 1.853 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nc(C)cs2)C1 1740981133 NZSUXFGOMBQVML-JKSUJKDBSA-N 468.605 1.206 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1740988840 RBVOKQJGSDQULU-NRFANRHFSA-N 481.582 1.828 30 10 JDEE C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@]1(O)CCS(=O)(=O)C1 1741973071 HMXKEFNTPLMFPI-AVYPCKFXSA-N 451.524 1.845 30 10 JDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)C[C@H]1C 1746453909 FJQMEJLUFLBMCX-CTNGQTDRSA-N 481.601 1.754 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC2(CS(C)(=O)=O)CC2)c1 1748694293 DKPNAMQZZIWKPE-UHFFFAOYSA-N 498.609 1.282 30 10 JDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1748752059 RCDSBFPAQSBPPL-HXUWFJFHSA-N 459.572 1.970 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1748819995 WPYRCMXUOXEFKV-QGZVFWFLSA-N 456.597 1.958 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@](=O)CC 1748944918 IXKKCPYBASVTRN-SFNQZPIRSA-N 452.577 1.728 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)CCCO2)n1 1748971563 VJUHFDCPKMCOGG-PGRDOPGGSA-N 476.603 1.232 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cccc(O)c1 1749038094 OICTZIAEQFYUCT-VQIMIIECSA-N 479.628 1.880 30 10 JDEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749257796 ALYSNAUAAFSUJA-UHFFFAOYSA-N 488.976 1.986 30 10 JDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1749323819 MKGYLNHSHVVRPL-UHFFFAOYSA-N 460.560 1.268 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1749649850 COMVWDZTPYVOMU-UHFFFAOYSA-N 487.568 1.465 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](NC(C)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749682081 OCYOJEORNXWNPR-OKZBNKHCSA-N 475.594 1.456 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCO[C@@H]2C)C1 1749713455 TYHJXPWTKZNYAB-FVJVTNMWSA-N 493.605 1.908 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1749721978 XXEGEQIIVYBGGX-WMZOPIPTSA-N 452.625 1.470 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@](C)(N2CCOCC2)C1 1749729518 MFMBYMZQKOSAAF-QHCPKHFHSA-N 475.615 1.856 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749734966 OWQLZEZFRFKIIK-UHFFFAOYSA-N 461.654 1.328 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC(C)(C)CN(C)C)CC2)c1C#N 1751827326 AWMYDGCLYFBLDD-SFHVURJKSA-N 468.610 1.057 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760181305 SBZDFCYFDZDJPH-YKSBVNFPSA-N 493.674 1.679 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccnc1OCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1760188950 RQKFSHIGDMXUTO-DLBZAZTESA-N 499.515 1.793 30 10 JDEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760190612 XVPOESZNDARFDB-ZWKOTPCHSA-N 497.625 1.252 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCSC1 1760218478 HOJJXCARBLCVLD-HSZRJFAPSA-N 451.600 1.783 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cc(C)cc(C)c1 1760235694 UVGJHYIESSQJBY-HXUWFJFHSA-N 461.588 1.766 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760312905 GLITUYDSQCPWBM-RXVVDRJESA-N 482.589 1.117 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OCC(F)F 1760464479 IHCRHHJTTQYBMZ-HNNXBMFYSA-N 472.518 1.320 30 10 JDEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CCC[C@@H]1NC(=O)NC1=O 1760484164 OXILJXVTVVWKQS-INIZCTEOSA-N 457.560 1.756 30 10 JDEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1760508026 BMPVIUFGSOFMQQ-UHFFFAOYSA-N 466.586 1.936 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1760535392 PXZGWGVCUXBZMC-UXHICEINSA-N 468.606 1.733 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCCS2)C1 1760542680 JHHLLLHSGFVNTN-FGTMMUONSA-N 471.649 1.678 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3ccccc3Br)nnc2N2CCO[C@H](C#N)C2)CC1 1760621004 XJXHPEAIEKWKAE-QGZVFWFLSA-N 488.390 1.600 30 10 JDEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)C1 1767673043 CHVAUKCIWLCFRL-UYAOXDASSA-N 467.574 1.412 30 10 JDEE O=C(CCOCCOCCNC(=O)OCC1[C@@H]2CCC#CCC[C@@H]12)ON1C(=O)CCC1=O 1857791936 HVVMKCPRACMDSI-IAGOWNOFSA-N 450.488 1.183 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N=c1[nH][nH]c(CC#N)c1C#N 1866005880 GVZYQSVSGPLKCS-KRWDZBQOSA-N 452.471 1.735 30 10 JDEE N#Cc1cccc(NC(=O)[C@@H](CO)NC(=O)c2cc(-c3cccs3)n([C@@H]3CCS(=O)(=O)C3)n2)c1 1866833281 PVIKPSXTKMHKSP-SJLPKXTDSA-N 499.574 1.572 30 10 JDEE N#Cc1nnn(-c2ccc3nc[nH]c3c2)c1NC(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 1870151138 NFVFBSVQGJIMHW-ZDUSSCGKSA-N 456.422 1.705 30 10 JDEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)NC[C@@H](O)Cn2ccccc2=O)CC1 1891387711 QKDJSAFWXGGULS-MRXNPFEDSA-N 453.524 1.830 30 10 JDEE C=CCNC(=O)CS(=O)(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990658693 ZPQGTQMVSSGXBQ-HXUWFJFHSA-N 472.519 1.695 30 10 JDEE CO[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C[C@H]1NC(=O)OC(C)(C)C 2255634239 OATHSSDRSRPRHE-KGLIPLIRSA-N 453.370 1.806 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H]2C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256626304 ILYWUJPENVLOCW-FRRDWIJNSA-N 450.370 1.843 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H](CO)C1 2267139093 BCMGJXAUYSYRGB-KGLIPLIRSA-N 450.345 1.057 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C 2267372876 VLSXSPPJYFADTL-CQSZACIVSA-N 470.401 1.397 30 10 JDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2267539981 OOIWYDYAOXZZPY-FQEVSTJZSA-N 467.353 1.636 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](CNC(=O)OCc2ccccc2)C(F)(F)F)n1 2267543126 BSNMKWTVLRGHPE-AWEZNQCLSA-N 497.283 1.701 30 10 JDEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2269794456 WZEUTJGYKBKUDJ-CQSZACIVSA-N 490.453 1.944 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2271975393 BSBMBBBZQDMCLQ-HIFRSBDPSA-N 470.401 1.301 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2281930633 NTWUJZAULSJYRK-JLCFBVMHSA-N 462.356 1.607 30 10 JDEE Cc1nc(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282508862 CDAIEHQUAONOFE-VQIMIIECSA-N 474.436 1.969 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282533743 APUZFSYIXXHVDX-JOCHJYFZSA-N 465.331 1.622 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCN(C[C@H](C)O)C(=O)OC(C)(C)C)n1 2282588273 FBAACARXUAONBN-HNNXBMFYSA-N 466.388 1.550 30 10 JDEE CC(C)(C)OC(=O)N1CC(C[S@@](C)(=O)=NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283071554 GMXJKYYZAZMTFG-MGBGTMOVSA-N 480.396 1.881 30 10 JDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283956201 JEILEMWPHXGIMO-QGZVFWFLSA-N 459.352 1.338 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)CC2(O)CN(C(=O)OC(C)(C)C)C2)n1 2287306660 SOTASLKQBJXRNE-UHFFFAOYSA-N 464.372 1.256 30 10 JDEE CCCNC(=O)CSc1nncn1N=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2321260587 GVUFEYBCYRJJDG-UHFFFAOYSA-N 462.576 1.498 30 10 JDEE C#Cc1cccc(-n2c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc3cnn4ccccc34)c2=O)c1 729672578 VSZHSVKLVANUPL-QGZVFWFLSA-N 483.553 1.182 30 10 JDEE C#CCN(C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 918754811 HSZNRKNBHMBXGF-NXZBIGBUSA-N 450.582 1.348 30 10 JDEE N#CC1=c2oc(=O)c(=Cc3cccc([N+](=O)[O-])c3)n2-c2oc(N)nc2[C@@H]1c1cccc([N+](=O)[O-])c1 1084074441 VGOURTKCLRJNLP-QGZVFWFLSA-N 472.373 1.466 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCC1CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1286382595 SPCOSAMDONUHRS-ADKAHSJRSA-N 451.593 1.248 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CCN(C)C(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1286385034 LACAXFHWNBEGKB-GOSISDBHSA-N 450.653 1.228 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1286396695 XTHQYIAOKAEVRN-IBGZPJMESA-N 453.572 1.289 30 10 JDEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1286397584 SXJURLPJBRVRAK-GOSISDBHSA-N 475.640 1.984 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N1CCCCC1 1286409271 PSRRAXBLFFGGOK-UHFFFAOYSA-N 467.599 1.714 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(c2ccccc2OC)C1 1286465408 MQYNKBWWQCWZOE-OALUTQOASA-N 452.559 1.850 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](F)COC)CC1 1286488585 OUJPIRCMBQJTMV-XMSQKQJNSA-N 451.543 1.269 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286499005 HKEOILDLEILAQC-INIZCTEOSA-N 450.586 1.952 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1286784285 CEWJQNGCBJNHKT-GOSISDBHSA-N 483.592 1.956 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(CC(=O)NCC)CC1 1286784911 YAIGPLUMVIVVPM-UHFFFAOYSA-N 490.406 1.268 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CS(C)(=O)=O)cc1 1300308435 OXAISIUZFMFHCQ-CRAIPNDOSA-N 450.586 1.231 30 10 JDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1300429028 YIBPNGFBWBKMNO-ACRUOGEOSA-N 458.607 1.548 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300481913 CQMFZRRPROETDG-GCJKJVERSA-N 468.620 1.761 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1300488813 GXUSNPLTMURCCN-HTAPYJJXSA-N 460.556 1.852 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1300497512 ZMMZJNOJJWQYOF-ZWKOTPCHSA-N 484.644 1.014 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1300502845 YNJQLPFINNYJGA-MRXNPFEDSA-N 496.515 1.489 30 10 JDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCSC1 1300591670 UNSXUMDKURLLGE-SANMLTNESA-N 478.666 1.974 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COCCO1 1300671214 FDHJTBVNLOHOAW-QZTJIDSGSA-N 465.551 1.088 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCNC(=O)C(C)C)CC1 1300729192 PYSQXZMZANTMFI-UHFFFAOYSA-N 471.631 1.762 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1300729259 SHVKJNDOKHVDQR-ROUUACIJSA-N 456.591 1.570 30 10 JDEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1300972584 NBMBIKIZANYOPO-UXHICEINSA-N 452.559 1.560 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1301481466 MCNLILCHFXXYAO-FQEVSTJZSA-N 479.585 1.049 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCC(F)(F)F 1301485530 XEQNQIUYNKHJHJ-UHFFFAOYSA-N 474.509 1.886 30 10 JDEE C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)CC1 1307650315 OTYDGPUSSVFBKZ-UHFFFAOYSA-N 450.948 1.301 30 10 JDEE COc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1309610437 DXIFEAMGJGZZNC-DLBZAZTESA-N 461.544 1.982 30 10 JDEE C#Cc1cccc(N(CC(=O)NC)C(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)c1 1351843136 ZFWJYQKHZZQDOC-UHFFFAOYSA-N 452.536 1.608 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCCNC(C)=O)c1 1358900846 TYJDMSVQBDOAQT-UHFFFAOYSA-N 451.531 1.097 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OC)nc1OC)[C@@H]1CCS(=O)(=O)C1 1358961775 FEPYTQYIIUENIR-QZTJIDSGSA-N 475.571 1.259 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1358978311 JCWWHQIOYIZJAS-QRVBRYPASA-N 475.615 1.899 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2(S(C)(=O)=O)CCCC2)CC1 1359043140 IXGKLBOGGPKJLR-UHFFFAOYSA-N 472.615 1.607 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2cccc(C(N)=O)c2)CC1 1359044794 OTUYYAUJUNLICK-HXUWFJFHSA-N 450.543 1.089 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC2CCOCC2)CC1 1359090114 VEKORCDZVLLVPS-RTWAWAEBSA-N 460.623 1.946 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359096663 FITPLVTVKYECRS-APWZRJJASA-N 463.608 1.520 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C2CCCC2)CC1 1359292105 IJVLFHPFZFJZCH-UHFFFAOYSA-N 452.563 1.682 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](CNC(C)=O)C1 1359296171 ZJHDEIUZTLRZHR-OAHLLOKOSA-N 467.357 1.895 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(NC(C)=O)nc2)C1 1359312767 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C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCCCC2=O)CC1 1595838055 JTORQVXPFFPUME-RXVVDRJESA-N 495.646 1.584 30 10 JDEE CC[C@H](C)c1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCS(=O)(=O)NC 1613314152 FYVICJSMKVXWSH-AWEZNQCLSA-N 462.580 1.404 30 10 JDEE C#CCN(C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCOc2ccc(Br)cc21 1683565329 MGEOANQYHGVLLL-GDBMZVCRSA-N 456.362 1.951 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCO[C@@H]2C)c1 1689868403 FWKMYSDOCQARGX-BAEUJYSMSA-N 497.596 1.915 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@H]2CCCN2S(C)(=O)=O)c1 1689868699 OURQAMSFVVXYTL-LJQANCHMSA-N 458.588 1.882 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689988487 PYMMPEXSDOSYQC-AEFFLSMTSA-N 461.519 1.052 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(F)c(COC)c1)[C@H]1CCS(=O)(=O)C1 1689993597 HRSPXMYUEFBRRK-IBGZPJMESA-N 489.573 1.361 30 10 JDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CCNS(=O)(=O)c1ccc(C)s1 1690082973 VMVJQGQKMKJUJJ-UHFFFAOYSA-N 461.617 1.948 30 10 JDEE C#CCSCCn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1690186410 PKJGDRSBKKOXDU-HTAPYJJXSA-N 476.603 1.063 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690218420 FZFQVCWMUHLBOM-UHFFFAOYSA-N 491.456 1.965 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2ccnn2C)C1 1690235970 GVTHLFVTQNPDIM-MLYOOKFZSA-N 477.635 1.987 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(c2nc(C)no2)CC1 1690301652 XQCNHTRVVWBCAI-HNNXBMFYSA-N 467.596 1.731 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1690432453 DPNRNSICFOFZFN-OXJNMPFZSA-N 456.634 1.798 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1690676998 KLCNNNPCZQPYFO-JOCHJYFZSA-N 472.571 1.912 30 10 JDEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690744061 JHTWQIVSIPYYSG-SFHVURJKSA-N 477.660 1.995 30 10 JDEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1690947784 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C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCNC(=O)c2ccco2)CC1 1286494834 TXLBDAMNIDDCHH-UHFFFAOYSA-N 452.559 2.000 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1286781016 MLXADDPLTKOGDV-UXHICEINSA-N 468.558 1.834 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1286793965 QZMYUNWJRCQZBI-GRWTVWFQSA-N 459.522 1.541 30 10 JDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(S(C)(=O)=O)cc1 1300459988 YTIHNZIWJQDMKB-UHFFFAOYSA-N 465.583 1.973 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cc[nH]n1 1300642897 XBCZVZUMQVPZIK-UHFFFAOYSA-N 464.505 1.446 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(=O)NC(C)C)CC1 1300716875 UBZJWQPXJDJZAG-UHFFFAOYSA-N 474.569 1.826 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1300801158 HVPAEQFFDYHOQF-GQIGUUNPSA-N 454.497 1.875 30 10 JDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1301228925 AQVIOXCFBURUCV-FQEVSTJZSA-N 477.635 1.737 30 10 JDEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1301383013 CRVKBGOBELSIDG-NRFANRHFSA-N 456.528 1.322 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1301422635 RFUFOCCKYIWIEG-HSZRJFAPSA-N 451.531 1.309 30 10 JDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(S(=O)(=O)CC)CC1 1301450536 YZCAHMWRSAFJNX-UHFFFAOYSA-N 452.606 1.828 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1301490986 BLJDVNHLOHVLGC-UHFFFAOYSA-N 455.563 1.886 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](C)(C(=O)NC)C1 1301569046 OMZGETKSRSUULR-IBGZPJMESA-N 499.435 1.609 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1301569353 WSQQIXXBIQQRMS-VQTJNVASSA-N 480.679 1.915 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1301589908 ZXVYDXDSHBFCKJ-INIZCTEOSA-N 455.581 1.440 30 10 JDEE C#CCN(CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)CC(=O)OC(C)(C)C 1307908318 KNHGHMUGQCMUQP-ATVHPVEESA-N 458.540 1.511 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cn2cccn2)c1 1358890636 SIXLBIAMJXGWIX-GHTZIAJQSA-N 483.598 1.362 30 10 JDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 1358938326 XPNYQPWHMAFJJN-PXNSSMCTSA-N 460.604 1.803 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1358967122 DUMPDEXLBXIKHB-JFIYKMOQSA-N 461.592 1.000 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1358967449 KQVMXMRUJOLGLE-PCCBWWKXSA-N 488.610 1.586 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CS(C)(=O)=O)c1 1359018417 OTCCRSJTUIQQJN-UHFFFAOYSA-N 459.572 1.193 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1359023611 PUNWMDVZNORHHN-SFHVURJKSA-N 498.609 1.757 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1359030469 WPZKMIDTQXIEBQ-BVAGGSTKSA-N 487.693 1.348 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2COCCO2)CC1 1359045780 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473.581 1.534 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1508059028 KGLZSKBKNVXFNZ-IRXDYDNUSA-N 468.624 1.176 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1508095680 QWRVVAVUZPGXRD-GOSISDBHSA-N 480.573 1.261 30 10 JDEE Cc1ccc(S(=O)(=O)NCCn2c(-c3cccnc3)nnc2N2CCO[C@H](C#N)C2)s1 1511028996 FRRDKIRUAJMNRC-MRXNPFEDSA-N 459.557 1.417 30 10 JDEE CNS(=O)(=O)c1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@](F)(C#N)C2)c1 1517620008 DYIWIMPWJZEXBD-NRFANRHFSA-N 472.550 1.538 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC(=O)N1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1539216847 XPULKWXPPVJLGG-GOSISDBHSA-N 458.588 1.693 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1539230910 RJPVRNSKCWCINI-VWPQPMDRSA-N 488.610 1.844 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCS(=O)(=O)C1 1539391770 ISUVWSFKSSJYOQ-QZTJIDSGSA-N 480.587 1.394 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(S(C)(=O)=O)CC1 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1.332 30 10 JDEE C=CCOC[C@@H](NS(=O)(=O)c1ccc(C(=O)OCC)cc1Br)C(=O)OC 1622074056 RDBWYSKOLJXBQG-CYBMUJFWSA-N 450.307 1.648 30 10 JDEE COc1cc(CNS(=O)(=O)c2cccc(Br)c2C#N)ccc1OCC(N)=O 1660817928 CZZLLSWXKLCNTH-UHFFFAOYSA-N 454.302 1.672 30 10 JDEE C=CCOCCNC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1674730358 HMAWCDJDCWAFBH-MSOLQXFVSA-N 451.568 1.766 30 10 JDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(S(C)(=O)=O)CC1 1689892625 JQURZNWSPCTHMT-UHFFFAOYSA-N 472.619 1.337 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1CCN(C(=O)OC)CC1)[C@H]1CCS(=O)(=O)C1 1689998488 NKXWQOPDVVTFGQ-ZWKOTPCHSA-N 465.576 1.235 30 10 JDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1690177128 KPEHGIRIOGNFJJ-UHFFFAOYSA-N 463.629 1.716 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCn1ccnc1C 1690206416 QMUMJLLOVXMIBR-DENIHFKCSA-N 475.619 1.588 30 10 JDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1690308392 MMQVNDKVUMASSR-SIKLNZKXSA-N 468.606 1.707 30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1690367373 LTATUAIFMGOXFC-VGOFRKELSA-N 461.588 1.892 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCc2ccccc2F)CC1 1690669642 KWYGKIZLJNYBEI-LJQANCHMSA-N 456.522 1.856 30 10 JDEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)N(C)C)C[C@@H]2C)CC1 1690828652 LJCYEOVFMJZNEQ-PGRDOPGGSA-N 478.601 1.284 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N1CCOCC1 1705492731 WDYKVBIUGGYAAL-TYPHKJRUSA-N 457.600 1.712 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCSCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705566732 PSHFNILJXOUVKK-OLZOCXBDSA-N 465.523 1.151 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1705567606 ZDNPJFOWTBGXNW-MSOLQXFVSA-N 461.975 1.752 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN(CC(C)C)C1 1705582432 AZHMTDMOOCUOSN-NHCUHLMSSA-N 476.647 1.052 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1705638890 ATMSWZUIJIQQAO-MOPGFXCFSA-N 452.550 1.283 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1705725657 MFLIDJODBFRMTK-KSZLIROESA-N 498.650 1.927 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705905030 GTHDUTJVRCOZKE-HXUWFJFHSA-N 469.565 1.053 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1705905327 RNNTUUUVDGVHRQ-UHFFFAOYSA-N 479.629 1.614 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)NC(C)C)C1 1705925037 JVTGECSXSWHDFX-ROUUACIJSA-N 478.594 1.892 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1705932199 OSIMGEMEMCPJDG-SFHVURJKSA-N 462.620 1.873 30 10 JDEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1706245912 DQYBNDZVQSKOHL-PXDATVDWSA-N 465.602 1.967 30 10 JDEE CN(C)C(=O)CCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1710978934 BFAQGQJXSXDVPE-HXUWFJFHSA-N 465.558 1.718 30 10 JDEE CNS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1711425664 BISOMTXOWPGHJN-CQSZACIVSA-N 456.981 1.502 30 10 JDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCC2CCN(CC(F)(F)F)CC2)CCO1 1712886000 FMYMYKAVVLHWKG-QGZVFWFLSA-N 469.512 1.794 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722358785 LKHXRRKERUOUKM-OAQYLSRUSA-N 484.626 1.667 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722361128 LJRHVECYWPFVRJ-SFHLNBCPSA-N 473.647 1.673 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1722370208 MAOJUKQFZCHLII-QGZVFWFLSA-N 488.545 1.947 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)cc1OC 1722397879 VYQPWNWLHLFUDU-LJQANCHMSA-N 456.568 1.903 30 10 JDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC(=O)N(CCOC)C1 1722413469 MSZWKAPKNPZIFK-RBUKOAKNSA-N 490.605 1.541 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC(NC(C)=O)CC1 1722554349 DKZBMKXLCMXGLE-JCYILVPMSA-N 475.015 1.247 30 10 JDEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1)c1ccccc1 1722596385 HXUCJJKPJKCUEQ-UXHICEINSA-N 488.614 1.297 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1722694535 YJIFJECPAVVPGO-MRXNPFEDSA-N 461.530 1.694 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1722700945 ZZLCFWOQLNTDCA-MRXNPFEDSA-N 469.571 1.411 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722730313 OKKCQOUSRVWOJC-GOSISDBHSA-N 452.602 1.287 30 10 JDEE CC1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 1726631056 BQJQKOYWMVVQML-UHFFFAOYSA-N 457.604 1.630 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1740611171 VUHUWVWSFCEVMP-HXUWFJFHSA-N 487.561 1.362 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccnc1OCCC)[C@H]1CCS(=O)(=O)C1 1740621597 OBHSHHNIPRNQQV-IBGZPJMESA-N 469.571 1.537 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1740627576 ITNHJCUWYHCYEH-WIYYLYMNSA-N 450.536 1.488 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1740703629 ZBDWTURRGNIKEB-BCHFMIIMSA-N 481.597 1.998 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1740707341 YVRNGTSEUMSMJU-HXUWFJFHSA-N 483.638 1.968 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(C)cn2)CC1 1740707754 OOSCTYBCMBVCEG-UHFFFAOYSA-N 472.553 1.900 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1740710399 YWBCLABDGXNCBD-LAUBAEHRSA-N 463.629 1.661 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740749705 CSFDNZASVLEJEI-YJMBLLCNSA-N 487.649 1.386 30 10 JDEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740844318 HMCYMIXVTVKDFN-LJQANCHMSA-N 490.630 1.749 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-c2nc[nH]n2)cc1 1740932805 WDZANOKCDWZLLY-IBGZPJMESA-N 484.586 1.623 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CCC(=O)N(CC)CC)CC1 1740946887 KUAIFYQLBVSNOQ-LJQANCHMSA-N 482.651 1.662 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CCOC)CC1 1740958038 HKEDGOKHPJADNT-IBGZPJMESA-N 491.637 1.463 30 10 JDEE CCCN(CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1745603648 DDMPAUUWACMNHW-UHFFFAOYSA-N 465.606 1.839 30 10 JDEE CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1746543701 CMNJRLOKZMLZJF-UHFFFAOYSA-N 481.557 1.733 30 10 JDEE CCOc1ncccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1746893002 HYKXLMXJEHLMOF-UHFFFAOYSA-N 475.557 1.852 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C(CC)CC)N1CCOCC1 1748672064 PYKMXIFURQZNAN-TYPHKJRUSA-N 496.678 1.206 30 10 JDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1748703119 JUZIYYZXGKFKJZ-SFHVURJKSA-N 456.572 1.708 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1748805749 VQDIYMMQHYKOKD-MZKRTTBSSA-N 479.647 1.431 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1748808035 GSRKRWMCOVQFTA-HNNXBMFYSA-N 497.419 1.435 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N1CCCC1 1748826231 PJGMZMUMYOMXBB-CTNGQTDRSA-N 454.600 1.798 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(C)CN(C)C1=O 1748864153 RPHMVVHIJUDDRE-QHCPKHFHSA-N 452.946 1.803 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncn(-c2ccccc2)n1 1748948074 GYPNYYSAFSYQBW-UHFFFAOYSA-N 457.498 1.640 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1748971435 PFUSXHGWZQEPPY-QHCPKHFHSA-N 456.978 1.830 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCc2cnn(C)n2)CC1 1749005947 BXRJDPFREYABHQ-UHFFFAOYSA-N 492.584 1.689 30 10 JDEE C[C@H]1CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CCCO1 1752397637 GNGKDMUNKFXFJE-GHTZIAJQSA-N 472.615 1.941 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1c(CC)nn(C)c1OC)[C@@H]1CCS(=O)(=O)C1 1760190122 OIEQQEZUCRUNEX-GOSISDBHSA-N 483.598 1.243 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1760191766 MWQXZJFKBKGORU-QPHCHLROSA-N 478.640 1.869 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCC(=O)N2CCCCC2)CC1 1760268522 LGUFQLZWYOXETG-UHFFFAOYSA-N 450.547 1.104 30 10 JDEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760357091 DMDOMMDQVLLJRQ-MSOLQXFVSA-N 499.634 1.803 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(C)noc1C)C1CC1 1760476852 IOHWZJHZTVXETI-SFHVURJKSA-N 450.565 1.613 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760514633 CAAXEAKACWKQSL-UHFFFAOYSA-N 497.625 1.870 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN2CCOC[C@H]2C1 1760550781 JGDABIKTYOVLKB-GOSISDBHSA-N 451.980 1.720 30 10 JDEE CCCNC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1766231859 DPPALBPVWVSGEU-VQTJNVASSA-N 486.598 1.546 30 10 JDEE C=CCN(CC=C)c1nc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n([C@@H]2CCS(=O)(=O)C2)n1 1870004707 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C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1359299753 MTNBJWQOEYUQLU-SJORKVTESA-N 458.567 1.303 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1359300661 HUFIQOGCZLKBCC-SFHVURJKSA-N 492.646 1.148 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1359303838 CDOJZNLHZKTXMT-XMMPIXPASA-N 465.558 1.332 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCS(C)(=O)=O)C1 1359322584 YSVXKELFQMPICN-IRXDYDNUSA-N 485.607 1.412 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1359326887 MCNHKPZIDWWTNJ-INIZCTEOSA-N 484.623 1.368 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1359328185 WKFOBAZIIIYMSF-INIZCTEOSA-N 494.419 1.813 30 10 JDEE C#CCOc1ccc(F)cc1NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 1465545311 BKPZYQAMQIPKDX-UHFFFAOYSA-N 459.499 1.943 30 10 JDEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1503731511 CMMJDRZXULNHHA-CPJSRVTESA-N 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MMDUJKYPEPFZLI-MRXNPFEDSA-N 472.571 1.551 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1508079336 QYZPKTBLQUBORT-MSOLQXFVSA-N 468.558 1.760 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCn2nc(C)nc2C1 1508098423 OYSHYTFDBYYOQE-INIZCTEOSA-N 471.566 1.572 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)cc2F)C1 1508122513 DYDPLHMTKCCNFI-UYAOXDASSA-N 495.577 1.588 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1508133007 BEZKBHRODGDXJC-IFMALSPDSA-N 484.626 1.965 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1508135082 JMQGSSKFOFJJSJ-SFHVURJKSA-N 467.979 1.541 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1508140469 NYWSEHGHENHGLY-ZDUSSCGKSA-N 475.497 1.219 30 10 JDEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)CC1 1513196679 HHCJZNANKGTTRE-STQSFFJQSA-N 483.642 1.765 30 10 JDEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1539050220 ZOEHWLZPQODBRO-IBGZPJMESA-N 457.531 1.726 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1539126647 ZJLYAPFLXICPGZ-SFHVURJKSA-N 494.021 1.399 30 10 JDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1539179129 NNQSIARKYZVOFT-HKUYNNGSSA-N 457.556 1.415 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 1539201063 VFEPDKYNUZORAA-MRXNPFEDSA-N 451.499 1.370 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1539211433 LONMRLIZQRYNGE-QZTJIDSGSA-N 460.556 1.386 30 10 JDEE C#CCN(c1nnc(COCC)n1CC(=O)Nc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1539230213 DEBMZWCWGOGGRB-GOSISDBHSA-N 459.572 1.697 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCC[C@@H]2C)n1 1539422830 MFDFSEREFWKVRZ-YADARESESA-N 469.590 1.548 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CC)C1CC1 1539556871 JHGVLQNHBBREIY-WIYYLYMNSA-N 450.609 1.087 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCCN(S(C)(=O)=O)CC1 1539630956 HPXZICJROALGRU-OTWHNJEPSA-N 453.609 1.973 30 10 JDEE C=C(C)Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1539712238 UMJAIIJWUQQQAJ-UHFFFAOYSA-N 452.559 1.147 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1539918037 ZRFPAOOMZUHVPU-QZTJIDSGSA-N 495.650 1.254 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(=O)NC)CC1 1539966245 HXMHRGXQCBXYSI-GOSISDBHSA-N 468.624 1.320 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1540876357 OTCMMGZGOIONAS-SQNIBIBYSA-N 487.605 1.615 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1C[C@@H]2OCO[C@@H]2C1 1540908980 UABKCGYIPKNHJV-HDICACEKSA-N 450.517 1.028 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1587861783 PNJDTFZGCQMZPR-RBUKOAKNSA-N 480.635 1.157 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1588024511 FWIJMIRVHJEAMR-ZDUSSCGKSA-N 455.993 1.806 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588025336 XCABKMVBQFCXPC-AZUAARDMSA-N 472.615 1.568 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cc(COC(C)(C)C)on1)[C@@H]1CCS(=O)(=O)C1 1588055255 UKYQHDMORFFYAH-FUHWJXTLSA-N 477.587 1.760 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(F)(F)CC1 1588646433 JXLCEGQENMCLSH-QGZVFWFLSA-N 475.562 1.523 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(C)CCOCC2)CC1 1588892047 WCNXNHAQNRMHKD-XMMPIXPASA-N 459.591 1.713 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1588976386 WKYOCBIBNLPORP-ICSRJNTNSA-N 496.641 1.281 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)CC1 1589070278 RNLFABNDTGFXBK-GOSISDBHSA-N 478.619 1.621 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1589149853 AODWNHVIMRDQNA-FRQCXROJSA-N 492.568 1.534 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nc3ccccc3o2)CC1 1595475756 FKZSLZFJQGHFGT-HNNXBMFYSA-N 487.586 1.716 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1595788732 ICSPIXPDANVFGL-SFHVURJKSA-N 456.576 1.991 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1595824222 YYACOHVUVFIBHK-IBGZPJMESA-N 475.619 1.656 30 10 JDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(S(C)(=O)=O)CC1 1603682712 BHJFWVFZTYZYOK-INIZCTEOSA-N 458.592 1.431 30 10 JDEE CC[C@@H](C)[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1613121066 GMWVAFNLWMQRAS-MZNJEOGPSA-N 483.621 1.438 30 10 JDEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2CCNS(=O)(=O)c2ccccc2)CC1 1620354441 FILAHKFRYJDPQT-UHFFFAOYSA-N 457.560 1.119 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)s1 1633426156 MQTJIOJEDWXDFT-UHFFFAOYSA-N 451.545 1.879 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)s1 1640432279 ZGKWCQADKDLMDX-VXGBXAGGSA-N 460.521 1.189 30 10 JDEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(S(C)(=O)=O)CC1 1689935983 ZTOLJZVAQAUARN-UHFFFAOYSA-N 485.658 1.138 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1690031533 NZABDMNGNYDVPK-UHFFFAOYSA-N 497.607 1.974 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)c2ccccc2Cl)CC1 1690143820 CQDYDYUKFHIQTH-DVECYGJZSA-N 484.988 1.756 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCC(=O)NCCC)CC1 1690150337 DGICJSZFQVEKRE-UHFFFAOYSA-N 457.604 1.516 30 10 JDEE C#CCSCCn1c(N2CCN(C(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1690186193 MBWOXOMGWWPOOO-JOCHJYFZSA-N 462.620 1.634 30 10 JDEE C=C1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCCNS(C)(=O)=O)CC1 1690380077 AXRQDIQHZICNSZ-UHFFFAOYSA-N 487.674 1.739 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccc(C(F)(F)F)n1 1690526709 CDHMKUGTPFYVLW-ZDUSSCGKSA-N 475.497 1.285 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCOCC1 1690558243 JEFQHBWGPWJBTB-KRWDZBQOSA-N 474.587 1.494 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@H]1C(C)C 1690597642 ZQYONARQSOLRCF-QYZOEREBSA-N 453.609 1.851 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(CC)C(=O)C1 1690662057 PRQRZWAYOQSFHP-UHFFFAOYSA-N 450.341 1.397 30 10 JDEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(=O)(=O)CC)CCS1 1694968303 GTWABDHNKWTFTC-SFHVURJKSA-N 464.617 2.000 30 10 JDEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)CC1 1695588024 BPNWOULHKJATHH-UHFFFAOYSA-N 476.589 1.374 30 10 JDEE CN(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccco1 1696600997 BAIPISQBODSBBD-HXUWFJFHSA-N 499.597 1.706 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 1705525003 WMKDLSWDBGNEDR-CVEARBPZSA-N 476.607 1.445 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1705569124 ZTNAOASDXMRDDJ-FZEVHQGJSA-N 476.624 1.703 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)N(C)C 1705575575 PCXDJBZUHCMCQG-UHFFFAOYSA-N 453.366 1.010 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCc2sccc2C1 1705588633 HRRDFAJRBNXNHP-KRWDZBQOSA-N 460.629 1.471 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2cnnn2C)CC1 1705646273 CYNKLYKMWOEJRM-UHFFFAOYSA-N 470.484 1.689 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705857721 JUJCEABHHGIHCJ-NRFANRHFSA-N 497.625 1.860 30 10 JDEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705891895 CVGVHZFDVMMYJC-UHFFFAOYSA-N 485.614 1.811 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705931275 LCWXJWXOVXZCDD-KRWDZBQOSA-N 488.035 1.717 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1705931831 BVBIJSJNIHMYNV-KRWDZBQOSA-N 479.607 1.725 30 10 JDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)NC)CC1 1705942336 PDCGJJQOTAAKBG-UHFFFAOYSA-N 464.617 1.729 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CCO1 1706054575 CMGMTGYFHFWICE-FYYLOGMGSA-N 495.584 1.329 30 10 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C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(CCS(C)(=O)=O)C1CC1 1359296781 ULBGWPMFMOTOQZ-UHFFFAOYSA-N 454.556 1.809 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccs2)C1 1359322141 QGJIJMXTZOTLKH-WBVHZDCISA-N 453.590 1.502 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1359331372 WTDGQNSTHCBLJQ-SFHVURJKSA-N 496.659 1.705 30 10 JDEE C=CCS(=O)(=O)CCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1C(=O)N1CCCC1 1359335363 JJMNREBJVKINLL-CQSZACIVSA-N 455.491 1.635 30 10 JDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1)N1CCOCC1 1360583686 HRBOIESWMAPSIY-HXOBKFHXSA-N 453.547 1.151 30 10 JDEE CN(C)S(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@](C)(C#N)C1 1503407137 FTFJDLKWGYCZDN-GHTZIAJQSA-N 460.560 1.812 30 10 JDEE CN1CCCC(C)(C)[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1503679868 GRXJCFKQSAZQAZ-WWMYMODYSA-N 483.614 1.173 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccsc2)CC1 1507557015 NEJYYEOITQSCOP-INIZCTEOSA-N 464.617 1.716 30 10 JDEE C#CCN(c1nnc(COCC)n1CCc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1507637601 LGXATCUCHAVOOT-KRWDZBQOSA-N 450.536 1.832 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCCC1(F)F)[C@H]1CCS(=O)(=O)C1 1507641255 ZXIILIHSFKTJRS-IRXDYDNUSA-N 469.558 1.853 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCSCC2)CC1 1507721598 WPSBOBMHUUCBQA-UHFFFAOYSA-N 474.656 1.153 30 10 JDEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCNC(=O)C1 1507751575 KNIDDJUGGBVRLX-UHFFFAOYSA-N 451.556 1.368 30 10 JDEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507846356 JHFOTFFEBGEZCV-UHFFFAOYSA-N 482.585 1.397 30 10 JDEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1507853790 HRTPQPCWFQQHHV-KRWDZBQOSA-N 489.042 1.580 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(C(C)(C)C)s1)C1CC1 1507992529 FKLDSDYMCSQUAW-HNNXBMFYSA-N 481.648 1.963 30 10 JDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1508061510 XJXHFELTFHWXAV-LJQANCHMSA-N 473.603 1.579 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)Cc1cnccn1 1508088486 SFUFVWSUSLDVLJ-UHFFFAOYSA-N 473.541 1.965 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1508143200 FSRZQNFVWTXLQS-UHFFFAOYSA-N 486.623 1.889 30 10 JDEE C=CCSCCn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1508167122 GOUIKQHYEKOVJQ-LPHOPBHVSA-N 459.638 1.320 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1517625085 GHTQLEUDGRKQEG-WFASDCNBSA-N 458.466 1.522 30 10 JDEE COC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1)OC 1518719521 GYTJHAMQDOEIJU-HKUYNNGSSA-N 491.618 1.138 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)N1CCc2ccccc2C1 1539179899 TWOLJUMVFIFSAG-VXKWHMMOSA-N 486.642 1.517 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1539203625 SUEKZRYUBFIXJZ-JKSUJKDBSA-N 457.622 1.095 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCNC(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1539222233 UUDROTKQJGSZHV-RTWAWAEBSA-N 485.610 1.885 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1539231835 YNSOMVAVUPCEKF-SFHVURJKSA-N 480.612 1.145 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCS(=O)(=O)C1 1539391341 CIMHJOPRIXUKAZ-GOSISDBHSA-N 459.547 1.614 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 1539430809 OICUJTDXEWVLMS-LEWJYISDSA-N 466.586 1.810 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCc2ccccc2)CC1 1539482645 VYEDFNMTMLZWJF-NRFANRHFSA-N 485.610 1.363 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1539683130 BAWNDFFVTIFGCD-IAGOWNOFSA-N 452.625 1.939 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(COC)c1)C1CC1 1540108331 IMQRBGBGBMIVHW-FQEVSTJZSA-N 461.588 1.961 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1540868451 GEBORTUURYTLQW-UHFFFAOYSA-N 463.546 1.771 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1540876324 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493.536 1.791 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1507630217 UURUTZQGSKXHSM-HXUWFJFHSA-N 452.584 1.928 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1OCC(C)C)[C@@H]1CCS(=O)(=O)C1 1507631352 CUQSVWXOYRFZKO-UXHICEINSA-N 485.610 1.939 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)Oc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1507634574 ZEMJHPJPGNZKGA-OTWHNJEPSA-N 474.583 1.885 30 10 JDEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@H](OC)C(C)C)CC1 1507718587 FGJKGSAJKUXERK-IBGZPJMESA-N 473.647 1.973 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(=O)NCC2CC2)CC1 1507734656 SOPGKRYZQYBSOD-UHFFFAOYSA-N 480.569 1.454 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1507868287 HJNJETHVHDWATQ-LSDHHAIUSA-N 491.014 1.467 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCS1(=O)=O 1508008079 KJNOCUXYXBIZPD-MRXNPFEDSA-N 485.657 1.470 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)no1 1508034938 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C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1539014195 LKZMUJNARUROTA-IKGGRYGDSA-N 484.623 1.230 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2[nH]c(C)cc2c1 1539014256 LSSVRYOPUJQENG-OXQOHEQNSA-N 456.572 1.907 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539206415 OUSLCODKAUEYLL-DXIQSLLYSA-N 468.620 1.616 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(O)CCN(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1539216258 PXJJIKKNSJIHBA-FQEVSTJZSA-N 486.642 1.511 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539219215 BMFKVVMRCQPECF-SJLPKXTDSA-N 498.577 1.599 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)Cc1cccc(F)c1 1539232851 QYMNIGMCPXZLNS-UHFFFAOYSA-N 459.485 1.496 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(C(=O)NCC)CCC1 1539266356 OUGFDAJFDQCPSE-UHFFFAOYSA-N 460.586 1.831 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCS2)CC1 1539482584 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C#CCSCCn1c(N2CCN(C(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1690186194 MBWOXOMGWWPOOO-QFIPXVFZSA-N 462.620 1.634 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC2(CC1)OCCO2 1690313223 NYDMMBPNHHTUJX-QGZVFWFLSA-N 454.593 1.895 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1690500060 KFIGRSWDUKJXJM-MOPGFXCFSA-N 491.570 1.902 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(N2CCCCC2)c1 1690527154 KBSZYMLDHFZLME-LJQANCHMSA-N 475.619 1.667 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1690659647 ZBIYOXFBLSFZGZ-UHFFFAOYSA-N 476.541 1.106 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)NC2CCCCC2)C1 1690686303 LUNBXMJFYPHFSN-DOTOQJQBSA-N 454.597 1.119 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1690746828 KTSAOSAEOJKHKF-XMTFNYHQSA-N 471.649 1.391 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705559984 CTBQBWCNVJFJBS-MRXNPFEDSA-N 481.525 1.652 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(-n2cncn2)c1)[C@H]1CCS(=O)(=O)C1 1705569860 HRTWWFTYTFNNQQ-FQEVSTJZSA-N 453.572 1.732 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1705570130 MXMFUJNVUZVYJB-XPQZIERPSA-N 464.613 1.487 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1705570549 OLBPZHNCIFCETF-GHTZIAJQSA-N 464.588 1.503 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2COc3ccccc3O2)CC1 1705644433 QNSISKFGQWJLSI-SFHVURJKSA-N 466.542 1.222 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-n1ccnc1 1705843301 BSWBXMCRRBZMQU-IBGZPJMESA-N 457.560 1.467 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1708757244 CSXSTJSLRISQIP-WDSOQIARSA-N 487.584 1.271 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccc(F)cc1 1722296666 UAMKSUXKLDRCLV-APWZRJJASA-N 465.551 1.677 30 10 JDEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722312064 SVVWXBRNMHVYRZ-UHFFFAOYSA-N 482.585 1.939 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](c1cccc(OC)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722362084 RRRSNRYJFDVEIL-UNMCSNQZSA-N 497.625 1.617 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc(C)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1722367690 WSRRAUWVGBAWQI-GBXCKJPGSA-N 488.610 1.922 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(C)cc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1722368716 VGIFSVQXRFCISH-LEWJYISDSA-N 488.610 1.791 30 10 JDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC[C@H](N1CCOCC1)C(F)(F)F 1722401300 SHRONMZHTDTRED-SFHVURJKSA-N 466.508 1.517 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCS(=O)(=O)C1 1722503681 BYTGFYZGZVCFKO-QGZVFWFLSA-N 458.382 1.988 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1722699694 XJTILIHJVPDQEW-SQNIBIBYSA-N 478.594 1.750 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1722705853 IYQQIBGGPMAOGG-FQEVSTJZSA-N 467.530 1.479 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1722726515 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C#CCN(C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)[C@H]1CCS(=O)(=O)C1 729331340 MHYYNHAKBJZXJH-INIZCTEOSA-N 452.579 1.489 30 10 JDEE CCOCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnn3ccccc23)c1=O 729669916 WIPVNWVYTSEIQH-UHFFFAOYSA-N 451.552 1.156 30 10 JDEE CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N[C@H](C)C(=O)NCCN 953075845 YIQGURXEEICMRF-NQSCKRDGSA-N 499.612 1.005 30 10 JDEE CCn1cc(C=NNc2nc(SCC(=O)NCCc3ccc(OC)c(OC)c3)n[nH]2)cn1 1084147005 WCVRVAGFDNPTGT-UHFFFAOYSA-N 458.548 1.935 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCc2nnc(C)s2)c1 1286310705 XZMRKUIAPHXYBY-QGZVFWFLSA-N 464.555 1.688 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1286387730 HRNLAOZGCTZLNI-HNNXBMFYSA-N 450.952 1.099 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cc(OC)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1286398620 LXHZVIBRNPCALS-ZWKOTPCHSA-N 490.582 1.830 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1286409480 MKDKUDSQUYRBKA-XZOQPEGZSA-N 481.622 1.544 30 10 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455.584 1.872 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1300502371 SBFCNAHXGRMSLN-NHCUHLMSSA-N 461.632 1.896 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1300685913 UWCVEURTPGBWEW-UGKGYDQZSA-N 465.620 1.041 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(N)=O)C1 1300743379 OIIZIHKDTKOWKE-KRWDZBQOSA-N 476.628 1.264 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300778996 MVKUMCDDDAHQKX-IIBYNOLFSA-N 450.609 1.470 30 10 JDEE Cc1cc([C@](C)(O)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)c(C)o1 1304151569 HZQBMEJKHCBGRS-CFCCAZDESA-N 480.591 1.324 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc1 1321163748 VNNVXPUQDATQHT-JOCHJYFZSA-N 471.539 1.869 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2NC(=O)CC2(C)C)c1 1358901234 DRMXPERVPLMHKN-IBVKSMDESA-N 494.596 1.901 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1358958943 YUBYQSSJMUKFCB-HXOBKFHXSA-N 492.598 1.759 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCCC2=O)cc1 1358994175 GTLWQXNDYJLMJH-JOCHJYFZSA-N 479.606 1.814 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC2CCN(CCN(C)C)CC2)CC1 1359043740 GVGSPGZEMVLIKF-UHFFFAOYSA-N 466.634 1.513 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1359215725 IEJDDIUCFHOWPK-RTBURBONSA-N 490.634 1.472 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](OC)C(C)(C)C1 1359228015 RJCDLCAVTHAIIB-SJORKVTESA-N 457.597 1.065 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1359287454 FDGUCNQDPCUVFC-SFHVURJKSA-N 477.547 1.032 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359296374 HJIINKSQDZDTGX-GCJKJVERSA-N 481.601 1.245 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1359304381 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C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1508136561 SXYHZMHCRRCOHC-QFIPXVFZSA-N 491.570 1.594 30 10 JDEE CC(C)(C)c1csc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)n1 1508479951 FDLQLVPSEUAVBI-CABCVRRESA-N 464.617 1.906 30 10 JDEE CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H](C)CS(=O)(=O)CC 1538185959 ABJBYZDYNCEKNG-INIZCTEOSA-N 455.602 1.631 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1539202059 FQSFBFGOFDFNDC-AEFFLSMTSA-N 464.613 1.870 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1539222195 UIYAWAZXHYOCDQ-DLBZAZTESA-N 481.500 1.923 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539242613 YLPNMCZLFAMUDW-CQSZACIVSA-N 465.377 1.390 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CSc3ccccc32)CC1 1539431207 QMFGSRHORALWOZ-IAGOWNOFSA-N 460.629 1.533 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCCN2CCN(CC)CC2)CC1 1539481699 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C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1588034620 JFYCSAFZFQEJMB-GHDARCQNSA-N 466.604 1.108 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cc(F)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1588050320 RGQFTBNCJDWDQV-KRWDZBQOSA-N 456.503 1.558 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCOC[C@@H]2OC)CC1 1588947686 STKROWPJWRHHKD-GGAORHGYSA-N 481.597 1.895 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)C1 1589403804 DXZIZJBLAAQTER-NSHDSACASA-N 456.313 1.365 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1595156652 OOFHAGITWQTOEZ-INIZCTEOSA-N 452.602 1.976 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1595476132 IGPQFXRJOLPQFG-GDBMZVCRSA-N 459.938 1.588 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1595522278 BCVPFSGCBIOMDT-INIZCTEOSA-N 451.535 1.471 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1595760802 TXXZMERPXIKQFQ-KXBFYZLASA-N 477.653 1.131 30 10 JDEE C=CCCC[C@H](NC(=O)c1ccc(I)cc1-n1cnnn1)C(=O)OC 1596244719 PNQNACPGSWNGDV-ZDUSSCGKSA-N 455.256 1.895 30 10 JDEE Cc1nccn1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H](C)C#N 1612448311 IDAPKAVYSPAPFX-INIZCTEOSA-N 456.576 1.996 30 10 JDEE C=CCN(C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(CC)CC1 1665101756 GZIFWVCNGMWNIJ-UHFFFAOYSA-N 451.593 1.499 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2(C(N)=O)CCCC2)c1 1689868423 GMDVTIGBFHHEJE-UHFFFAOYSA-N 477.569 1.616 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1689916870 ZTCLTZYQZYMEFH-IBGZPJMESA-N 485.614 1.649 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1690043517 DLXGKZAAQRBURX-GOSISDBHSA-N 478.578 1.573 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2sccc2Br)CC1 1690124489 MEEUORUXBIIRBA-AWEZNQCLSA-N 484.445 1.808 30 10 JDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1690174743 JDKLZDAFYLDLIL-IBGZPJMESA-N 474.631 1.089 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1690175571 ZTMYMTYNQJMEAL-MRXNPFEDSA-N 469.633 1.604 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 1690219514 GQFXJYWCPSKKTL-VHSXEESVSA-N 462.292 1.564 30 10 JDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690309583 DRJPVDCDDFCYKK-CRAIPNDOSA-N 468.514 1.547 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1690669587 JFIYFSFNHOLWNH-KBPBESRZSA-N 466.468 1.588 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1690719233 IPYQPABNOLFQGJ-OALUTQOASA-N 459.572 1.802 30 10 JDEE CCN(C)C(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1695503664 FWGGVKPDQWTOST-GOSISDBHSA-N 455.567 1.238 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1705480796 YETQNMKUPMIUQS-BXKMTCNYSA-N 468.558 1.040 30 10 JDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cncc3ncnn23)CC1 1705508905 YLFORNHAUJFGTK-UHFFFAOYSA-N 464.578 1.764 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(F)cccc2OC)CC1 1705524628 PYVQZALKPMFWFU-MRXNPFEDSA-N 464.567 1.776 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1705562725 IKNCBWAIILOMHM-MSOLQXFVSA-N 450.948 1.641 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC1(S(C)(=O)=O)CCC1 1705600462 ZMZCAXOTOLJPSC-UHFFFAOYSA-N 450.568 1.947 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCO[C@H](C)C2)CC1 1705632454 QSBFWUCJEYXPEC-HXUWFJFHSA-N 466.590 1.182 30 10 JDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCN2CCCO)CC1 1705639969 ACPKUOKNTDZDQX-IBGZPJMESA-N 458.557 1.749 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1705642317 PDDKNAKRKFYGJF-FGZHOGPDSA-N 477.613 1.983 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705899248 MGHZEEYECITQBR-MRXNPFEDSA-N 457.922 1.373 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1705900796 POTRLGIJQBJSOD-HNNXBMFYSA-N 452.485 1.748 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1705902532 GPBRKIWEFWCVAN-IRXDYDNUSA-N 478.644 1.940 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705907918 BSSAJIQDCIJNDP-MRXNPFEDSA-N 471.587 1.437 30 10 JDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1711409809 CCCTUCXHLAFINL-OAQYLSRUSA-N 466.590 1.635 30 10 JDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1712686818 HMOWSYKGLNPQBF-LIRRHRJNSA-N 467.548 1.225 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1722358272 FPWJXVAQSHGXMI-HNNXBMFYSA-N 464.498 1.597 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722359948 XTHIDJPHVKLKIK-SFHVURJKSA-N 451.593 1.250 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCN(C)C1 1722381283 MUPHWRATUGNXFI-NTKDMRAZSA-N 456.591 1.532 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1F 1722395680 AGMBRSONHZSIQI-LJQANCHMSA-N 463.510 1.400 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccs2)n1 1722429361 KPRDUOXNVFEUSG-KRWDZBQOSA-N 474.612 1.773 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2csc(COC)n2)CC1 1722445230 MWJBATQXYUGYCP-UHFFFAOYSA-N 453.572 1.901 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1722523132 CHSTWPRCYOPWKV-DENIHFKCSA-N 461.588 1.593 30 10 JDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncc(F)cn2)CC1 1722537890 HEFAGMDSCKLTIH-HKUYNNGSSA-N 461.542 1.851 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1722705748 HGYNFYVNSKPOEC-QGZVFWFLSA-N 451.531 1.895 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(C)=O)C1 1722707360 MXWYOGAFYYUWGU-WOJBJXKFSA-N 473.599 1.898 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(F)cn2)CC1 1722729349 ZCHHDLRPHNJUPX-QGZVFWFLSA-N 464.567 1.634 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C)CC1 1723658220 DMNQXPCQPLWTBG-IBGZPJMESA-N 468.606 1.325 30 10 JDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C1 1730997834 HOULGEUNUSXMRZ-SFHVURJKSA-N 463.585 1.265 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)N(C)C 1740554952 YGYYXKVLVWJFKW-IRXDYDNUSA-N 468.624 1.742 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1740617805 XRIGJAYBJRKRDS-DSKINZAPSA-N 492.573 1.989 30 10 JDEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCN(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1740622016 SBGVRRQWNSNVPZ-LJQANCHMSA-N 484.626 1.642 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(NC(C)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1740622074 TUJIFJMLKRHSFP-QGZVFWFLSA-N 453.528 1.302 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1740683755 DFZJBPVATCKPLW-UHFFFAOYSA-N 465.558 1.533 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC2CCN(CCN(C)C)CC2)CC1 1740705833 MZGAQKWDNWLZET-UHFFFAOYSA-N 455.651 1.785 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC[S@](=O)CC)CC1 1740706164 RZYSUOUCHIFCCW-PGUFJCEWSA-N 498.657 1.187 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCCOC(C)C)CC1 1740706532 VSOVZUWGKYODGF-UHFFFAOYSA-N 456.547 1.787 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740749702 CSFDNZASVLEJEI-FKVLARQCSA-N 487.649 1.386 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2csc(COC)n2)CC1 1740825320 LXABVZMLMCFCJP-INIZCTEOSA-N 468.605 1.419 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1740876296 QFFBWBJTSWNEMG-SFHVURJKSA-N 475.619 1.526 30 10 JDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1740897928 ZLBGAXMTFBKZLC-UHFFFAOYSA-N 451.531 1.579 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1740960516 UEUNTBJGCWYLPY-FQEVSTJZSA-N 482.585 1.374 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@@](O)(c3ccc(F)cc3)C2)nnc1[C@@]1(OCC)CCOC1 1740965086 LMYFJGJUNUJZTP-XZOQPEGZSA-N 459.522 1.469 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1740991559 YZMJERDPZVLBKS-WIYYLYMNSA-N 453.609 1.422 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCN1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 1748818780 GIMUWTRYBBQGCB-NRFANRHFSA-N 489.617 1.482 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1748819039 IWFCNJKCKBGIIO-REWPJTCUSA-N 458.584 1.610 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1748824725 SDYBXYIIGQETPH-FHWLQOOXSA-N 494.662 1.927 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NC(C)C 1748960270 FWRGWIMAPPNGRN-UHFFFAOYSA-N 465.558 1.847 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1748995121 YAARLUKBEGCQHY-QGZVFWFLSA-N 453.513 1.040 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC(=O)N(C)C)CC1 1749003203 AXWLQXDVDHKZGV-UHFFFAOYSA-N 476.379 1.480 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ncc(CC)s1 1749037312 ACWLUMGPSRQUDJ-MRXNPFEDSA-N 484.673 1.633 30 10 JDEE C#CCSCCn1c(N2CCC[C@@H](S(=O)(=O)N(C)CCOC)C2)nnc1C(C)(C)C 1749049172 YSXDUSCCSLDXNV-QGZVFWFLSA-N 457.666 1.819 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749127533 NBIWXNCPHVBHEB-QFBILLFUSA-N 463.608 1.520 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1cnn(C)c1 1749129947 IRZAWCRRMSXROU-UFYCRDLUSA-N 493.634 1.352 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1(C)C 1749130379 LBJBVPXMJNNTQB-BZSNNMDCSA-N 453.609 1.971 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1749705052 FUERVEWDKYUHBU-MRXNPFEDSA-N 475.600 1.865 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCc2ccn(C)n2)c1 1760126556 BTGGXTAVIRFSKY-UHFFFAOYSA-N 483.536 1.958 30 10 JDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1760129807 ZOYFZKYEBRRAEO-HXUWFJFHSA-N 457.623 1.743 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1760145490 PWGTWZDIXGDDFE-HZPDHXFCSA-N 454.597 1.653 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1760186414 CLXOVROGJSIQTK-YADHBBJMSA-N 471.627 1.931 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(NC(C)=O)nc1)[C@H]1CCS(=O)(=O)C1 1760188770 CWWYEXVLPGCMIH-FQEVSTJZSA-N 479.566 1.292 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1760265095 NROWIWNGGQEJIW-BCHFMIIMSA-N 494.596 1.653 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(C)nc2)CC1 1760265141 PARXYJBARQYIJB-UHFFFAOYSA-N 451.575 1.914 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1760373852 CUYHYFJJXDSPCK-KRWDZBQOSA-N 485.054 1.504 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)C(C)C 1760490398 WNSTZUKCYASFBZ-OAQYLSRUSA-N 487.649 1.047 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1760514889 IFNUNVBQUXFSFW-AWEZNQCLSA-N 477.367 1.378 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(F)(F)C1 1760553210 OGWWUHNIVBHSFB-UHFFFAOYSA-N 450.475 1.367 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C(C)C)C1 1760555146 YHJOBUTXRGLCMW-HZPDHXFCSA-N 462.663 1.359 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC(CC(N)=O)CC1 1760556725 OFEVTIYTWNQITH-UHFFFAOYSA-N 452.606 1.326 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C(C)C)C1 1760557518 NXPDTNJNHIGUBM-MRXNPFEDSA-N 467.617 1.732 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)CC1 1761262755 ADSXHROKLYYFHL-UHFFFAOYSA-N 499.641 1.288 30 10 JDEE C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1761413587 FPGLYTWHWVDMJX-QRQLOZEOSA-N 460.560 1.143 30 10 JDEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1770361338 HWDPYOYRDNCSNI-QZTJIDSGSA-N 460.560 1.141 30 10 JDEE N#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)N3CCC[C@@H]3C(=O)O)cc2)c1 1858651599 ZUCSTJSVRHLGSP-GOSISDBHSA-N 456.480 1.436 30 10 JDEE C=CCOc1ccccc1OCC(=O)Nc1nc(N2CCOCC2)nn1[C@H]1CCS(=O)(=O)C1 1869952630 JFJFDLUCRLXBAS-INIZCTEOSA-N 477.543 1.057 30 10 JDEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(N3CCN(c4ccccc4F)CC3)ncnc21 1873562514 HKKFSMOHOJNRFM-UHFFFAOYSA-N 493.587 1.833 30 10 JDEE CC(C)N(CC#CCNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1Cc1ccccc1)C(C)C 1890728949 WNTQVPOWQFLRRH-UHFFFAOYSA-N 463.582 1.939 30 10 JDEE CC(C)(C)OC(=O)NC1CCN(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2180967418 IXBZPQXKJRTFBC-UHFFFAOYSA-N 461.372 1.703 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2180985437 PKXKFCDIBXRJPX-CBZIJGRNSA-N 484.424 1.961 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2255533014 QQONQBYEHIFTIC-OCCSQVGLSA-N 453.370 1.400 30 10 JDEE CC1(C)OB(c2cc(C(=O)N[C@H]3CCOC[C@@H]3NC(=O)OCc3ccccc3)[nH]n2)OC1(C)C 2255632646 PLDHDYOYLDILCD-WMZOPIPTSA-N 470.335 1.523 30 10 JDEE C[C@H](CCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2255751287 YEXVUSZMEVPWFW-CYBMUJFWSA-N 458.390 1.301 30 10 JDEE C[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C1CN(C(=O)OC(C)(C)C)C1 2267366721 JUQGWBOEQGUJKP-ZDUSSCGKSA-N 470.401 1.253 30 10 JDEE CC(C)(C)OC(=O)NCC1(O)CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2267473649 ITLDUEYCUVUDMA-UHFFFAOYSA-N 488.437 1.449 30 10 JDEE CCON(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267711896 RTKFZNWDTMOKDV-UHFFFAOYSA-N 474.389 1.186 30 10 JDEE COC(=O)[C@@H](CCNC(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2281959460 NBZYOKWHAMEKCW-CYBMUJFWSA-N 483.396 1.937 30 10 JDEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282536617 FRDCVQHXCICHMX-HNNXBMFYSA-N 463.388 1.000 30 10 JDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(C(N)=O)CN(C(=O)OC(C)(C)C)C1 2282590719 FWSNGZFVNOWPBA-UHFFFAOYSA-N 480.396 1.203 30 10 JDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C)C[C@H]1CNC(=O)C(F)(F)F 2282591345 OUIOUHMANGJIPT-GFCCVEGCSA-N 476.330 1.185 30 10 JDEE Cn1nc(C(=O)NC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282619203 QRVDHWLBSFLJOO-CQSZACIVSA-N 464.372 1.821 30 10 JDEE Cn1nc(C(=O)N=[S@@]2(=O)CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282619882 XKSHYLSKIAZFOX-LHRCYKKBSA-N 482.412 1.872 30 10 JDEE COC(=O)[C@H](CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)NC(=O)OC(C)(C)C 2282681024 UIHIAIAHRLGCND-HNNXBMFYSA-N 465.356 1.511 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CC[C@H]21 2282857263 FVGOPRVTRPSKSX-LSDHHAIUSA-N 482.412 1.492 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C 2282861497 OTCKQYXDORFWKQ-OAHLLOKOSA-N 484.428 1.787 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2284058560 NTLOEXGBDYFKRS-YESZJQIVSA-N 466.315 1.405 30 10 JDEE Cc1c(C(=O)N[C@H](C(=O)O)[C@@H](C)OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2284429483 GEMVGRARJSPJLC-QAPCUYQASA-N 457.336 1.816 30 10 JDEE COC(=O)[C@@H](CNC(=O)OC(C)(C)C)Oc1ccc(B2OC(C)(C)C(C)(C)O2)c(OC)n1 2339825088 PKOXJAFREXLVTJ-CQSZACIVSA-N 452.313 1.835 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1CNc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2345744482 BQBOUIXIKDXQQX-VYDXJSESSA-N 453.320 1.273 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)C[C@@H]2C)n1C 2362341547 TXKKOFNTYDGSLT-WCQYABFASA-N 458.290 1.699 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO 2362358203 WYNGCCLDBHKUMF-HUUCEWRRSA-N 464.372 1.067 30 10 JDEE C=CCNC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC(=O)N3CCC[C@H]3CO)[C@H](O)CC[C@H]2[C@]1(C)CO 4236587 IZXBXUGCVVZDDQ-DNMTXPOLSA-N 452.592 1.826 30 10 JDEE biogenic COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccncc2)c1C 103224951 QTXUPGAUWICEAY-DQVIVYRFSA-N 482.537 1.957 30 10 JDEE N#Cc1cnn(CCS(=O)(=O)Cc2cc(N3CCOCC3)nc(-c3ccc4[nH]ccc4c3)n2)c1N 115714227 DYZCOJKBIXNJOH-UHFFFAOYSA-N 492.565 1.727 30 10 JDEE CC(=O)OCC(=O)[C@@]12N=C(C)O[C@H]1C[C@H]1[C@@H]3C[C@H](O)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C 205525634 UFQYEKPVHOQAHA-KSDOWJLHSA-N 457.523 1.534 30 10 JDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccc(OC)cc1 729671008 ATQFJLBEEWTUMF-UHFFFAOYSA-N 473.558 1.644 30 10 JDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c1 745339120 LJJXRUCKTXRHPX-UHFFFAOYSA-N 466.538 1.457 30 10 JDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(Cc3ccccc3)CC2)c1 918274301 GOGJCFQQKZFEDC-ROMGYVFFSA-N 483.594 1.782 30 10 JDEE Cc1ccc(S(=O)(=O)O[C@H]2CO[C@H]3[C@H](OS(=O)(=O)c4ccc(C)cc4)CO[C@@H]23)cc1 1076146643 LFXDGKWHPSDRCT-YRPNKDGESA-N 454.522 1.949 30 10 JDEE CCOc1ccccc1NC(=O)CSc1nnc(NN=Cc2c(C)nn(CCO)c2C)n1N 1084584564 DFWJOUQOGWYDGD-UHFFFAOYSA-N 473.563 1.373 30 10 JDEE C#CCn1ccc(CN(CC)C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)n1 1128673131 SLIQFDQANCZJMP-GOSISDBHSA-N 456.524 1.502 30 10 JDEE C=C(C)[C@@H](CC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1)OCC 1141815658 SNBFIMGTFFREOD-GOSISDBHSA-N 458.602 1.603 30 10 JDEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NC[C@H](O)C(N)=O)ccc1Cl 1156613814 XCAAVLOJMARFRQ-INIZCTEOSA-N 455.895 1.436 30 10 JDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1286355932 FYEHJVNSZVUOFC-QHCPKHFHSA-N 468.650 1.784 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(COC)c1)[C@@H]1CCS(=O)(=O)C1 1286380460 IOQVJMUEXXJNAC-HXUWFJFHSA-N 494.577 1.747 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1286387201 OUAJVZUDSYZEND-KRWDZBQOSA-N 473.990 1.987 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1286394511 OWZNLGLNHNVTRN-GOSISDBHSA-N 459.963 1.441 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286398651 MFUMXNVFDWAMAC-LWYYNNOASA-N 465.620 1.256 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCN(C)CCOC)CC1 1286481191 SPZQGJKLBISSET-UHFFFAOYSA-N 489.665 1.726 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CCOCC)CCC2)CC1 1286493305 NICMBJIDTGPTOO-FQEVSTJZSA-N 491.658 1.743 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)C1 1286545709 ALADYWJJPFZCKO-VQIMIIECSA-N 458.950 1.779 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1scnc1C 1286552702 AFOFKJUWEFPEGP-LNLFQRSKSA-N 496.659 1.994 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CCC[C@H]21 1286607459 HCASVFWHFDWCSS-OTWHNJEPSA-N 453.609 1.973 30 10 JDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1286714796 WTRGCUWDGNACFB-SJORKVTESA-N 458.588 1.825 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1286790968 LQUMRQWKFCDEFT-GOSISDBHSA-N 473.572 1.666 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1286791100 UKFHRKPOYADZFP-XMMPIXPASA-N 466.565 1.387 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C2CC2)CC1 1286832264 JDKVBHQSMDLKCS-KRWDZBQOSA-N 453.634 1.548 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1300332521 IWPXTKHPUUTRFJ-GOSISDBHSA-N 496.597 1.016 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300479595 QAKDZRQQWLFJNT-LJQANCHMSA-N 499.641 1.674 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300482410 FODACNBTSISHSX-FUHWJXTLSA-N 491.614 1.548 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCN(CC)S(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1300496866 VOWSNZRBKQLSDH-QGZVFWFLSA-N 473.665 1.165 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCCS1(=O)=O 1300654609 AQGJKGRDZPDRIA-UHFFFAOYSA-N 467.979 1.729 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1301087205 XIHDJXQIBURQQU-WOJBJXKFSA-N 482.651 1.124 30 10 JDEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1301141909 SBOLOGLAUQLCGS-MRXNPFEDSA-N 468.558 1.712 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@@H](C)C1 1301403587 LYBQBMPUOKSVDH-MOPGFXCFSA-N 452.625 1.521 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1301519230 NSBYOUZVTVRHKO-INIZCTEOSA-N 464.979 1.477 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1301576694 YHGHWSVUQHAADK-FQEVSTJZSA-N 469.514 1.849 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nccs2)C1 1301594697 IMXFIWJUFGSWAA-UONOGXRCSA-N 458.635 1.842 30 10 JDEE CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cccc(COc2ccccc2C#N)c1 1351619744 FHMZPLDATHNPTP-FQEVSTJZSA-N 455.536 1.903 30 10 JDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)c1cc[nH]n1 1358947507 DFOWLVKJJYSCFR-INIZCTEOSA-N 456.551 1.615 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1358957857 BMRZMIVCRXLZDZ-HXUWFJFHSA-N 485.610 1.983 30 10 JDEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1358964429 YZHPGJQPRXAOFA-RTBURBONSA-N 491.593 1.063 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1359028652 ZJOSFZFCPPFVRP-UHFFFAOYSA-N 467.540 1.544 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359090458 BLNSJSKSEXBIHL-XLSPSMHOSA-N 470.530 1.267 30 10 JDEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1359136114 ZTCINWCLFPBHFR-IBGZPJMESA-N 453.609 1.454 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359203142 JHPGEAALFIOZSU-IBGZPJMESA-N 487.586 1.502 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(COC)n1)C1CC1 1359251513 NFBOEMWTHSDYCH-MRXNPFEDSA-N 468.605 1.417 30 10 JDEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCN(C(C)=O)CC1 1359272262 NYBXZHZFBDZRCJ-UHFFFAOYSA-N 479.633 1.795 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CS(C)(=O)=O)c1 1359272675 YUCQLKJJJGIAHI-LJQANCHMSA-N 464.613 1.952 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359291874 DBPONYOJCOEHBR-NVXWUHKLSA-N 465.551 1.873 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1359303817 BTGUENJLNSWWPG-GOSISDBHSA-N 453.547 1.508 30 10 JDEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCCS1(=O)=O 1504434300 CASPUTWKTPXNMU-HXUWFJFHSA-N 464.523 1.343 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1507578289 WEMZCLGBLNUUCP-UHFFFAOYSA-N 472.615 1.913 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1507630440 YVRYTRFIIZPKRR-KRWDZBQOSA-N 470.555 1.905 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1507631127 BKCBKZVEBAGYCL-UXHICEINSA-N 499.703 1.316 30 10 JDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1507631967 WBQHNVPUKIWTKW-MQFAKOPTSA-N 486.623 1.526 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1507689908 NTJRWEPZAGFZCV-NTLWEQJWSA-N 451.593 1.012 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1507689911 NTJRWEPZAGFZCV-RYLXDESZSA-N 451.593 1.012 30 10 JDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1507699879 KHAVWONLDUTNRR-WFXMLNOXSA-N 454.579 1.962 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCN(C)C(C)C)CC1 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C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1595812398 RVILTAWKCSBMMF-UHFFFAOYSA-N 465.539 1.400 30 10 JDEE C=CCN1CCN(C(=O)[C@@H]2C[C@H](O)CN2C2CCN(C(=O)c3cccc(OC)c3)CC2)CC1 1614605265 YXVWOPYIBRKYLB-GMAHTHKFSA-N 456.587 1.065 30 10 JDEE N#Cc1ccccc1-c1ccc(CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 1615971603 DYTKTSLDSVUTPY-JOCHJYFZSA-N 452.580 1.646 30 10 JDEE CCN(CC)C(=O)CN1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1634913223 CWURJTDMROBQGN-OAQYLSRUSA-N 454.575 1.245 30 10 JDEE C#CC[C@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)O)C(=O)OC 1642415659 WHPRAVNHCYVKMO-YDFBLROQSA-N 450.491 1.956 30 10 JDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCCc3ccc(S(N)(=O)=O)cc32)CC1 1653677086 DYCDDNNEHJLDAH-LJQANCHMSA-N 459.597 1.557 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1689982818 VIQULWATFWCSQH-NZQKXSOJSA-N 476.574 1.939 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1690124227 HPYZYVDEXOZAFL-FQEVSTJZSA-N 452.559 1.053 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1690131913 ADOVZUPUXLPAQW-FQEVSTJZSA-N 494.566 1.548 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1690140319 UQXAUVYIUSKPCM-SFHVURJKSA-N 482.560 1.545 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1690174310 BKPVCUSCONQSML-GOSISDBHSA-N 471.612 1.140 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1690254848 JQDKXUYHIGFTPN-OALUTQOASA-N 458.607 1.828 30 10 JDEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCN(C)C1 1690586704 SPLXXHKLGJWLCL-JOCHJYFZSA-N 460.604 1.440 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H](OC)C1 1690668604 BHONLIFTGIKURB-VQIMIIECSA-N 465.558 1.838 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1690675889 IRPRSJORSXPAOK-UHFFFAOYSA-N 456.522 1.747 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1690699610 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C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1705560163 DXAPFTQPXDLKCW-AWEZNQCLSA-N 456.366 1.699 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1705560751 KCCZNVRQJWEYKZ-XLIONFOSSA-N 482.994 1.107 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1C[C@H](C)N1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1705564089 AAAQFHICDYDOBL-FPOVZHCZSA-N 462.664 1.588 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccn(Cc2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 1705568134 IDYZKVPRMNVIIA-OAQYLSRUSA-N 468.583 1.734 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)CN1CCN(CC)CC1 1705577238 YFLYPOUXOWYVPO-NRFANRHFSA-N 482.654 1.695 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1705634342 SBMJJIZBKVMEKC-FDDCHVKYSA-N 457.600 1.655 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)Nc1ccccc1 1705674166 BDEDTGORFVQPQM-AUSIDOKSSA-N 486.598 1.632 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705679382 LNWHOZWVKHYCQE-ZDUSSCGKSA-N 468.356 1.092 30 10 JDEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1705684868 FUVITQSJNNPFBN-ZDUSSCGKSA-N 456.304 1.829 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCC1 1705700637 WOIAMUWIDSZFCD-QYZOEREBSA-N 453.609 1.829 30 10 JDEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)N1CCSCC1 1705719744 JJVZFUKTWMUJQO-UHFFFAOYSA-N 467.665 1.921 30 10 JDEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1705820689 WGRVVQOIUPUGLS-UHFFFAOYSA-N 486.527 1.580 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CC(C)C)c1C 1705844092 VSSYFEFYWDDJKO-SFHVURJKSA-N 451.597 1.442 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCc2ccccc21 1706888786 AHTQIVIDCKZIRT-WMZOPIPTSA-N 459.576 1.070 30 10 JDEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)cn1 1707504362 CLPSHYVKMIPRGR-UHFFFAOYSA-N 481.582 1.999 30 10 JDEE C#CCCCn1c(N2CCN(C(=O)COC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722340797 IOQJOURGTGMVIZ-HDICACEKSA-N 460.579 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C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1740987276 RLGKZQRMWFPLJH-MAUKXSAKSA-N 481.550 1.109 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2ccnn2C)C1 1748717636 FCXJEHDUOCCJJC-AZUAARDMSA-N 475.619 1.532 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1748802718 RQDMEBUNJRBQLC-OAHLLOKOSA-N 451.499 1.370 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1748820611 FQEHVYFDDURNIF-IAGOWNOFSA-N 475.596 1.589 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccccc1S(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1748821048 LQEHRYXHUYYDIP-IBGZPJMESA-N 491.639 1.156 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCCS1(=O)=O 1748944120 LVFLRPCOULWEAO-QHCPKHFHSA-N 491.589 1.745 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCSC2)CC1 1748979895 RRXYGHAZDIESHW-GOSISDBHSA-N 474.656 1.704 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(OC)cc2)CC1 1749004651 LNZZECYRNOREQY-QGZVFWFLSA-N 488.614 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461.588 1.840 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1749651091 NJMHPZVYJIRTJI-GOEBONIOSA-N 450.540 1.324 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749657610 CFJKMNUFABJKMT-ZDUSSCGKSA-N 486.367 1.772 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2c(F)cccc2OC)CC1 1749677684 HXUYQEHJMQJOJW-UHFFFAOYSA-N 471.537 1.177 30 10 JDEE C=CCNC(=O)Cn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749682017 NCTSJLPKCYBJFS-DYESRHJHSA-N 469.608 1.024 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1760189030 FUROGKBVGFBTSM-IBGZPJMESA-N 452.540 1.343 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1Cc2ccccc2C1 1760206051 PSEREKQJYABTRK-QFIPXVFZSA-N 467.595 1.489 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1760270048 SICGUHFOKICNGS-JOCHJYFZSA-N 478.597 1.936 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[C@@H](O)C2)CC1 1760270970 GXKGYADHOAVSET-PZJWPPBQSA-N 453.591 1.657 30 10 JDEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cnccn1)c1ccccc1 1760363160 GOUZCXYURSHQIW-OAQYLSRUSA-N 483.598 1.793 30 10 JDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1760422232 JSGWGQCDCCVMFW-OXJNMPFZSA-N 451.597 1.730 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1760450613 OLJWYGHRKCYBET-MOPGFXCFSA-N 475.619 1.668 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCCN(c2nc(C)ns2)CC1 1760525919 WOPAMWIAJYUGDW-UHFFFAOYSA-N 453.576 1.443 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1760555927 QSEBLUUYZFCVCV-IRXDYDNUSA-N 466.633 1.723 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncccc2N(C)C)CCO1 1760667654 CAFPSWKAEJCILH-HXUWFJFHSA-N 460.542 1.667 30 10 JDEE CCN1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CS(C)(=O)=O)CC1 1765552550 IDSYDUPTQPVNHJ-VQTJNVASSA-N 487.674 1.960 30 10 JDEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)CN2CCOCC2)C1 1767625532 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C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(C)c2)CC1 1595760760 SDRIUUMXVWOKHX-GOSISDBHSA-N 496.659 1.124 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cnccn2)CC1 1595772441 AJUXAQHRWDOAFG-UHFFFAOYSA-N 474.978 1.711 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1595812055 LRCITCGBBWIAII-SFHVURJKSA-N 491.639 1.964 30 10 JDEE COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(NC3CCN(CC(N)=O)CC3)C[C@@H]1C)C2=O 1615246916 LQSJGUZKMVLUJF-MYODQAERSA-N 477.945 1.703 30 10 JDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCc1cccc(C(=O)NC)c1 1616922526 CRBKZENPZUBZGI-GOSISDBHSA-N 489.584 1.794 30 10 JDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCCC1 1617792988 HKYAUBDHGBQRCV-UHFFFAOYSA-N 486.598 1.469 30 10 JDEE C=CCOC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)C(=O)OC 1617951792 YPCFQEKVWXUHLZ-FQEVSTJZSA-N 450.557 1.436 30 10 JDEE C=CCN(C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1623105156 TXBVFAWZXDGPNC-MRXNPFEDSA-N 457.574 1.687 30 10 JDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1689887180 RPGARSVVOIOQKO-GOSISDBHSA-N 469.590 1.846 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCC1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1689982838 VQTVULIYGDRDFZ-ZJSXRUAMSA-N 493.674 1.679 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCOC[C@@H]1OC 1690003848 ZPIMOKZQFJXHRL-MOPGFXCFSA-N 470.599 1.671 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1690122518 UHTNWBJUQRYJRJ-UHFFFAOYSA-N 464.595 1.997 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Cc2ccc(OC)cc2)CC1 1690124221 HNMPQKRVPTXELU-FPOVZHCZSA-N 471.627 1.823 30 10 JDEE C#CCSCCn1c(N2CCO[C@H](c3cnn(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690186033 KVUJEIYUSJJFHA-UGKGYDQZSA-N 460.604 1.997 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1690723382 PVNHAMURBVQMDE-HZPDHXFCSA-N 464.592 1.526 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(N2CCOCC2)nc1 1692527715 FMZFDWDFCUQYRR-QHCPKHFHSA-N 452.563 1.826 30 10 JDEE CCOC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1696383666 CIFGKAFXRCGPAD-IBGZPJMESA-N 489.598 1.531 30 10 JDEE COC[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1697737311 HAIZKRXCNFMKJW-QGZVFWFLSA-N 460.542 1.920 30 10 JDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1705541617 NVSZCMJQPUHSSU-CVEARBPZSA-N 454.597 1.605 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CCn1cc([C@H]2CCOC2)cn1)[C@@H]1CCS(=O)(=O)C1 1705561109 QBUFKFDZCWJKSR-PKOBYXMFSA-N 460.604 1.603 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CC(=O)Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1705564189 MJWFOGWTNVWPOK-LJQANCHMSA-N 468.514 1.745 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1705565753 VXAQRQSYQFEFRB-UWJYYQICSA-N 459.597 1.880 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1705568641 SJXWAROVHMNPJX-IBGZPJMESA-N 471.583 1.279 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)CN(C)C1=O 1705590954 ASDSNXXOCKWYGO-HSZRJFAPSA-N 468.583 1.137 30 10 JDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1705600769 LPAXRPAIVQFYBY-IBGZPJMESA-N 450.518 1.347 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@H]1C(C)C 1705612723 NFNQGVRHNLKECK-QYZOEREBSA-N 453.609 1.522 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](F)COC)CC1 1705646698 NROUELVZWLLRFX-SFHVURJKSA-N 459.522 1.913 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705705661 JZLJFAXAWMLJOX-UNMCSNQZSA-N 498.632 1.294 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1705903235 ROYVWQRREQNBDZ-LJQANCHMSA-N 470.549 1.756 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705905074 IRLDTNBERHNYOM-LJQANCHMSA-N 488.614 1.184 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCCCC2)C1 1705925885 VQNDORRIMRZTHI-MSOLQXFVSA-N 451.593 1.364 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1705937980 KDZGDLXGMBMQRB-INIZCTEOSA-N 465.551 1.559 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1705939439 XICFRWWZPBHXCA-ROUUACIJSA-N 498.650 1.233 30 10 JDEE CC1(C)COCCN1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1706934649 DDEOWUVIRSNPIC-DYESRHJHSA-N 450.609 1.421 30 10 JDEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)C(C)C 1711549994 BYVNVHJAKOHKOB-JOCHJYFZSA-N 481.601 1.469 30 10 JDEE CS(=O)(=O)N1CC[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCO[C@H](C#N)C2)C1 1712703460 CDTZQFKBNVGREB-RHSMWYFYSA-N 450.952 1.609 30 10 JDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1722306085 GTLQCCNJRXWYDM-IBGZPJMESA-N 457.623 1.789 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 1722358039 CVDYAKIAZQAQJB-SFHVURJKSA-N 464.636 1.308 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1722692805 XIJCLFWLZUNOGK-INIZCTEOSA-N 469.594 1.420 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ccc(C)cc3)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722704921 ZTUZTCIMZZFGAW-RUZDIDTESA-N 482.585 1.783 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1722725563 NPBOIMFVLASDID-IBGZPJMESA-N 460.535 1.996 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1722728771 XYPFUUNHRJBYOO-CRAIPNDOSA-N 495.627 1.431 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cnccn1 1722728995 CTLUTQPSYCVGHI-UHFFFAOYSA-N 452.544 1.544 30 10 JDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1722738382 IGQGQYAMYYDSMW-RTWAWAEBSA-N 464.680 1.932 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1722748901 CTFXHVUPXPRMSN-RBUKOAKNSA-N 459.572 1.802 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(CC)CC)cc1 1740550230 ICZMBIRZXZUNGW-NQIIRXRSSA-N 474.631 1.963 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2nc(C)no2)c1 1740564205 FBJNQOCSZYKGDS-GOSISDBHSA-N 497.581 1.561 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1740574403 KTEDZUFEZSQLKB-HXUWFJFHSA-N 492.646 1.253 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccco1)N1CCCC1 1740609833 PBHVVIYUEDNROQ-HKUYNNGSSA-N 462.576 1.111 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1Cc1ccccc1S(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1740623207 PXCYVJRIOOXIMK-IBGZPJMESA-N 491.639 1.471 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCSC1 1740686714 WYFUUNDPQCVAIH-HTAPYJJXSA-N 481.619 1.541 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@@]2(O)CCO[C@@H]2C)n1 1740689149 PXGXSCDQRQJAHQ-JPYJTQIMSA-N 453.547 1.306 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)Cc2cccs2)CC1 1740691297 YONLTMHPRPKGQP-IRXDYDNUSA-N 450.634 1.584 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCN2CCCS2(=O)=O)CC1 1740693052 SJXMCZRPMNXCHO-UHFFFAOYSA-N 493.431 1.498 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1740696164 NKLOHIYUTRPUMS-ROUUACIJSA-N 456.513 1.190 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCN(C)C(C)(C)C2)CC1 1740705788 MUMHQDGWOLAXCU-OAQYLSRUSA-N 471.650 1.164 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCS(=O)(=O)CC1 1740763760 POZDWHSHGHJUIF-CRAIPNDOSA-N 465.601 1.486 30 10 JDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1740857832 XHTCGRVKELOAFR-GOSISDBHSA-N 468.624 1.403 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1740955682 CNBUVPASEGEXCO-FQEVSTJZSA-N 495.628 1.779 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1740990963 LDJYADISLJJFMW-CABCVRRESA-N 479.525 1.625 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1740991334 UEEKFBOKBFEXMZ-RBUKOAKNSA-N 475.571 1.417 30 10 JDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1745790889 CJSRTXZDIPZBKC-QHCPKHFHSA-N 494.644 1.574 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1748734535 GCMBDMWLGKUCLK-UGKGYDQZSA-N 486.642 1.766 30 10 JDEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1748761086 MIBPSWPLJLEYFH-UHFFFAOYSA-N 463.546 1.223 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1748806039 YZYXJEOGQRUXOF-DLBZAZTESA-N 498.602 1.619 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1748808999 PCYUQSLFIKFQAL-UXHICEINSA-N 475.615 1.830 30 10 JDEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1748824718 RZKDLGQACFSIQU-QGZVFWFLSA-N 461.613 1.642 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1c(C)cccc1C 1748929250 HGGGZPHWKTYQSQ-LJQANCHMSA-N 461.588 1.766 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(O)(CC)CC 1748945267 OPOYZGMWSWKMLI-HXUWFJFHSA-N 493.605 1.941 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(NC(C)=O)c2)CC1 1748971118 DGLBOFKHGYNACM-UHFFFAOYSA-N 451.575 1.958 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)N2CCOCC2)CC1 1748994350 DULPCTJMYBZTPZ-UHFFFAOYSA-N 471.631 1.136 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1749006078 HRKWLYISOBQMGF-OAQYLSRUSA-N 494.596 1.843 30 10 JDEE C#CCSCCn1c(N2C[C@H](CC)[C@H](N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1749048213 LRJZCMOVNKIDCO-MIZPHKNDSA-N 463.648 1.844 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccs1 1749053355 HDRRUJXUJGCICP-AUUYWEPGSA-N 450.590 1.372 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC)C1 1749129242 BRFPWCLLIWKVCX-RDGPPVDQSA-N 453.609 1.829 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)NCC)CC1 1749135492 FKLQBQCYADKUIJ-CTNGQTDRSA-N 456.595 1.972 30 10 JDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749241779 SNBMKVCAMXNBET-FHWLQOOXSA-N 476.578 1.361 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1749756086 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1.974 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNS(C)(=O)=O 1359261066 VLGAIODLCGPETC-MRXNPFEDSA-N 471.580 1.061 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1359300534 FAHYLWLMMSCTDL-ZWKOTPCHSA-N 489.573 1.721 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(NC(C)=O)c2)C1 1359322503 WYBYEZOZKCWQPD-UYAOXDASSA-N 459.572 1.968 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1359329009 VIQKBQNNYPMPEP-IBGZPJMESA-N 471.543 1.631 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1359334582 KPXSHUIYKRYAGM-KGLIPLIRSA-N 465.498 1.157 30 10 JDEE CC(C)NS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1F 1448832984 BXJBSKDDKYIANO-IBGZPJMESA-N 458.515 1.915 30 10 JDEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1494657261 BFITZPRFCSGHQQ-AOMKIAJQSA-N 475.571 1.282 30 10 JDEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(C(N)=O)CCOCC1 1498108138 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FDVCAHYKYGFAJJ-SFHVURJKSA-N 453.522 1.812 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1508160720 HYNFWBNEUMWYQO-SQNIBIBYSA-N 472.681 1.449 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N(C)C)CC1 1508162679 RQFCIYGOTFUFIB-QGZVFWFLSA-N 455.650 1.794 30 10 JDEE CC(C)(C)NC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1508622215 GOFSURJJNGWVNF-SFHVURJKSA-N 485.614 1.882 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1509781210 IAVPCQYZGLWZSN-OAQYLSRUSA-N 499.641 1.887 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCC[C@@H]1CO 1538970523 CAXPLMUGINDFBB-BBTUJRGHSA-N 474.631 1.351 30 10 JDEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1539204449 AHJRYZDQQYWTQK-KRWDZBQOSA-N 494.415 1.861 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(=O)NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 1539206202 NKIUFPHVFCSUQZ-GOSISDBHSA-N 483.550 1.490 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1539231357 ROBDGXFFEBVMPM-NJDAHSKKSA-N 499.637 1.971 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1539260586 QJWSXUXEOSYKJF-OKYOBFRVSA-N 452.559 1.805 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1Cl 1539266443 QOVNGZDIEYBEDA-LJQANCHMSA-N 461.975 1.580 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2CC2CCN(C(C)=O)CC2)n1 1539424080 KHKUQCLMIKIQRI-JOCHJYFZSA-N 469.590 1.871 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CCOCC2(C)C)CC1 1539434965 ZFULUGGAYKVQPN-UHFFFAOYSA-N 468.602 1.828 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCS(=O)(=O)CC)CC1 1539437534 DEXQUPIORWQEOP-UHFFFAOYSA-N 466.405 1.898 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1539444263 LXIKOKXINVSKPE-UHFFFAOYSA-N 454.579 1.833 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)n2)CC1 1539488947 PDFRQBQGYOKUMA-UHFFFAOYSA-N 487.568 1.456 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1539802421 XLWZUQIKGJKWGS-WCVJEAGWSA-N 488.010 1.661 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1540862438 BEWIZTCUXMBHFB-PKOBYXMFSA-N 475.619 1.296 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1540865907 WFTPZEZIASBHPS-XLIONFOSSA-N 469.590 1.528 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCc2nn(C)c(=O)cc2C1 1540865981 YXCYUEPOTPVYFA-UHFFFAOYSA-N 490.387 1.728 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1540874635 NGZLHLHXKKOBCO-IBGZPJMESA-N 456.595 1.431 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1540876417 QHUWTSNVOXDUCQ-SFHLNBCPSA-N 460.623 1.657 30 10 JDEE N#Cc1ccc(CN2CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)CC2)cc1 1586913283 DDNNPSIBMVLFFG-GMAHTHKFSA-N 450.514 1.546 30 10 JDEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCN1CCCS1(=O)=O 1587932519 VJZQTLHESHYEKI-UHFFFAOYSA-N 468.377 1.821 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccc(F)cc1C)[C@H]1CCS(=O)(=O)C1 1588025435 ZPWWQQOHGSUHDP-FQEVSTJZSA-N 473.574 1.831 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588035037 OPLAJDABJHRQTH-OFNKIYASSA-N 479.647 1.431 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1588045546 MMZSZOPIJCAEGL-AEFFLSMTSA-N 460.556 1.626 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCN1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 1588060088 ZDIQXVNPKNOPMN-FQEVSTJZSA-N 489.617 1.482 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1588174113 QBFFKSMMZYAQIC-FQEVSTJZSA-N 452.559 1.854 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCCS2(=O)=O)CC1 1588769091 OEYCTHBOTMUUDV-LJQANCHMSA-N 458.544 1.576 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC[C@@H](O)C2)CC1 1588837442 URJZTXQPFKIUPM-HBMCJLEFSA-N 488.633 1.893 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC2CCS(=O)(=O)CC2)CC1 1588914179 ZHIVSYJAJYZJCE-UHFFFAOYSA-N 456.572 1.131 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1594783612 GEWGOGZUZOUURV-LJQANCHMSA-N 459.595 1.689 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CC(=O)NC(C)(C)C 1595536666 DQCQVCSJGCIKNU-UHFFFAOYSA-N 494.600 1.889 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1595569391 GOZLJBKJQCPXMW-XMMPIXPASA-N 455.559 1.976 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(N)=O)CC1 1595658946 ODLHIRDHRKWEGA-GOSISDBHSA-N 459.572 1.495 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1595789664 ZHPLAKFBZHCYRN-KRWDZBQOSA-N 461.592 1.325 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1595811912 GTNABAXGBAAZPC-GOSISDBHSA-N 451.618 1.836 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C)CC1 1595845177 NNVGDTQARLOHLT-INIZCTEOSA-N 466.637 1.233 30 10 JDEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)C1 1598027056 IBXGGBPKKMNWOR-CJFMBICVSA-N 465.602 1.872 30 10 JDEE CCOC(=O)/C=c1/s/c(=C/c2ccc(C#N)cc2)c(=O)n1CC(=O)N[C@H]1CCCC[C@@H]1C 1615608469 BAERMROPSSGNMG-IAUNECCPSA-N 453.564 1.649 30 10 JDEE C=CC[C@@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 1618301174 CYHJZMPBWOSYBE-INIZCTEOSA-N 450.561 1.063 30 10 JDEE COCCN(C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1619876594 FSGYIDYWFRPDPG-OAQYLSRUSA-N 463.945 1.882 30 10 JDEE C=C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1 1622726949 PRWZFRSRGFWXCU-QGZVFWFLSA-N 451.593 1.281 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)s1 1629973033 HLCSFXHBSLRBRE-HNNXBMFYSA-N 450.586 1.691 30 10 JDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1 1631841825 HHNFCWVOLUKIDH-UHFFFAOYSA-N 457.434 1.635 30 10 JDEE C#CCN1CCN(C(=O)CN2CCOC[C@@H]2c2c(C)nn(-c3cccc(OC)c3)c2C)CC1 1653271377 XFRPRVKVTFMWFY-HSZRJFAPSA-N 451.571 1.648 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)CN1CCOCC1 1689847334 XOTPWRVBHOFTFF-MSOLQXFVSA-N 459.620 1.664 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1689876979 NVAPNXSORSQSIZ-KRWDZBQOSA-N 471.649 1.630 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCOc2cccc(C(F)(F)F)n2)CC1 1690131232 WAOAYVIVCIMARF-UHFFFAOYSA-N 477.491 1.649 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1690155521 KNKMMUNGIGDVKB-UHFFFAOYSA-N 496.641 1.426 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCNC(=O)OC(C)(C)C 1690206149 IJLQJJGAUTXYFP-HTAPYJJXSA-N 496.634 1.518 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(c2ncccn2)CC1 1690665539 HKNOJJGFOLOUGM-UHFFFAOYSA-N 478.557 1.771 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCc2n[nH]c(C)n2)C1 1690687973 LVTPICUYQNLJJP-GOSISDBHSA-N 486.602 1.646 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(c2cnn(C)c2)CC1 1690729566 RBZQHZGMLGMEAT-UHFFFAOYSA-N 461.592 1.119 30 10 JDEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)(=O)CC1 1690747106 SUZFDVNJWICAEV-INIZCTEOSA-N 487.648 1.741 30 10 JDEE CC(C)N(C)Cc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1692799085 FKMVXTGCPKXXGG-FXAWDEMLSA-N 475.619 1.506 30 10 JDEE Cc1cccc(C(=O)NCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c1 1693162674 BSQWIHFOELCKTB-QRWLVFNGSA-N 463.539 1.069 30 10 JDEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1695008871 BLWUWOWXWZEMMO-TZIWHRDSSA-N 499.641 1.983 30 10 JDEE COC1(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1697221499 HYBWNNTWUASTIG-FXAWDEMLSA-N 466.608 1.700 30 10 JDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCCC2)CCO1 1697909873 DPGMKWYYDAFTNM-HXUWFJFHSA-N 489.598 1.938 30 10 JDEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705525320 DKWZZIYKHQOEGG-UHFFFAOYSA-N 488.390 1.720 30 10 JDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705537646 MQTBOESRMQVPQD-UHFFFAOYSA-N 468.558 1.452 30 10 JDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1705655697 PFURBYVCXRAYLJ-UHFFFAOYSA-N 454.600 1.721 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC2(CCOCC2)C1 1705661747 ILNJWAIPLJHINR-INIZCTEOSA-N 456.659 1.649 30 10 JDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705738704 HYFXVUTZWPGZMF-HSZRJFAPSA-N 453.547 1.671 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705786205 IPPBJEBCCPGAQZ-OAHLLOKOSA-N 476.669 1.351 30 10 JDEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705890177 BSNUEDQSFUKCDS-UHFFFAOYSA-N 489.621 1.752 30 10 JDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1705890277 HPHWEFSIJFKMDO-DLBZAZTESA-N 451.618 1.937 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCN(CC)C(=O)C1 1705895820 TUQDPPSQISYQKJ-UHFFFAOYSA-N 472.546 1.332 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1705899605 ZQYSVRZEIMMNDP-QGZVFWFLSA-N 455.538 1.969 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705901348 IZERJYQNTJCSHP-INIZCTEOSA-N 456.528 1.526 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1705934833 YLEWGUOMPRRNQM-UHFFFAOYSA-N 482.632 1.157 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](COc2ccccc2)C1 1705936103 KBAMTMFNGNZYDK-ICSRJNTNSA-N 462.572 1.667 30 10 JDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C(=O)NC)CC1 1709999692 BAAAASZNTUVLPU-UHFFFAOYSA-N 480.617 1.579 30 10 JDEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C1 1711347646 DANLBTXXQTYTNI-HYJWCJBQSA-N 456.572 1.602 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC(C)CC2)CCO1 1711368123 BQBNZMHJGNTQGT-NRFANRHFSA-N 467.574 1.412 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCS(=O)(=O)CC 1722281979 PFDCGAMRQJLFSU-OAHLLOKOSA-N 453.590 1.088 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cc(OC)ccc1OC 1722297372 ZGDSGTHPIUSLLS-UTKZUKDTSA-N 491.614 1.719 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1722358809 GFFNBZGRDVTNOO-LJQANCHMSA-N 468.583 1.979 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1722369932 IRWCLPHXIASIAU-IBGZPJMESA-N 473.599 1.564 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1722371811 LUKCDCOVZGSHSK-GOSISDBHSA-N 489.573 1.418 30 10 JDEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1722371935 NHIRHIMNFFNPRA-INIZCTEOSA-N 490.536 1.358 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCN1CCCS1(=O)=O 1722375853 SPBFQMLRSHSWQX-UHFFFAOYSA-N 480.363 1.955 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1722391139 XVMXQFINWRQZPN-ROUUACIJSA-N 480.635 1.854 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1722442901 HHUSWWWHEVHGPZ-QFIPXVFZSA-N 492.001 1.114 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C(OC)OC)c2)CC1 1722445778 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C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740615873 MVHAAMDCWNKADR-HYBUGGRVSA-N 485.610 1.935 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCNC(=O)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1740620580 FFCDQRPCOAYPIM-GOSISDBHSA-N 482.541 1.536 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1740623313 RFEDMDMPGAHNIM-APWZRJJASA-N 473.574 1.973 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCNC(=O)c1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1740627709 JRALXFOBMFYCFM-AZUAARDMSA-N 487.582 1.282 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCNC(=O)c2ccc(C)cc2)CC1 1740707610 IWOLBIAVXZXKLI-UHFFFAOYSA-N 452.559 1.519 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1740710090 RCKGTEWKTYIHIC-NHCUHLMSSA-N 458.607 1.452 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1740793836 WDUXLVSMUXIKCD-AZUAARDMSA-N 493.634 1.006 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1740956641 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C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H](C)N2CCCCC2)CC1 1749001290 PFTARAPHCDGPIO-HXUWFJFHSA-N 469.634 1.744 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1749006651 WKVVHBXQFYNHOJ-AVRWGWEMSA-N 491.600 1.684 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COCc2ccccc2)C1 1749670383 SKCHCNXYSOBOGQ-VQTJNVASSA-N 473.599 1.526 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2sc(C)nc2C)C1 1749712980 OEFINLRRBLBZHV-DLBZAZTESA-N 482.632 1.514 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1760179491 SHWYFXDKACUXMI-QUCCMNQESA-N 484.626 1.494 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1760189501 UXEIBSUKIYJIGD-MOPGFXCFSA-N 463.604 1.453 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(F)c(COC)c2)CC1 1760268616 MSJYEJYCGMTIPH-HXUWFJFHSA-N 468.533 1.529 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(OC)c(F)c2)CC1 1760271003 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CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C=C2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 1848435869 DJLSHSIHMXTUCG-NHIJKPDWSA-N 452.450 1.059 30 10 JDEE CN(C)CCCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1 1858977545 PFZDBXIEMJDCKV-UHFFFAOYSA-N 457.556 1.470 30 10 JDEE N#Cc1ccc(Cn2nnc(C#N)c2NC(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1870111062 WCBIVMHRXLJMKY-UHFFFAOYSA-N 484.432 1.993 30 10 JDEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(=O)OCC)s2)c(=O)cc1CN1CCN(C)CC1 1870587162 FQJMZPRUCIBKTP-UHFFFAOYSA-N 489.598 1.741 30 10 JDEE C=CCn1cc(OCC(=O)Nc2ccc(Br)cc2)c(=O)cc1CN(CCO)CCO 1870727038 CROOSKVFBALKSN-UHFFFAOYSA-N 480.359 1.601 30 10 JDEE NC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccc(O)cc1O 1874210546 WMRDMCLAZIFHRT-CRUCUMJDSA-N 466.523 1.665 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CO1 2247880425 FEDILEJRJFBUHQ-LBPRGKRZSA-N 460.383 1.877 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255754293 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C=CCNC(=O)Cn1c(N2CCN(c3ccc(Cl)cn3)CC2)nnc1[C@@]1(OCC)CCOC1 1286793845 NOBSZFCYEYNZLZ-JOCHJYFZSA-N 475.981 1.607 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1286815571 BALSHARWSCKLSF-UZUQRXQVSA-N 492.598 1.947 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCCC1 1286821874 CRMRTQACNAIBHY-UHFFFAOYSA-N 458.632 1.844 30 10 JDEE CC(=O)N1CCN(CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)C[C@H](C)C#N)CC1 1286888535 BKSIQEJWMOUXMR-QGZVFWFLSA-N 487.008 1.621 30 10 JDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1300357319 NAHYRUFLSROEFS-HBMCJLEFSA-N 469.634 1.850 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300481871 CDRLQURZERGVBY-AWEZNQCLSA-N 476.502 1.538 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(COC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1300496318 PQCBMYFZAVVYKV-OALUTQOASA-N 466.604 1.242 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1300505312 ZKPWSCPDEBYLQU-IBGZPJMESA-N 472.546 1.599 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1300506110 MLKIWOPKXCNPGD-SZMVWBNQSA-N 482.994 1.179 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCn1cncn1 1300579717 WCZGFZNBOJYMPR-UHFFFAOYSA-N 455.526 1.991 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC(F)F)c(F)c2)CC1 1300700424 OXIVTQCSVDIIGK-INIZCTEOSA-N 483.516 1.724 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCCN2CCN(CC)CC2)CC1 1300709847 IKIPQIRUAKQURW-UHFFFAOYSA-N 469.609 1.779 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2CCCNS(C)(=O)=O)CC1 1300719300 VPBHWNYACAUDPK-UHFFFAOYSA-N 495.609 1.398 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1300729240 RRTMBEJVGWGRJA-GOSISDBHSA-N 468.524 1.460 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1300990065 BHVNKJWQWKRDBC-HLAWJBBLSA-N 473.622 1.201 30 10 JDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1301193999 DQCZTBABURRRFO-IBGZPJMESA-N 480.635 1.388 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484.582 1.474 30 10 JDEE C#CCCCn1c(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1507599813 UJBMQMMNOXVVDP-OAQYLSRUSA-N 494.643 1.619 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507632046 IOHAGOJJUJCHDK-MSOLQXFVSA-N 454.618 1.387 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1507632852 QFFXGAASOFEDTI-RTBURBONSA-N 492.623 1.251 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1507638128 DOLCPJWTVYOGLI-FPOVZHCZSA-N 474.583 1.114 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1507691030 ZMASDMIWJSTLLL-OALUTQOASA-N 461.588 1.615 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1507701602 LYTVEASXTFQQJC-OAQYLSRUSA-N 491.589 1.817 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1507721910 VFMLJASZHFFVGM-ZNTNEXAZSA-N 459.554 1.789 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CCN2CCOC[C@H]2C)CC1 1507731686 AOTNLZOUPNXHOW-OAQYLSRUSA-N 468.602 1.732 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1507737729 DVSWPVDKJBBOES-FPOVZHCZSA-N 452.559 1.666 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(O)c2)CC1 1507807227 RDMCNYBHAVQMOA-OPYAIIAOSA-N 490.630 1.902 30 10 JDEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507840107 JJAYIXJGNSEPLK-UHFFFAOYSA-N 475.981 1.759 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1508072720 RRIPUWQAVFVKFS-UHFFFAOYSA-N 463.583 1.602 30 10 JDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1508080026 HPIQISBZHSFLKW-UHFFFAOYSA-N 485.614 1.599 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1508137668 PMHZTFQHZLDHPH-HXUWFJFHSA-N 490.605 1.428 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccnn2Cc2ccc(OC(F)(F)F)cc2)C1=O 1527999066 MGMXKQJBNUWWDJ-UHFFFAOYSA-N 451.361 1.745 30 10 JDEE C=C(Cl)C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O)C(=O)OCC 1531941050 YCJVZMXVSUECSF-VFNWGFHPSA-N 451.907 1.961 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CC(=O)N(CCOC)C2)c1 1539042499 GXSSTEZKVCTSHV-NHCUHLMSSA-N 494.596 1.723 30 10 JDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1539116440 OAOBREBUVBHGEJ-MRXNPFEDSA-N 469.571 1.773 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCN1CCCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539224309 FCWPHFGTPKRMDC-IFMALSPDSA-N 486.642 1.392 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1539224500 HMLNQIKEQCEYRP-NRFANRHFSA-N 450.568 1.837 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(CS(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1539225099 LTEAGRKGXPPKPW-FQEVSTJZSA-N 476.624 1.450 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCSC1 1539325797 NQZONXYJFWXOJO-JPYJTQIMSA-N 475.615 1.917 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCOCC1 1539325889 PQJACFPYTCEHFG-LEWJYISDSA-N 486.617 1.770 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@@]2(O)CCSC2)n1 1539424805 XBKNOXHGCDKWJI-QFIPXVFZSA-N 453.572 1.691 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1539460110 WMEXQNLFANQIBD-SZPZYZBQSA-N 455.651 1.914 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)c2ccc(C)cc2)CC1 1539488897 DWIUXNJIHWYZJE-OAQYLSRUSA-N 464.570 1.834 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2csc(C)n2)CC1 1539496105 BPJWCKKRBMAKLM-HNNXBMFYSA-N 483.689 1.342 30 10 JDEE C=C(Cn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1539770776 PBWVSXHDGUAYME-RDPSFJRHSA-N 455.559 1.983 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1539802420 XLWZUQIKGJKWGS-LVQVYYBASA-N 488.010 1.661 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(N(C)C)CCSC2)CC1 1539890903 VLFOOQBUROGNEQ-NQIIRXRSSA-N 484.692 1.451 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1540137832 VSEFNSVEOFUSAM-QFBILLFUSA-N 476.578 1.842 30 10 JDEE C=CCOc1cc(OC)ccc1C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 1540845831 IAUSGSDSAWDULB-CALCHBBNSA-N 453.561 1.372 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(OCC(N)=O)CC1 1540865011 ROTZJGWYIJEPJC-OAHLLOKOSA-N 472.615 1.904 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1540872506 RLVXOVOCAKCMPN-KGLIPLIRSA-N 455.531 1.707 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C)C(=O)C1 1540898613 PEOATSDNGAJVAK-UHFFFAOYSA-N 455.544 1.214 30 10 JDEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(S(C)(=O)=O)CC2 1548379191 HLJJIKDAGSFZIL-SFHVURJKSA-N 488.532 1.818 30 10 JDEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCCC1 1554301143 FHVPTRZZBXAWCA-UHFFFAOYSA-N 472.615 1.943 30 10 JDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)C1 1554542300 DPVXNRRCEIUQLS-PMACEKPBSA-N 468.558 1.575 30 10 JDEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1555814970 HMTJVCQVOMABCB-KRWDZBQOSA-N 492.627 1.160 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)CCC)CC1 1589493922 JAIFAYDFDIKSNR-UWVAXJGDSA-N 482.651 1.755 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1589708190 GEVOSKXMQZGPRG-QGZVFWFLSA-N 476.603 1.826 30 10 JDEE C=CCn1c(N2CCN(C(=O)COc3ccc(F)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1595453316 UBBZHGBEXXKZMT-HSZRJFAPSA-N 459.522 1.983 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCSC[C@H]1C 1595765872 IMJJPKHWNULHJE-OAHLLOKOSA-N 470.642 1.891 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2C)CC1 1595784918 NNMNQNDCTJPBPB-UHFFFAOYSA-N 455.588 1.914 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1595844737 HYVHXKHYXGDKJA-INIZCTEOSA-N 496.634 1.909 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1596789104 FQKUZBYPNNSKHB-SCLBCKFNSA-N 468.377 1.853 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C 1611663154 DYUFTZKLIRZXPI-HNNXBMFYSA-N 461.592 1.559 30 10 JDEE C=C1C[C@@]23CC[C@H]4[C@](C)(C(=O)O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CCC[C@]4(C)[C@H]2CC[C@]1(O)C3 1616057570 OQPOFZJZPYRNFF-NAFQOURDSA-N 480.598 1.414 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCC(C)CC2)CCO1 1618709052 HOKOEAAZASZPPE-SIKLNZKXSA-N 481.601 1.800 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C2)c1 1628863244 DMPCUHRKPJIBIS-MRXNPFEDSA-N 459.490 1.861 30 10 JDEE C=CCOC[C@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)OC 1635159150 UEBKBBPEMBUJIF-ZDUSSCGKSA-N 458.842 1.498 30 10 JDEE C#C[C@H]1CC[C@H](NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1651340701 ACOUEQOWPNYHQT-QRTARXTBSA-N 459.490 1.926 30 10 JDEE COCCN(CCC#N)S(=O)(=O)NCc1c(Br)cncc1Br 1655391479 DAOVYUYBIMTJLH-UHFFFAOYSA-N 456.160 1.803 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1689824740 WIOPBJHNESVGAG-YQVWRLOYSA-N 464.636 1.859 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(C)(=O)=O 1690048496 JUEYQZQPPVONBG-KRWDZBQOSA-N 465.576 1.094 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCOCC1 1690104078 LVSLTBXDIRDAGS-HXUWFJFHSA-N 492.621 1.395 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CCSC2)CC1 1690152234 CZFNOXLMCATMDQ-DEOSSOPVSA-N 469.611 1.999 30 10 JDEE C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1690284759 WZQXILQDFCLKBR-UHFFFAOYSA-N 456.576 1.777 30 10 JDEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCS(=O)(=O)N(C)C)CC1 1690372715 WIUQHCUHYYEFBX-UHFFFAOYSA-N 457.560 1.240 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1690720675 PRKIZXACZPDWBP-IBGZPJMESA-N 468.583 1.913 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1690783641 NHNJALGBXHOUBE-SLNYWTKHSA-N 467.530 1.678 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOc2ccccc21 1691003176 DHBSTRPXKPQMKW-HLIPFELVSA-N 474.587 1.773 30 10 JDEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(N(C)C)CCSC1 1696841893 HWRKGMMTBWEPJR-NRFANRHFSA-N 478.644 1.647 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1705517388 UVWJLBMFWFDCKV-WJFTUGDTSA-N 451.593 1.133 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C(=O)NCC)CCC1 1705545255 UQFPQJOOHDTPOR-UHFFFAOYSA-N 458.588 1.571 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1705559788 BKBIKUJLXOGRRU-KKSFZXQISA-N 498.556 1.585 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1705568382 MSNADMVSCGBLFR-LJQANCHMSA-N 476.647 1.149 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)c1 1705588270 BBQIXOOFZRNTFP-IBGZPJMESA-N 470.599 1.236 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2cccc(C(F)(F)F)n2)CC1 1705632653 XSEALAUHEUMVMJ-UHFFFAOYSA-N 477.491 1.762 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCN2CCOCC2)CC1 1705645687 AELPDFZRQBNWBW-UHFFFAOYSA-N 496.612 1.650 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1705648161 PFNFNWWYLHLNQO-ATJXCDBQSA-N 465.558 1.428 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1705648418 VZVWJWVQKFFEFI-GEMQDWRSSA-N 482.610 1.122 30 10 JDEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705660808 HLKXVVRMTZQQNV-UHFFFAOYSA-N 472.590 1.548 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2nccnc2C)CC1 1705896364 KCKDQAOMVQBEBX-UHFFFAOYSA-N 463.502 1.581 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1722281346 YDSUJIYZFLLKEM-ZJUUUORDSA-N 467.905 1.800 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722368398 RAJWTDYDUCIFQB-KZNAEPCWSA-N 481.619 1.712 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1722372113 PLDNPEKCJINQHG-FGZHOGPDSA-N 487.674 1.887 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC1CCOCC1 1722380228 IOBTXIAEEXEIFU-UHFFFAOYSA-N 460.538 1.851 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)NC(C)C 1722390351 QOAWXPYXLRZRNZ-UHFFFAOYSA-N 470.599 1.573 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@]2(O)CCSC2)CC1 1722445442 QELPMCFFHVYADJ-QHCPKHFHSA-N 455.584 1.788 30 10 JDEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccccc1 1722593787 ANWXUZJFOIHLPM-HKBOAZHASA-N 452.559 1.930 30 10 JDEE C=CCCCn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722621945 CWUBQNSDVRRGDK-HSZRJFAPSA-N 462.595 1.458 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CCC)C(=O)OC(C)(C)C 1722640682 RAPTVBCRLJXXDD-QGZVFWFLSA-N 486.639 1.880 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)C[C@H](C)C(=O)NC 1722695057 QNVNETYIFZBQGC-ZDUSSCGKSA-N 479.379 1.837 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1722698906 OWJWLJGQEKUJHV-ZIAGYGMSSA-N 486.019 1.775 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1722730594 WWKCCZKFDREYCH-LJQANCHMSA-N 461.588 1.871 30 10 JDEE CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCS(=O)(=O)N(C)C 1727601981 BFSVLZHAEPIJAX-UHFFFAOYSA-N 451.984 1.584 30 10 JDEE CCC[C@@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1727909876 FRAAXEQFUIKMRR-XMSQKQJNSA-N 473.603 1.325 30 10 JDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccccc2S(=O)(=O)N(C)C)CCOC1 1728794136 GIZDKDXFYADCFS-VXKWHMMOSA-N 492.577 1.671 30 10 JDEE CO[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)C(C)(C)C 1729879155 GKYYABRYDCIHSV-JFIYKMOQSA-N 467.578 1.667 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCc1nc2ccccc2[nH]1)[C@@H]1CCS(=O)(=O)C1 1740615621 HZMQEKRXORNRHF-QGZVFWFLSA-N 483.598 1.552 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](OC)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1740624324 HYGTYJMHJGTVQB-WOJBJXKFSA-N 489.573 1.554 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1OC 1740640331 KUVPUCJBQWOWQC-KRWDZBQOSA-N 458.540 1.327 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C/C=C/c2ccccc2)CC1 1740705299 DWMUGVAILSWMHM-VHTFYLNKSA-N 467.595 1.859 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC(F)(F)CO1 1740731780 HKSVTXREQCMUTB-IIDMSEBBSA-N 459.519 1.027 30 10 JDEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1740884759 LSWAJXOZRBOFLL-LJQANCHMSA-N 481.557 1.219 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1 1740941348 ITKIMMPIMWIBET-SFHVURJKSA-N 453.540 1.437 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1740968693 DHPPARRUJJRKIV-ZWKOTPCHSA-N 480.612 1.417 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCC(C)(C)O 1741938133 GXOXUTABPJLLCM-OAHLLOKOSA-N 479.582 1.387 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCc1nc(C)cs1 1748671235 HVFWLNLBPMBEJS-IRXDYDNUSA-N 466.633 1.857 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCC(C)CC1 1748672614 VRFLVVNYXILWFH-UXHICEINSA-N 466.652 1.581 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CCCNC(=O)c1occc1C)[C@H]1CCS(=O)(=O)C1 1748820423 BLDHHHILUDJASN-SFHVURJKSA-N 459.572 1.579 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1748846134 DCVDGNPLJQCODR-VXKWHMMOSA-N 480.638 1.464 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc(-c2ccccc2)n1 1748928924 BBMDTMXXOQHBIA-IBGZPJMESA-N 470.555 1.774 30 10 JDEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749021913 CHMGTOBHFWYRJA-MOPGFXCFSA-N 452.584 1.333 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1749034070 VNAHFAJMLIALIA-KRWDZBQOSA-N 452.540 1.328 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1749130427 LQOMZVVZPQWSOZ-AOIWGVFYSA-N 453.609 1.671 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1749663561 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C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1760185346 WANUPXINROJHJP-AZUAARDMSA-N 487.607 1.268 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760187355 VFISGZLLEKKWRH-VQTJNVASSA-N 492.623 1.024 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCNC(=O)c1occc1C)[C@@H]1CCS(=O)(=O)C1 1760188241 NYIUABULDMIFMC-RTBURBONSA-N 489.598 1.520 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1760270068 IHPVTIJPAKIUAZ-NRFANRHFSA-N 487.601 1.941 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C(=O)OC)C1 1760276119 SXMWLVWKJXGNTC-KRWDZBQOSA-N 477.612 1.561 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760287162 IOQVNKSMIQXQDE-FPOVZHCZSA-N 476.647 1.113 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)c1ccccc1 1760290236 ZOPKEMSDAMGTBK-OXJNMPFZSA-N 465.601 1.354 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1760315659 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Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1 2282698586 CLQCGKGHEPCRDN-UHFFFAOYSA-N 463.388 1.881 30 10 JDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282706153 IKAKTIBNBIGIKM-HNNXBMFYSA-N 461.372 1.057 30 10 JDEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315643085 HBUOCODADVTMIO-ZDUSSCGKSA-N 455.386 1.790 30 10 JDEE CCCCOc1c(OC)cc(C=Nn2c(S)nnc(CCC(=O)O)c2=O)cc1[N+](=O)[O-] 2323026632 KJXGKIYWLPKSBK-UHFFFAOYSA-N 451.461 1.922 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCOC1CN(C(=O)OC(C)(C)C)C1 2362402004 YFXOZVBTNKTDQN-UHFFFAOYSA-N 464.372 1.393 30 10 JDEE COc1ccc(C(=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)C(=O)O)cc1 606351551 PGGFEPOJRINPLF-UHFFFAOYSA-N 476.493 1.586 30 10 JDEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 729669530 QARRUICHGQUFTF-UHFFFAOYSA-N 481.440 1.117 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(-c3cc(C)on3)c2C)c(=O)n1C[C@@H]1CCCO1 837876209 NGCCBBATUYHNNG-IBGZPJMESA-N 493.589 1.598 30 10 JDEE Cc1ccc(CNC(=O)CSc2nnc(NN=Cc3cc([N+](=O)[O-])ccc3O)n2N)cc1 1083870355 ZIPYYKYJUVAFEI-UHFFFAOYSA-N 456.488 1.769 30 10 JDEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)cc1O 1083870616 FIZBRBSKUCHQBI-UHFFFAOYSA-N 458.460 1.791 30 10 JDEE Nn1c(NN=Cc2ccccc2[N+](=O)[O-])nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 1084443046 GUFHCGDRKZDZKS-UHFFFAOYSA-N 457.432 1.985 30 10 JDEE C#CCCN1C(=O)[C@@H]2[C@H](c3coc4cc(C)c(Cl)cc4c3=O)N[C@@](CC(=O)O)(C(=O)O)[C@@H]2C1=O 1088595898 CSVQGZIRUFSMDQ-DWKCODDLSA-N 486.864 1.322 30 10 JDEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCCNS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1286385368 XADXVRKFGNRHQF-KRWDZBQOSA-N 491.595 1.257 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1286392816 CEFQZWKXFRVLJN-IBGZPJMESA-N 471.583 1.318 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1286395783 NKRHXAPRTAKHKF-RTBURBONSA-N 475.590 1.965 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1286398794 PLRUEHBKCGYGHE-XUVXKRRUSA-N 474.631 1.914 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCNS(C)(=O)=O)CC1 1286475259 UWPQWEMYDVAYIV-UHFFFAOYSA-N 481.420 1.402 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)COCCO1 1286518286 SBGRLBIUPMXTOV-PKTZIBPZSA-N 473.599 1.993 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286541817 NDIUHMZOWLGTDF-XJKSGUPXSA-N 479.422 1.104 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1286780891 KWYIEELFIQYYJJ-UHFFFAOYSA-N 484.458 1.250 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](OCCOC)C1 1286787122 OSXNUAULSWVMEV-QGZVFWFLSA-N 481.557 1.126 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](COC)C1 1286789975 AVNZRHIETPFXCF-QZTJIDSGSA-N 478.594 1.752 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1288506548 HSAZYKCKVBQMCZ-DJJJIMSYSA-N 455.487 1.834 30 10 JDEE Cc1cc(C(=O)NC2CCN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)N(C)C)CC2)no1 1289284476 HAQHMKLOGFUHGP-UHFFFAOYSA-N 476.541 1.990 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 1293818493 VYAVTWMPDDZUGE-UHFFFAOYSA-N 456.480 1.105 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC[C@H]1COCCO1 1300318088 YKODZSPKHZDZRG-GMAHTHKFSA-N 452.603 1.906 30 10 JDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1300372952 XKGFSQQGHPJJIP-UHFFFAOYSA-N 492.609 1.894 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300493844 WNHSCTKWNYOINE-MSYCTHLASA-N 471.583 1.154 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(=O)Nc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1300494943 ABRKXENITDMVKH-MOPGFXCFSA-N 471.583 1.664 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1300496928 WLVUDNBIUBZKGC-UXHICEINSA-N 460.604 1.702 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)c2ccccc2F)CC1 1300683192 MXVBMNXLYOGKRU-QGZVFWFLSA-N 462.595 1.760 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1300689526 XLBPIHJIFANUDI-UHFFFAOYSA-N 459.572 1.295 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1300884371 KBZCWAKNVYGHJR-MTNOOBJLSA-N 451.593 1.614 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1301506541 MLJRLZILFNSZLO-INIZCTEOSA-N 451.535 1.141 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCCS2(=O)=O)C1 1301535866 PJKGFBKGXYYCPF-FQEVSTJZSA-N 488.614 1.964 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN(C)CC(F)(F)F)C1 1301555457 BVCHTVSOXUXABI-HZPDHXFCSA-N 465.542 1.846 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1301579792 YARHAESVLLSGKT-UHFFFAOYSA-N 484.582 1.958 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2F)CC1 1301584876 FQAKAYBTOQYLFC-INIZCTEOSA-N 480.541 1.435 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1301587364 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C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)COC)CC1 1359103822 TYEBIGPFFIMODS-UWJYYQICSA-N 488.614 1.546 30 10 JDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1359160567 XRIRMKDITZMWTO-NRFANRHFSA-N 454.593 1.415 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccn(CC)c2=O)CC1 1359179647 ZWUBTPCQOPQKIU-LJQANCHMSA-N 476.603 1.243 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1359292752 WYHHXERBGXYLFU-INIZCTEOSA-N 484.561 1.673 30 10 JDEE CC(C)(C)S(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1359586996 DPZDNQLCUHXRSR-YJBOKZPZSA-N 461.544 1.733 30 10 JDEE CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1OC 1501240983 CFINWULDUBKZOV-AEFFLSMTSA-N 475.571 1.906 30 10 JDEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1 1503620691 GQDOTRPNAAOOHX-YTTGMZPUSA-N 458.588 1.408 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1507572397 IKADYSZBDHYNNF-NHCUHLMSSA-N 492.628 1.965 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CC[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1507626008 MFFVOFBEFNBHRW-WKRCXCSHSA-N 454.568 1.695 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1c(CC)nn(C)c1OC)[C@@H]1CCS(=O)(=O)C1 1507635275 QXWOJZPIIKWHFI-QGZVFWFLSA-N 488.639 1.910 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N1CCOCC1 1507670140 YCPQNLASWJUQMC-HXUWFJFHSA-N 484.601 1.714 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCC(O)CC1 1507709796 ALMSJXQBSMKMQP-UHFFFAOYSA-N 479.585 1.125 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C)N2CCOCC2)CC1 1507718880 ULWGWAJYAGHYKW-KRWDZBQOSA-N 476.423 1.522 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCOC[C@H]2CCOC2)CC1 1507721512 UOUWUUADGOYHGK-HXUWFJFHSA-N 487.626 1.547 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2F)CC1 1507737943 DHIUUKNNAHZQFZ-SFHVURJKSA-N 459.547 1.333 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1507739850 LFBDYXQTTFUJHH-FQEVSTJZSA-N 463.586 1.488 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CSCCS2)CC1 1507740825 PUQNAIKVXCKZOZ-QGZVFWFLSA-N 462.645 1.215 30 10 JDEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507783533 FGDKQAJKMRDEEX-UHFFFAOYSA-N 462.352 1.823 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1507802826 DUAVXSZZOLIIJH-FAJBIJEISA-N 480.635 1.365 30 10 JDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)c(F)c1 1507968782 ZOIUCZSRKDDVSG-OAHLLOKOSA-N 452.556 1.535 30 10 JDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1508079886 GLNQOYHEVAPMFC-IBGZPJMESA-N 492.628 1.776 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@](C)(OC)C1 1508090456 IHJCGQGWAGBYPL-GAJHUEQPSA-N 478.594 1.894 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1508146585 ZIICVXPOEBCXSL-KRWDZBQOSA-N 479.578 1.857 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccn2)CC1 1508152637 PCCRCUORWQGDLH-MRXNPFEDSA-N 451.622 1.529 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H](C)C1 1508242679 NVZNAIDGKXAMJF-YFUCQSNDSA-N 474.525 1.400 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCCOC)CC1 1539452091 KVLYTSLLHOVHAU-LJQANCHMSA-N 478.594 1.005 30 10 JDEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@H](F)COC)CC1 1539453634 BFGDQKRKLIJJKF-QFIPXVFZSA-N 469.609 1.383 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(CCOC)c2)CC1 1539469767 GRJVOLYEJUNFEJ-UHFFFAOYSA-N 472.553 1.674 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1539642065 OVUANDUIBFTWIO-NSHGMRRFSA-N 455.625 1.904 30 10 JDEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CCOC)C(=O)C1 1539686161 KDINMHXWPKFANI-UHFFFAOYSA-N 461.592 1.418 30 10 JDEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539694693 JDMCNRGFCMFXOW-GOSISDBHSA-N 468.558 1.856 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1539829430 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1557842752 ZDUNGMOLEBQSHL-UHFFFAOYSA-N 457.600 1.458 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(F)c(Br)cc2F)CC1 1565170175 UCHVACWUTVEVIK-UHFFFAOYSA-N 451.293 1.022 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cnc2c(Cl)cnn2c1 1587562890 UWXKOEJRZULDMY-OLZOCXBDSA-N 450.956 1.285 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cc(F)ccc1SC)[C@@H]1CCS(=O)(=O)C1 1588024810 MJRZITSBCAGSGP-QGZVFWFLSA-N 479.603 1.952 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1588058920 FNUBECUMBSUTPN-DHMKHTPVSA-N 470.567 1.542 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)C(C)(C)C 1588193495 FLYZZDZCZIBUJU-UHFFFAOYSA-N 484.626 1.821 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2(S(C)(=O)=O)CCC2)CC1 1588929418 ABWCEQUHYMYZGW-SFHVURJKSA-N 463.604 1.105 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1593635891 BQSGKBKMZVJBRM-LJQANCHMSA-N 463.560 1.942 30 10 JDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1593736294 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AMISPTXUCTVKJY-IBGZPJMESA-N 484.667 1.514 30 10 JDEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cn(C2COC2)nn1 1690586496 OPHIZRSPZROUKS-UHFFFAOYSA-N 455.544 1.738 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCNS(=O)(=O)CC)C1 1690699799 JHUOOTADLGJNMQ-LPHOPBHVSA-N 463.560 1.511 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC(N2CCNC2=O)CC1 1690726789 LQPRVDIMQLDYIZ-UHFFFAOYSA-N 479.632 1.229 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCOC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1705564888 FBAKQXAYNPJNFW-ZCNNSNEGSA-N 466.604 1.242 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1705567144 VAIZBDOOWGMNFL-ZCNNSNEGSA-N 476.647 1.224 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([S@@](C)=O)CC1 1705576291 JBOVVFKVBBTIBH-SSEXGKCCSA-N 459.597 1.179 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2N(C)C)C1 1705661502 CRXRHQINSCEQNO-KRWDZBQOSA-N 460.629 1.570 30 10 JDEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705684302 LPEBBOMEXPVMPP-UHFFFAOYSA-N 498.385 1.996 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1705706588 XLCSVSRPVITFCR-NFBKMPQASA-N 470.622 1.331 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCCS1(=O)=O 1705714274 LCKNBURHLPSGCR-UHFFFAOYSA-N 471.587 1.630 30 10 JDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1705890278 HPHWEFSIJFKMDO-IAGOWNOFSA-N 451.618 1.937 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705910900 RBUWYMFUVXEZDS-UHFFFAOYSA-N 488.614 1.599 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705939012 POMKRUDMHRDHDE-FPOVZHCZSA-N 489.690 1.812 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C(C)C)C2)CC1 1706002370 BDNHZQXGCKPHEK-JOCHJYFZSA-N 451.575 1.842 30 10 JDEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC2(O)CCOCC2)c2ccccc2c1=O 1710301507 GFSBRGLUZNXYLQ-INIZCTEOSA-N 451.531 1.955 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C1 1710345453 DHUNJNIXEPEOFL-ZQHDKMAOSA-N 462.601 1.246 30 10 JDEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)Cc2ccccc2)C1 1712874735 AVVANWGGLQFXOO-JOCHJYFZSA-N 483.529 1.982 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1722332722 OBJDRXNHKBKQBE-VQTJNVASSA-N 464.636 1.337 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(F)cc1)N(C)C 1722353222 UHVFBAPWRRPJCR-RTBURBONSA-N 464.567 1.122 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1cnn(CCOC)c1)[C@@H]1CCS(=O)(=O)C1 1722363888 CKUYEOQXFMTISB-OAQYLSRUSA-N 486.573 1.526 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1722371193 HRIQAXCZMKNKOZ-ZWKOTPCHSA-N 454.618 1.072 30 10 JDEE C#CCN(c1nnc(COc2ccc(Br)cc2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1722372589 ZYJGZNZRDTYZQS-MRXNPFEDSA-N 483.388 1.893 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ccc(C(N)=O)nc1 1722390370 REJXCJZZJRQWBG-UHFFFAOYSA-N 474.521 1.976 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2ccccc2OC)CC1 1722437691 PDIVHHMPPLRFBV-MOPGFXCFSA-N 473.599 1.412 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(F)cccc2OC(F)F)CC1 1722447524 IYOTVAQKORBHBB-QGZVFWFLSA-N 490.486 1.984 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1722477268 DSBZISQMWYJMGO-UHFFFAOYSA-N 470.416 1.315 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1722536013 BGUBOGUPOCIPKF-OALUTQOASA-N 453.609 1.074 30 10 JDEE C=C(C)COCCn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OCC)CCOC1 1722538313 NQDQSVSWRGLLSX-NHCUHLMSSA-N 454.593 1.538 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccnc(-n3cccn3)c2)CC1 1722574570 NIWIOVZRCWCUMM-INIZCTEOSA-N 456.576 1.920 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCN(Cc2ccccc2)C1 1722685268 BHTFUOADRGTBPW-SFTDATJTSA-N 474.631 1.755 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1722690063 DVFVSLQKFWKIPL-JOCHJYFZSA-N 474.949 1.159 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1722692838 YJJRDAJTBGQMBI-KRWDZBQOSA-N 454.531 1.483 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1722700716 RJYGRAMZHJFDLZ-UHFFFAOYSA-N 497.619 1.881 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CNC(C)=O)C1 1722729408 JZGIITFYBQEFRC-QGZVFWFLSA-N 466.633 1.587 30 10 JDEE CN(CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1729535293 DYQSYPGXFXMYSH-HNNXBMFYSA-N 475.575 1.865 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1740540741 YNGPWYBQVVKTKG-SJLPKXTDSA-N 494.643 1.077 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCc2ccccc21 1740608532 BWSUZXCODSETGH-XLIONFOSSA-N 458.588 1.132 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)N(C)Cc1ccccc1 1740610500 CXZBEVGZKRJHDN-PZJWPPBQSA-N 474.631 1.591 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1OCCOC)[C@H]1CCS(=O)(=O)C1 1740625746 HWORMZFSLPCFAR-RTWAWAEBSA-N 488.610 1.872 30 10 JDEE C#CCN(c1nnc(CC)n1C[C@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740626438 KRCDGOAMLSYOCG-APWZRJJASA-N 456.490 1.917 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1740685243 CQDUGEXPMYWDDG-OKYOBFRVSA-N 451.593 1.133 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(N(C)C)c1 1740731938 MFNXVIUHDWNHAF-NFBKMPQASA-N 472.615 1.717 30 10 JDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740787084 ZSXVHQRAXYOAII-KRWDZBQOSA-N 454.597 1.013 30 10 JDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1740796129 PMYSGAXSWMWDNW-LJQANCHMSA-N 454.579 1.888 30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCn2cnnn2)CC1 1740819804 FMKSFUWZFDVLCA-UHFFFAOYSA-N 457.564 1.429 30 10 JDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1740936911 NPHZPUOIGSHLJP-RTBURBONSA-N 480.635 1.357 30 10 JDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1740942938 UFKCZWQUWGEALZ-AWEZNQCLSA-N 452.968 1.690 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1740952072 UBAWCPYJPHYOSW-JKSUJKDBSA-N 499.638 1.026 30 10 JDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1740957750 ZRMGZJRESRFOBU-SFHVURJKSA-N 499.641 1.847 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](N2CCCC2)C1 1740963547 OEDSAZQTKBHIJT-QGZVFWFLSA-N 457.604 1.636 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1740993604 ATLAAOGQYYCPAY-HOTGVXAUSA-N 467.617 1.732 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1741001073 KLTSGCLGQNUHGQ-CVEARBPZSA-N 458.592 1.546 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCCCO)C[C@@H]2C)CC1 1741057801 BJLMKDNJOJINSA-WMZHIEFXSA-N 465.602 1.968 30 10 JDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C[C@@H]1C 1746453609 BPYVSTLEGHOHMM-SFHVURJKSA-N 473.603 1.295 30 10 JDEE 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1.584 30 10 JDEE CC(=O)c1ccc(NC(=O)CSc2nnc(NN=Cc3cc([N+](=O)[O-])ccc3O)n2N)cc1 1084349064 BSRLILQGTQVORZ-UHFFFAOYSA-N 470.471 1.985 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1CC1(OCCOC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1286389736 POHWRQRXMADWFK-IBGZPJMESA-N 466.604 1.385 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCNC(=O)C(C)(C)C)CC1 1286486005 FHOJISYLQKWGLQ-UHFFFAOYSA-N 473.622 1.325 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1286499001 CPWNHGHNTWHLIL-SFHVURJKSA-N 473.624 1.916 30 10 JDEE C=C(Cl)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(=O)NCCOC)CC1 1286627451 FKEXXZMSYJWPFG-UHFFFAOYSA-N 486.964 1.231 30 10 JDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)c1ccccc1)C1CC1 1286736866 IXZCJOUASWSZOE-MRXNPFEDSA-N 450.586 1.809 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCN2C(=O)CC[C@@H]2C1 1286781971 GMNONYHTBVKSQF-CQSZACIVSA-N 489.374 1.829 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1286802378 SXTLXPDORVUJFZ-AEFFLSMTSA-N 480.612 1.565 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286821048 ZDIBIPAHUREFGT-UHFFFAOYSA-N 464.636 1.281 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cn2cccn2)cc1 1286958742 BHERVDKOCQSENY-SJORKVTESA-N 456.576 1.777 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC(F)F)c1 1300333694 BQALJTVNUADZFD-MRXNPFEDSA-N 481.525 1.866 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCS(=O)(=O)CC=C)[C@H]1CCS(=O)(=O)C1 1300489766 RWANSOXGXSJKNB-INIZCTEOSA-N 452.558 1.074 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCSCC1 1300666222 VKKIHBHJSZTYAH-UHFFFAOYSA-N 470.647 1.587 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cn(C)nc2-c2ccccc2)CC1 1300681988 CTFMKSXBYZSMMG-SFHVURJKSA-N 482.614 1.092 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1300732406 BIVDLKPYRAGMFG-UHFFFAOYSA-N 473.566 1.885 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOC(C)C)CC1 1300892439 SNNSXYWMWUDINJ-NFBKMPQASA-N 460.623 1.929 30 10 JDEE 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10 JDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1540857060 UNBLJCZSKPABHD-IAGOWNOFSA-N 475.619 1.792 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(c2ccccc2)CC1 1540904041 JRCTZBMLVPLKLO-GOSISDBHSA-N 494.639 1.269 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC=C(Br)C1 1540906874 FMKSOTCQPBPZMT-UHFFFAOYSA-N 458.382 1.490 30 10 JDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccccc1OCCN(C)C 1543317781 GKQRUUVPLCSBSB-SFHVURJKSA-N 461.574 1.952 30 10 JDEE N#Cc1ccc(N2CCC3(CC2)CN(C(=O)CCn2cnnn2)C[C@@H]3CO)cc1C(F)(F)F 1548405587 HDCAKMKMMABBSK-MRXNPFEDSA-N 463.464 1.691 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)CC1 1562689302 XTWNWXHZXJJXRA-UHFFFAOYSA-N 452.430 1.774 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC(=O)NCC(F)(F)F)c1 1587683145 CHBLYBRWCZGVBV-UHFFFAOYSA-N 479.463 1.151 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CCOC2)CC1 1587766708 XUMRUQFQMRVMQO-VQTJNVASSA-N 465.620 1.667 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1588034358 DTTRGKFVTKSRMI-BZSNNMDCSA-N 456.634 1.772 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588044648 AGBLKIZCWDZJMS-GOSISDBHSA-N 487.582 1.115 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(-n2cncn2)nc1)[C@@H]1CCS(=O)(=O)C1 1588058696 AMMJETPIGXYVRE-GOSISDBHSA-N 454.560 1.127 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1588065411 YGQLTTMICPTWTL-LEWJYISDSA-N 456.616 1.765 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)c1ccco1 1588593970 DKZGFEPOORGWOU-JOCHJYFZSA-N 458.540 1.935 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2snnc2C)CC1 1588890479 ADKPUMHEDFVJLG-QFIPXVFZSA-N 473.603 1.493 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2CC2CCN(C(=O)OC)CC2)CC1 1588892045 WBYOKXZWNZGAJU-SFHVURJKSA-N 490.605 1.446 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCCN2CCCO)CC1 1588913182 BHLHUQPNOKLSTQ-FQEVSTJZSA-N 468.577 1.897 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1589110403 UVBWNSLJCWYVBH-HXUWFJFHSA-N 479.653 1.651 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)CN(C)C1=O 1589171956 VCQXXKPRAJABIU-DHIUTWEWSA-N 470.599 1.666 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCCOC)C1 1589406569 XRTZEWYOBMJGFH-LSDHHAIUSA-N 463.398 1.721 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)nc2OC)CC1 1594097223 NXRUSYOLCXEFIQ-QGZVFWFLSA-N 478.575 1.228 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC2(C1)OCCO2 1595218051 GEENFDPMTNYENU-ZWKOTPCHSA-N 467.592 1.333 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1595405060 AIGNIXKCGWDJAE-RBUKOAKNSA-N 462.595 1.931 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)CC[C@H]2C1 1595501475 VKXWKCFWAHRRGL-LBPRGKRZSA-N 465.377 1.882 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)[C@@H](C)CC)C1 1595728809 FYEIGPLPBNEDKM-TWFHAPMSSA-N 471.624 1.189 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1595871436 QUEJYRUBTSMNPR-NZSAHSFTSA-N 461.636 1.137 30 10 JDEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1615993238 GMHREEHSZJAEHM-SFHVURJKSA-N 487.586 1.377 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1617384309 FUHRXIKMEKGCLK-QGZVFWFLSA-N 473.603 1.449 30 10 JDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NC(C)=O)c(Br)c1 1621679175 PAXBIYXITJNADG-LBPRGKRZSA-N 451.364 1.771 30 10 JDEE CN(C)C(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(F)c1 1626604270 FJGGCFNPSPDVGG-UHFFFAOYSA-N 459.503 1.938 30 10 JDEE C[C@H](CC(=O)Nc1cccc(CN2CCN(C)CC2)c1)/N=C1/NS(=O)(=O)c2ccccc21 1631008981 HJLIHKHGCJCODB-QGZVFWFLSA-N 455.584 1.890 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689983468 BYPFSZFHMRJOKJ-OAQYLSRUSA-N 452.584 1.928 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1690148249 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C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1c(OC)cc(OC)cc1OC 1705597237 ZGEKLJUHORRQST-IBGZPJMESA-N 451.527 1.961 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCc2ccccc21 1705598677 OQWFSAVCVGHIPA-NZQKXSOJSA-N 496.637 1.525 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC1CC1 1705614565 NIHNAKSATKWGOG-SFHVURJKSA-N 481.619 1.871 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](F)COC)CC1 1705646697 NROUELVZWLLRFX-GOSISDBHSA-N 459.522 1.913 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1705649681 CTTRFPKOUAWCDT-UHFFFAOYSA-N 478.645 1.256 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705708459 CPTKTNUXMKQMPB-NSHGMRRFSA-N 453.609 1.800 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncnc3ccsc23)CC1 1705720931 IFKWONVBVXLLSU-CQSZACIVSA-N 462.605 1.796 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C2CC2)N(C)C)CC1 1705781661 FQRACZUQHPJUFZ-OALUTQOASA-N 452.625 1.354 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1N(C)CCCC1(C)C)C1CC1 1705854749 NNBZHSBOMQNZSN-RBUKOAKNSA-N 466.652 1.886 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1705937462 UPMXDGBIPYYTIR-FQEVSTJZSA-N 460.604 1.166 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCCn2cc(CO)nn2)c1 1722310342 UQSAHPMUULQQSL-UHFFFAOYSA-N 459.514 1.504 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722359250 KBRGLAANJATRHQ-QUCCMNQESA-N 492.623 1.400 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722363429 TZUVLKWNEPWOEF-IAGOWNOFSA-N 461.588 1.539 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CN(C(=O)OC(C)(C)C)C1 1722427812 OESKAAUBAFOTLU-OALUTQOASA-N 463.579 1.955 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2)C1 1722460017 BGBNMQGPJMEXQP-PMACEKPBSA-N 475.640 1.971 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1722490560 AQJDZGJYVOLTAB-MLYOOKFZSA-N 482.651 1.755 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ncnn1CC(F)F 1722505102 ITAQCLORGBMQAX-DEYYWGMASA-N 450.494 1.703 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@@](=O)C(C)(C)C 1722517818 NYPZVRQUHQIIIS-GUNSETOZSA-N 461.654 1.561 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccc(C)c(F)c2)C1 1722717998 FTKMDQXCOIZNBG-RTBURBONSA-N 491.589 1.839 30 10 JDEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1723089182 BPKBFLOZTBAMHO-WOJBJXKFSA-N 465.558 1.748 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)CC1 1723658222 DMNQXPCQPLWTBG-LJQANCHMSA-N 468.606 1.325 30 10 JDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2cccc(S(=O)(=O)NC)c2)CCOC1 1728760450 FXDYNNPIYNIAGN-HRAATJIYSA-N 462.576 1.482 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c(c1)CCO2 1740549706 GPOIPSGYNMZTQD-OXQOHEQNSA-N 459.572 1.247 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1740708216 GXSUZTLQDACISN-UHFFFAOYSA-N 499.616 1.233 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1740709999 OQJANGNEGULHLE-IBGZPJMESA-N 487.674 1.450 30 10 JDEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1740782025 UICVSQUOVQQKBB-UHFFFAOYSA-N 465.558 1.936 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1740868034 BZIJDEPYOXLSHD-INIZCTEOSA-N 462.576 1.523 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1740988358 BPOHNWVYIMTZIJ-INIZCTEOSA-N 469.011 1.751 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1740992873 VCQVLUZSVCMFIR-UYAOXDASSA-N 494.639 1.829 30 10 JDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1741006688 ORUBTJPZYKJHIY-LJQANCHMSA-N 476.647 1.989 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1748818764 GAAKXFAEDFFDKJ-LEWJYISDSA-N 458.632 1.867 30 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C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)O[C@H](C)C1 1301480890 GLSHTLYFSJQCDP-HUUCEWRRSA-N 461.592 1.462 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1 1301520410 GDDAXLNSIXXEID-OXQOHEQNSA-N 455.563 1.155 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1301585972 ONJXCLGDAHLGGA-MRXNPFEDSA-N 467.983 1.521 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1c[nH]c2ccccc12 1303866123 GJRJNWAJCYJQRU-RDJZCZTQSA-N 457.560 1.731 30 10 JDEE CN(C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C1)S(C)(=O)=O 1314802544 BZTZOGSDYHKMDO-ZUQCGGBESA-N 490.655 1.836 30 10 JDEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1315979887 HFCFPIHUJUCWHH-SQJMNOBHSA-N 498.584 1.344 30 10 JDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NC(=O)COC)CC1 1358906950 YLWXVSJMCPTRFZ-UHFFFAOYSA-N 473.599 1.884 30 10 JDEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(C)(=O)=O 1358912897 AOWVFPOKNYMHGG-KRWDZBQOSA-N 469.608 1.871 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)CC1 1358912920 BEQFMPJCKAHTFW-GHTZIAJQSA-N 453.609 1.810 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=C)C)[C@H]1CCS(=O)(=O)C1 1358958241 KCYUYDSDANJTHJ-SFHVURJKSA-N 477.612 1.398 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1358966648 SZRXRRROOPICFF-DLBZAZTESA-N 477.612 1.321 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1359103033 ITSVDPDKLRIHKF-JQVVWYNYSA-N 494.662 1.490 30 10 JDEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1359225632 FPJHENORNHCTIY-QGZVFWFLSA-N 467.530 1.528 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359291735 AWBSKGPXGJQAKI-GOEBONIOSA-N 451.524 1.483 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COc2ccccc2)C1 1359300616 GQQOKHXVVABTCA-ZWKOTPCHSA-N 459.572 1.388 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 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C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1539475774 NYILWRKYSAJQFB-UHFFFAOYSA-N 492.605 1.899 30 10 JDEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539497277 KXWQAYQUZWSSSD-WBVHZDCISA-N 489.001 1.585 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cnn(C)c1 1539578945 FYAQWCKJPYPVAE-JSGCOSHPSA-N 458.386 1.872 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1539891104 XVGIROGVHZFVDI-ZJOUEHCJSA-N 496.678 1.513 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1540862381 AJNOBJFXYKKLRM-KSFYIVLOSA-N 477.562 1.874 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC2(CC2)C1 1540871026 BRNQEHGTKRTWBQ-QGZVFWFLSA-N 476.578 1.506 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1540897951 WNGPAYGXJHPBSB-BYICEURKSA-N 460.560 1.123 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1540899556 RYFNUVLZUVWLJM-UHFFFAOYSA-N 468.583 1.866 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1540906775 BGJLHZQDZOEHDQ-JOCHJYFZSA-N 478.640 1.679 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1540907509 YXAJWANZPAMDKD-AZUAARDMSA-N 473.599 1.388 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1543883761 BNZQBCOLCUPOOP-GHDARCQNSA-N 481.667 1.860 30 10 JDEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)CC1 1547727517 GMBGXSKMMTVGJX-PMACEKPBSA-N 487.674 1.960 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCOC[C@@H]1C 1587574088 BDQKWKPFLIYKIP-SJORKVTESA-N 459.620 1.725 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1N1CCOCC1 1587640868 VSYYYIHJIRTFSD-QUCCMNQESA-N 457.600 1.831 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588025378 XWUIMUNWRWBECZ-FPOVZHCZSA-N 484.626 1.666 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1588040717 PMDJPWQULNKTOJ-MBSDFSHPSA-N 476.599 1.996 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCN(C2CC2)C1 1588595414 SWSIFXSXECWPRY-GOSISDBHSA-N 457.600 1.919 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1588899666 ULVLSBMGALMOLG-GOSISDBHSA-N 485.610 1.744 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1589008431 VFUDDTVTHRGLNS-SJLPKXTDSA-N 459.597 1.430 30 10 JDEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1589427203 DDDDYFBGDUPZNJ-UHFFFAOYSA-N 490.406 1.153 30 10 JDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1595319445 QMRMCFMWUQHKAJ-ZDUSSCGKSA-N 470.958 1.829 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1595477649 XBTIAYWMNOKQQN-GOEBONIOSA-N 467.979 1.997 30 10 JDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 1595598440 AWVUVBXUCKIWDE-INIZCTEOSA-N 455.540 1.251 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1595602745 POJGAIVDFXAPGT-DRMXPCRNSA-N 471.606 1.984 30 10 JDEE C#CC[C@@H](COC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1595816569 GDWCZBCVVMXZEY-KRWDZBQOSA-N 455.964 1.108 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCCCO1 1608578810 HKAHQSIANMHRKS-IRXDYDNUSA-N 453.551 1.362 30 10 JDEE C#CCCN1CCC(NC(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccccn3)c2)CC1 1610942839 BVGNUEDIOVEBEL-UHFFFAOYSA-N 456.568 1.786 30 10 JDEE N#Cc1nccnc1N1C[C@@H]2OCc3cn(nn3)CCCOc3cc(ccc3Cl)C(=O)N[C@@H]2C1 1616115020 ZZIZHLSKQDXCKM-QUCCMNQESA-N 480.916 1.580 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(Cc3nc(-c4cc(C)ccn4)no3)CC2)C1=O 1625271731 FIJAKAXYMCXHDT-UHFFFAOYSA-N 452.471 1.198 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3cccc(Br)c3)CC2)CC1 1684679020 VZRKUALSKKGMIE-UHFFFAOYSA-N 455.378 1.276 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCS(=O)(=O)C1 1689846762 NIACNORFABCPCN-CABCVRRESA-N 450.590 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C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2Cc2cnn(CCOC)c2)CC1 1539475421 FWOFPBBCNMKMDO-UHFFFAOYSA-N 465.533 1.941 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)c2ccccc2)CC1 1539477625 SZDGELAGBKEAPD-NTKDMRAZSA-N 450.543 1.103 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(C)C)CC1 1539480714 DUKZAMKKKBCOJD-IBGZPJMESA-N 480.635 1.013 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1539491730 UGGRSNOVPPFBAN-SFHVURJKSA-N 455.588 1.450 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]2CCC[C@H]21 1539517535 PHHLSNCAWCZCPJ-KURKYZTESA-N 453.634 1.746 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1539599387 FCUCMDLNCFGJBK-JYJNAYRXSA-N 490.424 1.667 30 10 JDEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539688928 WPYXNBCKKKALNX-UHFFFAOYSA-N 456.547 1.712 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1539873790 DNKODDSOOABZHU-INIZCTEOSA-N 481.644 1.884 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCN(C)C2=O)CC1 1539902968 PRTJQXPVHAJAEC-INIZCTEOSA-N 452.625 1.939 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(C(=O)NC)CC1 1540864532 CPFVICAAWGIXII-UHFFFAOYSA-N 491.390 1.981 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1540868944 XCNQHTPMUIQTMH-UHFFFAOYSA-N 454.579 1.456 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1540869042 ABYHLPMBVAVBOI-RISCZKNCSA-N 456.425 1.464 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1540902121 AZHXPRZCQJKWIV-MOPGFXCFSA-N 459.572 1.878 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1540903310 BDCHZXGHVKONMU-OXQOHEQNSA-N 452.602 1.915 30 10 JDEE CCOC1CC(O)(Cn2c([C@@H](C)CC)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 1548035091 AQLWPPRHXHTAKX-CFHWWMOJSA-N 456.595 1.962 30 10 JDEE CN(C)C(=O)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1552678128 FNQDVRTUFSXBCM-UHFFFAOYSA-N 487.568 1.992 30 10 JDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(CS(C)(=O)=O)CC2)c1 1554795782 AGONRWWAUZUTBU-GOSISDBHSA-N 461.544 1.516 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)C2CCN(S(=O)(=O)CC)CC2)c1 1570027470 KCXLAKJTJVRBKB-INIZCTEOSA-N 455.602 1.120 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1588030648 ZETCQJOXGBUNBQ-NVXWUHKLSA-N 473.534 1.361 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccsc2)n1 1588723979 RTHPYWDYXUPZBW-GOSISDBHSA-N 474.612 1.773 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CN2CCCCC2)C1 1593635905 CCTYQAOJHHYCDT-RTBURBONSA-N 452.625 1.499 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(CC)n1)C1CC1 1595058503 NUHKKTFMHBCUND-MRXNPFEDSA-N 452.606 1.833 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1595569229 CJWWMFOLAWGZLE-OAQYLSRUSA-N 471.606 1.996 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H](C)N1CCOCC1 1608523336 FYCRASWGSHEUCR-NRFANRHFSA-N 494.644 1.721 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CC3(O)CCCCC3)CC2)c1C#N 1612469762 GBGVBTNTIKCVTN-UHFFFAOYSA-N 469.594 1.352 30 10 JDEE C#CCn1cc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)cn1 1626740443 MEMQLRDJIUNRQH-UHFFFAOYSA-N 457.339 1.774 30 10 JDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCNS(=O)(=O)c1ccc(Br)cc1 1628679904 CUUZJNILCYUBSK-UHFFFAOYSA-N 459.362 1.921 30 10 JDEE C#CCN(CC(=O)N1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)OC)C(=O)OC(C)(C)C 1634925217 FJOWRPIRCUAQSN-MRXNPFEDSA-N 453.536 1.868 30 10 JDEE CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 1639233768 HCQUKGVSDDVKNN-UHFFFAOYSA-N 455.945 1.600 30 10 JDEE C=C(C)Cn1c(SCC(=O)N2CCC(NS(=O)(=O)NC)CC2)nnc1-c1ccco1 1639907115 SFOJHUKRUSLDPL-UHFFFAOYSA-N 454.578 1.251 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2Cl)CC1 1670882493 PLVLOHDRTYZQAS-MRXNPFEDSA-N 457.980 1.870 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 1682299971 BMHJUTLQZSLKJN-IRXDYDNUSA-N 459.551 1.594 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1689860747 GUTKHJGVJMVQLB-SFTDATJTSA-N 470.643 1.535 30 10 JDEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CCS(=O)(=O)N1CCSCC1 1689975330 RYRHRSWWCCQLOU-UHFFFAOYSA-N 463.629 1.922 30 10 JDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1689994264 VELUFLSIEWDPSK-LJQANCHMSA-N 468.583 1.434 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1690035743 IQMCVMWUVRUSGS-KRWDZBQOSA-N 472.567 1.869 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C(C)C)N1CCOCC1 1690043411 ACNDCIOBPLGLOR-FQEVSTJZSA-N 452.559 1.826 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(O)CCOCC2)CC1 1690115160 VHTBTZPKTPLJOC-UHFFFAOYSA-N 471.558 1.268 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCCC2)C1 1690174763 JLKUBKXCFMRTQQ-GOSISDBHSA-N 483.660 1.517 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1690433448 WPVKOUYJEZYJSE-FQEVSTJZSA-N 492.690 1.917 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1690711817 ISTBCURKSUXFAB-IAGOWNOFSA-N 479.628 1.876 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1690715169 FKIOEQAFXDYIJJ-ULQDDVLXSA-N 459.638 1.506 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1705524643 QBXAUAFDDXSSQV-HZPDHXFCSA-N 454.597 1.747 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccnc1)C(C)C)[C@H]1CCS(=O)(=O)C1 1705559199 UDUBGLUXEHEJLS-SFTDATJTSA-N 484.626 1.976 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705566596 OPEFFCNFWSZKCF-RBUKOAKNSA-N 465.620 1.257 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1Cc1cn(C2COC2)nn1 1705578693 CGPRKJUOMMEHKZ-UHFFFAOYSA-N 452.316 1.992 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1F 1705599385 YITCHNBTVSFEMM-IBGZPJMESA-N 477.537 1.595 30 10 JDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCNC(=O)[C@H](C)CCC)CC1 1705641101 QJNOGGYSWCIDIS-HXUWFJFHSA-N 462.602 1.824 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC2(O)CCN(C(C)C)CC2)CC1 1705649045 IIEIOSGQVZTKAZ-UHFFFAOYSA-N 465.602 1.541 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1705649495 ZZVSLVOXIJAUAH-UHFFFAOYSA-N 474.569 1.442 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705706341 SMOSQGQBKNPMLO-GCJKJVERSA-N 473.647 1.825 30 10 JDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1705734212 HJZQMTSDWSCFOQ-DENIHFKCSA-N 455.607 1.865 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1705937487 VOJBRZMHQNVNED-NRFANRHFSA-N 484.630 1.990 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)CN(C)C)CCO1 1706054630 DSKGTNBWBVRZLJ-OAQYLSRUSA-N 469.590 1.658 30 10 JDEE CC(C)C(=O)NCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)CC#N 1706237218 GDDIFPGBUGVCES-INIZCTEOSA-N 461.592 1.706 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOC2=O)cc1 1706848428 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1.710 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCOCC1(C)C 1358971454 WOFXVYFXXCDPBY-UHFFFAOYSA-N 483.642 1.730 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1358989255 VJSVIPVFUHOBND-HXUWFJFHSA-N 450.923 1.750 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCS(=O)(=O)N(C)C 1358991557 GBUIDUFAPJNWFX-UHFFFAOYSA-N 495.609 1.419 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCOC2)n1 1359027840 XUSRJOGPCAGEJI-JOCHJYFZSA-N 471.949 1.628 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1359046034 BIWLIMAQKCBOMX-OAQYLSRUSA-N 492.624 1.638 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1359304579 BNIMDNVAIBGIAA-UHFFFAOYSA-N 450.547 1.528 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1359332187 RFWRCJHTWAYUFM-IBGZPJMESA-N 492.602 1.816 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCc2cc(F)cc(F)c2C1 1359334688 NZASNGUVJCRBRN-UHFFFAOYSA-N 465.526 1.842 30 10 JDEE 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492.045 1.870 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nccc(C(F)(F)F)n1 1539295545 CIYSTYVMRDOBDB-AWEZNQCLSA-N 469.493 1.403 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2C[C@](C)(O)CCOC)CC1 1539446012 NVUXDMYKLUTYEK-AREMUKBSSA-N 493.612 1.779 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN2CCOCC2)CC1 1539468821 JATZYXOQAVKHTF-RUZDIDTESA-N 488.633 1.007 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)N2CCOCC2)CC1 1539469608 DFJQXUBNKLOEIA-GOSISDBHSA-N 481.557 1.540 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC2(N(C)C)CCOCC2)CC1 1539470121 KMCFRBMKGXGLHO-UHFFFAOYSA-N 454.575 1.923 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccnc(OC(F)F)c2)CC1 1539477227 KIFZMQYBAIVJEU-MRXNPFEDSA-N 473.484 1.240 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1539489351 UWTMLOFKKQUYPH-RUZDIDTESA-N 466.586 1.198 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1nccs1 1539630484 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C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS(=O)CC1 1690226524 BRPXLPVSYMPAQY-UHFFFAOYSA-N 463.361 1.669 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@H]1C 1690560729 ZUDWKCWLFLEWGF-DENIHFKCSA-N 484.626 1.965 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1690670401 AYTVJKGLJUQDOS-NRFANRHFSA-N 496.612 1.764 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(C)C)CC1 1690723189 KQHXZNLRARKMQO-UHFFFAOYSA-N 464.592 1.573 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1690724412 OHTWXQAMHNQOJS-KKSFZXQISA-N 498.602 1.018 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(C)C)C1 1690724587 RZRNSWKCJHSDBM-ZWKOTPCHSA-N 489.664 1.084 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1690729035 DVMFLFLCAFOVRB-JOCHJYFZSA-N 475.571 1.183 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1705598123 BQUUJMQVWQNYNK-MOPGFXCFSA-N 471.558 1.126 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cc(C)no2)CC1 1705634141 LBPDKVCSQWZXST-UHFFFAOYSA-N 469.571 1.295 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2noc(CC)n2)CC1 1705645698 ARRZBFKVNBMUNE-UHFFFAOYSA-N 458.526 1.971 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1705652123 QLACDGKRAMAMNH-AWEZNQCLSA-N 481.504 1.797 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](COCC)C1 1705898757 WQLYCWYBMRMFDP-QGZVFWFLSA-N 451.535 1.476 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705906405 CVAPHOIYHAFOBF-JOCHJYFZSA-N 481.645 1.992 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1705934902 AFDUOCAMHWHESG-WOJBJXKFSA-N 464.563 1.993 30 10 JDEE CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1 1705995865 JZODHAOGDPSLJQ-FTGFMQHASA-N 477.569 1.761 30 10 JDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1cccc(OCC(N)=O)c1 1709141742 CORBUJIWCFOPTP-INIZCTEOSA-N 461.530 1.130 30 10 JDEE CCCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCS(C)(=O)=O)c2ccccc2c1=O 1709803148 AAHWAHGJDHVEBZ-HNNXBMFYSA-N 457.560 1.848 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1COc2ccccc2O1 1722316198 DFWKUHJWRCAUBQ-GHTZIAJQSA-N 489.598 1.691 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1722362671 BRYYPRBGQZTOEV-APWZRJJASA-N 477.562 1.710 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1722379890 PPLUHRXTPBBKPA-IBGZPJMESA-N 497.802 1.983 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1722430571 FMVUNLFJUBNIHY-MOPGFXCFSA-N 490.605 1.594 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)C(=O)NC)CC1 1722443758 NQVZHRDBZMIXMM-UHFFFAOYSA-N 490.406 1.774 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(=O)OCC)CC1 1722452607 VFEXHIPSIZIZMA-HNNXBMFYSA-N 472.637 1.312 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C 1722667241 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1740625091 NRZGXNDHDFTIIY-LEWJYISDSA-N 484.626 1.862 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1740693324 XDQVEBBUJKYRNI-GOSISDBHSA-N 456.978 1.849 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCS(=O)(=O)N(C)C)CC1 1740704577 SYDOFWXZVJJYJB-UHFFFAOYSA-N 479.006 1.456 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(OCCOC)CCOCC2)CC1 1740706642 YVTFFUCDFVCVHW-NRFANRHFSA-N 489.617 1.698 30 10 JDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)C[C@H]2C(=O)NCC1CC1 1740801534 CAQOCQWKZZNUTM-ZBFHGGJFSA-N 471.027 1.774 30 10 JDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1740879935 UTTDNNOKSWUDKQ-OYRHEFFESA-N 471.650 1.993 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1740962329 ZHKFGQULWFTXAP-GOSISDBHSA-N 464.574 1.704 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(NC(C)=O)c2)C1 1740971946 AQJJXNKTRBQNTH-KXBFYZLASA-N 462.576 1.676 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1740987630 KVJDRBWUPZOYCJ-KRWDZBQOSA-N 454.574 1.178 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN2CCOC[C@@H]2C1 1740994160 NHMOLLNGQZANTL-IBGZPJMESA-N 461.588 1.287 30 10 JDEE CC(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1741630681 DFSPJVSKZGWPFZ-LJQANCHMSA-N 458.588 1.694 30 10 JDEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)c(=O)n1C 1742235237 FTBKDYVLZCLHBB-DEOSSOPVSA-N 461.526 1.486 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CSCCS2)CC1 1747544697 HWFSWYWKQZQKER-IBGZPJMESA-N 471.656 1.876 30 10 JDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1748714367 HUADOVZLSPRAOG-NRFANRHFSA-N 466.590 1.597 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1748815447 QMNNRSMHLLOOLX-IEBWSBKVSA-N 457.556 1.243 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1748819324 MYWFJBHUFUOKHB-CSODHUTKSA-N 494.564 1.825 30 10 JDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C(N)=O)nc1 1748920910 UMCPZLBMPKTNOG-UHFFFAOYSA-N 452.544 1.240 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCn2cccn2)CC1 1749003282 DNKDEXTUNRYJHY-XMMPIXPASA-N 469.590 1.571 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2CCC[C@@H]21 1749103906 GSMVVKWYESLJEJ-KKUMJFAQSA-N 460.398 1.898 30 10 JDEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)COC)CC1 1749107093 PMIFOIQOVWERJA-UHFFFAOYSA-N 455.382 1.837 30 10 JDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1749198333 FNTWGJPRYAJVTF-GUDVDZBRSA-N 488.614 1.967 30 10 JDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749241781 SNBMKVCAMXNBET-OTWHNJEPSA-N 476.578 1.361 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1749650223 NXIIDWBAPOQCSR-SFHVURJKSA-N 490.511 1.996 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1749733784 CFNUCLQMRQVQOC-IAGOWNOFSA-N 485.607 1.113 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1749737194 ZDTVMCHXJPJUCH-LEWJYISDSA-N 476.599 1.863 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1749740145 QXIZJBRSZNLLMI-OAQYLSRUSA-N 479.534 1.628 30 10 JDEE Cc1nccnc1N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC1 1751815750 BRCONTFOUOUXMX-UHFFFAOYSA-N 475.557 1.678 30 10 JDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1760163214 OWZGKONNBKJXNL-QGZVFWFLSA-N 458.588 1.632 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760188098 HPTKGLWGLSYIQQ-KRWDZBQOSA-N 458.588 1.580 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@](C)(O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1760188233 NWUBAODYHUXZFE-HYFFOGBASA-N 479.002 1.970 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)CC 1760201777 JEYNBVLBUDKUNK-UHFFFAOYSA-N 452.540 1.182 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(F)(F)CC1 1760220188 XENLJVIYHMDLNV-GOSISDBHSA-N 469.558 1.899 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](CNC(C)=O)C1 1760285150 YLAPLTDBIMZDGA-QGZVFWFLSA-N 460.629 1.989 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1760522351 RNXNLTJZNNKFQP-RDJZCZTQSA-N 463.560 1.563 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1760558369 NDGWIEJUJAKEQC-XRXFAXGQSA-N 495.690 1.954 30 10 JDEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1760562662 RIOOWFSNOAYTCG-LJQANCHMSA-N 478.644 1.890 30 10 JDEE Cc1cc(NC(=O)CN2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)N(C)C)CC2)no1 1761700967 FDFVRCXPLFRWAQ-UHFFFAOYSA-N 491.556 1.352 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCC4(CC3)CNC(=O)C4)n2CC(=O)NCC(F)(F)F)c1 1770745604 APAGYKHBUKTYCP-UHFFFAOYSA-N 461.448 1.602 30 10 JDEE CS(=O)(=O)c1ccc2nc(N3CC(C(=O)N4CC(COc5cccnc5C#N)C4)C3)sc2c1 1891532110 RGTAHIFSYOAJDQ-UHFFFAOYSA-N 483.575 1.940 30 10 JDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H](COCc2ccccc2)C(=O)O)OC1(C)C 2256903761 GRFSXULSVMWORL-MRXNPFEDSA-N 467.374 1.996 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267170369 UVXKDGYKLDLADP-BYLKAPHFSA-N 466.369 1.681 30 10 JDEE CCN(C[C@@H](C)NC(=O)OC(C)(C)C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267343025 JYBIASBJPINKDD-CYBMUJFWSA-N 473.405 1.038 30 10 JDEE CC(C)N(CCNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267471047 DICTUMKPRGWYRZ-UHFFFAOYSA-N 472.417 1.643 30 10 JDEE C=C(CS(=O)(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)B1OC(C)(C)C(C)(C)O1 2267724573 MCWYDGBRHYRSFA-UHFFFAOYSA-N 473.401 1.173 30 10 JDEE CC(C)(C)OC(=O)N1CCSC[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267881227 FYWDYMWBZDURJU-AWEZNQCLSA-N 464.397 1.858 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268994759 YMJBAZVQBGOFNG-JYJNAYRXSA-N 453.320 1.273 30 10 JDEE Cn1ncc(C(=O)Nc2n[nH]c(CCNC(=O)OC(C)(C)C)n2)c1B1OC(C)(C)C(C)(C)O1 2281816347 YCWOVCREBITRKY-UHFFFAOYSA-N 461.332 1.157 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@]2(CCOC2)C1 2281926024 JLGWJKYXWMDWCQ-JLCFBVMHSA-N 462.356 1.607 30 10 JDEE CC(C)[C@@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282312921 CYVRAWFUYCPOLM-GOSISDBHSA-N 477.440 1.549 30 10 JDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2282417373 BSNUZATUSMVTNN-LBPRGKRZSA-N 497.370 1.805 30 10 JDEE C[C@H]1CN(Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282497471 QEDRSUOQMSDAFP-FXAWDEMLSA-N 474.436 1.908 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282634319 KSXCEGIYQVBUTB-UHFFFAOYSA-N 479.408 1.856 30 10 JDEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)COC1(C)C 2283055674 IPMZCRWSIBCJRY-CQSZACIVSA-N 462.356 1.878 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2283975949 WPNDAVSXDSCARQ-CQSZACIVSA-N 483.396 1.647 30 10 JDEE C=CCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 2314413908 LMBRRQPRTWSDAU-ZDUSSCGKSA-N 476.605 1.989 30 10 JDEE CN(C(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CC1(C)C 2361513823 JTYQYWBXXKDQOS-CQSZACIVSA-N 463.388 1.832 30 10 JDEE CCOC(=O)C1=C(N)n2c(sc(=Cc3ccc(O)cc3)c2=O)=C(C#N)[C@@H]1c1ccc(O)cc1 254708997 YGDAZDBNHJGUDJ-IBGZPJMESA-N 461.499 1.312 30 10 JDEE C[C@@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1c(O)cc3c(c1C2=O)[C@H]1C[C@H](N(C)C)[C@H](O)[C@@]3(C)O1 257460418 JZGRDBGLULKCDD-IHPNEJJYSA-N 455.463 1.152 30 10 JDEE biogenic COC[C@@]1(C(=O)O)CN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)CCO1 757487630 UQQSXSYPOPWEPC-AREMUKBSSA-N 478.501 1.857 30 10 JDEE CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1cccc(COc2ccccc2C#N)c1 1139111271 FTWSBPDDEJLFFD-FQEVSTJZSA-N 451.479 1.658 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1286381972 PXOFJXDPDITUDO-CTNGQTDRSA-N 492.690 1.944 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1ccsc1)[C@H]1CCS(=O)(=O)C1 1286383502 XAAYIGLAMJGJFC-KRWDZBQOSA-N 470.580 1.856 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC(F)F)c(F)c2)CC1 1286490970 ZASTWSUPRLVJDF-QGZVFWFLSA-N 490.486 1.984 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)N1CCOCC1 1286565285 CQHNQAKBAIFUDO-UHFFFAOYSA-N 476.603 1.457 30 10 JDEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2cncn2)CC1)S(C)(=O)=O 1295805707 HEQPDKRARKEFMZ-UHFFFAOYSA-N 497.629 1.996 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)C)C1 1296328947 GTZYREWKXXQCGE-GOSISDBHSA-N 459.576 1.249 30 10 JDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(N(C)C)CCSC2)CC1=O 1298891873 DSYALOQVNIXZTF-QFIPXVFZSA-N 455.588 1.444 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCCn2cc(CO)nn2)c1 1300330526 BWJUIJLFLUUZEJ-UHFFFAOYSA-N 450.547 1.806 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1300487511 KIBSRGYAFNKGIA-IIBYNOLFSA-N 463.991 1.292 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300490975 DCRMDOKXNOXQMG-MOPGFXCFSA-N 471.631 1.872 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC1CCCC1)[C@H]1CCS(=O)(=O)C1 1300495467 HZGUMTDDTGXGLR-MOPGFXCFSA-N 468.645 1.777 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1300537640 HTXTVGTZWMSKKM-GOTSBHOMSA-N 481.622 1.635 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1300708033 MATCPCZQFWRMKD-FQEVSTJZSA-N 457.600 1.664 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccccc2C)CC1 1300724687 BVCGRONVRDHGNP-HXUWFJFHSA-N 485.610 1.533 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2csc(COC)n2)CC1 1300725500 HNPZQBIUFQYYCA-QGZVFWFLSA-N 458.588 1.789 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1300763690 QZTCYQOMDFZSPI-GOSISDBHSA-N 475.644 1.280 30 10 JDEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1301045001 PBOQUFQTXRTLKS-DLBZAZTESA-N 484.985 1.680 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1301520451 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452.357 1.311 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](NC(=O)CC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359306021 SZPWOQHEFRANNC-OKZBNKHCSA-N 489.621 1.846 30 10 JDEE C=CCOc1ccc(Cn2c(N3CCN(S(C)(=O)=O)CC3)nnc2[C@]2(OCC)CCOC2)cc1 1359308828 ZVKACYUOYBWASC-QHCPKHFHSA-N 491.614 1.625 30 10 JDEE C#CCCNC(=O)CCCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1435138920 KJSPKYGPLHLSEG-UHFFFAOYSA-N 455.964 1.491 30 10 JDEE C=CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 1455922791 AFNUJDVQKFLKPL-UHFFFAOYSA-N 450.557 1.788 30 10 JDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1470202097 XCAIEEKORYYABB-HCXYKTFWSA-N 463.579 1.907 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)CCc2nc(O)c3cnn(-c4ccccc4)c3n2)n1 1472555637 PGSMCVKWFYMXEP-UHFFFAOYSA-N 459.510 1.959 30 10 JDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)C[C@@H](C)O1 1504711682 GOVRVXRGOMKRJJ-QIJUGHKUSA-N 454.575 1.904 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCN1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1507622104 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C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1539231318 UXKJIVFJSYEIAF-LJQANCHMSA-N 453.572 1.518 30 10 JDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c2c(c1)OCCO2 1539396756 QIPODIYFAOKZDX-AWEZNQCLSA-N 483.978 1.447 30 10 JDEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1539423057 QTXAWXCLAFDTHY-UHFFFAOYSA-N 466.535 1.022 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN(C)Cc2ccccc2)CC1 1539477548 QIEWWFKZMXDRAV-QFIPXVFZSA-N 477.613 1.717 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1539517900 TUZZRTHVWGNGPX-QGZVFWFLSA-N 494.712 1.888 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1540004833 GYJYPBZACKEXPA-OAHLLOKOSA-N 465.605 1.853 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1540868396 CSXSJRSLNVWBAX-OAHLLOKOSA-N 483.964 1.884 30 10 JDEE C=CCNC(=O)Cn1c(N2CCCN(C(=O)CC3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1540876471 SINRPTYAWPOTRN-VWLOTQADSA-N 488.633 1.851 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1540897177 CJEMKRHRSJSCHP-UHFFFAOYSA-N 490.630 1.742 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCOCC1 1554164912 BSGBOBHUKCWBRH-NRFANRHFSA-N 488.614 1.936 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(=O)N(CC)CC)cc1 1587561794 IRDGPLCWSUTRCV-DLBZAZTESA-N 460.604 1.877 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1587706804 SWOBBRGGRWOXMF-IBGZPJMESA-N 472.615 1.963 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1588034838 MIKUCSUOXYHUQZ-CVCYQNGTSA-N 491.595 1.781 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1588051102 ZPPNWLQGQNZGMD-VQTJNVASSA-N 459.620 1.570 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1588069222 JRGMYVBNIRWXOC-RTBURBONSA-N 471.583 1.379 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1588069226 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C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1705907047 YLXVPTLKJCPNBQ-INIZCTEOSA-N 489.374 1.733 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1705929963 BMTJBCZPZUQCRC-UHFFFAOYSA-N 451.515 1.897 30 10 JDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)cn2)C1 1706933537 HGYXCMDRNOEPBF-XLIONFOSSA-N 463.539 1.323 30 10 JDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722318841 SLZBDHCZCKNILA-SFHVURJKSA-N 450.551 1.475 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722363049 YQDMNCBOBPUNSO-QGZVFWFLSA-N 455.540 1.965 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCCN1CCC[C@@H]1C(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722368981 XMFDNBIZHJQHSQ-WOJBJXKFSA-N 478.663 1.046 30 10 JDEE C#CCN(c1nnc(COCC)n1CCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722370277 MUXZZQKBXWPZEK-INIZCTEOSA-N 455.581 1.356 30 10 JDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCOC1=O 1722405941 SIHJCSFSVPMCMK-UHFFFAOYSA-N 459.576 1.848 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)N1CCOCC1 1722418170 IALGMQVAAAVBEK-VWLOTQADSA-N 485.560 1.956 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCSCC1 1722426733 MTDBGXVLWUUAEE-LJQANCHMSA-N 494.662 1.721 30 10 JDEE C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 1722702875 PYUPIQBHGADMIZ-UHFFFAOYSA-N 452.559 1.942 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](CCC)C1 1722750747 OBIIQJODBLGGTI-SFHVURJKSA-N 482.628 1.955 30 10 JDEE CC(C)NC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1723627136 FUFSDVFLWDQYFZ-UHFFFAOYSA-N 466.590 1.525 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCN(C)C(C)(C)C1 1723928351 GWLKLQIZDKZBAI-QGZVFWFLSA-N 466.656 1.044 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1740615836 MBGUWTNFBICDAB-OAHLLOKOSA-N 450.590 1.328 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1740623856 BWSWBZDDZFTMEA-OAQYLSRUSA-N 452.584 1.895 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2Cc2nncn2C)CC1 1740692846 OTUFSXHYFHBLBC-UHFFFAOYSA-N 450.547 1.675 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1740751274 IKEMFVLROPGYBP-YZIUBNRHSA-N 493.634 1.355 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cnn(CC)c2)CC1 1740782147 DYCYGMYAVJDEMN-LJQANCHMSA-N 463.608 1.788 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nccc(C(F)F)n2)CC1 1740840393 XYOCCNQINVGHSQ-MRXNPFEDSA-N 483.545 1.789 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)nc1)C1CC1 1740910173 KYPAZVVQLBPGIU-SFHVURJKSA-N 461.592 1.275 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740955954 JLSOEOWOWSEYPJ-KNQAVFIVSA-N 495.628 1.635 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCOC(C)(C)C1 1740989812 ACONJAWWUYEIKT-UHFFFAOYSA-N 486.598 1.891 30 10 JDEE C[C@@H](CN1CCOCC1)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1741874765 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C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1749651409 VDNXKIZIWOPELA-BXWFABGCSA-N 476.603 1.787 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCNC(=O)CC1 1749730903 UZUTURQRQXSTOC-UHFFFAOYSA-N 455.544 1.058 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1749738422 MNIVGYVVHRRGJQ-IBGZPJMESA-N 490.634 1.126 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)OC3(CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749740237 SMSIAXXZULMXQS-WMZHIEFXSA-N 498.646 1.694 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1749830268 IBOYXTSLADCKLL-FQEVSTJZSA-N 467.574 1.497 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760180662 IYDSWSDBMQMRGZ-QPPBQGQZSA-N 493.674 1.821 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCc1ccccc1 1760206447 ZORDYZRAXHOPPF-OAQYLSRUSA-N 455.584 1.707 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCOCC1(C)C 1760206583 FGONMXVLSUVTPL-UHFFFAOYSA-N 489.668 1.826 30 10 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C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1286395855 OOPYBKSGUYXSGL-IBGZPJMESA-N 494.639 1.535 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2CCN(C(=O)OC)CC2)CC1 1286485370 JFGMLNJGDWPCET-PMACEKPBSA-N 460.579 1.236 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 1286601720 XOTJERUBMAIIOB-NLWGTHIKSA-N 466.652 1.934 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286672023 FGWUHAGMVVYJEB-RTBURBONSA-N 478.663 1.525 30 10 JDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncc(F)cn2)CC1 1286706348 NFJVFEYUOWDFDI-UHFFFAOYSA-N 467.509 1.774 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1286744114 ARMFLQSDJOLZBG-LAUBAEHRSA-N 450.536 1.663 30 10 JDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1286771130 YGXUNCLXRWHMIX-OAHLLOKOSA-N 450.540 1.105 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1286790401 RBFYYIRYFFNWFK-UHFFFAOYSA-N 480.598 1.362 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1286790499 SSLUASJLXZWKJZ-UHFFFAOYSA-N 479.610 1.993 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1286848472 PIQVQYCRLCQBOX-JHGXHUTESA-N 481.532 1.915 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC(F)(F)F 1286960321 DNNGJNPHIDOQLG-GFCCVEGCSA-N 458.466 1.623 30 10 JDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)CC2CC2)cc1 1300125273 DJPSRBPOTQQDPB-FQEVSTJZSA-N 459.572 1.625 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2nsnc2c1 1300308425 OUFVZOLSZFVJLQ-CXAGYDPISA-N 461.573 1.122 30 10 JDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1300408348 JAOLDRUNQJCBTG-FQEVSTJZSA-N 455.607 1.556 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1300483351 KVYYJKZVYAJUBS-VWNVYAMZSA-N 450.605 1.993 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1300498154 HTFPNABUHOGQIU-HXUWFJFHSA-N 481.578 1.956 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)N(C)C 1300626026 MRRHVLRJGLXJEN-QGZVFWFLSA-N 468.624 1.744 30 10 JDEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCCS(C)(=O)=O)CC1 1301087034 SCJAUDTXXADFRR-GOSISDBHSA-N 499.634 1.804 30 10 JDEE C=CC1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCS(=O)(=O)NC)CC1 1301120288 MVZJFTHLPVYDCJ-UHFFFAOYSA-N 471.587 1.627 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1301491326 PPYONMITEJHESG-HNNXBMFYSA-N 457.560 1.431 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H]1c1nncn1C 1301493425 YEDYWAHVIJWXKA-QGZVFWFLSA-N 452.519 1.735 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1301500937 RHYZBSBITUJAEM-MRXNPFEDSA-N 469.546 1.016 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1301501255 UJEJYFBWGDUBCA-INIZCTEOSA-N 494.017 1.624 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(N3CCOCC3)n2)C1 1301536417 VZJSZIQQHJYCTF-LJQANCHMSA-N 455.563 1.478 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1301566173 LDMZQMFKOYXSPE-HXUWFJFHSA-N 485.614 1.877 30 10 JDEE CC[C@H](C)[C@@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)NCCN1CCOCC1 1356422853 DFOLKODQGWNRCM-LQBOVUBWSA-N 459.566 1.503 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(N2CCOCC2)CCSC1 1358870017 COGAVPMTJRANHW-JTSKRJEESA-N 455.588 1.591 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1358958179 JCMXAQRTGJGBJD-WZONZLPQSA-N 490.582 1.395 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](N1CCOCC1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358967655 PGLIMMXPTJAJLK-ZACQAIPSSA-N 491.536 1.019 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCN2CC)CC1 1359042056 PVKHMXCBVNKBCN-OFVILXPXSA-N 472.634 1.769 30 10 JDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1359059732 YBPIDEXYTKEKFV-MRXNPFEDSA-N 456.601 1.829 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1CC 1359070361 LDCGSBJSAYRHHV-DBXWQHBBSA-N 450.609 1.087 30 10 JDEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1359225968 RPTKHNRBQCRRPX-HXUWFJFHSA-N 490.630 1.872 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1359280904 IRXIHLURAMAOSR-IEBWSBKVSA-N 455.563 1.536 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1359295153 RNXLGSIKNZWEOD-UHFFFAOYSA-N 464.574 1.109 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1359299320 BPPJGKNIJZXENO-OAQYLSRUSA-N 487.649 1.593 30 10 JDEE C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCNC(=O)CC1 1359303626 VPQWNQUZUQQFLW-UHFFFAOYSA-N 460.966 1.880 30 10 JDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)OCC)c1 1473202077 ZKBGBESLRGLUDA-SFHVURJKSA-N 458.515 1.800 30 10 JDEE C=CCCC[C@@H](C)NC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1478296668 RYPORZCYEPINMI-GOSISDBHSA-N 451.593 1.679 30 10 JDEE CCOc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1CC1(O)CCS(=O)(=O)CC1 1502914272 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C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1508074106 QCZQOLVFONQFAV-UHFFFAOYSA-N 455.563 1.886 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1508084055 GGXXGKOAQJMAPK-UHFFFAOYSA-N 465.587 1.473 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(CC(F)(F)F)[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1508098712 QXIOYEYSXSUCOI-UZLBHIALSA-N 474.528 1.694 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@@H](C)C1 1508129262 AZFLYLLUUIHMRI-JKSUJKDBSA-N 483.616 1.277 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCOC(C)(C)C1 1508139860 KIPCJTHNQRQSER-UHFFFAOYSA-N 458.544 1.810 30 10 JDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@H](C(F)(F)F)O1 1512402630 BEQVEEBBNNADFF-IUODEOHRSA-N 458.466 1.522 30 10 JDEE CN(C)c1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)cn1 1517003103 FLJVTUKXVGKFRJ-LJQANCHMSA-N 488.618 1.250 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1cccc(C(F)(F)F)n1 1538975134 XZUYHKPFCACCQE-QWHCGFSZSA-N 460.482 1.839 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(OC)c1OC 1539014111 KZLZKHIBBQSVBS-YJBOKZPZSA-N 493.586 1.143 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1539210843 GUFOLHDOSUOIRE-QGZVFWFLSA-N 450.586 1.315 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O)[C@H]1CCS(=O)(=O)C1 1539211296 GXDCZTBYAGIYHF-QUCCMNQESA-N 499.568 1.957 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 1539220683 UUURRRGPFBKMLG-DVSFIDLUSA-N 474.587 1.020 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1539416003 JUEMBHVNWYFMPJ-GBESFXJTSA-N 467.636 1.154 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(CN3CCCCC3)cc2)CC1 1539430886 NIOYJLPLAZQDTN-OAQYLSRUSA-N 499.685 1.678 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)N(CC)CC)CC1 1539467605 XAMZAAHJIQBXJG-GOSISDBHSA-N 466.590 1.622 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1539469887 HLVQFOPLMHKWMI-GOSISDBHSA-N 474.587 1.236 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCOC[C@@H]2CCCO2)CC1 1539482348 SRPNRWIZMLJOOI-SFTDATJTSA-N 459.591 1.724 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1539599286 CNSXIWFEZVOVKL-IAGOWNOFSA-N 499.435 1.808 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCS(=O)(=O)C1 1540129734 XZHXYKUZIIQLQT-HSZRJFAPSA-N 484.582 1.014 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2CCN(Cc3ccccc3)[C@@H]21 1540862252 WMVISNPBOCAMJR-WMZHIEFXSA-N 451.575 1.777 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(CC(=O)N(C)C)CC1 1540864700 IROFOOWWGXHALS-UHFFFAOYSA-N 485.658 1.788 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1540864841 MNBJAHRCRCUUKN-UHFFFAOYSA-N 455.519 1.850 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1540916434 BHDNIOPFBLJZHV-QKLQHJQFSA-N 456.634 1.874 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1ccn(C)n1 1541799375 DPESYQBZTYWGTN-INIZCTEOSA-N 456.576 1.910 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(O)CCC1 1545920856 BGOJUXDAVWRYCQ-MRXNPFEDSA-N 467.578 1.488 30 10 JDEE CCc1cnc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)s1 1546335647 CVKBDKZXJILNRX-LJQANCHMSA-N 481.582 1.942 30 10 JDEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)CC1 1547244352 BCJYUHRTQJZDOH-UHFFFAOYSA-N 481.601 1.946 30 10 JDEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)CC1 1547776408 FQOXIBOCMCLZMP-UHFFFAOYSA-N 477.573 1.979 30 10 JDEE COCCNC(=O)[C@@H]1CN(S(=O)(=O)c2cccnc2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367989 DCNMLBBFLMBMDK-IBGZPJMESA-N 497.499 1.614 30 10 JDEE COC[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1555231128 HACAEQICBSJLIJ-LJQANCHMSA-N 451.575 1.844 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCN2CCSCC2)cc1 1555988556 GVJQUUBUDVQURB-UHFFFAOYSA-N 455.588 1.336 30 10 JDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 1561407109 VMYGDMRYFBBPDA-UHFFFAOYSA-N 459.567 1.642 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Br)ccc2OC(C)C)CC1 1562523582 QNEPGSJPAKIXAH-UHFFFAOYSA-N 459.366 1.853 30 10 JDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1587783768 XFTPMRPYOMBUGI-SFHVURJKSA-N 470.599 1.901 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1588024767 LBKFMPVFRVGGDS-HXUWFJFHSA-N 485.610 1.782 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCCN1CCCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588059543 PZUGAGSLLHBELA-WOJBJXKFSA-N 451.637 1.604 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1588673647 VXNKGDMCGFRTAG-GOSISDBHSA-N 470.599 1.718 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCOC(C)(C)C2)CC1 1588884626 HQFRAYXBNDZONP-UHFFFAOYSA-N 494.600 1.002 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1589493716 INJLFLKLMNTAQH-CGXNFDGLSA-N 477.606 1.811 30 10 JDEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1594645378 LFKDAIKZMMDLBG-UHFFFAOYSA-N 458.607 1.875 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1594733000 KXFCXMCAWRQIHD-SFHVURJKSA-N 452.625 1.137 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1594788900 VKQRJAPZVZUCCT-SFHVURJKSA-N 460.560 1.517 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1595476137 IGPQFXRJOLPQFG-ZBFHGGJFSA-N 459.938 1.588 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1595556082 NDSMXMHRKSCJQQ-IBGZPJMESA-N 454.575 1.921 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C(=O)OC)cc(S(C)(=O)=O)c2)c1 1596153868 WBSVXPHAGORDDU-UHFFFAOYSA-N 450.494 1.041 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCN(Cc2ccccc2)CC1 1596830609 CRWINVMAOHAVLM-UNMCSNQZSA-N 485.658 1.594 30 10 JDEE CS(=O)(=O)NCCn1c(C2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1620177462 FGGPPYGDIFSYAZ-UHFFFAOYSA-N 461.567 1.822 30 10 JDEE C#CCN1CCN(C(=O)CS[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 1635016874 NKSWZAQSOPRUSO-SFHVURJKSA-N 455.584 1.322 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)c(Cl)c1 1655918572 CYNSAMNLKIKRFU-UHFFFAOYSA-N 454.961 1.553 30 10 JDEE C=CCN1CCC(NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)CC1 1657715563 LGGBBZNLUQBMBV-UHFFFAOYSA-N 452.577 1.878 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCC[C@H](C)C1 1689853044 OHIYHUJGVAZKBD-OKYOBFRVSA-N 452.625 1.189 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2nnc(C)s2)c1 1689872115 OSPWICBRPYCXOU-QGZVFWFLSA-N 499.622 1.639 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(OCC(N)=O)c1 1689966386 QMOPOXYRUFGDIT-IBGZPJMESA-N 484.557 1.568 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1689978553 YGGBTZHYKMAZIM-IBGZPJMESA-N 473.599 1.684 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1689985755 ATKAJJFXMUJPQX-TZIWHRDSSA-N 455.584 1.830 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CC)CCCC1)[C@H]1CCS(=O)(=O)C1 1689989731 IBXYZTHPNRKJEX-MSOLQXFVSA-N 468.645 1.777 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689996015 CBSKONJCLKYRNR-IAGOWNOFSA-N 451.618 1.806 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1(C)C 1690019079 AIMCLUDRMFBQPO-DLBZAZTESA-N 451.618 1.216 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1N1CCOCC1 1690033364 WARVLRJPLIBREV-LJQANCHMSA-N 470.599 1.236 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1690076845 CAYMPUTWOWEJAP-UFYCRDLUSA-N 480.679 1.827 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)CN(C2CC2)C1=O 1690088676 SRKAFWWUUBQVLA-HJPURHCSSA-N 488.589 1.678 30 10 JDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1690129080 ORXHCDGFJCXKEQ-HXUWFJFHSA-N 459.545 1.375 30 10 JDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCS(=O)(=O)c2ccccc2)CC1 1690129506 ZHRPGSNKPKMDRC-UHFFFAOYSA-N 470.624 1.863 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1690190454 VLVKKBQIJZSJQT-NHCICSSKSA-N 486.642 1.781 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCCS1(=O)=O 1690259368 GYNJGVIHOGODPG-UHFFFAOYSA-N 457.564 1.359 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1690265450 PAZHQIZQULSQCL-ZVVDCOBXSA-N 467.636 1.955 30 10 JDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1690313528 WMNSRCZNIUQJCB-UXHICEINSA-N 460.623 1.944 30 10 JDEE C=CC[C@@H](Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)c1ccccc1 1690442413 RUFLZQIIDXIDAM-PZJWPPBQSA-N 493.612 1.703 30 10 JDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)NCC(F)(F)F 1690531345 JJIPILPABVXZFB-UHFFFAOYSA-N 465.524 1.944 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1690619963 KJQBRWOTBPUXTO-UHFFFAOYSA-N 465.436 1.911 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1690632601 FGUMLEMTGIYKMQ-QFIPXVFZSA-N 471.587 1.867 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1690644641 YNBOYNUQZCOHOJ-APWZRJJASA-N 464.567 1.651 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cn3ccsc3n2)C1 1690687102 YQQUVZSAEUFHGO-HIFRSBDPSA-N 451.578 1.427 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690725440 PUJUMXUPJCYSNR-INIZCTEOSA-N 456.565 1.232 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(C(N)=O)CCOCC1 1691003388 GQSHPOWUNRRKIP-QGZVFWFLSA-N 467.578 1.330 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCOCCCC)[C@@H]1CCS(=O)(=O)C1 1705565604 IDRRJIONZZIHBV-MRXNPFEDSA-N 463.560 1.449 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccn(-c2ccc(F)cc2)n1 1705604883 WBHJQEVRBKUBQF-MRXNPFEDSA-N 459.551 1.915 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CC(=O)NCC(F)F)CC1 1705636967 DMSXEWMOTDKCSN-UHFFFAOYSA-N 467.318 1.844 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCCN2CCOCC2)CC1 1705650589 UTUWPVDEWWATNR-UHFFFAOYSA-N 465.602 1.342 30 10 JDEE C=C(Br)Cn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1705692141 AOVCBQLLFOATPS-KXBFYZLASA-N 469.384 1.783 30 10 JDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1705753129 RDDORWBJKFGZQG-UHFFFAOYSA-N 463.970 1.749 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1705805625 KWNJFIOFZKJITK-MSOLQXFVSA-N 468.624 1.462 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)OC 1705860358 HRSGCTVKSOJVDI-XLIONFOSSA-N 474.587 1.710 30 10 JDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1705892177 HXBIHKBSQWGUAP-UHFFFAOYSA-N 451.556 1.881 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705897339 KYDGFKLPBUUVEY-HOTGVXAUSA-N 497.021 1.844 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705898191 DLQHBVOFZQGRRZ-IBGZPJMESA-N 467.530 1.023 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1705901219 FJEYYIWFBYUYHQ-KRWDZBQOSA-N 475.594 1.757 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1705928789 USVNJOWQGBNEFD-NRFANRHFSA-N 486.642 1.826 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C(N)=O)nc2)C1 1705929217 LNLYSGOXFATXTQ-INIZCTEOSA-N 467.555 1.593 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(C)=O)CC1 1705930008 CWCFWWZMVFVSTP-MRXNPFEDSA-N 465.551 1.827 30 10 JDEE CCNC(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)c1 1710326768 FCTJGLDANZZKLE-LAUBAEHRSA-N 460.535 1.420 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1722318340 CDCNSPBTLPPWFR-KSEOMHKRSA-N 490.674 1.363 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC2(C(N)=O)CCCC2)CC1 1722449452 JMONEJJTBJSWJF-UHFFFAOYSA-N 478.597 1.911 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1722730224 MBUOYKIFRCVQPU-IERDGZPVSA-N 495.627 1.255 30 10 JDEE CC(=O)N1CCCN(c2nnc(-c3ccccc3C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1722771525 YXGKGTBSOKTGFG-XTQSDGFTSA-N 463.542 1.839 30 10 JDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1730401790 HWNSEEJDXUUKAQ-HSALFYBXSA-N 459.572 1.882 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1740619798 LDXWVRPHRKIGAB-MBSDFSHPSA-N 474.583 1.750 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1740627731 KDTXSSDYIMLXIQ-GOSISDBHSA-N 474.974 1.919 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740627741 SCPXMXIKYUYCNF-KBPBESRZSA-N 468.523 1.149 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1740656232 JABPXYCPDGZOIO-DHIUTWEWSA-N 481.622 1.258 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCS(=O)(=O)N(C)C)CC1 1740691164 WGPFGPFUBFQFOM-QGZVFWFLSA-N 481.022 1.718 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCn2cnc3ccccc32)CC1 1740701158 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C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1748717659 FNNZJRANGIVPRP-RBUKOAKNSA-N 465.620 1.546 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1748734307 BBGPRXZGFRSNNJ-KRWDZBQOSA-N 474.587 1.886 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1748815451 QMNNRSMHLLOOLX-PKOBYXMFSA-N 457.556 1.243 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCN1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 1748818781 GIMUWTRYBBQGCB-OAQYLSRUSA-N 489.617 1.482 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1748847163 OZXOSEKYZBOWOU-REWPJTCUSA-N 481.622 1.522 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccc(Cl)cc1 1748858245 NMCIWKNFZGQTSE-VQTJNVASSA-N 492.001 1.725 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(OC)CCOC1 1748858315 OVIXKFYLPNXLLE-FDDCHVKYSA-N 459.547 1.465 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@]2(OC)CCOC2)CC1 1748977965 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C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(O)CCN(C(C)C)CC2)C1 1286804432 NGPKFVUTZWDBST-RDPSFJRHSA-N 463.623 1.947 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1286817121 PQWJAWHHJBZOJG-INIZCTEOSA-N 454.556 1.761 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC2(CCC2)C[C@H]1CC 1286819937 ADKXHXUJUYXYDM-DLBZAZTESA-N 456.634 1.940 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1286821112 ALYAKFFZZXQGNA-FQEVSTJZSA-N 474.562 1.920 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(CCC)C(=O)C1 1286822878 IVEUONFZHAJZLI-UHFFFAOYSA-N 463.608 1.189 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1286824563 FFZRVOGIZCRWAT-LJQANCHMSA-N 474.587 1.156 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](c1cccs1)N1CCOCC1 1288167959 HHEDAJQTZANZEZ-SJORKVTESA-N 459.576 1.280 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)CN1CCN(CC)CC1 1300287015 RYPVWPIHBHLUPD-UXHICEINSA-N 462.606 1.652 30 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JDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1359189059 ZRQGXGIJPKBVGQ-MOPGFXCFSA-N 480.679 1.819 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSCCS1 1359282173 SPLKGBRZHOLOHE-HOTGVXAUSA-N 477.678 1.098 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359294061 IZLMHORYBODALV-ZDUSSCGKSA-N 486.367 1.772 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1359296080 WFLMOFGZFGLJEP-UHFFFAOYSA-N 489.983 1.784 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359305253 XKQTZVCPNNMEOF-QGZVFWFLSA-N 455.588 1.737 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1359327903 NORRDQYQTVIBLI-OPAMFIHVSA-N 477.562 1.874 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](OC)C1 1359330983 JHTMWUGRUBCFLO-KRWDZBQOSA-N 486.598 1.891 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](OC)C(C)(C)C1 1359333509 ZWSDVOXVXLHWBC-LJQANCHMSA-N 489.646 1.914 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCCCO2)n1CCCC(=O)N(C)C 1494135546 FCBIGFILYPZDAK-HKUYNNGSSA-N 467.578 1.765 30 10 JDEE CCCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)C(=O)NCC)c2ccccc2c1=O 1501078625 HZSCFWBISHHEAG-QGZVFWFLSA-N 492.584 1.956 30 10 JDEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cscn2)CC1 1505143996 HDDSKJFROYMMBG-UHFFFAOYSA-N 457.585 1.640 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1cccc(C#C)c1 1507564834 XQBCXWKDHZCJQQ-OAQYLSRUSA-N 498.609 1.471 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CCCN1CCC[C@H]1C(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507623664 VHQBWIQHZXWCBT-MOPGFXCFSA-N 478.663 1.145 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1ccnc1 1507660507 VZFLPQZUEUJBJZ-SFHVURJKSA-N 451.556 1.585 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1N1CCOCC1 1507701825 BIUBCWILLWQJLH-UHFFFAOYSA-N 466.586 1.793 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2Cc2cnn(C)c2C)n1 1507714747 VBRAHVVIKQQYAS-UHFFFAOYSA-N 465.562 1.087 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN2CCOC2=O)CC1 1507735505 BCTMVYFKVVXLFT-XMMPIXPASA-N 488.589 1.127 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cc2)CC1 1507739160 NSAMLCHSDYKLKZ-SFHVURJKSA-N 459.547 1.333 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCS(=O)(=O)CC1 1507839580 TVCHSSYPNWZLTN-UHFFFAOYSA-N 483.616 1.023 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ncccc2F)CC1 1508071052 AKPIDXGLDQMLPA-UHFFFAOYSA-N 499.572 1.512 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1508084927 DITAPIRXLVJKBT-DLBZAZTESA-N 453.547 1.255 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@]3(CNC(=O)C3)C2)cc1 1508097748 TUBAWTCRBUHKDX-OPAMFIHVSA-N 474.587 1.218 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)C1 1508109706 NFQQENVJBTXVNG-GBESFXJTSA-N 474.585 1.544 30 10 JDEE C=CCSCCn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1508168006 MIDNYRVPILFWOX-XMSQKQJNSA-N 465.620 1.677 30 10 JDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)c1ccco1 1513978016 FDDWNVWXGRTRLH-MBSDFSHPSA-N 450.499 1.944 30 10 JDEE CCCN1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CCOC)C(=O)C2)C1 1514861076 FXWOORPIZIZHMR-HXUWFJFHSA-N 451.575 1.844 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN(CC)S(C)(=O)=O 1538982101 BLYWGFKUPDRCNE-MRXNPFEDSA-N 467.617 1.478 30 10 JDEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1539095315 CCBFBMSCZHVWKH-UHFFFAOYSA-N 474.407 1.860 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccnc(-n2cccn2)c1 1539154670 MARDAVOUXKLHCZ-UHFFFAOYSA-N 476.566 1.894 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1539206490 QCIVQPWZZYDLQF-XXBNENTESA-N 489.598 1.397 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O)[C@@H]1CCS(=O)(=O)C1 1539211297 GXDCZTBYAGIYHF-UYAOXDASSA-N 499.568 1.957 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1539211432 LONMRLIZQRYNGE-MSOLQXFVSA-N 460.556 1.386 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1539225340 NBIZXAOWPGOVBF-QUCCMNQESA-N 485.610 1.419 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(Cl)c(OC)c2)CC1 1539446593 GUHPKISDOAWRQG-SFHVURJKSA-N 478.018 1.840 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2conc2COC)CC1 1539489261 SXKLSPROFHTTJH-UHFFFAOYSA-N 466.546 1.288 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1540869871 ZIKXVXMQVVFQRB-KRWDZBQOSA-N 460.485 1.857 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1540905274 SMCLQDORSPSMJQ-CPUCHLNUSA-N 497.470 1.801 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](N3CCCC3=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1540908547 IXJVORBFZKHCQR-AVRDEDQJSA-N 481.619 1.121 30 10 JDEE C#CCOc1cc(F)ccc1NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1545088768 URBFGSPKJIBSFM-UHFFFAOYSA-N 459.499 1.943 30 10 JDEE C#CCn1ccc(CN(CC)C(=O)CCc2nc3cc(S(N)(=O)=O)ccc3n2CCC)n1 1558974541 PWQFYYBGCYQSIR-UHFFFAOYSA-N 456.572 1.905 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1588029376 HBLYCAPSUAZLOH-TZIWHRDSSA-N 492.690 1.944 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1oc(CCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1588034047 APEUZOFPYBSSNQ-JPYJTQIMSA-N 491.614 1.854 30 10 JDEE C#CCN1CCN(c2nnc(C3CCCC3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1588813744 ZRBKCSUPZSPSOO-UHFFFAOYSA-N 456.616 1.990 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC=CCO2)CC1 1588898927 HYXRBKYUZUDWBQ-FQEVSTJZSA-N 483.594 1.660 30 10 JDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1593775687 CCAWXOSCUVSCKC-ZCNNSNEGSA-N 483.635 1.599 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO1 1595116500 SEJMOJYAXURVDX-VQTJNVASSA-N 461.588 1.983 30 10 JDEE C=CCn1c(COc2ccccc2OC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1595446950 BDTGCKGVOIFIGS-UHFFFAOYSA-N 474.543 1.692 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1595577221 LUEXKEKASWDAMS-INIZCTEOSA-N 453.952 1.436 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1595640159 TYGKFWKWUHYELO-IBGZPJMESA-N 488.614 1.645 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCN(C)C2)C1 1595755239 UGRUWWMTZBJXTQ-NRAIQUKZSA-N 476.622 1.897 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C)C1 1595766801 XPXBZAADUSKMDX-OAHLLOKOSA-N 466.633 1.994 30 10 JDEE C=CCN(C(=O)c1cc(Br)cc(S(N)(=O)=O)c1C)[C@@H]1CCS(=O)(=O)C1 1625389521 HUMHPJXCHUAMCL-GFCCVEGCSA-N 451.364 1.220 30 10 JDEE C=CC1(CC(=O)N2CCN(c3nnc(C)c(C)c3C(N)=O)CC2)CN(C(=O)OC(C)(C)C)C1 1628550389 VJWPOXKTRDLUEW-UHFFFAOYSA-N 458.563 1.654 30 10 JDEE C[C@H](C(=O)N1CCCC1)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1642020305 FICTVJYNUKYSQY-UXHICEINSA-N 458.632 1.085 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)c1 1644272436 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C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1705572333 XZPXSYWUTHJTCS-SRHPJPHMSA-N 494.658 1.875 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@@]1(O)CCN(C)C1 1705623233 KRQHXOXETKCODY-GOSISDBHSA-N 454.394 1.922 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN2CCCO[C@@H](C)C2)CC1 1705634933 MWLBQNWGVQVXGW-WIOPSUGQSA-N 474.650 1.575 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC2CCN(CCN(C)C)CC2)CC1 1705649989 JCTRJHUBUNNOAM-UHFFFAOYSA-N 455.651 1.470 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1705652886 QQEVYNMGGMMTCS-INIZCTEOSA-N 459.576 1.965 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1705664033 IFSZYUSQFWGDSJ-UHFFFAOYSA-N 484.630 1.591 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NCCOC)CC1 1705694799 TWGALZSWDOZGGM-MOPGFXCFSA-N 462.595 1.377 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)NCCC)CC1 1705791881 GVURRBXIKURFCW-IBGZPJMESA-N 496.678 1.956 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC1CCOCC1 1705900536 HDHZFSYALQGATC-UHFFFAOYSA-N 461.592 1.403 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1705903222 RIXVQGBARLCVPC-CTNGQTDRSA-N 467.574 1.171 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2ncccn2)CC1 1705906657 LRGZXZUMHGETRX-UHFFFAOYSA-N 462.558 1.893 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1705906755 NRKSGPQNSLPPQW-WOJBJXKFSA-N 457.531 1.552 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(CCOC)CC2)cc1 1705911456 IOEFLELBAIJQQK-FQEVSTJZSA-N 475.615 1.562 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)N(C)C 1711073663 CGHRERFVFSBORV-UHFFFAOYSA-N 487.611 1.669 30 10 JDEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(F)(F)CNC(=O)OC(C)(C)C)cn1 1711251208 ANUJWNVSSVUHPJ-AWEZNQCLSA-N 452.466 1.567 30 10 JDEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2sccc2C1 1712713663 GFDMWJFTFJLUHY-UHFFFAOYSA-N 458.569 1.902 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1722365154 KZSIENOPNPWABF-CVEARBPZSA-N 456.540 1.981 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ncn(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 1722370782 QKQBSKGSSHKQAZ-SFHVURJKSA-N 455.544 1.070 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1722371793 LPQALYZFJKVXRO-NPPFBWRTSA-N 463.604 1.375 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCCCS(C)(=O)=O)CC1 1722433776 GALNTSNUCCIOIW-UHFFFAOYSA-N 493.655 1.319 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCC(=O)N2CCOCC2)CC1 1722441152 HSOWGPQZLOCNHO-UHFFFAOYSA-N 456.522 1.000 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)C(=O)NCC)CC1 1722443256 FSTCGHSQAWHDLJ-VWLOTQADSA-N 488.633 1.447 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1722447277 GZPMWTJJHSWNHI-RTBURBONSA-N 498.550 1.749 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(OC)cc2)CC1 1722449687 ODWYXZHXKMQDIJ-UHFFFAOYSA-N 464.570 1.618 30 10 JDEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(CCOC)CC1 1722523599 AMVPNDTUWPXRPT-UHFFFAOYSA-N 453.635 1.987 30 10 JDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722530085 MMGDSGVLNKNRFJ-LJQANCHMSA-N 465.562 1.818 30 10 JDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722530938 DWRXVEAAKATIEJ-UGKGYDQZSA-N 453.591 1.922 30 10 JDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1722687965 YDFRLYLZRKDXOS-UHFFFAOYSA-N 454.579 1.266 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722688505 DPIREBPPTVIUGD-MOPGFXCFSA-N 477.573 1.654 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1722699728 XRWZRCIEBGKKRU-LPHOPBHVSA-N 475.571 1.496 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCS(C)(=O)=O)C1 1722712960 ABBKAGMSOLOCHN-MRXNPFEDSA-N 454.574 1.175 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1722730192 KZLFFDGOQFJNPZ-IIBYNOLFSA-N 495.627 1.255 30 10 JDEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NC)CC1 1722738354 HJDDUQMMCKWORE-KRWDZBQOSA-N 495.650 1.967 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1740615385 COVYVKAKNZEMAW-HNNXBMFYSA-N 469.409 1.862 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740616508 BZQBCHSJRAJBHE-MOKWFATOSA-N 492.573 1.724 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1740618212 FBVGJOHXOVUCDN-IBGZPJMESA-N 466.567 1.922 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(=O)NCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740628758 ZYMKGHNKSAGBJO-LEWJYISDSA-N 485.610 1.158 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNc2ncc(Cl)cc2Cl)CC1 1740694649 PKMLAIAVRYRRRE-MRXNPFEDSA-N 463.373 1.798 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)CN2CCOCC2)CC1 1740707500 FDRCJSUXCCBEAV-FQEVSTJZSA-N 498.603 1.930 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCC2)CC1 1740707711 NDCJEICTLGCNAE-UHFFFAOYSA-N 462.554 2.000 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1740717311 OUESRIKHYQEKMX-GOSISDBHSA-N 491.639 1.719 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1740876722 LSEUMIIMAOXWDO-DLBZAZTESA-N 482.632 1.920 30 10 JDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1740887728 CBPZLOWIPDSLQN-NRFANRHFSA-N 470.622 1.475 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1740955771 GADKWWMLBLSLLA-QFIPXVFZSA-N 481.645 1.787 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(C)(c3nc(C)no3)CC2)nnc1[C@]1(OCC)CCOC1 1740966149 WFHLTKKVLRGFLG-QFIPXVFZSA-N 459.551 1.482 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(CC)C2CC2)C1 1746536528 FLINFIAVRMKDMT-HXUWFJFHSA-N 457.604 1.819 30 10 JDEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1747532730 DPKZOBYDKGDWJE-UHFFFAOYSA-N 489.602 1.069 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1OC 1748671867 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452.606 1.878 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H]1CSC 1508084451 BLDDNONUSNRLRV-OAHLLOKOSA-N 453.572 1.826 30 10 JDEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2)CC1 1515557767 HYBLEULBGMUIEE-UHFFFAOYSA-N 461.574 1.589 30 10 JDEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCN2CCN(C(C)=O)CC2)CCOC1 1516192084 COPQMZHKWLGYFU-DHIUTWEWSA-N 459.595 1.224 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)CCC(C)C)CCO1 1517543816 HUWIWKLIDSDXJT-HYBUGGRVSA-N 470.574 1.867 30 10 JDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C[C@H]1C 1519227349 FNJODUYYROAGAZ-LJQANCHMSA-N 467.574 1.223 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCC(CCCO)CC3)n2CCN2CCCS2(=O)=O)cc1 1521089469 FGUHVUJQOXUZCV-UHFFFAOYSA-N 458.588 1.841 30 10 JDEE N#Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)N2CCSCC2)cc1 1521089472 FJTABUDUWCGSMK-FQEVSTJZSA-N 475.575 1.637 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)COCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539201267 ZRJLJMQWXSGXOW-IRLDBZIGSA-N 499.637 1.994 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cn2ccsc2n1)[C@@H]1CCS(=O)(=O)C1 1539202128 GDUKYRSHMFLIES-QGZVFWFLSA-N 489.627 1.581 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539221442 OLLJPPGBXUNWIU-NJYVYQBISA-N 463.648 1.921 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCN2CCN(C(C)=O)CC2)CC1 1539440885 CUFAOSIDUGATSW-UHFFFAOYSA-N 455.994 1.518 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)CN2CCCCC2)CC1 1539477432 MHSHLNCLIRXPCH-AZUAARDMSA-N 455.607 1.317 30 10 JDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CC(=O)N(CCOC)C1 1540052099 XHFIPOVRTYXMOI-KRWDZBQOSA-N 475.619 1.664 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1540905493 SOIVIQFTXKPRML-VQTJNVASSA-N 478.640 1.850 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1 1567753760 WREUSYGRMQBBIK-UHFFFAOYSA-N 459.475 1.431 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@]2(O)CCSC2)c1 1587689509 JKIDCCRHYCLEQL-RPWUZVMVSA-N 485.610 1.854 30 10 JDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1587783771 XIRGEVQURIQAMY-UHFFFAOYSA-N 456.576 1.911 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1588029046 CTKTXACDNDZSHU-QGZVFWFLSA-N 478.644 1.945 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1588035922 ZMCRPPKNDLTMGQ-AUSIDOKSSA-N 480.631 1.642 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1588039832 FSRZTGYEVHWTLX-KRWDZBQOSA-N 479.990 1.760 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 1588054286 MYXDTSHFIYDASI-UXHICEINSA-N 492.623 1.002 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)cc(OC)c1 1588233665 NLKGKKKDZIDAME-NRFANRHFSA-N 471.583 1.439 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCCN2CCOCC2)CC1 1588954970 NKTMRLXHTZCSIH-UHFFFAOYSA-N 456.616 1.619 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1589070447 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C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1689942772 CXAIDKHSOMBANZ-HKUYNNGSSA-N 453.609 1.666 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689993047 URVKROLSBHWOIY-GOSISDBHSA-N 499.559 1.998 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1690043623 HRKUROBVCJPFQB-UHFFFAOYSA-N 450.524 1.634 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)c2ccc(F)cc2)CC1 1690112338 VOUMWMZDIFYJCX-QGZVFWFLSA-N 462.595 1.760 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(O)CCC2)CC1 1690138147 SXKRXWZFCSWTGI-UHFFFAOYSA-N 475.391 1.927 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2(OC)CCOC2)CC1 1690140214 QHBYSQYBMJAUEB-XMMPIXPASA-N 453.543 1.725 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1690152161 AMTQXWTXYJOGGR-HKUYNNGSSA-N 484.626 1.908 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)C(=O)NC)CC1 1690152395 JHRRIPLCJCQACD-UHFFFAOYSA-N 482.585 1.604 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2snnc2C)CC1 1690152579 PZFWZWPMCHAARX-UHFFFAOYSA-N 453.576 1.314 30 10 JDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1690279759 CXGIAZCAOYXHDX-GOSISDBHSA-N 464.578 1.534 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1690288284 QKCFMHXJOJMIGB-FQEVSTJZSA-N 494.593 1.661 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cn2)CC1 1690313089 KYZGMKVTOCGEQF-QGZVFWFLSA-N 464.567 1.634 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)c2ccco2)CC1 1690375846 VTAHTMJLGLSZBF-JXFKEZNVSA-N 451.549 1.268 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1690661201 WSGFWLDKPMEDHL-CYBMUJFWSA-N 457.457 1.540 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1690675013 NNEYLQCVDFLORH-KRWDZBQOSA-N 495.613 1.467 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCS(=O)(=O)NC)C1 1690697147 PJXCSLRKDOACJX-IBGZPJMESA-N 457.560 1.461 30 10 JDEE 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C#CCSCCn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OCC)CCOC1 1589125656 NFBBCIDLBKYUDT-VQTJNVASSA-N 454.618 1.312 30 10 JDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1589287993 HHKKCUVXYRHCIL-UHFFFAOYSA-N 465.331 1.678 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C 1595171494 VNHNOVVNLNUWIE-RTWAWAEBSA-N 480.617 1.584 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1S(C)(=O)=O 1595239841 UXVYYQHRCAPZNY-UXHICEINSA-N 472.615 1.888 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2ccco2)CC1 1595785413 ZVZHAFLQNNXUTM-UHFFFAOYSA-N 456.528 1.496 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(C)(OC)C1 1595804490 AFUWHVZDALLCGB-MRXNPFEDSA-N 485.607 1.412 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CCOc3cccc(OC)c3)CC2)c1 1596989871 YPYLOIGFUAETSJ-UHFFFAOYSA-N 457.552 1.444 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1Cc1nncn1C 1611676658 ALVRRBJOISTNSK-HNNXBMFYSA-N 467.559 1.230 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nnn(-c3cccc(Cl)c3)c2CCC)CC1 1643372666 WGZDBJZZDNXHMP-UHFFFAOYSA-N 450.952 1.099 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC(C)(C)C(=O)NCC)c1 1689870616 UIVXGPWMXGTSNU-UHFFFAOYSA-N 460.542 1.954 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2Cc2cnnn2C)c1 1689873320 DVQBGMFIWOGJTD-UHFFFAOYSA-N 458.530 1.373 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1689876458 ANBAYGKNHFQIEC-MSOLQXFVSA-N 452.625 1.381 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1689916334 HIDDAMSNQIAUAG-IBGZPJMESA-N 458.588 1.714 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C2CCCCC2)N(C)C)CC1 1690111397 AVVVLHZQFPKZBT-UYAOXDASSA-N 465.668 1.154 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2CCOCC2)CC1 1690237231 WTCSFMGGKUTBST-NRSPTQNISA-N 496.678 1.418 30 10 JDEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1690474271 YQHMPXMZSXWHOO-UHFFFAOYSA-N 484.601 1.909 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccc(C(F)(F)F)n1 1690526708 CDHMKUGTPFYVLW-CYBMUJFWSA-N 475.497 1.285 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)OC 1690571843 KRLITHDAYCRLAN-VQIMIIECSA-N 467.567 1.978 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1690662934 GLPLTGZWPXQLPT-UHFFFAOYSA-N 479.545 1.601 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cccc(F)c2[C@H]1C 1690672207 LNGQNOPMBBQFHF-CRAIPNDOSA-N 492.577 1.176 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1690723529 UYLQVUMUUKWWNS-UGKGYDQZSA-N 492.690 1.915 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)C1CC1 1691229019 BRLICOBXIJVVPM-SJORKVTESA-N 459.551 1.605 30 10 JDEE CC(C)CN1CCO[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)C1 1692433840 GFEVUEKAFVJNPS-JOCHJYFZSA-N 481.601 1.644 30 10 JDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)COC)CC1 1697926085 GUIMJKKKANTFHE-HSZRJFAPSA-N 456.547 1.336 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)C(=O)NC)c1 1705507541 FOZFOQIQVBJDMF-RXVVDRJESA-N 482.585 1.831 30 10 JDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705510208 VPSPMOYVSNNBKX-UHFFFAOYSA-N 486.642 1.799 30 10 JDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCN1S(C)(=O)=O 1705548203 ZDLUSXJGKXWZFE-MRXNPFEDSA-N 479.632 1.040 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705568282 KDYZDBNMVBKIOL-UXHICEINSA-N 476.647 1.292 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705568785 VGYDCADQTHINJL-GOSISDBHSA-N 492.573 1.555 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1705705921 NBCJHKOHZANEMT-KNQAVFIVSA-N 475.615 1.962 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC2CCOCC2)CC1 1705769023 GRWOCPMJLGOTQR-IBGZPJMESA-N 453.609 1.974 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(C)=O)CC2)cc1 1705912003 WOEWIFAUHAFJQM-IBGZPJMESA-N 459.572 1.462 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1705933242 YVKJMHSOHWPWEY-UHFFFAOYSA-N 481.644 1.762 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1705938086 MKLYYACZPDKTDN-FQEVSTJZSA-N 470.599 1.943 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCN(C)C2=O)CC1 1705946180 AWPJUIYFKXSQDZ-INIZCTEOSA-N 453.634 1.548 30 10 JDEE CCN1CCN(C[C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 1710293117 DVIOWXBERZHCKP-NZQKXSOJSA-N 478.601 1.731 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccco1)N1CCCCC1 1722294079 GAGHATLJKBHWIR-IRFCIJBXSA-N 490.630 1.889 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722332090 CRRYDBNHZCVRBR-MSOLQXFVSA-N 473.578 1.556 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1722359279 RJJVYUDFMJVZII-XBMUEBEBSA-N 486.598 1.757 30 10 JDEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1722364111 XJCLUFGFRMCHFZ-WTPASJBYSA-N 471.608 1.889 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1722370564 ORKXPGFWFKXOJI-FQEVSTJZSA-N 488.610 1.588 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1722373028 HQPNAKBNURPFHA-IBGZPJMESA-N 482.610 1.636 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(N(C)C)CCSC1 1722378291 CRGLCXKIEKQCFR-JOCHJYFZSA-N 471.656 1.748 30 10 JDEE C#CCSCCn1c(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1722463780 MRZUSDHTUGWQKJ-ZJSXRUAMSA-N 476.691 1.901 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1722491693 NPFYBZMWWASLFE-FPAYPSAMSA-N 463.608 1.046 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(C)nn(C)c2C)CC1 1722584500 ZUXMAFPSNMZPRM-LJQANCHMSA-N 463.608 1.412 30 10 JDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)N(C)C)C1CC1 1722645429 MIZPMUKUJOYFDS-UHFFFAOYSA-N 453.590 1.395 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1722695109 SWACKCGMCNXYEL-UHFFFAOYSA-N 488.552 1.858 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@@H](OC)C1 1722699687 XJTILIHJVPDQEW-BZSNNMDCSA-N 478.594 1.750 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1722700798 UWYRPPOYVDYEPC-KDURUIRLSA-N 466.590 1.364 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1722794203 NRCGJLYNLZPRNW-DQRAZIAOSA-N 483.504 1.191 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1723933978 IBCAVQASYBRPBE-KPLVRAHFSA-N 491.593 1.231 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(F)c1 1740553691 UBSHWWMIWJWNDY-RDTXWAMCSA-N 451.524 1.265 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CCNC(=O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1740618691 ARVCJBPEXPLUGO-GOSISDBHSA-N 467.551 1.903 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1740620835 YHROEELNGGMICW-SJLPKXTDSA-N 478.596 1.012 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740623156 PGAGRTDJXJFAFA-QZTJIDSGSA-N 490.630 1.609 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1740625196 ORVHHGKEGDXLHP-RDPSFJRHSA-N 488.610 1.906 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccn(-c2ccc(F)cc2)n1 1740683718 DCUKUQAWPGOEKA-HXUWFJFHSA-N 451.506 1.883 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCN(CC)CCC(F)(F)F)CC1 1740703887 CPOVHCHYZJBUJT-UHFFFAOYSA-N 478.523 1.975 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1740715540 BRDLTIWYFAIWSG-NRFANRHFSA-N 496.637 1.886 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1740715906 HOIURNAYEAXWTB-JKSUJKDBSA-N 464.592 1.326 30 10 JDEE C#CCSCCn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1740723108 PBAYZNADRSDMBD-YADHBBJMSA-N 476.603 1.111 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740944575 ROXJOPOYSBZYSZ-KRWDZBQOSA-N 465.601 1.539 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1740947224 UFGDBSGAZIBEKB-IBGZPJMESA-N 492.577 1.289 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1740954632 CPNGPWLLYKQWRD-UHFFFAOYSA-N 482.520 1.520 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NC)C1 1740969176 UZGGSBVBOBGFMB-SJLPKXTDSA-N 476.603 1.464 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1740990743 FABYEPZDCXNNPV-DYESRHJHSA-N 454.593 1.895 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1740993148 UBLZFNIFRLURHL-NRFANRHFSA-N 485.614 1.583 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)c1ccccc1F 1741130576 AHICNVKCWUWBBD-FXAWDEMLSA-N 493.609 1.872 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@]2(O)CCN(C)C2)c1 1748692779 OFALIKKMFSWNRZ-DVECYGJZSA-N 452.559 1.295 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCN(C(C)=O)C2)c1 1748692977 UMFUVXZPRCNCBK-FPOVZHCZSA-N 477.569 1.544 30 10 JDEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1748820967 KLOPBJMLDUJBAZ-QGZVFWFLSA-N 475.596 1.022 30 10 JDEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748958622 CTIQCFSRJQUGFK-QGZVFWFLSA-N 456.572 1.794 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1749006397 MNZBYVQIWXDPSC-HXUWFJFHSA-N 459.554 1.697 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccoc2)CC1 1749015720 KZEIPPMJXPAAPN-UHFFFAOYSA-N 452.540 1.877 30 10 JDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1749227036 YJDMWVYLSMWKFZ-LSDHHAIUSA-N 453.565 1.856 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1749229127 HMQHBBMOZXABTO-QZTJIDSGSA-N 451.593 1.364 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1749630085 OOHCLRQIKPKPAU-AEFFLSMTSA-N 498.650 1.927 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)[C@H](C)CC(N)=O 1749655058 BUDKIJNFMAFECW-GFCCVEGCSA-N 465.352 1.719 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749664790 ZOJXHSQYRIIIDD-QFIPXVFZSA-N 455.494 1.201 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1749668720 DFWPMSDXFCHEQX-HXUWFJFHSA-N 452.559 1.284 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1749680338 JKGCAZLZCYXWIN-FQEVSTJZSA-N 469.521 1.709 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CCS(=O)(=O)N2CCSCC2)C1 1749707313 UZQGZIGZUPEZOO-KRWDZBQOSA-N 466.633 1.444 30 10 JDEE C[C@H](CN1CCOCC1)Cn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1C(C)(C)C 1751164476 BFIIXEPBTUTCLI-RTBURBONSA-N 467.622 1.921 30 10 JDEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1752550514 DALMRZWFEVFUMF-FNZWTVRRSA-N 495.628 1.595 30 10 JDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1760148769 LTCHZOAKDGFXTO-IBGZPJMESA-N 454.560 1.738 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760187794 GTSWLEIKFNMUPB-CEXWTWQISA-N 474.631 1.788 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1760188505 BDAJEUWOCPQYML-HXUWFJFHSA-N 451.552 1.948 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1760191583 JVLPFPMAOFHFAO-QGZVFWFLSA-N 488.570 1.479 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760192506 JLJVIDBSYYHHGM-MSOLQXFVSA-N 483.635 1.944 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOC 1760241479 ARZBAHBGYDXKTG-GOSISDBHSA-N 451.524 1.036 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC(=O)N(C)C 1760241935 ONNMDBNPGWQJIH-GOSISDBHSA-N 461.563 1.828 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1760258669 AVFKLAAAUJQOMX-NRFANRHFSA-N 454.550 1.773 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)NCC)c1 1760288546 GDXSDCFHXPXZNY-OPAMFIHVSA-N 458.588 1.678 30 10 JDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1760359666 SSALREKVHZNYFN-NFBKMPQASA-N 467.618 1.845 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1760374006 GWTWAOQSFYYONS-QGZVFWFLSA-N 484.966 1.951 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1760389645 QCXAEMHPLIXYIK-YLJYHZDGSA-N 461.588 1.869 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1760397332 QUMLSQAQOWBGFA-HNNXBMFYSA-N 482.632 1.247 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1760503149 AKQGQCSMQOONOL-HSZRJFAPSA-N 454.531 1.636 30 10 JDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760523168 OHDVYPWAUOPHTL-DNVCBOLYSA-N 452.515 1.099 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1760525988 ZQLVXIZDVNHSQD-UHFFFAOYSA-N 451.556 1.590 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(F)(F)F)C1 1760548744 OHACTQCJXDVSNI-QWHCGFSZSA-N 473.543 1.268 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1760552721 YVWOAPZRMUIDLE-OAQYLSRUSA-N 495.609 1.290 30 10 JDEE N#Cc1ccc(CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)F)C2CC2)cc1 1771533149 AMHVSTZTJXOSHE-INIZCTEOSA-N 478.525 1.602 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)ON3C(=O)c4ccccc4C3=O)C2)C1 1772793688 RUDDUZHYTXUFRZ-BJCXIENYSA-N 478.523 1.992 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)C2CCCCC2)CC1 1857962912 VEBZXXMSXYWJBN-FQEVSTJZSA-N 458.584 1.962 30 10 JDEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCNC(C)=O)cc1 1862610139 CKEAHQRVOBTHTI-OAQYLSRUSA-N 480.473 1.959 30 10 JDEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3C[C@H](O)CN3C(=O)c3ccccc3)sc2c1 1866203343 FVJKUMBSJCCQDM-MAUKXSAKSA-N 486.575 1.975 30 10 JDEE CC(=O)N1CCN(C(=O)[C@H](NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)C(C)C)CC1 1868782877 MEGPWVMQPHWPNT-TZIWHRDSSA-N 459.616 1.856 30 10 JDEE CCCCCCCOc1cn(CCCN2CCCC2=O)c(CN(CCO)CCO)cc1=O 1870409638 XZMNXEYYJDPMOQ-UHFFFAOYSA-N 451.608 1.997 30 10 JDEE C=CCn1cc(OCc2cnnn2Cc2ccccc2)c(=O)cc1CN1CCN(CCO)CC1 1870441983 GYAXCYWNKQYMMX-UHFFFAOYSA-N 464.570 1.363 30 10 JDEE COc1cccc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Br)c1O 1873526904 BRZUIGGZQODTSD-MBCCIFHSSA-N 457.306 1.526 30 10 JDEE O=c1c(Br)c(N/N=C/c2ccc(O)c([N+](=O)[O-])c2)cnn1[C@H]1CCS(=O)(=O)C1 1873527404 XSXQKYLDJYCPOW-MJRCGYGRSA-N 472.277 1.425 30 10 JDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc4cc(F)ccc4n(C)c3=O)CC2)CC1 1890795289 VMMBFIHMBJRTFN-UHFFFAOYSA-N 454.546 1.550 30 10 JDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H]1c1ccc(C#N)cc1 1892157903 QARIPPYFDQBMLY-BVSLBCMMSA-N 470.595 1.802 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)[C@H](O)C1 2231048339 KUYSYELRVYGILE-OPAMFIHVSA-N 454.373 1.804 30 10 JDEE Cn1nc(C(=O)N=[S@@](C)(=O)CCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255623812 SIOREBKSSNXYLE-HKBQPEDESA-N 456.374 1.482 30 10 JDEE C[C@@H](CCNC(=O)OC(C)(C)C)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255799304 GGEUMYXAYPRGHE-ZDUSSCGKSA-N 458.390 1.301 30 10 JDEE C=CCCC1(C(=O)NC[C@@H]2[C@@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2266303177 SRERZEAJZVKVGV-BRWVUGGUSA-N 469.579 1.647 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267168734 FFMGAOIUJODVDX-KBPBESRZSA-N 465.381 1.903 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2267372425 OLQLGHIRLVHZPT-GJZGRUSLSA-N 488.437 1.696 30 10 JDEE CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267418596 KQMJIWGHTNLUNI-SFHVURJKSA-N 460.409 1.614 30 10 JDEE CC(C)(C)OC(=O)N1CC=C[C@@H]1CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267706258 URGHMGXIFFESDR-MRXNPFEDSA-N 465.381 1.835 30 10 JDEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2268632671 MQHNJGYGMUCBOS-CQSZACIVSA-N 452.317 1.494 30 10 JDEE Cn1cc(C(=O)NCCO[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281976550 CXRBDSRLMPYAGC-HNNXBMFYSA-N 464.372 1.475 30 10 JDEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282419947 SYDNBLILXIPEHN-CABCVRRESA-N 484.428 1.786 30 10 JDEE CCn1cc(C(=O)NC[C@]2(NC(=O)OC(C)(C)C)CCOC2)nc1B1OC(C)(C)C(C)(C)O1 2282540622 MEEATLCRBNBZKG-JOCHJYFZSA-N 464.372 1.616 30 10 JDEE Cn1cc(C(=O)N=c2nc(CCNC(=O)OC(C)(C)C)[nH]s2)nc1B1OC(C)(C)C(C)(C)O1 2282549046 DTNGZVGDDOWTPM-UHFFFAOYSA-N 478.384 1.312 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c(O)cc3O)C[C@@H]21 2282967812 QYWVRIFDSWMWNF-UOIKSKOESA-N 460.336 1.992 30 10 JDEE CN1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)OC(C)(C)C)C1 2283060834 KBLCEBBSKGOYIR-HNNXBMFYSA-N 461.372 1.057 30 10 JDEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CCS(=O)(=O)C1 2284065218 DZSOEUBZPULCQZ-OAQYLSRUSA-N 481.380 1.401 30 10 JDEE COc1cc(CNC(=O)[C@H](O)[C@H](C)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2289459761 MJQMQWCIGFQLHF-KBXCAEBGSA-N 464.368 1.885 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@@]1(=O)CC[C@@H](NC(=O)OC(C)(C)C)C1 2337193189 CCXNBHREAVLFRS-RZQXLCLMSA-N 468.385 1.625 30 10 JDEE Cc1cc(CNC(=O)C(CO)(CO)NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2344197485 NXEWOVXXKZWQJS-UHFFFAOYSA-N 470.397 1.220 30 10 JDEE CCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)C(CO)(CO)NC(=O)OC(C)(C)C 2370333068 ROVXKRAGUTUQPQ-UHFFFAOYSA-N 464.368 1.735 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)cc2C1=O 9702104 RXRBOQSZLBZOSI-MRXNPFEDSA-N 462.524 1.297 30 10 JDEE COc1cccc(CNC(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)c1OC 20914529 REUPSOMKIYVWFM-AUEPDCJTSA-N 457.516 1.569 30 10 JDEE CN1NOC(=O)/C1=C/C(=NC(=O)c1ccccc1)C(=O)N1CCN(c2ccccc2F)CC1 585673557 HUHYYWPDIIIGIM-URFGSCLQSA-N 451.458 1.548 30 10 JDEE Cc1ccc2cccc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)c2n1 609002475 RFQGITYNAKUNMU-UHFFFAOYSA-N 463.519 1.887 30 10 JDEE C#CCN(C(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)[C@H]1CCS(=O)(=O)C1 729330954 JFBGEQUACSARNN-IBGZPJMESA-N 450.516 1.788 30 10 JDEE C#CCNC(=O)c1ccccc1NCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC)c1=O 920402392 JMKKLPXWNSMSKM-UHFFFAOYSA-N 459.506 1.318 30 10 JDEE COc1cc(C=NNc2nnc(SCC(=O)Nc3nnc(C)s3)n2N)cc(OC)c1OC 1084363970 MZQMYGGUNMDVDW-UHFFFAOYSA-N 479.548 1.354 30 10 JDEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 1253780356 YDAHMXBIUJYIKO-OAHLLOKOSA-N 454.505 1.048 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286387404 DEEOOIYYXYAMNE-OAQYLSRUSA-N 482.610 1.554 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1286393974 MZECOQPMNDKRKO-SFHVURJKSA-N 456.959 1.987 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC(C)C)c1 1286408209 AEIPQMILPKULDB-JOCHJYFZSA-N 485.610 1.767 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)Oc1cccc(F)c1 1286411190 ZQNVIAWGZJPHRB-PZJWPPBQSA-N 489.573 1.681 30 10 JDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CC1(O)CCS(=O)(=O)CC1 1286436506 LMCWHFWDMWERDK-UHFFFAOYSA-N 470.393 1.445 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(F)(F)F)CC1 1286486619 HCRJLANUJCXXHU-UHFFFAOYSA-N 498.531 1.724 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC2(C(N)=O)CCOCC2)CC1 1286489351 PJWLDRFIYZXCCP-UHFFFAOYSA-N 450.543 1.193 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)N(CC)CC)CC1 1286492084 GMYCFTFJTHOOCX-HXUWFJFHSA-N 454.623 1.836 30 10 JDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1286772897 PZOIWYAQMZPUDR-INIZCTEOSA-N 481.648 1.532 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1286778983 GBIZNUBSBHKAGK-IAGOWNOFSA-N 456.547 1.786 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1286782626 AJWGMPZELWTRIC-WMZHIEFXSA-N 479.629 1.799 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1286793183 UYSBYZWNYZAHAD-UHFFFAOYSA-N 499.591 1.433 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H](C)C(=O)NC 1286817022 OAQBFRJGMONACY-HNNXBMFYSA-N 463.560 1.135 30 10 JDEE Cn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)cn1 1298827247 BTCBRRTZFWWZFK-QGZVFWFLSA-N 454.560 1.364 30 10 JDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1300493906 XBVOZHBIIHHRDZ-RXVVDRJESA-N 467.599 1.708 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1300502869 YWLPISVMYPUDFV-SFTDATJTSA-N 456.616 1.765 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CCN(C)C2)CC1 1300730627 DBYBUKNUTHOZBU-DEOSSOPVSA-N 470.549 1.029 30 10 JDEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS(=O)CC1 1300734210 TZMHDIYZKYWMBK-UHFFFAOYSA-N 452.005 1.797 30 10 JDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1300766140 URQQFXRLBDHTTK-UHFFFAOYSA-N 482.654 1.988 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1301483319 OBRURKICGIAHKL-INIZCTEOSA-N 492.422 1.507 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C(C)C)C1 1301510101 TWEAFFJKPKAEPW-QHCPKHFHSA-N 481.645 1.806 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1301539863 WUVRGOSHKGRAIB-NBCNXNJRSA-N 480.562 1.888 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1301577464 JZQBAAGBBWFHMP-UHFFFAOYSA-N 473.603 1.669 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1301578599 FWPRGDQMYHXKSU-UHFFFAOYSA-N 461.592 1.261 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1301587655 XBEJABUZVLKJNY-UHFFFAOYSA-N 464.680 1.826 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1303411156 HYZZAFULEWVGEA-NHCUHLMSSA-N 467.574 1.436 30 10 JDEE CCCN1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](CNC(C)=O)C2)C1 1307037939 GXHPXNMLCYKUSZ-UNMCSNQZSA-N 451.575 1.890 30 10 JDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1358912273 NFBAEVFQLOARAV-IBGZPJMESA-N 457.604 1.879 30 10 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C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1359043614 AYXYTWFJLYDGGO-IBGZPJMESA-N 490.543 1.184 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CN(C2CC2)C1=O 1359113783 QMCCAOWSAXQRPK-UWJYYQICSA-N 466.608 1.024 30 10 JDEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCNC(=O)CC1 1359222645 NWCDSGXTMIZGRY-UHFFFAOYSA-N 461.592 1.466 30 10 JDEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(=O)N1CCOCC1 1359224280 LSAQZCVPOMIBNO-UHFFFAOYSA-N 457.531 1.604 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1359296653 PZBNZIUZCBDXNZ-GOSISDBHSA-N 468.558 1.856 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1359297970 INIVJHIGCBRXHJ-UHFFFAOYSA-N 479.520 1.967 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)ccc1F 1448679205 FSXIZOLOPKTHAH-UHFFFAOYSA-N 459.507 1.715 30 10 JDEE C#CCCN1CCC(NC(=O)CSc2nnc3n(CC=C)c(=O)c4ccccc4n23)CC1 1457663710 YGJLNUKQJRVIGB-UHFFFAOYSA-N 450.568 1.926 30 10 JDEE COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)CNC(=O)c1ccc(C#N)cc1 1466109481 FNBVCJQMUZVNJB-IBGZPJMESA-N 451.479 1.994 30 10 JDEE CCC[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1499937370 DNAVDEBTSUXGLT-MBSDFSHPSA-N 489.646 1.633 30 10 JDEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507566848 MHGWFHNVFCDNDF-UHFFFAOYSA-N 454.550 1.985 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CC(F)(F)C1(OC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1507621486 AZIJZBBVDUBZQS-INIZCTEOSA-N 460.547 1.859 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1507625812 LGEMJXRESCTSGG-HFMPRLQTSA-N 493.674 1.821 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1507640609 ULLIQRLXWADPGZ-IBGZPJMESA-N 474.583 1.334 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1507678964 FMFPSRITKPZHPY-MRXNPFEDSA-N 450.536 1.956 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(=O)NCC2CC2)CC1 1507719178 YXQJTZHJXHEPNT-UHFFFAOYSA-N 460.380 1.328 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CCS(=O)(=O)CC2)CC1 1507721118 OMFKRHLAPODWDZ-UHFFFAOYSA-N 458.544 1.433 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCCNS(=O)(=O)CC)CC1 1507722813 KFJZJEHUEXTJDV-UHFFFAOYSA-N 495.447 1.792 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCS(=O)(=O)C2)CC1 1507741704 YRYZEBQYDGLTHH-QGZVFWFLSA-N 489.573 1.397 30 10 JDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507757440 UHSXISOEUWVCAE-UHFFFAOYSA-N 484.582 1.753 30 10 JDEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507830885 KSLKIEFKBQFBIK-UHFFFAOYSA-N 458.513 1.994 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@](C)(OC)C1 1508084511 CHTHDVFEDKPCRE-QHCPKHFHSA-N 451.531 1.500 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)C2CC2)CC1 1508143186 FMLNBPSJOWHFNG-UHFFFAOYSA-N 458.588 1.360 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1508145449 MHGLGXJRNVRZSO-CTNGQTDRSA-N 494.706 1.846 30 10 JDEE 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C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1540900576 AKCIHGDJAOIBSM-UHFFFAOYSA-N 471.587 1.994 30 10 JDEE C[C@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1541878494 BYZNDUNCCFWDJY-WIYYLYMNSA-N 472.615 1.798 30 10 JDEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cn1 1555568622 AJEMPGKLUXFRKK-LJQANCHMSA-N 455.544 1.331 30 10 JDEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1555993597 AEAXHENOOHTYLK-SJLPKXTDSA-N 468.455 2.000 30 10 JDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)[C@H](C)O)cc1 1585916331 AXTGSAYDXLHPEB-VCOUNFBDSA-N 456.568 1.259 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCNC(=O)C(C)C 1587662557 OWEJJGSWZQFTRP-NRFANRHFSA-N 451.619 1.873 30 10 JDEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1587872376 GWWXPHPGYSNPSZ-UHFFFAOYSA-N 478.597 1.374 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588030333 SMWDQDVWOIOAHH-BZSNNMDCSA-N 456.572 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QHNQORFGIOMFRD-CEXWTWQISA-N 481.667 1.281 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1595496801 HXRSYCGNNAFPLM-LJQANCHMSA-N 455.519 1.457 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1595761336 ZXEWXGZCVIKPHK-ICSRJNTNSA-N 466.652 1.381 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1595788714 HRNYHGNBSGTATM-KRWDZBQOSA-N 475.571 1.410 30 10 JDEE Cc1cccnc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1612319539 HWDXWZIYABHACI-OAQYLSRUSA-N 481.582 1.871 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCCS2(=O)=O)c1 1689868588 LLFMQQAFBFVBCR-IBGZPJMESA-N 486.598 1.440 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1689929988 IVJSOWRKOZMAAU-OALUTQOASA-N 480.635 1.013 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(COC)cc1)[C@H]1CCS(=O)(=O)C1 1689988535 RCZVLANWVWKBAT-FQEVSTJZSA-N 454.556 1.500 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689988989 ZWRQXMCYTRLKHR-HKUYNNGSSA-N 457.604 1.482 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(S(C)(=O)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689991229 YPQNGWMGTIPZAL-QZTJIDSGSA-N 484.644 1.156 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1689996459 IMXVQTCLEGCRJO-UJQZNKFNSA-N 492.623 1.404 30 10 JDEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCS(=O)(=O)N1CCSCC1 1690063749 OBADMRKKHWQTQX-UHFFFAOYSA-N 479.628 1.800 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCNC(=O)c1cccc(O)c1 1690210737 KFPBOJBKCUGZSV-XMMPIXPASA-N 450.543 1.918 30 10 JDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncc(F)cn2)CC1 1690319742 XGOXVFRYZASYJB-UHFFFAOYSA-N 455.542 1.988 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1690723430 RJLJEUBVKFOLCK-LJQANCHMSA-N 485.676 1.977 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1697022300 GWQWAKSKYTXNLY-GOSISDBHSA-N 453.528 1.419 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1705522845 GLCOEMKZRVAQAG-LJQANCHMSA-N 478.601 1.908 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705706342 SMOSQGQBKNPMLO-PGRDOPGGSA-N 473.647 1.825 30 10 JDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705806064 WDSHQAWWGMJAGQ-INIZCTEOSA-N 459.638 1.397 30 10 JDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1705829147 IQPAAHHSCBELBM-UHFFFAOYSA-N 481.557 1.080 30 10 JDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705831168 IKXJCPSGKFADRG-OFNKIYASSA-N 467.618 1.845 30 10 JDEE C=CCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705893363 FCDFMDCAVKDERB-CEXWTWQISA-N 473.622 1.978 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1705894670 HAPNNNOUHKPTAW-UHFFFAOYSA-N 465.562 1.092 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1705895065 SJXFOKVZUCTKGW-UHFFFAOYSA-N 467.578 1.056 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1705905457 VTQANHRXJYECIZ-NFBKMPQASA-N 479.629 1.468 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1705907500 ORMGDNPIUISDET-UHFFFAOYSA-N 468.606 1.671 30 10 JDEE CCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1708884205 CAJLFPFHHIMMPS-OXQOHEQNSA-N 470.571 1.260 30 10 JDEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](OC)[C@H](OC)C2)CC1 1710292673 HAKNENWAQJNLOB-AJSBUHFISA-N 467.618 1.940 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1csc(CC)n1 1722332827 PBXZTXZFTDMKOY-MRXNPFEDSA-N 452.606 1.680 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1722333903 ZWHHMOHIGYDEAI-IBGZPJMESA-N 455.584 1.992 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1722359564 TZXVYYCGEHJZHG-NRFANRHFSA-N 486.642 1.938 30 10 JDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccnc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722363691 HDXKEMHFWWGTGF-ICSRJNTNSA-N 472.615 1.698 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(CCOC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722369344 YAOBRYPDJOIMIL-MOPGFXCFSA-N 477.631 1.843 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722369636 CTNHRYADQHVZDY-GCJKJVERSA-N 462.547 1.784 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[C@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1722371789 LPQALYZFJKVXRO-FGSXEWAUSA-N 463.604 1.375 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1722441294 KEYXCQCVNHRFSQ-DNVJHFABSA-N 471.694 1.978 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722510047 RLGPEZLHAARIAO-TZIWHRDSSA-N 458.607 1.729 30 10 JDEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1722601544 YESIYCZAPSKHGZ-UHFFFAOYSA-N 453.551 1.107 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCOCC1 1722671694 BMOAHKFZBGGOMV-SFHVURJKSA-N 453.609 1.996 30 10 JDEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCN(S(C)(=O)=O)CC1 1722707770 YRAUFWNVCDYNCS-UHFFFAOYSA-N 456.572 1.978 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCN(C3CC3)CC2)C1 1722710690 NKFGPJLDGXHZOH-VQIMIIECSA-N 452.625 1.544 30 10 JDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1740570724 RRGGHJGWOGANBI-IBGZPJMESA-N 497.629 1.832 30 10 JDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCC(OC)CC2)CCCC1 1740600409 KWNJOIWTPBQLJC-KRWDZBQOSA-N 452.625 1.381 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(CSC)c1)[C@@H]1CCS(=O)(=O)C1 1740616292 XWVBCXAFBUKXQR-LJQANCHMSA-N 475.640 1.954 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1740619030 FJNRRWULLNLPAL-MJGOQNOKSA-N 490.582 1.395 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(N(C)C)CCOCC1 1740636932 IXJDEKRYJCKQRL-UHFFFAOYSA-N 469.615 1.422 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1740698929 QNSGBKCGEFEMQU-UHFFFAOYSA-N 460.586 1.645 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1740700317 OEKNQEAPQJFZMU-UHFFFAOYSA-N 463.579 1.965 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1740706184 QPXGGUVRDVGTLK-HXUWFJFHSA-N 455.607 1.064 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1OC 1740900458 YKXLNEBODWJBRN-VQIMIIECSA-N 465.576 1.709 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccn(C)n1 1740916231 HOZWTKYUIYJDFQ-OAQYLSRUSA-N 496.597 1.457 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1740952034 SFJYQXOWJJNVCR-GUYCJALGSA-N 484.529 1.047 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1740963129 AGNVTDBAFUAEHX-MRXNPFEDSA-N 458.588 1.703 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN(C(=O)NC)CC1 1740963607 PYEKNKPKUFTHRS-UHFFFAOYSA-N 492.378 1.383 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H](C)CN1CCOCC1 1741874762 BCVKXAYQQSQMKO-MSOLQXFVSA-N 475.619 1.365 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCOC[C@@H]2OC)c1 1748690476 SLWQNFPHOFWADK-ICSRJNTNSA-N 468.558 1.524 30 10 JDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1748789960 CSOLWAOBVTYFAR-PMACEKPBSA-N 456.616 1.460 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1748804481 IIQMAOYYANRJAT-SPEDKVCISA-N 450.605 1.992 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748815970 UZIUJMZSWDDZML-WTGUMLROSA-N 490.674 1.612 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC(F)(F)F 1748826686 YLRAERLDQZQARK-OAHLLOKOSA-N 469.489 1.951 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)C1CC1 1748882631 ZTEHRUODEDSZTF-UHFFFAOYSA-N 468.583 1.185 30 10 JDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1748992894 JPNPUKIGRCLFHL-FCQUAONHSA-N 481.507 1.429 30 10 JDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1749029912 ZNTSYKJAGKZWCG-OAQYLSRUSA-N 463.611 1.926 30 10 JDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1749095791 DAUYUFNDRSJBKU-HNNXBMFYSA-N 470.397 1.592 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn2ccsc2n1 1749575045 KIZNXLVBOFJGTI-MRXNPFEDSA-N 463.589 1.547 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1749755511 IFCRHXRGSPOUHO-GUDVDZBRSA-N 469.677 1.646 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CN(CC)CC)cc1 1760117780 TZKGMWIVCFRAMN-KNQAVFIVSA-N 488.658 1.959 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(C=C)cc1)[C@@H]1CCS(=O)(=O)C1 1760180719 JWHIQCVPMOGJQA-YLJYHZDGSA-N 491.639 1.401 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760183735 QWWFGENVPQLJSR-NRFANRHFSA-N 482.610 1.554 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(COC)c1)[C@H]1CCS(=O)(=O)C1 1760188106 HUEYDNYUYWWJRU-FQEVSTJZSA-N 454.556 1.500 30 10 JDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1760196400 MVOHVUTZQOPGHD-HSZRJFAPSA-N 456.568 1.649 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(SCC)c1 1760205695 HSJHTFAHYXPNHU-HXUWFJFHSA-N 473.624 1.844 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)F)cc1 1760249320 JNEDGSOGKLNJMM-MRXNPFEDSA-N 454.499 1.916 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCNC(=O)C(C)C)CC1 1760256359 NZOUZVADUNPTEB-UHFFFAOYSA-N 454.575 1.880 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)s1 1760282193 XMBHUHDPUPCDAA-KRWDZBQOSA-N 469.658 1.984 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNS(=O)(=O)CC 1760292122 PWEMTBZKXHLKJC-OAQYLSRUSA-N 469.575 1.242 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N1CCCCC1 1760337048 MTJWWTZSWQNPAU-GOSISDBHSA-N 468.624 1.416 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1760411993 TZCFLANXARAEOP-IRXDYDNUSA-N 450.609 1.836 30 10 JDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)NC(C)C)CC1 1760509419 DJYDIRALSPWIBE-UHFFFAOYSA-N 450.547 1.025 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](N2CCCC2=O)C1 1760515003 JDMHSPYQPAVLAB-AWEZNQCLSA-N 462.352 1.539 30 10 JDEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 1760531056 BJBBYHWVCKSTKG-UHFFFAOYSA-N 482.585 1.699 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 1760548771 OXPAMPNBLUGZKE-OYRHEFFESA-N 486.642 1.585 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)NC(C)C)CC1 1760552296 JROZLSPBXIRGJL-UHFFFAOYSA-N 495.049 1.846 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1760554790 MRKFAACYZQZMNF-NVXWUHKLSA-N 482.632 1.028 30 10 JDEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC(O)CC1 1760848572 GDGJCERCKUXQGD-UHFFFAOYSA-N 453.591 1.872 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1772567377 YZCYWEUHCIGZAH-HNNXBMFYSA-N 460.564 1.181 30 10 JDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc(Br)c1 1865729434 OUYVZOGZBHCYDM-HNNXBMFYSA-N 487.354 1.742 30 10 JDEE CCOC(=O)N1CCN(C(=O)[C@@H](C)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868783690 TZOHPOBTVYWPSW-AEFFLSMTSA-N 461.588 1.830 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)NCCCCN2CCCC2)nc1C 1872706498 BIUCDERKALLVKG-UHFFFAOYSA-N 492.558 1.801 30 10 JDEE C=CCNC(=O)c1nc(C(=O)N2CCN(Cc3nnnn3-c3ccc(F)c(F)c3)CC2)cs1 1890970080 KCCBUSMHWQMYGW-UHFFFAOYSA-N 474.497 1.271 30 10 JDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180968744 SGAPXBBGXRAKIA-UHFFFAOYSA-N 461.368 1.285 30 10 JDEE COCC1(NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267521599 SLUVOAMPABJJTH-UHFFFAOYSA-N 450.345 1.085 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267714332 WTDNMIAQZGHAAU-AWEZNQCLSA-N 470.401 1.349 30 10 JDEE CC1(C)OB(c2nccnc2C(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)OC1(C)C 2267871094 LMYYDLAVKFBWQZ-QZTJIDSGSA-N 482.346 1.590 30 10 JDEE CN(C(=O)OC(C)(C)C)[C@H]1COC[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268646297 JAEKSZZOBNJGKK-GJZGRUSLSA-N 467.397 1.940 30 10 JDEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H](C(=O)NCc3cnc(B4OC(C)(C)C(C)(C)O4)s3)[C@H]21 2268707915 WLJQQPASNWPRNS-RBSFLKMASA-N 465.381 1.693 30 10 JDEE CO[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2268710694 IJTHJEKKSNZSNS-ZFWWWQNUSA-N 450.345 1.951 30 10 JDEE CO[C@H](C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C1CN(C(=O)OC(C)(C)C)C1 2268723233 PZFGQYMQKLBWPP-INIZCTEOSA-N 467.397 1.940 30 10 JDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2281966194 OFQSZFFWLAIHDQ-OAHLLOKOSA-N 463.388 1.000 30 10 JDEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H](O)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281989507 AFJSLWYQBYNLGQ-HNNXBMFYSA-N 464.372 1.082 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(F)CC(CNC(=O)OC(C)(C)C)C1 2282171870 POTQXWTWGOFGSH-UHFFFAOYSA-N 467.351 1.487 30 10 JDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 2282308112 MXLOIVCTTYLEBY-UHFFFAOYSA-N 482.408 1.554 30 10 JDEE 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C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1507678591 KRYPXJCYAQDQCS-JPYJTQIMSA-N 454.579 1.890 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCNC(=O)OC(C)(C)C)CC1 1507731493 JZJPGEYXPMJBIW-UHFFFAOYSA-N 495.632 1.732 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1507745371 BDNQEDJCMHIPLK-MRXNPFEDSA-N 489.689 1.192 30 10 JDEE C=C(Br)Cn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OCC)CCOC1 1507792618 IYOKKOITQWDWDD-ROUUACIJSA-N 475.409 1.854 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)OC)CC1 1508105736 PPHCEQRRNJNQPX-MRXNPFEDSA-N 477.587 1.891 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1508144212 SACUGBSTEHFSBF-UHFFFAOYSA-N 493.659 1.401 30 10 JDEE CC(C)N1CCC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 1509547025 DEBGFAKWBVMHGO-HXUWFJFHSA-N 451.575 1.754 30 10 JDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)C1 1517660095 HNWFSGSQVAXEIV-FQEVSTJZSA-N 451.575 1.842 30 10 JDEE C[C@H]1[C@@H]2O[C@@H]2[C@@H]2C[C@@H]3[C@@H]4CC=CC(=O)NCC[C@H](O)[C@H]5NC(O)=C(C(=O)C=C[C@H]4CC[C@@H]3[C@H]12)C5=O 1534936924 FDWNTCRVFCCYKL-SUAJSKFDSA-N 482.577 1.561 30 10 JDEE C#CCN(c1nnc([C@@H](C)CC)n1CCS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539203961 WSJNCKNKXDWVQF-ROUUACIJSA-N 464.613 1.892 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1539361930 JPSVVIOWKOMEFU-UHFFFAOYSA-N 463.542 1.417 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN2C2CCCCC2)CC1 1539429995 GJHIDHHXNYKZPM-FPOVZHCZSA-N 477.679 1.441 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539646623 ZCVJJUAUAZVTGZ-MMKMLUHNSA-N 497.662 1.891 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)N(CC)CC)CC1 1540867166 MXYPQUITTFKIST-UHFFFAOYSA-N 469.546 1.560 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(C)(=O)=O)CC1 1540881025 XAVIXTITCQDLRE-SFHVURJKSA-N 494.639 1.807 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(c2cnn(C)c2)CC1 1540897532 LKXCQVYRAUKGGA-UHFFFAOYSA-N 484.586 1.644 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1540908714 MFBKHACROSKOIA-QFIPXVFZSA-N 498.650 1.161 30 10 JDEE C#CC[C@H](COC)NC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 1543468213 HPRKQFXTQUVEBC-JOCHJYFZSA-N 455.580 1.961 30 10 JDEE CCCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1547257001 BBLGCRAHUTXYRE-UHFFFAOYSA-N 491.600 1.644 30 10 JDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1588030310 SJTSDPGFGKNAAU-IEBWSBKVSA-N 492.001 1.525 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCS(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1588046140 YEMAJZJTFFKTEP-HNNXBMFYSA-N 486.019 1.117 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(-n2cncn2)nc1)[C@H]1CCS(=O)(=O)C1 1588058697 AMMJETPIGXYVRE-SFHVURJKSA-N 454.560 1.127 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCCNS(=O)(=O)CC 1588189316 HMTZSCGFBKUVKZ-UHFFFAOYSA-N 481.420 1.838 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(SC)CCOCC2)CC1 1588885870 ZWHQZPQOTOLFDB-UHFFFAOYSA-N 462.620 1.294 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCN2CC)CC1 1588890703 DVJWNOALOFOZPQ-GBXCKJPGSA-N 458.607 1.380 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCCN2CCCO)CC1 1588913183 BHLHUQPNOKLSTQ-HXUWFJFHSA-N 468.577 1.897 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCS(=O)(=O)c2ccccc2)CC1 1588930000 KUJISYKMUDOHPK-OAQYLSRUSA-N 485.610 1.959 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1588962292 YYASXPRHVWYNRR-GMAHTHKFSA-N 481.597 1.917 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](COC)C1 1589069205 IZIPAMJKVXXMIH-ROUUACIJSA-N 471.649 1.230 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1589529080 KNVJPIVPIYQCBB-XSYGEPLQSA-N 481.619 1.240 30 10 JDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1595476632 MDCNIHSNRRNSNH-FGZHOGPDSA-N 479.629 1.865 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1595529623 BKBOMAHAVYCFOI-UHFFFAOYSA-N 465.480 1.846 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1595543989 DJSJJJIATZBLMA-QGZVFWFLSA-N 454.597 1.072 30 10 JDEE C=CCCC[C@H](C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 1596757888 GFTPWOUOTKJEQI-UXHICEINSA-N 454.614 1.788 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCCN(C(=O)C4CC4)CC3)n2CC(=O)NCC(F)(F)F)cc1 1620350070 BBIONTMZVNQPJB-UHFFFAOYSA-N 475.475 1.944 30 10 JDEE Cn1cc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)cc1C(=O)NCC(F)(F)F 1664192550 CNHYBERMQWWBHA-UHFFFAOYSA-N 456.450 1.095 30 10 JDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1689901561 MTBPLLHQHHBBLL-LJQANCHMSA-N 483.642 1.816 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1689930311 PDKMXTLZAITJGZ-QGZVFWFLSA-N 495.602 1.244 30 10 JDEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1689940028 LDACTNBUAHQDNW-UHFFFAOYSA-N 494.596 1.940 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1689987699 AVTLUQYJGLILRK-HKUYNNGSSA-N 457.556 1.107 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C(=O)NCC)cc1)[C@@H]1CCS(=O)(=O)C1 1689990868 STABDSRRNOMVTF-NHCUHLMSSA-N 485.610 1.597 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(Cl)cn1 1690076980 GCTMOURQYHYASC-MRXNPFEDSA-N 468.967 1.198 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC3CCCC3)nc2)CC1 1690111823 KNJUNAZUNOOBOV-GOSISDBHSA-N 487.630 1.408 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](CC)N2CCCC2)CC1 1690150894 ZMVFYOLCDCMPLT-HXUWFJFHSA-N 455.607 1.241 30 10 JDEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690306026 MLWXQWVTUQDXHG-IBGZPJMESA-N 498.584 1.481 30 10 JDEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1690592913 MTULUTKUARHSJE-DEOSSOPVSA-N 498.609 1.964 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1690665504 GJJDICCZNHSCHR-UHFFFAOYSA-N 481.601 1.390 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2cc(OC)c(OC)cc2C1 1690678394 VCPJHNBUTWPECK-JTSKRJEESA-N 471.558 1.884 30 10 JDEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1698306338 FFDWPKKPSKQBIK-QGZVFWFLSA-N 451.574 1.265 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1705534247 CMBBQIASIXTICY-VAMGGRTRSA-N 461.563 1.966 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCCC2)CC1 1705534695 OQSIBVMPNDUETP-FQEVSTJZSA-N 464.636 1.479 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1705566022 LHHUVONGSBNSTO-MRXNPFEDSA-N 453.590 1.115 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CC(=O)NCC(F)(F)F)n1 1705631095 RQRAOHZSSXIHIZ-UHFFFAOYSA-N 455.485 1.737 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCc2n[nH]c(C)n2)CC1 1705646183 UCMKHRPGUXLNPX-UHFFFAOYSA-N 492.584 1.987 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(=O)NC)C1 1705662291 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UAHPFNPURTVQBJ-CZUORRHYSA-N 497.362 1.545 30 10 JDEE C#CCN(c1nnc(CC)n1C[C@H](C)N1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1300499785 WZTLJTDDJAKJMG-UNMCSNQZSA-N 470.643 1.678 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1ccc(C(N)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1300504324 LWMQUBPDATULEL-LJQANCHMSA-N 494.577 1.334 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(Br)n1 1300672068 UXASVHHBISYBDB-CQSZACIVSA-N 468.377 1.472 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCN(C(C)=O)CC1 1300675472 CJQKACFLRGVEFV-NHCUHLMSSA-N 460.623 1.447 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC(=O)NC(C)C)CC1 1300716158 JSKIJCPVKHSZBP-DEOSSOPVSA-N 474.606 1.199 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2c(CC)nn(C)c2CC)CC1 1300729356 WVHMANIYCBHYAP-UHFFFAOYSA-N 480.617 1.273 30 10 JDEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1300853599 RYHLOTOSZFCQBH-UHFFFAOYSA-N 468.425 1.753 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1301508425 LBSUMIOSYPNGSD-UHFFFAOYSA-N 486.690 1.931 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1301509824 NNBWTNOUBNUSNU-KDURUIRLSA-N 473.622 1.028 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1301586543 ULAXDWXBINUEBX-YLJYHZDGSA-N 464.636 1.135 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](c1cccs1)N(C)C 1303822697 DUSRYDVCLGILGY-ZBFHGGJFSA-N 451.622 1.993 30 10 JDEE CCOCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1314283348 CZCAJSAPJFZOEJ-UTKZUKDTSA-N 468.624 1.804 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](SC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358954901 AGGYXYSZWNUMIP-IAGOWNOFSA-N 467.661 1.919 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CC1(N(C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358959334 GVTGQAZYEBNKND-GOSISDBHSA-N 475.590 1.822 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1358961107 RTJKXMJXSUKICF-HXUWFJFHSA-N 481.582 1.044 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 1359028659 ZNLUPMXJAOACRJ-UHFFFAOYSA-N 472.977 1.988 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(NC(C)=O)cc2)CC1 1359031062 OROQMYLEUFKSSQ-XMMPIXPASA-N 452.559 1.692 30 10 JDEE C=C(Br)Cn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)NCCOC)CC1 1359085102 BNDUBLJVJJPUIH-UHFFFAOYSA-N 491.434 1.971 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1359223111 AULRVOULUWHTTP-QFIPXVFZSA-N 459.572 1.800 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)CC)C1 1359298916 PHAJINANXBUDNG-QGZVFWFLSA-N 492.584 1.472 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(N2CCCNC2=O)CC1 1359302203 ZGAOFQXMXFBJKT-UHFFFAOYSA-N 455.538 1.694 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 1359305576 HHOKMIHCHYZDSC-SJLPKXTDSA-N 453.609 1.512 30 10 JDEE C[C@@H](CC(=O)Nc1cccc(CN2CCNC(=O)C2)c1)/N=C1/NS(=O)(=O)c2ccccc21 1450208161 FROHZHSTFVQKMN-HNNXBMFYSA-N 455.540 1.074 30 10 JDEE C=CC[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 1465140074 XUIBLSBBRICXND-QGZVFWFLSA-N 452.577 1.756 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(S(=O)(=O)N3CCCCC3)CC2)c1 1472029558 BXRYAZLOAKPRJH-UHFFFAOYSA-N 455.602 1.571 30 10 JDEE CO[C@@H]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1504468840 BKGMVXLFIHSBAT-JENIJYKNSA-N 467.578 1.608 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1507631893 GVPVAOLJFPFWRG-WOJBJXKFSA-N 476.624 1.472 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCN2CCCCC2)CC1 1507718309 NXDPWEJYMOUBQU-UHFFFAOYSA-N 499.685 1.827 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCOc2ccccc2)CC1 1507733749 KWGMTBOFLHGWJM-UHFFFAOYSA-N 452.559 1.851 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nccn2C(F)F)CC1 1507885303 WTEFSWOILZVMQU-CQSZACIVSA-N 457.507 1.407 30 10 JDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1508022762 ZLBBIKKACZBTBA-RTBURBONSA-N 462.620 1.783 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1508075382 QGYZZWAOHDEBTG-WBVHZDCISA-N 462.576 1.193 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1508139602 HTGYJSUAVSEAPQ-UHFFFAOYSA-N 478.582 1.843 30 10 JDEE CN1C[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NCC(F)(F)F)CCN2C1=O 1517407267 DGOAEVTZKYBQDS-OAHLLOKOSA-N 462.436 1.051 30 10 JDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOc2cccc(OC)c2)CC1 1539115778 BOLAIGMVLDSPML-OAQYLSRUSA-N 452.559 1.852 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1539220384 RMNLASSWYHFVRA-SJORKVTESA-N 456.634 1.461 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCC(C)CC1 1539369984 QUQZJMSENIXLRE-IDYZSHNDSA-N 453.609 1.666 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)OCCO2 1539416709 SGEXOCWQTIZIHP-GOSISDBHSA-N 460.556 1.280 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@]2(O)CCSC2)n1 1539424196 NTLIRGAGNUDJRK-PGRDOPGGSA-N 460.604 1.523 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1539484401 NVJONGRCOWRNKY-SFTDATJTSA-N 452.559 1.281 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OC)CC1 1539517440 NOPCKLAOGYFOMW-KRWDZBQOSA-N 494.618 1.841 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(SC)CCC2)C1 1540893169 YFFZBYYKUPCPIQ-SJORKVTESA-N 471.649 1.678 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1540893491 DWYMZZPJGVJQJA-ICSRJNTNSA-N 475.615 1.940 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C2CC2)C(=O)C1 1540906954 HTZDALGOKNZRIQ-UHFFFAOYSA-N 473.599 1.886 30 10 JDEE CC(=O)N1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 1540954583 FWMYGSRSLNVEQI-IBGZPJMESA-N 471.587 1.157 30 10 JDEE Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)c(F)c1 1542392432 HKJFNNBLFZNMMH-LJQANCHMSA-N 462.551 1.847 30 10 JDEE Cc1nnc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)s1 1543109345 GOEFGTYSZNSHKP-UHFFFAOYSA-N 458.573 1.301 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccccc2F)n1CCCS(C)(=O)=O 1544582149 HEFCGIIFNXFLPM-QGZVFWFLSA-N 498.588 1.819 30 10 JDEE Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1562716461 CCXUBPBYXVHGMF-HXUWFJFHSA-N 451.531 1.872 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](c3n[nH]cc3NC(C)=O)C2)s1 1567490711 MFGKJXIUNFCRSU-CQSZACIVSA-N 451.574 1.843 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CSC)cc1 1587641147 XYJMZJSWMOWJJA-LPHOPBHVSA-N 463.629 1.980 30 10 JDEE C#CCCCn1c(N2CCN(c3ccc(C(N)=O)cn3)CC2)nnc1[C@]1(OCC)CCOC1 1587894581 XEOUKUKXNQWQOB-QHCPKHFHSA-N 453.547 1.164 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1588046009 VPGYBYDZOABESE-SJORKVTESA-N 484.548 1.795 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCC[C@H]1C 1588099168 IQTSSRXIGJEGCD-LJQANCHMSA-N 454.600 1.753 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([S@](C)=O)CC1 1588193517 GEWIUKFTVZNNQR-HKBQPEDESA-N 473.624 1.569 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@]1(O)CCS(=O)(=O)C1 1588594481 HNPFMELNTSJYGV-QGZVFWFLSA-N 489.417 1.405 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCOCCN(C)C)CC1 1588806583 VZYFCQOBTHWVMQ-UHFFFAOYSA-N 492.628 1.569 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@H]2COCCO2)CC1 1588899163 LPCRGHHMFWSECS-FQEVSTJZSA-N 468.514 1.625 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC2(O)CCN(C(C)C)CC2)CC1 1588923532 CMZMFJBYLTZUEZ-UHFFFAOYSA-N 479.629 1.850 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN2CCCC2)CC1 1588930511 YDETWXOYDJLCGO-HXUWFJFHSA-N 490.674 1.268 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CC2(O)CCOCC2)CC1 1588968309 HWOICOJOXBSPSP-UHFFFAOYSA-N 483.569 1.373 30 10 JDEE C#CCSCCn1c(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1589125116 GNKBGZUOFRRINQ-BEFAXECRSA-N 475.537 1.801 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)NC)C1 1589483235 NPVAJYVIWKVCGR-SCTDSRPQSA-N 453.547 1.869 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCN(C)C1 1595075558 HUSUGCVESAQAEZ-CVDCTZTESA-N 475.615 1.448 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1595405417 ODHYQRVTTGMSQG-LJQANCHMSA-N 463.560 1.377 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C(F)(F)F)C1 1595537169 MWSKLJMNEVFMGP-CQSZACIVSA-N 463.420 1.664 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1595595502 WUPIZESUSMCUDL-UHFFFAOYSA-N 498.584 1.243 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCC1CCOCC1 1608578803 HJNQBFDWTDVWGJ-QGZVFWFLSA-N 467.578 1.610 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1610313265 HAFYHJVAMNIJPE-UHFFFAOYSA-N 475.594 1.896 30 10 JDEE C=CCN1CCN(C(=O)[C@H]2C[C@@H](O)CN2C2CCN(C(=O)c3cccc(OC)c3)CC2)CC1 1614605262 YXVWOPYIBRKYLB-FYYLOGMGSA-N 456.587 1.065 30 10 JDEE C#C[C@H](CCC)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1622711401 NXMFZFXEJCZTTQ-QGZVFWFLSA-N 450.561 1.468 30 10 JDEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3cn(CC(F)(F)F)c(=O)nc3O)n[nH]2)c1C 1635131633 HLMUQZJVBITIPD-UHFFFAOYSA-N 451.409 1.831 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 1637847211 PTIFCHVGFXGYKO-UHFFFAOYSA-N 456.480 1.105 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)C1=O 1639526008 FRLCDDALULCWTF-DLBZAZTESA-N 456.499 1.483 30 10 JDEE C=C(C)C[C@H](CO)NC(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1684481919 LCPJUVBZSYFWRD-QGZVFWFLSA-N 455.577 1.731 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1689982833 VPTZCUSAZGVORW-RDJZCZTQSA-N 482.653 1.727 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CCNC(=O)c1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1689993443 DRNTXXWQJULKKH-IBGZPJMESA-N 471.583 1.296 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1689995961 BPIQZEMZSXVYON-KRWDZBQOSA-N 478.546 1.164 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1690032742 IBOQJHZYEFIZDP-IRXDYDNUSA-N 466.608 1.512 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H]1COCCO1 1690048918 STDKNBYQACCRGM-VQTJNVASSA-N 473.574 1.855 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCC[C@H](C)C1 1690077592 RWPJYYBFBDDVRM-VQTJNVASSA-N 466.652 1.583 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@H]2CCC[C@H]2N2CCCS2(=O)=O)n1 1690108048 NITUWFUHEYXMFM-PZJWPPBQSA-N 475.619 1.273 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCNC(=O)c2cc[nH]n2)CC1 1690115727 QLYLRKHIXJFHDL-UHFFFAOYSA-N 489.403 1.677 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCNS(C)(=O)=O)CC1 1690139665 WSBVBVLAHQQREL-UHFFFAOYSA-N 458.588 1.023 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN(CC)C(C)C)CC1 1690152813 YLSBSMRQBJKJJN-UHFFFAOYSA-N 454.623 1.836 30 10 JDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690164042 ZGWZAVULGSAJBH-UHFFFAOYSA-N 476.006 1.533 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1690287951 BGZRUCUZMJIYFA-LJQANCHMSA-N 482.557 1.792 30 10 JDEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)NCC)CC1 1690303350 XLWQQFUXELKYTO-UHFFFAOYSA-N 494.438 1.897 30 10 JDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1690308390 MMQVNDKVUMASSR-DENIHFKCSA-N 468.606 1.707 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1690644544 RTJXNXJREXJNKH-MSOLQXFVSA-N 496.659 1.368 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCOC[C@@H]1C 1690723628 XEANDGWAHJNFPY-HNNXBMFYSA-N 458.544 1.018 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CC1 1690762952 DQMCYGDJQXFTNL-UHFFFAOYSA-N 474.587 1.325 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1705559847 GLCORSWCKCSXHU-HNNXBMFYSA-N 471.568 1.251 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1nccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1705566044 LOFFETGQMCGKFA-HNNXBMFYSA-N 494.503 1.357 30 10 JDEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCS(=O)(=O)NC 1705585935 OLJDQTDLHLKHFP-UHFFFAOYSA-N 456.355 1.786 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1705902086 GBDVRSKBWLPVBM-KDURUIRLSA-N 483.617 1.775 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CCCCC1 1705904568 RUIRXBJYNNYGEF-QGZVFWFLSA-N 454.597 1.072 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)CN2CCCC2)C1 1705925715 SSVIKMMRGGCALF-XUVXKRRUSA-N 482.651 1.124 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1705932475 UTFIZJABEHSXCU-UHFFFAOYSA-N 486.520 1.836 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(C[C@H]2CCCO2)CC1 1705932575 HBDIPODQOLGVEY-LJQANCHMSA-N 475.615 1.856 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1705934211 FIVLAXHRCDVPFZ-GCJKJVERSA-N 459.572 1.236 30 10 JDEE CC(=O)Nc1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cc1 1706007011 DSEUEHGGYHNWNQ-UWJYYQICSA-N 460.535 1.823 30 10 JDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(S(C)(=O)=O)CCC2)C1 1706934614 COEZVBFTOPQYGR-YJBOKZPZSA-N 455.606 1.278 30 10 JDEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CCN1CCOC 1709548734 CKGLIHGOUQRPMZ-WIOPSUGQSA-N 467.618 1.820 30 10 JDEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC1 1709884471 GCBOVFZGKGBBPI-UHFFFAOYSA-N 473.603 1.640 30 10 JDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1712711281 HREHVTQUZQEFQO-UHFFFAOYSA-N 499.641 1.985 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC(F)(F)C1(OC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722360762 JLGVRBYYVFHWEE-MRXNPFEDSA-N 496.540 1.193 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1722363770 VLYBBDFQCSCNIG-SFHVURJKSA-N 471.583 1.626 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722371474 WSQNOMPUKKZGCS-QUCCMNQESA-N 491.589 1.344 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nnnn1CC1CC1 1722384784 YEUKMKOFNYVPTF-UHFFFAOYSA-N 479.589 1.910 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCn2nc(C)cc2C)CC1 1722441820 VCGMBGOEMJUQIM-UHFFFAOYSA-N 454.579 1.286 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC2(S(C)(=O)=O)CC2)CC1 1722449711 OLOSZKNNPRYRNG-UHFFFAOYSA-N 485.610 1.443 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CC2(O)CCOCC2)CC1 1722449812 PNJFEABDCQIPPB-UHFFFAOYSA-N 465.598 1.961 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNS(C)(=O)=O 1722525867 CDVUHBHMWZYLEW-UHFFFAOYSA-N 455.610 1.190 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1722566274 ODJCLWVJEUPATL-LJQANCHMSA-N 495.627 1.219 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC(C)(C)C1)C1CC1 1722650624 HBUDNHRNWHWUOT-IBGZPJMESA-N 466.652 1.888 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)C 1722656939 LZKFFFCWAOZWLN-NQIIRXRSSA-N 487.630 1.625 30 10 JDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1722685685 JXORAJSCWUDLTB-GOSISDBHSA-N 474.635 1.746 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1722707750 YIILLKDMYRXNPX-XLIONFOSSA-N 474.587 1.820 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@]1(C)CCCO1 1723951569 CQHOLSHYCDLZBW-AOMKIAJQSA-N 491.593 1.795 30 10 JDEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1727872894 CCLYTHZNLSXJAI-NRFANRHFSA-N 479.585 1.951 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCC(O)CC1 1740531052 DQEWWZSRYSRDAT-IBGZPJMESA-N 450.587 1.977 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1740592461 YBDUHHVLBVNLHC-VXKWHMMOSA-N 486.642 1.735 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1740616275 XNLMTKKHGUFAKM-KRWDZBQOSA-N 468.539 1.810 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740624745 LLMOQZZXYIAHRO-IAGOWNOFSA-N 475.537 1.120 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCCCC1 1740640742 VEGXBYDNNILHLL-FQEVSTJZSA-N 477.631 1.671 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CN1CCCCC1 1740671582 KFVJLOOFGUWYAC-RBUKOAKNSA-N 452.625 1.193 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1740678066 ZDXFVDPNJPDUKB-QFIPXVFZSA-N 457.531 1.612 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@]2(O)CCSC2)CC1 1740692504 KFIPJCRSJHWYHA-HSZRJFAPSA-N 457.600 1.976 30 10 JDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1740716131 MMDIONOBBXAFJD-AWEZNQCLSA-N 460.585 1.830 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCC(=O)NC 1740756097 NEWFCVIPHYYMAZ-YLJYHZDGSA-N 451.535 1.474 30 10 JDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1740782245 IQXQAECCXDISNE-VQTJNVASSA-N 475.615 1.318 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cnn(C)c2)CC1 1740851383 UQAKDSNFHYIMQC-IBGZPJMESA-N 492.650 1.273 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1740951409 YMYDRHJLWFLIFQ-IBGZPJMESA-N 458.485 1.346 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C(N)=O)C1 1740987226 COOBAVVVRPBVPV-OAHLLOKOSA-N 482.404 1.928 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@H](C(=O)NC)C1 1740988143 UYDDHSRVXFHYSI-KRWDZBQOSA-N 493.655 1.828 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1740990288 PDJRDTGPWAVGRQ-UHFFFAOYSA-N 454.556 1.985 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740993419 AJDMQDOUEJVLIR-ZACQAIPSSA-N 496.634 1.317 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1740996527 OLNQNTQPSVFYSK-UHFFFAOYSA-N 465.605 1.363 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccc(C)cc1 1748671250 HZZJUUNMYZGVOF-CMKODMSKSA-N 461.588 1.845 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1748836343 VNCKHUSXWMMXOP-FQEVSTJZSA-N 499.501 1.647 30 10 JDEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(=O)N1CCOCC1 1749089719 AZHSTVMBZKNKKK-UHFFFAOYSA-N 498.403 1.552 30 10 JDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1749187340 CJNNLFLQTIRSLY-HNNXBMFYSA-N 450.565 1.690 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Br)n1 1749488393 JPCDMWABLSRSNQ-CQSZACIVSA-N 471.381 1.439 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1749655729 QHLJALQYIYHVMP-UHFFFAOYSA-N 481.601 1.390 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(C)=O)C[C@@H]1C 1749727090 MVSXCBFNRSVMII-HNNXBMFYSA-N 461.544 1.332 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749738553 PKBPOPDRPUQKKY-GOSISDBHSA-N 450.609 1.652 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 1760253234 CMLWDOPPZMYWCY-GUDVDZBRSA-N 480.679 1.873 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2CCN(C(=O)OC)CC2)CC1 1760271596 DAAISXOSGIIBGH-UHFFFAOYSA-N 479.585 1.708 30 10 JDEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1760273889 FTTUDBSVTIYKBC-JOCHJYFZSA-N 489.671 1.875 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(O)c2)CC1 1760281752 QYQIPBHESZNHKB-KRWDZBQOSA-N 461.613 1.579 30 10 JDEE C=C(C)Cn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1760349384 JTCOFQAIYATRHA-LEEZEASISA-N 460.623 1.884 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(Cn2ccnn2)CC1 1760528115 SIRKAWCYSHKIAG-UHFFFAOYSA-N 454.510 1.807 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1760556802 QLSQTRNKCZUJIA-KRWDZBQOSA-N 462.572 1.902 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1760558368 NDGWIEJUJAKEQC-MXEMCNAFSA-N 495.690 1.954 30 10 JDEE CC(=O)N1CCCN(c2nnc(Cc3c(F)cccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1760599521 KWOJRWLVFMIFLW-FCQUAONHSA-N 499.522 1.732 30 10 JDEE CCN1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1767057430 CMNGKODJLPUZRE-FQEVSTJZSA-N 465.606 1.884 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)[C@H](C)C1 1772567156 KVTADCBABBLRDH-SJORKVTESA-N 475.594 1.362 30 10 JDEE C[C@]12CCC(=O)C(SCC(=O)O)=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C=O)[C@H]1CC[C@]2(O)C(=O)CO 1848438116 ISHDUKMONODMDD-AQMHOAPXSA-N 466.552 1.106 30 10 JDEE CS(=O)(=O)NCCCC(=O)Nc1ccc(C(=O)NCC(=O)Nc2ccccc2C#N)cc1 1860852006 XTRDLTMZUUJCEF-UHFFFAOYSA-N 457.512 1.195 30 10 JDEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861609633 OGLIITWVEKWHDZ-KNQAVFIVSA-N 479.533 1.952 30 10 JDEE CC(C)(C)OC(=O)N1CCS[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248404179 IXSCANSNVNFSCP-NSHDSACASA-N 456.399 1.550 30 10 JDEE COC1(CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255533726 XGFSAGCTHHZJBK-UHFFFAOYSA-N 453.370 1.808 30 10 JDEE C=C(CS(=O)(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CO)C1)B1OC(C)(C)C(C)(C)O1 2255953336 HMBWGFHESDUNAR-JKSUJKDBSA-N 460.402 1.711 30 10 JDEE CN(CCCCCNC(=O)OC(C)(C)C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267122843 PGFTYHDTOWBXIE-UHFFFAOYSA-N 451.377 1.881 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CC[C@@H]1CNC(=O)OC(C)(C)C 2267377923 IJBLSWDJNQSUAP-UKRRQHHQSA-N 470.401 1.301 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C[C@H]1O 2267539192 JRTGXNBQIDNXEU-RBSFLKMASA-N 450.341 1.973 30 10 JDEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@H](COCc3ccccc3)C(=O)O)c2)OC1(C)C 2269027094 VAQCTPQKNRMKMR-GOSISDBHSA-N 462.333 1.329 30 10 JDEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2281800152 FQAXYJQRBFLKKN-INIZCTEOSA-N 460.384 1.662 30 10 JDEE Cn1ncc(C(=O)NC[C@H]2CO[C@@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281828142 GNWPULUGAZKTPR-LSDHHAIUSA-N 464.372 1.379 30 10 JDEE Cc1c(C(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281990080 IOBVWLBEOVGZTA-WCQYABFASA-N 458.290 1.699 30 10 JDEE C=C(CS(=O)(=O)N1CCO[C@@]2(CCCN(C(=O)C(F)(F)F)C2)C1)B1OC(C)(C)C(C)(C)O1 2282505921 LARHVVYEKXADKB-GOSISDBHSA-N 482.330 1.760 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CCC23CC3)n1 2282611006 FMXAOBKXFMNHPU-UHFFFAOYSA-N 461.372 1.730 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H](C(=O)O)C1 2282665296 OENFCRIYQVRKBQ-INIZCTEOSA-N 461.324 1.527 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NS(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C[C@H]2C1 2282829184 AVUUJHCIXABRNN-QGTPRVQTSA-N 479.408 1.915 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282863837 XFNLQRUEQZDWLC-JKSUJKDBSA-N 482.408 1.634 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H]2COCC[C@@]2(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2283976187 ZWNRENVJARKIOC-YEJXKQKISA-N 480.396 1.471 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285186177 MKSYPXCEFKBJRB-INIZCTEOSA-N 465.331 1.510 30 10 JDEE COc1ccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)cc1B1OC(C)(C)C(C)(C)O1 2296178471 NSGLLAUIPQNFFL-KDOFPFPSSA-N 464.368 1.885 30 10 JDEE Cc1ccc(C=CS(=O)(=O)NCC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C#N)cc1 2297336725 ZVORFQPYBNNVPA-UHFFFAOYSA-N 458.452 1.847 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2362339109 VORKYPPNERUNMF-RBSFLKMASA-N 462.356 1.083 30 10 JDEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2N)cc1OC 20527405 MZWKSHCCPYLLCC-ZVBGSRNCSA-N 488.486 1.800 30 10 JDEE COc1cccc(/C=N/Nc2nc(SCC(=O)Nc3nnc(SCC(N)=O)s3)n[nH]2)c1 20832410 QXLOSJPUVWYZAD-NGYBGAFCSA-N 479.573 1.419 30 10 JDEE C/C(=N\Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1cccc(C)c1)c1ccccc1O 107050958 JJZWEFXMGAHMGP-DCMOEJRUSA-N 492.536 1.724 30 10 JDEE C#C[C@@]1(O[C@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]2O)CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]21C 575416087 SQQXJBRONRGLRT-DNFSQEKISA-N 472.534 1.529 30 10 JDEE C#CCN(C(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1)[C@H]1CCS(=O)(=O)C1 729335591 RWJZGNCHHJUOBG-INIZCTEOSA-N 451.549 1.113 30 10 JDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1F 729672053 UWLFCVNMOGYSCL-UHFFFAOYSA-N 491.548 1.732 30 10 JDEE Cc1nc(C#N)c(N2CCC(C(=O)NCC(=O)N3CCN(Cc4ccccc4)CC3)CC2)o1 1143348030 FCTZAOSUFRRCIU-UHFFFAOYSA-N 450.543 1.532 30 10 JDEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)C2)cc1 1264321625 AJCSUUFJUODLSZ-INIZCTEOSA-N 458.544 1.466 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(Cl)cc1 1286375924 AJRMITDYRSKMDG-CRAIPNDOSA-N 467.979 1.801 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1286382732 TVCBZSOLBVRYCB-SJORKVTESA-N 460.560 1.367 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2[C@@H]2C[C@H]2CF)n1 1286470663 BEARGZQYNSQEOJ-SOLBZPMBSA-N 450.540 1.193 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 1286492984 RYUBRMIPMXTOBO-XMMPIXPASA-N 480.594 1.563 30 10 JDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286549456 VOIBWKJZTIJJCY-ZNMIVQPWSA-N 483.367 1.383 30 10 JDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286632398 IMZVITGNRUSRMQ-YWZLYKJASA-N 461.014 1.881 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1286778791 JMBXRCMYPPXIJH-QGZVFWFLSA-N 459.595 1.195 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286818450 IRYXFSBVYOAVOO-KRWDZBQOSA-N 453.590 1.344 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2nccs2)CC1 1286823253 LIQTUZYPBWAGEU-OAHLLOKOSA-N 471.678 1.981 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1286825085 LKZRKHLKZLSHRF-DLBZAZTESA-N 453.609 1.862 30 10 JDEE C[C@@H]1COCCN1CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1291309458 HCMTZYWNENVWFF-QYZOEREBSA-N 475.594 1.800 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N1CCOCC1 1300309002 RMBVQWIWPCLDJE-SFHVURJKSA-N 452.563 1.159 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1C1CC1 1300310792 OYQNIPTVKSIYEL-WDSOQIARSA-N 450.609 1.086 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1300381137 OTWHJQIATDVTCO-GUYCJALGSA-N 451.515 1.831 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(OC)cc2OC)CC1 1300680837 FUQLDBCADKGBLR-UHFFFAOYSA-N 452.559 1.529 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2nnc(C)s2)CC1 1300716486 MRDDXBVWGDCGAQ-JOCHJYFZSA-N 473.603 1.299 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1301500931 RGXBETFNHCWRGF-SFHVURJKSA-N 452.559 1.498 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@]2(O)CCOC2)C1 1301543439 LUPJMAQPXJLVMR-BEFAXECRSA-N 452.353 1.979 30 10 JDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1305648916 DUYXJWRFSFGPEA-UGKGYDQZSA-N 497.600 1.181 30 10 JDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3OC)CC2)cc1 1350012288 FZRJTJPYCDUPQE-UHFFFAOYSA-N 457.508 1.890 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1ccccc1CC 1358929584 CZRBRWIZPQWZTA-FQEVSTJZSA-N 488.614 1.662 30 10 JDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1358929913 KVBAADPDLOOWID-GOSISDBHSA-N 496.634 1.472 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(CC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358956380 FAUUKNCTVRNWLK-DLBZAZTESA-N 471.649 1.485 30 10 JDEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1358962342 OCYGHDYHCSGZEH-KRWDZBQOSA-N 498.609 1.727 30 10 JDEE C#CCN(c1nnc(CC)n1Cc1ccc(N2CCO[C@H](C)C2)nc1)[C@@H]1CCS(=O)(=O)C1 1358963429 HWEIVXFCDNTASE-IEBWSBKVSA-N 458.588 1.136 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1358965442 VJICJHWYTHVRDA-GHTZIAJQSA-N 494.712 1.698 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)NC 1358993141 GTLLJSKKIZQLIB-UHFFFAOYSA-N 478.619 1.405 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCC(=O)N[C@@H](C)CC)CC1 1359033081 OQBMKORGXBBZRQ-SFHVURJKSA-N 452.559 1.776 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(C(N)=O)c2)CC1 1359046511 UUUVIYPQKVQERQ-UHFFFAOYSA-N 477.594 1.747 30 10 JDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CC)C1 1359084345 FBASYZZJENJFPM-ZIAGYGMSSA-N 464.386 1.135 30 10 JDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)N2CCSCC2)CC1 1359159701 BUJVTTMDIMZDOK-NRFANRHFSA-N 485.676 1.854 30 10 JDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1359283054 LQTOBROUNDUGQF-UHFFFAOYSA-N 452.563 1.636 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)NCC)CC1 1359296910 YSRHDTKOLMXKQB-UHFFFAOYSA-N 471.562 1.506 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1359305707 KVFBCBWNNPLADJ-HOCLYGCPSA-N 459.528 1.995 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1359309509 USYLYMMASPOSHH-IUKKYPGJSA-N 491.614 1.886 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1359333801 KHXXTQSKKTZUPJ-FQEVSTJZSA-N 474.562 1.920 30 10 JDEE C=CCOC[C@H](NC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)C(=O)OC 1448500326 WUBZRUBMVFZEHR-AWEZNQCLSA-N 451.328 1.908 30 10 JDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O 1449308192 LCHTZVPFBCJVJH-UHFFFAOYSA-N 455.554 1.809 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCO[C@H](CNC(=O)OC(C)(C)C)C2)cc1 1451022400 FDJFJUIELAJAMQ-QGZVFWFLSA-N 451.545 1.354 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)cc1 1465714907 URFZFEMITJLFBG-FQEVSTJZSA-N 457.508 1.151 30 10 JDEE CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1502054450 AZDAALSJGONVRL-GOSISDBHSA-N 468.587 1.858 30 10 JDEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)C1 1503732537 HFNXCTABSCHJQX-QFIPXVFZSA-N 486.598 1.658 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(F)c2)CC1 1507737932 DFNURPPADZIPHX-LJQANCHMSA-N 473.574 1.528 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1507753847 JERZOJWZGZGFRV-GOSISDBHSA-N 456.547 1.697 30 10 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C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C(N)=O)C1 1740996806 IVXWBEVVQCMIPY-INIZCTEOSA-N 464.617 1.426 30 10 JDEE CC(=O)N1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)C1 1741030169 FONRLFTULBFAKH-OALUTQOASA-N 451.531 1.299 30 10 JDEE CC(C)OCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CC1 1741763742 DEGJSOCDVNDKKY-UHFFFAOYSA-N 454.575 1.905 30 10 JDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC[S@](=O)C(C)(C)C 1743206135 CIQAZEGZOUYUGM-FTDQSSOUSA-N 458.588 1.943 30 10 JDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1745893740 BWTKYBIFNGAWES-UHFFFAOYSA-N 467.574 1.948 30 10 JDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCCC1 1748105170 FBDASCOPTNNDRS-MRXNPFEDSA-N 458.588 1.992 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1748665355 PVQMSADKNJHWEL-KRWDZBQOSA-N 498.609 1.463 30 10 JDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1748770522 AMJIQJLXROBVQP-RUZDIDTESA-N 466.586 1.737 30 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HKADGKFZDUZVDC-MRXNPFEDSA-N 486.623 1.092 30 10 JDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1595314138 HFANAHKWQJLDMO-IEBWSBKVSA-N 452.563 1.490 30 10 JDEE C#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)NCCOC)ccc2Br)C1 1595790788 RTKRYSSLQXPYQS-CQSZACIVSA-N 458.378 1.201 30 10 JDEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C(=O)NC)C1 1595844854 IQFQBWASTPGDPN-AWEZNQCLSA-N 455.382 1.906 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCC[C@@H](O)C3)CC2)c1C#N 1612469443 AGZOHFYZDVWUSY-ZWKOTPCHSA-N 469.594 1.208 30 10 JDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOCC2)nc1 1619909582 CGWAZHADXBPNBA-UHFFFAOYSA-N 468.562 1.160 30 10 JDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC1(N2CCSCC2)CCCCC1 1627826517 DJFYVOKMIBYBEQ-UHFFFAOYSA-N 450.630 1.983 30 10 JDEE C=CCC[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)C(=O)OCC 1640863721 LVRWGACHUTWWRF-NVXWUHKLSA-N 450.513 1.638 30 10 JDEE C#C[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 1642431083 VSAYLHHFUJVLMV-UONOGXRCSA-N 457.346 1.381 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)c1 1648521700 IFHYMNPKDQYSGV-NVXWUHKLSA-N 466.503 1.733 30 10 JDEE CC[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)[C@H](CC)CN1C(=O)OCc1ccccc1 1661643966 BSERSQWFBIJYLJ-VAMGGRTRSA-N 450.561 1.967 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(OCC(C)C)c(OC)c2)CC1 1681877896 YCFOMSCLPOJHKW-QGZVFWFLSA-N 452.577 1.586 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1689892618 JLZANENBSQWKIG-ZJSXRUAMSA-N 487.626 1.821 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCNc1nccc(C(F)(F)F)n1 1690102764 URIMINYXKRBFNI-ZDUSSCGKSA-N 452.441 1.236 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1690229169 POFDVHHKUMTOSW-GJZGRUSLSA-N 474.425 1.830 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1690288372 VKFXJYOTRGXAEW-QYWGDWMGSA-N 482.607 1.291 30 10 JDEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690307132 PUPNRSYULLVKLD-UHFFFAOYSA-N 452.559 1.773 30 10 JDEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1690382322 KEWAEDQQAACGBM-JOCHJYFZSA-N 462.572 1.962 30 10 JDEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690469602 VENRVMBGFJXRRG-PMACEKPBSA-N 462.595 1.933 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1690747232 WRAIBBBNUUNJGI-PMACEKPBSA-N 498.719 1.842 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2CC(=O)NCC=C)c1 1705505530 PPZNCCPAIMNFKL-UHFFFAOYSA-N 475.509 1.364 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1705559772 BEQPOEIPXYUURR-URXFXBBRSA-N 487.626 1.892 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705560183 FEKZWYVXRSQLNV-BQRYGKNWSA-N 486.660 1.104 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(F)(F)Br)[C@@H]1CCS(=O)(=O)C1 1705571626 DGULKQGHIYHXNJ-VXGBXAGGSA-N 453.309 1.744 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccn(-c2ccc(F)cc2)n1 1705604882 WBHJQEVRBKUBQF-INIZCTEOSA-N 459.551 1.915 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCS1 1705674368 HKVNYIZZQIKXMZ-FUHIMQAGSA-N 453.634 1.889 30 10 JDEE C=C(Br)Cn1c(N2CCN(C(=O)COC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705692501 LCNGZAQZFBOXAP-LJQANCHMSA-N 472.384 1.522 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1705894761 KCEWBNKRIGRBQP-UHFFFAOYSA-N 493.399 1.845 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2noc(C3CC3)n2)C1 1705928869 WJUWURKKARWGLO-MRXNPFEDSA-N 477.591 1.662 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(c2ccnn2C)CC1 1705930313 KSCWCYMVYYRLEE-UHFFFAOYSA-N 484.586 1.644 30 10 JDEE CN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)(C)C)CC1)S(C)(=O)=O 1711048331 CHLMLYHBAROCFP-UHFFFAOYSA-N 487.630 1.839 30 10 JDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1711286709 HSAVQECBCWDRGZ-UHFFFAOYSA-N 472.553 1.946 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@@H]2CC(=O)N(CCOC)C2)c1 1722304907 JZFXVLYOCSUWHV-LJQANCHMSA-N 452.559 1.953 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(CC)ns2)CC1 1722308653 PCCQHECTAIFPGE-OAHLLOKOSA-N 466.637 1.432 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1722332179 FQIZGGDDCWAIIY-NRFANRHFSA-N 452.584 1.787 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1722362436 UQFUTCFINDKZSH-KRWDZBQOSA-N 452.544 1.259 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1722367265 VCHRATOPOIWAQV-IBGZPJMESA-N 453.572 1.473 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(F)cc(F)c1 1722426478 IZNXUGSCHSBTEC-LJQANCHMSA-N 483.541 1.218 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H](OC)C(F)(F)F)CC1 1722441888 UHWRZBYUTPTGHK-INIZCTEOSA-N 470.521 1.992 30 10 JDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1)c1ccccc1 1722538975 CDKDRSSTMYGVRV-LJQANCHMSA-N 474.631 1.903 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1722617409 JPQAKRGMTTWRDP-PMACEKPBSA-N 478.663 1.669 30 10 JDEE C=CCCOCCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722627779 RYIZKWLKGIZQSA-HDICACEKSA-N 498.650 1.723 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722690852 MTIIHJAAHIGTKV-QZTJIDSGSA-N 453.547 1.551 30 10 JDEE C=CCn1c(N2CCN(CC(=O)NCCOC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722690992 NZLHREPDRCKCKY-HDICACEKSA-N 477.610 1.119 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1722700093 WJZFXQHIAMYVRE-UHFFFAOYSA-N 480.548 1.744 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3cnn(CC)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722703915 LMTXPLPSDRHPKF-CVDCTZTESA-N 473.578 1.415 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1722726083 ZCUABDQMONCTHU-UHFFFAOYSA-N 485.570 1.636 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1722730675 ZLVAJHMFDMWQPF-OALUTQOASA-N 476.555 1.787 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1722739483 VWXYMVKSOFDJSA-ZWKOTPCHSA-N 485.676 1.662 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1722759539 HLBITUUAXCFDES-OAQYLSRUSA-N 495.584 1.282 30 10 JDEE CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1723512192 CLFSNXUUBGVGTA-RUZDIDTESA-N 465.602 1.967 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(N2CCCC2)nc1 1723925186 HWRVAABIXWQXJE-MRXNPFEDSA-N 458.592 1.672 30 10 JDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740577409 CFKBFQJVGJHFSV-QHCPKHFHSA-N 452.563 1.758 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2c(C)cccc12 1740610885 ODWFRYSZMDSZJT-LJQANCHMSA-N 456.572 1.713 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740616174 VIFCAUZHRYCHAP-HYFFOGBASA-N 472.571 1.103 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1nnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 1740624704 AGMWFNJWFKPKKJ-HUUCEWRRSA-N 464.617 1.606 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1740626692 VXTHWMVCYLYFSK-NRFANRHFSA-N 472.611 1.736 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1740628657 SEZHBIDFXZMPIC-GOSISDBHSA-N 470.555 1.458 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CN(C)CC)c1 1740640352 LIFSBFFQJZXZJZ-JOCHJYFZSA-N 484.626 1.184 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1740657801 YRIBVTWHTXCVEG-HSALFYBXSA-N 461.632 1.531 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2(SC)CCN(C)CC2)CC1 1740704004 FUOQEPNEIQSSGS-UHFFFAOYSA-N 468.631 1.528 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(OCC(N)=O)CC1 1740762217 CGTCFCZRBKENLL-XMSQKQJNSA-N 457.579 1.592 30 10 JDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740886809 STPYMHRIHWPSDI-FQEVSTJZSA-N 453.547 1.623 30 10 JDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 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C#CCNC(=O)CN1CCCN(C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 1464847882 MBJWPGKZRSMQDL-OALUTQOASA-N 455.559 1.974 30 10 JDEE COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1504858389 BDXDVDWQKJEHFQ-UHFFFAOYSA-N 469.546 1.386 30 10 JDEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@]1(O)CCS(=O)(=O)C1 1507608266 HMPVQGXLDFRIIZ-JOCHJYFZSA-N 456.524 1.736 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507636717 CPZIPBXIDVJSDW-SJORKVTESA-N 494.618 1.065 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@@H]2CCC[C@H](O)C2)n1 1507715651 AUMLWZVWNLAVEI-QUCCMNQESA-N 450.547 1.769 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCN(CC)CCC)CC1 1507723423 ICVZCPQAMVISTM-UHFFFAOYSA-N 462.602 1.679 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2ccccc2)CC1 1507746426 QNEOKBBRJCFNRE-QGZVFWFLSA-N 463.629 1.743 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(CC)C1 1507845942 UPWSBWQEQREUSB-YLJYHZDGSA-N 457.597 1.209 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1508000950 GTRIOMBEKXZCNV-LJQANCHMSA-N 460.604 1.890 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NCCC)CC1 1508085022 FCAMQYZPBAVXLZ-UHFFFAOYSA-N 492.584 1.237 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(F)cn2)CC1 1508135830 BHIWFCZJULXOAF-UHFFFAOYSA-N 459.551 1.745 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCCNC2=O)CC1 1508144131 QLUPYRUWFJLQIS-UHFFFAOYSA-N 490.634 1.125 30 10 JDEE CC(C)CN1C[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NC(C)C)CCN2C1=O 1509403243 GJFSIXKPLVTSFD-FQEVSTJZSA-N 464.574 1.924 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1509619138 FTKVSIKITNSYCF-KRWDZBQOSA-N 452.563 1.825 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1538974046 QSDFZRIBMLTWGN-YESZJQIVSA-N 460.604 1.923 30 10 JDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1539104695 OMWCXWTZTPHLOY-UYAOXDASSA-N 477.573 1.702 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539220866 MLJUOICQEQXDOV-VAMGGRTRSA-N 497.687 1.071 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1539230216 DHIIOFBKLOUUDO-NHCUHLMSSA-N 485.610 1.701 30 10 JDEE C#CCSCCn1c(CC2CC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1539524387 BBYFPBCDBJVRFJ-UHFFFAOYSA-N 458.632 1.537 30 10 JDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1540064150 LZMNQZUUAKMVIJ-OAHLLOKOSA-N 457.560 1.096 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1540862148 SOTCUYARWVAOGN-GOSISDBHSA-N 473.965 1.269 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1540862453 BLHBOUUIGLRZAR-IBGZPJMESA-N 492.584 1.924 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCN1CCOCC1 1540864311 VZMZZINICGISJE-UHFFFAOYSA-N 452.357 1.106 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1540869699 UUMSVBPDSPLRBK-UHFFFAOYSA-N 451.535 1.354 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540903574 DAFNUTBBLJJZLR-INIZCTEOSA-N 485.607 1.079 30 10 JDEE CC(C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1541690454 DJIZPRIIIIDNFV-FQEVSTJZSA-N 465.558 1.765 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCCS1(=O)=O 1554149249 GDRWULWBITTWPD-LJQANCHMSA-N 456.572 1.989 30 10 JDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C1 1554400005 CJLAGKYIHKTSEH-HSZRJFAPSA-N 451.531 1.028 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1=O 1555596818 ATMPAARIWXCWDT-CTNGQTDRSA-N 484.557 1.075 30 10 JDEE C[C@H](CC(=O)NCCc1ccccc1N1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 1569281787 BRHFCPZMBYUGRP-QGZVFWFLSA-N 456.568 1.699 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1587766732 YDBFXBJQOGECIA-NRFANRHFSA-N 476.691 1.979 30 10 JDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCNS(=O)(=O)Cc1ccon1 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C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CC(=O)N1CCOCC1 1589578137 GKJORAJLWQRHNM-ZFMNYDKASA-N 463.579 1.278 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccn(C)n1 1595259788 CSIWUQGVTLCWPW-LJQANCHMSA-N 475.575 1.221 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1595658473 FCDQYBJMNYUHLD-LJQANCHMSA-N 495.584 1.016 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)c(F)c2)C1 1595674731 SQJRBZXLMHMNJH-WBVHZDCISA-N 466.583 1.923 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCN(C(=O)OC)CC2)C1 1595722130 JDHIDGFJAFJMOJ-MSOLQXFVSA-N 467.592 1.440 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(F)(F)C1 1595789012 MPVNJJUGXLEDCC-UHFFFAOYSA-N 474.559 1.684 30 10 JDEE C#CCCN1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCCC[C@@H]2CCO)CC1 1628691620 YYHTZAWHHOQKJE-GOSISDBHSA-N 453.630 1.891 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccccc3F)C2)C1=O 1637979695 NHKHBYBJDQQMRX-DOTOQJQBSA-N 474.489 1.622 30 10 JDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(NC(N)=O)cc1 1689959769 MGJSRJMADKNRBE-UHFFFAOYSA-N 452.544 1.847 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1689982652 RLCFKZDYBBJVPJ-LAUBAEHRSA-N 479.628 1.679 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN(CC)CCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689988646 SYDXGJOGSMTWKG-HOTGVXAUSA-N 490.552 1.130 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCS(C)(=O)=O)CC1 1690110469 NMKANIGLYVXSNA-UHFFFAOYSA-N 479.006 1.051 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1690139490 PBSJCVHOIDPITQ-FQEVSTJZSA-N 464.570 1.834 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@H](COC)OC)CC1 1690146702 URRULYFEDBPFNA-GHTZIAJQSA-N 469.542 1.418 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1690433232 ULQVWQZQYWTITC-AUSIDOKSSA-N 496.678 1.514 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1Cc1cn(C2COC2)nn1 1690558387 NXHBOMSQPRGQKW-UHFFFAOYSA-N 461.530 1.692 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1690668275 YWSKESOHVLTCMX-QGZVFWFLSA-N 467.578 1.975 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1690669358 BIXQCWCMHILBDR-IRXDYDNUSA-N 473.603 1.103 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1690677357 VJMVALJWCFPODH-LJQANCHMSA-N 499.591 1.431 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690720942 VQHNYOIMNUCSNP-OAHLLOKOSA-N 454.574 1.178 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1690723106 HZLIQWYIOBLVGY-UHFFFAOYSA-N 492.627 1.499 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c2c(c1)OCCO2 1705476442 AFURIQQKOGNSNU-STQMWFEESA-N 453.952 1.819 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1705526585 MQVTUMSJMQCCKD-ZWKOTPCHSA-N 459.528 1.723 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705559764 BDJUMMSXUWPFMU-UXHICEINSA-N 472.571 1.820 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705560139 DOIFJGVRQCVXDQ-HUVFLSCGSA-N 494.658 1.888 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1705561405 TWDKCNMVXCGQIE-DOTOQJQBSA-N 467.617 1.750 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)c(F)c1F 1705612616 KQQOBCPZOGUPCB-INIZCTEOSA-N 471.505 1.731 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC2(N3CCOCC3)CC(OCC)C2)CC1 1705649953 JMGMMVQCBRRSPJ-UHFFFAOYSA-N 458.607 1.076 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1705659596 ATJTURZNVWZISM-SFHVURJKSA-N 453.572 1.021 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1 1705701420 GLKJTSWUNVPGKY-AOIWGVFYSA-N 476.578 1.504 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(OC)ccc2OC)CC1 1705768886 CLXBFYGOJBYXQV-HXUWFJFHSA-N 477.587 1.833 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCN1CCOC(C)(C)C1 1705791774 DIURRZMIPUEOKE-IBGZPJMESA-N 498.694 1.760 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1705900807 PZMXRBBDHJIQEF-UHFFFAOYSA-N 452.563 1.677 30 10 JDEE CCCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1709843996 AGZYDHWCQVFAFY-KRWDZBQOSA-N 460.546 1.552 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc(COc3ccccc3F)n2CC2(O)CCS(=O)(=O)CC2)C1 1712877170 CPAFHKXPMYADOJ-IBGZPJMESA-N 467.498 1.378 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1722358932 GYJFMQKKQRGZNH-RTBURBONSA-N 490.607 1.320 30 10 JDEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCN(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1722359490 NHPIDPQLJGROCT-LJQANCHMSA-N 471.583 1.896 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCS(=O)(=O)CC=C)[C@H]1CCS(=O)(=O)C1 1722360881 WUJQXEMVHGLTNO-FQEVSTJZSA-N 476.624 1.735 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1722364647 IUPMYKWABBAVGQ-IAGOWNOFSA-N 480.537 1.579 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC(=O)N2CCOCC2)CC1 1722430319 ARRPSGQXZPHION-IBGZPJMESA-N 470.549 1.561 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](OC)C2CC2)CC1 1722443984 RTKMHOIEEYAUHD-HYBUGGRVSA-N 459.591 1.710 30 10 JDEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722452639 IHARBLGRYNWUCY-QGZVFWFLSA-N 482.031 1.851 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(CC)C(C)C)CC1 1722584000 XEWIJYSHYBBSCH-IBGZPJMESA-N 454.641 1.744 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1722724672 CUPOZQKPJGMSJO-UHFFFAOYSA-N 497.625 1.703 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCOCC2)CCO1 1722847268 ACIJJCKGQCXTMQ-NRFANRHFSA-N 454.531 1.497 30 10 JDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC[S@](=O)C(C)(C)C 1726447221 BFQJLTGTNKJAKJ-FTDQSSOUSA-N 458.588 1.943 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2occc2C)c1 1740562203 MGCFRBHPNPTSNC-INIZCTEOSA-N 470.555 1.894 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCOc2ncccc2F)c1 1740562713 MZYWZWMLNCPURJ-LJQANCHMSA-N 477.500 1.899 30 10 JDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1740589028 MWUFBNABHQTRPG-UHFFFAOYSA-N 497.625 1.904 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1740616030 QAGOSLJFLJVEOT-HXUWFJFHSA-N 493.593 1.888 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740618095 BZEJPMIECMYWRZ-LJQANCHMSA-N 484.582 1.968 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1740620252 CQIGEZGEYNQVHQ-IBGZPJMESA-N 454.556 1.557 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)Oc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1740622483 YSYYKWYICPYJPK-IEBWSBKVSA-N 484.582 1.781 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1740663899 AZMLNZOHIZZFEZ-GOSISDBHSA-N 494.643 1.079 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CC=CCO2)CC1 1740703035 DODRRZSBUGOHHS-GBXCKJPGSA-N 457.575 1.630 30 10 JDEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740711123 HPAAYAFUZDGFFI-GOSISDBHSA-N 475.571 1.289 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1COc2ccccc2O1 1740717390 REMSEXWKPVCSFO-SJORKVTESA-N 462.597 1.823 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Nc2cccnn2)CC1 1740751384 JNWYFHOGXLDDNU-UWVAXJGDSA-N 490.634 1.740 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1740777701 ZVIURKYOSPNDDS-GOSISDBHSA-N 453.657 1.459 30 10 JDEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1740784545 HUWHVJLYWQXPKB-OAQYLSRUSA-N 486.598 1.936 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nccs2)C1 1740794651 FTWGDDIMARAHSE-CVEARBPZSA-N 453.590 1.807 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1740957395 MJXKPNPNWGVHPV-HDICACEKSA-N 454.579 1.363 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCc2nn(C)c(=O)cc2C1 1740964819 VEXDKVXSXSLLFE-UHFFFAOYSA-N 479.541 1.214 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1740988438 DTCCWLZQYBSLOM-VQIMIIECSA-N 450.561 1.795 30 10 JDEE CC(C)(C)OC(=O)NCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C#N)C1 1741229548 DNLQRRDSXJBEIU-MRXNPFEDSA-N 456.503 1.970 30 10 JDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCNS(=O)(=O)c2ccccc2)CCOC1 1746673497 BAMKJRDKWLYARK-QFIPXVFZSA-N 474.587 1.649 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1747441456 HSTFCTHAYFQWSP-SFHVURJKSA-N 459.576 1.061 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCS(=O)(=O)C1 1748651268 KMMMBQNARQGNHQ-DLBZAZTESA-N 479.628 1.478 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1748697967 BHXCMAYARNVOSO-QGZVFWFLSA-N 452.625 1.775 30 10 JDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1748725106 SJLOWIDCVDHHCT-FQEVSTJZSA-N 452.607 1.732 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(C)cc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1748811789 LLPYUFUMJRICSF-OAQYLSRUSA-N 498.609 1.687 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1748825371 XZTAYTZECAUPPS-IBGZPJMESA-N 497.577 1.944 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)CN1CCN(CC)CC1 1748840736 IISRHKSDZYDOOI-OAQYLSRUSA-N 496.685 1.585 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(OC)ccc1OC(F)F 1748929570 MXSZTEFAGFJWMV-SFHVURJKSA-N 499.540 1.729 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1748991091 PXBGBKAIESMBAM-DYESRHJHSA-N 462.476 1.435 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1749014307 HBUCTMLMRAUFGQ-HXUWFJFHSA-N 468.577 1.926 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1749103899 GPUKOYWRLWRWMD-GHMZBOCLSA-N 459.288 1.856 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCSC 1749129269 BYDDALAVEQJUHN-BZSNNMDCSA-N 473.665 1.782 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)CC1 1749131005 PHKYVUDMUMMVPL-HKBOAZHASA-N 496.678 1.370 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)OC(C)(C)C1 1749230584 ZPULFHSRUVDTKY-SJORKVTESA-N 457.597 1.207 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H](C(=O)NC)C1 1749669566 LVFFBPNYHMYUOM-GOSISDBHSA-N 489.621 1.657 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1749676727 BBXYNDWTTXGFRK-IBGZPJMESA-N 452.559 1.793 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1749737197 ZDTVMCHXJPJUCH-SFTDATJTSA-N 476.599 1.863 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCOCC2)CC1 1750998137 IDRSLOGZPTWINB-UHFFFAOYSA-N 451.575 1.890 30 10 JDEE Cc1nnc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)s1 1751866457 HKTLBVMHQWANLV-UHFFFAOYSA-N 472.600 1.691 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCCN2CCCC2)c1 1760127493 AQDIUIPJRUBWMT-UHFFFAOYSA-N 463.586 1.943 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@H]2CC(=O)N(CCOC)C2)c1 1760128025 UZBNDWZOAQZXFC-PZJWPPBQSA-N 480.569 1.681 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1760191624 KVFFZZJKCGPYGP-GREBRCKQSA-N 458.584 1.230 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCOC(C)(C)C1 1760200458 JOPUTVUGOVGAAG-UHFFFAOYSA-N 469.615 1.422 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](CC(C)C)N(C)C)CC1 1760269857 QCAQFPUWNFFWRH-PMACEKPBSA-N 478.663 1.122 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCN(CCC)C2)CC1 1760271287 SMONDKMCYIEAGD-LJQANCHMSA-N 497.669 1.967 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1760280083 HQWOLBANKIXDLI-KRWDZBQOSA-N 470.603 1.501 30 10 JDEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1760283257 HDYKAHYJUJVJTP-UHFFFAOYSA-N 465.627 1.927 30 10 JDEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760284811 RQLDMPZZPLTMEV-GOSISDBHSA-N 456.547 1.847 30 10 JDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCS(=O)(=O)CC 1760306610 GSNJDROUTZFSTL-UHFFFAOYSA-N 460.354 1.785 30 10 JDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(NC(C)=O)CC1 1760355264 DFKIVYNZYDFGFT-UHFFFAOYSA-N 465.558 1.890 30 10 JDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCN(C(C)=O)CC1)C1CC1 1760469351 FUTSDDDZMWPKHJ-UHFFFAOYSA-N 472.615 1.668 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2nnc(C)s2)C1 1760542822 KGJPAPGWXFKLHY-JKSUJKDBSA-N 452.606 1.754 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1760557473 MOMLSHIEDZMTKL-HKUYNNGSSA-N 459.572 1.481 30 10 JDEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760563958 JSBAEANOIQRIEY-UHFFFAOYSA-N 457.604 1.741 30 10 JDEE Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](c3cccc(C#N)c3)C2)on1 1762679732 HEJICOTXDNIKKC-BEFAXECRSA-N 471.543 1.683 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN2CCCCC2)CCO1 1769241217 HONWMUISISXQIB-GHTZIAJQSA-N 451.575 1.890 30 10 JDEE COC(=O)C1CCN(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cccc(C#N)c3)cc2)CC1 1858987729 JQIWDDXAAVVFPB-UHFFFAOYSA-N 498.561 1.814 30 10 JDEE CC[C@@H](NC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1)C(=O)Nc1cccc(C#N)c1 1866655217 KDRMMNDYLYAJQA-WOJBJXKFSA-N 489.575 1.666 30 10 JDEE C=CCn1c(C(=O)N2CCN(CC)CC2)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873562599 KSPQJIFKLRWLBN-UHFFFAOYSA-N 455.563 1.674 30 10 JDEE Cc1ccccc1N1C[C@H](C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)CC1=O 1889423151 KOYLDYOFQGFYFO-JOCHJYFZSA-N 452.599 1.606 30 10 JDEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc(S(C)(=O)=O)cc3Cl)CC2)CC1 1889472136 AVZQTFHIPUMIRD-UHFFFAOYSA-N 468.019 1.616 30 10 JDEE Cc1nc(I)c(NC(=O)C#CC(C)(C)N)c(I)n1 2082716735 FUOIZQTVNZDMOR-UHFFFAOYSA-N 470.052 1.673 30 10 JDEE CC(C)(C)OC(=O)NC1CC2(C1)C[C@@H]2C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256641872 ZJEDPVDDVRRBOL-MQRPBKCYSA-N 450.370 1.891 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H]([S@](C)(=O)=NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267136016 HXDLBTWTWAVEPK-FZAOIFNZSA-N 468.385 1.956 30 10 JDEE CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268637167 KGJWPOOINORJLN-GFCCVEGCSA-N 464.357 1.057 30 10 JDEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282188174 RUTGQYXWQMCFAB-OAHLLOKOSA-N 462.356 1.484 30 10 JDEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2282579758 JFQICPNNSPJYFF-UHFFFAOYSA-N 463.388 1.334 30 10 JDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1[C@H](O)[C@H](O)CN1C(=O)OC(C)(C)C 2282584922 XRJPMYBGIYENGS-INMHGKMJSA-N 482.408 1.427 30 10 JDEE Cn1cc(C(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2282589374 MZPKDWHHJBVLLD-UHFFFAOYSA-N 463.388 1.002 30 10 JDEE Cc1c(C(=O)N(CCO)CCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282599704 UDMHXQAYFRJXPQ-UHFFFAOYSA-N 466.388 1.377 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CN(Cc4ccccc4)CC[C@H]3C2)n1 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CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CC1 2337399985 MOADNRJDFPZOHO-UHFFFAOYSA-N 466.413 1.725 30 10 JDEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N1CC(B2OC(C)(C)C(C)(C)O2)=CCC1(C)C 2344184382 LBNYNZRFJYJALN-UHFFFAOYSA-N 454.373 1.803 30 10 JDEE C=CCOC[C@H](O)CN1CCO[C@H](CN2CCCN(C(=O)Cc3ccc(OC)cc3)CC2)C1 105038217 ONZXTMHZOMBZQE-ISKFKSNPSA-N 461.603 1.036 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2OC(F)F)CC1 512718721 RTYRSLJEXICLEX-QGZVFWFLSA-N 450.486 1.339 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1CCN1CCOCC1 514648707 QCZPUGBHPLYTNT-UHFFFAOYSA-N 492.523 1.066 30 10 JDEE C#CCN(C(=O)c1cnc2c(cnn2Cc2ccc(OC)cc2OC)c1)[C@@H]1CCS(=O)(=O)C1 729334034 GUQFAKGDSMYNRG-LJQANCHMSA-N 468.535 1.759 30 10 JDEE CCc1cccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3cnn4ccccc34)c2=O)c1 729670519 VAOSQNZBSJXLHJ-UHFFFAOYSA-N 473.558 1.375 30 10 JDEE N#CC(C(=O)Nc1ccccn1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1cccnc1 729672776 HXGQIFKNXNEGKY-UHFFFAOYSA-N 493.552 1.732 30 10 JDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)Cn1c(=O)nc(O)c2ccccc21 857842825 GUOCLIYLSHEBMX-OAHLLOKOSA-N 450.451 1.989 30 10 JDEE C=C(C)C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)C(=O)OCC 1133157101 FPFKCFOSQJBDFY-DOTOQJQBSA-N 450.513 1.638 30 10 JDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 1136476158 HMMXLUCSTJGNHC-AWEZNQCLSA-N 457.512 1.333 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H]3CCCN(C(C)=O)C3)nnc12 1161261464 RXDKEPZKJGTKGS-MRXNPFEDSA-N 454.556 1.697 30 10 JDEE C=CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)[C@H](C)COC 1166476216 CMGXSNXVFBEYJG-QGZVFWFLSA-N 455.552 1.488 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1286381473 MQBOKWBDYOVCSI-STSQHVNTSA-N 486.598 1.900 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1286393236 QFRDBXMZHPUERD-GOSISDBHSA-N 454.556 1.798 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)CCOC 1286427776 MFYOENXBLFVLKI-YADARESESA-N 475.590 1.837 30 10 JDEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286447140 ZAPMZEDTEFOZHF-QFIPXVFZSA-N 481.619 1.402 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1286476273 SIFTYXLKBKHHGS-QFIPXVFZSA-N 465.646 1.983 30 10 JDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1286478826 LKTFSRTZQQITFX-QGZVFWFLSA-N 478.569 1.326 30 10 JDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCCN2CCC[C@H]2CO)CC1 1286482304 PTTSMHQMWACVSU-NRFANRHFSA-N 457.648 1.626 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1286491628 ZMLOLKQDKGQXFD-UHFFFAOYSA-N 484.626 1.587 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](C)N(C)C)CC1 1286492934 LAAFBYAMVTWHKS-IBGZPJMESA-N 479.633 1.368 30 10 JDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1286506701 KYPLVMYQOQXDQK-NRSPTQNISA-N 460.648 1.875 30 10 JDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286538569 QKMDUQLQZAZWFN-KRWDZBQOSA-N 467.412 1.825 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286562787 STSXEFNYJLIVBO-LPHOPBHVSA-N 463.608 1.568 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1286608600 RYEIEECMPNRYBT-YLJYHZDGSA-N 452.581 1.334 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1286785723 QXJIAZSXHMKCPO-KDURUIRLSA-N 453.591 1.968 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1286802868 DVIGLJLXWNGTOX-WOIUINJBSA-N 468.620 1.925 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)cc2F)C1 1286808715 DUJZJJHFZHFSMH-PKOBYXMFSA-N 483.541 1.719 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1286815680 YTJRDROSORRHSD-OAQYLSRUSA-N 475.615 1.856 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC(=O)N(C)C[C@H]1C 1286823455 NRGPLGIATRZCLF-OAHLLOKOSA-N 451.524 1.264 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1286824234 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C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1300500766 CZJQRZAIGIFYME-IBGZPJMESA-N 492.671 1.679 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1300692309 DEGYNHZUNSLJME-GOSISDBHSA-N 458.588 1.133 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)CC=C)CC1 1300718971 JLUKLONTHDYUCX-UHFFFAOYSA-N 476.990 1.560 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CC[C@@H](OC)C(F)(F)F)CC1 1300722813 LQGITIGZXMDSNK-QGZVFWFLSA-N 496.490 1.939 30 10 JDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1301251738 HPIGLQKWLCZERE-MRXNPFEDSA-N 451.531 1.452 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1301458313 RFXAPXZNEPCCJO-RCCFBDPRSA-N 496.634 1.537 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1301587365 UOEPYELDVCYDKM-QFIPXVFZSA-N 487.674 1.469 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1301648599 CWPXEENLFYPVMX-MBOBHEEDSA-N 464.530 1.171 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(O)CCS(=O)(=O)CC1 1301967375 CGSBMFKWLZEHHS-CRAIPNDOSA-N 461.544 1.326 30 10 JDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)C1 1302433898 DTLSEZWEPXMZOG-OAHLLOKOSA-N 452.487 1.211 30 10 JDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCN(C)C(C)(C)C2)cc1C 1304382389 GOAKKWPXOYXLMX-NRFANRHFSA-N 480.617 1.902 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2COC3(C2)CN(C(=O)OC(C)(C)C)C3)c1 1309674406 PYUPTKIGJFSKBO-MRXNPFEDSA-N 451.545 1.659 30 10 JDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1358915714 MXXDQKACGXWNFA-UHFFFAOYSA-N 483.617 1.144 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1358955366 KNSVELFEZMHXKS-RBUKOAKNSA-N 464.636 1.308 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1358956512 GWRYEXACWGMEDG-HRAATJIYSA-N 479.628 1.624 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(S(C)(=O)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1358961103 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C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCOC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1507626226 DMNHEPZUUVFYQZ-IRLDBZIGSA-N 483.594 1.887 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1507631209 CALBVDMVHPIBSR-ROUUACIJSA-N 463.604 1.453 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CCNC(=O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1507635758 VDAUKFWDTZYISG-QGZVFWFLSA-N 473.580 1.580 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)N(C)C 1507710976 MVTFEFCMKMFZGB-SFHVURJKSA-N 498.650 1.370 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCN1CCCS1(=O)=O 1507769401 FBFXIBMSMPFTJW-HXUWFJFHSA-N 462.601 1.297 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C(=O)OC(C)(C)C 1507820417 CVKGEAJKWIJFSI-KRWDZBQOSA-N 486.639 1.880 30 10 JDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1507928501 GSFYKSTYYHFXSP-UHFFFAOYSA-N 452.563 1.691 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1507955193 WBAUORQPLHELOH-KRWDZBQOSA-N 479.607 1.827 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(C)C)CC1 1508143048 CYLYSIIUARYPOE-UHFFFAOYSA-N 451.618 1.836 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1508145793 PWYCDJPEHSEZSO-UZLBHIALSA-N 474.649 1.422 30 10 JDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCS(=O)(=O)C1 1509302220 HNQIWLWFLGYWFE-IAGOWNOFSA-N 457.622 1.381 30 10 JDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@@H](C(F)(F)F)O1 1512402626 BEQVEEBBNNADFF-DOMZBBRYSA-N 458.466 1.522 30 10 JDEE CCc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)s1 1513663594 DITYCKYJGSNEJV-LPHOPBHVSA-N 468.580 1.725 30 10 JDEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CCC1 1515974639 ABJVRCOLPZTJOO-SFHVURJKSA-N 456.572 1.746 30 10 JDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1518629326 CESITZANBZDNEE-FRQCXROJSA-N 451.531 1.982 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccs1 1519164226 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C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1588035659 WNYCKYLNYFKEQV-ZVDOUQERSA-N 474.583 1.632 30 10 JDEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1588040306 LOQQFVIGIYHONV-QGZVFWFLSA-N 455.540 1.796 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCn1cc([C@@H]2CCOC2)cn1 1588259227 WFRUKPYHHBQYES-URVUXULASA-N 452.559 1.866 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1588628562 LBOUHEJORPHGSO-KRWDZBQOSA-N 453.469 1.474 30 10 JDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1588858176 YOXAEZJLMOYRAT-UHFFFAOYSA-N 459.554 1.369 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(CC)CCC2)CC1 1588891083 LELVNCLWXXHECH-MRXNPFEDSA-N 450.609 1.434 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCC2)C1 1589494975 OVSKDLXZWUYSCT-YRPNKDGESA-N 466.652 1.934 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1594096754 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C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CNC(=O)OC(C)(C)C)C1CC1 1690544809 BQRUPUDFPDOTJU-AEFFLSMTSA-N 498.650 1.927 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1690602775 WHJJRDNGZFXMFR-XMMPIXPASA-N 496.593 1.710 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC2(CCN(C)C2=O)CC1 1690662260 WUKFFMVMUJHJEZ-UHFFFAOYSA-N 476.379 1.787 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC(C)(C)O[C@@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1690731566 MFRKMTOHTQFDMJ-VXKWHMMOSA-N 484.619 1.305 30 10 JDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C[C@@]2(CCOC2)O1 1693828349 FDPPBOCPHPXAOM-QVKFZJNVSA-N 494.474 1.791 30 10 JDEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CC1 1696958679 IAUFLCMUHRLNIB-UHFFFAOYSA-N 453.547 1.463 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1705560025 HLNLWBNGHZUGFP-OALUTQOASA-N 485.614 1.427 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1705560953 MBEOZDKCHBSBEI-LJQANCHMSA-N 469.527 1.685 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1705561241 OKGJXCIXSVUOBZ-CYBMUJFWSA-N 454.350 1.187 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1705563082 QNLLOHATCVGCEW-ZWKOTPCHSA-N 476.555 1.004 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1705568354 LWQOEINLQXKGEL-HXUWFJFHSA-N 493.593 1.754 30 10 JDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC[C@H]1COCCO1 1705600714 JTNZIUNNXPUQSV-VWLOTQADSA-N 476.625 1.911 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@@H]2NC(=O)CC2(C)C)n1 1705631445 FSVJFRSBEKIRNH-FQEVSTJZSA-N 464.574 1.681 30 10 JDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1705662815 MBFPLOYEEZNBTB-FQEVSTJZSA-N 467.643 1.763 30 10 JDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1705761843 CGGWUMKMEFLABO-LPHOPBHVSA-N 479.969 1.812 30 10 JDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705822418 DJHWYFRFKVOKIS-UHFFFAOYSA-N 471.631 1.980 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1S(C)(=O)=O 1705880695 NEIYIXSXANCWOU-AEFFLSMTSA-N 462.576 1.481 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705938209 QCAUZYRTDKKFEO-LJQANCHMSA-N 477.587 1.026 30 10 JDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1710975987 CVUCSGRVXIAONW-HXUWFJFHSA-N 485.614 1.689 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCOC2)c1 1722306996 IJHRXAMAAVOXOA-DEOSSOPVSA-N 494.577 1.477 30 10 JDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722323680 HDYOQOJGFIDDOP-GOSISDBHSA-N 495.975 1.807 30 10 JDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1722337478 BHAZFXYWCCZTTP-QFIPXVFZSA-N 498.609 1.773 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1722364432 ZTIVGMSVYXNSQE-KRWDZBQOSA-N 459.572 1.495 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722365476 DRGWPPDUGGABKF-RTBURBONSA-N 492.623 1.172 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCOc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 1722368664 UJRHGZNVDSGJQD-KRWDZBQOSA-N 460.556 1.911 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1722437111 PREVJQQJPKVPFJ-FQEVSTJZSA-N 454.550 1.425 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1722438101 ZDDIBAHUXNYWSS-NRFANRHFSA-N 457.600 1.890 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1722449865 RWZGXDHJGFXKRR-UHFFFAOYSA-N 499.637 1.615 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)C(=O)NC)CC1 1722450230 AKMCDWSCKQNNQL-UHFFFAOYSA-N 470.549 1.734 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)N(C)C)c1)C1CC1 1722651132 QCVLGLXIKFHZLA-HXUWFJFHSA-N 488.614 1.516 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1722699435 UTIPEWLQQBBALJ-KRWDZBQOSA-N 458.538 1.949 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1722702573 PYJJNKZTKLTTOV-GOSISDBHSA-N 468.533 1.941 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722705765 HMHIKVNWLSEMDX-IBGZPJMESA-N 488.976 1.640 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1722714098 GNSMCZBKPPTGPR-ICSRJNTNSA-N 456.572 1.880 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1722731047 BVIANTTWGXROJM-QHCPKHFHSA-N 493.605 1.898 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1722737292 ZTXMDBAAHXZWOG-UHFFFAOYSA-N 469.619 1.674 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC1(O)CCCC1 1723942038 AYCHHRMKBTUZAH-SFHVURJKSA-N 487.630 1.782 30 10 JDEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@](C)(C#N)C1 1729344300 CGPWXSYBSKWBCU-OAQYLSRUSA-N 457.560 1.750 30 10 JDEE CNc1cc(N2CCC[C@@H]2Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@@H](C)C#N)ncn1 1729736737 APRDXWRYVNAXRP-DLBZAZTESA-N 452.567 1.611 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccc(C(F)(F)F)n1 1740552480 OEGHEZQECLSGFH-UONOGXRCSA-N 487.508 1.120 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2nc(C)ns2)CC1 1740581255 SZMOZBBDJYNKPG-CQSZACIVSA-N 452.610 1.178 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1740617557 SUZNTSNTPNVPFD-WMZOPIPTSA-N 477.562 1.709 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2-n2ccnc2)CC1 1740701256 ZTVDREMQZBZRMB-UHFFFAOYSA-N 474.569 1.616 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1740707607 IUUKZWGZZDUUMG-VWLOTQADSA-N 482.654 1.911 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CC[C@H](CO)O2)CC1 1740707827 RMVKVMRMJWPJIE-RBUKOAKNSA-N 471.533 1.502 30 10 JDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740715594 CLBTYUGQMOLVMC-HNNXBMFYSA-N 487.611 1.478 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCCOC)CC1 1740750323 PEKFJPRTCYTANW-LEWJYISDSA-N 488.633 1.864 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC(F)(F)F)CC1 1740751357 JCOGVMLJSFDMOW-ZACQAIPSSA-N 494.584 1.944 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1740932117 HLFMEXZQBFVXEF-JKSUJKDBSA-N 463.526 1.622 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1740962274 XUDCIXZCQHCLOO-UHFFFAOYSA-N 454.604 1.570 30 10 JDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1740962768 NWBYUBKXVYAVCK-UHFFFAOYSA-N 465.602 1.910 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H]1c1nncn1C 1740963032 XHYDNIPINSZRKE-IBGZPJMESA-N 450.547 1.844 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)CC1 1741001903 DOVYLBJPUKQDNP-FXAWDEMLSA-N 473.665 1.926 30 10 JDEE CC(=O)N1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)C1 1741026367 DMVXTJOHHILPPM-OXFYSEKESA-N 451.597 1.277 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1748821320 PCVJACZJMMOKPC-NRFANRHFSA-N 472.611 1.622 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1748824530 PWAXWZXNUMUPFT-VQTJNVASSA-N 487.626 1.834 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC1CCOCC1 1748892997 ZYPJGIMRCNTTPN-FQEVSTJZSA-N 463.604 1.281 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCn2ccnn2)CC1 1749003409 JAUOCAOJINKEMZ-UHFFFAOYSA-N 463.502 1.501 30 10 JDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1749037444 DVTLVICJFBBMCA-VQTJNVASSA-N 460.648 1.671 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1749130261 KAMHDDNELQJNRB-HCXYKTFWSA-N 481.619 1.876 30 10 JDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1749199594 UZXCMBPARICIFP-VQTJNVASSA-N 457.623 1.794 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1749658378 OMEZQWWOFQJCKW-QGZVFWFLSA-N 474.009 1.937 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1749670125 RPKLPQMTYPRZRB-BBWFWOEESA-N 460.579 1.981 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1760154519 FTSFNGHFOUHXPZ-MOPGFXCFSA-N 491.614 1.627 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1CCC(F)(F)CC1)[C@@H]1CCS(=O)(=O)C1 1760179131 MWHNWJIKKUCWLK-QGZVFWFLSA-N 469.558 1.966 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCCC1 1760219742 MDYAZWZMQBNUAA-LJQANCHMSA-N 463.604 1.159 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCO[C@@H](C)C2)n1 1760251977 IQSAFQDNGPPGLU-BJLQDIEVSA-N 455.563 1.527 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCO[C@H]2CCCC[C@H]2C)CC1 1760269213 BQFPXMXGEVJJNJ-NRSPTQNISA-N 491.658 1.741 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1760281468 NDTVWGKFSDSGEQ-OAHLLOKOSA-N 472.596 1.832 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCNS(=O)(=O)c1ccccc1 1760299157 KJBDSVRBAVNROW-GREBRCKQSA-N 473.599 1.973 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1760433266 QVYPQUMVXQXOMP-ZWKOTPCHSA-N 451.597 1.573 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760517225 GXGFLSYRJBWRSW-UHFFFAOYSA-N 485.976 1.172 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CCNC(=O)C1 1760557152 BJJDFKAMFPFZOB-UHFFFAOYSA-N 484.376 1.157 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1760566622 YWDZTXQMMHFMAK-QZTJIDSGSA-N 498.675 1.121 30 10 JDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)C1 1760655109 CHUCUWGVDJJBOS-LJQANCHMSA-N 470.599 1.994 30 10 JDEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1760660889 IAKUGILNDLKUJE-WMZHIEFXSA-N 470.599 1.949 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCn2cc(Br)cn2)c1 1770735029 BMZWULVYNPGGQC-UHFFFAOYSA-N 476.360 1.711 30 10 JDEE C=CCN(CC=C)c1nc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n([C@H]2CCS(=O)(=O)C2)n1 1870004706 IGSBRBVXSCWWMI-UXHICEINSA-N 498.609 1.803 30 10 JDEE CNC(=O)COc1cn(CCOCCO)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870304516 UHOHUEMSBWKLCR-UHFFFAOYSA-N 460.556 1.466 30 10 JDEE CCCCCCCOc1cn(CCCN2CCOCC2)c(CN(CCO)CCO)cc1=O 1870413153 SZKGUXDBRDPVRZ-UHFFFAOYSA-N 453.624 1.706 30 10 JDEE CCOC(=O)c1sc(C2=C(N)N(Cc3ccc(S(N)(=O)=O)cc3)CC2=O)nc1C(F)(F)F 1872795957 GAZVCXCXGPWLTE-UHFFFAOYSA-N 490.485 1.698 30 10 JDEE C[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H](C)NC(=O)OC(C)(C)C 2255748974 LTTSIMMHOCPCST-OLZOCXBDSA-N 458.390 1.299 30 10 JDEE CC(C)(C)OC(=O)Nc1cnn(CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)c1 2256677225 BPXIKXCNHRDUDK-UHFFFAOYSA-N 450.330 1.441 30 10 JDEE CON(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267123376 UHDNNZHZGGLSCP-CYBMUJFWSA-N 451.333 1.127 30 10 JDEE Cn1cc(C(=O)N[C@@H]2C[C@@H](F)CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267184398 MJWQIEXGTLLAIL-ZIAGYGMSSA-N 452.336 1.797 30 10 JDEE CC(C)(C)OC(=O)NCCc1nc(=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)s[nH]1 2267522332 WJZBEMQNPRXQSB-UHFFFAOYSA-N 464.357 1.302 30 10 JDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)OC1(C)C 2267706559 AUEUDUBZTADLLG-DZFIZOCASA-N 475.445 1.992 30 10 JDEE CCOC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2268613811 ZCDVKQIVMKMUSR-HNNXBMFYSA-N 450.345 1.953 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268642162 QXOYYLKUYVDORE-CHWSQXEVSA-N 468.385 1.518 30 10 JDEE CC1(C)OB(c2n[nH]cc2C(=O)N2CC[C@](CNC(=O)C(F)(F)F)(C3CC3)C2)OC1(C)C 2281932323 ZXXAUIMLESSJKH-LJQANCHMSA-N 456.274 1.630 30 10 JDEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2281982681 ONSMLLYTAZDNQT-CQSZACIVSA-N 464.372 1.589 30 10 JDEE Cc1c(C(=O)N2CC[C@@H](C)[C@H](NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281984364 CCUUNHVOILYART-DGCLKSJQSA-N 458.290 1.557 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2CO)n1 2282039431 VGRQTIWRRRJEEG-HOCLYGCPSA-N 464.372 1.067 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282046805 QASYJCKEZTXMPO-LSDHHAIUSA-N 465.331 1.620 30 10 JDEE CC1(C)OB(c2cncc(S(=O)(=O)N3CCC(CNC(=O)C(F)(F)F)CC3)c2)OC1(C)C 2282353894 ZDNGYJOWBXXPSY-UHFFFAOYSA-N 477.314 1.460 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282830298 RIXOJJBQLDSWGF-GOEBONIOSA-N 484.428 1.643 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2282850332 NRHPBOLADZLIJJ-CQSZACIVSA-N 482.412 1.397 30 10 JDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282851363 ANZASCPEMPVXFH-QZTJIDSGSA-N 482.408 1.898 30 10 JDEE Cc1nc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)n1C 2341928860 AHQGWSZZPCZGCX-AWEZNQCLSA-N 463.365 1.692 30 10 JDEE CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncccc1B1OC(C)(C)C(C)(C)O1 2369304659 ZOICGSWREXHONJ-MRXNPFEDSA-N 460.384 1.943 30 10 JDEE NC(N)=NCCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O 33782687 XHGIWCXAACQYGK-MOPGFXCFSA-N 455.515 1.147 30 10 JDEE biogenic CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2cc(OC)ccc2OC)[C@H](C#N)C(=O)N3)CC1 72444603 DDQYIWYQRBJHGA-FUHWJXTLSA-N 481.509 1.790 30 10 JDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccc(N(C)C)cc2)[C@H](C#N)C(=O)N3)CC1 72444681 VPOHCMDNEXGVMW-ROUUACIJSA-N 464.526 1.839 30 10 JDEE COS(=O)(=O)Oc1ccc(N(C)CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1 97943137 NJPJEJPAMPPXSX-INIZCTEOSA-N 467.525 1.761 30 10 JDEE CCCCCCCCCCCCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)C[C@@H]1NCCNC1=O 100020538 MVFHDRRXIONFLR-VQTJNVASSA-N 466.623 1.646 30 10 JDEE C=CCn1c(SCC(=O)N(C)CC(=O)N2CCOCC2)nnc1[C@@H]1COc2ccccc2O1 503701268 PTSCTSKVEAPFRG-SFHVURJKSA-N 473.555 1.386 30 10 JDEE COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 507503978 NZYSGRZQGUZZQJ-UHFFFAOYSA-N 483.955 1.693 30 10 JDEE C#C[C@@]1(O[C@H]2O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@H]2O)CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]21C 575416086 SQQXJBRONRGLRT-DIYWXNQDSA-N 472.534 1.529 30 10 JDEE CC1(C)S[C@@H]2[C@H](NC(=O)C(=NOC3CCCC3)c3csc(N)n3)CC(=O)N2[C@H]1C(=O)O 602989845 KNTUUEGDGYZCIA-FUEDEBDSSA-N 467.573 1.410 30 10 JDEE COc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn3ccccc23)c1=O 729670423 FSVPWKKZSFOTGR-UHFFFAOYSA-N 457.515 1.337 30 10 JDEE CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CSc2nc(O)cc(C(F)(F)F)c2C#N)CC1 857287149 BDLDEPKSKSSTJM-SNVBAGLBSA-N 460.434 1.392 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc3c(c2)CCN3C(=O)CC)c1 919020579 LKDHDPFVTHDKDP-UHFFFAOYSA-N 454.504 1.937 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cncc(Br)c3)cc2C1=O 920796002 QYLPRDKKXWFQLN-UHFFFAOYSA-N 450.270 1.745 30 10 JDEE CCc1nnc(NC(=O)CSc2nnc(NN=Cc3ccc(C(=O)OC)cc3)n2N)s1 1084571519 NYZDUSSVYRVZLM-UHFFFAOYSA-N 461.533 1.369 30 10 JDEE CCOc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 1161143056 GEHWKJQNPLDXPY-HXUWFJFHSA-N 456.524 1.547 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)CC1 1175515260 UXODPNBWHMRNBU-SFHVURJKSA-N 456.609 1.462 30 10 JDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)c(I)c1 1208449491 NVKUTZOLZDHIDN-LBPRGKRZSA-N 453.323 1.411 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1286298145 GCGQFNRGANMINU-KSFYIVLOSA-N 481.619 1.400 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1COc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1286379948 FGTBUSKLBXLJCS-IEBWSBKVSA-N 485.610 1.999 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286385967 RTKJAAZNKYFCNN-FUHWJXTLSA-N 477.562 1.662 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)c1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1286388675 ASFFSPBHVNQXSH-AZUAARDMSA-N 485.610 1.842 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(SC)CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 1286389383 IYORQGSNIDCCSR-QGZVFWFLSA-N 475.644 1.189 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCN1CCN(C)C(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1286390926 APILEXMJHUHCIW-LJQANCHMSA-N 450.653 1.129 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1286396887 WZYCXOXKKORFFH-QGTPRVQTSA-N 495.627 1.215 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CC[C@H](CO)O1 1286418597 MLJCUPXUWKFJEG-RBUKOAKNSA-N 454.527 1.974 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCCN2CCCC[C@@H]2C)CC1 1286472022 PXWZEYJBRPSZRV-PMACEKPBSA-N 465.668 1.298 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1286541156 HMYKFPNRHIRCMG-QGZVFWFLSA-N 467.412 1.825 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1286607140 BPMMECJDFRDJFZ-PMACEKPBSA-N 478.619 1.492 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1286612581 WIMAHFUQXQRTJB-UXHICEINSA-N 483.635 1.743 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1286821713 SUIYMJTWCSSTPR-OAHLLOKOSA-N 486.520 1.370 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(CC)[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286825518 RSIWDUSQPNZOKN-WIYYLYMNSA-N 455.625 1.450 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286831781 CHTCHSJBJKFFJQ-INIZCTEOSA-N 491.705 1.350 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](c1c(F)cccc1F)N(C)C 1288825084 APZCZZCINUQREH-GQWAEJPESA-N 485.536 1.911 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC(C)C 1300327672 DSKVOIKYXLCVPV-YESZJQIVSA-N 468.624 1.835 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](SC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300479104 IHZDWKGNADCYQI-HOTGVXAUSA-N 455.650 1.821 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1300488936 XMVLMQZPRIMESD-IBGZPJMESA-N 485.610 1.983 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@](C)(O)C(C)C)CC1 1300688936 MVFODZZUYCIPNE-QHCPKHFHSA-N 474.631 1.358 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2NC(=O)CC2(C)C)CC1 1300710157 UQFZSUGCKRBIGK-OAQYLSRUSA-N 466.586 1.926 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCOCc2ccc(OC)cc2)CC1 1300725771 JVUGDUWFVIBKKP-OAQYLSRUSA-N 467.570 1.973 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1301223113 NAQQRNFTIRCURM-IBGZPJMESA-N 486.602 1.170 30 10 JDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1301238981 IZZLZPWAXMNMRO-LJQANCHMSA-N 482.589 1.261 30 10 JDEE COCC[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1315963109 CZSNESGJJLSAIW-VWLOTQADSA-N 483.617 1.788 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)CC1 1316139768 BSWFTPYIYVZZSU-UHFFFAOYSA-N 488.614 1.322 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358958366 MRQOHMDEXDRJGS-FQEVSTJZSA-N 485.610 1.983 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1358958388 NDIFBEYSWSPYQZ-FQEVSTJZSA-N 455.584 1.842 30 10 JDEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1358958446 OARGFARBYQUBJI-INIZCTEOSA-N 490.387 1.511 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1358966197 JQMWWJRKRMACQN-ZWKOTPCHSA-N 489.573 1.634 30 10 JDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccn(CC)c1=O 1359007011 RCYJPPDXHCIAQO-UHFFFAOYSA-N 453.572 1.928 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2nc(C(F)(F)F)cs2)CC1 1359044574 JGJKVTBNXYSPAC-AWEZNQCLSA-N 495.531 1.913 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(O)cc2)CC1 1359091876 UDMDKSJIEYXELB-WFXMLNOXSA-N 490.630 1.902 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC1 1359277048 ASCXZFQUHTUIAM-IEBWSBKVSA-N 465.576 1.476 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1359300312 YWCNDWINVQFZAX-LJQANCHMSA-N 456.522 1.810 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@]2(CCOC2)C1 1359327472 CBHFDBKGURHXPQ-SFHVURJKSA-N 486.392 1.632 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1359330970 IOMZEEXUWVJCBI-HNNXBMFYSA-N 455.544 1.389 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1359331906 KINAHELFEJCSCG-SFHVURJKSA-N 489.598 1.452 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1359343573 WJIBLQUBPBNSNF-FUHWJXTLSA-N 481.648 1.258 30 10 JDEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)C1 1464492773 BSQLQEBGKMTUGI-QRVBRYPASA-N 453.630 1.729 30 10 JDEE Cc1c(C)c(C)c(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC2)c(C)c1C 1474787191 DKZITFRORJQGIG-CQSZACIVSA-N 456.634 1.871 30 10 JDEE CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 1502310601 CKIWBIQETHSZFF-AUSIDOKSSA-N 480.617 1.184 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCC2(O)CCOCC2)c1 1507548312 QVTFQWBDOVHNSD-UHFFFAOYSA-N 480.569 1.502 30 10 JDEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1507560651 MFQYFVNZPPZKMW-UHFFFAOYSA-N 477.569 1.773 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1507624439 AFKKQJXTJZCDPN-OXJNMPFZSA-N 465.601 1.450 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccnc1)C(C)C)[C@H]1CCS(=O)(=O)C1 1507631080 BDKCGZPXALUMQA-UFYCRDLUSA-N 470.599 1.691 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(C(=O)OC)CC1 1507703245 RXHRHAIKEXNCRH-UHFFFAOYSA-N 455.519 1.490 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CCN1CCCS1(=O)=O 1507709602 WESYDJXTZRWHMV-UHFFFAOYSA-N 454.556 1.615 30 10 JDEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507848608 POXLLJCQDXGZNU-UHFFFAOYSA-N 484.557 1.979 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1508083853 DAOAJRWEFURASJ-IEBWSBKVSA-N 459.620 1.483 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1508085262 FWYPQWRERWBNEK-UHFFFAOYSA-N 492.628 1.852 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2nccs2)C1 1508090813 IWGOIBNDGSDKIV-AWEZNQCLSA-N 473.584 1.606 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C(=O)OC)C1 1508136927 WTTULJHAALAPJE-GFCCVEGCSA-N 472.365 1.636 30 10 JDEE CCc1ccc([C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)N(C)C)cc1 1513625735 BUEMBYPFILZMCT-LEWJYISDSA-N 451.575 1.995 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1539201125 WQXLUZHKYWVPEZ-GOSISDBHSA-N 459.547 1.523 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539230916 RLRSWQHPWAKMFN-YKSBVNFPSA-N 485.610 1.325 30 10 JDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)NCC)CC1 1539516726 BCJURTLFETXGNP-UHFFFAOYSA-N 483.646 1.670 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1539541587 JLDCLDYCKQRPEF-QIJUGHKUSA-N 465.620 1.735 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCC1 1539556453 CUCCFWYZDYMLQJ-WIYYLYMNSA-N 450.609 1.089 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1540868172 UUJXSLZACOJFIS-UHFFFAOYSA-N 462.558 1.989 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1540869832 YLTJASIGPDDFII-GOSISDBHSA-N 452.563 1.533 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1540871070 COFGRSYXMLQRMA-YLJYHZDGSA-N 468.558 1.834 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)COC)CC1 1540874995 YJJWDLHFHKIJLW-UHFFFAOYSA-N 456.547 1.071 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1540892676 QBIXFWRPJHPFCU-IRXDYDNUSA-N 497.618 1.255 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1540901410 CILLHOJJBAYMAG-UHFFFAOYSA-N 495.609 1.675 30 10 JDEE CN(C[C@@H]1CCCOC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1554231018 GUMNXAOHKZDNKX-MOPGFXCFSA-N 458.588 1.961 30 10 JDEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cccn2)C1 1555814234 BBGACUGPTZUAFF-LJQANCHMSA-N 468.587 1.869 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1588064180 CEBQMWNZOJCCJS-SFHVURJKSA-N 456.959 1.987 30 10 JDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN(CC)S(C)(=O)=O 1588314630 LJWRZPYDULQLSL-UHFFFAOYSA-N 457.560 1.725 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCN(c2ccncc2)CC1 1588388186 YKZCBDXXVCNUJC-FQEVSTJZSA-N 471.631 1.247 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1ccnc1 1588647481 VRUJWLYKVUPWRT-LJQANCHMSA-N 454.556 1.500 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(F)cc2Cl)CC1 1588742383 RGMHAHKPNAKGNN-HNNXBMFYSA-N 468.986 1.679 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cnn(CC)c2)CC1 1588836369 IAEJXJWIRFXJGY-HXUWFJFHSA-N 484.605 1.606 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1595523335 UMDPIVBOCGWNNE-SFHVURJKSA-N 469.565 1.519 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1595778397 ZCGROFCIFPUHBV-SFHVURJKSA-N 489.598 1.764 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1595884578 NPNNLLBGPMNYOC-QGZVFWFLSA-N 468.649 1.437 30 10 JDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1597846806 FVUGGEYIRHXVEG-SFHVURJKSA-N 474.587 1.504 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2c1OCCCO2 1611307385 BXOVOETWQSJAFG-APWZRJJASA-N 490.586 1.559 30 10 JDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1 1616566345 GATQEHLTFBTACP-TWEIKEKHSA-N 488.614 1.512 30 10 JDEE COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cc1Cl 1619272241 GKSPEADUFHVXBD-GXTWGEPZSA-N 454.940 1.327 30 10 JDEE CN1CCN(c2ncc(Br)cc2NC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 1635603931 DRKSONLFDNTCPH-UHFFFAOYSA-N 457.332 1.836 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1C 1689852974 NKIVMSAQLDWLDY-NSHGMRRFSA-N 461.588 1.845 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CC(=O)N2CCOCC2)c1 1689872175 QNGIZMGQCRHSDQ-FQEVSTJZSA-N 466.542 1.435 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1689978557 YPOIJQYEKLDYJI-IBGZPJMESA-N 471.583 1.588 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(OCCN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1689985858 CYUAXBZWQLCZGO-FQEVSTJZSA-N 482.610 1.889 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1689992313 JEYWSRYVBNLSOZ-WMZOPIPTSA-N 480.587 1.069 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2nnc(C)s2)CC1 1690138324 YPESEIJVFSHHQC-HSZRJFAPSA-N 487.630 1.687 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(CC)s2)CC1 1690145882 AIKYOHNBBPHWHL-KRWDZBQOSA-N 475.640 1.818 30 10 JDEE C=C(Br)Cn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1690235169 YXHQFDTVYNVTQG-KBXCAEBGSA-N 456.341 1.868 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCn2cc(Cl)cn2)CC1 1690411961 ZAPUUDJFOJHAIB-KRWDZBQOSA-N 469.999 1.564 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1690465124 SHOLCWVGMHMIEE-HXUWFJFHSA-N 461.636 1.982 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCC2)nc1 1690622291 MEDMVMBUVILYTJ-LJQANCHMSA-N 460.604 1.863 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690661823 IJRAIRPHPVOFKE-UHFFFAOYSA-N 497.419 1.482 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690676324 WSTYVYKKCBQZOY-QGZVFWFLSA-N 467.979 1.826 30 10 JDEE CS(=O)(=O)c1ccc(OCCn2c(-c3cccnc3)nnc2N2CCO[C@@H](C#N)C2)cc1 1698299121 APZSOJXDXKAPNT-SFHVURJKSA-N 454.512 1.551 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-n2cccn2)cc1 1705494606 CIOMRURRZPLJTF-FXAWDEMLSA-N 469.571 1.303 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1705560655 MITVHZRSEQWZGW-LPHOPBHVSA-N 489.573 1.710 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1705561016 MUDREDIGHQTCJB-OFAXGOBFSA-N 480.631 1.498 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1705563334 VKVPNBLQIOKQQU-ICSRJNTNSA-N 460.556 1.386 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CC1CCN(CCN(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1705564528 OWJWTNYOFACVGA-HSZRJFAPSA-N 484.670 1.845 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1705566265 MRGMITBQNOAIHT-ZDUSSCGKSA-N 482.360 1.541 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCC(O)CC1 1705587691 FQHDNGBBSDFLOD-UHFFFAOYSA-N 474.609 1.982 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1C 1705628415 GGNVVYHHRDUOIA-LJQANCHMSA-N 482.006 1.707 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(=O)N[C@H](C)CC)CC1 1705632406 OWLWGBJKXGPMAT-GOSISDBHSA-N 486.020 1.922 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1705649210 PCEJNQDFOLWUGS-IBGZPJMESA-N 451.575 1.508 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1705725570 IQQLMUCIKXESNX-IBGZPJMESA-N 463.608 1.609 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705895321 BQFCKCLYMZSSOZ-GOSISDBHSA-N 479.006 1.905 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Nc2ccccc2Cl)CC1 1705897307 KBJUBOYODIHQNS-OAHLLOKOSA-N 496.037 1.925 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC2(CCC2)C[C@@H]1CC 1705904525 RBZAIWMXAYPGJS-IRXDYDNUSA-N 466.608 1.072 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1705906936 UCZNAXOAGLOBKD-UHFFFAOYSA-N 496.591 1.971 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1705934252 GRJHJGPMJSDYBG-GOSISDBHSA-N 460.604 1.992 30 10 JDEE Cn1cc(Nc2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N2CCSCC2)cn1 1711256777 HBHCXTAIYDWERF-UHFFFAOYSA-N 458.573 1.672 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1722324998 CRKIGDMKPRUOGD-LJQANCHMSA-N 457.600 1.921 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1722370241 MHIMTOALEPPATL-ROUUACIJSA-N 461.588 1.443 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1722373616 OTZYODSZKIPGQJ-HNAYVOBHSA-N 469.489 1.411 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1722394556 WRZRVDXSYOYNNM-UHFFFAOYSA-N 478.578 1.715 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@H]2NC(=O)CC2(C)C)n1 1722428042 QCOPUVIVQOLYAD-LJQANCHMSA-N 465.562 1.076 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(N(C)C)Cc3ccccc3C2)CC1 1722431437 PEHCDBAHPWUYTP-OAQYLSRUSA-N 466.630 1.857 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1722453162 OPBFYHKUJMBMSD-NRFANRHFSA-N 495.653 1.710 30 10 JDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1722541426 MPKBHKNSYFDXQK-VQIMIIECSA-N 464.014 1.646 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(NC(=O)OC(C)(C)C)COC1 1722671717 BWKRZZKRQRCJTH-INIZCTEOSA-N 467.592 1.652 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1c(C)nn(C)c1C 1722693121 DKADJDIFMOUTJY-UHFFFAOYSA-N 471.587 1.638 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS[C@@H](C)[C@H]1C 1722697490 MAJQYYBGDBTJIV-CABCVRRESA-N 463.633 1.871 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1722724997 KCYLBMPTUXORDT-UHFFFAOYSA-N 492.577 1.119 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccc(F)cc2)n1CC(=O)NCC(F)F 1726641246 CHTHDMZRARCLHM-HNNXBMFYSA-N 499.501 1.766 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCNC(=O)c2ccco2)c1 1729342323 HXPIZFYZEGJWBT-UHFFFAOYSA-N 497.581 1.958 30 10 JDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1730624297 CHPGVJGWLPCIMG-QHCPKHFHSA-N 464.530 1.191 30 10 JDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1730624513 FEAOQEHMDYBTOX-CVDCTZTESA-N 453.547 1.645 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1740539790 VNBZTBUFXOJFGL-HTAPYJJXSA-N 461.588 1.687 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1740592057 SLWKXJAVQKLTRF-OAHLLOKOSA-N 477.509 1.372 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1740626275 SZVKHUNBKIAXHP-ZDUSSCGKSA-N 487.479 1.155 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1740626293 TUMCOHSENMEHOC-SFHVURJKSA-N 456.959 1.987 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1740627700 JHFVCSGQHRTPDK-WQJMLWGNSA-N 470.661 1.592 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCn1ccnn1 1740639557 WPVIKRZQEUYJSS-UHFFFAOYSA-N 455.526 1.820 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1740647334 MKCKYUOKRQGGFU-DEOSSOPVSA-N 465.579 1.822 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccc(F)cc1 1740685217 CCEPNIMHMWCPBP-SJORKVTESA-N 450.536 1.873 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCn2cnnn2)CC1 1740701409 GOEYYTCMHDOZBA-UHFFFAOYSA-N 498.389 1.750 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(Cl)nc2C1 1740717544 VKFOIQPZIZFXKD-QGZVFWFLSA-N 497.046 1.589 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Nc2cccnn2)CC1 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C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749689350 CYARWKKZRAXGIQ-OAQYLSRUSA-N 496.612 1.958 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1749723654 BFKFQWWHKFGUEC-DOMZBBRYSA-N 458.382 1.844 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1760184032 STKKZMCKUMTUEM-INIZCTEOSA-N 477.974 1.536 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@@H]2CCOC2)CC1 1760265439 BBYOEUQQCJCREA-DVECYGJZSA-N 459.591 1.711 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOc2ccccc2)CC1 1760281543 OFCRPJXYNMYBPP-HXUWFJFHSA-N 489.667 1.748 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](CC)C1 1760321489 HFJNZGXWUSMCDU-HCXYKTFWSA-N 485.676 1.924 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1760333288 CPYMWQDYYKNEPS-DENIHFKCSA-N 468.606 1.707 30 10 JDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1760360081 PXRZBOJOWMODJS-SFHVURJKSA-N 478.594 1.723 30 10 JDEE C=C(Cn1c(N2CCN(CCOC)C(=O)C2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1760364767 BOILGRJCANCEIN-DEOSSOPVSA-N 455.559 1.939 30 10 JDEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCNS(C)(=O)=O)CC1 1760404118 TUBSBUHDMWSIHA-UHFFFAOYSA-N 466.995 1.813 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(S(C)(=O)=O)CC1 1760526764 SKKXIGTWDXKSJA-UHFFFAOYSA-N 461.588 1.790 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1760535394 PXZGWGVCUXBZMC-WOJBJXKFSA-N 468.606 1.733 30 10 JDEE CCC(CC)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1)OC 1764038585 DBNBPCPHQFOJTJ-IBGZPJMESA-N 456.547 1.885 30 10 JDEE CN(CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)CC(F)(F)F 1767346865 BTPHPHQDSXMZPU-UHFFFAOYSA-N 491.522 1.601 30 10 JDEE CSC1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CCN(C)CC1 1770454851 CJMYTSKZLAVPRZ-INIZCTEOSA-N 456.576 1.482 30 10 JDEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(O)c(O)c1)c1cccc([N+](=O)[O-])c1 1862741263 ODKGCGHGNDVDHQ-HXUWFJFHSA-N 469.450 1.917 30 10 JDEE CCCCCCCCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CN(CCO)CCO 1870542392 SHOBQSZZVIWVOK-JOCHJYFZSA-N 481.634 1.669 30 10 JDEE C#CCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CN(CCOC)CCOC)cc1=O 1870561635 VYRZMXBWRMWOQL-QHCPKHFHSA-N 457.571 1.964 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(Br)c(C)n(C)c3=O)CC2)CC1 1889374186 LFJKEGBENRXOOU-UHFFFAOYSA-N 493.446 1.718 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2180991568 OKMSHPNFQNSBKP-FPTDNZKUSA-N 460.340 1.598 30 10 JDEE CN(CCN(C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255933361 OIJWJXSMWNTXNO-UHFFFAOYSA-N 458.390 1.207 30 10 JDEE C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1nscc1B1OC(C)(C)C(C)(C)O1 2256617615 KTOGUKVJENXELV-LALPHHSUSA-N 455.386 1.894 30 10 JDEE COCC[C@H](CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267010151 RALXYFGHRFWTIB-CQSZACIVSA-N 452.361 1.379 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCCN(Cc3ccccc3)CC2)n1 2267474421 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CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2OC)n1 2282593061 LPXBYIZCKSPRCU-HOTGVXAUSA-N 464.372 1.566 30 10 JDEE Cn1nc(C(=O)Nc2cnn(CCNC(=O)OC(C)(C)C)c2)cc1B1OC(C)(C)C(C)(C)O1 2282617732 MBFCQFOVRHFAIC-UHFFFAOYSA-N 460.344 1.693 30 10 JDEE COc1ccc(C(=O)N(Cc2ccccc2)CC2(O)CNC2)c(B2OC(C)(C)C(C)(C)O2)c1 2282654676 LKUSUMRHRGPJOY-UHFFFAOYSA-N 452.360 1.971 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2282656760 UWAICHZVTMPRDX-RCDICMHDSA-N 461.372 1.491 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282701639 XUCXSFOMAILIFA-LSDHHAIUSA-N 463.388 1.737 30 10 JDEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282830763 ZPEPAYNJPHXWDM-HUUCEWRRSA-N 484.428 1.643 30 10 JDEE Cc1nc(S(=O)(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282844008 WIXJLZUXGWTLOW-LPHOPBHVSA-N 474.436 1.827 30 10 JDEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(=O)O 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JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1286775034 VPXIXXZGDIDXDF-KRWDZBQOSA-N 484.623 1.633 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1286778845 KIWMEKODOCSMHS-HNNXBMFYSA-N 480.495 1.873 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286792378 VZDDVLBQXWCHEV-IBGZPJMESA-N 477.587 1.571 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1c(C)nn(C)c1C 1286831454 GBUAFWMIYZMZAL-GOSISDBHSA-N 483.664 1.517 30 10 JDEE C[C@](O)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)c1ccc(F)cc1 1288899353 HXWZVVYRGFJSSP-YYWHXJBOSA-N 496.540 1.100 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCCN3CCC(O)CC3)CC2)c1C#N 1290576254 CBMIDJCVFVFDJS-UHFFFAOYSA-N 469.638 1.564 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCCC2)CCO1 1299133293 GQRARVOYVYDADA-LEWJYISDSA-N 451.575 1.888 30 10 JDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300455521 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C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCCC[C@H]2C1 1358913812 YTQYKDMVSLYNRD-RBUKOAKNSA-N 450.609 1.089 30 10 JDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 1358938327 XPNYQPWHMAFJJN-XLIONFOSSA-N 460.604 1.803 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1358958102 HTZYVYPBPCCCRA-HTAPYJJXSA-N 496.536 1.979 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1358967240 GMFFGVBWNSYORD-WOJBJXKFSA-N 471.583 1.506 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC(=O)N1CCN(c2ccccc2)CC1 1358984292 PHWVXLPITAWLHR-UHFFFAOYSA-N 461.570 1.228 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC(=O)N2CCCCC2)CC1 1359029897 JZRLMBMNBZDVFK-XMMPIXPASA-N 458.607 1.477 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C(CC)CC)N(C)C)CC1 1359045908 XTMUOGNXDXKBBD-LEWJYISDSA-N 492.690 1.512 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCC1=O 1359070152 GNPQQKSEWVFRNI-PGRDOPGGSA-N 478.619 1.006 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359083244 FYAKCPINNPBYAY-CQSZACIVSA-N 462.414 1.941 30 10 JDEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@](C)(C(N)=O)C1 1359127471 QXTFMTCAKMABBC-QFIPXVFZSA-N 475.619 1.841 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2CCOC[C@H]2C1)C(C)C 1359265809 METOGZZZTKOMJX-QHAWAJNXSA-N 457.623 1.449 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1359297242 KCSMYRNHPGVJBW-MOPGFXCFSA-N 454.575 1.923 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1359303065 CNISXINEKRTJTK-OAQYLSRUSA-N 465.558 1.686 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1359303753 ZUFDESOJKRWXMI-UHFFFAOYSA-N 467.574 1.368 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1359303782 AMKBEFQFFGZOCS-QGZVFWFLSA-N 456.576 1.785 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@]1(OC(C)C)CCOC1 1359335274 GVGMQFLXQARRLX-HMFYCAOWSA-N 481.619 1.167 30 10 JDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNS(=O)(=O)c2ccccc2)C1 1360784237 AYOMFFXTEWRTHU-UWJYYQICSA-N 457.560 1.338 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(c2)S(=O)(=O)CC(=O)N3)s1 1455438560 JGNJONMFMDXORJ-UHFFFAOYSA-N 455.539 1.119 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1503833287 HINDSFCDPSIGSD-UHFFFAOYSA-N 486.602 1.094 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCS1 1504887690 DBVYQAUDYFGDGY-VQIMIIECSA-N 472.637 1.263 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Br)n1 1507538599 NTNGUBNMVWMGHS-DZGCQCFKSA-N 483.392 1.275 30 10 JDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1507554368 QUWOQCYUBUVZBH-SFHVURJKSA-N 473.603 1.837 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCO[C@@H]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507631050 LFAWXNLCUQXYJH-NLWGTHIKSA-N 458.588 1.957 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCNC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1507633508 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C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1508090469 NRECVAUGLGJZML-LJQANCHMSA-N 470.549 1.505 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCO[C@H]2C(C)C)C1 1508124199 LIWQRKKICMYIBE-ZRNYENFQSA-N 483.635 1.453 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1508137638 OMUQMVIHXWGEDH-UHFFFAOYSA-N 473.603 1.667 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(N2CCCC2=O)CC1 1508142274 RTPKBUPQFGHMRT-QGZVFWFLSA-N 451.593 1.364 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1508144549 UUKOWBXKARVWRN-HSZRJFAPSA-N 489.598 1.704 30 10 JDEE CC(C)[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1512364674 DZOMDGRZMYHSNE-HXOBKFHXSA-N 467.578 1.184 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C[C@H]2CCCO2)c2ccc(Br)cn2)C1=O 1526300932 AELJCBQATJAPMA-CYBMUJFWSA-N 451.277 1.333 30 10 JDEE C#CCCCCn1c(N2CCN(C(=O)CN3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539085947 AEXWALTWJUKITB-VWLOTQADSA-N 488.633 1.103 30 10 JDEE C#CCCCn1c(N2C[C@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1539141855 ZDFDPWYHVPAPTR-UWDQQESISA-N 472.634 1.723 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)Oc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1539200860 QOZIANQJNBPZLX-HKUYNNGSSA-N 489.573 1.747 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)C2CCCCC2)CC1 1539467126 NHEMSOWRXIHITJ-DEOSSOPVSA-N 458.607 1.713 30 10 JDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1539682046 CWKAARIDCDWCEO-UHFFFAOYSA-N 473.622 1.713 30 10 JDEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)C1 1554405246 CYCCUGSUAFRNNQ-HOYKHHGWSA-N 467.574 1.412 30 10 JDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](Cn1ccnc1)C(=O)OC 1558969389 DQCVRDLFBNLUDK-CQSZACIVSA-N 451.277 1.653 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1588029570 IYVOKMYDFUUGKT-MJGOQNOKSA-N 464.636 1.165 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1CC1(C(N)=O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1588069251 KIMSRJFHMVDBKI-NRFANRHFSA-N 499.637 1.362 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1588082858 AXVFPAZWSJFSNX-IERDGZPVSA-N 462.959 1.694 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccc(N3CCOCC3)nc2)n1 1588724438 ZWQXFHUDVCAOJM-UHFFFAOYSA-N 450.547 1.349 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@H]2C)CC1 1588908044 KGCQRRQGIAWDOF-LJQANCHMSA-N 461.570 1.503 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1588961861 OWFBNODLUIIARX-IBGZPJMESA-N 494.596 1.842 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC(C)(C)C1 1589068995 HBUXEYARQQKODH-SJORKVTESA-N 455.650 1.850 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(CC(C)C)C1 1589215661 CQAXSDAXJLOIGI-AWRGLXIESA-N 492.690 1.971 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1593637172 ZRYQTIRVABNOPA-IBGZPJMESA-N 463.560 1.595 30 10 JDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)C1CC1 1595020536 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30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(N(C)C)nc2)CC1 1690145983 CGOVRSWWEAAPOQ-HXUWFJFHSA-N 451.575 1.647 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1690265713 SVARKKDDDCMSCX-AQNXPRMDSA-N 498.694 1.901 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690302563 HAEGUHFYNNMNJT-QFIPXVFZSA-N 494.639 1.956 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCCCC2)CC1 1690659391 RDJDVYOLBAVOEC-UHFFFAOYSA-N 452.563 1.682 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1690661092 UOQDHRVIGMKHOO-ZWOKBUDYSA-N 468.558 1.834 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccn(Cc2ccccc2)n1 1705495127 KWUUIHLDWLRRSQ-NQIIRXRSSA-N 483.598 1.362 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705563488 YPXPQRPJYGZDCG-OAHLLOKOSA-N 485.488 1.259 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(C(=O)N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1705565640 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C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705933657 OIMZZCQLEIPLHL-AWEZNQCLSA-N 468.967 1.871 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1705934826 YJLIHHQDDBLCHI-WOJBJXKFSA-N 478.663 1.922 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(C)C)CC1 1705936020 HVZHEJCTCJLHTJ-HXUWFJFHSA-N 461.588 1.922 30 10 JDEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H](C)C(=O)NC)c1=O 1710192338 GNCWFMVMVRDYDB-KRWDZBQOSA-N 463.542 1.777 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1722359817 WCFWFTMLRVQHCK-SFHVURJKSA-N 465.620 1.782 30 10 JDEE C#CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC)[C@H]1CCS(=O)(=O)C1 1722368845 WQQHHHXCNUOZHU-IRXDYDNUSA-N 467.592 1.623 30 10 JDEE C#CCN(c1nnc(COCC)n1CC[C@@H](N1CCOCC1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722369902 INPZHWAOCBFUMT-IAGOWNOFSA-N 493.552 1.095 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2c(CC)cccc12 1722384685 RVKOBSJCAXTCTO-QFIPXVFZSA-N 494.621 1.970 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1722532379 KMCDBHMXOZKDIZ-CBNMVNINSA-N 487.649 1.639 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1722693545 RSDIPTZDZXNMTK-QGZVFWFLSA-N 472.546 1.979 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C#N)CC1 1722726841 GFMIVIICKGMWAS-UHFFFAOYSA-N 453.528 1.935 30 10 JDEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1722734396 FJMODPUWKINQRM-OAHLLOKOSA-N 469.409 1.917 30 10 JDEE CC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H](C)C1 1722791406 UBZZNUFJXAYITK-QTUOYIBBSA-N 499.522 1.731 30 10 JDEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1728540923 DMPBMKNEHBCKLK-SFHVURJKSA-N 483.602 1.584 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCOCC2)CCCCC1 1740532886 MLFQUNZCTUCKRF-QZTJIDSGSA-N 452.625 1.381 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCOCC1 1740607810 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QZSVCLKQSFGISW-VQTJNVASSA-N 477.587 1.471 30 10 JDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1295164911 HXMHTRCUXGHBPE-HXUWFJFHSA-N 472.615 1.941 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1300332337 CBKRFMLDGMKDOK-WJTDDFOZSA-N 496.531 1.923 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1300483741 NKWQYCXRHZICLH-IBGZPJMESA-N 484.582 1.794 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1300484426 RXSHLLDOCBWYOM-JQVVWYNYSA-N 466.604 1.372 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OC(C)(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1300491538 IHABLSLXNGOREN-LJQANCHMSA-N 483.598 1.926 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1300500953 GDZANNYDAFLDPM-LJQANCHMSA-N 453.572 1.257 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1300731658 RSMRBPKXHZTRPZ-VWLOTQADSA-N 480.569 1.310 30 10 JDEE 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C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2cccs2)N(C)C)CC1 1722431196 HBIRITXLUUKYED-IRXDYDNUSA-N 465.649 1.008 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCCN2CCC[C@H]2CO)CC1 1722445665 ACEHOEMQCAVKNR-QFIPXVFZSA-N 479.629 1.851 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722519879 TYLTXWIVRUXILL-SFHVURJKSA-N 462.576 1.113 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1722536012 BGUBOGUPOCIPKF-MOPGFXCFSA-N 453.609 1.074 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1722697885 SPOTXDRABCXNMW-JOCHJYFZSA-N 474.569 1.299 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@H](OC)C1 1722699692 XJTILIHJVPDQEW-OKZBNKHCSA-N 478.594 1.750 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](COC)C1 1722727273 JWELKUTYWSMPMX-HNNXBMFYSA-N 451.549 1.469 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1740617327 PMIWCZBKDQGZEG-UWJYYQICSA-N 454.593 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C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749687721 YPKOBQRFOAJXTM-QZTJIDSGSA-N 457.531 1.390 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1749721536 NAXMWTJAOMHTEB-KRWDZBQOSA-N 496.634 1.561 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749730988 YAQILRARUCZNGW-OAHLLOKOSA-N 463.585 1.651 30 10 JDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1750948303 HQCKUTLAFVPLCB-QYWGDWMGSA-N 461.521 1.204 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC=C 1760173933 FNNGBUHTIBPXJE-INIZCTEOSA-N 453.565 1.257 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1760184615 XCTGXRPPTOUWEY-LJQANCHMSA-N 464.613 1.569 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1CCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1760184772 YULGZEFIHPLWNM-SJLPKXTDSA-N 479.628 1.308 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cc(C)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1760189151 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C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1760519517 HFRGMFFJWQTXCN-PKOBYXMFSA-N 498.584 1.386 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1760525363 CGQJOQQEXLTUFV-UHFFFAOYSA-N 461.526 1.234 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760526199 HOYLYHWQOKBDRY-UHFFFAOYSA-N 478.557 1.363 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(NC(=O)OC)c2)C1 1760534894 IJEHTKPVMWRFGB-YJBOKZPZSA-N 478.575 1.896 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C(C)C)N2CCCC2)C1 1760543864 SXOJXJSTPJYIAU-QHAWAJNXSA-N 496.678 1.513 30 10 JDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc(OC)c1OCC 1865730223 YSDDXWYQXIJYRW-QGZVFWFLSA-N 482.537 1.387 30 10 JDEE C=CCOc1ccccc1OCC(=O)Oc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 1865744718 GOBYGWJAWGASFM-HNNXBMFYSA-N 464.430 1.637 30 10 JDEE C[C@@H](NC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1)C(=O)Nc1cccc(C#N)c1 1866645936 AVSCTGYZPIWBDB-AUUYWEPGSA-N 475.548 1.276 30 10 JDEE COCCN(CCOC)C(=O)[C@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869928347 UZJDFLSHZHHLSU-NRFANRHFSA-N 484.578 1.939 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1C 1872720098 NLXKCOPAFIFLRW-UHFFFAOYSA-N 481.552 1.833 30 10 JDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cccnc3N3CCOCC3)CC2)CC1 1889499421 UJJTVOWTKLEVFB-UHFFFAOYSA-N 469.630 1.569 30 10 JDEE CC(C)(C)OC(=O)NCC1(O)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2255751022 SWVLKPJHHGKNAF-UHFFFAOYSA-N 474.410 1.307 30 10 JDEE C[C@@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255751203 WWXFBRQLCCZJRW-ZDUSSCGKSA-N 458.390 1.158 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2267366806 KTFJWQHTHAAOJT-UKRRQHHQSA-N 488.437 1.553 30 10 JDEE CN1CCN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)C(F)(F)F)C1 2267459682 FEJUTMXANYSGAP-LBPRGKRZSA-N 461.315 1.482 30 10 JDEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 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C#CCN(c1nnc(Cc2cccnc2)n1CC(=O)Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1286396726 YMNSOCAXXQUYIC-HXUWFJFHSA-N 482.541 1.668 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccn(CC)c1=O 1286408337 FDTNSAMWLPTZIH-UHFFFAOYSA-N 453.506 1.495 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(=O)N(C)C)cc1 1286446509 GXXXPQJVHSCQJR-IBGZPJMESA-N 489.602 1.212 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@]2(O)CCOC2)CC1 1286473006 GSLQYVRMVJSLLL-NRFANRHFSA-N 476.375 1.623 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C)n(C)c2=O)CC1 1286492906 BNOLPSXYZRWNRA-UHFFFAOYSA-N 459.554 1.285 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](CN2CCOCC2)C1 1286784586 MRYGDTWYZVPQPW-LJQANCHMSA-N 454.575 1.805 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1286788537 YCYWLZYWQXGGML-RTWAWAEBSA-N 482.610 1.813 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOC[C@H]1C 1286818575 YMPIOWWGGURKHZ-OAHLLOKOSA-N 467.979 1.687 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1286825195 NFZHMAOUWKCXSN-DRSNIGMVSA-N 481.619 1.828 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)C1 1296328860 DTKBTEZVXBYUFT-LJQANCHMSA-N 471.587 1.394 30 10 JDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1300357042 HSCPUJAFFAXYRV-UHFFFAOYSA-N 463.542 1.291 30 10 JDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(S(C)(=O)=O)CCC1 1300471560 GKXRXPGXQRMYPK-UHFFFAOYSA-N 470.643 1.680 30 10 JDEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(O)CCS(=O)(=O)CC1 1300626058 NSXYCGKFSRVBPM-UHFFFAOYSA-N 495.646 1.792 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1301484963 PEUQQKUPMCFHHW-JOCHJYFZSA-N 456.503 1.930 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CCOC(C)C)CC1 1301502294 FUTNPOUYGIABTD-NRFANRHFSA-N 470.574 1.640 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1301588638 ICRNHXTXELYKKB-ICSRJNTNSA-N 467.636 1.810 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1301589119 NVSRVKDITJCZNB-LPHOPBHVSA-N 491.570 1.668 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCOC1 1301589878 ZFCTZMIYNLBBAR-IAGOWNOFSA-N 485.607 1.412 30 10 JDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1358956690 JOOOSHHCRZQNTQ-PMACEKPBSA-N 455.584 1.749 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1358966051 HCNFBAYRZUPAMO-LJQANCHMSA-N 454.556 1.758 30 10 JDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)CN1CCN(CC)CC1 1358997048 BRQNMFSEQHIZLS-NRFANRHFSA-N 450.635 1.876 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CC=CCO2)CC1 1359031450 CAQSYMPRVHFWER-HXUWFJFHSA-N 470.599 1.296 30 10 JDEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359060560 ZNQWXUCQBLLUIB-UHFFFAOYSA-N 496.637 1.768 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CCC(C)C 1359070815 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C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1507588562 NCVZMDBOIIKXNQ-RTWAWAEBSA-N 484.582 1.474 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1CCCNC(=O)c1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1507622981 NKQWNOKMKVRYGL-IEBWSBKVSA-N 473.599 1.944 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1507623600 UQHMMINTKXLYTR-DOTOQJQBSA-N 473.534 1.361 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCOC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1507626227 DMNHEPZUUVFYQZ-RBBKRZOGSA-N 483.594 1.887 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCOC[C@H]1C 1507659145 LQLDRVKNLAGDOR-AQNXPRMDSA-N 456.591 1.842 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1507732543 OTJPIKOYXHUEAF-OAQYLSRUSA-N 469.609 1.777 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1507734069 GOOITKLKDJNJFP-SSOJOUAXSA-N 483.569 1.468 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2nncn2CC)CC1 1507743114 ZNOAURMULITPBK-UHFFFAOYSA-N 462.558 1.503 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1507824771 IGUSYXKRFVMUEQ-MRXNPFEDSA-N 450.613 1.137 30 10 JDEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)CC(=O)N1CCOCC1 1507832786 RNNOLUVJNIXUDA-UHFFFAOYSA-N 467.618 1.514 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1507985874 DIPSDSCPWKNOCH-YWZLYKJASA-N 455.581 1.522 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1508086214 KBRQMMMPHBTKMX-HDICACEKSA-N 494.600 1.040 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1508087583 UKJPRSUGKIKHKK-LJQANCHMSA-N 469.565 1.892 30 10 JDEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1509723998 FRTZPEDEWSNOJA-QGZVFWFLSA-N 460.560 1.267 30 10 JDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCN(C)CC(F)(F)F 1512384144 BPMPTMIQVKLOSC-OAHLLOKOSA-N 465.480 1.890 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCC[C@H]2C)c1 1539037266 DDTYRLCIUPLJQX-QZTJIDSGSA-N 487.630 1.429 30 10 JDEE C#C[C@H](NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCCO1 1539109103 LFIUMVWIZRXOOL-HOTGVXAUSA-N 457.346 1.381 30 10 JDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(CS(C)(=O)=O)CC1 1539154191 MQZWLAFPIXNCBH-UHFFFAOYSA-N 464.617 1.441 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539206059 MHYPRZXMRASDOE-MSYCTHLASA-N 491.614 1.453 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1539210680 DCIQVRSNHBKNPD-OAHLLOKOSA-N 483.388 1.989 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)NC 1539362645 FTJSQRBSQFEBRV-UHFFFAOYSA-N 457.560 1.245 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1539453563 MGXAPXHAQAGLAG-UHFFFAOYSA-N 464.595 1.612 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCn2ccnc2C)CC1 1539467554 VAVKFTDYNAVFGO-UHFFFAOYSA-N 475.557 1.486 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cn2cccn2)cc1 1540072690 MAHUIVAQPZWNPP-HXUWFJFHSA-N 471.587 1.526 30 10 JDEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1540855873 CRWMSXLDUWJNDQ-UHFFFAOYSA-N 477.338 1.960 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1540862017 OONVQBRHRHIIRH-UHFFFAOYSA-N 492.540 1.400 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(N(C)C)CCCCC2)C1 1540892586 OJYXYJARPNSKSN-VQTJNVASSA-N 496.678 1.657 30 10 JDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(S(C)(=O)=O)cc2)n1 1543066411 CKGMQMACTYOBSX-GOSISDBHSA-N 455.544 1.320 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CCN2CCN(Cc3ccccc3)CC2)cc1 1556558452 ZFBNYZNJFHRREV-UHFFFAOYSA-N 454.596 1.488 30 10 JDEE C#CCC1(NCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CCOCC1 1560154305 HTFCPEHRIMHDAG-UHFFFAOYSA-N 455.580 1.835 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)s1 1586401081 ABZCPTKKMPUCPW-UHFFFAOYSA-N 451.545 1.765 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(S(C)(=O)=O)CCCC1 1587600211 VWODZNIHZHLIFA-MRXNPFEDSA-N 454.560 1.736 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1588049953 OGNJPUSQEISTNI-LJQANCHMSA-N 451.556 1.864 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588068973 DHRVQHMMXYXDDY-SFYKDHMMSA-N 474.583 1.332 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1588645684 BBIFCHCAJGBFJY-MSOLQXFVSA-N 483.635 1.816 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)C(=O)NC)CC1 1588899401 PDBDAQDLRJMPGW-UHFFFAOYSA-N 467.530 1.591 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1593696354 NXWGHRLZMRUODL-CTNGQTDRSA-N 496.616 1.507 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1595501423 TUASVOGCNLRPJN-UHFFFAOYSA-N 483.573 1.089 30 10 JDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@@H](COC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595595831 ZXRYLGYERUZHDZ-WNRNVDISSA-N 478.594 1.591 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(C)(C)C)CC1 1595760340 LZNZTZKZTSTFBP-UHFFFAOYSA-N 454.641 1.718 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1596813088 FOFLCPMAYQIEPF-IIBYNOLFSA-N 455.544 1.276 30 10 JDEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C(N)=O)nc1 1611761089 CYLORAHJTLNHCG-GOEBONIOSA-N 451.462 1.828 30 10 JDEE CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1)S(C)(=O)=O 1617786708 BANJMKNPTRNNGI-OAQYLSRUSA-N 476.628 1.545 30 10 JDEE C#CCN(CC)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1626575966 USGRNNGNJMUPEY-UHFFFAOYSA-N 455.964 1.443 30 10 JDEE C#C[C@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 1636622371 IAKZJTRAFFUHBV-CQSZACIVSA-N 453.314 1.982 30 10 JDEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1689897548 AAOXYVGRNGAEQL-UHFFFAOYSA-N 455.588 1.792 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccnc1OCCOC)[C@H]1CCS(=O)(=O)C1 1689986664 UUBRIZNAKJGTQS-IBGZPJMESA-N 484.582 1.379 30 10 JDEE C#CCN(c1nnc(COCC)n1CC1CCN(c2ccncc2)CC1)[C@H]1CCS(=O)(=O)C1 1689997233 YDWHLCDWBIXPQW-NRFANRHFSA-N 472.615 1.753 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690017462 DSCYCBMIZKBOMJ-JPYJTQIMSA-N 491.614 1.015 30 10 JDEE C#CCSCCn1c(N2CCN(C[C@H]3CCCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690185674 CTYPHZIEZCPASW-NFBKMPQASA-N 463.648 1.986 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COc2ccccc2)C1 1690724869 XVQJMJVOJLNIKL-OALUTQOASA-N 494.639 1.686 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(c2ncccc2F)CC1 1696622770 AINXGNFLSHZEKY-UHFFFAOYSA-N 498.588 1.959 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)nc2)c1 1705504228 QKZWCUMLIBYBOF-INIZCTEOSA-N 497.581 1.396 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@]2(O)CCO[C@H]2C)c1 1705506745 HIPVCNQGIYUZRU-AVRWGWEMSA-N 460.538 1.860 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC[S@](=O)CC)c1 1705507638 HTYYLJDMJLCTHI-JGCGQSQUSA-N 456.572 1.225 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705558978 NOAFJKJAADTGKW-HBMCJLEFSA-N 492.690 1.801 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CC1(S(C)(=O)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1705563783 FHEYQHSJIPJXLE-IBGZPJMESA-N 476.624 1.929 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CC1CCN(C(=O)OC)CC1)[C@H]1CCS(=O)(=O)C1 1705570816 RKSJDVZZEMIQDH-SFHVURJKSA-N 451.593 1.582 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC(=O)N(CC)CC)CC1 1705644027 XDCVIEMJHYBMIU-UHFFFAOYSA-N 471.606 1.129 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H]2CCC[C@@H]2N2CCCS2(=O)=O)CC1 1705644057 GGERGRBTMUEUSO-PMACEKPBSA-N 476.647 1.572 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(OCC(N)=O)c2)CC1 1705648099 NPFHFVFQGCRRDS-NRFANRHFSA-N 480.569 1.398 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1705901202 DTZQHYHSGCTFAJ-QGZVFWFLSA-N 471.949 1.034 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1705903922 ZOGCHXXISCOYTE-UHFFFAOYSA-N 468.518 1.206 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc2c[nH]nc2c1 1712453851 BLWRQRIXKVIOFW-GOSISDBHSA-N 457.560 1.666 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1722362440 URQWIHCDLDLNBE-PBHICJAKSA-N 459.601 1.874 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722364979 BCPVKXSICZZICA-QYZOEREBSA-N 476.647 1.366 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCC[C@]2(CCOC2)O1)[C@@H]1CCS(=O)(=O)C1 1722368699 UZMIKQNGQMTELF-XQBPLPMBSA-N 450.605 1.832 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1722430572 FMVUNLFJUBNIHY-OALUTQOASA-N 490.605 1.594 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1722433722 CEUNCRBEVCELMB-KRWDZBQOSA-N 463.007 1.635 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCC(C)CC2)CC1 1722434433 RHUXOUWWCDIXQU-UHFFFAOYSA-N 470.643 1.836 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1722453140 OMZANSDFDUVMAE-INIZCTEOSA-N 454.560 1.332 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN2CCOCC2)C1 1722490679 BVMTUAMDPRVLRX-BQJUDKOJSA-N 496.678 1.418 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc2n1CCCCC2 1722672182 LUTNJPBOYDRVNU-KRWDZBQOSA-N 476.607 1.156 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1722737187 WMKBELONUUROQH-GVDBMIGSSA-N 476.665 1.667 30 10 JDEE CCN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN(C(C)=O)C1 1728522844 FSFMLLUUSXDYSA-FQEVSTJZSA-N 488.614 1.858 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NCc1ccco1 1740650649 IDBCXXAKVBNTCK-UHFFFAOYSA-N 455.482 1.293 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC2(S(C)(=O)=O)CC2)CC1 1740704824 YPGICXOVFAWTIR-UHFFFAOYSA-N 459.547 1.627 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@@H]1CC 1740717154 LBMXQYAHQPQYMR-IRXDYDNUSA-N 478.619 1.668 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1740782756 NXKGWKBRHXVGSO-AEFFLSMTSA-N 480.566 1.769 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(C)(=O)=O 1740914760 YAKZNJXYYWOECR-QGZVFWFLSA-N 468.601 1.426 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2nc(C)c(C)s2)C1 1740982891 YEZGSJSMKZWBGD-ZWKOTPCHSA-N 496.659 1.708 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1741033033 LTSZZIBXBJMLOC-RBUKOAKNSA-N 451.531 1.312 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)[C@@H](C)C1 1741055313 HTBOHPRWQTYJBA-AVRDEDQJSA-N 468.558 1.981 30 10 JDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1741702621 CESMYZAZYQPIGF-GOSISDBHSA-N 451.531 1.454 30 10 JDEE Cc1nc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)cs1 1742602709 AKOKVXIIJLLIPU-FXAWDEMLSA-N 479.632 1.749 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCN(c2ccccc2)CC1 1748672043 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1.896 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1595788773 JELXVPKRUFXDIU-RTBURBONSA-N 459.572 1.798 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](c3ccco3)C2)nnc1[C@]1(OCC)CCOC1 1595831644 VGJLCPIYMIFKKM-NQIIRXRSSA-N 466.560 1.702 30 10 JDEE CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 1606615064 AETGHSZQUZUIKO-LJQANCHMSA-N 456.543 1.974 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC[C@H]2CCCCO2)C1 1620170375 AQUHQUDNWWIDEC-FUHIMQAGSA-N 470.571 1.402 30 10 JDEE COc1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1S(=O)(=O)NC1CC1 1622979122 APUBDRHHXBSDCV-CQSZACIVSA-N 456.528 1.148 30 10 JDEE C=CCNC(=O)CNC(=O)c1cc(O)nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12 1631619600 UKTYENXROCQJKO-UHFFFAOYSA-N 458.471 1.912 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCCN2CCOCC2)c1 1689872056 NHSHJLFAGORIJG-HXUWFJFHSA-N 452.559 1.561 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1689978187 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C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1690481330 BAVKWGUYXMJZRR-QGZVFWFLSA-N 451.531 1.500 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COc2ccccc2)C1 1690724870 XVQJMJVOJLNIKL-RBUKOAKNSA-N 494.639 1.686 30 10 JDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)CCN1CCOC 1694920673 BHMZNZCJQMJLMY-OAQYLSRUSA-N 454.575 1.905 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccc(-n2ccnc2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1705568247 JRRFADUSMPZYOH-GOSISDBHSA-N 472.546 1.814 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1705580714 PCQGOXVWVHVRPW-UHFFFAOYSA-N 483.536 1.462 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn(CCCC)nc1C 1705612843 QCVJBCIJDRNVOK-IBGZPJMESA-N 463.608 1.424 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCc2c[nH]nc2C)CC1 1705644807 CJDJIHSLCGVBFF-DEOSSOPVSA-N 469.590 1.560 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)N2CCOCC2)CC1 1705650399 QCHPEUZBNIPNPO-SFHVURJKSA-N 456.616 1.617 30 10 JDEE 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C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)s1 1457315971 ZYQUUUPYNVYJLO-AWEZNQCLSA-N 459.590 1.195 30 10 JDEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507561612 CQYGOPGPVZUYSD-UHFFFAOYSA-N 466.586 1.738 30 10 JDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCNS(=O)(=O)c1ccc(C)s1 1507620753 JQLVEDASRNYGNX-UHFFFAOYSA-N 469.596 1.934 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CC(=O)NCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1507635523 STARWCOEMNEHHY-FQEVSTJZSA-N 455.584 1.216 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCS(=O)(=O)C1 1507644655 LEACEBJGXUAKEP-QGZVFWFLSA-N 460.581 1.246 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@](C)(O)C2CC2)CC1 1507715609 FCOFIDYCUJDWHC-HSZRJFAPSA-N 456.978 1.778 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2conc2COC)CC1 1507717396 AZMPVNFYVAAYOC-UHFFFAOYSA-N 470.555 1.287 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1507754766 PLBKQEDBHPWBHV-QGZVFWFLSA-N 470.603 1.419 30 10 JDEE 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C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1CC1(O)CCS(=O)(=O)CC1 1540189163 JTHWEWVNSMWXCT-GOSISDBHSA-N 450.561 1.897 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1540866834 BXIGYXTVRAYNBX-UHFFFAOYSA-N 483.598 1.561 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1540874664 NVQCJKXPNIOTTH-RXVVDRJESA-N 465.558 1.188 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1540876363 OWOOQQUPHHRYRL-NTKDMRAZSA-N 489.621 1.203 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1540906778 BLXCVBTVFCGBOS-UHFFFAOYSA-N 498.609 1.921 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN2CCOCC2)C1 1540917414 VVSNYTVEXVHZOS-QZTJIDSGSA-N 455.650 1.258 30 10 JDEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)CCn1cccn1 1548372695 WDCZLUKWLXIZJU-IBGZPJMESA-N 478.475 1.644 30 10 JDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccc(Cl)cn2)C1 1555984734 BABJCLVIRIVNSQ-SCLBCKFNSA-N 454.915 1.750 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(C)C)cc1 1587638120 BULNMFZMBILVNA-PXNSSMCTSA-N 461.588 1.904 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1588041550 XTKDWAURNJIHON-GOSISDBHSA-N 450.528 1.113 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1588053881 IPYDWGSSLCBUJW-YOEHRIQHSA-N 465.938 1.697 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(=O)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588055373 VRPZEUDFEYZYFF-VQTJNVASSA-N 471.583 1.067 30 10 JDEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@@H]1CC 1593735498 IQUCRHBEOSRUBX-IBGZPJMESA-N 465.558 1.982 30 10 JDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)OC 1619596272 GSKMFRSEYIXMSG-IRXDYDNUSA-N 466.464 1.983 30 10 JDEE CN(CCc1ccccn1)C(=O)CNS(=O)(=O)c1cc(Br)c(C#N)cc1F 1621748424 BEUIYHPFVIWOMR-UHFFFAOYSA-N 455.309 1.834 30 10 JDEE C#Cc1cccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)CC2)c1 1636157773 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ATGOZSOWEPKQPV-HXUWFJFHSA-N 466.585 1.055 30 10 JDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)N(C)C 1690527005 IBJGTKKUWFYVBU-HNNXBMFYSA-N 458.585 1.100 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2CCOCC2)CC1 1690743811 FWUTYERKOXJYSC-LJQANCHMSA-N 469.677 1.648 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCCC2)CCOCC1 1691003273 FHPSZIQVFBKBAG-MSOLQXFVSA-N 450.609 1.421 30 10 JDEE CO[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1697110158 HLZPAPVZBQRQRE-SJORKVTESA-N 461.592 1.117 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCNC(=O)C2CC2)cc1 1698488441 CWZAFAWESKCCAZ-QGZVFWFLSA-N 451.531 1.347 30 10 JDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCN1CCOCC1 1705525728 SPYBKOUJLINUTL-UHFFFAOYSA-N 459.620 1.728 30 10 JDEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705526650 NAHXMMYNYYZANQ-QGZVFWFLSA-N 482.541 1.857 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705567240 UZJMVBOPJNSQHK-KGLIPLIRSA-N 482.550 1.395 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccsc1 1705613370 ZHYSQNNOOYJTLT-QFBILLFUSA-N 453.590 1.040 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=C)Cl)n1 1705631430 DRCMOILVKUIBNL-INIZCTEOSA-N 452.968 1.415 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1705674902 UPDOGJHBZPKTCO-IHFIDZABSA-N 494.662 1.102 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1705747765 UPVZYIMZSFCFMW-ILXRZTDVSA-N 463.004 1.008 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1705843364 CXYMTYKEMWZTDV-QRVBRYPASA-N 454.641 1.601 30 10 JDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1705886747 FGFSNJOFEDAMFG-CQSZACIVSA-N 450.540 1.743 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](n2cncn2)C1 1705895292 AVFKNWYVZCVODZ-HNNXBMFYSA-N 474.367 1.781 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(Cl)nc2)C1 1705925873 VNMLKKXZTHFZEB-DLBZAZTESA-N 482.994 1.489 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1705929119 ZXPHEGFBHSORSF-GOSISDBHSA-N 490.605 1.969 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1705934442 MVDHDRUXIPWFQC-CTNGQTDRSA-N 474.631 1.796 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@H](OC)[C@H](OC)C1 1705936579 ULMDFWCIPVVOTB-CEXWTWQISA-N 464.544 1.241 30 10 JDEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1705943640 GZLJYCIKSCBOQF-MRXNPFEDSA-N 469.571 1.854 30 10 JDEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)CC)cc1 1710542320 HJCAYGZDTHJIPL-VQIMIIECSA-N 463.560 1.980 30 10 JDEE CN(C)C(=O)COc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)c1 1710990543 HWDNLIRDKINZMH-IBGZPJMESA-N 451.531 1.484 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1722358920 GSQVORXEOQTZFW-NZQKXSOJSA-N 458.584 1.940 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1722364712 IWNKRMLFFQMCEL-GCJKJVERSA-N 476.624 1.372 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1722372468 XEEBVVOAVBAJFY-KRWDZBQOSA-N 486.623 1.989 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC(C)(C)C1 1722414128 WBBODYRXXHXLKJ-GOSISDBHSA-N 452.625 1.193 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C(N)=O)cc2)CC1 1722443102 CIADJTBBCKONEK-VWLOTQADSA-N 480.569 1.043 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1722451879 PIJMNYIKBJGRFW-YWZLYKJASA-N 467.592 1.492 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(=O)N(CC)CC)CC1 1722581531 IUZUZQIMPZAKPE-LJQANCHMSA-N 482.651 1.662 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1722700498 KTYQKNRMDCQRBV-UHFFFAOYSA-N 466.634 1.561 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722726079 YZVPUNLQFCUBSU-UHFFFAOYSA-N 489.989 1.786 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ncccn2)CC1 1722727632 NIONNCCAPFWKFE-UHFFFAOYSA-N 454.560 1.366 30 10 JDEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)CC1 1722826650 HJIIDQYDWSWJAO-UHFFFAOYSA-N 477.525 1.857 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740616063 RKFDQLQLORCLEE-ROUUACIJSA-N 497.581 1.448 30 10 JDEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1740623398 SOQUSHFXVXZTIT-SJORKVTESA-N 484.582 1.337 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740627746 SCPXMXIKYUYCNF-UONOGXRCSA-N 468.523 1.149 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCNC(=O)C1CCC1)[C@H]1CCS(=O)(=O)C1 1740628743 ZYBAIRCNPOZJAH-OALUTQOASA-N 463.604 1.105 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCN(C)C1 1740656208 IOBRNJPAJSFJBQ-DVECYGJZSA-N 472.590 1.116 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1740694218 CKEBTVRSMVXYHN-RBUKOAKNSA-N 452.550 1.631 30 10 JDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1740694990 ZLXHRDYQSUUWGM-MRXNPFEDSA-N 471.562 1.674 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1740696962 MKLHSINYYAYSJJ-QHCPKHFHSA-N 481.620 1.706 30 10 JDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1740948861 MLEQOSOZJCQPMD-UHFFFAOYSA-N 475.550 1.735 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCCN(c2ncccc2F)CC1 1740961389 AZTORAFIBDMOTQ-UHFFFAOYSA-N 450.522 1.817 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1740966504 ZGCVISYAUSHEGQ-HOYKHHGWSA-N 476.622 1.611 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740988575 JJLCCMKCOPIOBU-SFHVURJKSA-N 492.627 1.183 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740994074 MBDYCVXSBKOMEY-SFHVURJKSA-N 461.588 1.823 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCN(c2ccccc2)CC1 1748672044 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C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1749004851 OGWNPKQTRIWXOJ-SXLOBPIMSA-N 494.662 1.305 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCN2CCN(C)C(C)(C)C2)CC1 1749008535 BDWGNGWUJKFFLE-UHFFFAOYSA-N 466.634 1.275 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1749016454 DYZVRWGVTSLDOG-UHFFFAOYSA-N 495.647 2.000 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1749303200 FTKGTSWKWWIBFQ-QGZVFWFLSA-N 465.601 1.227 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1749354362 OKMXSUZNROGKIW-ROUUACIJSA-N 454.641 1.792 30 10 JDEE C=CCn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749645532 AOHVJLMOCDWZRM-IYBDPMFKSA-N 454.597 1.707 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749677437 ZHIZARVLDNUXQD-UHFFFAOYSA-N 473.585 1.606 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1749734514 KEWFCHJBRRDKQW-FQEVSTJZSA-N 473.599 1.274 30 10 JDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749745842 JKZVKBPCBLRRJA-GOSISDBHSA-N 479.628 1.609 30 10 JDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)C[C@H]1C 1749873493 HRNVVKLDAREVBD-HXUWFJFHSA-N 453.591 1.696 30 10 JDEE C#CCN(c1nnc([C@@H](C)CC)n1CC(=O)N1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1760183579 SADBCUBOGSZHRX-UNMCSNQZSA-N 498.653 1.767 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760186585 DTYRKLOBWYRWHX-DLBZAZTESA-N 461.592 1.194 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760187825 XZDSVOXUCVQAMT-QZTJIDSGSA-N 493.580 1.495 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)CN1CCOCC1 1760200367 FSYCVTQEHSPTTQ-LJQANCHMSA-N 469.615 1.279 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1760265031 LRGLTRCZROEWPW-LJQANCHMSA-N 485.633 1.421 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)s2)CC1 1760269963 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NVWBVVFPTWYRLR-PMACEKPBSA-N 473.599 1.700 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1760555754 MKOOLAJUYHVCEE-ZWKOTPCHSA-N 454.593 1.547 30 10 JDEE CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1 1760660890 IAKUGILNDLKUJE-XXBNENTESA-N 470.599 1.949 30 10 JDEE Cc1nc(CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@](F)(C#N)C2)n[nH]1 1762303548 ABZKUZUOXVHZGS-FQEVSTJZSA-N 457.901 1.973 30 10 JDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1ccco1)N(C)C 1768942832 GDPWXBNQMUIRJS-GOSISDBHSA-N 457.560 1.698 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1772567004 GJKSQVYAHDCLAB-FQEVSTJZSA-N 470.549 1.852 30 10 JDEE N#Cc1ccc(NC(=O)[C@@H](CO)NC(=O)C[C@@H](c2cccc(Br)c2)c2nn[nH]n2)cc1 1867251111 MMRQSNOGYMTSHJ-DLBZAZTESA-N 484.314 1.472 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)CC1 1890387937 ZIWXHVDHYHVVAV-UHFFFAOYSA-N 459.587 1.975 30 10 JDEE CC#CC[C@H](N)C(=O)Nc1c(I)ncnc1I 2008290972 COIYROVBSARXEB-LURJTMIESA-N 456.025 1.365 30 10 JDEE C[C@H](NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2256678561 DXKDDNMACFKGMY-GXTWGEPZSA-N 455.386 1.895 30 10 JDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 2267121834 CVXKDQKFDJIWRE-ZIAGYGMSSA-N 467.397 1.851 30 10 JDEE Cn1cc(C(=O)N=[S@]2(=O)CC[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267129024 WHHDIMNMAVOPOS-PVDMYPHGSA-N 468.385 1.625 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CO 2267291269 NVUJIIOGGHGNAV-HOCLYGCPSA-N 450.341 1.927 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2267371761 FKIXJTGNAGDLEL-GJZGRUSLSA-N 470.401 1.443 30 10 JDEE CN(CCNC(=O)OC(C)(C)C)CC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1 2268723647 XPUULTKYOPNQIR-UHFFFAOYSA-N 468.791 1.851 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCCN1C(=O)C(F)(F)F 2281981491 NUJRUYSZNUOGJM-ZDUSSCGKSA-N 458.290 1.875 30 10 JDEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H](O)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282042593 HXHAYJXKEKBACR-CYBMUJFWSA-N 484.790 1.427 30 10 JDEE Cn1cc(C(=O)NC[C@@H]2C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282049305 XSERDARETLLRHN-LZWOXQAQSA-N 464.372 1.113 30 10 JDEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282302001 JAZBIJOLQBCXOY-SWLSCSKDSA-N 477.314 1.601 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282319793 ZHRNRVMWWUFNMR-AWEZNQCLSA-N 485.416 1.134 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCC[C@@H]2CCN(Cc3ccccc3)C2)n1 2282508333 VADRUGPMZWNYOO-LJQANCHMSA-N 474.436 1.910 30 10 JDEE Cc1nn(C)c(C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2282555987 AYMBZYYXTRNMOC-CYBMUJFWSA-N 458.290 1.558 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2282834494 VLPGOEYINVWBLQ-UONOGXRCSA-N 485.416 1.086 30 10 JDEE C[C@@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@@H](C)N1C(=O)OC(C)(C)C 2282850379 OFEQVJOVCPGXJA-HUUCEWRRSA-N 484.428 1.738 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)CO[C@H]2C1 2283072477 PUKPOLIMMJZSRI-ZNMIVQPWSA-N 460.340 1.140 30 10 JDEE COc1ccc(S(=O)(=O)N=C2C=C3N(CCO)CCO[C@@]3(O)c3ccccc32)cc1[N+](=O)[O-] 2293308492 MHANBCBILWSWAU-NRFANRHFSA-N 475.479 1.149 30 10 JDEE COCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(O)c(OC)c1 2296235667 PMZOKMVHUDYXQA-FQEVSTJZSA-N 490.534 1.719 30 10 JDEE O=C1C(=O)N(CCCN2CCOCC2)[C@@H](c2ccncc2)C1=C(O)c1ccc2c(c1)OCCO2 2296580540 YEENCJJQIVSWOE-QFIPXVFZSA-N 465.506 1.997 30 10 JDEE Cn1c(=O)nc(O)c2c1nc(NN=CC(Br)=Cc1ccccc1)n2C[C@@H](O)CO 2296927178 XDPZGGBQKUXZAE-CYBMUJFWSA-N 463.292 1.023 30 10 JDEE C=CCN1C(=O)C(=CC(=O)OC)SC1=Nc1ncn(CC(=O)OCC)c1C(=O)OCC 2297508307 YCXKXKJSOXWQDP-UHFFFAOYSA-N 450.473 1.429 30 10 JDEE CC1(C)OB(c2sncc2C(=O)N[C@]2(C(=O)O)CCN(Cc3ccccc3)C2)OC1(C)C 2337394030 HNESIARUTNPJLB-JOCHJYFZSA-N 457.361 1.901 30 10 JDEE COC[C@]1(C)C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2364200800 XVKSVZAMOYHWTF-FPTDNZKUSA-N 464.372 1.853 30 10 JDEE COc1ccc(NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2365286171 GIYUOZLXUBMDPX-OAHLLOKOSA-N 463.340 1.702 30 10 JDEE COc1[nH]c(=N[C@@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)ccc1B1OC(C)(C)C(C)(C)O1 2365348998 XYNHRJGYPDTYNU-DJIMGWMZSA-N 461.368 1.858 30 10 JDEE COC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(OC(C)=O)c4ccccc43)c(=O)n2[C@@H]1c1ccccc1 631382 ATTKTZOUJMDRAQ-YDJIHCHBSA-N 489.509 1.603 30 10 JDEE CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 139538180 JRWHYZMBJNXZOF-ROBTVKRXSA-N 450.503 1.437 30 10 JDEE in-vitro CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1cccs1 729669670 BDYMXTXKZXSULY-UHFFFAOYSA-N 493.614 1.713 30 10 JDEE C[C@](O)(CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccccc1Br 1183284283 DKRYJHZBGONHBG-SFHVURJKSA-N 452.330 1.623 30 10 JDEE C=CCN(CC(=O)N(c1ccc(C)c(C)c1)[C@H]1C=CS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1191682113 MCNYDZOBGQQKDT-PMACEKPBSA-N 452.598 1.622 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(CC)noc2C)c1 1286308377 IOLTUQQRBSUGIZ-OAHLLOKOSA-N 499.597 1.852 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1286349135 FBKFGJAFHMMSKP-OALUTQOASA-N 476.647 1.163 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC(C)C 1286380111 INQHJBXGQOYAEF-INIZCTEOSA-N 454.597 1.747 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1286389597 MWVYIRHGEIEMMW-SFHVURJKSA-N 489.602 1.172 30 10 JDEE C#CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1286391137 CTIDSJHCSIGSSW-ROUUACIJSA-N 497.618 1.250 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCO[C@H](C)C1 1286403834 MFSBPWYOIFPTNU-HXUWFJFHSA-N 459.558 1.495 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(COC)c1 1286727287 OSFQCUIFWVOCCL-SFHVURJKSA-N 453.540 1.567 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](COC)C1 1286788420 WBTGJNIOSHNKDN-ZWKOTPCHSA-N 478.594 1.546 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1286808878 FGIYVVIKVKFELX-OALUTQOASA-N 461.588 1.844 30 10 JDEE CN(C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1)S(C)(=O)=O 1298547732 HDOZIUHCWGYEFP-GCJKJVERSA-N 490.655 1.793 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1300411165 RIBZVBYRVKGAJF-FQEVSTJZSA-N 475.619 1.446 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1300482395 FMPRWRODJXHRJY-GOSISDBHSA-N 456.484 1.825 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](OC)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1300491849 JBGLPVDPBQMRQJ-FHWLQOOXSA-N 492.001 1.897 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1300504962 WRBVCLWVARCRIQ-PGRDOPGGSA-N 495.001 1.943 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C(N)=O)cc2)CC1 1300685412 MVAFSRBXVUERMC-XMMPIXPASA-N 452.559 1.221 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2CN(CC)CC)CC1 1300700748 VODQITBPZNJXRR-QHCPKHFHSA-N 484.670 1.826 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCS(=O)(=O)NC)CC1 1300726990 SXEBVLWRGXYJLQ-UHFFFAOYSA-N 479.006 1.037 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCN2CCOC[C@@H]2C)CC1 1300731781 UZZMBFQAYAJPDG-IBGZPJMESA-N 484.576 1.683 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1300754711 FSCSOHSYNPUBQZ-GHTZIAJQSA-N 470.647 1.424 30 10 JDEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1301433245 OESWKAMZUMRBKF-KRWDZBQOSA-N 472.521 1.251 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1301509751 MTWISAYBOIGNHP-UHFFFAOYSA-N 452.559 1.916 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC2(O)CCOCC2)C1 1301566145 MUOXBKQCRQOFDD-QGZVFWFLSA-N 461.588 1.983 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H](C)CN1CCOCC1 1303753957 FWYGLKXNBBOARJ-HXUWFJFHSA-N 480.617 1.583 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 1311640168 BHUITJFQWKWQDV-QGZVFWFLSA-N 458.519 1.195 30 10 JDEE CCCNC(=O)Cn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1313498897 ARLDEJTZQOPUBZ-HSZRJFAPSA-N 468.562 1.050 30 10 JDEE C#Cc1ccccc1CC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 1357800471 ZTMPNCYCHMMMPC-UHFFFAOYSA-N 450.538 1.131 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1358885809 RFPUCLXYLPHTEV-OAHLLOKOSA-N 454.556 1.475 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2(O)CCCCC2)c1 1358902163 GMPCTZREZRQOBZ-IBGZPJMESA-N 450.543 1.981 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(C)CN(C)C2=O)c1 1358903133 LZSKLSWOSZVJSW-RUZDIDTESA-N 474.569 1.674 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1358930473 WFDRXZBOIHAKTK-FQEVSTJZSA-N 490.674 1.507 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1358968299 GMMSOVHNXACDSI-HXUWFJFHSA-N 482.032 1.960 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCOCC1 1359023774 WAKHWRQFFPDVLF-IBGZPJMESA-N 479.585 1.246 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2CN2CCC(O)CC2)CC1 1359028386 QHJBJRHTYNERGF-UHFFFAOYSA-N 479.629 1.177 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccnc2OCCC)CC1 1359040281 OCZGMURFLTVIJN-UHFFFAOYSA-N 467.574 1.614 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(NC(N)=O)cc2)CC1 1359047546 KVMFEHVBIPFDNQ-LJQANCHMSA-N 451.531 1.634 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1359102339 AEHATPIBGSUNNQ-GHTZIAJQSA-N 457.556 1.945 30 10 JDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1359122137 ZUKJSAODUMTKGX-QGZVFWFLSA-N 477.562 1.623 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1359296994 AYGXAAIVHRRQHP-MRXNPFEDSA-N 451.535 1.471 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359304172 OWPFRGRWLKPOLM-SFHVURJKSA-N 458.544 1.044 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 1359311546 CRZRYTQKBKGHSV-MSOLQXFVSA-N 486.539 1.949 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359329895 YMOBLJCYNFVNRY-UHFFFAOYSA-N 492.627 1.278 30 10 JDEE CC(C)N1CCC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 1360136542 GSIDKWUBORIYGL-HXUWFJFHSA-N 451.575 1.754 30 10 JDEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 1470489860 RJSSMVPWRHSIKG-IRFCIJBXSA-N 450.605 1.855 30 10 JDEE CCS(=O)(=O)NCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1503276829 DGVHUGHZORAWJB-WMLDXEAASA-N 452.512 1.225 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)CC2CC2)c1 1507549995 RWDRVWLZGANVIO-UHFFFAOYSA-N 481.582 1.560 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 1507631443 DNHYTRFJQXFYMA-WMLDXEAASA-N 484.550 1.133 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCC[C@@H](C)C2)CC1 1507733572 DCTDYVMMOZTXRO-OAQYLSRUSA-N 483.661 1.992 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1507744760 WFOSSBMXWITUSJ-QFIPXVFZSA-N 482.570 1.106 30 10 JDEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507824508 AQDNZOXZFRUFJW-UHFFFAOYSA-N 498.584 1.818 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1507844567 LVDXAIYYROINKX-QZTJIDSGSA-N 464.592 1.923 30 10 JDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1507897194 GOZOTEWXSGRCCQ-OAQYLSRUSA-N 454.593 1.272 30 10 JDEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCN(C)C1 1508037452 LPRNXZOYQFVDPJ-IBGZPJMESA-N 453.385 1.752 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2ncccn2)CC1 1508073924 NDYTVMDGBHPZLN-UHFFFAOYSA-N 464.530 1.381 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2nccs2)C1 1508143014 IPBQOSWNXGVODU-HNNXBMFYSA-N 466.589 1.036 30 10 JDEE C[C@H]1COCCN1CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1508415360 BBNIQOQLQLLZJB-IRXDYDNUSA-N 450.547 1.509 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CCc2cccs2)C1 1519562235 FLYFTAGJFNYUFY-KRWDZBQOSA-N 450.590 1.655 30 10 JDEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539133111 DYDALWPGZFASPG-LJQANCHMSA-N 464.570 1.849 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C(C)(C)C)n1 1539180069 WDNGVOQQBUJJGY-INIZCTEOSA-N 466.633 1.677 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1539205571 IWDFDKUWWBMPEW-FQEVSTJZSA-N 499.618 1.613 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1539211237 JMYSTGZQCSJMSL-MRXNPFEDSA-N 461.563 1.873 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1539229282 BGSISJOGAJFXLQ-IBGZPJMESA-N 468.583 1.878 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1539231948 ZITWLZFKJRHCFE-UXHICEINSA-N 474.583 1.516 30 10 JDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1539238473 YBGOJPKPVLEDDW-CJFMBICVSA-N 464.570 1.671 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnccn2)CC1 1539599337 DJAOUFYWGUYWLC-CQSZACIVSA-N 468.381 1.205 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539622998 JLDBICZOQPCNPJ-YADHBBJMSA-N 491.596 1.971 30 10 JDEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)COC)CC1 1539801653 FLYCKAISQQEFLG-UHFFFAOYSA-N 460.970 1.500 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1540869833 YLTJASIGPDDFII-SFHVURJKSA-N 452.563 1.533 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C(C)(C)O)c2)C1 1540882465 IZRXTMJQXWETAT-LPHOPBHVSA-N 463.604 1.945 30 10 JDEE Cc1cccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2CC(=O)NC(C)C)n1 1542628210 AXBKPYIVIMNCMS-KRWDZBQOSA-N 460.546 1.550 30 10 JDEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1552890575 IEURITVNBZKNJF-FQEVSTJZSA-N 487.630 1.685 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCC(C)CC1 1587638695 GZCRWIJAYISIOR-OALUTQOASA-N 452.625 1.191 30 10 JDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1587847239 GOWGJQICBOXMHC-GOSISDBHSA-N 457.604 1.956 30 10 JDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)COC)CC1 1587856681 PKNJEZKFGNCGOB-UHFFFAOYSA-N 452.563 1.161 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1588024472 DSPDWWDZDCAOCL-GOSISDBHSA-N 459.572 1.294 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1588030462 VWASZOWJBJEEFP-OALUTQOASA-N 485.614 1.427 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(N3CCCC3=O)c2)CC1 1588751552 LYKNXSVEMGKERE-HXUWFJFHSA-N 466.586 1.932 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1588877139 WTQCCZAFEIMTPH-HXUWFJFHSA-N 459.572 1.367 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2cccc(OCC(N)=O)c2)CC1 1588930045 MCEMHWUIJCDREQ-UHFFFAOYSA-N 464.570 1.814 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)c2nc(C)cs2)CC1 1588961627 GRAKGQDGFWJWSQ-INIZCTEOSA-N 469.615 1.935 30 10 JDEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1589715233 GLXHUXORUPZLPV-UHFFFAOYSA-N 481.648 1.641 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1595497168 RWEADXBSULSDOP-XXBNENTESA-N 495.628 1.635 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1 1596831014 HNTJCBMSOPEQLL-QAPCUYQASA-N 450.540 1.589 30 10 JDEE CS(=O)(=O)c1ccc(OCCn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1620149377 BUCLGKYXFFPFQU-LJQANCHMSA-N 468.539 1.475 30 10 JDEE C=CCOC[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1)C(=O)OC 1626205123 XHZIADJSAOTWCB-QGZVFWFLSA-N 454.545 1.734 30 10 JDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCCN(CC(=O)N4CCCC4)CC3)CC2=O)cc1Cl 1628306122 APVNJGMGEYESKA-SFHVURJKSA-N 457.962 1.721 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)s1 1629588938 SFSHZGJRXFAVGR-UHFFFAOYSA-N 451.545 1.879 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3cccs3)nc3c2cnn3CC)CC1 1632960211 DDJYMHSWPDDWCK-UHFFFAOYSA-N 458.569 1.405 30 10 JDEE C#CCOCCN(C)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1637864604 JFWDPAXQXORFRD-INIZCTEOSA-N 459.362 1.090 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1689983977 IRLUVQRDLRSLGF-FQEVSTJZSA-N 455.584 1.660 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689988711 UUUKCAZQANFTRT-IRXDYDNUSA-N 494.618 1.161 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1CCS(=O)(=O)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689991157 XBZJKAZPTNTQGE-HXUWFJFHSA-N 476.624 1.787 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1689994293 VQOZVOLTSHNQSC-QFBILLFUSA-N 452.627 1.425 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccccc1 1690019713 PYFRNDKGTVIMQZ-HXUWFJFHSA-N 457.556 1.153 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2cccc(F)c2)CC1 1690047828 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C#CCN(c1nnc(CC(C)(C)C)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286394236 OBPWDLQFKDZGKA-ZCNNSNEGSA-N 465.664 1.993 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1286460583 GWMCDRRZSOXJLQ-KRWDZBQOSA-N 472.512 1.253 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(OC)nc2OC)CC1 1286491393 PWALPEIWXICPPQ-UHFFFAOYSA-N 475.553 1.690 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)N1CCSCC1 1286528061 OUHZYAJSBPXZPS-OAQYLSRUSA-N 477.660 1.510 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)CC1 1286557856 XZWJFDRQKNWRJB-ZCNNSNEGSA-N 467.636 1.320 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1286780424 OGHQBOBYYZKUDM-MOPGFXCFSA-N 489.646 1.291 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1286787603 XFGUTUNCDLVRHO-ZWKOTPCHSA-N 455.563 1.318 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1286814265 OOSKQUGDQXZPBY-VGOFRKELSA-N 494.639 1.910 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1286819517 NAAYERUCOWIQKE-SFHVURJKSA-N 488.614 1.830 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)Cc1ccccc1 1286967049 CCYUIQXWUFJZHD-MJGOQNOKSA-N 479.628 1.781 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2C[C@H]2COCCO2)c1 1300331975 VMVUWEFGFKXSGV-FQEVSTJZSA-N 468.558 1.668 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCOC[C@H]2C)c1 1300332705 LIUHERONDBOCKJ-XLIONFOSSA-N 465.558 1.006 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(F)cc2)CCOCC1 1300465600 PEOITEJVOPKDEW-FQEVSTJZSA-N 491.589 1.568 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1300478886 FUBCDOWDFDNCQP-NRFANRHFSA-N 498.609 1.342 30 10 JDEE C#CCN(c1nnc(-c2ccc(F)cc2Br)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1300488364 DDQSFEPUWXVYQR-CQSZACIVSA-N 483.363 1.998 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccnc(OCC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1300495235 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C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1300763905 UGVWOLXBXMMQJB-CABCVRRESA-N 481.566 1.756 30 10 JDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1300843062 AEGUCQGYKATAOW-CVEARBPZSA-N 467.412 1.870 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1S(=O)(=O)N(C)C 1300915225 KBDLGBZYWSWLOV-GOSISDBHSA-N 481.644 1.881 30 10 JDEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)NCC)CC1 1300990284 IZBGYDCJLPXBLK-NRFANRHFSA-N 470.574 1.641 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1301150875 CRPZMLFXFSICNL-SQNIBIBYSA-N 471.624 1.453 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1301499105 XJADDQKFLJTPEX-SFHVURJKSA-N 472.594 1.132 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1301587312 MVXYAQIEIFMQTD-MOPGFXCFSA-N 479.553 1.995 30 10 JDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CC1 1314544972 DOACPSONNGJSIS-UHFFFAOYSA-N 480.616 1.160 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCCCC2)C1 1314674023 FJLWVVDXMDBAGU-HXUWFJFHSA-N 457.604 1.773 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1358912867 ZUIOUARGEYAFJN-IPMKNSEASA-N 465.620 1.351 30 10 JDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)n(C)c1=O 1358949520 FOJLIEMFRSDKLD-GOSISDBHSA-N 456.547 1.711 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1358956060 ZDQUJDORKPYZTD-IBGZPJMESA-N 455.584 1.775 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCCN1CCCC)[C@@H]1CCS(=O)(=O)C1 1358960713 KEOWHUPBFOEZGZ-NHCUHLMSSA-N 473.647 1.960 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1358964803 HPTRZKSUNPPHRX-HXUWFJFHSA-N 453.572 1.555 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358966115 ICGBFMUCRLXCDO-NHCUHLMSSA-N 473.647 1.641 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1358978002 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RTSOAZQSSNGZES-UHFFFAOYSA-N 488.614 1.536 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1359300735 IZZQFIZLTPEKIT-IRXDYDNUSA-N 490.561 1.809 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCS[C@@H](C)[C@@H]1C 1359330770 CMXMCRNEYYMQJF-KBPBESRZSA-N 453.590 1.937 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccccc2)C1 1359334782 QTNYSXFVEFXYRE-LJQANCHMSA-N 459.572 1.579 30 10 JDEE CS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)c1 1473172038 CCQPYUVBHAPUIK-GOSISDBHSA-N 458.565 1.587 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1507562985 CCCCIMRTWQJUDM-OALUTQOASA-N 494.662 1.546 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1507563856 JJXFFKAHLNJHMZ-ZWKOTPCHSA-N 471.649 1.092 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(C)CCCS2)CC1 1507737049 XJYPZGNQKBKSBC-YWZLYKJASA-N 468.649 1.140 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCNC(=O)C(C)(C)C)CC1 1507740425 MJXXWXUJPYTEEN-UHFFFAOYSA-N 499.641 1.398 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1507752206 WVATXJZVFGFFHA-GAJHUEQPSA-N 490.630 1.669 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cnccn1 1507796997 KCYLBBIAFUKBJG-RLLQIKCJSA-N 491.618 1.061 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cnn(CC)c2)CC1 1507867809 CEHQEKAOODRNGJ-GOSISDBHSA-N 484.026 1.964 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CNC(C)=O)C1 1508144827 YBYPCDGOPUZVNU-LJQANCHMSA-N 463.608 1.093 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccn(-c2ccc(F)cc2)n1 1510216822 DCDKAOFTDGHTLL-BEFAXECRSA-N 488.549 1.185 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N1CCN(c2ccccc2)CC1 1538966364 YGJOCTFXDZCMKF-IBGZPJMESA-N 472.553 1.732 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCNS(=O)(=O)c1ccccc1 1539004507 UEIMLHGARBTKPD-HNNXBMFYSA-N 456.528 1.442 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)COC)c1 1539042339 FFQKREITWCTOGK-FUHWJXTLSA-N 459.572 1.519 30 10 JDEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539097593 SESSPHMJIAYSCC-UHFFFAOYSA-N 474.363 1.376 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539203202 ODZUKZKKDDTJEB-GOSISDBHSA-N 499.597 1.001 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1539210348 BTAKGNGWHGEURR-SFHVURJKSA-N 496.593 1.930 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1539212668 XAPHDPNLKGKRRG-UTKZUKDTSA-N 457.581 1.936 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1539220524 KIBOXKFACCYRJT-QZTJIDSGSA-N 457.556 1.303 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(C(=O)NCC)c1)[C@@H]1CCS(=O)(=O)C1 1539226009 SENRAAKFNHACTM-JOCHJYFZSA-N 492.605 1.689 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1539265918 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C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1C(=O)NC2(CCCC2)C1=O 1690030363 SIHGDSCBHUKKOQ-OALUTQOASA-N 468.558 1.330 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCS(=O)(=O)N(C)C)CC1 1690111536 DKWDCAXPTWYPRK-KRWDZBQOSA-N 464.567 1.204 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(O)cc2)CC1 1690137244 RFNHURGMGBGWAZ-UHFFFAOYSA-N 452.559 1.916 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690238714 MUIUKTHVKFJRHE-MTBKGUCKSA-N 490.605 1.798 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC(N)=O)CC1 1690678079 JZYCOTIJQRFCGJ-KRWDZBQOSA-N 475.594 1.744 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cnc(C)s2)CC1 1690729822 SQUAFIUOSAMINU-UHFFFAOYSA-N 493.659 1.088 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc(C)c(C)s1 1705495047 KAJWULXRKZHUPM-XJKSGUPXSA-N 452.606 1.385 30 10 JDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705522869 NVUIORPCIFLRPH-GOSISDBHSA-N 461.592 1.486 30 10 JDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1705538505 RBCWSXFRVPWMFL-RTWAWAEBSA-N 469.634 1.631 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC1(S(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1705561368 PHVCMWOIDHSQPB-QGZVFWFLSA-N 483.015 1.802 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCN(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1705563034 PKAJBINSWSJZFB-LJQANCHMSA-N 466.007 1.803 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1705563313 VAUGTWMMFCEBMH-UTKZUKDTSA-N 463.629 1.911 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OC(C)(C)O2 1705583494 ZKDULVOHRVEHBX-HXUWFJFHSA-N 485.566 1.239 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)c2ccccc2)CC1 1705652604 GTMHCEGXKHRYPG-WDZJFXIESA-N 481.597 1.876 30 10 JDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705655625 ODMZTKKTQHFFBD-INIZCTEOSA-N 479.628 1.799 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1705662360 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1722360067 CSAHLNQFTSFQML-ICSRJNTNSA-N 452.540 1.750 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1722363586 GOKLHVQDFXBSPW-GCJKJVERSA-N 462.572 1.895 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722364230 JYWRGBXZPMGFTR-OFNKIYASSA-N 458.584 1.994 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722366146 PYHYSNFRMOLNOE-RIFZZMRRSA-N 450.586 1.097 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1722372094 OYSMALVNUNMILP-IRXDYDNUSA-N 468.530 1.191 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCNS(=O)(=O)c1ccc(C)s1 1722397960 PSGUZTQYLOOAGN-MRXNPFEDSA-N 460.585 1.041 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(NC(C)=O)cc2)CC1 1722446148 PAZOWJCUWVSKLO-UHFFFAOYSA-N 460.542 1.651 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSCCS1)C1CC1 1722651022 OXUKDAAENCUXFF-JKSUJKDBSA-N 459.663 1.614 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)COC1 1722673429 RJZQFCGGYSHUHN-FQEVSTJZSA-N 475.615 1.883 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1722692830 YGWCVVAKRXKIFM-UHFFFAOYSA-N 471.606 1.482 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc2cnccc2c1 1722699751 XWHONBNAOOJLOD-FQEVSTJZSA-N 499.597 1.098 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1722700494 KSOWFYMAWOQSOY-SFTDATJTSA-N 494.644 1.193 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722703939 LUNFIZNEYHSMNQ-YESZJQIVSA-N 491.593 1.628 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1722712831 ADZOAKLYIDQQKG-VQTJNVASSA-N 468.558 1.564 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCCCC2)C1 1722719251 RWZFBCGCVYZDSN-VQTJNVASSA-N 482.651 1.268 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCSCC1 1722728635 SMMDUHXFZCUCDI-UHFFFAOYSA-N 463.633 1.606 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1722728817 BEGKBPBFCJGIMN-LJQANCHMSA-N 460.604 1.023 30 10 JDEE CCc1nn(C)c(CC)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1727478463 BFDGIHSJMIZOSP-QFIPXVFZSA-N 492.584 1.587 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCC(O)CC1 1740531053 DQEWWZSRYSRDAT-LJQANCHMSA-N 450.587 1.977 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1740589960 DONHICMVFUCJFG-RTWAWAEBSA-N 457.600 1.449 30 10 JDEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740595492 FPGLACKRLWXLGR-UHFFFAOYSA-N 480.613 1.868 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccc2ccccc21 1740610646 HTVMLXWWLPTFFJ-FQEVSTJZSA-N 456.572 1.725 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CC(=O)NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 1740620867 SLEGRZZNENTNOE-GOSISDBHSA-N 453.524 1.481 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(NC(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1740621881 PSGQZFAPLNKPGT-GOSISDBHSA-N 465.539 1.506 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1740624789 LTPJLOQPIBLGSY-SFHVURJKSA-N 458.613 1.956 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1740626987 DMLJFNNUWBYNIZ-OALUTQOASA-N 457.556 1.780 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)N1CCOCC1 1740638646 NDGLFKJJRZVHFL-UHFFFAOYSA-N 473.537 1.168 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)CC1CC1 1740676754 LMJSUEPIWQKXOW-IBGZPJMESA-N 459.547 1.833 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCS(=O)(=O)NC(C)C)CC1 1740691837 AGFFFSXPJSKZJT-UHFFFAOYSA-N 495.447 1.791 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCN(C)CCCOC)CC1 1740692054 DOBZUVZUBGBXLL-UHFFFAOYSA-N 478.439 1.770 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)C(C)(C)C 1740774228 OXSFEMMRPHBTMO-INIZCTEOSA-N 456.613 1.176 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCCC2=O)CC1 1740875620 GTKWLINBZPUFBQ-GOSISDBHSA-N 466.608 1.168 30 10 JDEE C=CCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1740947134 RTKSYNJDVIXRNH-LTIDMASMSA-N 467.592 1.832 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2)[C@H]1C 1740960287 OXBNEXGGVQPYTL-HOJAQTOUSA-N 488.614 1.296 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 1740967215 ZWHNCVOINUPUTA-QFBILLFUSA-N 474.587 1.312 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(COC)c2)C1 1740982972 ZDEMYBUHRQFHBB-LEWJYISDSA-N 491.614 1.587 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCS(=O)(=O)C1 1748651270 KMMMBQNARQGNHQ-IAGOWNOFSA-N 479.628 1.478 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccnn2C)CC1 1748751130 CORZIWWACCCOPK-LJQANCHMSA-N 461.592 1.142 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1749006482 PAHQNTBKTQZBPZ-OSPHWJPCSA-N 453.543 1.459 30 10 JDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1749033831 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C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCCCCO)[C@H]1CCS(=O)(=O)C1 1760187382 VOSZANYLWXFZOE-GHTZIAJQSA-N 474.583 1.970 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1760187769 GFASKLWNIQGPCL-SFHVURJKSA-N 452.540 1.749 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([S@@](C)=O)CC1 1760249576 OMQQKHQRYICYOQ-JGCGQSQUSA-N 457.604 1.449 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCNC(=O)C2CC2)CC1 1760255216 WDPFJMCCPCRALU-UHFFFAOYSA-N 457.376 1.989 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1760520696 WYRBQXXJAYZIBE-WOJBJXKFSA-N 480.617 1.269 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC)[C@H](C)C1 1760523731 GWFSHYVFBNUCRA-GOSISDBHSA-N 453.595 1.285 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(=O)NC(C)C)C1 1760539953 YEVAMYSXRDVKKW-GOSISDBHSA-N 476.603 1.501 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1760548605 LRHPKFCZTWGONT-GOSISDBHSA-N 488.614 1.710 30 10 JDEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1760600839 GSOKXACMHWFVML-UHFFFAOYSA-N 494.644 1.813 30 10 JDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1764696557 AGAFPIZCBCZLRP-XMMPIXPASA-N 478.557 1.693 30 10 JDEE COc1cc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1O 1862565496 YSULGWWBIODKBP-NRFANRHFSA-N 483.521 1.902 30 10 JDEE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C(=O)Nc2ccc(C#N)cc2)cc1 1866582676 YZXWGCKJRSAPLX-UGKGYDQZSA-N 483.546 1.974 30 10 JDEE N#Cc1cccc(NC(=O)[C@H](CO)NC(=O)c2cc(N3CCCCS3(=O)=O)ccc2Cl)c1 1866631341 PWZFIGLALNMHMW-IBGZPJMESA-N 476.942 1.871 30 10 JDEE C=CCn1cc(OCC(=O)Nc2ccc3c(c2)OCO3)c(=O)cc1CN1CCN(C(C)=O)CC1 1870434399 LLWCQSBTJQEISV-UHFFFAOYSA-N 468.510 1.445 30 10 JDEE C=CCn1cc(OCC(=O)Nc2ccccn2)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1870933622 NFKDWYYQIXJKSG-UHFFFAOYSA-N 469.523 1.706 30 10 JDEE C=CCN(CC=C)C(=O)c1nonc1OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1872682630 JGPGLFNBQBVAPX-UHFFFAOYSA-N 452.471 1.699 30 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C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(-c2ccccc2)no1 1300539144 ZDHYLMXSEUGSFN-NRFANRHFSA-N 480.550 1.387 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1300692272 BVJNVCQWAOLPCY-UHFFFAOYSA-N 451.556 1.052 30 10 JDEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1300856365 CCFZTKQSXFDPSR-UHFFFAOYSA-N 465.396 1.847 30 10 JDEE C=C(Br)Cn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@]1(OCC)CCOC1 1300861376 HUQWHYRIZOPHGC-SFHVURJKSA-N 456.341 1.918 30 10 JDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1N1CCOCC1)C1CC1 1301314663 ZQEQUHVBRZGIBH-MRXNPFEDSA-N 461.592 1.323 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOC2=O)cc1 1301423711 BSSVWFTUXPLVDJ-SFHVURJKSA-N 475.571 1.824 30 10 JDEE C=CCn1c(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301473989 PWAVUAATPLKELR-XUZZJYLKSA-N 462.639 1.736 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1301491677 NNLAQHZRQCMDTP-LJQANCHMSA-N 465.602 1.817 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccccc1 1301501017 SKMNGSGLWMFNMV-SJLPKXTDSA-N 462.576 1.111 30 10 JDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 1301519563 UWVPWEXTDVJTBA-KRWDZBQOSA-N 471.587 1.762 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1301593841 VHTHNBVCMGSDDY-ROUUACIJSA-N 477.562 1.844 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1314557475 GOEMCDPLNTWRDP-KKSFZXQISA-N 460.560 1.140 30 10 JDEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)C1 1316335584 FUEFOQQBODZVSC-OAQYLSRUSA-N 472.615 1.943 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1358956972 NOKDROSSXITJPU-INIZCTEOSA-N 481.420 1.758 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1358967159 FKNXRUQOAXDCHW-GUDVDZBRSA-N 475.619 1.505 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CC 1359025176 FXUHZOBSOSULRT-FQEVSTJZSA-N 461.588 1.308 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1359048388 PAKZMFFJCYOMPA-UHFFFAOYSA-N 468.583 1.549 30 10 JDEE C#CCSCCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1359054102 JTLUFPHDLHEKBL-GHTZIAJQSA-N 453.616 1.695 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1359297354 NQUSCDXVLIYJPE-UHFFFAOYSA-N 463.546 1.912 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1359309508 USYLYMMASPOSHH-BSRJHKFKSA-N 491.614 1.886 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1359330300 NQPVCMSYKLWHPS-UHFFFAOYSA-N 484.582 1.552 30 10 JDEE CC(C)CC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1359895411 CADQKRHBILHHCE-ZWOKBUDYSA-N 456.613 1.394 30 10 JDEE C#CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O)[C@@H]1CCS(=O)(=O)C1 1435070256 YIIWFEYLBWXGCR-XXBNENTESA-N 453.520 1.256 30 10 JDEE C#C[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 1450360065 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C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CCC[C@H]2C)c1 1587693294 RCKYLDUSFJRWRT-LNZPYGSCSA-N 450.543 1.837 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1nc(C(F)(F)F)cs1)[C@@H]1CCS(=O)(=O)C1 1588025370 XUNRRQYFKDXXGM-GFCCVEGCSA-N 490.533 1.567 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1588029070 DDHRTNCJIJTXRI-UHOSZYNNSA-N 465.620 1.638 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1588058947 GAPNDSFWILXOKY-JKSUJKDBSA-N 450.511 1.953 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588064393 HLEYLEJOLSKGFT-MSOLQXFVSA-N 451.618 1.932 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1588070171 XCMGFWHGFLAFLG-OFNKIYASSA-N 458.584 1.496 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2F)C1 1588645573 ARAXDWCVPYDWFQ-DBXWQHBBSA-N 491.589 1.955 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)cc2C)CC1 1588811994 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C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1595497224 UGXVXTLSKJGCKW-XUVXKRRUSA-N 488.614 1.216 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1595523012 MGLZZCCMWVCQNH-QGZVFWFLSA-N 474.009 1.937 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1595523548 YGYDGDRVWUTRPG-UHFFFAOYSA-N 463.521 1.627 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)Cc1ccon1 1595537239 OHMFXDJAEOBRNU-UHFFFAOYSA-N 462.514 1.992 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(O)CCS(=O)(=O)CC2)C1 1595700351 NACKGQRVKNJBRJ-GOSISDBHSA-N 492.598 1.683 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1595812015 KPIQKFYZNMDSKU-SFTDATJTSA-N 474.631 1.412 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1595812508 WMBKUVXGMHKLSR-QUCCMNQESA-N 460.604 1.022 30 10 JDEE COc1cc2c(cc1S(=O)(=O)N(CCN(C)C)Cc1cccc(C#N)c1)C(=O)NCCC2 1653559678 FETNSRMIMQHBAI-UHFFFAOYSA-N 456.568 1.995 30 10 JDEE C#CCCCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1689885533 LULDZDGJLFOTFB-KNQAVFIVSA-N 450.591 1.918 30 10 JDEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1689898169 VXBCVMWXJGWRDL-UHFFFAOYSA-N 451.510 1.147 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCCN(CC)S(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1689986016 GZCWWULJGXIBCB-KRWDZBQOSA-N 497.618 1.383 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1c(F)cccc1F)N(C)C 1690032463 BTJPMRKXLYNUIM-QFBILLFUSA-N 478.569 1.932 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCS(=O)(=O)N(C)C)CC1 1690114958 MPDACKUOONZNGQ-QGZVFWFLSA-N 476.672 1.778 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2cnnn2C)CC1 1690152808 YJMPQIOHTPBKDH-UHFFFAOYSA-N 462.558 1.617 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1690245531 JPOFOYKPYCZVMI-KNKQGSTJSA-N 473.622 1.201 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(OCC(N)=O)CC1 1690250052 CPGYSYKKLSJBLV-HRAATJIYSA-N 488.614 1.722 30 10 JDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cn3ccccc3n2)CC1 1690299123 GEPBNOFSSWZMCE-UHFFFAOYSA-N 466.590 1.979 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1690419952 GHPDTEQMBFONBL-ZACQAIPSSA-N 492.650 1.995 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1690675014 NNEYLQCVDFLORH-QGZVFWFLSA-N 495.613 1.467 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1690724090 HZBWALSYNCZVLC-UHFFFAOYSA-N 475.619 1.970 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1690726463 BCPTVZMFJUYDBG-UHFFFAOYSA-N 458.588 1.360 30 10 JDEE Cc1ccc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCS(=O)(=O)N(C)C)o1 1693070431 ABLHBHMLBREUSE-UHFFFAOYSA-N 470.559 1.331 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccccc4)n3CCS(=O)(=O)N(C)C)CC2)c1C#N 1693405728 DYKVNSYPOPKQQY-UHFFFAOYSA-N 483.602 1.077 30 10 JDEE CCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1695071455 FLWSEXHUJCIENA-DEOSSOPVSA-N 451.575 1.768 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1705560714 MVMWXSDRTUSXTJ-IRXDYDNUSA-N 456.528 1.245 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1705561056 MYJRJJQENMBDGC-SIKLNZKXSA-N 459.572 1.309 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1705567884 BLQAMWFMOSOKNZ-QGZVFWFLSA-N 460.556 1.529 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1705570126 MWGUKBVOADLRED-HXUWFJFHSA-N 469.567 1.873 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1705588416 FBMCFDAANOEKCV-GFCCVEGCSA-N 491.927 1.805 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(C(C)=O)CC1 1705827041 RMUFMZSMYQWTGB-UHFFFAOYSA-N 461.588 2.000 30 10 JDEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(S(C)(=O)=O)CC1 1705827385 CMYAVCLFIXUQLA-UHFFFAOYSA-N 463.560 1.391 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CN(C)C1=O 1705856936 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C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1722361971 LGJRAWPGYMTWAW-GOSISDBHSA-N 470.555 1.905 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1722365710 NTGRSOQWTTVNJT-PMACEKPBSA-N 476.574 1.830 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722367428 WBRPKAAHUNYYOP-OALUTQOASA-N 462.645 1.601 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(C(=O)NCC)c1)[C@H]1CCS(=O)(=O)C1 1722369412 YXNDWNYTZKUWQG-LEWJYISDSA-N 485.610 1.944 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1722371433 WGEUTIDTRZIKGY-JZXOWHBKSA-N 465.601 1.442 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ncn(C)n2)CC1 1722442524 YRHGTIRIBWGXBD-KRWDZBQOSA-N 455.567 1.282 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1722443051 AQJGHMFAVHWDLE-YADHBBJMSA-N 462.554 1.834 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2noc(C3CC3)n2)C1 1722451765 NUGCQPOXIYYUQJ-GDBMZVCRSA-N 479.632 1.899 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1722477451 GMIAWTSVCGGCPZ-ZDUSSCGKSA-N 485.408 1.793 30 10 JDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722479161 FZCQTWKFIYEIJP-HOTGVXAUSA-N 492.440 1.915 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCCC2)CC1 1722493095 WLSADTMLLPHJNB-RLLQIKCJSA-N 494.662 1.708 30 10 JDEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccccc1 1722596704 MTPJQCQOHRPHPY-VSKRKVRLSA-N 487.626 1.881 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCOCC2)C1 1722603963 RBROEHHGFHRPFB-SFHVURJKSA-N 453.609 1.974 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)C 1722656938 LZKFFFCWAOZWLN-GHTZIAJQSA-N 487.630 1.625 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1722712832 ADZOAKLYIDQQKG-WOJBJXKFSA-N 468.558 1.564 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 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JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1Cc1ccc(C(N)=O)nc1)[C@H]1CCS(=O)(=O)C1 1300484568 QJHRWSRTUTUARI-LEWJYISDSA-N 492.605 1.989 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300488798 WJJFEBCRDVFPCY-FUHWJXTLSA-N 491.618 1.466 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)c1ccccn1)[C@@H]1CCS(=O)(=O)C1 1300491525 IALZFRWQUKXQST-QGZVFWFLSA-N 451.556 1.735 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCCNC(=O)c1occc1C)[C@H]1CCS(=O)(=O)C1 1300494092 YPKLXYCOQFUNBY-KRWDZBQOSA-N 483.554 1.083 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(OC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300506357 RANOBGQXQRJAQK-ZCNNSNEGSA-N 480.631 1.978 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC12CC(NC(=O)OC(C)(C)C)(C1)C2 1300509693 RZABSVKLBGAEJW-XDGVHFHYSA-N 476.603 1.409 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCc2ccccc2)CC1 1300700470 QNTNDXGLTPVNOV-HXUWFJFHSA-N 459.641 1.869 30 10 JDEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1301225966 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KBOFRABYPHBSQG-UHFFFAOYSA-N 481.601 1.319 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 1358956061 ZDQUJDORKPYZTD-LJQANCHMSA-N 455.584 1.775 30 10 JDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cccc(N2CCOCC2)c1 1359026842 MLUYTQLLZPVOBH-UHFFFAOYSA-N 452.559 1.371 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1359044282 BETGTCROUPAPLP-RZUBCFFCSA-N 483.661 1.953 30 10 JDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1359059151 BZDARZDCQPMATN-QHCPKHFHSA-N 483.686 1.862 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2cnccn2)CC1 1359118667 VIQCXXNICHFJOL-UHFFFAOYSA-N 468.587 1.888 30 10 JDEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359129053 OWGYEUZPBIXMIE-HNNXBMFYSA-N 462.913 1.477 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COC)C1 1359133681 XNGIRHXEERFEAM-ROUUACIJSA-N 457.597 1.067 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC(C)(C)C1 1359227683 IIDQGHGPKZRUIH-KRWDZBQOSA-N 471.624 1.598 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NC(C)C 1359255055 MASWTVAUPHZBCW-GOSISDBHSA-N 461.588 1.906 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1359297899 GJCAZDYPUGOZHU-LJQANCHMSA-N 462.558 1.928 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1359298308 VDDCTKXTMYEVNZ-UHFFFAOYSA-N 464.530 1.440 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccc(C)cc2)C1 1359321556 IDDDCBWWXKIQQH-LEWJYISDSA-N 491.614 1.780 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCn2nc(C)nc2C1 1359334309 AJQUBCVYFPGGQN-UHFFFAOYSA-N 471.587 1.593 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(COC(C)(C)C)c1 1360713051 FDDHHKNPUJPVQX-LPHOPBHVSA-N 476.603 1.980 30 10 JDEE C=CC[C@@]1(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CCCN1C(=O)OC(C)(C)C 1435185563 OPZNCUQVFFRIMJ-UWJYYQICSA-N 459.609 1.937 30 10 JDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCN1CCN(CC)CC1 1499140429 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C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(=O)(=O)CC)CC1 1507795543 DQUOCBGPPFZPNF-LNLFQRSKSA-N 486.660 1.565 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(CC)CCC)CC1 1507903702 UCVPPAXPKGCOPU-IBGZPJMESA-N 454.641 1.745 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1508058803 GEPKXWZGLTXEML-KRWDZBQOSA-N 480.616 1.211 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1508075476 WFGKNKWVOFNRIO-OCCSQVGLSA-N 462.352 1.063 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1508094999 KHXQCXHHEGLISQ-XLNZFTOWSA-N 455.559 1.975 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1508097590 JCHOSPJHTQVHBI-SJORKVTESA-N 498.650 1.912 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](C(N)=O)C2)cc1 1508101146 VJFDERVQBPRMFB-MSOLQXFVSA-N 459.572 1.495 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2nccnc2C)CCO1 1508378836 AMJZZPHESCXIOG-OAQYLSRUSA-N 476.541 1.411 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2CCOCC2)CC1 1516974103 ASVOOTXACITLBY-UHFFFAOYSA-N 451.575 1.844 30 10 JDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1539051813 HXAUVCYPPPQLHR-IBGZPJMESA-N 470.599 1.810 30 10 JDEE C#CCCCn1c(N2CCC(CNS(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539139430 FBPVHUBCQUMUIO-OAQYLSRUSA-N 453.609 1.498 30 10 JDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1539165947 SMJJFLRCDVPAQW-LJQANCHMSA-N 452.559 1.728 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1539204976 DFWUYTVCTIIZOB-MRXNPFEDSA-N 495.552 1.945 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1539206891 WPCDPBPPOMGNJT-XLIONFOSSA-N 450.948 1.377 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1539210769 GHXDAYMRWAIKOT-CVEARBPZSA-N 451.643 1.759 30 10 JDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1539594092 DGUIMCYMTIIWGX-GOEBONIOSA-N 453.385 1.827 30 10 JDEE C=C(Br)Cn1c(COCC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1539608823 DLNVVBJTYGSTMB-OAHLLOKOSA-N 478.413 1.354 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(=O)OCC)CC1 1539615081 FMTZEHWGBKZYBL-SCTDSRPQSA-N 498.650 1.927 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1539981250 DYJWCPQAGDCHIC-MOPGFXCFSA-N 453.657 1.459 30 10 JDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1)N1CCOCC1 1541840073 CEOJBMMKLZJEFJ-GOSISDBHSA-N 473.603 1.009 30 10 JDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1542283455 GIAVPSJFVXAQDL-NVXWUHKLSA-N 450.561 1.988 30 10 JDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCC(O)CC2)cc1 1554978666 CLNOCVMGCUZEGL-NRFANRHFSA-N 456.547 1.441 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CCS(=O)(=O)N(C)C)c1 1587692457 DZHUHVRPUIMPFY-UHFFFAOYSA-N 458.588 1.883 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cnn(CC)c2)c1 1587694006 ZJLIKMVQWGOEQD-IBGZPJMESA-N 481.582 1.501 30 10 JDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1587697305 NBGIKOPBCQZEMZ-OAQYLSRUSA-N 469.634 1.841 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccnn2C)CC1 1587766414 TYOXOIGSBCSODZ-FQEVSTJZSA-N 475.619 1.532 30 10 JDEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1587777360 BTAZMMRVDLSLFR-UHFFFAOYSA-N 455.588 1.838 30 10 JDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@H]2C1 1587860987 DQLDNXLXYCSBHY-RTBURBONSA-N 460.579 1.521 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588025380 XWUIMUNWRWBECZ-TZIWHRDSSA-N 484.626 1.666 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCN(C)C2)n1 1588722889 ICRYARSEELLEEJ-HSZRJFAPSA-N 484.992 1.543 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1588890554 BVAQYHQQOOHUHF-SZNDQCEHSA-N 491.390 1.541 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cnn(CC)c2)CC1 1588891730 SOWYAGWMRHCCBG-HSZRJFAPSA-N 455.563 1.161 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CCOCC2)C1 1593746472 GGVLVBBUKDROBS-IBGZPJMESA-N 483.635 1.601 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1594812044 BQSDQQALRYTNOR-QYZOEREBSA-N 470.640 1.123 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N1CCOCC1 1595132994 BGUCYJBQEWEJQU-GOSISDBHSA-N 477.562 1.371 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](N2CCCC2=O)C1 1595490438 RMKMAGHMFUPDDT-HNNXBMFYSA-N 476.379 1.549 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1595500942 GWTJYYZQJOKTTG-SFHVURJKSA-N 451.531 1.282 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@H](OC)C(F)(F)F)C1 1595730748 YILKBRCERZCTMR-OWCLPIDISA-N 497.540 1.360 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1595773387 ZPPKWFLMIWAMOV-SFHVURJKSA-N 463.585 1.431 30 10 JDEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)(F)F)c1 1612003274 FBFJCEHLSLWJHC-OAHLLOKOSA-N 452.437 1.881 30 10 JDEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(NCc3cc(=O)n(C)c(=O)n3C)C[C@H]1C)C2=O 1615243669 IJIUUMAOVJYNRX-QVQLBTGDSA-N 489.912 1.351 30 10 JDEE CCN1CCN([C@@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)NC(C)C)C2)CC1 1615875618 GZCKBTGOZKRGSO-JOCHJYFZSA-N 464.618 1.948 30 10 JDEE Cc1ccc(NC(=O)CN2CCN(c3nccnc3C#N)C[C@H]2C)cc1S(=O)(=O)N(C)C 1652905245 CDBDYYRLXYVGAE-MRXNPFEDSA-N 457.560 1.056 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)CC1 1660840448 KLLZTDVEBPJBPV-UHFFFAOYSA-N 458.928 1.615 30 10 JDEE CCCS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1665657638 HEVDOMRWISCIGJ-UHFFFAOYSA-N 450.380 1.803 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1689892378 DHVVVKDLZOGTCL-QFIPXVFZSA-N 497.625 1.613 30 10 JDEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1689925790 AOHJAKXAVMOCRO-UHFFFAOYSA-N 490.612 1.689 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1689982576 QGKVFBTYWIHUCK-TZMCWYRMSA-N 456.366 1.697 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCN1CCCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689984090 KZFAQKLJNDSMAV-UXHICEINSA-N 475.615 1.974 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCS(=O)(=O)CC=C)[C@H]1CCS(=O)(=O)C1 1689985992 GPOYEMIEBRREDD-INIZCTEOSA-N 483.015 1.826 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1689989039 AOBWBRMXTHLYGB-PMACEKPBSA-N 471.583 1.011 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1689996208 FBMITXRFCXLLGR-IBGZPJMESA-N 484.582 1.757 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1690111489 CLYQGYOKDOPFHB-IPJJNNNSSA-N 465.668 1.154 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1690122217 KSBRMHWBMLNNPI-NHCUHLMSSA-N 451.575 1.296 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN2CCN(C)C(C)(C)C2)CC1 1690154772 YZJDCGTYCJBNMP-HXUWFJFHSA-N 457.623 1.121 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1690159791 MSMLJRXEPWUMLI-INIZCTEOSA-N 461.613 1.772 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1690692320 WGYNDRBHAKWUEM-JTSKRJEESA-N 478.571 1.293 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690715921 XWRIDOBODRTSIW-UXHICEINSA-N 472.615 1.977 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1690723947 FAEVXGDPYOAHMQ-MJGOQNOKSA-N 491.618 1.518 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1CCN(c2ccncc2)CC1 1692773146 BTQDLYGFCWUNAX-KRWDZBQOSA-N 472.619 1.940 30 10 JDEE CO[C@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1697697717 BOKLJNQUYUISHB-FPOVZHCZSA-N 488.614 1.728 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1705558816 JGKSJMJIXABVCU-FOIQADDNSA-N 465.601 1.012 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1705581289 ZVDLIGKVIJPGOB-IBGZPJMESA-N 459.554 1.468 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccnc2-n2cccn2)CC1 1705781087 PGCMHWABDYCQMQ-MRXNPFEDSA-N 456.576 1.920 30 10 JDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1705799774 GJKJZLJNJGQTEK-IRFCIJBXSA-N 495.694 1.624 30 10 JDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705898003 YTURSBDXGJWICR-CTNGQTDRSA-N 479.585 1.889 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1705905399 UOHMBRJCDYAIKN-UHFFFAOYSA-N 463.546 1.081 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)cc1 1705911732 ORIKLCOHFLZBJH-FXAWDEMLSA-N 474.587 1.820 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCOCC2(C)C)C1 1705916116 ZDWBAIOYLRCIER-GOSISDBHSA-N 455.563 1.818 30 10 JDEE C[C@H](NC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1706848372 HWBZCLMQYWUDDF-LNLFQRSKSA-N 475.619 1.746 30 10 JDEE CO[C@H](Cc1ccccc1)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1711527235 HBMOAGXAKVNORZ-MISYRCLQSA-N 476.603 1.465 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(Cl)cc1 1722296397 PKIKZHRMFJQZIK-YJBOKZPZSA-N 467.979 1.801 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@]1(C)OCCc2sccc21)[C@H]1CCS(=O)(=O)C1 1722360160 ZOHUJRXZVVLVPM-AOMKIAJQSA-N 491.639 1.593 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@]1(C)OCCc2sccc21)[C@@H]1CCS(=O)(=O)C1 1722360163 ZOHUJRXZVVLVPM-ZHRRBRCNSA-N 491.639 1.593 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722360181 RYZUMJMDFLDWNN-FQEVSTJZSA-N 478.018 1.948 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1722362881 CTSCPQYVIRXDCG-OXQOHEQNSA-N 450.586 1.667 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1722363557 AFRCJCCCCQMHEN-SLFFLAALSA-N 462.547 1.175 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722365631 DUZORIRNNMHBPI-UFYCRDLUSA-N 470.599 1.159 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1722371974 ZUAFRUXCANJKPK-NSHGMRRFSA-N 462.547 1.816 30 10 JDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](N1CCOCC1)C(F)(F)F 1722380382 LELHZMZFWPLMDO-QGZVFWFLSA-N 464.448 1.342 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)C1CC1 1722381944 BZPWEBVJLOWZPI-IBGZPJMESA-N 454.575 1.992 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1722453455 TUQWFTCDNPALIS-UHFFFAOYSA-N 454.600 1.806 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1722460001 URMCJCJNECDEFN-INIZCTEOSA-N 469.633 1.604 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCCC1 1722517514 LHHHFKDVQAJJMV-GOSISDBHSA-N 454.641 1.888 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)N1CCCC1)C1CC1 1722650860 MXWJWARSMBPSIW-HKUYNNGSSA-N 452.625 1.640 30 10 JDEE C=CCN(CC=C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(O)CCS(=O)(=O)CC1 1722667650 OMMFZEHKHHOQNK-UHFFFAOYSA-N 494.017 1.980 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1722729247 GVVQTYJCRUWINW-NJNPRVFISA-N 461.588 1.637 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1722731007 ASIAGUIZMSPPRJ-RXVVDRJESA-N 493.605 1.754 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1722736779 IGVZBSNDQMTENT-FHWLQOOXSA-N 484.619 1.377 30 10 JDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1723590028 CPNYJRXZWBHQEC-ZHRRBRCNSA-N 456.526 1.527 30 10 JDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N(C)C)CC1 1727102127 DWBJVTUTXUYZEP-OALUTQOASA-N 452.607 1.804 30 10 JDEE CNC(=O)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1729616170 AKPJIYCDXOCASE-UHFFFAOYSA-N 482.564 1.510 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCCC1CCCC1)[C@H]1CCS(=O)(=O)C1 1740616411 AMJARRIVZQDBHI-WMZOPIPTSA-N 471.649 1.485 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1740619426 OLZKKAKDFFOQQO-GOSISDBHSA-N 491.639 1.622 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCOc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1740623429 TWNHMDCQVCKWSS-GOSISDBHSA-N 452.540 1.749 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccccc2c1OC 1740640589 QNMAMDUSYGPTEB-FQEVSTJZSA-N 483.550 1.487 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C1CC1 1740677616 XZKDOYJKVUIZIQ-LEWJYISDSA-N 491.589 1.815 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccnc(-n3cccn3)c2)CC1 1740689981 FOHPFFPHEHCRBB-IBGZPJMESA-N 450.547 1.386 30 10 JDEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CCC(=O)N2CCOCC2)CC1 1740699985 BHBXZOMPLZGIKR-UHFFFAOYSA-N 468.627 1.883 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)CN2CCCC2)CC1 1740704144 IPJDMUGKBPTJJW-UHFFFAOYSA-N 450.591 1.823 30 10 JDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1740718168 ITYCKWCGGHNEQF-ROUUACIJSA-N 452.588 1.915 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1740940553 KGHWXULYTCCAMC-UHFFFAOYSA-N 458.544 1.810 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740953477 HHMCTDFURNXVGC-QAPCUYQASA-N 456.503 1.199 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1740964046 FVXOPIDYXMZNGS-UHFFFAOYSA-N 463.560 1.181 30 10 JDEE C[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCNS(=O)(=O)Cc1ccon1 1743111404 DSHVPYQDXJWCLR-MRXNPFEDSA-N 471.543 1.825 30 10 JDEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)CC1 1748201606 CXFIDJKEWNHSFI-UHFFFAOYSA-N 481.601 1.802 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1748808806 NXOHZVKXGDGMBR-SFHVURJKSA-N 494.664 1.895 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748809393 MHMZDAUHQOJSAI-HNNXBMFYSA-N 455.462 1.250 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1748811039 ALPWYPLEEHJUEF-GOSISDBHSA-N 482.566 1.840 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1748818795 GNWJDJLNTYJBMP-SFHVURJKSA-N 455.544 1.215 30 10 JDEE C=C(Br)Cn1c(N2CCC(NS(=O)(=O)CC)CC2)nnc1[C@]1(OCC)CCOC1 1749112196 DMDPIAWCBZHSPX-SFHVURJKSA-N 492.440 1.747 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)COC)CC1 1749255591 DCTWTRFDIWPWIY-UHFFFAOYSA-N 453.952 1.396 30 10 JDEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)CC1)c1ccccc1 1749382296 LJGNFNAKDMVCAI-WMZOPIPTSA-N 451.618 1.817 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C 1749552710 JKTHEGZSRDBGND-QFIPXVFZSA-N 494.644 1.869 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1749600087 PYMNWKAEPHVXMG-LJQANCHMSA-N 493.605 1.843 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1749669994 NDLKLAMBHYRMNA-QGZVFWFLSA-N 458.588 1.807 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1749676507 SLBLYQLSJAYEKX-QFIPXVFZSA-N 461.570 1.422 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](OC)C1 1749725456 VEMDFNUGYZYBHW-QGZVFWFLSA-N 483.616 1.021 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1749738041 CSKBMLIRJQBHTC-UHFFFAOYSA-N 461.563 1.819 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(=O)NCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1760186165 BAAGRFPMLFHEOE-SFTDATJTSA-N 485.610 1.505 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760186411 CLXOVROGJSIQTK-FCHUYYIVSA-N 471.627 1.931 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1760191237 DCUBCGFZWIPXPE-LJQANCHMSA-N 471.583 1.474 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1760191502 ISCPCEAVAHNXOW-IBGZPJMESA-N 458.584 1.735 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1760220925 FHSCXNYCZDLXGU-FCHUYYIVSA-N 466.611 1.931 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCn2ccnc2C1 1760244628 BLLUSQHGYXZEAY-SFHVURJKSA-N 468.583 1.894 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1760260249 YBTHQFIFCRPKRG-QFIPXVFZSA-N 471.627 1.932 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1760352116 OOIDTTIUJGUEJB-MSOLQXFVSA-N 470.640 1.171 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1760450239 GZVXXICIBFCXHE-RTBURBONSA-N 479.607 1.279 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1F 1760464427 HGCCHUUIMVTCGW-CRAIPNDOSA-N 453.540 1.840 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1Cc1cccs1 1760522077 LMBGYBQQYZURAS-FUHWJXTLSA-N 494.643 1.186 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1760526789 STNHWFYQKLAQEH-IBGZPJMESA-N 469.594 1.024 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1760545929 FDYNJBLFDCJBCK-AEFFLSMTSA-N 466.633 1.697 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1760556049 TYAKNFCKIBTPSL-IAGOWNOFSA-N 452.581 1.161 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1760556559 IAXWQRJKVBNAOK-GOSISDBHSA-N 458.588 1.360 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNS(C)(=O)=O 1767087682 FGQUWIXTRIVPDC-UHFFFAOYSA-N 495.613 1.509 30 10 JDEE CN1CCC(N(C)[C@H]2C[C@H]3C(=O)NC4(CCN(Cc5cccc(C#N)c5)CC4)CC(=O)N3C2)CC1 2080412785 FDPXYXFFUFWETB-ZEQRLZLVSA-N 478.641 1.408 30 10 JDEE Cn1cc(C(=O)N[C@H]2CCN(C(=O)OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2247818219 VAQCBVXSJYLSEG-KRWDZBQOSA-N 454.336 1.860 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255536724 MJTMUAUBNPULTA-GXTWGEPZSA-N 453.370 1.712 30 10 JDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 2255640842 MFTKNVFPNVPTAW-UHFFFAOYSA-N 451.354 1.252 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=c2nc(CNC(=O)OC(C)(C)C)[nH]s2)n1 2267171577 MIWKLAYCXGODLP-UHFFFAOYSA-N 464.357 1.270 30 10 JDEE CON(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267360957 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COC1(CCNC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2282053451 IAMDODQMEXCUEL-UHFFFAOYSA-N 464.372 1.475 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1O 2282192091 SJCCBNIEJJYVIX-QGTPRVQTSA-N 461.368 1.775 30 10 JDEE Cc1nc(C(=O)N2CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282513841 VJYGDCIRJPDSNW-OAQYLSRUSA-N 481.380 1.945 30 10 JDEE Cn1cc(C(=O)Nc2c(CNC(=O)OC(C)(C)C)cnn2C)nc1B1OC(C)(C)C(C)(C)O1 2282552293 JLMXELYUNYMCJN-UHFFFAOYSA-N 460.344 1.730 30 10 JDEE Cc1nn(C)c(C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2282555988 AYMBZYYXTRNMOC-ZDUSSCGKSA-N 458.290 1.558 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2282853758 INBZZTAWASYPQW-GJZGRUSLSA-N 484.428 1.691 30 10 JDEE C[C@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCN1C(=O)OC(C)(C)C 2282855106 ZJLAMWLAVWORRU-HNNXBMFYSA-N 484.428 1.739 30 10 JDEE Cc1nc(NC(=O)C2=C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2284059393 TVLTUTDDNKXMGU-JKSUJKDBSA-N 460.340 1.607 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2288537070 ZRGHKYSQYDKNDG-UHFFFAOYSA-N 489.350 1.789 30 10 JDEE CC[C@@H](C)N1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2CCN(CCO)CC2)SC1=S 2314435814 QCKHGODJWFSUAR-CQSZACIVSA-N 475.640 1.679 30 10 JDEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SCC(N)=O)ccc1OC(=O)c1ccccc1 2330743691 STCWVBRPLOFIMN-UHFFFAOYSA-N 482.522 1.602 30 10 JDEE CO[C@@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2365425010 UNGSJQALLIAXSA-KRWDZBQOSA-N 484.424 1.945 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=c2[nH][nH]cc2CNC(=O)OC(C)(C)C)n1 2380499603 SDMACWUKVPSSGB-UHFFFAOYSA-N 460.344 1.624 30 10 JDEE N#Cc1c2n(c(=O)n(CC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)c1=O)CCCCC2 13074994 UCEHXXPVUVOTFW-UHFFFAOYSA-N 471.539 1.031 30 10 JDEE CCCOc1ccc([C@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72443716 XWHQFHPGKFYJDL-IAGOWNOFSA-N 450.499 1.484 30 10 JDEE C=CCc1ccccc1O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 253569288 MDZBPKCRHCGXPD-HPAIXVDQSA-N 464.467 1.877 30 10 JDEE COC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)Nc2sc3c(c2C#N)CCC3)nc1C 586351594 RWPIVLLJGUEYLE-SSEXGKCCSA-N 466.566 1.986 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC(C(=O)N(C)C)CC3)nnc12 669478814 RSGYEADAOXYOHL-UHFFFAOYSA-N 454.556 1.649 30 10 JDEE COC(=O)C1=C(C(=O)c2ccc(N3CCOCC3)cc2)[C@H](c2cnn3ccccc23)NC(=S)N1 729661712 IFZOWTNRNWJEDL-FQEVSTJZSA-N 477.546 2.000 30 10 JDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1cccs1 729672719 DPZZMHFXNRTZBH-MRXNPFEDSA-N 493.614 1.516 30 10 JDEE C=CCn1nc(C)c(C=NNc2nc(SCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n[nH]2)c1C 1084069954 OVNRKPKBBNQKNE-UHFFFAOYSA-N 479.526 1.864 30 10 JDEE COC(=O)c1ccccc1NC(=O)CSc1nnc(NN=Cc2cnn(C(C)C)c2)n1N 1084500326 RZZZACCLZMSQAN-UHFFFAOYSA-N 457.520 1.733 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1OC 1286293946 ANUMZMIPGBHNNY-BEFAXECRSA-N 463.560 1.134 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286383779 NVHVOCDLAPIJRC-LJQANCHMSA-N 458.544 1.576 30 10 JDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1286385942 RMOCEDUZGBWPQW-APWZRJJASA-N 450.536 1.816 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1286390175 YGCNXUBORSQCQK-SFHVURJKSA-N 470.555 1.393 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCOc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1286395238 MDDWLXDKKSGMHD-SFHVURJKSA-N 492.001 1.760 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(SC)cc1 1286409617 NZNNTLAQQFSQMH-HXUWFJFHSA-N 473.624 1.648 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)CCCN2C 1286432026 VZEBKUZMDZALRX-QHCPKHFHSA-N 496.637 1.505 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cnn(C)c2)CC1 1286485391 KASMBGKOWHMEEU-KDURUIRLSA-N 454.579 1.586 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC2(C(N)=O)CCOCC2)CC1 1286487405 NXXWMKODQLJRLF-UHFFFAOYSA-N 454.531 1.094 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc2c(c1)OCO2 1286508565 IIGQMGMVENGFPV-LJQANCHMSA-N 493.611 1.343 30 10 JDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1286609905 UKCUDCNEEYUOPK-OAQYLSRUSA-N 467.618 1.990 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1286779796 MRKXFLLHGVARNB-IAGOWNOFSA-N 484.557 1.521 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286781316 WUNCGJPKOBALRW-YLJYHZDGSA-N 486.548 1.687 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1286792501 ZRVDEDFCNWGDRL-SFHVURJKSA-N 463.542 1.526 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1286819527 NEJVDVZIKOIYLL-LJQANCHMSA-N 475.619 1.560 30 10 JDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1291321207 GUVKTWODWKQAPZ-BPXKWBHBSA-N 459.572 1.760 30 10 JDEE COC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1299469216 GSVVHOUQRNOVKR-SFHVURJKSA-N 489.646 1.897 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNS(C)(=O)=O 1300303432 KKVDVSLHDIICNT-HOTGVXAUSA-N 454.597 1.400 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1300457965 CLTORLQMTWIGGB-HXUWFJFHSA-N 455.584 1.924 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1300483747 NLNHDBKFBLHPGY-QGZVFWFLSA-N 456.484 1.825 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCCN2CCC[C@@H]2CO)CC1 1300719750 OSOLWJOTOBBIBJ-HXUWFJFHSA-N 453.591 1.476 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1300727265 VQAYSYUZSCPHFV-ZCNNSNEGSA-N 475.615 1.127 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCOC)CC1 1300727443 XXGJFGNJTYBKQE-GOSISDBHSA-N 476.578 1.199 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1301491494 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C#CCN(c1nnc(COCC)n1C[C@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358967403 JQYFQOXFWASCDY-WOJBJXKFSA-N 463.579 1.883 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(OCC(N)=O)c2)CC1 1359045360 DUHXPXZOWTYNSA-UHFFFAOYSA-N 466.586 1.745 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1359047094 QNPCHMFHPGLSIN-SIBVEZHUSA-N 481.597 1.578 30 10 JDEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1359086151 LYHXBIFHIRBMHC-UHFFFAOYSA-N 495.422 1.427 30 10 JDEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(S(C)(=O)=O)CC1 1359127770 ZXGRZRGRMFZMFW-UHFFFAOYSA-N 487.424 1.720 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnnn1C 1359254792 CXGPNEMHGYLJNH-KRWDZBQOSA-N 457.560 1.558 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359293348 NVDCYOXVRQVKQU-CVEARBPZSA-N 465.551 1.873 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359305124 UCKQQDDXANPANN-QFBILLFUSA-N 454.531 1.225 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCOC2)C1 1359326112 SOYGOXCKKCUGFW-MIVHDCIWSA-N 463.579 1.982 30 10 JDEE C=CCN(CC(=O)OCC)C(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 1434916123 FJNUISPDWKBVJP-LJQANCHMSA-N 452.305 1.794 30 10 JDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)C1 1464492756 BSQLQEBGKMTUGI-CEXWTWQISA-N 453.630 1.729 30 10 JDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1504748009 AWLJQQBODMFPFM-DEOSSOPVSA-N 467.574 1.005 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1507534389 SRCSXKZDMPIFRR-SJORKVTESA-N 463.542 1.145 30 10 JDEE C#CCN(c1nnc(C)n1C[C@H](c1ccc(C)cc1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507625517 JYFBJYNKILQWLX-FCHUYYIVSA-N 457.600 1.595 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1507637246 AIABRRBSUCWVGD-URXFXBBRSA-N 472.611 1.886 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1507640848 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C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1508084062 GPNJMPIAFOOZAX-UHFFFAOYSA-N 451.575 1.795 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1508091585 MNWYUQYPUXALON-GOSISDBHSA-N 472.594 1.935 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1 1517123369 CLJYMASQYIQNDB-KNQAVFIVSA-N 474.587 1.280 30 10 JDEE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)Nc3ccc(C#N)cn3)CC2)c1 1528250853 BVFUIMBWZZMEMI-UHFFFAOYSA-N 455.540 1.822 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)NC(C)C)c1 1539043261 OOFNHSINQTZSPU-GOSISDBHSA-N 451.531 1.200 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2nccs2)CC1 1539094044 JJVWXYHYBMCNOJ-HZPDHXFCSA-N 451.622 1.641 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)c1ccccn1)[C@@H]1CCS(=O)(=O)C1 1539216174 OPLMWXRBLODHLN-GOSISDBHSA-N 453.572 1.678 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCS(=O)(=O)C1 1539263455 INSWAFVYBVIROZ-MOPGFXCFSA-N 475.615 1.900 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1539290073 BOAYYPVZXTWHFM-PMACEKPBSA-N 489.559 1.734 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1539370505 WPOINHJPOWORAF-KKSFZXQISA-N 489.598 1.451 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)N1CCOCC1 1539409338 XTXASAYSDQFPTJ-UHFFFAOYSA-N 493.568 1.010 30 10 JDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1 1539706890 WHSXBSOSVQGIBF-GOSISDBHSA-N 471.562 1.819 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccnn2C)CC1 1539731076 XEYLKIOIMCTDEA-MRXNPFEDSA-N 451.597 1.599 30 10 JDEE C=CCCCn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1540020197 HULHIJGQIIDDQZ-GHTZIAJQSA-N 453.609 1.901 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1COCCO1 1540120100 JLAKGHOGKCEOSM-UYAOXDASSA-N 462.572 1.797 30 10 JDEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CC1 1554539170 DFZYLIMONMHYSJ-QHCPKHFHSA-N 455.515 1.924 30 10 JDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1587697094 JLHLVKVFOBKRAS-UHFFFAOYSA-N 450.543 1.986 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1588041615 YNHRNUHWKKGIMX-QGZVFWFLSA-N 484.582 1.679 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(NC(C)=O)c1)[C@@H]1CCS(=O)(=O)C1 1588053960 JGQKVYDGCSQNFR-UYAOXDASSA-N 457.556 1.415 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(F)(F)F 1588139815 RUPDLKJAHMGUKK-GOSISDBHSA-N 497.499 1.631 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1588593643 CCJSWMLDECWCIA-MRXNPFEDSA-N 462.532 1.221 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCS2)n1 1588723204 KCHQYPDHCPHZGH-MJGOQNOKSA-N 478.644 1.559 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCNC(=O)C(C)C)CC1 1588806593 WELZCEPBNFHIMP-UHFFFAOYSA-N 490.612 1.592 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](C(C)C)N2CCOCC2)CC1 1588871362 ARKPVLFINFTWEV-JOCHJYFZSA-N 482.629 1.978 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CC=CCC1 1589069332 KBHBIABTDYNNBC-QZTJIDSGSA-N 453.634 1.770 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1589481932 DZMFVVXDKTWASC-NJYVYQBISA-N 487.649 1.530 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(C(=O)NC)CC1 1595496704 FBCCTRZRGODAJS-HNNXBMFYSA-N 457.604 1.895 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2occc2C)C1 1595728290 AKZZBCGMRPIAIA-FUHWJXTLSA-N 451.549 1.342 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1595797967 KFZICFRBDZWZKC-NRFANRHFSA-N 480.679 1.378 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1 1595831799 WNRXUIFXHSAXKD-INIZCTEOSA-N 482.607 1.277 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCC(=O)N(C)C)C[C@H]2C)CC1 1596267193 GJBWLSBUENHGAO-AUSIDOKSSA-N 492.628 1.674 30 10 JDEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)/C(=C\N[C@H]3CCS(=O)(=O)C3)C(=O)C[C@@H]1C)C2=O 1615249011 SOHZAJGKUZTYKC-CCOQCPEHSA-N 483.926 1.510 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1=O 1623976619 SAUJESZNHXQPIV-UHFFFAOYSA-N 456.499 1.573 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ncn(C)n2)c1 1689869050 ZLJXPSQJMYRJRD-XMMPIXPASA-N 478.557 1.552 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CC1CCN(CCN(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1689986120 JBPVRYQZELDKQK-NRFANRHFSA-N 485.658 1.240 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1689996624 KUDFZNLGEVESEH-SFHVURJKSA-N 458.519 1.589 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCNS(=O)(=O)c1ccc(C)s1 1690022448 FSAYPUPKNYJDAO-UHFFFAOYSA-N 454.581 1.685 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCSCC#C)CC1 1690152807 YIGBQUTZKRPMAL-UHFFFAOYSA-N 470.624 1.602 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccsc2)CC1 1690175376 VSAMJBWICDOWHM-GOSISDBHSA-N 465.670 1.930 30 10 JDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(N2CCOCC2)C1 1690219412 DFAFUKBBYCDPSP-PBHICJAKSA-N 477.429 1.098 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1690691163 ABDQJLMKKBKXAT-IBGZPJMESA-N 462.572 1.675 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)[C@@H](C)C1 1690723560 VSIOGFVYDCSENO-HOTGVXAUSA-N 456.572 1.885 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1690725423 PIPBOANTWOEECC-RTWAWAEBSA-N 474.631 1.412 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC(F)F)cc1 1692799645 HXOQWWWVDDLNLN-IUODEOHRSA-N 456.475 1.267 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCN(C)CC(F)(F)F)c1 1705507556 GNXIWEWLTLPVKP-UHFFFAOYSA-N 491.518 1.951 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1705569643 FLTZTMGCTAQVSD-REWPJTCUSA-N 460.600 1.592 30 10 JDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(CS(C)(=O)=O)cc1 1705585636 XEXPVZCLGXPWFN-UHFFFAOYSA-N 450.568 1.805 30 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C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722457853 POPOKOPUBFLAFR-OAQYLSRUSA-N 465.583 1.839 30 10 JDEE C#CCSCCn1c(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)nnc1[C@]1(OCC)CCOC1 1722463777 MRZUSDHTUGWQKJ-QPPBQGQZSA-N 476.691 1.901 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccccc1OC 1722523116 AZUDOHYTZNHQGU-LJQANCHMSA-N 465.576 1.711 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC(F)(F)F)CC1 1722527943 CIOLJBAQIHICIE-OAHLLOKOSA-N 468.546 1.555 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)CC1 1722705218 CEVMWHSYUOCHHI-UHFFFAOYSA-N 458.538 1.599 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722727456 ISJWHOGUYLOIDK-JXFKEZNVSA-N 475.571 1.448 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1722728254 UIWTYVMFVQBNSA-UHFFFAOYSA-N 465.580 1.194 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1722728402 VQBRERBQGXLLIP-KRWDZBQOSA-N 495.552 1.596 30 10 JDEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1722775463 JRZQKFCCGDCMKN-LEWJYISDSA-N 454.531 1.327 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCCS1(=O)=O 1723770703 AWOLUDMAEVNFJB-HNNXBMFYSA-N 466.589 1.122 30 10 JDEE COc1cc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)ccc1C 1729977337 DGRFMSOLGJOZLQ-UGKGYDQZSA-N 492.577 1.613 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)Nc1ccccc1 1740553735 UHKMQPBSJZZQPF-SJLPKXTDSA-N 460.560 1.098 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCCS1(=O)=O 1740629219 FUMARLGWUOAXQH-IBGZPJMESA-N 473.986 1.902 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(C)(C)OC)CC1 1740705384 HAAJOTJILAHWPN-UHFFFAOYSA-N 480.617 1.843 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740744295 QYGJWDVUYBDOIZ-HUUCEWRRSA-N 467.368 1.847 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNC(=O)c2cccc(OC)c2)CC1 1740818755 SYEVKAZUVYEQIR-INIZCTEOSA-N 462.576 1.483 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cc[nH]n1 1740918363 OUDMSVRBQDHBAB-GOSISDBHSA-N 469.571 1.526 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1740964000 DTXKMHNVPXQOFX-UHFFFAOYSA-N 470.574 1.863 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1740990590 WOEJFYOAESALPX-UHFFFAOYSA-N 481.582 1.359 30 10 JDEE CCc1nn(C)c(CC)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1744508629 IFDIPNWLIWVJQW-UHFFFAOYSA-N 483.598 1.870 30 10 JDEE CCN1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1746417785 AFOGGNHISCTXKT-JOCHJYFZSA-N 464.618 1.901 30 10 JDEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1748744167 UTFQXLYVTBRXFR-UHFFFAOYSA-N 452.559 1.348 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1748805528 TVMKORGMRCGJLO-WCAVRKLYSA-N 491.589 1.251 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CC(F)(F)Br)[C@@H]1CCS(=O)(=O)C1 1748818636 CSGNSQNLSRDKSM-CQSZACIVSA-N 474.331 1.878 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1748822155 YZLRWZNBCJUPRD-HXUWFJFHSA-N 455.584 1.607 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1cccc(OC)c1 1748860578 YIDICUOEFDSINH-RXVVDRJESA-N 487.582 1.160 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CC)s1 1748891781 FWVWJTYWYNSEBW-IBGZPJMESA-N 461.613 1.746 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCO[C@@H]2C)CC1 1749000433 WEMFLIWXFIVVPZ-YDIMBITNSA-N 474.606 1.645 30 10 JDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1749096012 DSZQVDSSQQAXBV-CQSZACIVSA-N 471.381 1.674 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1749104365 RIPJTTGNUCSUKK-INIZCTEOSA-N 492.403 1.682 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(OCC(N)=O)CC1 1749142385 ZITKDRGDUBYIRG-OVQGTLEDSA-N 463.579 1.454 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(CCCN2CCOCC2)CC1 1749663336 AQJKNFRHAISOEZ-UHFFFAOYSA-N 456.595 1.310 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN(C2CC2)C(=O)C1 1749681733 HCJFXYZSRSKZNI-UHFFFAOYSA-N 456.572 1.692 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1scnc1C 1749735405 RVGUVBGGLXAPLA-CQSZACIVSA-N 459.619 1.182 30 10 JDEE C[C@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C[C@@H](C)O1 1752396796 AVEZYUKEAVRUBS-UEXGIBASSA-N 472.615 1.939 30 10 JDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1760136787 BZFXVKFHFPIQOT-OALUTQOASA-N 451.593 1.216 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)cc1OCC)[C@@H]1CCS(=O)(=O)C1 1760188609 POOIVVCISHTSEI-RTBURBONSA-N 471.583 1.611 30 10 JDEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1760229923 KMCGZMJYZQATMD-XDOYNYLZSA-N 450.499 1.948 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1760262207 JJPNKSGFGNHQHB-OAQYLSRUSA-N 450.587 1.427 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1760358416 VXSWFSLLBHUDDN-QYZOEREBSA-N 469.608 1.067 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sc(C)nc1C 1760495319 KUMQWUAVVMFDFY-INIZCTEOSA-N 452.606 1.911 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@](C)(C(N)=O)C1 1760517964 DDIWPKJRQXVYHY-IBGZPJMESA-N 465.327 1.851 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1760520685 WQCSBPTXQKNFGL-SFHVURJKSA-N 466.590 1.212 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1760527234 PQQZLBPZKRIZGM-UHFFFAOYSA-N 483.548 1.194 30 10 JDEE CCOCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1766191849 IEENAPDWHHOBON-SFHVURJKSA-N 476.603 1.987 30 10 JDEE C[C@]12C[C@H](O)[C@@]3(Br)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1C[C@@H](O)[C@]2(O)C(=O)CO 1848437875 RFXXJEVRBZORDZ-HXPQYVNSSA-N 455.345 1.046 30 10 JDEE N#C[C@H](c1cccs1)N1CCC(C(=O)N[C@H](CO)C(=O)Nc2ccccc2N2CCOCC2)CC1 1866866768 KMXMLOQJDRSJTB-IFMALSPDSA-N 497.621 1.977 30 10 JDEE C=CCOc1ccccc1OCC(=O)Nc1nc(N2CCC(O)CC2)nn1[C@@H]1CCS(=O)(=O)C1 1870062134 LVCKPIGWENHWRC-MRXNPFEDSA-N 491.570 1.181 30 10 JDEE COc1cc(C)c(C)cc1S(=O)(=O)Nc1c(C#N)nnn1-c1ccc2c(c1)C(=O)N(C)C2=O 1870098829 FDSSWVPIVZWKTA-UHFFFAOYSA-N 466.479 1.791 30 10 JDEE C=CCn1cc(OCC(=O)OCCOc2ccccc2)c(=O)cc1CN1CCN(CCO)CC1 1870328825 RCLRIROJPCBBCH-UHFFFAOYSA-N 471.554 1.145 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)N2CCC(N(C)C)CC2)nc1C 1872636656 ADSNBBYVVXBJPK-UHFFFAOYSA-N 492.558 1.290 30 10 JDEE C=CCNC(=O)c1nonc1OCC(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)OCC 1872707402 PXSZYXMQPLJQPN-UHFFFAOYSA-N 466.472 1.726 30 10 JDEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SCCCO)cc(Br)c1O 1874435217 SYCZLWNEOCOHEJ-UFWORHAWSA-N 458.338 1.748 30 10 JDEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N2CCO[C@H](C(=O)NC3CC3)C2)CC1 1891865189 FAXWXKWCYPYJEA-KRWDZBQOSA-N 455.540 1.997 30 10 JDEE C/C(=C/CO)CCC1=C(CO)C[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@](C)(C=O)CCC[C@@]12C 2112807365 WJZSSEIUMCZCIA-KLNCBDKVSA-N 468.587 1.234 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@@H]2C(F)(F)F)C1 2200902148 ACXYGOPSMUPPAT-GMTAPVOTSA-N 495.392 1.907 30 10 JDEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255833869 IWUKMVAOPFDKSI-UHFFFAOYSA-N 455.386 1.792 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H]([S@@](C)(=O)=NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267092550 WXRRIJNCZOIIAQ-PXTGODKCSA-N 468.385 1.956 30 10 JDEE CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267098025 VFQQNLJMMMXINB-KBPBESRZSA-N 450.345 1.463 30 10 JDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCO1 2267136746 MBGLPAIFQLXTLB-ZFWWWQNUSA-N 450.345 1.463 30 10 JDEE CC1(CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2267353755 FQNPVLVXIJRBKC-UHFFFAOYSA-N 467.397 1.916 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267367843 ZRYQKAVUKQBGHK-AWEZNQCLSA-N 488.437 1.962 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CCO 2267518375 DZDKRZMJMXKMGI-AWEZNQCLSA-N 450.345 1.153 30 10 JDEE CC1(C)OB(c2cncnc2C(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)OC1(C)C 2267609289 NREUMGSAKIPOMS-RTBURBONSA-N 482.346 1.590 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2271458408 CWHIKSRTPKIPSN-MRXNPFEDSA-N 470.397 1.552 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]1(NC(=O)OC(C)(C)C)CCOC1 2281958838 JACQAKCIQLQEGS-QFIPXVFZSA-N 464.372 1.616 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2282324870 WDNNTWNQJKKHBT-ZDUSSCGKSA-N 485.416 1.038 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2282501020 RCICFNZYEMVUBO-ZWKOTPCHSA-N 482.408 1.385 30 10 JDEE Cc1nc(S(=O)(=O)N(C)C[C@@H](O)COCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282509796 PJRKPMQMHWIOEW-GOSISDBHSA-N 479.408 1.226 30 10 JDEE Cn1cc(C(=O)N=[S@](C)(=O)CC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282576165 NCIWPTRPWHUVIZ-MGBGTMOVSA-N 482.412 1.824 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282589815 SOPPYMHNPOQGAP-QFIPXVFZSA-N 464.372 1.129 30 10 JDEE CO[C@@H]1C[C@@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)N(C(=O)OC(C)(C)C)C1 2282628340 MZDBRTMGZNVODA-JKSUJKDBSA-N 462.356 1.530 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 2282853644 GUEVASCXGYAKBZ-HUUCEWRRSA-N 482.412 1.207 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)(CCNS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282861007 JGDDHSNNQKKVFD-UHFFFAOYSA-N 482.408 1.636 30 10 JDEE CC1(C)OB(c2nccnc2C(=O)NCC[C@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2283057092 RUJJHSCPYBLNJO-IBGZPJMESA-N 452.364 1.797 30 10 JDEE CC(C)(C)OC(=O)NCC[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCO1 2283069307 QRUBHELFDCPTTB-HNNXBMFYSA-N 462.356 1.532 30 10 JDEE Cc1nc(NC(=O)[C@@H]2[C@@H]3OCCN(C(=O)OC(C)(C)C)[C@H]32)ncc1B1OC(C)(C)C(C)(C)O1 2284037392 SXRDFPFTGVCAMV-JYJNAYRXSA-N 460.340 1.657 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1C(=O)Nc1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2284048481 OITZDZQAFVMVTF-YESZJQIVSA-N 482.770 1.919 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2284129542 KXQZFFXVVROLQH-NWANDNLSSA-N 483.758 1.314 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2313849078 JOGCXKLDUPMDQU-XGUBFFRZSA-N 458.386 1.475 30 10 JDEE Cn1cc(C(=O)N[C@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2359278408 QWPTWBNJMXSYCV-VNQPRFMTSA-N 462.356 1.083 30 10 JDEE CCOCCCNC(=O)/C(C#N)=c1/s/c(=C/c2ccncc2)c(=O)n1-c1ccc(C)cc1C 33376038 OJTTYYMASQFEKI-UZYICCJWSA-N 462.575 1.957 30 10 JDEE C=CCOC[C@H](O)CN(CCCOC)Cc1nc2sc(C(=O)OC)c(CC)c2c(=O)[nH]1 36207329 LABXLLFBWYOUQX-CQSZACIVSA-N 453.561 1.736 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)CC1 105310942 SPHCJHSNCLRBPM-UHFFFAOYSA-N 467.551 1.308 30 10 JDEE N#Cc1ccccc1N1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCCN3CCOCC3)[C@H]2C1 230134673 XXARNUCYEYTCSU-RCZVLFRGSA-N 490.564 1.782 30 10 JDEE C=C[C@H](O)C#CC#CC[C@H](O)[C@@H](O)CCCCCC[C@@H](O)CNC(=O)/C=C/c1ccc(O)c(O)c1 257370924 FFYRHMJUEAXLLR-WNPWWUCMSA-N 485.577 1.594 30 10 JDEE biogenic C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2Cl)c(=O)n1CCN1CCOCC1 603798004 RCDRCJDXOIREJJ-UHFFFAOYSA-N 493.416 1.354 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)C[C@H](C)O3)c(=O)n1-c1ccccc1C#N 604002642 DJMMYUDAYIAQDQ-INIZCTEOSA-N 498.564 1.908 30 10 JDEE CCc1cccc(OC[C@H](O)Cn2c(NN=Cc3ccccc3O)nc3c2c(O)nc(=O)n3C)c1 606629539 ATDGPMXEAOCKAF-QGZVFWFLSA-N 478.509 1.990 30 10 JDEE COCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cc(C)cc(C)c1 729668321 GHYVBYNSUFAZCZ-UHFFFAOYSA-N 473.558 1.429 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)nc3cc(Br)ccc23)CC1 1152967795 QAJOMGREYADLNB-UHFFFAOYSA-N 451.346 1.531 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cnn(C)c2I)c1 1185623708 AHBSTMXQTUYHQG-UHFFFAOYSA-N 458.281 1.265 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 1286390065 WAQZKIKANALPPF-NWDGAFQWSA-N 488.517 1.380 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(CSC)c1)[C@@H]1CCS(=O)(=O)C1 1286391350 HIZYNUIEPWBQKH-HXUWFJFHSA-N 487.651 1.939 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1286391811 DTNKRYMZLDITBW-OPAMFIHVSA-N 480.537 1.579 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1CCN(CC(F)(F)F)CC1)[C@H]1CCS(=O)(=O)C1 1286396439 UVJSFTFBDMLPHR-ROUUACIJSA-N 489.564 1.683 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1286471112 IRCLFHMFTXJUEX-NRFANRHFSA-N 464.492 1.622 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2CC2CCN(C(C)=O)CC2)n1 1286471653 QCORFSIEHNYOFR-NRFANRHFSA-N 469.590 1.523 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN(C)S(=O)(=O)CC)CC1 1286474814 QABPPBJACWNOTE-UHFFFAOYSA-N 466.011 1.420 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(OCCC)c2)CC1 1286479632 IBRMLCKSPFPXOO-OAQYLSRUSA-N 471.627 1.967 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccco2)N(C)C)CC1 1286494340 LMQDXKDBXBXRDY-IBGZPJMESA-N 467.574 1.262 30 10 JDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC(N)=O)CC1 1286604906 YHFLTJACNLZYKE-UHFFFAOYSA-N 451.535 1.605 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1286781249 PVTOLIZRMXIBAQ-GOSISDBHSA-N 454.575 1.994 30 10 JDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1286786717 YAFWTUBAJWORFD-UHFFFAOYSA-N 476.578 1.888 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3nccs3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286794108 WXXBAMXDOVZHDL-IERDGZPVSA-N 462.576 1.655 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2nccs2)C1 1286813928 GEFWOCXOQMPDML-AWEZNQCLSA-N 454.578 1.052 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1286821860 CGYKGWFOWHIKPL-KRWDZBQOSA-N 450.565 1.881 30 10 JDEE Cc1ccc(-c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2CC(=O)NCC(F)F)o1 1289597630 AIYRFAGVBYPPBQ-UHFFFAOYSA-N 473.488 1.468 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1297728977 CHAJMHCWMPXYME-HXUWFJFHSA-N 485.614 1.689 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCOCc2ccc(OC)cc2)CC1 1300725769 JVUGDUWFVIBKKP-NRFANRHFSA-N 467.570 1.973 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCCC2=O)C1 1300848523 GQZQDUMKXCKJRO-KBPBESRZSA-N 458.382 1.290 30 10 JDEE C=C(Br)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1300850817 DQTADZUOCFUYFU-HNNXBMFYSA-N 463.311 1.064 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1301483141 IDEWURRPJMSBBE-HXUWFJFHSA-N 459.348 1.726 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1 1301529500 KNXJLBNNQVDLMF-UHFFFAOYSA-N 497.581 1.620 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1301584438 AARZKBOOYZAEGT-LJQANCHMSA-N 491.589 1.543 30 10 JDEE Cc1cccc(C)c1NC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1304446638 FRDZZUSBSWNCLE-MGPUTAFESA-N 463.539 1.586 30 10 JDEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CC1 1313643385 GJBMKLXGYQNUDT-UHFFFAOYSA-N 476.589 1.489 30 10 JDEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1)S(C)(=O)=O 1313798783 FUSHTMVQDWLYAU-LEWJYISDSA-N 488.614 1.873 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(CC)ns2)CC1 1358913792 YMWSPAXCDVNQGC-INIZCTEOSA-N 463.633 1.724 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1358963225 DUYFZVREOFEIHQ-RTBURBONSA-N 492.623 1.172 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1358966743 VXAXQKQZZFMHRM-SFTDATJTSA-N 490.651 1.515 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358967964 WLUUNUTYLJNARM-GOSISDBHSA-N 474.583 1.798 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2([S@](C)=O)CCC2)CC1 1359029049 NBSJGVOMEBZFJH-XIFFEERXSA-N 489.045 1.918 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(C)oc3ccccc23)CC1 1359040746 FPFNIFOGQXSSTG-MRXNPFEDSA-N 498.609 1.957 30 10 JDEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359083436 JTWCDDCZXIOYLG-UHFFFAOYSA-N 451.369 1.772 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1359099897 URDQTFLBUYHGLC-CTNGQTDRSA-N 488.633 1.355 30 10 JDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNS(=O)(=O)c1ccccc1 1359237514 CCEWHDAJIBANIP-UHFFFAOYSA-N 489.627 1.839 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1359294334 QSJCVEBZAFFVCA-KRWDZBQOSA-N 455.519 1.314 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1359299918 PQMRMAYFSZYXEK-SVFBPWRDSA-N 460.623 1.800 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(Cc3csc(C)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359306145 XRLSGARNCKDEMN-QHCPKHFHSA-N 489.646 1.708 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)cc2)C1 1359321145 BAAIEHCRECKMIP-OALUTQOASA-N 465.551 1.580 30 10 JDEE CC(C)(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1359521843 HEEAODRZKDEVMI-GCJKJVERSA-N 459.572 1.618 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1360230279 HXUFYMJLRCPYAA-CLOONOSVSA-N 481.601 1.540 30 10 JDEE CCOc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)ccc1OC 1502779797 AWUSQXURXZEBMK-GDBMZVCRSA-N 464.548 1.073 30 10 JDEE CO[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)C 1503984046 DBMIXPQDGGLXNO-RBUKOAKNSA-N 473.603 1.444 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H](C)N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1507627680 FRMCGKHNMRWFGA-VQTJNVASSA-N 488.633 1.737 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1507633006 RCSVRSWIPPXIDQ-NJDAHSKKSA-N 479.647 1.156 30 10 JDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)CN2CCOCC2)CC1 1507726176 GWWDDJBEFXTIES-QFIPXVFZSA-N 452.603 1.889 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1507738360 OBEYLNAEKLONRD-WBVHZDCISA-N 481.523 1.079 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1507804098 IKNVBISVNPODIK-KNJMJIDISA-N 482.651 1.026 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1508018572 GHBFUYRJIFEZRC-MSOLQXFVSA-N 472.619 1.859 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1508076099 ZOKZPWCXILGNEC-UHFFFAOYSA-N 493.568 1.700 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1508084938 DITAPIRXLVJKBT-SJORKVTESA-N 453.547 1.255 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccccc1F 1509682636 DNYCYKCUSDHBRT-INIZCTEOSA-N 463.521 1.980 30 10 JDEE CO[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1517770554 BFOUAJBWUJTPNT-NSISKUIASA-N 490.586 1.095 30 10 JDEE COCCN1C[C@@H](Cn2c(COc3ccc(OC)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1519214496 AUCRZOBGKOJUNB-PXNSSMCTSA-N 470.530 1.089 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](c2cc(OC)c(OC)c(OC)c2)C(F)(F)F)C1=O 1536835461 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C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588069346 MAYFYERNXKBGBQ-LVCYWYKZSA-N 474.583 1.917 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1588219587 WFNCVLKTWRQFHN-QGZVFWFLSA-N 479.566 1.481 30 10 JDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Br)cs1 1588574447 HXALZVIVNSXUBR-LBPRGKRZSA-N 476.422 1.847 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1N1CCOCC1 1588646864 NVBZEPCUHBPKOX-SFHVURJKSA-N 491.589 1.290 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2CC(F)(F)C2)CC1 1588884562 FHZCGUKKUNFBIE-UHFFFAOYSA-N 457.485 1.937 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)N2CCOCC2)CC1 1588899572 SCJWAMGCOCAWBR-UHFFFAOYSA-N 454.575 1.923 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1588930394 VDMDMQZVWGFJQE-SJBKTWHCSA-N 472.634 1.985 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1593834083 HYVQZBLJASBHEK-IBGZPJMESA-N 493.033 1.844 30 10 JDEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCNS(C)(=O)=O)CC1 1594024067 RLBYINCUBJHIEN-UHFFFAOYSA-N 467.621 1.252 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2nc(C)no2)CC1 1594813428 SLOLCUPJIQZDJK-QGZVFWFLSA-N 450.565 1.848 30 10 JDEE C=CCNC(=O)Cn1c(N2C[C@H](CC)[C@@H](N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595595145 SUGOYEGXARNQPS-MZLICYQSSA-N 476.622 1.168 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1595788518 BOJSGYWKKKWCIV-GCJKJVERSA-N 459.572 1.582 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1595831797 WMPZPGJDUWNCMS-GOSISDBHSA-N 457.560 1.324 30 10 JDEE C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1)N(C)C 1611582669 CJHXUMJCWGTDSK-MJGOQNOKSA-N 457.604 1.329 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCc1ccncc1 1611704389 ABCBFZUEJRXEHK-KRWDZBQOSA-N 481.586 1.119 30 10 JDEE C=CCOC[C@@H](NC(=O)c1cnn(-c2ccccc2)c1I)C(=O)OC 1617949270 AQKXNWQMZOUJNH-CQSZACIVSA-N 455.252 1.951 30 10 JDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(CNC(=O)c2ccccn2)CC1 1623376715 BTNLAHGBKWYORP-INIZCTEOSA-N 455.540 1.289 30 10 JDEE Cc1nn(C)c(N2CCN(C(=O)Nc3ccc(CC(=O)N4CCOCC4)cc3)CC2)c1C#N 1667806711 BRSIBLAFJDULJC-UHFFFAOYSA-N 451.531 1.356 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC(=O)NCC(F)(F)F)c1 1689871818 GFABKWJWQDCFIW-OAHLLOKOSA-N 464.448 1.517 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1689892245 BDPLQNLFLJYOTI-FQEVSTJZSA-N 456.572 1.923 30 10 JDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCc1ccc(S(C)(=O)=O)cc1 1689974059 ZUWFOFZHZBMMPA-UHFFFAOYSA-N 457.581 1.985 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689978074 LEYQQQAXAKFXDW-MWOWJKGTSA-N 492.627 1.099 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCC(=O)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689978522 XPHHDBNONBJYPV-SFHVURJKSA-N 472.571 1.072 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C(C)C)C1 1690174189 AFFYOOZOHUKKAV-IRXDYDNUSA-N 473.690 1.555 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCN(CC)C(=O)C1 1690669118 UZGQUYDPMRNSCN-UHFFFAOYSA-N 478.557 1.036 30 10 JDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCN(CCOC)C(=O)C2)cc1 1690678981 HEEVWTGIBBLWNC-UHFFFAOYSA-N 451.531 1.587 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)c2c(C)noc2C)C1 1690699470 FSUACFXOFIKSHC-ATZDWAIDSA-N 494.618 1.801 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccnc2OCC)C1 1690700938 ZWERJBYXRXQAEM-RBUKOAKNSA-N 492.602 1.234 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)O[C@H](COC)C1 1690717827 RTWKZOAUYLGMTN-ZFWWWQNUSA-N 488.408 1.877 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690731128 AGVXIHZFCWHVME-ZACQAIPSSA-N 496.634 1.317 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705558759 HGHXRGKYGMEHSD-UTKZUKDTSA-N 453.609 1.230 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1705559673 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C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1722316889 KFUSVVFXVIAHNN-UHFFFAOYSA-N 497.003 1.792 30 10 JDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1722372820 BEBDLFQRIAPZDS-NTKDMRAZSA-N 464.574 1.504 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1722452549 HHGTXRYDBNIDJQ-UHFFFAOYSA-N 473.647 1.015 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)Nc2ccccc2)CC1 1722566410 RBYRVPJOWRSGTR-LJQANCHMSA-N 474.587 1.796 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(O)cc2C1 1722728358 QLPCLWFTWHOIAY-INIZCTEOSA-N 466.585 1.049 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1722729306 IWTDUWFJGOMKAO-LPHOPBHVSA-N 480.660 1.392 30 10 JDEE CO[C@]1(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@@H](C#N)C2)CCOC1 1729947402 AQBRDMBLGYHZHK-STSQHVNTSA-N 476.578 1.927 30 10 JDEE COc1cc(OC)cc(-c2nnc(N3CCC(C#N)CC3)n2CCN2CCCS2(=O)=O)c1 1730012643 ACOJNSHGKSQWLN-UHFFFAOYSA-N 460.560 1.738 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1740592458 XZOFGKWXHDUNJO-OAQYLSRUSA-N 490.605 1.486 30 10 JDEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1740616638 DRLBEHSEHKFBDP-FQEVSTJZSA-N 490.651 1.810 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740620916 HVZOLRFLYPWIMD-SIKLNZKXSA-N 460.604 1.637 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cc(C)nn2C)CC1 1740692553 LJXAPWXPNQNQLS-UHFFFAOYSA-N 457.380 1.892 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(COCC)cc2)CC1 1740705886 NRJRBJPVVDOASE-OAQYLSRUSA-N 464.570 1.780 30 10 JDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1740719105 ZCUXHILFZDJLHT-NRFANRHFSA-N 474.675 1.919 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCCC1(C)C 1740773823 DXZFPTXGGAZYGB-UTKZUKDTSA-N 455.625 1.955 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1740959609 AVUFIBBSRUYRIK-CQSZACIVSA-N 480.978 1.211 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1740963474 LWEJQMSJMZSTCU-UHFFFAOYSA-N 481.557 1.946 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1747603007 CCPUFFZOSIAIJB-HXUWFJFHSA-N 473.603 1.009 30 10 JDEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1748735209 DESFEUDNWCPSJT-WBVHZDCISA-N 456.934 1.632 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1748806125 ZPFSKBQPGIUXGB-LQWHRVPQSA-N 468.645 1.699 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1748818464 BTVOPCYBIZRARH-FQEVSTJZSA-N 470.599 1.958 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1748819448 OVVSEOVYDADIMN-FQEVSTJZSA-N 456.547 1.840 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1748821108 LSPYBSQIEUWJPF-SFHVURJKSA-N 459.572 1.317 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCCn2ccnn2)CC1 1748983972 DORBECKKDGYCLI-UHFFFAOYSA-N 450.547 1.789 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)C2CCCCC2)CC1 1749015458 WPTQUUGHTQTQBS-CYFREDJKSA-N 491.658 1.477 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](CC)C1 1749038343 QIWHAPFYZJHGEQ-CVEARBPZSA-N 459.663 1.309 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1749115541 SBAZBOXDXNDZJD-OALUTQOASA-N 459.595 1.735 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCCCC2)C1 1749650587 CAVKEXZHJKMQOE-INIZCTEOSA-N 454.597 1.120 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1749677074 MMSIFURGPOAKEP-NZQKXSOJSA-N 495.628 1.191 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1749680788 QYZKZRXUBUUCKU-NRFANRHFSA-N 454.575 1.769 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CC(=O)N(C)C)C1 1749709757 RJRJGWYBWRDGEP-KRWDZBQOSA-N 465.558 1.935 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(SC)CCOCC2)C1 1749711516 ADMKASFKAJYLPF-IRXDYDNUSA-N 456.634 1.874 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1749737002 WAZIMFPXCIAYKW-FQEVSTJZSA-N 471.587 1.275 30 10 JDEE Cc1nc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)sc1C 1751338567 BRKFSTPYLWJATL-KBXCAEBGSA-N 469.568 1.175 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCN(C)CCOC)[C@H]1CCS(=O)(=O)C1 1760180376 CXGZGSVHANOALY-INIZCTEOSA-N 499.435 1.241 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760192373 UCMIKMSENUOCNH-LEWJYISDSA-N 487.626 1.247 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1760192893 PHDSTMTVXOZNCJ-ZHALLVOQSA-N 465.620 1.350 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CC(OCC)C1 1760213354 ZIHZDOAZYKNDTG-UHFFFAOYSA-N 485.610 1.588 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([S@@](C)=O)CC2)CC1 1760267744 YFAPGGFKEWLIEX-UUWRZZSWSA-N 485.610 1.839 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCCSC)CC1 1760269779 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C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286612160 AZUKOVSHZNAJBH-UHFFFAOYSA-N 453.551 1.319 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1286781779 AEITVSRRLHUHET-GOSISDBHSA-N 488.614 1.392 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(F)cc1)C1CC1 1286787938 MPGMPPSLQOKEPO-LJQANCHMSA-N 492.577 1.221 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ccccc3C#N)CC2)nnc1[C@]1(OCC)CCOC1 1286793604 HWIXIWPUMYPDLO-DEOSSOPVSA-N 465.558 1.431 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1286813778 BIRHQAWVIWHNCE-UHFFFAOYSA-N 491.614 1.640 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCCO[C@H](c2ccccc2)C1 1286814662 VMTDZWPBTXVQJY-IBGZPJMESA-N 461.588 1.985 30 10 JDEE COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)cc1Br 1300183732 AHYFIEWAWBXHDN-AWEZNQCLSA-N 463.336 1.964 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1300303785 JZJCBJRDPXNASW-WAIKUNEKSA-N 484.582 1.073 30 10 JDEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1300384463 PYWFQNMAMGPDQW-QGZVFWFLSA-N 483.964 1.820 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1300489710 QXIDIJYLCMKDGK-QUCCMNQESA-N 457.600 1.922 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1300491400 HMYDKRRPDHVLIK-XMSQKQJNSA-N 470.530 1.409 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300494039 XVVSPHVXVKGHIO-BBWFWOEESA-N 494.618 1.111 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1300496479 RRLUTUHFLQCMFB-UXHICEINSA-N 474.608 1.520 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)CC1CC1)[C@@H]1CCS(=O)(=O)C1 1300499535 UGTLPCRVUKPCSD-HXUWFJFHSA-N 494.614 1.460 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCN2CCC(C)CC2)CC1 1300688728 KOIRMJQOTFBACM-UHFFFAOYSA-N 499.685 1.683 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCSCC#C)CC1 1300728654 CYLOCZKVUGOJHC-UHFFFAOYSA-N 461.595 1.849 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1301223341 SBEDTGMYECMSOX-UWJYYQICSA-N 469.608 1.352 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C(=O)NC)C1 1301490642 XDOPPYNXQXFHJJ-OAHLLOKOSA-N 453.330 1.505 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccncc2Cl)C1 1301558165 SXDVNERSDXLBOU-AEFFLSMTSA-N 482.994 1.489 30 10 JDEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N1CCOCC1 1302512515 DOGCXQCYQPPBSX-NHCUHLMSSA-N 472.615 1.797 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(CO)c2cccc(Br)c2)cc1 1304757324 LAPHCVUKFPECRO-IBGZPJMESA-N 451.342 1.998 30 10 JDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCOCC1 1314224364 BDYJNMGTLKKMNB-IBGZPJMESA-N 456.547 1.707 30 10 JDEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 1316353786 BITJNVYYLYBCOU-HXUWFJFHSA-N 462.601 1.203 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](COC(C)C)C1 1358913416 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1359056838 MJMLKTCAXYEQSC-HKUYNNGSSA-N 481.688 1.924 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)NCCOC)CC1 1359098663 DKCDMMIQZDVJHP-IFMALSPDSA-N 460.623 1.802 30 10 JDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)NCC)CC1 1359135346 AOBJCDHWXATCHW-UHFFFAOYSA-N 461.592 1.714 30 10 JDEE C=CCn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1359286139 YOXXIPIHQHPOIJ-UHFFFAOYSA-N 475.391 1.874 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1359299072 UFAIPZGUQRFECW-FQEVSTJZSA-N 484.479 1.838 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](CCC)C1 1359300714 IUHLPNHXTRWDHV-IBGZPJMESA-N 454.579 1.760 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1359304389 WZKLXVDSHFMLIP-LJQANCHMSA-N 457.579 1.464 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OCC(N)=O)CC1 1359328458 DPUURYDOKMVORS-UHFFFAOYSA-N 467.979 1.670 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NC(C)=O)CC1 1359329179 ATIUSDLUXFMGNA-UHFFFAOYSA-N 452.968 1.699 30 10 JDEE Cc1cc(C(F)(F)F)ccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1361006874 BAUDFESHILPRBL-XJKSGUPXSA-N 472.493 1.993 30 10 JDEE C=CC[S@@](=O)(=NC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)c1ccccc1 1472274806 CABFVECGFDVLKE-NDEPHWFRSA-N 455.945 1.957 30 10 JDEE COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)c(OC)n1 1504273779 BJYIPMJNUFDNNA-QGZVFWFLSA-N 460.560 1.771 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCCOC2)C1 1505139939 IAZQJFJTSBVRHO-ROUUACIJSA-N 452.581 1.168 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1cccc(F)c1 1507537206 GXQBCBDMWNTJMT-BXWFABGCSA-N 465.551 1.676 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1507627784 UALJPXFEVZRCFM-OAHLLOKOSA-N 478.376 1.444 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@]1(O)CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1507628529 XBLGANVMLWBKPS-MFSJNOQSSA-N 488.610 1.463 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1507633899 KPAHKLWVSCAFIN-IAGOWNOFSA-N 474.674 1.196 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1507634723 PNBKRVKYHJDUMB-SFHVURJKSA-N 473.574 1.680 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(CN(C)C)c2)CC1 1507715541 CPUMORFMAVIHSC-UHFFFAOYSA-N 458.570 1.791 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2oc(CC)nc2C)CC1 1507741075 UNTIUINQVHVCJN-UHFFFAOYSA-N 453.547 1.273 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2COCCO2)CC1 1507741178 WBZFUPVFELJXOT-QFIPXVFZSA-N 467.570 1.855 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2cccn2)C1 1507783973 FPOJAMITVFEHGC-CABCVRRESA-N 471.381 1.191 30 10 JDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1507842821 MSCARVPVNSYXQZ-NRFANRHFSA-N 464.574 1.620 30 10 JDEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1507845750 OTNJYKSFFJOTOY-IBGZPJMESA-N 455.625 1.700 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1508137214 KRRYBCDMVPCIOT-UHFFFAOYSA-N 473.603 1.667 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC(NC(C)=O)CC1 1508160930 JPMPQEOLFFESOQ-WWDZGPRUSA-N 455.650 1.983 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCc1cnccn1 1509777618 DWHJKCPXWYGORQ-UHFFFAOYSA-N 454.560 1.613 30 10 JDEE CN(C)[C@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)CCSC1 1516995718 AMVBBOHNXYQZMS-DBVUQKKJSA-N 452.650 1.748 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539216442 RYKSGMOTXBPBQG-FQEVSTJZSA-N 470.599 1.806 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1539230358 MINSMXZOMBASEM-QGZVFWFLSA-N 462.572 1.917 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1539518082 VJRNGRIARACGGO-QGZVFWFLSA-N 482.653 1.587 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1539917815 XJZLGAQNLHUXRY-RTBURBONSA-N 496.678 1.956 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1540876096 HJSNZPYKRXWXJD-SJORKVTESA-N 496.634 1.666 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C(=O)NC)CC2)cc1 1540876789 AVOSEFOZTJVVSC-MRXNPFEDSA-N 476.603 1.464 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(NC(C)=O)CC1 1540898342 HOKIHJCUHVWUQY-UHFFFAOYSA-N 499.435 1.752 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1540902313 GQNKLYRLYBKXOI-SJORKVTESA-N 475.571 1.496 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCCOCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540908689 LQMFTAVHCJOEKH-CALCHBBNSA-N 469.608 1.876 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C1 1540937535 CULYYHFWOZURMC-HXUWFJFHSA-N 465.558 1.370 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCCn1cc(Br)cn1 1541104554 AEAGMGMMTFSMNX-STQMWFEESA-N 473.401 1.533 30 10 JDEE CC(C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1541606930 AGRMAYAPQJTOKT-SFHVURJKSA-N 489.621 1.858 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC[C@H]1CO 1541801672 ANOXTAPVJJJKQH-JRGCBEDISA-N 451.575 1.973 30 10 JDEE CC[C@H](C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1545663704 BJKJRQFZJJNWKE-IBGZPJMESA-N 464.618 1.948 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CCS(=O)(=O)CC2CC2)cc1 1555990301 GEFCPEVLPVZABL-UHFFFAOYSA-N 463.585 1.122 30 10 JDEE Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1556383112 HCNOCKOHAXZDGN-YWZLYKJASA-N 456.524 1.782 30 10 JDEE C=CCn1c(S)nc2cc(C(=O)NCC3(N4CCOCC4)CC(OCC)C3)ccc2c1=O 1568413149 CTGXWXLCOYELSK-UHFFFAOYSA-N 458.584 1.871 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCC1 1587638031 AVMIVLUXAIFJQS-MSOLQXFVSA-N 451.662 2.000 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCc2cc(OC)ccc21 1587989593 KUWRDVXMSDKKET-WIYYLYMNSA-N 473.599 1.809 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1CC1CCN(CCN(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1588029044 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C[C@@H](C#N)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1596813086 FOFLCPMAYQIEPF-HRAATJIYSA-N 455.544 1.276 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1617708585 GGFZYTSBBREAJD-UHFFFAOYSA-N 491.581 1.301 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1618841909 AQWZUZXNJIZXID-KRWDZBQOSA-N 473.603 1.055 30 10 JDEE COc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)ccc1C 1619098081 HJMUKJRSBBLBON-BEFAXECRSA-N 462.576 1.572 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Br)c(Cl)c2F)CC1 1628165984 KQABOWGYRDGKHI-UHFFFAOYSA-N 453.721 1.859 30 10 JDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCC(F)F)c3ccccc23)CC1 1664525214 KONUTBJLEIXDTL-UHFFFAOYSA-N 451.495 1.539 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689997081 VPFLJKLOWKHIAB-LNLFQRSKSA-N 463.604 1.231 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1690013616 WUDPXFJBBHFVJV-UHFFFAOYSA-N 480.532 1.680 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc2[nH]ccc12 1690103701 GTQHZIXNTMZVHF-NRFANRHFSA-N 486.598 1.421 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCCC(C)(C)C2)CC1 1690143908 GHPLORPADPJCOS-LJQANCHMSA-N 455.607 1.317 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)C)CC1 1690152677 UMNPQXUTBKVPNJ-UHFFFAOYSA-N 477.569 1.609 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1690153808 BKAPHYYFKDBKBI-UHFFFAOYSA-N 450.572 1.474 30 10 JDEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690230237 VZZRWDOYGWLHOK-KRWDZBQOSA-N 474.363 1.939 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C[C@H]1CCOC1)C1CC1 1690236918 TXWVQBZANOWBLD-FAJBIJEISA-N 453.609 1.875 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1N1CCOCC1 1690622117 IAIALIFCRISIMO-SFHVURJKSA-N 493.605 1.843 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)CCS(C)(=O)=O 1690663292 RKZQWWDIHWBXCU-UHFFFAOYSA-N 486.392 1.499 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN2CCOC[C@H]2C1 1690664442 STRDLDDBUCWFLF-QGZVFWFLSA-N 475.391 1.839 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1690669549 IMUSVKZVNSOQOK-QGZVFWFLSA-N 457.510 1.006 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1690715168 FKIOEQAFXDYIJJ-GVDBMIGSSA-N 459.638 1.506 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(CCOC)[C@H](C)C1 1690720885 SYUSUFBVCYHFSH-QGZVFWFLSA-N 451.568 1.842 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1N1CCOCC1 1690723758 AJDFWKSVSQIMBI-HXUWFJFHSA-N 475.615 1.856 30 10 JDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1690729190 ILTPVGWEBNALOV-UHFFFAOYSA-N 465.576 1.588 30 10 JDEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NC(C)C)C[C@@H]2C)CC1 1690863531 GINDWTXYRMUERS-AVRDEDQJSA-N 478.601 1.330 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Cn1cccn1 1705494797 GAZOQNSORMIROQ-NQIIRXRSSA-N 483.598 1.362 30 10 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C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1705935379 PHTSXLKATIXRJD-UHFFFAOYSA-N 466.652 1.258 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@@](C)=O)cc1 1722398115 XWYJLJQYRAUBQS-WENCNXQZSA-N 458.609 1.570 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)NCc2ccccc2)CC1 1722440227 AYRKLLMTQKUIMS-GMAHTHKFSA-N 466.586 1.464 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCS(=O)(=O)NC(C)C)CC1 1722444714 DVFDDHNLAWXRDW-UHFFFAOYSA-N 458.588 1.239 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCCC1(C)C 1722474688 PQLQAXOLYTZAGD-CBGDNZLLSA-N 451.593 1.418 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1722492437 SJMKXNHRRHEPSQ-UTSKFRMZSA-N 477.653 1.127 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1722565932 FYKOLHLDOSEUOM-UXHICEINSA-N 466.652 1.888 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCC[C@@H]1C 1722676645 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C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286630177 QYDFIPNRQBJVDD-HUUCEWRRSA-N 475.999 1.962 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1286776363 VDLUIAIDTTXHEI-UXHICEINSA-N 461.588 1.937 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286783740 KIZLPEJLOQHCTK-QGZVFWFLSA-N 477.587 1.668 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1Cc1ccc(C(N)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1300484570 QJHRWSRTUTUARI-NHCUHLMSSA-N 492.605 1.989 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1300492278 MJVVXSPHEQZFBO-RBUKOAKNSA-N 485.566 1.888 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOC2=O)cc1 1300537383 GETWSJKRQNLQLK-SFHVURJKSA-N 453.524 1.258 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)OCCc2sccc21 1300672333 YWXNRFWLABQKIO-HRAATJIYSA-N 464.613 1.816 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(OC)CCC(C)CC2)CC1 1300682039 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C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(F)c(F)cc2Br)CC1 1312656939 VPERFNIKEQFIIC-UHFFFAOYSA-N 451.293 1.022 30 10 JDEE C=CCn1c(S)nc2cc(C(=O)NCc3cccc([C@]4(C)NC(=O)NC4=O)c3)ccc2c1=O 1338243814 TXLAFAZOVFUGNH-QHCPKHFHSA-N 463.519 1.856 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)COCc1ccccc1 1358891014 YJYVAIIOCDBBSA-SVFBPWRDSA-N 475.615 1.922 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCNC(=O)C2CC2)c1 1358902519 QLTGXSYYBFGSMB-IBGZPJMESA-N 450.543 1.755 30 10 JDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1358909367 CZALAIWWPWFNFZ-UGKGYDQZSA-N 452.607 1.861 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1358930231 QMTHYQAFRDZWMO-WOJBJXKFSA-N 477.562 1.741 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCNS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358963179 DBYLPNOTZBNFTH-SFHVURJKSA-N 493.655 1.472 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358963181 DCSMIDJYSDUWSI-OALUTQOASA-N 451.637 1.462 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1358965619 YGKOPLMYODTFCZ-MRXNPFEDSA-N 493.536 1.616 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCNS(=O)(=O)CC)CC1 1359042266 YGFZGGROCZUOKV-UHFFFAOYSA-N 493.033 1.894 30 10 JDEE C=C(Br)Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1359088098 BCXYUEVKVYLMHX-FOIQADDNSA-N 497.394 1.700 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1359133390 REAQHEYMPMAESA-MSOLQXFVSA-N 491.618 1.171 30 10 JDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1359219552 UYEKJJDMTCINSE-NRFANRHFSA-N 459.639 1.598 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)NC(=O)OC(C)(C)C 1359240753 WYBWBZVMOGDZFO-HNNXBMFYSA-N 472.612 1.537 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1359334555 JRZLTXNZDKSHLH-SFHVURJKSA-N 476.607 1.051 30 10 JDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)N1CCOCC1 1502913070 AAOBZVQVENYVDE-SFHVURJKSA-N 470.530 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466.652 1.889 30 10 JDEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCS(=O)(=O)CC1 1507955069 AQJMPIVOYMEENF-UHFFFAOYSA-N 458.632 1.844 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)nc1 1508039727 PPKACVLEPUDHHV-SFHVURJKSA-N 450.565 1.002 30 10 JDEE CC(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H](C)C1 1508257507 XQIVVDRYSADPMD-GBWQBGJGSA-N 481.532 1.591 30 10 JDEE CS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1519520059 AQGLSWDYHQHFDF-UHFFFAOYSA-N 451.556 1.579 30 10 JDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539085646 OHNDGKSYOZPQAD-TXBYWVTISA-N 458.563 1.620 30 10 JDEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539086600 JNHLOIPJUYTJTC-GOSISDBHSA-N 452.584 1.829 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1539210290 BCVRLEUBRDOSDK-RBUKOAKNSA-N 461.588 1.320 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCSCC2)cc1 1539295772 FVIFXOHGSNSZPW-LJQANCHMSA-N 486.667 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COc1[nH]c(=NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)ccc1B1OC(C)(C)C(C)(C)O1 2365347172 CPCPUYVPXKRHRA-MRXNPFEDSA-N 462.400 1.774 30 10 JDEE COc1ccc(N2NOC(=O)/C2=C/C(=NC(=O)c2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1 585673601 JWLKXJWSMNVDKR-RWACCHLSSA-N 464.478 1.939 30 10 JDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1 729668496 KKQUOHYGHNPJAH-UHFFFAOYSA-N 459.531 1.202 30 10 JDEE C#CCN1CCC[C@H](NC(=O)NC[C@H](O)COc2ccc(I)cc2)C1 1248677336 YCTZFUWWXMRCGY-HOTGVXAUSA-N 457.312 1.428 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1286391362 HKUOJFMFMLZKAQ-OAQYLSRUSA-N 467.599 1.794 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1286397807 UXVUWVGQJHKJIW-HTAPYJJXSA-N 475.546 1.101 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2CC2(C)CCOCC2)n1 1286470090 PMSKZSCJLSRIGS-UHFFFAOYSA-N 469.590 1.814 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1286473640 VSHORPHGHMXQEV-NTKDMRAZSA-N 476.622 1.846 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccc2Cl)CC1 1286478421 ANDNFPMAWKESFJ-HXUWFJFHSA-N 493.033 1.262 30 10 JDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1286483200 BIYYSNXSODSGEY-UHFFFAOYSA-N 457.600 1.622 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1286493507 CWQSQXFQAJFIGS-NRFANRHFSA-N 468.627 1.736 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1286785593 OQVYHVBDHUKVTH-UHFFFAOYSA-N 466.521 1.475 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1286821501 NNTXEDCJOBZRHJ-HXUWFJFHSA-N 471.587 1.275 30 10 JDEE CC(C)OC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1288360413 CYBVWVJYSOOMAM-FPOVZHCZSA-N 489.598 1.794 30 10 JDEE C[C@H](CC(=O)NC[C@H](c1ccccc1)N1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 1290698711 BUVQKOVFKJGBPQ-YLJYHZDGSA-N 456.568 1.693 30 10 JDEE C[C@@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)C[C@@H](C)O1 1291289047 CRMFZQUXRUEYOW-QZTJIDSGSA-N 458.588 1.551 30 10 JDEE C#CCN(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)C(=O)OC(C)(C)C 1295970677 KATZBJGSFYRNMT-UHFFFAOYSA-N 453.517 1.222 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCOC[C@H]2OC)c1 1300333879 DSFUJROOMKTSOK-QKNQBKEWSA-N 453.543 1.890 30 10 JDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1300411186 RKKGKFVQTKEVFP-FXAWDEMLSA-N 459.572 1.970 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c2c(c1)OCCO2 1300601104 DWFLTVMJXODRRV-ZDUSSCGKSA-N 453.952 1.821 30 10 JDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC2(O)CCOCC2)CC1 1300709689 BGIGMRNHVAGPQA-UHFFFAOYSA-N 457.600 1.876 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1301492878 QIEGSOUIWCHRKL-YLJYHZDGSA-N 470.574 1.421 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C2CCOCC2)CC1 1301576867 BTHOPJGEHCBDKL-UHFFFAOYSA-N 463.579 1.986 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C(C)C)CC1 1301612329 LJKLJLFXVRTEIB-INIZCTEOSA-N 455.650 1.840 30 10 JDEE Cc1cc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@](F)(C#N)C2)n(C)n1 1304727455 HXGUMQLTIPEQDJ-NRFANRHFSA-N 472.550 1.728 30 10 JDEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1358908089 LMTDLCUCKPUFHO-INIZCTEOSA-N 456.934 1.558 30 10 JDEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 1358913287 KEOXFEAZGBCIOQ-WOJBJXKFSA-N 490.605 1.731 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C)CCCC1)[C@H]1CCS(=O)(=O)C1 1358964436 ZBJUFQGNIJFUIC-IRXDYDNUSA-N 454.618 1.387 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCC(=O)N1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1358964845 IJTPEEIISWLSSV-OAQYLSRUSA-N 484.626 1.683 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358966403 OMUGOTMHXIEFJN-SFTDATJTSA-N 490.674 1.539 30 10 JDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CC(=O)N(CCOC)C1 1359002205 RJLYOQGOZWLRCO-SFHVURJKSA-N 487.630 1.501 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCCNC(C)=O)CC1 1359030941 KZFGAWTZVIRFRR-UHFFFAOYSA-N 456.547 1.252 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1359031946 VLVZTLQCFBSOGX-UHFFFAOYSA-N 498.653 1.752 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccc(C)cc2)CC1 1359045738 RLJFMBQCCKVYTJ-FQEVSTJZSA-N 485.610 1.533 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC)C1 1359099275 LULDJKUMQHRDTM-HCXYKTFWSA-N 469.608 1.207 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(-n2cccn2)c1 1359114043 WPZPXKWKFYTNGW-IBGZPJMESA-N 486.602 1.642 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCNS(C)(=O)=O)C1 1359318839 NJRYSLHLUDFDQL-MRXNPFEDSA-N 487.586 1.005 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1359342026 NAGYQXJBISPCKU-YOEHRIQHSA-N 464.617 1.993 30 10 JDEE CC(C)OCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1360396270 CFJMVURFEVZASG-SFHVURJKSA-N 475.619 1.902 30 10 JDEE C#C[C@@H](NC(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)C1CCOCC1 1461710850 KCGSTCUKYWNLIP-LJQANCHMSA-N 456.568 1.701 30 10 JDEE N#Cc1ccncc1N1CCN(C(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)CC1 1469887798 CZERQWMAUHCZAI-UHFFFAOYSA-N 458.519 1.664 30 10 JDEE CC(C)N1CCC(N2CCN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)CC1 1470032257 GNUOGAXVUPBYLY-QHCPKHFHSA-N 452.603 1.859 30 10 JDEE C=C1CCC(CNC(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)CC1 1478307427 ZJUJMPUXIWLZTA-UHFFFAOYSA-N 459.590 1.837 30 10 JDEE CCC[C@@](C)(O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1499931024 GOPOWGGKIOYKCF-XMMPIXPASA-N 485.637 1.988 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1507575584 SIKVUYGYUBIFHS-MRXNPFEDSA-N 451.597 1.028 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)Nc2c(C)cccc2C)CC1 1507741225 XTTNCHFLHFGXMI-UHFFFAOYSA-N 491.596 1.622 30 10 JDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)=O)CC1 1507751047 CPRDVADTFXRQHU-UHFFFAOYSA-N 461.617 1.273 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CCNS(=O)(=O)CC 1507762392 YOXDISPYCMUUHE-GOSISDBHSA-N 469.409 1.978 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1507774441 FMGMVSRGANCVTN-LSDHHAIUSA-N 471.400 1.692 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(S(C)(=O)=O)CC1 1507790941 FZVCJGZUXPGQBA-AEFFLSMTSA-N 451.593 1.509 30 10 JDEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1507835293 UBVCWXIVMDNYLL-UHFFFAOYSA-N 484.626 1.962 30 10 JDEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1508049931 NLSRDHUXWNNQCF-UHFFFAOYSA-N 450.385 1.879 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1508059048 LIMKILKIZQMALZ-MSOLQXFVSA-N 469.514 1.653 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(CC(F)(F)F)[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508098711 QXIOYEYSXSUCOI-OXQOHEQNSA-N 474.528 1.694 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](Cn2cccn2)C1 1508139046 CPQVBYCPAPEPMC-SFHVURJKSA-N 457.560 1.351 30 10 JDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 1526418369 RNSMJNKZTKKLLJ-NRFANRHFSA-N 450.543 1.777 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1539204690 BXNNOMXBNJULFT-MZKRTTBSSA-N 458.584 1.598 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCNC(=O)[C@@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 1539212625 WORXJVLAQGRUPB-ZWKOTPCHSA-N 458.588 1.519 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2oc(CCC)nc2C)CC1 1539488137 IIZBYMBTPBQPKW-UHFFFAOYSA-N 467.574 1.664 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1539630426 FBIKVOSFGMCVAD-SJBKTWHCSA-N 460.623 1.754 30 10 JDEE C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1539785860 FOTYUMJCWGVQMU-UHFFFAOYSA-N 470.965 1.727 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccc(OC)cc2)CC1 1540862672 GWGDPSSTYXJCFK-INIZCTEOSA-N 476.603 1.583 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1540864993 RDRAUDQHDDPQAS-QFIPXVFZSA-N 475.571 1.280 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCCC2)CC1 1540917333 SRXGVSZBOCZIHQ-HXUWFJFHSA-N 498.719 1.985 30 10 JDEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CC1 1547413320 AAKIOCXHEJBZKV-UHFFFAOYSA-N 492.628 1.723 30 10 JDEE CCn1nccc1C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)[C@H](C(=O)NCCOC)C1 1548368047 MVCAHBBJCAJYRY-IBGZPJMESA-N 478.475 1.887 30 10 JDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCN2S(C)(=O)=O)cc1 1554978724 DQZKUSMXTYLOAI-APWZRJJASA-N 476.559 1.018 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2c(F)cccc2Cl)C1 1555812551 GMECEJZQVTWUBE-GUYCJALGSA-N 484.941 1.181 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(Oc3cc(C)ccc3C)nc2)CC1 1563419130 KVEPTGGNOCAAMJ-UHFFFAOYSA-N 457.556 1.786 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1588024885 PIWPWOAEHCRHRK-SFHVURJKSA-N 489.598 1.303 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1588049265 DDOLGZVGNFKPLB-SFHVURJKSA-N 456.572 1.334 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1588059035 HWRBJQZONXPNKK-LJQANCHMSA-N 456.547 1.840 30 10 JDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1588432834 IVLOKDFOKGCOTO-XZOQPEGZSA-N 452.603 1.642 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CC(=O)N1CCN(c2ccccc2)CC1 1588638312 RPMISPIYNGELMJ-JOCHJYFZSA-N 466.586 1.955 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1589059766 JTEXQBXADPLGFW-HKUYNNGSSA-N 473.647 1.165 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCC[C@@H](C)C1 1594961608 CXAZPWOFRQOGFA-MOPGFXCFSA-N 454.641 1.745 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1595550702 HSKFUGDDMHDIKZ-HNNXBMFYSA-N 480.541 1.087 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCO[C@H](c2ccccc2)C1 1595788771 JELXVPKRUFXDIU-OALUTQOASA-N 459.572 1.798 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)cc1 1637629358 JNDPPGUTOWJVMN-NRFANRHFSA-N 453.561 1.907 30 10 JDEE C=CCN(CC(=O)OCC)CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 1641631096 GNIBVEDGJLPLCM-UHFFFAOYSA-N 459.568 1.724 30 10 JDEE N#Cc1ccc(N2CC[C@@H](S(=O)(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)C2=O)cc1 1643978070 BVJLKPFMDWBBNW-HXUWFJFHSA-N 459.549 1.922 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CCN(C(=O)NCC)C3)nnc12 1650858196 FDOZYXMRJIMZBL-CQSZACIVSA-N 455.544 1.242 30 10 JDEE C#C[C@H]1CCCN(CC(=O)N(CCCOC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1659178534 WUXGEVFWANZQIM-SFHVURJKSA-N 453.543 1.294 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)CC1 1662276356 VNOWPUDTVDXQRS-UHFFFAOYSA-N 456.450 1.508 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n1 1677108540 CRDOJFVSTWSNPX-HXUWFJFHSA-N 452.559 1.576 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1689978440 VUWZZISFCGGDQB-AZUAARDMSA-N 471.583 1.810 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1689984335 NKOXQVPWNBLMTI-OFNKIYASSA-N 458.584 1.940 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1690123974 BLNMXBLSXTYJRS-PGRDOPGGSA-N 461.588 1.053 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2COCCO2)CC1 1690124463 LYLKDKLUDXNGGT-VQTJNVASSA-N 474.606 1.563 30 10 JDEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCN(C)C(C)C)CC1 1690130471 GUWKMQCCQJTCFJ-UHFFFAOYSA-N 478.689 1.738 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1690139388 KNVSLJWWWNKCIV-PZJWPPBQSA-N 482.541 1.871 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1690288184 LKYRINOZUJDMRT-HXUWFJFHSA-N 488.614 1.586 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)CC)C1 1690485155 MKUVTIYDRTUEHR-IRXDYDNUSA-N 454.597 1.072 30 10 JDEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1690634621 HTBGGWXMUOERSG-UHFFFAOYSA-N 472.937 1.260 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1690672749 BSXMTIXRJUZIDN-HXUWFJFHSA-N 497.619 1.833 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1690722410 IJJQZIPMTDFOKF-SFHVURJKSA-N 475.619 1.467 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1705559377 ZGSGMTSRBPNLNK-QGZVFWFLSA-N 451.593 1.128 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCCN1CCC[C@@H]1CO)[C@@H]1CCS(=O)(=O)C1 1705563475 YJSXQAWXGQLDGJ-DHIUTWEWSA-N 496.637 1.680 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705566234 MMYICHCYJSDTGS-NSHGMRRFSA-N 489.646 1.193 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccccc1OCC=C)[C@H]1CCS(=O)(=O)C1 1705568587 QVVNKSWIRGMQEV-FQEVSTJZSA-N 483.594 1.640 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1705571446 ZJHNCAUSTSEORF-SFTDATJTSA-N 456.616 1.765 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705571884 KDCHUQMIMQDKNS-MHTWAQMVSA-N 479.647 1.361 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1705596264 YPSQBPPGLADWMJ-IBGZPJMESA-N 487.564 1.150 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCN2CCCO[C@H](C)C2)CC1 1705649227 PUJQGKOPAXMAQX-HXUWFJFHSA-N 465.602 1.807 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)cs2)CC1 1705730169 GOFWHMMKFHLRIX-MRXNPFEDSA-N 469.637 1.573 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC2CCOCC2)CC1 1705898225 FRXFOBTWGFCTCC-UHFFFAOYSA-N 484.601 1.813 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1705902979 NWNKXYIWAMVHDV-PWRODBHTSA-N 487.649 1.291 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1705903812 VMVMIYBEAMKQBE-GOSISDBHSA-N 469.590 1.718 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(C)(C)C)CC1 1705904660 UQFSQIDHROMHBT-KRWDZBQOSA-N 466.608 1.096 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705935634 XSSIOJSZNWZAJJ-QGZVFWFLSA-N 470.592 1.622 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1705938154 OSVLLZYGLXPAMG-JTSKRJEESA-N 480.562 1.981 30 10 JDEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1708278359 GDJSQEVTPNJSEL-CEXJFXJFSA-N 454.531 1.360 30 10 JDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1709937848 BOOSARRNECOPCQ-FQEVSTJZSA-N 458.588 1.552 30 10 JDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCC(=O)N1CCCCC1 1710734356 ACAWJMBLKGJTCV-GOSISDBHSA-N 467.578 1.594 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCN(CC)C2)c1 1722307693 UOWSAYHLFWYCPN-HXUWFJFHSA-N 463.586 1.799 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1722326548 VJCFXCQBWVZHRB-JPYJTQIMSA-N 473.599 1.993 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722360099 CWKLFEIPXJLVEE-QYZOEREBSA-N 457.604 1.482 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1722371266 VEYKVICMXAKTFP-SFHVURJKSA-N 462.547 1.928 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1coc(-c2ccc(C)cc2)n1 1722372656 BUYXPKSDIQHGGV-QGZVFWFLSA-N 452.540 1.973 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCCS2)n1 1722429378 LEERAZRLXGNMCM-RTBURBONSA-N 457.604 1.998 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCS(C)(=O)=O 1722429778 VZHHCYQCTAAIRL-UHFFFAOYSA-N 483.635 1.913 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccnc2OCC(F)F)CC1 1722432654 BVLKMQIZTAZFOF-QHCPKHFHSA-N 476.528 1.773 30 10 JDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722453030 NIKGJSFHFFCBKR-GOSISDBHSA-N 462.620 1.391 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1722683305 LTZCIACRKWYWEJ-KRWDZBQOSA-N 493.597 1.758 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1722694689 DWIWWNDGDCTPCU-MRXNPFEDSA-N 456.547 1.712 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1722725771 RGWMVNQJFQYIBR-UHFFFAOYSA-N 480.594 1.964 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(F)cn2)CC1 1722729346 ZCHHDLRPHNJUPX-KRWDZBQOSA-N 464.567 1.634 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1722729649 SISGKJINFODKBN-LJQANCHMSA-N 457.560 1.176 30 10 JDEE CCOC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1728720028 DMHLVQRGSPKNCQ-KRWDZBQOSA-N 455.519 1.532 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1740626274 SZVKHUNBKIAXHP-CYBMUJFWSA-N 487.479 1.155 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(SC)CCN(C)CC1 1740685370 FFKDZQZIBWBVKP-KRWDZBQOSA-N 455.650 1.094 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOc2ccccc2)CC1 1740700985 PTIHDLFWWDNUQR-UHFFFAOYSA-N 464.570 1.949 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C/C=C\c2ccccc2)CC1 1740702351 MGGBOZWYJYUVFP-YFWYWMRJSA-N 470.599 1.568 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(F)c(F)c1 1740900054 LBPITWRNFPZNSY-QGZVFWFLSA-N 457.503 1.590 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1740991591 ACSZCEIXUKIVIO-HRAATJIYSA-N 450.536 1.620 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740991735 CNRHZHBWBYBTEZ-ICSRJNTNSA-N 466.652 1.066 30 10 JDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1740997181 NHAIXXQAWGRKAB-QGZVFWFLSA-N 492.627 1.755 30 10 JDEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](COC)OC)CC1 1746558801 DMAFJLPLCROPNC-IBGZPJMESA-N 458.519 1.669 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)CN(C)C)c1 1748693012 VMQIEQZKPGNQMK-IBGZPJMESA-N 451.575 1.873 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748803856 AHXQCALTMVPXCY-PTUXOGIPSA-N 480.631 1.761 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748804909 MHVINPYIJYBFLA-HCXYKTFWSA-N 454.593 1.444 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1748847922 YMZXPNCJGSIUKU-PMACEKPBSA-N 471.583 1.228 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(F)F)c(F)c1 1748860149 WWDJJLXVKSIPPL-SFHVURJKSA-N 497.499 1.473 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sccc1C 1748892456 PBBKHRLMCLQUCZ-GOSISDBHSA-N 461.613 1.687 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCS(=O)(=O)C1 1748950177 GBHGKUSYYKFOAA-ZDUSSCGKSA-N 456.366 1.556 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCC[C@@]3(CCOC3)O2)CC1 1748971038 AZWPSGBSZBVMCM-RDPSFJRHSA-N 458.607 1.680 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1749001716 ZPPUTUISQVLTSB-ICSRJNTNSA-N 474.606 1.214 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1749042849 AGSRQRXJROJNQJ-INIZCTEOSA-N 459.576 1.851 30 10 JDEE C#CCSCCn1c(N2CCN(c3cccnn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749049750 QGHVJRLNKQIVIP-QFIPXVFZSA-N 457.604 1.802 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(C)=O)cc1 1749067785 XCUDMPBAPOQVPT-NFBKMPQASA-N 486.598 1.610 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1749083352 DYDNLIUFVORSME-UHFFFAOYSA-N 496.454 1.850 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(CC)C1 1749132071 YCSGQXVBVZUSES-MDPIYQRISA-N 483.635 1.598 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCc1cccc(F)c1)C1CC1 1749669587 LZYHZYCNKRFVTF-KRWDZBQOSA-N 461.563 1.833 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1749719436 VIGMFMPISKUZBK-RTBURBONSA-N 454.531 1.174 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749738216 JEWUIYIQLLVVPQ-KRWDZBQOSA-N 468.601 1.390 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1760098814 WYNOAPNVPSSGBM-KFGODFMUSA-N 480.635 1.849 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H](C)CN2CCOCC2)c1 1760129136 ZAPUAUJEFNNTFI-PZJWPPBQSA-N 466.586 1.807 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1760144120 DUQLEMSEIKKQHC-SFHVURJKSA-N 450.547 1.921 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)c1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1760189273 TWQPYRAXKLQKFD-OALUTQOASA-N 473.574 1.973 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CC[C@@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1760190946 XHBLTWBOASQJQI-DLBZAZTESA-N 471.505 1.858 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1760191668 LLYRWHNCYWBBBG-FQEVSTJZSA-N 468.583 1.823 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1760193368 XYVVKBLNJCIAMX-QGZVFWFLSA-N 460.556 1.529 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCCNC(=O)OC(C)(C)C)CC1 1760261019 IVNCASQGCYRHGV-UHFFFAOYSA-N 459.595 1.461 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCOc2ncccc2F)CC1 1760268124 CVHKCKGIXQUPRL-UHFFFAOYSA-N 450.478 1.314 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCC2CC2)C1 1760280220 DUOJWXSJVCFQOY-RTBURBONSA-N 483.660 1.373 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CN(CC(C)C)CCO1)C1CC1 1760476821 HUGNAWUMVOMESX-WOJBJXKFSA-N 482.651 1.123 30 10 JDEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)cn1 1769871346 AUDXMPABWMCYBS-IBGZPJMESA-N 498.613 1.474 30 10 JDEE CS(=O)(=O)N1CCC(C(=O)Nc2ccc(NS(=O)(=O)c3ccccc3C#N)cn2)CC1 1858293233 QGJDQIVMVMTPTR-UHFFFAOYSA-N 463.541 1.364 30 10 JDEE C=CCOc1ccccc1OCC(=O)Oc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O 1865744719 GOBYGWJAWGASFM-OAHLLOKOSA-N 464.430 1.637 30 10 JDEE CN(C)c1cccc(-n2nnc(C#N)c2NC(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)c1 1870151078 LGZRHNPCPVHQQG-OAHLLOKOSA-N 459.466 1.895 30 10 JDEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(N3CCN(c4ccccn4)CC3)ncnc21 1873562858 WLPYQWYTGKNVQQ-UHFFFAOYSA-N 476.585 1.089 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180981044 PIFHFLZWHIFPAP-ZDUSSCGKSA-N 476.368 1.702 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255636338 SJYMFNKBDKIAKU-TZMCWYRMSA-N 453.370 1.712 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2255645999 STHPNTLXSSKOFY-ZDUSSCGKSA-N 453.370 1.808 30 10 JDEE CCOC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256636135 JULYJYYESVXLLF-AWEZNQCLSA-N 455.386 1.988 30 10 JDEE CC(C)(C)OC(=O)NC1(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCOCC1 2267091953 TWDLFCSMOCXQMR-UHFFFAOYSA-N 450.345 1.513 30 10 JDEE Cn1cc(C(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1 2267134778 URIBIXGMMDIZJU-RTBURBONSA-N 484.362 1.533 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@H]1C(F)F 2267145905 JSCRLPPLCSVUAC-DGCLKSJQSA-N 456.299 1.939 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2COCC[C@H]2NC(=O)OC(C)(C)C)n1 2267178426 BJVOZCIFSHQUEA-CABCVRRESA-N 450.345 1.131 30 10 JDEE CC(C)(C)OC(=O)N1CCN(NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2267375820 MRLDSLTUEHPSRX-UHFFFAOYSA-N 468.385 1.127 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268681178 PKRBQMPJDVOGNF-HXUWFJFHSA-N 468.385 1.350 30 10 JDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2281813436 CTEKIBGVFMQEPV-OAHLLOKOSA-N 463.388 1.000 30 10 JDEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C1CCN(C(=O)OC(C)(C)C)CC1 2282180788 XJLYMMPJYBRVCT-CQSZACIVSA-N 463.388 1.880 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC[C@]2(CNC(=O)OC(C)(C)C)C1 2282184216 PTIAEBWARJDHPX-PEBXRYMYSA-N 461.372 1.491 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]12CC[C@@H]1CN(C(=O)OC(C)(C)C)C2 2282699326 ISETVBUCOSCKDC-JLCFBVMHSA-N 461.372 1.491 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282709089 VFXJLWXFTSBOTA-UHFFFAOYSA-N 468.306 1.976 30 10 JDEE CN(CCCCN(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)OC(C)(C)C 2282855709 IOUVHMTWJAWRMC-UHFFFAOYSA-N 486.444 1.987 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCCC[C@@H](NC(=O)OC(C)(C)C)C1 2282860220 XIXMJTOKXDCZKN-OAHLLOKOSA-N 484.428 1.787 30 10 JDEE C[C@@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@@H](C)N1C(=O)OC(C)(C)C 2282868826 SUGUVESWTUCYCT-ZIAGYGMSSA-N 485.416 1.133 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2283946139 KBYKMNSNONCFOY-UHFFFAOYSA-N 469.294 1.936 30 10 JDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccc(O)cc1O 2330794700 OGPJELPQKKQCOG-UHFFFAOYSA-N 454.512 1.616 30 10 JDEE COC(=O)c1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc1 2332198147 NJGGUAJIPQIHRH-UHFFFAOYSA-N 456.418 1.803 30 10 JDEE CCCCCCCCCC=CCCC=C[C@@H](O)[C@@H](N)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2333271020 HWRVJNPAUIAOKZ-NYKKKEQHSA-N 459.624 1.524 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F 2337198471 KDGGIDYMECYAEF-ZIAGYGMSSA-N 452.336 1.797 30 10 JDEE C=CCn1c(SCC(=O)CC(=O)OCC)nc2cc(C(=O)N3CCOCC3)ccc2c1=O 9474221 IXEAUQUFOVPLOP-UHFFFAOYSA-N 459.524 1.669 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(Cc4nc(N)c5ccccc5n4)CC3)cc2C1=O 29863115 KHGSKXREMYCJJY-UHFFFAOYSA-N 456.506 1.952 30 10 JDEE CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 31295433 MNSVBCVLCCMJAC-LJQANCHMSA-N 497.621 1.913 30 10 JDEE CN1NOC(=O)/C1=C/C(=NC(=O)c1ccccc1)C(=O)NC1CCN(Cc2ccccc2)CC1 585673676 ODZVFJRPDVJEAU-YUJVXEOTSA-N 461.522 1.841 30 10 JDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(OC)c(F)c1 729672301 HMBOCHFYWZMQHJ-UHFFFAOYSA-N 477.521 1.724 30 10 JDEE COc1ccc(CCNC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)cc1 1084417642 BVPGUXDUKNISBZ-UHFFFAOYSA-N 472.575 1.516 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)c1 1136310722 TUKJDPDSEGQFMZ-KRWDZBQOSA-N 451.545 1.393 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2csc([C@@H](C)OC)n2)CC1 1286490953 YISJKTWZOUYPOF-PBHICJAKSA-N 471.587 1.407 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1286670684 JTSAHNWTMJNMHO-ROUUACIJSA-N 480.635 1.462 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C(=O)NC)C1 1286779342 GQCQBCQNYBASBT-OAHLLOKOSA-N 481.326 1.100 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1286787185 QNHAVHXGERMBKO-UHFFFAOYSA-N 452.563 1.703 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](C(N)=O)C1 1286816325 JMYWEDFDKNIGKT-INIZCTEOSA-N 463.560 1.265 30 10 JDEE CC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H](C)CC(N)=O)CC1 1286856144 HFWXSZBFNMMBJP-MRXNPFEDSA-N 453.547 1.687 30 10 JDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1295164864 GHBKWCSGWABEAY-PXNSSMCTSA-N 458.588 1.551 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(CCN(C)C)CC2)CCO1 1299133225 GCIIWPALFVGQHQ-JOCHJYFZSA-N 480.617 1.042 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(SC)CC2)c1 1300330528 BZIKJCNFZFYLIE-HNNXBMFYSA-N 476.628 1.840 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1300502893 ZIMOOWWPNFPAEM-NHCUHLMSSA-N 490.651 1.657 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)Cc2ccccc2C1 1300538733 UUXSNYBFPXLRAS-NRFANRHFSA-N 451.596 1.352 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccsc1 1300577826 CMDIUCTWEJNMHR-GHTZIAJQSA-N 477.612 1.043 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCC(F)(F)CC2)CC1 1300699517 DTPUMGMEZRSZGB-SFHVURJKSA-N 486.589 1.192 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccn2)CC1 1300829830 BDOWNLZDDREUJV-AWEZNQCLSA-N 470.397 1.519 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)N1CCOCC1 1302231106 FAECMXPMUPDFCC-ROUUACIJSA-N 489.577 1.328 30 10 JDEE CCC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CCO1 1306630819 CUFOSXVNZLPIEM-OAQYLSRUSA-N 468.558 1.983 30 10 JDEE CO[C@@]1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC=C(c3ccc(C#N)cc3)CC2)CCOC1 1315267440 AMDLTUJDGDICID-UZUQRXQVSA-N 486.598 1.859 30 10 JDEE CS(=O)(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 1316352504 GQTYZIRYMPSORU-OAQYLSRUSA-N 492.627 1.068 30 10 JDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)Cc2cccc(F)c2)C1 1316529458 ADCRDENSUTWXMB-HRAATJIYSA-N 478.525 1.120 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1358959162 CUPCAJLJNCINPJ-IBGZPJMESA-N 484.582 1.565 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCNC(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1358963775 NUYOUWWNLXBBEH-HXUWFJFHSA-N 457.600 1.842 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(CS(C)(=O)=O)CC1 1358978816 VRIHQNKAEOLOPZ-UHFFFAOYSA-N 467.599 1.350 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC[C@H](C)C1 1359024011 CQZDLXFZNNWQQQ-OALUTQOASA-N 451.637 1.777 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ncccc1F)C1CC1 1359251290 HSFLYYNYBJSGHL-KRWDZBQOSA-N 466.539 1.379 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCC[C@@H]1NC(=O)NC1=O 1359254830 FCXRLHDRVIUCRH-IBGZPJMESA-N 476.541 1.567 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCC(=O)N(C)C)C1 1359312861 BVNYPHSOVOTWMR-QGZVFWFLSA-N 475.619 1.806 30 10 JDEE CC(C)(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1359549187 FZMAYWCUAXABAW-UHFFFAOYSA-N 498.613 1.845 30 10 JDEE CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 1475276393 DBAQKVYCCSFDKL-UHFFFAOYSA-N 453.517 1.838 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(OC)CCOC2)c1 1507548511 SVIPNUNNFTWXIG-VWLOTQADSA-N 489.536 1.787 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(OCC(F)(F)F)c1 1507617674 YEVIMCZXRGDQOL-OAHLLOKOSA-N 488.492 1.065 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 1507623697 VVYCUIKNAHKIAD-SFHVURJKSA-N 465.526 1.564 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1507633286 FMXFAEDPKMXODI-INIZCTEOSA-N 475.525 1.456 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc2ccccc2[nH]1 1507672160 VFZNIMJVNMZKSR-JOCHJYFZSA-N 480.594 1.798 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSc2ccccc21 1507689939 NWYZLAGVVISTBY-AEFFLSMTSA-N 461.613 1.960 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccc(F)c2F)CC1 1507736225 MNJARHULUQSEGQ-HNNXBMFYSA-N 494.568 1.375 30 10 JDEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507789627 GIHPOYLGJCLOSZ-UHFFFAOYSA-N 493.410 1.623 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(=O)OC)C1 1507916869 VQFBHTZYBJCFTJ-CVEARBPZSA-N 455.581 1.213 30 10 JDEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1508048288 PVRZUALSBYLMIX-AWEZNQCLSA-N 451.549 1.627 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1508086026 KIKGJNJFAFSGKQ-UHFFFAOYSA-N 464.567 1.076 30 10 JDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1508093092 ALGYGCQFZMDSCJ-UHFFFAOYSA-N 452.563 1.134 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCC(CCCO)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1521074798 DBBPIWHQPXYFRQ-JOCHJYFZSA-N 459.572 1.355 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1539205731 JXVDJTARBOUKTF-JTAQYXEDSA-N 479.647 1.289 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1539215866 KPPSLYSZDYWGNF-SIKLNZKXSA-N 472.546 1.352 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1539216489 STYQBCOSPOKHRP-VGSWGCGISA-N 455.540 1.776 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539217016 ZFCALFGOKQHIFC-QUCCMNQESA-N 472.615 1.244 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCC(=O)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1539222871 XVBUTJQLPBUTFR-RBUKOAKNSA-N 465.620 1.795 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1539231738 XLRSOJMIQKZWFG-SFHVURJKSA-N 477.562 1.395 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1cccc(C)c1 1539416653 RBIABXDGIXOOFP-PZJWPPBQSA-N 475.615 1.809 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539533312 OHENSWLNAFSQNR-QESAQDPVSA-N 490.674 1.357 30 10 JDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1540857031 RCEHNILYWHMUQD-SJORKVTESA-N 465.558 1.746 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(F)c(Cl)c1 1540863229 RSKRDDVQITWUHN-LBPRGKRZSA-N 458.947 1.619 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1540864184 RZNCIKAGGVRCOS-MRXNPFEDSA-N 490.406 1.940 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCS(C)(=O)=O)C1CC1 1540864377 XVZXNRFFDSBYJQ-UHFFFAOYSA-N 471.381 1.351 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(NC(=O)CCC)CC1 1540871003 BICUHPQUBHZCIT-FQEVSTJZSA-N 468.558 1.978 30 10 JDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1540873665 FXMGISGXEVFRHJ-LJQANCHMSA-N 457.623 1.446 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(NC(=O)COC)CC1 1540874137 WNXFBTGOCQSUTA-UHFFFAOYSA-N 465.558 1.384 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1540875325 IBRNHJNAVQSKSZ-LJQANCHMSA-N 472.521 1.126 30 10 JDEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCN(C(=O)Cn3cnnn3)CC2)cc1 1540879075 SBSKJVPEXAWPMQ-UHFFFAOYSA-N 465.562 1.425 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1540908881 QEGVFUBQIJSBJU-HSZRJFAPSA-N 473.599 1.879 30 10 JDEE COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCO[C@H](C)C2)CC1=O 1555573545 BYDWUEURRBIWQU-UYAOXDASSA-N 468.558 1.839 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(c2ncc(I)cn2)CC1 1564675130 LCUVTTRZOKDJDA-ZFWWWQNUSA-N 457.316 1.894 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1587621414 UDEPTUXZKHDBSQ-MWTRTKDXSA-N 484.582 1.243 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CCC)C(=O)OC(C)(C)C 1587638757 HELJPPCSPYWUJX-QZTJIDSGSA-N 498.650 1.716 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2OC)CCC1 1587989748 OBWIGTWWJQQZEW-HXUWFJFHSA-N 473.599 1.811 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1588039834 FSRZTGYEVHWTLX-QGZVFWFLSA-N 479.990 1.760 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CC1CCN(CCN(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1588059015 HNWBKGYLYVVJJK-OAQYLSRUSA-N 464.680 1.377 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOc2ncccc2F)CC1 1588752380 RFPIQOYUFXLMQR-HSZRJFAPSA-N 458.538 1.687 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(OC)c2OC)CC1 1588930200 PLQSGOLQBLTJAL-IBGZPJMESA-N 453.543 1.813 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccccc1)C1CC1 1595054976 WGTPBIQVABRTEL-KNQAVFIVSA-N 461.588 1.674 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1595334593 BCSAPMWBWSIQQF-GOSISDBHSA-N 460.604 1.540 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1595550673 GZKPNXGTUFSKNU-PZJWPPBQSA-N 492.690 1.963 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1595798217 NPVRAZZHLQXJNI-QZTJIDSGSA-N 451.593 1.364 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1595883804 BWCTZMOKLOFMNU-TVKQPGBESA-N 456.634 1.872 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cccc(N2CCOCC2)c1 1611696190 DAZQHKQETBUVQZ-MBSDFSHPSA-N 487.630 1.903 30 10 JDEE CC[C@@H]1CCCCN1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1614139150 AYALGLWOYNVABH-QRVBRYPASA-N 467.640 1.614 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCC[C@H](C)C2)CC1 1615938151 AKRCLTDAWJNRSR-FQEVSTJZSA-N 464.618 1.807 30 10 JDEE CSC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)CCN(C)CC1 1620222360 ATCBCSVOOFPEQE-SJORKVTESA-N 485.680 1.034 30 10 JDEE C#CCN1CCN(C(=O)[C@H](Cc2cccc(Br)c2)[C@@H]2CCS(=O)(=O)C2)CC1 1631503437 DYTJTKYMCIHZDU-IEBWSBKVSA-N 453.402 1.820 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)N(C)C 1689853804 YRSPWGCXYCJQMX-IHPCNDPISA-N 460.604 1.372 30 10 JDEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 1689887319 XEGREEVSFAMRKN-UHFFFAOYSA-N 490.612 1.737 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@](C)(O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1689987654 ACSVXQWOJIOADL-KNQAVFIVSA-N 489.001 1.866 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689994282 VMAVNOOHYCSGMB-SFTDATJTSA-N 491.683 1.914 30 10 JDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1690003546 QGIYGWZBKPJRMS-XMMPIXPASA-N 470.595 1.984 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1690044008 VWNZYIJLONXCKF-UXHICEINSA-N 450.543 1.667 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1690124078 DZWGCXJAAFINBZ-FQEVSTJZSA-N 457.600 1.574 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1690135209 RQINXOVGMGSRDW-JOCHJYFZSA-N 495.628 1.694 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCNC(=O)c2cccc(O)c2)CC1 1690142353 MFCGVCUSMVXBJO-UHFFFAOYSA-N 490.568 1.170 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1690175443 XPTDGSKQHYNQBL-ROUUACIJSA-N 475.644 1.442 30 10 JDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1690175554 ZQFHIJKUXAVZTF-IBGZPJMESA-N 454.600 1.909 30 10 JDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690220100 RPKVSRHCTCBMIG-KBPBESRZSA-N 451.387 1.924 30 10 JDEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCNS(C)(=O)=O)CC1 1690372541 QCGNGZWYWNROND-UHFFFAOYSA-N 457.560 1.288 30 10 JDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1690451765 OSCMPQCOTNFODN-QGZVFWFLSA-N 458.592 1.838 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1690670477 CBJNFEMJURATIV-WBVHZDCISA-N 457.531 1.545 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C/C(C)=C\c1ccccc1 1690670727 HWIQGCDUTFXMJO-BXWQOUMASA-N 488.614 1.453 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(C(C)(C)C)no2)C1 1690700226 PBWXFIVCBZDXMT-SJLPKXTDSA-N 494.618 1.726 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1690722414 IMWMCFHHJWXJOV-UHFFFAOYSA-N 464.592 1.942 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1690723850 BZYHIDWURUSOTK-DLBZAZTESA-N 450.565 1.848 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)Cc1cccc(F)c1 1691003037 BGNMGIQFHYENKT-DOTOQJQBSA-N 462.551 1.274 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705561015 MUDREDIGHQTCJB-LEOXJPRUSA-N 480.631 1.498 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CC1CCN(CCN(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1705564529 OWJWTNYOFACVGA-QHCPKHFHSA-N 484.670 1.845 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ncccc1Cl 1705612874 QZSNDUXTPYXNIE-INIZCTEOSA-N 468.967 1.198 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2nnn(C)n2)CC1 1705647053 YNBFBKMABZGERV-UHFFFAOYSA-N 490.391 1.307 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(=O)(=O)N(C)C 1705669509 OSAHPKLGEUGYIB-OAQYLSRUSA-N 493.659 1.430 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1705791732 CPWIAPFLTDUXDO-IBGZPJMESA-N 480.679 1.773 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CCOCC2)C1 1705819254 HWDTWQUSMPNUHV-GOSISDBHSA-N 453.609 1.974 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1705898456 MIJQZQGOSNXMDY-QFIPXVFZSA-N 456.503 1.295 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](COCC)C1 1705898756 WQLYCWYBMRMFDP-KRWDZBQOSA-N 451.535 1.476 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1705900024 NMQCDWIAJDWNLT-PMACEKPBSA-N 452.607 1.637 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2ccnc(C)n2)CC1 1705905004 GANOPBMZKQWBHL-UHFFFAOYSA-N 450.522 1.735 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1705906683 LYUNCPOFXMZOAF-LJQANCHMSA-N 461.588 1.871 30 10 JDEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1706152396 HFIKNZDVWSKJJE-UHFFFAOYSA-N 494.600 1.696 30 10 JDEE COC1(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CCC1 1711616608 DOWQVNGUIVFQCP-QGZVFWFLSA-N 452.581 1.310 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1722332786 ORKMREWYGZYJII-NHCUHLMSSA-N 487.626 1.156 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Br)cc1 1722350793 DOPHKUHESGKAFX-KRWDZBQOSA-N 482.404 1.686 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722359976 BTADWGWMRAXZKZ-LJQANCHMSA-N 470.599 1.806 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1722363979 IXXXNDVTEUUPBG-VQTJNVASSA-N 457.600 1.971 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCOCC1 1722429138 OEMCEOPDGGNETI-QFIPXVFZSA-N 487.626 1.147 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nc(C(C)C)cs2)CC1 1722431949 QSSAQAXQBOOHBW-OAHLLOKOSA-N 451.622 1.272 30 10 JDEE C=CCCCn1c(-c2ccccc2OC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1722611944 OZSOGZADRBGMRV-UHFFFAOYSA-N 466.546 1.387 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1722696648 RQTSBWIUNBXAAK-UHFFFAOYSA-N 495.628 1.781 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722707229 JTMWJHWCFYHHIQ-HKUYNNGSSA-N 461.588 1.865 30 10 JDEE Cc1cccc(O[C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)c1 1724241682 DOAOFTILECNTTK-LZNRXBQRSA-N 492.577 1.829 30 10 JDEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CC1 1729690893 DQEDITQOLQZNED-UHFFFAOYSA-N 463.464 1.848 30 10 JDEE COCCN(CCC#N)c1nnc(-c2cccn2C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1730761024 FWZTVADEVTZPJV-QGZVFWFLSA-N 455.485 1.913 30 10 JDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncnn2C(C)(C)C)CCN1S(C)(=O)=O 1731150191 DIUIAZGVOXCUMC-INIZCTEOSA-N 483.602 1.682 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCNC(=O)C2CCC2)c1 1740563825 YHZQITSSQZXIOV-HXUWFJFHSA-N 477.569 1.592 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccnc(SCC)c1)[C@@H]1CCS(=O)(=O)C1 1740622309 BNWQVCHNFOTBAN-QGZVFWFLSA-N 469.596 1.917 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1740624209 DPENYKLPNWXTRL-HKUYNNGSSA-N 497.042 1.584 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1740625024 LXUKFBZLGRGYKU-NHCUHLMSSA-N 470.599 1.149 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1740627765 KIFXDKFUFHEXRO-ZYSBOAIWSA-N 480.587 1.534 30 10 JDEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(C(N)=O)CCOCC1 1740661977 AFOCORUYYAZRNP-UHFFFAOYSA-N 457.531 1.713 30 10 JDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1740737519 POUSABKUTZHLPZ-OAHLLOKOSA-N 490.424 1.453 30 10 JDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1740782102 CDMQTTBDJJLWLK-GOSISDBHSA-N 464.636 1.327 30 10 JDEE C=C(Cl)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1740816646 JYSYPBXCAPCCCJ-STQMWFEESA-N 463.898 1.884 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)NCCC)CC1 1740876167 OUDZLCWBVNZEFS-GOSISDBHSA-N 468.624 1.320 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)[C@@H]1CC 1740968236 FVWKXXOFTXOKGW-RDJZCZTQSA-N 462.576 1.216 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCCc2ccccc2)C1 1740982860 XRJLWFCDGWYBCX-VQTJNVASSA-N 473.599 1.320 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)CC1CC1 1748651901 SXYCKBRDQZDUSY-HNNXBMFYSA-N 450.586 1.631 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCCS1(=O)=O 1748680902 YMUFGCFVCVWIJF-NRFANRHFSA-N 485.658 1.136 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(CCC)CCC1)[C@H]1CCS(=O)(=O)C1 1748804457 IAKLRTWJXRSTEQ-IRXDYDNUSA-N 471.649 1.485 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCOC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748814161 ACBDMCYFDSTGQC-MJGOQNOKSA-N 463.604 1.595 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1748831847 ZXDIKEVGLMCMEQ-QHCPKHFHSA-N 451.552 1.432 30 10 JDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCS(=O)(=O)c1ccccc1 1748842026 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1760362132 BPZXKXUYACFFLO-ULQDDVLXSA-N 469.633 1.860 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SC)C1 1760450485 LUXSKCNLRPNEET-ROUUACIJSA-N 473.665 1.926 30 10 JDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1760513464 DOOJLLSCCVZFFA-HXUWFJFHSA-N 465.583 1.804 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H]1CCCCO1 1760523964 MAVFXCJYZRPPJJ-LJQANCHMSA-N 454.579 1.760 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@@H]3OC(=O)O[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760528703 KLXXPBJSBKPVKF-XUWVNRHRSA-N 476.534 1.465 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(C(=O)COC)CC2)cc1 1760529710 FPPHJGNYBCEIDL-UHFFFAOYSA-N 468.558 1.422 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1760556213 WZVFKIFBZGLPTO-CQGGRAHPSA-N 452.602 1.757 30 10 JDEE CN(C)[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)CCSC1 1768486751 FWGBNTKYLPFVPT-NRFANRHFSA-N 475.644 1.336 30 10 JDEE CNC(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1769319682 HCGPJQDHZKGSNZ-KRWDZBQOSA-N 495.563 1.934 30 10 JDEE CN1CCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)N=C2NS(=O)(=O)c3ccccc32)CC1 1869928044 ODEUGFDYVUCBAW-HXUWFJFHSA-N 451.552 1.592 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)Cn2cnc3c(nnn3Cc3ccccc3)c2=O)nc1C 1870103721 HTTXRXUUXQVFKS-UHFFFAOYSA-N 465.495 1.783 30 10 JDEE CC(=O)NCCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN1CCOCC1 1870324335 GOEYGDVCRPKWDW-UHFFFAOYSA-N 499.593 1.256 30 10 JDEE CCn1c(=O)c2cc(S(=O)(=O)N3CCN(c4ccc(C#N)cc4)CC3)ccc2n(CC)c1=O 1892044719 PAFYDGNQZRRHRZ-UHFFFAOYSA-N 467.551 1.586 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CO)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247881554 ADYOFBPWNJPBTF-LBPRGKRZSA-N 462.399 1.211 30 10 JDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCNOCc2ccccc2)OC1(C)C 2247905775 VNTGPJLJDHSRID-UHFFFAOYSA-N 453.395 1.583 30 10 JDEE CC1(C)OB(c2n[nH]cc2C(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)OC1(C)C 2255602021 MHWISJGDPYJVPU-KRWDZBQOSA-N 470.335 1.476 30 10 JDEE CC(C)(C)OC(=O)NCCOCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255950396 MPHSBEMUZGLPNE-UHFFFAOYSA-N 476.426 1.867 30 10 JDEE CC(C)(C)OC(=O)NCc1ocnc1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256611849 ALRIVOISVPFXTR-UHFFFAOYSA-N 451.314 1.524 30 10 JDEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C 2267011928 MQGZORIIBSFKGV-INIZCTEOSA-N 451.373 1.984 30 10 JDEE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C2)C1 2267145775 GXZLLCWYGFOESD-UHFFFAOYSA-N 466.369 1.568 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F 2267263828 KSDWAEWCPZJDHM-QWHCGFSZSA-N 453.324 1.192 30 10 JDEE C[C@H](CCN(C)C(=O)OC(C)(C)C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267420014 SPYSSHHKUYHURQ-CQSZACIVSA-N 472.417 1.643 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2267498633 VMSDIVXXBGYSKL-AWEZNQCLSA-N 450.345 1.085 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC2(C1)C[C@@H]2NC(=O)OCc1ccccc1 2267595369 DXLQDOLJFUFLGS-COYMHYPVSA-N 481.362 1.692 30 10 JDEE Cc1nc(S(=O)(=O)N(C)C2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2267728863 BAZSOAOMUDAVLC-UHFFFAOYSA-N 470.401 1.268 30 10 JDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCO1 2281977391 ORKRMRFVMHWHSR-HOCLYGCPSA-N 464.372 1.474 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)[C@@H]2COC[C@@H]21 2282044279 OOGAJBBTNQAUBD-BPUTZDHNSA-N 462.356 1.083 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@H]12 2282190402 QBTAOUIBAHXAFA-BMFZPTHFSA-N 460.340 1.140 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H]2CC[C@@]2(NC(=O)OC(C)(C)C)C1 2282344038 TXRJSBRGBGYMND-SPLOXXLWSA-N 482.412 1.397 30 10 JDEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282551454 DFYHHNNHRGFTRP-UXLLHSPISA-N 464.372 1.520 30 10 JDEE Cc1c(C(=O)NC[C@H](F)C2CN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282555891 ZWNVPMHUIUCXMP-HNNXBMFYSA-N 466.363 1.963 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]12CC[C@@H]1CN(C(=O)OC(C)(C)C)C2 2282699328 ISETVBUCOSCKDC-PEBXRYMYSA-N 461.372 1.491 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282868482 NZIFWCUZAVEFDG-YJBOKZPZSA-N 482.408 1.492 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282869275 ZZLGRGKSZGLTHH-WMLDXEAASA-N 483.396 1.199 30 10 JDEE CC(C)(C)OC(=O)NCCN1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1 2283062096 RFUCSDGVXUWAPC-UHFFFAOYSA-N 461.372 1.058 30 10 JDEE CC1(C)OB(c2cnc(C(=O)N[C@@]3(C(=O)O)CCN(Cc4ccccc4)C3)nc2)OC1(C)C 2284474842 PJTXUJWJSZSJCU-QHCPKHFHSA-N 452.320 1.235 30 10 JDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H](CCO)COCc2ccccc2)OC1(C)C 2343588479 MGHJMDLCAAAPGB-QGZVFWFLSA-N 482.433 1.830 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@H]2NC(=O)OC(C)(C)C 2359271771 XBIATXVWQIOWMF-ZQDZILKHSA-N 461.372 1.536 30 10 JDEE Cc1nc(S(=O)(=O)N[C@@H](CCO)COCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2369621200 KPGBZNWVVAKLNS-SFHVURJKSA-N 479.408 1.274 30 10 JDEE CC(C)OC[C@@H](O)Cn1c(N/N=C/c2ccc(C(C)C)cc2)nc2c1c(=O)n(C)c(=O)n2C 606630971 SOEDHMQSCQARNR-DAFNMPDCSA-N 456.547 1.789 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)c2cccc(F)c2)CC1 1286472063 QPECLFDVOVRWPF-KRWDZBQOSA-N 462.595 1.760 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1286495842 GSLXQRNOMBIWLX-CVEARBPZSA-N 482.607 1.837 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)OC)C1 1286505355 YBDCBRUPFPOPJV-MRXNPFEDSA-N 466.567 1.948 30 10 JDEE C#CCSCCn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1286513502 WKBRAQRKBGMIPU-XLIONFOSSA-N 456.634 1.700 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCSC1 1286552658 ACJIEYPSZHBPSI-OWSLCNJRSA-N 471.649 1.534 30 10 JDEE C=C(Cl)Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286631206 CRHAXZIYJKBJQI-UHFFFAOYSA-N 458.994 1.797 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1286700001 JQEHWALQVRTOKJ-DLBZAZTESA-N 470.596 1.292 30 10 JDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(=O)(=O)CC1CC1 1286717320 UGCAWRAGYYFVDG-UHFFFAOYSA-N 466.633 1.994 30 10 JDEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(CC(=O)NCCOC)CC1 1286774682 BPZALUFQWUYFQX-UHFFFAOYSA-N 491.637 1.463 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1286782101 KDELTYWTWGYNTL-UHFFFAOYSA-N 478.601 1.499 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](NC(C)=O)C2)cc1 1286794275 BLTNKFIGGXJGCU-LPHOPBHVSA-N 476.603 1.606 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1286816102 FMSBZCDWWORPPT-UHFFFAOYSA-N 462.576 1.856 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC(=O)N(C)C[C@H]1C 1286823762 QOTTYULZWNVDTP-GOSISDBHSA-N 461.588 1.742 30 10 JDEE CC(C)N1CCC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 1287973353 GSIDKWUBORIYGL-FQEVSTJZSA-N 451.575 1.754 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCNS(=O)(=O)CC 1300276772 QWTXUZADSXTZMI-ZDUSSCGKSA-N 457.398 1.833 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN(C)S(=O)(=O)CC 1300299714 SFVFOAPRRPVEEI-MRXNPFEDSA-N 481.648 1.368 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Cc1ccc(OC)cc1 1300306902 AAWLMAQLVRVDFU-WFXMLNOXSA-N 475.615 1.956 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@@]2(OC)CCOC2)c1 1300331238 GVFMCAVPMOACCU-LOSJGSFVSA-N 483.569 1.792 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1300409558 IRLSGPQTPSFMBE-NHCUHLMSSA-N 473.599 1.820 30 10 JDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1300495888 KLLVDZBRGXPZAB-XWFZLUIHSA-N 460.556 1.578 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1300502068 QNBXWYWPFGBUMG-FQEVSTJZSA-N 455.584 1.216 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300513553 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C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1301986237 DCRSVOXOOKHDCR-NUJGCVRESA-N 494.643 1.356 30 10 JDEE COC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1315137526 HPWSHPVXQGCEEZ-MRXNPFEDSA-N 476.578 1.943 30 10 JDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1315966554 FARZHPCCRAFSCV-KKSFZXQISA-N 462.576 1.074 30 10 JDEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)NC2CC2)C1 1316354763 DKQQDBZDZZIGQG-SFHVURJKSA-N 485.614 1.641 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCC(F)(F)F)cc1 1316533856 GNRLILGPPAIWSV-GOSISDBHSA-N 451.384 1.849 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCSc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358955368 KOSJMULHUWZDDP-KRWDZBQOSA-N 461.613 1.835 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1358960748 KXDVSXSGQUDEBQ-JLAWEPINSA-N 458.588 1.957 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCNC(=O)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1358965581 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C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1539211963 MBNIGLFTCZHCRI-KSFYIVLOSA-N 492.623 1.457 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCCC1(F)F)[C@H]1CCS(=O)(=O)C1 1539220805 LVONTSVSBSBGSL-PMPSAXMXSA-N 455.531 1.681 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1539238737 BOOKVHKDDNGCSA-RBBKRZOGSA-N 484.626 1.343 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCS(C)(=O)=O 1539259835 IHRPTOOKLYYDOP-UHFFFAOYSA-N 452.540 1.182 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)OC(C)(C)C 1539399243 HTDLPKVDIWSKKJ-UHFFFAOYSA-N 477.587 1.959 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1539427696 IAMVDSHFZKIEMR-IBGZPJMESA-N 450.591 1.801 30 10 JDEE C=C(Cn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1539770779 PBWVSXHDGUAYME-YKSBVNFPSA-N 455.559 1.983 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540862881 LMCBHOOUCAIZGH-HOTGVXAUSA-N 480.566 1.330 30 10 JDEE CC(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C)N1CCOCC1 1541310282 DIGQFXUFUGUWBS-SIKLNZKXSA-N 481.601 1.752 30 10 JDEE C#CCN(CC(=O)NCc1ccccc1OCC(=O)NC[C@H]1CCCO1)C(=O)OC(C)(C)C 1544313312 WIUMXCYZNIJCKY-LJQANCHMSA-N 459.543 1.847 30 10 JDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1552408770 GPIISOLIQJYRQU-IBGZPJMESA-N 476.603 1.919 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)N3CCC[C@H](CO)C3)c2)cc1 1556064118 WSMLMAALFXUBQH-KRWDZBQOSA-N 455.536 1.695 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(c2ccccc2F)C1 1587988804 BONFIMFURQLWKT-XLIONFOSSA-N 476.578 1.346 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1588024561 GWZLVYOBXAHYKV-VQTJNVASSA-N 476.647 1.261 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1588050624 UBKIXWYWUAMRTE-IPELMVKDSA-N 459.547 1.799 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccccc1COCC)[C@@H]1CCS(=O)(=O)C1 1588069894 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C#CCN(C(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)[C@H]1CCS(=O)(=O)C1 729330590 BJZBNMITEXYGNZ-IBGZPJMESA-N 452.598 1.902 30 10 JDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)[C@@H](C)Oc3ccccc3C#N)CC2)cc1 914678884 CPLLUVRYYUYMKD-GOSISDBHSA-N 499.545 1.604 30 10 JDEE CC(=O)Nc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)cc1 1084176575 YGEICSXTFCARRE-UHFFFAOYSA-N 471.547 1.746 30 10 JDEE O=C(CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])ccc2O)n1)Nc1ccc2c(c1)C(=O)NC2=O 1084277059 BDPRDFDNEUOYOM-UHFFFAOYSA-N 482.438 1.479 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1cc(C)oc1C 1286296483 PJXRTSAFLGQFFZ-XQAUZQBESA-N 465.576 1.186 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@](C)(O)c1ccccc1 1286297294 VOOSYHFIAZVRPS-JLMWRMLUSA-N 461.588 1.367 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CC(=O)N2CCOCC2)c1 1286310698 XVVDVMQAGHGPBB-UHFFFAOYSA-N 450.543 1.851 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCC1CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1286382600 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C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1286788053 PCNDMWCFFRKERC-QGZVFWFLSA-N 474.587 1.174 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(N(C)C)CCOCC1 1286960121 CLHFMAHIQSPKEH-GOSISDBHSA-N 489.646 1.902 30 10 JDEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1287121961 AROCYSNGXVMMDZ-SFHVURJKSA-N 458.588 1.850 30 10 JDEE CNC(=O)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1298914746 FLGRTVVLTSNCPW-UHFFFAOYSA-N 492.628 1.870 30 10 JDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1300455281 HKBDHHJIKABFGS-UHFFFAOYSA-N 454.556 1.883 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1300483958 PRNWNZDTZFWAIN-VGSWGCGISA-N 477.587 1.464 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)c(OC)c1 1300538171 OFYZKHKWKRLGOE-IBGZPJMESA-N 477.974 1.394 30 10 JDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1300766920 NVHQSXXUNBSICH-LJQANCHMSA-N 468.608 1.510 30 10 JDEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1301150047 LKQFLDKRNLIQGT-UHFFFAOYSA-N 456.595 1.262 30 10 JDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(CNS(C)(=O)=O)CC1 1301454089 IXLCGOXEWLXSHZ-UHFFFAOYSA-N 471.587 1.627 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)c1ccccc1 1301500136 JOUFYQKBKPOMCO-IEBWSBKVSA-N 476.603 1.153 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)C1 1301557636 QIEBAIZTIDWDRV-IVDHNXQLSA-N 483.635 1.596 30 10 JDEE CC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)CC1 1301663517 BATMPKHUSMSCIP-UHFFFAOYSA-N 451.575 1.844 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccccn3)n2CCNS(=O)(=O)c2ccccc2)C1 1302977825 CSLHJMYAMACIDT-NRFANRHFSA-N 455.519 1.684 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCC1CCN(CC(F)(F)F)CC1 1303865706 CZIOJNPAVDCIRM-GDBMZVCRSA-N 493.556 1.281 30 10 JDEE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCC(c3ccc(C#N)cc3)CC2)c1 1304192686 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KOCHDEMEMPLICP-WMZOPIPTSA-N 459.576 1.176 30 10 JDEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](C(=O)NC)C1 1359060008 HATLIGDVHWKJGY-QFIPXVFZSA-N 495.697 1.972 30 10 JDEE C=CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1359281665 GVAHLKXYPSQMPL-HXUWFJFHSA-N 456.515 1.336 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](CC(N)=O)C1 1359293219 KJHYPROJHXXCJC-CYBMUJFWSA-N 464.368 1.440 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1359332019 MSPYONPWQWEMHW-CVEARBPZSA-N 465.542 1.846 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1359361224 YWYCHQYNVHCAON-SGRLSNSRSA-N 457.579 1.698 30 10 JDEE Cc1cc(C(=O)N2CCOCC2)ccc1N(C)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1457505126 DLEYTAJJVYWGIV-UHFFFAOYSA-N 456.524 1.169 30 10 JDEE C#CCN1CCN(C(=O)CN2CCC(N3[C@H]4CC[C@H]3CN(C(=O)OC(C)(C)C)C4)CC2)CC1 1460779090 RDGVFCBSWNVPHO-VXKWHMMOSA-N 459.635 1.312 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1C[C@@]1(O)CCO[C@@H]1C 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1507884533 JTIRKYZJRFCCLL-LJQANCHMSA-N 473.599 1.852 30 10 JDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1507966663 ANXFCBMWUBHXKR-OALUTQOASA-N 453.609 1.769 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1507983820 SJMSHMVZHHIVCT-YLJYHZDGSA-N 490.630 1.810 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(c2nccnc2C)CC1 1508086126 LLVVPVXCBHUNHZ-UHFFFAOYSA-N 462.558 1.605 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@H]1C 1508088920 CSQXKLWHSPMWLI-HZPDHXFCSA-N 450.540 1.114 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2nccs2)C1 1508090818 IWGOIBNDGSDKIV-CQSZACIVSA-N 473.584 1.606 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2oncc2C1 1508160237 DCAHBOQORLTIJS-MRXNPFEDSA-N 454.578 1.081 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C[S@](C)=O)cc1 1508423609 IEGJODIECIMWIY-PDVHPOCTSA-N 494.643 1.134 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCS(=O)(=O)c1ccccc1 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C=CCS(=O)(=O)CCn1c(N2CCC3(CC2)CNC(=O)C3)nnc1[C@@]1(OC(C)C)CCOC1 1540907958 AFFCMJOYQIYJGT-JOCHJYFZSA-N 481.619 1.026 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1540908720 MGZATFXFDUEWRK-ROUUACIJSA-N 489.598 1.714 30 10 JDEE C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1541833232 BGOHSNAOIUYURC-QGZVFWFLSA-N 460.546 1.469 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)CC1 1542892935 ATEPUEGKFKYTKU-UHFFFAOYSA-N 458.518 1.380 30 10 JDEE Cc1cc(C)n(Cc2nnc(N3CCCN(c4ccccc4C#N)CC3)n2CC(=O)N(C)C)n1 1543059473 CKXPTWXIPZOTFH-UHFFFAOYSA-N 461.574 1.816 30 10 JDEE N#Cc1ccc(N2CCC3(CC2)CN(C(=O)CN2C(=O)CCC2=O)C[C@@H]3C(N)=O)cc1C(F)(F)F 1548375134 DDGSPSIDVZIFEY-QGZVFWFLSA-N 491.470 1.256 30 10 JDEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1587878595 BNOWTLXTYIDNBZ-IBGZPJMESA-N 484.988 1.812 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCSC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1588049999 OXOWOTHHLKWNJZ-LBPRGKRZSA-N 491.517 1.886 30 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C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)c2nccs2)CC1 1705645582 YCSMRVRXIKKWLX-LSDHHAIUSA-N 479.632 1.114 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)CC)CC1 1705699004 BEVOHIGFTGZQHP-AYBZRNKSSA-N 451.593 1.614 30 10 JDEE C=CCn1c(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)nnc1[C@]1(OCC)CCOC1 1705893414 HQIOZSSSFSEFMU-IBGZPJMESA-N 468.605 1.392 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705896810 YWZOSJBUJZTJNZ-GOSISDBHSA-N 496.572 1.288 30 10 JDEE CCN(C)C(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1709908619 CUPOPGDLEJKRGF-UHFFFAOYSA-N 475.601 1.812 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1722362957 XOECFLXFJMERNB-RDJZCZTQSA-N 485.536 1.190 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1722366690 JCDQBMIVLGPNBD-FUHWJXTLSA-N 458.588 1.580 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1722370258 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1740624356 FWMUFNBXCWMEBZ-GHTZIAJQSA-N 464.975 1.300 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1CCNC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1740625069 NOEZYCJZUWSWQQ-SFHVURJKSA-N 459.572 1.661 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1740690939 QQGNDHWSABUOQA-IAGOWNOFSA-N 464.567 1.250 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCSC2)CC1 1740703009 CWTOXFQTVFJMOJ-GOTSBHOMSA-N 477.631 1.153 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1740705057 BOIILKCLLMVVBC-WBVHZDCISA-N 473.578 1.108 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1740706745 BHAVTGHOPYRXFP-FQEVSTJZSA-N 477.569 1.131 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1740723029 MWFUPINXSGSYST-JLMWRMLUSA-N 460.604 1.854 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740843357 FOCXWYDCCGKXBO-QGZVFWFLSA-N 467.640 1.828 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1NC(=O)CC1(C)C 1740914499 GEDZZKCSSNVUEX-APWZRJJASA-N 485.614 1.867 30 10 JDEE C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1740943564 WFGRLGHUJWVGDB-OAHLLOKOSA-N 457.926 1.593 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1740953441 GMHQYOQWPFHLEK-IAGOWNOFSA-N 479.379 1.733 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(Cc2cscn2)CC1 1740962726 MOYDREGQGZPJCT-UHFFFAOYSA-N 458.617 1.715 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1740985005 AJEQYNPOPRTBHX-JOCHJYFZSA-N 496.033 1.854 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1740986922 KVWVUHRKQIYJBB-ROUUACIJSA-N 499.663 1.144 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1740994528 SDCDANXTWPSDGZ-UHFFFAOYSA-N 493.611 1.343 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC(=O)N1CCOCC1 1740995144 BJGVECFRNIWGSE-IEBWSBKVSA-N 483.635 1.093 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1748638673 UFIWOLRLIKHINN-QGZVFWFLSA-N 459.572 1.545 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(OCCC)cc1)[C@@H]1CCS(=O)(=O)C1 1748820647 GNLHOBPDFLALAQ-HXUWFJFHSA-N 485.610 1.864 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1748961262 ZJHIGTHWTXBMDP-UHFFFAOYSA-N 484.582 1.338 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCn2cc(CO)nn2)CC1 1748999051 GMYQFSZEKUBUKM-UHFFFAOYSA-N 470.965 1.440 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1COc2ccccc2O1 1749022060 DHETVUNCHHRSCG-JKSUJKDBSA-N 465.601 1.531 30 10 JDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1749095842 HFICAZHVAOMPNO-PMACEKPBSA-N 497.600 1.537 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncn(C)n1 1749529566 HRAKJRCUANUWGS-QGZVFWFLSA-N 457.560 1.558 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1 1749689754 JWDYXXDGIKITOM-SFHVURJKSA-N 454.531 1.313 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2sc(C)nc2C)C1 1749712983 OEFINLRRBLBZHV-SJORKVTESA-N 482.632 1.514 30 10 JDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)[C@H](C)C1=O 1750836385 APEGNWHAGZIPDT-GOSISDBHSA-N 479.585 1.792 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCCOC 1760117619 REPCRFULWVALKL-FXAWDEMLSA-N 477.587 1.142 30 10 JDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1760157551 SMFCUCLLUKRNRF-UHFFFAOYSA-N 485.618 1.106 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCCC1=O 1760173420 UYZZXGCSKHXPKM-UHFFFAOYSA-N 458.588 1.667 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OC1CCCC1 1760175593 NERHQLLFLPTAGZ-IBGZPJMESA-N 474.587 1.445 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)Oc2ccc(C)cc2)CC1 1760268987 UJYHHPPTOKFKLM-RXVVDRJESA-N 464.570 1.971 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C(=O)N(C)C)c1 1760464646 LZNBTYORSKIIHG-LJQANCHMSA-N 476.603 1.178 30 10 JDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760561083 PWHZYILBFLCTBN-INIZCTEOSA-N 478.644 1.782 30 10 JDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc(OC)c1OCC 1865730222 YSDDXWYQXIJYRW-KRWDZBQOSA-N 482.537 1.387 30 10 JDEE CC(C)(C)C(=O)N1CCN(c2ccc(C(=O)N[C@@H](CO)C(=O)Nc3ccccc3C#N)cc2)CC1 1866903535 YWGOHKMEOPZOSZ-QFIPXVFZSA-N 477.565 1.982 30 10 JDEE C=CCn1c(C(=O)N2CCN(C(=O)OCC)CC2)cc2c(NCCc3cnc[nH]3)ncnc21 1875230312 TVFXUJVPQXQCHL-UHFFFAOYSA-N 452.519 1.909 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268786471 PCAFDQGBPPZABT-UKRRQHHQSA-N 467.397 1.819 30 10 JDEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2281956121 UERSCGFZMAEFPW-HNNXBMFYSA-N 463.388 1.832 30 10 JDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@@](C)(NC(=O)C(F)(F)F)C3)cc2F)OC1(C)C 2282315962 VTFPGNPEGGGLSM-GOSISDBHSA-N 480.289 1.957 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(F)(CNC(=O)OC(C)(C)C)CC1 2282698504 CIHLKTWKJIVYSK-UHFFFAOYSA-N 467.351 1.583 30 10 JDEE C=C(CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)OCC)B1OC(C)(C)C(C)(C)O1 2282882292 JLVRIIBDZJXWIP-MRXNPFEDSA-N 488.412 1.988 30 10 JDEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H](COCc3ccccc3)CC(=O)O)c2)OC1(C)C 2284407799 PEQHIMXZZAISEG-GOSISDBHSA-N 476.360 1.719 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)CC1(O)CN(C(=O)OC(C)(C)C)C1 2287306965 WWSUINKCKZXPGV-UHFFFAOYSA-N 464.372 1.082 30 10 JDEE CN(CC(C)(C)N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)OC(C)(C)C 2288932460 XWALVQZTMNUJRZ-UHFFFAOYSA-N 487.432 1.380 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2315685487 WDWSHJBSOBHNLO-GXTWGEPZSA-N 453.370 1.400 30 10 JDEE COc1cccc(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Br)c1OC 2322659867 ZHROXBBDHYKOJK-LBPRGKRZSA-N 471.333 1.829 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2358276334 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C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(CCOCC)CC1)[C@@H]1CCS(=O)(=O)C1 1286383612 YGLPGSOFEJRFOK-GOSISDBHSA-N 463.604 1.348 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(O)(CCC)CCC)[C@@H]1CCS(=O)(=O)C1 1286391722 FSCVQFQOXLSVGO-QZTJIDSGSA-N 486.660 1.138 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCCC[C@H]2C)CC1 1286490385 SPHMQKLNXKELLB-LJQANCHMSA-N 452.607 1.909 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1286560903 KELMMYWTVIJTNT-IHPCNDPISA-N 478.619 1.690 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1286609138 XMNNEIVFIDTUBO-UXHICEINSA-N 493.634 1.550 30 10 JDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1286618466 BIVNGVHFMAAWFS-IBGZPJMESA-N 466.030 1.498 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1286779990 ADYWBOFNEJXQHS-OAHLLOKOSA-N 486.882 1.931 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286792853 KFCDDONOEPNINT-UHFFFAOYSA-N 485.564 1.043 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(=O)NCC(F)F)C1 1286809794 VQAHVQXNFRXABB-AWEZNQCLSA-N 473.484 1.355 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCSC(C)C)C1 1286810745 VHCRPKNWMLGHEK-IAGOWNOFSA-N 459.638 1.534 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CC(F)(F)C1 1286820015 BUIUKJFMOUATKS-AWEZNQCLSA-N 452.549 1.263 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccco1 1286820191 GUFWPHDBDKZFLZ-FUHWJXTLSA-N 499.615 1.146 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC(=O)N(C)C[C@@H]1C 1286821286 GFLLZYPSCGULGM-AWEZNQCLSA-N 453.515 1.415 30 10 JDEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286825475 LLLHYTUPIPLMFY-HOTGVXAUSA-N 474.562 1.623 30 10 JDEE Cc1nn(C)c(C)c1CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CC1 1290563040 HOGYFWQDQYNZDC-UHFFFAOYSA-N 461.574 1.578 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1300479677 RJUZQTUCYSQHAC-FQEVSTJZSA-N 470.599 1.255 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1300482754 GVZXUNMEQWSBNZ-RBUKOAKNSA-N 483.598 1.838 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300483922 PKAYGPLJHZIYNT-ZJSXRUAMSA-N 487.626 1.693 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1300499430 RQOWYRRSWREJMJ-GOSISDBHSA-N 463.991 1.674 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1300505449 AFGSECVGXWJVCE-RBUKOAKNSA-N 457.556 1.164 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(CC)CC)nc1 1300579519 WNAMAOAXKBBRJA-FQEVSTJZSA-N 454.600 1.933 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2oc3ccccc3c2C)CC1 1300712417 RSBWSPUYPBHDCE-KRWDZBQOSA-N 498.609 1.957 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC2(C(N)=O)CCOCC2)CC1 1300729294 UMUBELFQVUEDEZ-UHFFFAOYSA-N 470.599 1.178 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC(C)C)C1 1300761682 DOAOYCAKSVNVSA-QZTJIDSGSA-N 455.650 1.850 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300886279 WXAIAWQONMPPOS-MANSERQUSA-N 453.609 1.971 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1300928593 ICNFYNZZZSBVMR-HNNXBMFYSA-N 450.540 1.566 30 10 JDEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)c1ccccc1 1301009136 HELGHAOEYDVJIY-MOPGFXCFSA-N 464.613 1.907 30 10 JDEE C=C(Cl)Cn1c(N2CCC(NS(=O)(=O)CC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301061691 XFHUIIDMERLYEE-IBGZPJMESA-N 462.016 1.979 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1301151406 MTZUIHMFUYIWLK-GOSISDBHSA-N 480.635 1.357 30 10 JDEE COCc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1301173136 DJLWMIWBVKOOHY-OFNKIYASSA-N 488.614 1.936 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1301480996 HNAKFQUBJXMOSQ-FQEVSTJZSA-N 453.591 1.332 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1301506760 RPTZHTXVAVSUBZ-UHFFFAOYSA-N 462.514 1.801 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1301529606 NKFPIRLGVLTGPI-WMZOPIPTSA-N 474.587 1.312 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1301568259 QBYQUSDWFCVYFR-OAHLLOKOSA-N 479.525 1.663 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1301584758 DDNCEEMRMWMLLB-QGZVFWFLSA-N 482.632 1.015 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1301586180 QPFDPLYYJLPCCR-OAHLLOKOSA-N 495.993 1.321 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCc2ccccc21 1301589512 UDPMONYZRDJJKJ-MJGOQNOKSA-N 464.613 1.905 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)CCO1 1301910432 DVLMZCRXIJNTJU-JOCHJYFZSA-N 497.600 1.181 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)ncn3-c2cc(C)ccc2C)CC1 1302925270 ZZTCJZWSOYDIEG-UHFFFAOYSA-N 451.552 1.868 30 10 JDEE CC(C)N(CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)C(C)C 1305119717 BJGIBUKQRHKXSG-RTBURBONSA-N 480.621 1.725 30 10 JDEE C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)CC1 1307649631 GRARONRJLAAEGF-SFHVURJKSA-N 458.584 1.281 30 10 JDEE CN1CCC(CNC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)(N2CCOCC2)CC1 1312478847 CBJFHCGBEBXXMY-UHFFFAOYSA-N 451.575 1.555 30 10 JDEE C#C[C@@H]1COCCN1C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1312638405 YAESKPDGEMQADH-JKSUJKDBSA-N 456.362 1.646 30 10 JDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cccs2)CC1 1315054527 FWYSDFAGLGTEHI-UHFFFAOYSA-N 464.555 1.770 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2CC[S@](=O)CC)c1 1358902481 PHKOMVSSHCHDKS-UUWRZZSWSA-N 482.566 1.831 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1358966163 JBJKGVYRYWAYBS-UXHICEINSA-N 460.604 1.726 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 1359035665 AOTUQCKKDPMDAM-XZOQPEGZSA-N 484.670 1.801 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2nccc(C(F)(F)F)n2)CC1 1359043937 OLWHSZRKEUUCHU-UHFFFAOYSA-N 487.490 1.696 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1359055837 QQHSYQLBJKWAIG-AQNXPRMDSA-N 487.674 1.222 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359292134 IQZFXUZITBAEKI-CABCVRRESA-N 451.524 1.483 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1(c2ccccc2)CC1 1359332693 DSIZEFIDZOKVIL-GOSISDBHSA-N 478.640 1.949 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](C(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1359335424 LEYGNVATLSVWJJ-YOEHRIQHSA-N 468.498 1.299 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2C)CC1 1502435561 HCPURBSMVVPOQS-TZIWHRDSSA-N 481.601 1.659 30 10 JDEE COCC[C@](C)(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1504748333 DJYSRNAPAWTIDJ-LEWJYISDSA-N 480.566 1.425 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1507627635 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C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)CCN1S(C)(=O)=O 1520761019 HTPMNXHBGYHKQB-HNNXBMFYSA-N 474.978 1.837 30 10 JDEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1539191016 YULBSRFBJXWNAZ-NRFANRHFSA-N 466.991 1.871 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539202339 GWSHPVBDADSJQU-SJLPKXTDSA-N 471.587 1.035 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1539203477 QRKMASUCLPIYOG-OAHLLOKOSA-N 462.601 1.694 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1539220435 SHABJKDQKPLLHJ-QGZVFWFLSA-N 491.564 1.833 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1snnc1C 1539245919 LXSUUFZZPMDUFU-UHFFFAOYSA-N 455.569 1.476 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCS(C)(=O)=O)CC1 1539470152 YJTKMZUDUWABGU-QGZVFWFLSA-N 491.589 1.958 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)NC2CCCCC2)CC1 1539470196 ZAJHMULXMDHASG-VWLOTQADSA-N 486.617 1.345 30 10 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C=CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC)C(=O)OCC 1638326286 NTWJDKYXTWOVSA-GOSISDBHSA-N 453.561 1.259 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1649544108 VLCBJJTYWJZTAX-QHCPKHFHSA-N 486.598 1.627 30 10 JDEE C#C[C@H](NC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1)[C@H]1CCCO1 1680313819 AUUDWNHFCURWQV-ZWKOTPCHSA-N 450.333 1.863 30 10 JDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCN(C)CC(F)(F)F)CC1 1690128338 AVWDOUWFFPLRQL-UHFFFAOYSA-N 460.508 1.766 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CC2(S(C)(=O)=O)CC2)CC1 1690133906 YIROQNOLNARXCZ-UHFFFAOYSA-N 457.600 1.752 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2Cc3ccccc3O2)CC1 1690138247 WTVGUYIYMBJVAQ-GHTZIAJQSA-N 467.570 1.972 30 10 JDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1690228900 IEHSQTVJMXTZEO-LSDHHAIUSA-N 460.398 1.695 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1690667174 SLEMZZOAFXQBJB-DYESRHJHSA-N 486.020 1.890 30 10 JDEE 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481.597 1.981 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1286601155 HUJRVBIDMGAPAZ-IBGZPJMESA-N 456.547 1.691 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cc(Br)cn1 1286727751 YVEURKCQICVUDE-OAHLLOKOSA-N 488.412 1.283 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C(C)C)N1CCCC1)C1CC1 1286738355 TYDSPFYLKXVMCN-WOJBJXKFSA-N 466.652 1.886 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC2(CCC2)C[C@H]1CC 1286816935 IZKCVRQOTUUQEE-HZPDHXFCSA-N 459.638 1.648 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(F)cc(F)c2C1 1286820442 LPHZTDUTLYDQQZ-HNNXBMFYSA-N 486.566 1.622 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)C2CCN(S(=O)(=O)CC)CC2)cc1 1298839773 VCQQYPUZVDVPQI-MRXNPFEDSA-N 455.602 1.120 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1300485156 XWFOKAGOFPYXLE-KDOFPFPSSA-N 470.393 1.823 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CSC)cc1)[C@@H]1CCS(=O)(=O)C1 1300492218 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C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2noc(CC)n2)CC1 1359033336 YOVSMGOZIDWGJB-UHFFFAOYSA-N 451.531 1.906 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(C)no2)C1 1359090772 GDAHBFZVRSOIEP-RANZSIQMSA-N 479.607 1.945 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC(C)CC1 1359113844 RPZGHLONXBKUGR-LJQANCHMSA-N 454.641 1.745 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1359240855 YRMMEFRHOWLMNT-HOCLYGCPSA-N 466.633 1.863 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1359302500 JJLBRCOKJWZYHG-XMMPIXPASA-N 454.575 1.481 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1359303284 JBOCHSHYCFIZSH-GOTSBHOMSA-N 494.688 1.864 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H]2c2cnn(C)c2)nnc1[C@@]1(OCC)CCOC1 1359335671 RDKJVEFWDVIYMQ-WIYYLYMNSA-N 464.592 1.606 30 10 JDEE CC(=O)N[C@@H](C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)c1cccc(Br)c1 1435909861 BUBDRRVUJKDCRA-GOSISDBHSA-N 459.348 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474.583 1.686 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1507640385 RFNHWEZZQPBKDS-WMZHIEFXSA-N 474.583 1.332 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CCCn1cc(CO)nn1 1507644327 FNSIQMSYRFVVPK-UHFFFAOYSA-N 484.358 1.963 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSc2ccccc21 1507689949 NWYZLAGVVISTBY-WMZOPIPTSA-N 461.613 1.960 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)N2CCOCC2)CC1 1507736059 KMQAYLWACXVSFU-VWLOTQADSA-N 488.633 1.007 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2CCN(C(=O)OC)CC2)CC1 1507738284 LJOBPRJJONFVBP-UHFFFAOYSA-N 466.546 1.179 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2nncn2CC)CC1 1507741712 ZEIWWSGQXFIMMP-UYAOXDASSA-N 468.606 1.822 30 10 JDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1507756162 KRQOCOWYZLENMN-GOSISDBHSA-N 453.616 1.419 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CC2)CC1 1507802270 ANMFZTMLBFZQGK-QRQLOZEOSA-N 452.625 1.402 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1507845004 VDRZEDNVYJYZME-OOSNJVJTSA-N 454.593 1.546 30 10 JDEE CC(C)(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1508435648 FQZFXOHGUZMLAM-UHFFFAOYSA-N 465.558 1.370 30 10 JDEE C[C@@](O)(Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1510238955 AJJPWDSUHAXRBY-VGOFRKELSA-N 452.540 1.906 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NC(=O)COC)CC1 1539101654 DVLOYEGHXRDFFK-UHFFFAOYSA-N 459.572 1.493 30 10 JDEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539108716 CFPCLOQMXKVXIS-HXUWFJFHSA-N 464.570 1.930 30 10 JDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1539124086 BWUHHBDSYUYBEA-DLBZAZTESA-N 460.535 1.641 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1539225080 LOGTVMDSPNEWTH-FQEVSTJZSA-N 468.583 1.736 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc2c(s1)C[C@H](C)CC2 1539295937 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1690114827 IKYSKKBRVLGHAO-LJQANCHMSA-N 463.007 1.778 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2C[C@@H]2C)CC1 1690139586 STPRMTIAZNJFFR-PXNSSMCTSA-N 484.626 1.817 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)NC(C)(C)C 1690235769 DMVQPGOFBJWHTL-INMHGKMJSA-N 456.613 1.220 30 10 JDEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)c1ccccc1 1690324077 IAJXFQGNKNESBT-QZTJIDSGSA-N 450.586 1.517 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)c2ccsc2)CC1 1690411212 HUWBBWGEPMOPRO-WIYYLYMNSA-N 481.644 1.983 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCOCC1 1690574304 VSDLIRXEAXHLQS-HNNXBMFYSA-N 455.606 1.684 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690644392 INFVFMVGFRUPOW-CVEARBPZSA-N 455.581 1.786 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1690644547 RTJXNXJREXJNKH-ZWKOTPCHSA-N 496.659 1.368 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC3(C2)OCCO3)C1 1690686063 IUPDVRSWEJLIJW-BRWVUGGUSA-N 455.581 1.213 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](CC)N2CCCC2)C1 1690699148 ABXLRLSHVDQZTO-AQNXPRMDSA-N 482.651 1.267 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@]2(CCOC2)C1 1690719513 NXOAPEOOOREUIG-IBGZPJMESA-N 453.952 1.590 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1690726737 JYQLGRCGDXCHGK-MSOLQXFVSA-N 467.617 1.619 30 10 JDEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCS(C)(=O)=O)C[C@H]2C)CC1 1690863676 IEBYYFOQSNEVAX-GCJKJVERSA-N 499.641 1.240 30 10 JDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)[C@H](C)C1=O 1692423592 GKBFCYJBXJHSFN-HXOBKFHXSA-N 486.598 1.059 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OC)c(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1705565678 JAXCBBPUFZRSII-KRWDZBQOSA-N 485.566 1.974 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cn(CCCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1705566848 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C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(S(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1722359281 KHCBCIBFESWHPJ-OAHLLOKOSA-N 452.558 1.050 30 10 JDEE C#CCN(c1nnc(C)n1Cc1ccc(I)cc1)[C@@H]1CCS(=O)(=O)C1 1722363517 GFKZAGGQNWYLDW-MRXNPFEDSA-N 470.336 1.866 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1722363588 GOKLHVQDFXBSPW-PGRDOPGGSA-N 462.572 1.895 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OC)c(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1722370490 NXWVERIUTUGQBK-IEBWSBKVSA-N 490.582 1.830 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CCNC(=O)Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1722370586 CPXQRWRPVJIZRI-HXUWFJFHSA-N 473.574 1.355 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(OC)OC)c2)CC1 1722441823 VHTAGBCIAMODCZ-UHFFFAOYSA-N 494.596 1.820 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN2CCCCC2)C1 1722459493 LGBORXPWBSYZGQ-MOPGFXCFSA-N 451.662 1.859 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2C)CC1 1722523151 DBIKPKHRSJQEIB-HXUWFJFHSA-N 460.604 1.822 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)cc1 1722702094 DEPGITHMYKONNZ-KRWDZBQOSA-N 461.588 1.997 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1722712218 NBESEBDKEXVSLT-QGZVFWFLSA-N 477.616 1.808 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(=O)NC)CC1 1722727159 IZWIBTXZHOJTOT-UHFFFAOYSA-N 485.570 1.662 30 10 JDEE C=CCSCCn1c(-c2cnccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722737452 HGWQAYUUFGSSPR-YLJYHZDGSA-N 456.620 1.643 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1cccc(-n2cncn2)c1 1723926891 FCSPZWABTWXODW-INIZCTEOSA-N 469.575 1.647 30 10 JDEE CCC(O)(CC)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1727283612 HMSCJLLMNXQOCW-INIZCTEOSA-N 455.567 1.344 30 10 JDEE CCC(O)(CC)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1727283613 HMSCJLLMNXQOCW-MRXNPFEDSA-N 455.567 1.344 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1740567515 SJJKELQMVUWQGN-RBUKOAKNSA-N 463.608 1.411 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCC[C@]3(CCOC3)O2)CC1 1740702240 KAMBQYTZJIQMMO-PIBDYAPNSA-N 489.617 1.696 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccn(CC)c2=O)CC1 1740705718 LNVABYPKHUIUOQ-FQEVSTJZSA-N 452.559 1.715 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOC(C)(C)C1 1740761592 OOGDJLRRBUDYMF-UFYCRDLUSA-N 481.663 1.708 30 10 JDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2nc(C3CC3)no2)CC1 1740942987 XWZANAHDESIHRS-UONOGXRCSA-N 450.569 1.218 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC(=O)N(C)C[C@H]1C 1740986606 BYSKTJPREDYIEL-HZPDHXFCSA-N 465.551 1.825 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740993280 VZHKCBXSIMIPOO-AEFFLSMTSA-N 463.535 1.544 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C1CCCCC1)N(C)C 1741943738 HWGIRNGEURZSLH-SZMVWBNQSA-N 453.613 1.128 30 10 JDEE C[C@@H]1CCCC[C@@H]1OCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1743042712 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1749019201 OTEXUSUEZVDJDJ-UHFFFAOYSA-N 470.549 1.734 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1749130267 KAMHDDNELQJNRB-YRXWBPOGSA-N 481.619 1.876 30 10 JDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1749252575 SKVCAJYBDOTGNH-HZPDHXFCSA-N 488.058 1.210 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749652661 QPKWDCCLZGVIFI-HNAYVOBHSA-N 476.965 1.715 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1749655053 BQYGVZPKJZWALY-MRXNPFEDSA-N 493.586 1.287 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1749655964 VMKGXLGDPLRJGK-OAHLLOKOSA-N 475.351 1.440 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCn3cc(C)nc32)C1 1749697674 MEGPBCCDGSMVPT-RCCFBDPRSA-N 463.608 1.752 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CCC2)CCO1 1750013001 FHDPKAGBWPUQLU-AYLZSAKASA-N 456.572 1.459 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1760191465 HSGRYAAJVOEUKP-XMSQKQJNSA-N 494.017 1.204 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN(C(C)=O)C1 1760203925 VRDDZQSMOMLQGQ-SFTDATJTSA-N 484.601 1.918 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1760248428 LMBXWKWLAJOXQS-ZWKOTPCHSA-N 460.579 1.962 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1760257234 RITQYQCBDLKJHH-WOJBJXKFSA-N 484.576 1.807 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1760258744 RFABDAJYPCLPNH-LNVKXUELSA-N 461.526 1.235 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1760346251 PMXZUKLHLTVTES-LJQANCHMSA-N 476.603 1.879 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(C2CC2)C(=O)C1 1760518206 MDPCGAGVBPEUOC-UHFFFAOYSA-N 489.374 1.829 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1760527137 ZOLLCULYMWUPCZ-OAQYLSRUSA-N 479.585 1.580 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1760556937 UNYPMWVUJQNLFF-SFHVURJKSA-N 476.534 1.878 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)CC1 1760620798 SNHWXACVEWPDMZ-QHCPKHFHSA-N 492.628 1.722 30 10 JDEE CCCCN1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1764144576 HGFZRPZHBATNRP-KSZLIROESA-N 453.613 1.272 30 10 JDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1766686743 DUJDAKOREMOZKN-GOSISDBHSA-N 457.560 1.292 30 10 JDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1768437918 HTRSZEYUXDLHJT-UHFFFAOYSA-N 492.628 1.820 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)NC2CCCCC2)C1 1771529059 HSUQBNFAECXJBE-YWZLYKJASA-N 452.556 1.461 30 10 JDEE CCOc1cc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Br)ccc1O 1873526891 BLPUWBULFNIKGJ-OZOTYFBYSA-N 471.333 1.916 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H](CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(F)F 2256627716 XNIHCIKKPMIVQF-SNVBAGLBSA-N 462.328 1.994 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256669465 PPTUCNKHDPRCOB-NSHDSACASA-N 454.358 1.540 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2266984446 VGJBPTLVURGDJO-UHFFFAOYSA-N 450.316 1.837 30 10 JDEE CC(C)N(CCCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)OC(C)(C)C 2267270484 LUTGSDQXGNPGPK-UHFFFAOYSA-N 451.377 1.880 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2C=CCN(C(=O)OC(C)(C)C)C2)n1 2267464547 ITKPKQOGRACMQT-AWEZNQCLSA-N 468.385 1.173 30 10 JDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H]2CNCCN2Cc2ccccc2)OC1(C)C 2267717728 IELKZNLGRREACW-SFHVURJKSA-N 477.461 1.800 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267722874 ZPUVDMLCGPCCBO-CQSZACIVSA-N 488.437 1.962 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2281959948 SDWVCSULMVAMOT-OAHLLOKOSA-N 464.372 1.568 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 2282350913 UDVUDTNNJVZHRB-HOTGVXAUSA-N 484.428 1.834 30 10 JDEE CC1(C)OB(c2cnccc2C(=O)NCCN2CCN(Cc3ccccc3)CC2)OC1(C)C 2282529963 NPKIXIRYHAJLIX-UHFFFAOYSA-N 450.392 1.928 30 10 JDEE Cn1ncc(C(=O)NCCO[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282573253 XQHAHZUGXNYXQP-OAHLLOKOSA-N 464.372 1.475 30 10 JDEE CC1(C)OB(c2n[nH]cc2C(=O)N2CCC[C@H]3CC[C@]32CNC(=O)C(F)(F)F)OC1(C)C 2282582827 BJWBLJWEYKISCL-BUXKBTBVSA-N 456.274 1.772 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@@H]2[C@@H]1CO 2282614975 LWPNYWHLQSRWLQ-ZVZYQTTQSA-N 461.368 1.614 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C 2282839999 CAFRBQYAFKFCLB-QFIPXVFZSA-N 484.424 1.848 30 10 JDEE CC(C)(C)OC(=O)NCCOCCNS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282844800 IZUKMBZELSEPGS-UHFFFAOYSA-N 488.387 1.945 30 10 JDEE C[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H]1CCN(Cc2ccccc2)C1 2282864267 CXSGKKXHTIOJFW-PKOBYXMFSA-N 474.436 1.908 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283055678 IQWRXPNKHOBNKK-OAHLLOKOSA-N 462.356 1.389 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1CO 2337343416 QZUKHHWGKUSBAN-ZFWWWQNUSA-N 467.397 1.790 30 10 JDEE COc1cccc(/C(C)=N/Nc2nc(Sc3nc4c(c(=O)n(C)c(=O)n4C)n3C)n[nH]2)c1 21083632 ZHWWWWKQBLBYKM-LSHDLFTRSA-N 455.504 1.085 30 10 JDEE CN(CCC#N)C(=O)CCn1cnc(I)c1I 306046365 OGYOPCMHAHGOFK-UHFFFAOYSA-N 458.041 1.854 30 10 JDEE C#CCN(C(=O)CCNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C)[C@H]1CCS(=O)(=O)C1 729330705 DAORYDANOXNSRZ-IBGZPJMESA-N 454.614 1.546 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(Cc3ccccc3)c2)c(=O)n1C[C@@H]1CCCO1 731232719 HJMDPEUNEBOHMX-FQEVSTJZSA-N 475.574 1.139 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1N1CCOCC1 1286298782 PCGDMKVEUSOOFH-DLBZAZTESA-N 461.563 1.662 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1286384799 SIKZRLBUIJLVEG-RBUKOAKNSA-N 492.623 1.544 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1286385527 NQPNDDKTIJEYCC-FUHWJXTLSA-N 498.602 1.619 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1286387327 CRKPWYNMZZUSNQ-FXAWDEMLSA-N 468.583 1.748 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)N1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1286389055 DVPYBRMNNHJVIB-SFHVURJKSA-N 487.630 1.251 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1286420022 KIMQLECPEINECH-HTAPYJJXSA-N 460.531 1.570 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC(C)C 1286433200 NIFQDFNMUXFZFJ-KDURUIRLSA-N 492.646 1.840 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1S(C)(=O)=O 1286461872 YZSHMQAZIKUCIS-HXUWFJFHSA-N 488.589 1.603 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCC1 1286465760 AHTXTVGXBCFKDV-LJQANCHMSA-N 462.595 1.768 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCn2cc(C)cn2)CC1 1286473080 HRAFLIANRNYWSN-UHFFFAOYSA-N 453.572 1.309 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ccc(C)n(C)c2=O)CC1 1286474084 ZWEUBEMWLDXDJZ-UHFFFAOYSA-N 492.580 1.782 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1286484936 QZCGVYNRXJQQSI-HXUWFJFHSA-N 472.615 1.202 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1286493440 VITGQKFXHWNOCQ-UHFFFAOYSA-N 476.578 1.074 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCC(=O)NCc2ccccc2)CC1 1286495035 XGKDAUHOZRZHLA-OAQYLSRUSA-N 464.570 1.454 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCNC(=O)C1 1286549932 BKSZGKUTBSYHMJ-FOIQADDNSA-N 457.531 1.888 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCOCC2)C1 1286796732 VKFGGDUILHXRJU-SFHVURJKSA-N 491.614 1.887 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1286823245 SCMDDIBKIBWCOE-QHCPKHFHSA-N 476.599 1.668 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccccc1CN1CCCC1=O 1288771412 BXSHAENYQWAPAX-IAGOWNOFSA-N 473.603 1.797 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)SC)c1 1300334240 IZUPLZSBLVWBMI-WBVHZDCISA-N 461.613 1.988 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1300339346 MNSRZVMPUYRMGG-QGZVFWFLSA-N 476.578 1.793 30 10 JDEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1300384125 LVVQBJSZTJXYIY-KRWDZBQOSA-N 467.509 1.306 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300488149 OXUXRGVHKKHNDN-TZIWHRDSSA-N 472.615 1.324 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1300505853 JOSPPIBMOUYXJH-HBMCJLEFSA-N 458.584 1.986 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCCN2CCC)CC1 1300719866 TWEWUHXRIXNZRI-HXUWFJFHSA-N 450.591 1.965 30 10 JDEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(CCOC)C(=O)C1 1300768627 VFFYPNHPIXYSSF-UHFFFAOYSA-N 452.584 1.943 30 10 JDEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1301087273 ZMTLDVBFHXSLAE-HTAPYJJXSA-N 497.618 1.293 30 10 JDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1301531639 RXNNCBHEPMGTKW-GOSISDBHSA-N 459.572 1.637 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2cccc(OC)c2)C1 1301534805 FCGLEQBDLSJOMR-FQEVSTJZSA-N 468.558 1.734 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1301577529 KXBBZWHJNOIEFC-GOSISDBHSA-N 460.604 1.930 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1301589857 YVNSHBCWIRHKPW-UXHICEINSA-N 467.636 1.669 30 10 JDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1301605971 GBGZNFOZHGZETP-UHFFFAOYSA-N 453.576 1.418 30 10 JDEE CC(=O)Nc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cc1 1301787688 HGTXBEIVOVGUFU-DNVCBOLYSA-N 475.575 1.214 30 10 JDEE CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)ccc1OC 1310361125 ANBUIUXYRSLOPF-SFHVURJKSA-N 456.503 1.753 30 10 JDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1314700624 FPNAZSCQPPLATN-GUDVDZBRSA-N 459.572 1.903 30 10 JDEE COc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)cc1F 1315468150 HAVVXYOXPZPKEQ-RXVVDRJESA-N 496.540 1.443 30 10 JDEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccc(Cl)cc2)CCO1 1316539076 BLUDTGBWHZJZGR-YOEHRIQHSA-N 451.936 1.641 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358957183 QSQODIMJULYYMS-WSTZPKSXSA-N 493.655 1.709 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccnc(SCC)c1)[C@H]1CCS(=O)(=O)C1 1358960975 PKGKVNSKYOKDKK-SFHVURJKSA-N 471.612 1.861 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358966571 ROSUFXKIYCLMRX-NBCNXNJRSA-N 462.620 1.564 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1358966846 XVYWTOZCDLRENN-GPJFCIFZSA-N 477.631 1.623 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCN2CCOCC2)CC1 1359033198 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GMAQCQQWDOUQCX-SJORKVTESA-N 455.581 1.488 30 10 JDEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1508050181 RIRYBAHGQWWCEG-UHFFFAOYSA-N 464.368 1.405 30 10 JDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(NC(=O)COC)CC1 1508050959 FEQQWVINYYRLOL-UHFFFAOYSA-N 461.592 1.464 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1508138894 AHBFOVHLJSIQHF-QGZVFWFLSA-N 479.607 1.773 30 10 JDEE CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCS(C)(=O)=O)C[C@H]2C)CC1 1508231712 IABOJYLVRWHBRW-GCJKJVERSA-N 499.641 1.240 30 10 JDEE Cc1c(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cnn1C 1510499515 FHCDZAUHKTYKNS-HNNXBMFYSA-N 454.560 1.377 30 10 JDEE CCN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2C#N)CC1 1515272429 CTVRIZRBZAOLKO-UHFFFAOYSA-N 450.547 1.191 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1 1517123373 CLJYMASQYIQNDB-UGKGYDQZSA-N 474.587 1.280 30 10 JDEE COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1519113014 BBDVMCLSYOGMAW-LJQANCHMSA-N 452.563 1.006 30 10 JDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1539084732 BSHLKVXOAVTSDJ-CTNGQTDRSA-N 455.607 1.306 30 10 JDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCN(CCN(C)C)CC1 1539179541 PLUUYACDVOQAAO-OAQYLSRUSA-N 489.665 1.930 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1539230152 KTIMMPKTWQUWMG-SFHVURJKSA-N 450.634 1.908 30 10 JDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2c(CC)nn(C)c2OC)CC1 1539454393 MOMGLICNIQUMKZ-UHFFFAOYSA-N 454.604 1.742 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C[S@](C)=O)cc1 1539538700 LURINWGMRFYVEL-UZVQOGFPSA-N 463.629 1.807 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NCCOC)CC1 1539633326 YNNFFVQCSHCVDB-SJBKTWHCSA-N 476.622 1.038 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C(=O)NC)c1 1539668715 CRHTTXSPUBCIOW-FQEVSTJZSA-N 490.630 1.616 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)Cc1ccc2c(c1)OCO2 1540858239 NUQZJUGTMFPQKG-IBGZPJMESA-N 479.559 1.179 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1540871261 HSZFJGICVXZKET-INIZCTEOSA-N 475.571 1.062 30 10 JDEE C=CCOc1ccc(Cn2c(C)nnc2N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 1540877568 ZDRHADHFPVKAJB-OAQYLSRUSA-N 461.588 1.830 30 10 JDEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1540916495 CILOGWNVFFJIBJ-IAGOWNOFSA-N 493.634 1.720 30 10 JDEE CCc1nn(C)c(CC)c1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1546390840 GFAVLLFDLBJLAD-HNAYVOBHSA-N 478.623 1.256 30 10 JDEE CO[C@@H]1COCC[C@@H]1Cn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1C(C)(C)C 1555197347 FNQUQTDYQXINJE-IEBWSBKVSA-N 456.595 1.867 30 10 JDEE Cc1c(NC(=O)CSCC(=O)N2CCN(CCC#N)CC2)c(=O)n(-c2ccccc2)n1C 1557980641 HRKXCPWRCRGFHE-UHFFFAOYSA-N 456.572 1.214 30 10 JDEE CS(=O)(=O)CCn1cccc(NC(=O)COc2ccc(C#N)c(Br)c2)c1=O 1583977597 CFUWEOSTSDCCDU-UHFFFAOYSA-N 454.302 1.545 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(NC(C)=O)c1)[C@@H]1CCS(=O)(=O)C1 1588053936 IXTOEEQGBRDENV-TZIWHRDSSA-N 471.583 1.806 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCS(=O)(=O)N1CCSCC1 1588099363 LUKBKAPFTMGMBH-UHFFFAOYSA-N 489.623 1.414 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1c(C)noc1C 1588233498 JOPHXRLBZFSWRN-LPHOPBHVSA-N 474.587 1.482 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCCC[C@H]1C 1588384843 CPPRBIGATRYOHD-WOJBJXKFSA-N 466.652 1.725 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(C)=O 1588647285 TYEGGBDIJXGLGZ-GOSISDBHSA-N 464.567 1.199 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1588968798 QICKHPGIYPPTQB-KRWDZBQOSA-N 465.587 1.257 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2c(CC)noc2C)CC1 1588969163 WCSJAJHXQZUTSS-RXVVDRJESA-N 470.574 1.875 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1594732999 KXFCXMCAWRQIHD-GOSISDBHSA-N 452.625 1.137 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1595658750 JLZSBSIARVFDBM-RTBURBONSA-N 494.639 1.807 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O 1595789529 VONDWXBXCAEKHF-OAHLLOKOSA-N 465.601 1.897 30 10 JDEE C#C[C@@H]1COCCN1CC(=O)NCCN1C(=O)S/C(=C\c2ccc(OC)c(OC)c2)C1=O 1618446475 NLWNILPBTPFIKA-BKAYVGFPSA-N 459.524 1.190 30 10 JDEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](O)C(=O)OC)c1 1632071825 DBVAKOCTDPNVCH-SFHVURJKSA-N 452.916 1.985 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1nc(C)cs1 1689853070 OPYDQOWTKTZXLE-VNQPRFMTSA-N 452.606 1.638 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1689981975 FIOBKOZCBTVAOJ-AWEZNQCLSA-N 483.392 1.189 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(O)(CCC)CCC)[C@@H]1CCS(=O)(=O)C1 1689988192 KTJFWQAVRWFFFD-IAGOWNOFSA-N 451.593 1.187 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCOc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689988586 RYDZDVJYTFBLDE-LJQANCHMSA-N 484.582 1.783 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1690104997 PGAGXYMJNVBYAF-NHCUHLMSSA-N 472.615 1.554 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[C@H]2COCCO2)CC1 1690134840 HVPVELMZJRUBLP-ZCNNSNEGSA-N 474.606 1.610 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1690148257 AOXLARBBPCHIDM-UHFFFAOYSA-N 485.592 1.980 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(O)CCN(C)C2)CC1 1690152594 QMLSIMJLTDQUBX-SANMLTNESA-N 480.613 1.506 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(n2cc(Cl)cn2)CC1 1690155327 IUKHWPUCBLEJDY-AWEZNQCLSA-N 472.040 1.946 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(OC)CCC2)CC1 1690411302 JMMIHIOVIYUJKX-GOSISDBHSA-N 453.609 1.973 30 10 JDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1690464834 LLWVXLXMAKDGMH-KRWDZBQOSA-N 473.665 1.787 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1690659656 ZHRJLNAVVLJKBG-UHFFFAOYSA-N 491.556 1.348 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(CCOC)CC1 1690665911 TUTRWCFTSKTNGY-UHFFFAOYSA-N 493.406 1.787 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC(=O)NC 1690670470 BYDUUBXZHQSKDX-INIZCTEOSA-N 463.583 1.267 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCOC(C)(C)C2)C1 1690700391 RRIMEHKKIJQFEE-ZWKOTPCHSA-N 453.609 1.072 30 10 JDEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1694551486 BDRTVTUJWYFSAQ-SFHVURJKSA-N 459.572 1.973 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(N(C)C)CCSC2)C1 1695945201 CRPMPUOEOIJKFR-SIKLNZKXSA-N 489.671 1.772 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC2([S@](C)=O)CC2)c1 1705503772 DIYVUEMUONYTDO-YTTGMZPUSA-N 456.572 1.384 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 1705559947 CFCJPLJCIGMHCK-AVRDEDQJSA-N 480.537 1.883 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1705565746 VXAQRQSYQFEFRB-DYESRHJHSA-N 459.597 1.880 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1705568814 VOCGOMQSWWTAJR-XXBNENTESA-N 490.651 1.969 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1705647467 GYRUQTVSCAJJFH-DYESRHJHSA-N 480.569 1.671 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(CN(C)C)c2)CC1 1705648709 WWLIQKSATWRAEU-QFIPXVFZSA-N 450.587 1.858 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2N(C)C)C1 1705661503 CRXRHQINSCEQNO-QGZVFWFLSA-N 460.629 1.570 30 10 JDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705738102 KYCLJLSEMIRLBH-UHFFFAOYSA-N 455.563 1.431 30 10 JDEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCN(C(C)=O)CC2)CC1 1705776415 FUSHRMRYPWBNAR-DEOSSOPVSA-N 460.623 1.885 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)N1CCOCC1 1705883370 GBMTWKBPWKLXLH-UHFFFAOYSA-N 453.503 1.092 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCN1S(C)(=O)=O 1705885618 YKDAZKQGSMJYPJ-YLJYHZDGSA-N 477.587 1.853 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705908059 GXENLEPQNULLSA-HNNXBMFYSA-N 465.601 1.505 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cnc(C)s2)C1 1705924316 BZDZXBLCKUUOLE-WBVHZDCISA-N 468.605 1.206 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)NC(C)C)C1 1705925035 JVTGECSXSWHDFX-MSOLQXFVSA-N 478.594 1.892 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@H]2C)CC1 1706650310 HARIFBODWJNGKP-HXUWFJFHSA-N 480.617 1.184 30 10 JDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCN1CCCO 1712012113 GOZSVAWWKKCWDC-RBUKOAKNSA-N 456.547 1.441 30 10 JDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)C[C@H](C)O1 1712302763 AICVZABGUXEDKA-NZQKXSOJSA-N 497.644 1.995 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(CO)CC2)cc1 1722276824 KDJBMLJEPVNVFZ-ZWKOTPCHSA-N 474.631 1.603 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1722277339 IITJYVJREKJZPC-FOIQADDNSA-N 467.617 1.737 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1722362995 PVNBWIVTNVUEKB-NHCUHLMSSA-N 487.626 1.427 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1Cn1cccn1 1722372950 GZVMHHBIKSPGPW-GOSISDBHSA-N 451.556 1.254 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1OC 1722394468 UUFQRALHMITMGB-NQIIRXRSSA-N 460.538 1.706 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)c1ccccc1 1722413204 JMJGZSQZEJYHCY-FQEVSTJZSA-N 460.604 1.597 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cnn(CC(C)C)c2C)CC1 1722448923 DEXVGRJIKSNBSM-UHFFFAOYSA-N 480.617 1.576 30 10 JDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1722451243 HMNCQTUGZZAMMW-MRXNPFEDSA-N 452.606 1.798 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1722468786 PXGCNIYLLDYMFJ-DUXKGJEZSA-N 451.593 1.346 30 10 JDEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC(=O)N1CCOCC1 1722518749 KIBCBWNDKCDXSP-UHFFFAOYSA-N 461.592 1.418 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1722583673 SUMVSZJYIQZJDN-SJORKVTESA-N 477.553 1.846 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCO[C@H](C)C1)C1CC1 1722650561 FHYUPFBSASIYNC-UYAOXDASSA-N 482.651 1.267 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1722706596 UOGRXBZIETWAED-FQEVSTJZSA-N 458.538 1.599 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1722751749 TZCAORYTZLNXBH-OAQYLSRUSA-N 470.599 1.719 30 10 JDEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1)S(C)(=O)=O 1728494494 HUBZZBXIUNTFSQ-KDURUIRLSA-N 462.576 1.338 30 10 JDEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1728540915 DIYKUBOQFMDCHX-UHFFFAOYSA-N 462.562 1.123 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1740533050 ODFHZVOJHGEHAC-XUVXKRRUSA-N 473.647 1.557 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCOC2CCOCC2)c1 1740561749 BJIVFUSTVOXQMT-NRFANRHFSA-N 480.569 1.871 30 10 JDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1740575304 QMYCWNCMHTXKNA-UHFFFAOYSA-N 469.571 1.707 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1740620317 VMDPDLVYQZVWRX-FQEVSTJZSA-N 462.535 1.895 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1740620635 GAVHNOOTZHYFIG-OALUTQOASA-N 459.620 1.426 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1740625148 MRRCASCMWFXYEI-NHCUHLMSSA-N 490.651 1.771 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1740626128 SMKRZKIOIMBBEC-LJQANCHMSA-N 465.583 1.400 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1740639115 RDZPHUKOVHIGCK-QGZVFWFLSA-N 464.551 1.232 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1COCCO1 1740678046 YSPLTVBCGNWUJN-QAPCUYQASA-N 451.524 1.083 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1COCCO1 1740678047 YSPLTVBCGNWUJN-YJBOKZPZSA-N 451.524 1.083 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(OC)ccc2OC)CC1 1740696009 JAFORWYQPFECKF-QGZVFWFLSA-N 459.572 1.001 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1740706484 USCHONRHERPTKP-HXUWFJFHSA-N 492.584 1.337 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](COC)C1 1740716847 BLBAFBDIQQMNSV-QZTJIDSGSA-N 481.619 1.805 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1740795147 OTXACXHVXBDYDY-LEWJYISDSA-N 480.679 1.378 30 10 JDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1740946567 AARSHIPILMXMAS-UHFFFAOYSA-N 460.608 1.546 30 10 JDEE Cc1cc([C@](C)(O)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)c(C)o1 1742093209 DXEKZCHXONCAGR-CDHQVMDDSA-N 451.524 1.740 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCC(C)(C)O 1744086139 BVPKYQWVJXSOJB-UHFFFAOYSA-N 471.610 1.598 30 10 JDEE CCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)CCOCC1 1744280132 FCDAGECMQPXCBD-SFHVURJKSA-N 481.605 2.000 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C1 1746552849 GZZKWOCROWHMGV-ZUQCGGBESA-N 492.627 1.158 30 10 JDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCOC[C@H]2C1 1748702892 DDYKFTSYIYTQRV-HXUWFJFHSA-N 472.615 1.520 30 10 JDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CCS(C)(=O)=O)C1CC1 1748750680 MPAAPMWYXQXWTR-UHFFFAOYSA-N 457.604 1.879 30 10 JDEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CCOCCCO)[C@@H]1CCS(=O)(=O)C1 1748804392 HCJHLQIUSUIVAF-LJQANCHMSA-N 483.594 1.827 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCNC(=O)c1occc1C)[C@H]1CCS(=O)(=O)C1 1748814449 GHVMMPJUESVBCC-RBUKOAKNSA-N 489.598 1.868 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1CC1(O)CCN(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1748822110 XTRADLMVXZTGQT-NRFANRHFSA-N 477.675 1.873 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1748824802 SZXCMERPIPUVOW-WIYYLYMNSA-N 490.582 1.298 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1Cc1ccccc1 1748847540 UXSSDKPGNARMFU-YADHBBJMSA-N 451.596 1.918 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C(=O)NCC)CCC1 1748960241 FFEDFMQMIACJEE-UHFFFAOYSA-N 477.569 1.584 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1748960581 LMAVVYLJALAUPQ-CJAUYULYSA-N 480.569 1.862 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(OCC(N)=O)c2)CC1 1749010635 OJBHZYMNLJVKAP-UHFFFAOYSA-N 473.537 1.218 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1749020018 INXJBTVEDNEXKM-IBGZPJMESA-N 473.647 1.013 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCCC2)C1 1749230432 XNLAQOHTGKWQSR-SFHVURJKSA-N 453.609 1.974 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCN(Cc2ccccc2)C1 1749670614 VEJVVBWYBIMKPI-RTWAWAEBSA-N 486.642 1.441 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760147199 KMDBPLAARBKFLH-UHFFFAOYSA-N 496.597 1.196 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1760186581 OYMURUYWXGPDSC-FQEVSTJZSA-N 468.558 1.976 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1760190631 SRAUIUGKTISAHT-SFHVURJKSA-N 454.556 1.798 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1760191743 MODOHVHDVKGFFF-XXBNENTESA-N 474.583 1.598 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1cccs1 1760216449 NYBKQTOIHDXBFA-UHFFFAOYSA-N 450.524 1.960 30 10 JDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1760244508 XLNONSQOOLOMQY-RXVVDRJESA-N 454.593 1.230 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCCn2cnnn2)CC1 1760258196 ICSGOWJRILUVPK-UHFFFAOYSA-N 456.352 1.540 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCC2CCN(CC)CC2)CC1 1760269149 ZYVWRVYAIGNBAG-UHFFFAOYSA-N 452.607 1.766 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CCN(C)C2)CC1 1760270520 QUXPHGNFYLGJCS-XMMPIXPASA-N 472.540 1.180 30 10 JDEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1760376839 GCJNXGDYBMUFJW-GOSISDBHSA-N 466.995 1.647 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1760520522 QJRSHZJHSGIRNI-SFHVURJKSA-N 473.603 1.473 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 1760551848 TYBAJHYQEWBXQC-QGZVFWFLSA-N 498.005 1.549 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC)(CC)C1 1760555079 WBJVVXSQKXHVCZ-KRWDZBQOSA-N 489.664 1.228 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC([C@H]3CCOC3)CC2)nnc1[C@@]1(OCC)CCOC1 1760558394 NUGFADBOBMIOFG-SIKLNZKXSA-N 468.620 1.784 30 10 JDEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)N1CCCC1 1762336721 AEPFGBVDKXMUAW-HXUWFJFHSA-N 457.604 1.773 30 10 JDEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(S(C)(=O)=O)CC1 1768996866 AVBFCULBSAJWTK-HNNXBMFYSA-N 463.585 1.885 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCS(=O)(=O)C1 1771100015 DHSNAOUWLYODHA-RBUKOAKNSA-N 472.571 1.189 30 10 JDEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCN2CCOCC2)=C(N)Oc2c1c(C)nn2CC 1864319461 VIAMXRQWQGQZKC-OAQYLSRUSA-N 467.570 1.919 30 10 JDEE N#Cc1nnn(-c2ccc3[nH]ncc3c2)c1NC(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 1870150759 IFIWEUQINAESLG-CQSZACIVSA-N 456.422 1.705 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)COc3ccc(OC)nc3OC)CC2)CC1 1890335774 GXHKEOZNEYTVPA-UHFFFAOYSA-N 460.575 1.126 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2124523660 IZYZZLIMQKXCFK-OAHLLOKOSA-N 451.304 1.832 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2180984287 VJBWATTXMSPDOO-JOCHJYFZSA-N 462.356 1.866 30 10 JDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 2267001731 OXJKQPMDWYYORU-HZPDHXFCSA-N 450.341 1.987 30 10 JDEE CN(CC[S@](C)(=O)=NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267116446 OLVJFLFGTSFGBP-YTTGMZPUSA-N 471.389 1.219 30 10 JDEE CN1CCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)[C@H](CNC(=O)OC(C)(C)C)C1 2267173600 NEEWLFXNDAPMQX-CQSZACIVSA-N 466.413 1.723 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H](O)C1 2267367532 VAPFFQCMCYUMBM-KGLIPLIRSA-N 488.437 1.696 30 10 JDEE Cc1nc(S(=O)(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2267468280 UTSYWOAFNAIKFX-AWEZNQCLSA-N 470.401 1.315 30 10 JDEE CC(C)(C)OC(=O)NCCN(CCO)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2267471644 IYTYCVGLOXATCP-UHFFFAOYSA-N 490.453 1.696 30 10 JDEE Cc1nn(C)c(C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2281985415 JQWRTDGWCVCRLZ-IBGZPJMESA-N 453.396 1.232 30 10 JDEE COc1ccc(S(=O)(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282492562 PJTLIVDBLXLVCV-CQSZACIVSA-N 486.396 1.158 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2282699322 ISETVBUCOSCKDC-FPTDNZKUSA-N 461.372 1.491 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1C[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2282860296 YEZRCRHHDSVJCW-RRFJBIMHSA-N 482.412 1.396 30 10 JDEE COc1cc(C=NNc2nc3c(c(O)nc(=O)n3C)n2C[C@@H](C)O)cc(Br)c1O 2318436434 ABQTYUPAYQPZCY-MRVPVSSYSA-N 467.280 1.139 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@H]1C(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2331526637 MYUJPCWVXJMJHW-VVLHAWIVSA-N 454.373 1.802 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(O)(CNC(=O)OC(C)(C)C)CC1 2362463511 WPRIMIJWQITMLD-UHFFFAOYSA-N 464.372 1.211 30 10 JDEE COc1ccc(N2C(=O)C[C@H](N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2=O)c(OC)c1 15463258 DOKGPFCHKIKNCM-IBGZPJMESA-N 484.534 1.214 30 10 JDEE Cc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2N)cc1 20918400 WPWXWEOHYQYFMZ-UFFVCSGVSA-N 460.545 1.125 30 10 JDEE Nn1c(N/N=C/c2cc(Br)ccc2O)nnc1SCC(=O)NCc1ccco1 21319391 IKSQMSCJSFVYMS-IFRROFPPSA-N 466.321 1.908 30 10 JDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccc(OC)cc2)[C@H](C#N)C(=O)N3)CC1 72444749 NFFTYHOMZHBOGL-DLBZAZTESA-N 451.483 1.782 30 10 JDEE CCn1c(Cn2nnc(-c3ccccc3)n2)nn([C@@H]2CC(=NNC(N)=S)[C@H]3OC[C@@H]2O3)c1=S 254834086 UNELMHJXMXOYRZ-KEYYUXOJSA-N 486.587 1.011 30 10 JDEE Cn1c(=O)c2c(nc(Sc3n[nH]c(NN=Cc4cccc(Br)c4)n3)n2C)n(C)c1=O 1084477903 JYJDUSBRHRZETP-UHFFFAOYSA-N 490.347 1.449 30 10 JDEE C=CCN(C(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1)[C@@H](Cc1ccccc1)C(=O)OCC 1138238810 IEOKWDYFVZVFGZ-INIZCTEOSA-N 453.499 1.484 30 10 JDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 1142179093 GPDIMHJYIIWTNE-MGPUTAFESA-N 456.524 1.659 30 10 JDEE C#C[C@@H](NC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1)C1CCOCC1 1280098164 VEJQKYYMLWNUTD-UZUQRXQVSA-N 452.548 1.879 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286381276 FVWHSJBXMNWPPI-AYOQOUSVSA-N 459.528 1.905 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286393960 SIWZENJVCWJFCR-YADHBBJMSA-N 486.642 1.247 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@@H](F)COC)CC1 1286480408 VRQGTBIMWLFLHL-QGZVFWFLSA-N 453.522 1.415 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C(N)=O)c1 1286554780 IJMMFGMQEWSCOR-AABGKKOBSA-N 473.599 1.897 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286561304 AYWYPXZLZVTHJQ-WIYYLYMNSA-N 460.604 1.763 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CC(=O)N1CCOCC1 1286562666 HDTVJBYIRZNNTE-LAUBAEHRSA-N 460.604 1.910 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286563939 LQLUTCGETCSGRV-FCEWJHQRSA-N 474.587 1.202 30 10 JDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C(=O)NCCOC)CC1 1286770131 UBTXLXDDPIMGMB-UHFFFAOYSA-N 475.619 1.712 30 10 JDEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1286777020 TUJXLIOARPDYGX-UHFFFAOYSA-N 462.514 1.972 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(C(C)=O)CC1 1286782397 STWYXUUSKFCXBB-UHFFFAOYSA-N 477.363 1.687 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1286787965 NNVKRORMODOJDU-GOSISDBHSA-N 485.564 1.374 30 10 JDEE CC(C)CN1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)C1 1287737406 HGGDOQNTHRJRMM-ABSDTBQOSA-N 455.604 1.698 30 10 JDEE N#Cc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cnc1C(F)(F)F 1290215566 FKHAEIKBDLOIDL-UHFFFAOYSA-N 454.430 1.923 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1300410114 LKKVRLWAMBADEP-GOSISDBHSA-N 482.607 1.082 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1c(CC)nn(C)c1OC)[C@@H]1CCS(=O)(=O)C1 1300495678 JHQPONQNQCLHKZ-VQIMIIECSA-N 476.603 1.499 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCS(=O)(=O)CC1CC1)[C@@H]1CCS(=O)(=O)C1 1300499565 UXZXRLOFCIAHBI-OAQYLSRUSA-N 490.651 1.629 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1300499638 VUROWRBLWHUTBW-DENIHFKCSA-N 474.656 1.328 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1300499639 VUROWRBLWHUTBW-KNQAVFIVSA-N 474.656 1.328 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1300504098 JTAXERVMXXCRRC-MRXNPFEDSA-N 473.534 1.292 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnccc1OC 1300512607 ZODJGMQUXIUGIK-UHFFFAOYSA-N 464.551 1.720 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCO[C@H]1C 1300561406 QDCJTBPHSZJUGL-FDDCHVKYSA-N 471.583 1.198 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOCc2ccc(OC)cc2)CC1 1300700222 NDSIWGKOSCHMLE-NRFANRHFSA-N 487.626 1.551 30 10 JDEE C=C(Cl)Cn1c(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301061820 YQQYDZILLNXBRO-HTAPYJJXSA-N 467.014 1.860 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1301458047 MBDONUXYVABBMO-KRWDZBQOSA-N 494.643 1.566 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1301484966 PEUQQKUPMCFHHW-QFIPXVFZSA-N 456.503 1.930 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1301491776 YKINAPUVTLULLZ-OAHLLOKOSA-N 454.501 1.691 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1301499556 BZYHOVSAMNDLLI-ICSRJNTNSA-N 473.622 1.391 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C(=O)NC 1301531395 LHVCLHGPYRVKLH-SJLPKXTDSA-N 461.588 1.612 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(NC(=O)COC)CC1 1301575566 IZEBAQINBZMDEV-UHFFFAOYSA-N 482.006 1.931 30 10 JDEE C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)Oc1ccccc1 1303721466 DPAUVEDALHBIGY-HGHGUNKESA-N 478.550 1.520 30 10 JDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1CCOCC1 1303770755 BXUQZKQQKZILIP-KRWDZBQOSA-N 460.604 1.797 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccnn2C2CN(C(=O)OC(C)(C)C)C2)c1 1304695929 KGIBEVSQELFWIO-UHFFFAOYSA-N 459.528 1.839 30 10 JDEE C#CCC1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 1308035246 VJEIEMJGGJBTMT-UHFFFAOYSA-N 455.580 1.523 30 10 JDEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1309428154 AEOLOWVITLWMOJ-SJORKVTESA-N 459.613 1.598 30 10 JDEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)NC)CC2)C1 1314262950 DHJDFTUCLRQRHG-UHFFFAOYSA-N 469.546 1.120 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1358958355 MOKTUFWGPLKGKQ-SFHVURJKSA-N 494.639 1.790 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1358958415 NOEBRCSRXAKYGG-QGZVFWFLSA-N 478.596 1.012 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1COCC)[C@@H]1CCS(=O)(=O)C1 1358963137 CJKNGGLCUZROIX-NHCUHLMSSA-N 458.584 1.994 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1358965431 VCYZXTJBCVUVJK-HXUWFJFHSA-N 451.552 1.948 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1359046757 DZSMCEXSJQKBKE-PKOBYXMFSA-N 484.626 1.787 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC[S@](=O)CC)CC1 1359047899 XVRFVEDQLVHVHT-JGCGQSQUSA-N 457.600 1.900 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1359096881 IEVZSQDAOIKRKK-DXIQSLLYSA-N 473.622 1.201 30 10 JDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1359283566 BPQCKLZUDDLHKJ-UHFFFAOYSA-N 481.648 1.498 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359294390 RYUFIIHYZKKEIZ-INIZCTEOSA-N 455.544 1.261 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1359336373 NRDBEXAWMZAMRC-HCXYKTFWSA-N 454.593 1.608 30 10 JDEE C=CCNC(=O)CNC(=O)c1cccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)c1 1446849930 RWZJSZHYLVCOLV-QGZVFWFLSA-N 457.556 1.531 30 10 JDEE CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CC1 1464747023 GWUKPEIQPFYIFQ-NZSAHSFTSA-N 454.980 1.156 30 10 JDEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507592101 WEALRCIIWMRTTN-UHFFFAOYSA-N 454.550 1.402 30 10 JDEE C#CCCCn1c(N2CCN(c3nccc(OC)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507598929 JIGSIILJHGOVBQ-HSZRJFAPSA-N 455.563 1.857 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccnc1OCC(F)F)[C@H]1CCS(=O)(=O)C1 1507632739 PLJFODOYZBOZIX-ROUUACIJSA-N 495.552 1.886 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cnc2c(Cl)cnn2c1 1507653301 MLJYUGHOKZSORO-INIZCTEOSA-N 457.947 1.192 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CC(F)(F)CO1 1507711558 WYTJVWRGWLMNOB-GOSISDBHSA-N 461.517 1.962 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2c3ccccc3C[C@@H]2C)CC1 1507719820 BDKWAZMKZVSQAV-RBUKOAKNSA-N 471.631 1.095 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CCCNS(C)(=O)=O)CC1 1507722802 JHXASIDELLCJGI-UHFFFAOYSA-N 453.572 1.188 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1507733061 NSZVZVDDVPGESR-VWLOTQADSA-N 482.560 1.527 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1507734064 GOOITKLKDJNJFP-GKVSMKOHSA-N 483.569 1.468 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3[nH]c(C)cc3c2)CC1 1507736706 RYAXFRRUKWURAQ-KRWDZBQOSA-N 497.625 1.692 30 10 JDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1507750809 FMWZJMLLIIDCMC-GOSISDBHSA-N 457.604 1.972 30 10 JDEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1507941195 DJYHINMMADUAIB-UHFFFAOYSA-N 463.542 1.290 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1508088997 HVDJRNPPQWVUFL-LJQANCHMSA-N 456.595 1.147 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1508093695 WHNQJIFFRWJJBU-UHFFFAOYSA-N 497.003 1.944 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(F)cc(OC)c2)C1 1508108061 DKKKTMYGZHORRS-RHSMWYFYSA-N 453.540 1.866 30 10 JDEE CC(C)(C)c1csc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)n1 1508479954 FDLQLVPSEUAVBI-LSDHHAIUSA-N 464.617 1.906 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1539072465 RSCIXVQFIJYWJB-DLBZAZTESA-N 492.568 1.487 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCSCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539219825 FQAKRGRCNSWJRD-RBUKOAKNSA-N 473.624 1.789 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1539231784 YEWPOWAGYINSGL-SFHVURJKSA-N 459.572 1.271 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OCC 1539326304 USNNLEVONZKMOC-JOCHJYFZSA-N 485.610 1.829 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539333905 PDXHVNLUZSGSCP-HXUWFJFHSA-N 466.567 1.473 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCCS1(=O)=O 1539405902 PLCPULCNYIZVJU-GOSISDBHSA-N 460.556 1.770 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCNC2=O)CC1 1539490541 DRPNROJNVDPKTK-UHFFFAOYSA-N 454.560 1.286 30 10 JDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1539743843 UEYRKIIZOVQUOV-UHFFFAOYSA-N 468.562 1.933 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)NC(C)C 1539916770 NMMYOBSFDZFCPC-INIZCTEOSA-N 456.613 1.174 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCS(C)(=O)=O 1540133067 DUEWBMARYWQOKJ-GOSISDBHSA-N 452.602 1.808 30 10 JDEE Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 1540336450 GXNRIPPIRWUBNZ-UHFFFAOYSA-N 455.496 1.742 30 10 JDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1540858064 GAIBHRKOOXJGLO-KRWDZBQOSA-N 465.601 1.267 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1540858477 YBFDAGSRGKPPPM-SFHVURJKSA-N 482.006 1.938 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1540865070 USUUYVFXRAJJKR-UHFFFAOYSA-N 480.960 1.721 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CC(N)=O 1540870218 HQEKPAXITHHFJX-HOTGVXAUSA-N 463.583 1.395 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1540900983 PCNPXIJJKJCELN-ICSRJNTNSA-N 460.604 1.488 30 10 JDEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1547220329 HYHQBDKLYKGDAL-GBXCKJPGSA-N 451.575 1.626 30 10 JDEE C#CCC[C@@H](O)CNC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 1556348833 CDCFBETYYKBYEK-KGLIPLIRSA-N 459.362 1.411 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)s1 1561106289 HTYDTAOIBAPQGU-UHFFFAOYSA-N 455.539 1.086 30 10 JDEE C#C[C@@H](NC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)[C@@H]1CCCO1 1564117239 LKHAIQHLQGSAAI-MSOLQXFVSA-N 451.545 1.337 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)n1 1568521629 GCQDTUVKWACKHK-UHFFFAOYSA-N 459.355 1.777 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1587765216 DADROTGEHYSGKG-IBGZPJMESA-N 496.634 1.472 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cn(C2COC2)nn1 1587984777 LBGIDHLEMGHMIH-MRXNPFEDSA-N 456.551 1.673 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1588069223 JRJKNUYHWHVPDM-GOSISDBHSA-N 459.547 1.409 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1588074044 HWMZCNLFZHUQBL-VQTJNVASSA-N 457.556 1.763 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1589287619 CDRYXYZMYBMWKB-AWEZNQCLSA-N 455.357 1.153 30 10 JDEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1594760250 GMYHMWILALSGCJ-UHFFFAOYSA-N 465.562 1.775 30 10 JDEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1595026465 LTQRSCPGQWIJND-UTKZUKDTSA-N 453.609 1.755 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@H]1C 1595261158 OLEQDRTWBCEQBK-MOPGFXCFSA-N 463.604 1.729 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1595550671 GZKPNXGTUFSKNU-CTNGQTDRSA-N 492.690 1.963 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1595595466 WHGSGINJPXFWLW-CLOONOSVSA-N 482.585 1.722 30 10 JDEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](C(N)=O)C1 1595871510 TXLARSCTNPAXCR-OAHLLOKOSA-N 463.633 1.859 30 10 JDEE C[C@@]1(NC(=O)C(F)(F)F)CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 1620522295 GISKLNOCKPJUKL-FXAWDEMLSA-N 455.456 1.677 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)c1 1639676747 RYHYGOWBHATBPK-UHFFFAOYSA-N 458.496 1.672 30 10 JDEE C#CCNS(=O)(=O)N1CCN(Cc2c(Br)cncc2Br)CC1 1653017376 YBWJTQKLKQAZAZ-UHFFFAOYSA-N 452.172 1.192 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3CCOC[C@@H]3C)c(Cl)c2)CC1 1663765730 KOUQJYBOFIIZNN-HNNXBMFYSA-N 455.968 1.182 30 10 JDEE C#CCn1ccc(CN(CC)C(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)n1 1668024620 LGTRPKALMJVROY-UHFFFAOYSA-N 451.487 1.063 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@H]2CCCCS2(=O)=O)c1 1689873337 FGHGNJOZFXSEQA-IBGZPJMESA-N 459.572 1.838 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1689893491 YSWOSZBVKHHSHE-SFHVURJKSA-N 491.618 1.664 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1689977893 GIXROXYNLWCZKV-IBGZPJMESA-N 471.583 1.392 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689978073 LEYQQQAXAKFXDW-KNTRGWTASA-N 492.627 1.099 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2cccs2)N(C)C)CC1 1690135241 SPDPFOVCYJVUAQ-SFHVURJKSA-N 471.631 1.747 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(N3CCOCC3)nc2)CC1 1690152197 BPEDESPARWZYNT-UHFFFAOYSA-N 467.574 1.060 30 10 JDEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690159650 IEJPVAYYPSIPOQ-INIZCTEOSA-N 480.612 1.961 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(=O)N(C)C)CCCC1 1690264835 FDKCWRPDGALOIT-SFHVURJKSA-N 482.651 1.662 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2)CC1 1690508809 QDGPRFIZFZTPNG-NRFANRHFSA-N 490.630 1.530 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nccs1)C1CC1 1690545440 RGPWNXIBWSBLEU-INIZCTEOSA-N 452.606 1.855 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1690674777 FCZLPUMAGVOYJV-UHFFFAOYSA-N 499.641 1.801 30 10 JDEE CCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1695201896 BLMFJQSZRJJUIA-UHFFFAOYSA-N 452.607 1.759 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(C)c1 1705494685 DLOPTRMAPFSKMC-NSHGMRRFSA-N 461.588 1.845 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1705564668 CEJIOVMCQIMYOD-FGSXEWAUSA-N 492.001 1.417 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1oc(CCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1705565725 JXLDFSVUZUCEDE-IAGOWNOFSA-N 495.627 1.104 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705566345 NJDCGUPSXAKCIC-ZRNYENFQSA-N 476.647 1.224 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1705652247 STVXIDKFDQYMDG-QFIPXVFZSA-N 455.588 1.593 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N1CCOCC1 1705859878 HPKIBCRHROUMBO-HXUWFJFHSA-N 463.542 1.542 30 10 JDEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705887948 SXXXORPEYGVMLC-UHFFFAOYSA-N 462.913 1.431 30 10 JDEE CCCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1709843997 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NZYPXBTVJHYFQW-UHFFFAOYSA-N 459.620 1.836 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1540868721 PBBFEXKZPJIIET-UHFFFAOYSA-N 463.542 1.937 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCNS(C)(=O)=O)C1 1540887889 FWXMHFCAXGRCJH-QGZVFWFLSA-N 463.560 1.437 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC2(CC1)OCCO2 1540909394 GQQVFHLNOMLDBY-OAHLLOKOSA-N 459.638 1.929 30 10 JDEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1)N1CCCC1 1546012095 BLVSLNVZGZQFTA-PZJWPPBQSA-N 467.574 1.554 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1554164894 BHCNDRVZGQXJMR-LJQANCHMSA-N 471.587 1.190 30 10 JDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nnnn1CC1CC1 1588459072 LEWWUTBVYQYZMZ-CALCHBBNSA-N 455.567 1.953 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1588961881 PTEPWZNWQSEYLN-KRWDZBQOSA-N 495.550 1.251 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1594236561 FOIXWDSHTJDLRZ-QUCCMNQESA-N 450.653 1.609 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](OCC=C)C1 1595551271 NCLYZALNGMJWGZ-ZWKOTPCHSA-N 476.578 1.670 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(F)cccc1F 1611307762 GPPVKUSEXZCYHT-KSSFIOAISA-N 468.530 1.870 30 10 JDEE COc1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)cc1OC 1619250242 BWJVUADNUCVHCM-OXJNMPFZSA-N 492.602 1.609 30 10 JDEE C#CC[C@H](COC)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1622819574 JJOALFPXPISCRY-QGZVFWFLSA-N 452.577 1.714 30 10 JDEE C=CCN(C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1)[C@H]1CCS(=O)(=O)C1 1659168981 KWWRIKFVJZDZTO-IBGZPJMESA-N 450.561 1.189 30 10 JDEE COc1ccc(C[C@@H](CO)CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1O 1686341192 DWJVSKNBQFOQHE-UXHICEINSA-N 452.511 1.524 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1689990853 SPSDVHGKIUPAJH-IRXDYDNUSA-N 497.668 1.123 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1=CCc2ccc(OC)cc21 1690001926 VLNSLOCRUBXCCO-KRWDZBQOSA-N 453.568 2.000 30 10 JDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1690067249 WNGPRNYTBTZDKH-SFHVURJKSA-N 475.479 1.643 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1690077287 MCXKQBQWIGAOEZ-XWSJACJDSA-N 493.630 1.664 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccccc1F 1690104123 NBLISCVKNQRYCT-IRXDYDNUSA-N 450.536 1.873 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1690229168 POFDVHHKUMTOSW-CABCVRRESA-N 474.425 1.830 30 10 JDEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1690284602 KQABQIKKNOEIPV-UHFFFAOYSA-N 465.558 1.936 30 10 JDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1690466801 BICKVVKJUQJQID-UHFFFAOYSA-N 485.633 1.697 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1690668748 HXUMXODYQGFQPM-LJQANCHMSA-N 462.558 1.738 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)cc2F)C1 1690699594 HAINMZIMNPFBKT-QUCCMNQESA-N 479.578 1.888 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690720240 CLOHTQZSPRNBPJ-UHFFFAOYSA-N 497.643 1.415 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)CC[C@H]2C1 1690731662 PNULMLAUTDKPNR-YQVWRLOYSA-N 465.620 1.609 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCN1CCOC[C@H]1C 1692531068 GDHOBEAKNOJNDI-HXUWFJFHSA-N 480.617 1.725 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1692572220 AFSNGXUVSWQWCE-KRWDZBQOSA-N 457.560 1.407 30 10 JDEE CN(C)S(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1696623973 DKJDVRPFVNBQEP-UHFFFAOYSA-N 498.588 1.493 30 10 JDEE CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)CC1)S(C)(=O)=O 1696649940 GHZOJRAOMZXCKM-UHFFFAOYSA-N 483.602 1.438 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1705476329 XMMRLEYSBKUXJM-AKKLJKOSSA-N 452.559 1.462 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1705516390 AAXXYZYGTYAWQR-VXKWHMMOSA-N 487.626 1.862 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CCC(=O)NCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1705570867 UTHFLKOBEDDYJG-FQEVSTJZSA-N 455.584 1.564 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCC3(C2)OCCO3)CC1 1705645588 YELVOFHPNNWWHQ-RTBURBONSA-N 475.590 1.511 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705706454 VDGHCSDYSQTMRP-XUZZJYLKSA-N 467.618 1.892 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1705717061 BOYHSSXXBUCPMT-IRXDYDNUSA-N 461.579 1.939 30 10 JDEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1705818172 CCCGAYBXTVHQJZ-GOSISDBHSA-N 451.531 1.592 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1705883496 KBVQFJBMGMWXNR-GOSISDBHSA-N 465.558 1.746 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](Cn2cccn2)C1 1705908516 CUBBYSYZMFUJHV-NLWGTHIKSA-N 457.579 1.601 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1705931022 CEJHKNYRDOCMRQ-HOTGVXAUSA-N 465.601 1.675 30 10 JDEE CCOC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CCCC1 1710493975 GONWVNUILFDNCD-GOSISDBHSA-N 466.608 1.700 30 10 JDEE COC[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1712129687 BUKNIFWPTWAFJK-SFHVURJKSA-N 453.547 1.673 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1722333228 UFFKAWRTMPGFFF-JOCHJYFZSA-N 498.609 1.944 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccnc(-n2cccn2)c1)[C@H]1CCS(=O)(=O)C1 1722358271 FPCYCOCMFJXOTO-SFHVURJKSA-N 453.572 1.831 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCOCCOC)[C@@H]1CCS(=O)(=O)C1 1722363166 RBDVVWZHUCPMMW-MRXNPFEDSA-N 452.964 1.888 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1722374949 ICWSQERFMHFWPZ-LJQANCHMSA-N 495.527 1.685 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCN(C)C1 1722381282 MUPHWRATUGNXFI-DVECYGJZSA-N 456.591 1.532 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1722421815 NFNCOXCLYGIFEZ-MSOLQXFVSA-N 498.650 1.621 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1722432873 HYHNZQGIMJYNNM-DEOSSOPVSA-N 468.558 1.204 30 10 JDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCS(=O)(=O)NC(C)C)CC1 1722438861 FGFDTUGWKYJVDZ-UHFFFAOYSA-N 466.558 1.230 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1722446351 STLTUYIZTYXUJQ-UHFFFAOYSA-N 493.593 1.262 30 10 JDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1722454514 LRBHKZREQVLSCM-UHFFFAOYSA-N 479.614 1.982 30 10 JDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@](C)(C(=O)NC)C1 1722458570 NIOVWDNDYHDPJA-QFIPXVFZSA-N 451.556 1.923 30 10 JDEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)CC[C@H]2C1 1722486588 AKALQMRJBOXMIE-ZDUSSCGKSA-N 465.377 1.989 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCCS1(=O)=O 1722505014 LPMKOUGXOLHGMH-UHFFFAOYSA-N 495.675 1.985 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CCOC)C1 1722510260 SHYMFWSFWTYPLC-YRPNKDGESA-N 483.635 1.455 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2oncc2C1 1722588264 OKSJYPLWXBYSTE-KRWDZBQOSA-N 450.565 1.764 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nncn1C 1722654786 VOSBSSDHIHGRIU-QGZVFWFLSA-N 457.560 1.558 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1c1nncn1C 1722693104 DAPOMMRIYRZSMX-CQSZACIVSA-N 460.340 1.808 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ccc(C)cc3)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1722704922 ZTUZTCIMZZFGAW-VWLOTQADSA-N 482.585 1.783 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1722729633 RNOUSITVZOBXQN-UHFFFAOYSA-N 451.980 1.944 30 10 JDEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOCCCO)C[C@@H]2C)CC1 1722799851 UPYNCFRGYRFVDQ-CVDCTZTESA-N 481.601 1.205 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(N(C)C)Cc2ccccc2C1 1723933632 GHAIGRHJTSQQDT-KKSFZXQISA-N 475.594 1.429 30 10 JDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1729544197 GNXMUUOERMFMFK-MRXNPFEDSA-N 485.536 1.686 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OC)CC1 1740592523 YZCNLRUHZDEXJY-KRWDZBQOSA-N 462.551 1.888 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1740621720 OJXHFHJTQSGMSG-RHSMWYFYSA-N 455.544 1.770 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1740625123 MMKXWPLPEIYIMO-GOSISDBHSA-N 455.540 1.849 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCN1CCOCC1(C)C)[C@H]1CCS(=O)(=O)C1 1740627124 YKHMPJMYCMOJLK-FQEVSTJZSA-N 472.615 1.001 30 10 JDEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1740629387 LWHURQBIDDIVRQ-FXKZBUDASA-N 495.646 1.837 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1740629607 TTYNEFCXTCTDIC-KSZLIROESA-N 454.593 1.444 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1740693361 ZIVXTBJZQJATHG-IBGZPJMESA-N 473.599 1.685 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 1740964972 YLFITIKRXXZWPS-UHFFFAOYSA-N 488.552 1.761 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2(C)COCCO2)C1 1740975051 RGHGONPMBSSYHT-WMZHIEFXSA-N 491.614 1.782 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)[C@@H](F)C1 1740987415 GNHVLWCRLBCZJD-QAPCUYQASA-N 485.607 1.590 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1740988351 BLKKXOYGIKQXEO-UHFFFAOYSA-N 471.587 1.615 30 10 JDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(OCC(N)=O)CC1 1741000459 RIMBHIFYFUKWSE-UHFFFAOYSA-N 483.598 1.582 30 10 JDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](C)CN1CCOCC1 1747187548 DFCKOQNNJDNTTJ-IBGZPJMESA-N 454.579 1.376 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CC2([S@](C)=O)CC2)c1 1748691331 CIUFAZXTPGKDME-WOPWWUTRSA-N 485.610 1.898 30 10 JDEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1748721989 RCTLBLGDWUYTPU-UHFFFAOYSA-N 468.577 1.792 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(cccc2OC)C1 1748751281 DVJROOHSIHXBJW-FQEVSTJZSA-N 459.572 1.596 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H](COC)OC)CC1 1749009989 FJVLXXDJAGVOBO-SFHVURJKSA-N 455.515 1.301 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1749016081 ZFSJVWGSOHTBJC-CLOONOSVSA-N 451.571 1.569 30 10 JDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1749169341 VYLFNMIUNXEOEN-UYAOXDASSA-N 466.590 1.880 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1749264814 FKOLMYWQJZAIRL-UHFFFAOYSA-N 476.994 1.954 30 10 JDEE C=CCCCn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@]1(OCC)CCOC1 1749439531 BGFYIIPFKBQQRV-LEEZEASISA-N 460.623 1.885 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC(=O)N(C)C[C@@H]1C 1749726927 JOZSKTZPUJWBQB-AWEZNQCLSA-N 467.979 1.875 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1749729762 RFTBCOTYIPWAGF-IBGZPJMESA-N 462.620 1.433 30 10 JDEE CS(=O)(=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)CCCC1 1750191208 CHHJHGJVQIHQFL-QGZVFWFLSA-N 469.633 1.668 30 10 JDEE Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCS2(=O)=O)c1C 1751324019 BCWZGYXKSDGTJX-RBUKOAKNSA-N 474.587 1.799 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCNS(=O)(=O)c1ccccc1 1760122781 RSZVVRFQMMZEGB-INIZCTEOSA-N 472.596 1.706 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCOCCN(C)C)CC1 1760260600 YYVZTLZXAKVCBF-UHFFFAOYSA-N 478.601 1.008 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccsc1)N(C)C 1760464793 PHKYHAMGQNHEEU-DLBZAZTESA-N 454.622 1.598 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1760557405 KONITRCZXIJMKH-IBGZPJMESA-N 477.562 1.718 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(N2CCSCC2)CCCC1 1761481980 DRUUITPCSJUGNR-APWZRJJASA-N 485.655 1.692 30 10 JDEE COC[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1770725855 BCJLCBNCINRMGD-LJQANCHMSA-N 451.575 1.844 30 10 JDEE CC(=O)N[C@@H](C)CNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1858651183 INPHCAKOEYIGEX-AWEZNQCLSA-N 457.512 1.001 30 10 JDEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861609635 OGLIITWVEKWHDZ-SIKLNZKXSA-N 479.533 1.952 30 10 JDEE O=C(NCCN1CCOCC1)[C@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869932285 ZCEXFDUQPLVLIA-NRFANRHFSA-N 481.578 1.266 30 10 JDEE C=CCn1cc(OCC(=O)Nc2cccc(Cl)c2)c(=O)cc1CN1CCN(CCO)CC1 1870713338 BFVBZKJYXMKYEE-UHFFFAOYSA-N 460.962 1.815 30 10 JDEE CN(CC1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1)c1ncccc1C#N 1891864160 GMLLIDOYBODJOU-UHFFFAOYSA-N 483.594 1.963 30 10 JDEE C#CC[C@@H](N)C(=O)Nc1c(I)nc(C)nc1I 2008821758 FYYLFXXQXKJUFV-ZCFIWIBFSA-N 456.025 1.283 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2206161653 VFTSKUVERJRVFV-KRWDZBQOSA-N 461.368 1.761 30 10 JDEE CC(C)(C)OC(=O)N1CCS[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248404177 IXSCANSNVNFSCP-LLVKDONJSA-N 456.399 1.550 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1 2255750901 RFLXVTKFOVANAS-CALCHBBNSA-N 490.391 1.455 30 10 JDEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267170497 WKKLTNXMTNCWDY-HUUCEWRRSA-N 464.397 1.857 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268637169 KGJWPOOINORJLN-LBPRGKRZSA-N 464.357 1.057 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)O1 2268710742 JDCGBRFJMNQDPP-QWHCGFSZSA-N 468.385 1.660 30 10 JDEE CN(CC(C)(C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)OC(C)(C)C 2273281714 VCNNDYWLAXUGSK-UHFFFAOYSA-N 451.377 1.832 30 10 JDEE COc1cc(CNC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2273863228 WNSWHAQKWDXXHX-MRXNPFEDSA-N 450.341 1.496 30 10 JDEE COC(=O)C1(NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2281799164 REMUMZIHBWJDMI-UHFFFAOYSA-N 461.324 1.273 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](NC(=O)C(F)(F)F)C[C@H]1C 2282003853 FOQBJUAHCOGGRX-YPMHNXCESA-N 458.290 1.699 30 10 JDEE CCCN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282334172 YCZLBFCWLIVUEP-UHFFFAOYSA-N 484.428 1.739 30 10 JDEE C[C@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@@H](C)N1C(=O)OC(C)(C)C 2282421469 OFEQVJOVCPGXJA-GASCZTMLSA-N 484.428 1.738 30 10 JDEE CCn1cc(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)[C@@H](C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282539607 WZZGRPFQUQRCBA-QWHCGFSZSA-N 458.290 1.731 30 10 JDEE Cn1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](C(F)F)C2)nc1B1OC(C)(C)C(C)(C)O1 2282541918 AUSBXZYWYUIXTP-CHWSQXEVSA-N 470.326 1.950 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)n1 2282618323 LXXFMWXQWCDEJM-GJZGRUSLSA-N 461.372 1.586 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)n1 2282618325 LXXFMWXQWCDEJM-HUUCEWRRSA-N 461.372 1.586 30 10 JDEE CC(C)(C)OC(=O)NCC[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCO1 2282625278 SQJQOPCBXKVKIU-MRXNPFEDSA-N 462.356 1.532 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CCC[C@@H]1CN(Cc1ccccc1)C2 2282682465 PBKMUCKCIRCNNP-KDURUIRLSA-N 451.380 1.993 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@@](C)(CO)C1 2282710222 LPGUKWQKPUIQLW-JOCHJYFZSA-N 462.356 1.220 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2282854730 VJVGZKGYPDYSKL-RRFJBIMHSA-N 482.412 1.253 30 10 JDEE COc1ccc(/C=N/NC2=NC(=O)[C@@H](CC(=O)N[C@@H](Cc3ccccc3)C(=O)O)S2)cc1 21658709 BDUAUQGXFWSEAR-PMOGBOBBSA-N 454.508 1.819 30 10 JDEE Cc1ccc(S(=O)(=O)NC(=O)C[S@@](=O)CC(=O)Nc2sc3c(c2C#N)CCC3)cc1 586347125 JSAOPEVLWCNZJB-LJAQVGFWSA-N 465.578 1.609 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(Cc3nccn3C(F)F)CC2)ccc1F 743959610 HFLVLLJUDHKZRP-UHFFFAOYSA-N 457.478 1.840 30 10 JDEE CN1CC(=O)NC1=NC(=O)[C@@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757309869 YFZFLEYJUKTERR-LJQANCHMSA-N 464.478 1.703 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)cc1 917186528 MPPALBOLSXIBPT-UHFFFAOYSA-N 453.564 1.952 30 10 JDEE C[C@@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)NCCc1ccc2c(c1)OCCO2 919318136 COJCZISJKKUJMH-MRXNPFEDSA-N 472.519 1.535 30 10 JDEE NS(=O)(=O)c1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3cccc(O)c3)n2)cc1 1084022174 QQVVIUSJJNGYMO-UHFFFAOYSA-N 461.529 1.725 30 10 JDEE N#Cc1ccc(N2CCN(C(=O)CCS(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cn1 1154223261 FTBNGJLNYOSTSK-UHFFFAOYSA-N 456.524 1.627 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCS(=O)(=O)NC(C)C)c1 1286310810 ZYOGDJSABOEURO-UHFFFAOYSA-N 481.582 1.724 30 10 JDEE C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286344535 QUMDVWRPRIAWKL-UHFFFAOYSA-N 450.587 1.902 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1286389151 YPCMSHYHOPEALI-AWEZNQCLSA-N 470.382 1.967 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1286391367 CUXYIZMSHDKDEZ-XXBNENTESA-N 455.584 1.282 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](CC)OC)CC1 1286489062 DOSFEZOHEGIYRY-HXUWFJFHSA-N 463.546 1.312 30 10 JDEE C#CCSCCn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1286511979 GPIVYJDNIWRYCB-LZJOCLMNSA-N 452.577 1.045 30 10 JDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1286592730 SFEDOHSIJRKVHX-JKSUJKDBSA-N 450.540 1.114 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1286780822 IPHQAOCZJDUOBF-UHFFFAOYSA-N 492.515 1.329 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1286787522 VUDOSFCYVCWILM-LJQANCHMSA-N 450.547 1.669 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)N(C)Cc2ccccc2)C1 1286812053 KXCWBHBREROBSY-HXUWFJFHSA-N 452.559 1.840 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1286813984 HBVYSDZKSCDWRR-OAHLLOKOSA-N 451.553 1.093 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1286823434 NFMFXQRIRBKLTB-IRXDYDNUSA-N 480.660 1.789 30 10 JDEE C[C@@H]1CCCN(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)C1 1291125909 DDHHHUMETUBPRF-IEBWSBKVSA-N 458.588 1.809 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)CC1CC1)[C@H]1CCS(=O)(=O)C1 1300499534 UGTLPCRVUKPCSD-FQEVSTJZSA-N 494.614 1.460 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCS(=O)(=O)NC(C)C)CC1 1300689190 SBCSCXRDWRCEGY-UHFFFAOYSA-N 450.996 1.682 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCC(=O)NCCC)CC1 1300726097 LWNGVRVKFURGEZ-NRFANRHFSA-N 480.569 1.673 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1300764309 WHRNDAVUQWENFH-IAGOWNOFSA-N 480.685 1.886 30 10 JDEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1 1301008940 DSFNQBQCWUXDAT-GHTZIAJQSA-N 460.535 1.766 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(CC)noc2C)CC1 1301126600 WXTDKZQHHJIKQK-IBGZPJMESA-N 464.592 1.921 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ccc(OC)c(F)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1301518934 KZJSWAGFCRWTDP-XMMPIXPASA-N 488.564 1.707 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1301577448 JPAQFKHCKUCMGR-UHFFFAOYSA-N 462.576 1.998 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1301577953 VHLUYVNRNOHMIC-LJQANCHMSA-N 452.968 1.557 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCCCO1 1303861051 DISKWYBNAZNARX-WMZOPIPTSA-N 474.591 1.051 30 10 JDEE CS(=O)(=O)NCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C#N)C1 1316361059 BHHLVWKSEUMWDP-ZDUSSCGKSA-N 475.358 1.442 30 10 JDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1349722253 DPBVSCAZUCXDGA-QGZVFWFLSA-N 458.378 1.753 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)nc2)c1 1358902038 CWISEEGHVCIAHL-FQEVSTJZSA-N 472.553 1.795 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCc2nc(C)no2)c1 1358902523 QOPYCNKFNMBPCZ-SFHVURJKSA-N 462.514 1.610 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1358959605 MDAFYLBZSKVVPX-GOEBONIOSA-N 484.003 1.055 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1358963079 BJZIXCWUNQKUCD-QZTJIDSGSA-N 498.577 1.793 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@]2(O)CCN(C)C2)CC1 1359030156 PBFIOVKDPOXUDB-JPYJTQIMSA-N 458.994 1.893 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1359060266 PHZCNLAXQRWNCA-UHFFFAOYSA-N 487.674 1.292 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(C)c1C 1359099883 UOYFUZOLXPPCIB-RLLQIKCJSA-N 493.634 1.271 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1359133786 ZGVFMWIITJVUSF-HXUWFJFHSA-N 460.623 1.946 30 10 JDEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359133825 ZXOGNDDYOYQVSF-UHFFFAOYSA-N 497.648 1.255 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](COCC)C1 1359331051 LWXCEFUULABGET-HNNXBMFYSA-N 451.549 1.469 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507621555 BSCFDRGZNOUVBO-NVXWUHKLSA-N 455.606 1.015 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NC 1507672381 YWXFIMOOPYHSIX-GOSISDBHSA-N 472.590 1.822 30 10 JDEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1507692621 ZGLPZWYBQAPLBX-UHFFFAOYSA-N 451.556 1.357 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn(C)c1 1507705504 DXUILYBLRZNAPW-UHFFFAOYSA-N 457.560 1.063 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC=CO1 1507706466 MBRBOVGBVTXEIH-LJQANCHMSA-N 459.572 1.974 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(CC(F)(F)F)CC1 1507711422 UUOWSMJRQPXGOR-KRWDZBQOSA-N 477.553 1.541 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2CC2(O)CCOCC2)n1 1507717195 QMVSBDMHEIZORS-UHFFFAOYSA-N 451.531 1.364 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2c3ccccc3C[C@H]2C)CC1 1507719825 BDKWAZMKZVSQAV-RTBURBONSA-N 471.631 1.095 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nc(C(C)C)cs2)CC1 1507736725 SFPAFLPXISHRNP-HNNXBMFYSA-N 493.659 1.482 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@@H]1C 1507771461 AGOOSLYTMYPOEC-WAOWUJCRSA-N 450.609 1.087 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(S(C)(=O)=O)CC1 1507810977 ZHNZPKGORPAAQB-QFBILLFUSA-N 494.643 1.332 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccccc2F)C1 1508129841 DDXBMOXULFHGMC-GOSISDBHSA-N 465.551 1.734 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1508137006 WSNSTFQSBXMVMB-SFHVURJKSA-N 452.602 1.949 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](SC)C1 1508144787 GYXHUBYHKXNOPC-CVEARBPZSA-N 462.663 1.503 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC(NC(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1508149043 NYWYUZGFIVTBDI-NRFANRHFSA-N 469.608 1.024 30 10 JDEE CC(=O)N1CCC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 1508219137 ASPBHCHXAXXZAT-CTNGQTDRSA-N 486.598 1.611 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)NCCn2cc(Br)ccc2=O)ccc1F 1534381630 CDUSTKXHGSYYNB-UHFFFAOYSA-N 458.309 1.644 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCN1CCN(C(C)=O)CC1 1538974669 XGKDUMJXJJSVGT-OAHLLOKOSA-N 462.396 1.668 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1539125905 PSDMJJJYQUOYJB-IRXDYDNUSA-N 461.592 1.422 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1539212304 UMEJVROFOTTWER-HNNXBMFYSA-N 471.004 1.660 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539222385 VSGYVPVRIDVAFT-DLBZAZTESA-N 451.593 1.104 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(C(=O)NCC)cc1)[C@H]1CCS(=O)(=O)C1 1539226456 YQGDLXNIKGBOEE-QFIPXVFZSA-N 492.605 1.689 30 10 JDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1539230505 NHXHKAFXZHAPDL-IBGZPJMESA-N 466.567 1.210 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1539230870 MRHKKIFELMADPG-ZWOKBUDYSA-N 477.587 1.536 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1539231944 ZITWLZFKJRHCFE-PMACEKPBSA-N 474.583 1.516 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1539231999 ZYJDCTAKXGXSID-IBGZPJMESA-N 484.582 1.698 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCCN2CCOCC2)CC1 1539477786 YOXCFTPLGVAYSS-UHFFFAOYSA-N 465.602 1.727 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CC1 1540122313 ULIMZPBPNXXLKE-GOSISDBHSA-N 454.556 1.871 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC(C)(C)O[C@]3(CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540909045 VWGNXPALGXKQBV-DHIUTWEWSA-N 498.646 1.694 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](CC(C)C)NC(=O)NCc2ccc(C)cc2)CC1 1542893032 DXRJSMMTBHXWGQ-QFIPXVFZSA-N 455.603 1.493 30 10 JDEE Cc1nc2n(n1)CCN(c1nnc(COc3ccc(C#N)cc3)n1CC(=O)NCC(F)F)C2 1543094376 HERNUCLUERTFGF-UHFFFAOYSA-N 457.445 1.030 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)ccc1F 1543734834 KRMPDCWUGQCJEN-OAHLLOKOSA-N 452.508 1.875 30 10 JDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1587975106 NQJQUNTWSWUPSO-UHFFFAOYSA-N 476.585 1.469 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1588059287 LDNDZYZPGSJFDI-LJQANCHMSA-N 456.547 1.725 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(O)CCN(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1588064997 QVSYEJHUGWRHJV-NRFANRHFSA-N 486.642 1.126 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1588174181 RRXWIGJASVIUGL-FQEVSTJZSA-N 476.585 1.331 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCCC)c(OC)c2)CC1 1588811652 LOOWHXURMBMNBZ-HXUWFJFHSA-N 487.626 1.781 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cnn(C)c2C)CC1 1588837556 YDQYRPRHXGVNKX-HXUWFJFHSA-N 484.605 1.432 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1588848474 GXLXAEVVTOWNGQ-NHCUHLMSSA-N 451.619 1.907 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(OCCC)nc2)CC1 1588876775 IPLPTJXKCBYSBJ-UNMCSNQZSA-N 454.575 1.989 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(NC(C)=O)c2)CC1 1588885539 WXEZITMEUXKMTQ-UHFFFAOYSA-N 477.569 1.487 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)CC1 1588899176 LYVSPBUAVHEVHW-UHFFFAOYSA-N 471.521 1.692 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)COC)CC1 1589484716 VVLMJKUTDYHLGS-YLJYHZDGSA-N 469.546 1.202 30 10 JDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1593908270 IEFCGJYCAAYXCP-UHFFFAOYSA-N 460.970 1.533 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1595497069 OYOZIRKEUYDYTJ-SFHVURJKSA-N 498.584 1.864 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H]1CCSC1 1595497073 PCXYTWHVDYLUKY-MRXNPFEDSA-N 464.617 1.439 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1595536922 IZVOOSYZEHCPNZ-SFHVURJKSA-N 469.521 1.023 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CC(=O)NC)CC1 1595776709 DJAYLKXFGGIGJA-UHFFFAOYSA-N 475.571 1.627 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1595831105 LDYCSHCNISBASK-QZTJIDSGSA-N 451.593 1.473 30 10 JDEE CC(=O)N1CCN(CCn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1596288822 JMZTVPGJIDEXKZ-JOCHJYFZSA-N 451.575 1.844 30 10 JDEE Cc1ccc(S(=O)(=O)NCCn2c([C@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)s1 1612156205 ALEBBOOLCSCEQE-KSSFIOAISA-N 454.553 1.572 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CCO[C@H]1C1CC1 1619912431 CMXWNJYIODZCAZ-LQWHRVPQSA-N 451.593 1.752 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 1622886169 XHSWMPRQYBBBEX-MRXNPFEDSA-N 455.544 1.897 30 10 JDEE Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@@H](C)Oc3ccc(C#N)cc3)CC2)cc1 1632819947 DHYQTDOGQIEMOK-LJQANCHMSA-N 456.568 1.757 30 10 JDEE COc1cccc([C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c2nccn2C)c1 1641554256 ICJVWYOUVIDGNQ-FOIQADDNSA-N 453.524 1.873 30 10 JDEE CC(=O)NC1CCC(N(C)CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 1645254230 HVHWKKLTJHYECM-UHFFFAOYSA-N 454.531 1.834 30 10 JDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1cc(C(=O)OCC)c(Br)cc1F 1662402507 LLSOOUWIIXJTDB-UHFFFAOYSA-N 458.327 1.644 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccc(C)cc1 1689966497 TVNCANWTZXYAPB-LJQANCHMSA-N 463.629 1.922 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1689981964 FCQDOVDWZAPNBZ-MRXNPFEDSA-N 492.403 1.639 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)c1ccccn1)[C@H]1CCS(=O)(=O)C1 1689994360 WSBMKVBOPBTKMS-SFHVURJKSA-N 470.599 1.400 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1cnc2ccccc21 1690032735 HYKRVBGPHRRUSG-SFHVURJKSA-N 453.572 1.791 30 10 JDEE 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C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C2CCOCC2)C1 1540917144 OOQBJVAMQFAILU-RBUKOAKNSA-N 485.676 1.783 30 10 JDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1541703226 HUXKAQPYVNNCQE-UHFFFAOYSA-N 453.503 1.332 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(N2CCOCC2)c1 1541927217 GVRCZZZNYUBDKW-HRAATJIYSA-N 477.566 1.215 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)Cc1cccc(F)c1 1545928691 HMXBDIXSKOFEPA-IBGZPJMESA-N 471.537 1.423 30 10 JDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCCN1CCCO 1548170753 BCPIQLLUGGOODK-FQEVSTJZSA-N 454.579 1.255 30 10 JDEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1555818843 GXENHKAYLBSQAY-FQEVSTJZSA-N 487.630 1.590 30 10 JDEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1555983817 DFYWWECSWKERNG-CVEARBPZSA-N 490.380 1.761 30 10 JDEE CC[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@H](c1ccc(C)cc1)n1cncn1 1558953989 GDIIRUPCJVDXSW-IRLDBZIGSA-N 452.540 1.921 30 10 JDEE CC(=O)OCC(=O)[C@]1(O)[C@@H](O)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](OC(C)=O)C[C@@]21C 1565535452 MCXFEPIGNNTCAA-MNNRYCDQSA-N 460.523 1.670 30 10 JDEE C#CC[C@@H]1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1587044147 RTGNMBQTXCFXEI-QGZVFWFLSA-N 451.976 1.825 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cn2ccc(C)cc2n1)[C@H]1CCS(=O)(=O)C1 1588025186 VCJNUCMWZKJIRV-SFHVURJKSA-N 469.571 1.047 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCCS(C)(=O)=O 1588124072 COHNVAVVGBNREB-UHFFFAOYSA-N 466.567 1.480 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1588791347 SOVMKHZEVWVJNM-RUZDIDTESA-N 466.586 1.976 30 10 JDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](C)(C(N)=O)C1 1589068953 GHLFWSDLHNAICH-QFIPXVFZSA-N 454.604 1.520 30 10 JDEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1589078680 WIELAPZGYAIQRI-UHFFFAOYSA-N 466.611 1.471 30 10 JDEE C=C(Br)Cn1c(COCC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1589449374 CGMXHMFVIRNQQO-UHFFFAOYSA-N 475.369 1.363 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1589559193 OEOYSNFRBRBVBD-LAUBAEHRSA-N 460.604 1.763 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@]2(CNC(=O)C2)C1)C(C)C 1595171073 PTCURRFFUKCXOV-IECBHUPTSA-N 455.607 1.644 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1595405475 QEGOXXUBOVPNGQ-KRWDZBQOSA-N 470.596 1.102 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(Cn2cncn2)CC1 1595506594 GDCVTKRYZNAIIJ-UHFFFAOYSA-N 466.546 1.773 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595603053 WMFHFNCKMTULEZ-HRCADAONSA-N 461.567 1.018 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1nncn1C 1595650098 WZFFRCSVVWCHLY-AEFFLSMTSA-N 486.602 1.971 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(O)c2)C1 1595730339 VUBYEXPNMOBASS-OALUTQOASA-N 463.560 1.146 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1595796963 CGMVPLIZIDHOHB-MOPGFXCFSA-N 475.619 1.668 30 10 JDEE CC[C@@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1613718046 GEHQYJBOCCHVPX-VXKWHMMOSA-N 475.571 1.284 30 10 JDEE C#Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc1 1618689152 DEVKEFSRVAGTAK-UHFFFAOYSA-N 455.536 1.778 30 10 JDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCNC(=O)[C@@H]2c2ccccc2F)CC1 1652978352 HIRWPILKOSXDNX-GMAHTHKFSA-N 453.493 1.847 30 10 JDEE COc1nc(N2CCN(S(=O)(=O)c3cccc(F)c3C#N)CC2)ncc1Br 1654428467 CYMJOBQNVJXPMU-UHFFFAOYSA-N 456.297 1.769 30 10 JDEE C#CCC1(O)CCN(CC(=O)N(CCC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)CC1 1654620207 PWFLSASGXKEAGT-UHFFFAOYSA-N 453.543 1.173 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)CC1 1659453786 XPEXMCNIJCNXGI-UHFFFAOYSA-N 450.561 1.418 30 10 JDEE C#CCN(C(=O)Nc1cc(N2CCOCC2)c(Br)cn1)[C@H]1CCS(=O)(=O)C1 1662678607 DVDQGTSTJAEQNI-ZDUSSCGKSA-N 457.350 1.335 30 10 JDEE C=CCOc1ccc(CNC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc1 1681031622 JESCZXGHFZQTLX-UHFFFAOYSA-N 459.524 1.895 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1689980562 UMKVVPRCRHFVII-SJLPKXTDSA-N 491.589 1.956 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Br)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1689986924 ZTILHWFFUSXKEM-INIZCTEOSA-N 494.415 1.861 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1689989152 BKFOEGIPCGISPP-AABGKKOBSA-N 497.687 1.071 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689996862 PYLKMKVQJMCJNC-LJQANCHMSA-N 473.599 1.579 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccccc1Cl 1690019291 FGKNNLJJHFCCMZ-SIKLNZKXSA-N 492.001 1.245 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(-c2ccccc2)c1 1690047832 ZXCZKRQWBGYPKW-JOCHJYFZSA-N 493.593 1.308 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(CN2CCOCC2)CCCCC1 1690059303 NRPHMUBRHNCGSL-IBGZPJMESA-N 466.652 1.631 30 10 JDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(=O)N(C)C)c1 1690101034 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C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C)Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1705568084 HISBJKILJOTYPK-PKOBYXMFSA-N 489.573 1.634 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1705568395 MVSGIEAISONPEC-INIZCTEOSA-N 473.580 1.997 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1705571903 KQPPZTQMLADANO-FCEWJHQRSA-N 479.628 1.696 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@]2(C)CN(C)C2=O)CC1 1705634096 JGQWHCGZPOOZIO-QFIPXVFZSA-N 487.402 1.950 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)C(C)C)CC1 1705645154 MIUXKHVLTFPKAV-RPWUZVMVSA-N 461.607 1.692 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccc(O)cc2)CC1 1705897272 JMPMBROKYRBASN-OAHLLOKOSA-N 462.576 1.280 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1705899935 LLHZQPQUPMNWDI-PMACEKPBSA-N 482.633 1.403 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1705900179 SINFIFBBIKHQCT-UHFFFAOYSA-N 475.553 1.890 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1705900965 VZAMEOPOOMQPEE-QZTJIDSGSA-N 495.584 1.778 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1705905393 UATHHNCWPCCGCG-OAHLLOKOSA-N 467.542 1.853 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1705905797 HKGJFDPLTKCZHK-UNMCSNQZSA-N 494.644 1.383 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1705906947 UMIJMAKDMLRNQX-QFIPXVFZSA-N 492.628 1.636 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1705933265 ZSXDITZPMRZPBH-KRWDZBQOSA-N 490.605 1.474 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1705936937 BZDOOMQEQWSTRN-IBGZPJMESA-N 474.631 1.996 30 10 JDEE C=CCSCCn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1705948778 FFGXENKYQYLQNC-XZDHIHRUSA-N 492.690 1.838 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1nc(C(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1722360883 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C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722724577 AJEAKOMBZPWHPJ-QHCPKHFHSA-N 486.598 1.464 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 1740562598 LLAATKCMSJKRLP-SFHVURJKSA-N 481.582 1.611 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740615334 BENHGKNOPVTAJF-SJORKVTESA-N 496.634 1.346 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1740625529 QRADSFPSUHIBFX-WMZHIEFXSA-N 489.573 1.074 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)N1CCN(CC)CC1 1740681404 KEGPOUXXONEBRP-IBGZPJMESA-N 454.575 1.786 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@](C)(O)C2CC2)CC1 1740698997 XUKLCHPQAMMVAE-QHCPKHFHSA-N 472.615 1.112 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2nccc(C(F)F)n2)CC1 1740708272 JKWKWGOXXCKXGO-UHFFFAOYSA-N 472.500 1.142 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCCCOC)CC1 1740782627 JKZAVINHRMXYLV-GOSISDBHSA-N 457.597 1.209 30 10 JDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1740884493 COFXLCPCIYFWNJ-NHCUHLMSSA-N 482.633 1.954 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1740950962 NWSKDZFPAZPAIW-KRWDZBQOSA-N 472.525 1.258 30 10 JDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740962389 BWHPGDQJSHPEHJ-UHFFFAOYSA-N 452.625 1.563 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(c2ccccc2CO)CC1 1740985716 KRLFRTBQPAOOFB-UHFFFAOYSA-N 487.626 1.991 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2CC2(O)CC2)c1 1748695144 YRDNTQIBTPUBTG-UHFFFAOYSA-N 464.551 1.851 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1748803163 VOPLUXAZVIACEP-LJQANCHMSA-N 482.541 1.934 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC(C)(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1748814657 ILXRWOBNXCTUAQ-MSOLQXFVSA-N 486.598 1.477 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1CC1(NC(=O)OC(C)(C)C)COC1)[C@H]1CCS(=O)(=O)C1 1748816029 VVNXHNHMTWCRHS-KRWDZBQOSA-N 479.603 1.466 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1748817969 UDBDWAQSLFYUIR-QYZOEREBSA-N 484.644 1.156 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)COCCO1 1748965011 OQJAKAYFLAHSEC-MBSDFSHPSA-N 479.578 1.478 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2CCS(=O)(=O)CC2)CC1 1748984137 GPDXDQOTSLSFCU-UHFFFAOYSA-N 487.626 1.932 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](F)COC)CC1 1749003656 QXRXXYRGLYPJCP-GOSISDBHSA-N 477.562 1.299 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@]2(O)CCOC2)CC1 1749005118 SCFYBLGIANZTRE-BWKNWUBXSA-N 451.571 1.937 30 10 JDEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)NCC)CC1 1749222370 GMIMFLMJRLIGDM-UHFFFAOYSA-N 490.634 1.682 30 10 JDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1749236038 ZJXXEVYVOPPBQN-UHFFFAOYSA-N 470.534 1.623 30 10 JDEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1749400748 LZVNNKVAZMQTBW-ROUUACIJSA-N 478.594 1.894 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)N(C)C 1749532936 ZDUHGSOXTGLSES-GOSISDBHSA-N 457.560 1.185 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(=O)NC(C)(C)C 1749669356 JVUVKPMGASAFLT-UHFFFAOYSA-N 469.594 1.105 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1749734278 HYNVVORWUBPTIW-GOSISDBHSA-N 450.609 1.878 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCc2ccccc2C1 1751216359 CWCYWPVTYSPXMQ-JTSKRJEESA-N 475.594 1.779 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccccc2c1OC 1760116967 LWTSLQXYFZFUIX-BEFAXECRSA-N 473.555 1.872 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1760126107 YHGXMHKDJHLLOD-FOIQADDNSA-N 450.586 1.587 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1760185610 ABTSFXLJPMKPHX-HZPDHXFCSA-N 498.577 1.209 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@H](c1ccccc1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760193044 RWJNXJHOULZEDD-FGZHOGPDSA-N 487.626 1.515 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCCS(C)(=O)=O 1760202977 RMWCEYYLXIYJFD-IBGZPJMESA-N 493.630 1.527 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCSCC2)CC1 1760251865 JZHDEFGVZGQMAC-UHFFFAOYSA-N 467.643 1.951 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCN(C)CCCC)CC1 1760259600 CVVACRGQIZKXET-UHFFFAOYSA-N 462.602 1.679 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(=O)N(C)CC)CC1 1760269028 VXQHKJPGPKCOLS-UHFFFAOYSA-N 474.569 1.575 30 10 JDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1760299789 HSVQJYDFSGGDQA-UHFFFAOYSA-N 481.395 1.498 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCOCC2)n1 1760495514 PZCYVXJOMXNJOY-GOSISDBHSA-N 458.588 1.639 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1760517689 VKTCVMDDIMMQBJ-MRXNPFEDSA-N 453.503 1.651 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1760522646 YDEVACIQZRIWOA-QGZVFWFLSA-N 474.587 1.174 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1760522980 IOXCWESPEMWJIG-OALUTQOASA-N 468.606 1.202 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](C)(C(=O)NC)C2)cc1 1760530292 RYACVKOZZIWQNS-FDDCHVKYSA-N 473.599 1.756 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1760554297 YYRJJLJUNCJENS-HNNXBMFYSA-N 457.478 1.884 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1766879859 APYAYMROSGOVQT-TZIWHRDSSA-N 451.575 1.578 30 10 JDEE CCOC(=O)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)N=C2NS(=O)(=O)c3ccccc32)CC1 1869929867 OOYWMQDSUGANDE-LJQANCHMSA-N 488.541 1.776 30 10 JDEE C=CCn1cc(OCC(=O)Nc2cccc(Br)c2)c(=O)cc1CN(CCO)CCO 1870432891 XJKZIQPOMXNPJS-UHFFFAOYSA-N 480.359 1.601 30 10 JDEE C=CCn1c(C(=O)NCCCO)cc2c(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ncnc21 1873593183 INNLCACIEYCMCB-UHFFFAOYSA-N 465.514 1.964 30 10 JDEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(O)cc1O 1874336441 BUYVVDVRQCCZDK-GQLBNTDBSA-N 460.560 1.914 30 10 JDEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)OCC(C)C)cc(OC)c1O 1874434870 BFIQSZWXEBFNRA-GZIVZEMBSA-N 465.532 1.811 30 10 JDEE C=CCNC(=O)c1nc(C(=O)N2CCN(Cc3nnnn3-c3cccc(F)c3)CC2)cs1 1890935616 BHWQMOVSNWWEEU-UHFFFAOYSA-N 456.507 1.132 30 10 JDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CC(Oc3cccnc3C#N)C2)cc1 1892060670 GNKOWPMJTWCBFX-OAQYLSRUSA-N 483.550 1.745 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255950282 KKYDLGWQRAXZAK-XJKSGUPXSA-N 453.370 1.572 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1 2267369536 YGSPGYDVPBHOPK-AWEZNQCLSA-N 470.401 1.397 30 10 JDEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267493521 JOJPNXXYAHKPSI-HUUCEWRRSA-N 466.413 1.800 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)n1 2281956371 XMCUPOMZDHFTPA-LSDHHAIUSA-N 463.388 1.928 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=c1nc(CNC(=O)OC(C)(C)C)[nH]s1 2281960827 FLPIARNMLQMCDI-UHFFFAOYSA-N 478.384 1.753 30 10 JDEE CN(Cc1ccccc1)C1(CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCC1 2282327650 LOLKUAMCTKARQR-UHFFFAOYSA-N 475.424 1.447 30 10 JDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1 2282499359 CIGHMYHKLYJHDC-OAHLLOKOSA-N 484.380 1.824 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 2282682974 WZLOTLXJAJOVCI-GJZGRUSLSA-N 463.388 1.928 30 10 JDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282830300 RIXOJJBQLDSWGF-ZBFHGGJFSA-N 484.428 1.643 30 10 JDEE CN([C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282848026 IACPTQMEKUSILJ-XOIINTDNSA-N 482.412 1.205 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282861011 JGLOLQXVPSPKMH-ROUUACIJSA-N 482.408 1.634 30 10 JDEE COc1cc(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc([N+](=O)[O-])c1O 2322614652 LBSDTINORGFBEO-JTQLQIEISA-N 457.852 1.325 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](F)C[C@@H]1CNC(=O)OC(C)(C)C 2337190732 QVKBZDZHSKJIHO-ZIAGYGMSSA-N 452.336 1.797 30 10 JDEE Nn1c(N/N=C/c2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 20292071 POWQFBIPVNAWEW-DJKKODMXSA-N 457.432 1.985 30 10 JDEE C=CCNC(=O)CN1CCN([C@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)CC1 24796613 PEENXFIVVVRAHC-DEOSSOPVSA-N 450.539 1.693 30 10 JDEE CC(C)NC(=O)CN1CCN(C(=O)CSc2nnc(N/N=C/c3ccccc3Cl)[nH]2)CC1 253565218 HLGBJBDWUWOIEE-SSDVNMTOSA-N 479.010 1.665 30 10 JDEE COc1cc([C@H](C)OC(=O)[C@@H]2CSC(=c3nc4c(s3)=CC(=O)C=C4)N2)c([N+](=O)[O-])cc1OC 255983803 KQVRVPOUBLPROI-HZMBPMFUSA-N 489.531 1.520 30 10 JDEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)cc2)C[C@@H](C)O1 609256833 JXXUTVZWXJVDEG-GASCZTMLSA-N 474.514 1.750 30 10 JDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)OCC)cc1Br 917925662 JPTHAVUBEMYPJT-ZDUSSCGKSA-N 464.359 1.437 30 10 JDEE CC(=O)c1ccc(S(=O)(=O)CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1F 1137214951 IEPQDCATYBBCHH-CQSZACIVSA-N 453.492 1.773 30 10 JDEE C#CC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1)c1ccccc1 1230564926 CWORVJPUIWBBNQ-HXUWFJFHSA-N 452.536 1.962 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1286382020 QCBHFNQTYIYEHD-MJGOQNOKSA-N 459.572 1.809 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1286382568 AYMPKJPMZHMLMU-WCAVRKLYSA-N 492.573 1.989 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286387453 FJAMEBXVTWLVBX-OAQYLSRUSA-N 485.610 1.383 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCN(C)C1 1286418890 JYKTXJFRQQZSJQ-QHCPKHFHSA-N 454.962 1.391 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2CCS(C)(=O)=O)CC1 1286488748 SNHOMHKJQROFMD-UHFFFAOYSA-N 494.415 1.718 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOc2ccccc2)CC1 1286489787 BVNNBLYUSOWUJL-HXUWFJFHSA-N 450.543 1.664 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)S[C@@H](C)C1 1286541136 HJXSNORZVDHHNL-IHRRRGAJSA-N 480.454 1.850 30 10 JDEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286543872 CEEHLNBGRKCLSU-HNNXBMFYSA-N 460.336 1.645 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1286821329 HQKKKOFOSULTGU-LJQANCHMSA-N 474.631 1.554 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)CN1CCN(CC)CC1 1300287014 RYPVWPIHBHLUPD-PMACEKPBSA-N 462.606 1.652 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300487169 HGBWWCYQVXVKPK-MSOLQXFVSA-N 457.560 1.201 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@](C)(O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1300495917 KTILJIITOQJIDF-GTCCEBARSA-N 479.002 1.970 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)N(C)C 1300626025 MRRHVLRJGLXJEN-KRWDZBQOSA-N 468.624 1.744 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCN(C)C1 1300676371 NOJHGTXQOMYJNE-IXFSTUDKSA-N 462.595 1.201 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2ncc(C)s2)CC1 1300683789 SWJUXXPTDUDBAR-ZBFHGGJFSA-N 451.622 1.212 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCNC(=O)c2ccc(C)cc2)CC1 1300710952 QRDCYDDWMGDLKU-VXKWHMMOSA-N 466.586 1.496 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CC3(CCOCC3)C2)CC1 1300712371 QJJKPLFDQUDKEA-KRWDZBQOSA-N 492.646 1.061 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1300971616 DMAMYKKVVOQVIS-MRXNPFEDSA-N 486.639 1.975 30 10 JDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1300994368 RHJKZJXPWLHJIO-UHFFFAOYSA-N 487.630 1.970 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1301189241 TXPJRRFZZXRMGN-CEMLEFRQSA-N 492.690 1.915 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1301490624 WVBQRXKIPXPPLR-AWEZNQCLSA-N 470.958 1.558 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1301497292 RWBOLFMKHMBLJW-UHFFFAOYSA-N 450.503 1.210 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)C1CCC(NC(C)=O)CC1 1301509634 JSTZCTASWVGETC-UHFFFAOYSA-N 473.603 1.455 30 10 JDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCCC2)CC1=O 1316126267 CUZFXNLTBLSMFQ-UHFFFAOYSA-N 451.575 1.986 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCCC(=O)NC2CC2)cc1 1316529196 CKFJJQLJIXSMAK-UHFFFAOYSA-N 451.531 1.346 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C1CCCCC1 1358890195 MIXNPJDKXUCFEZ-PKOBYXMFSA-N 452.625 1.333 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(C)(C)O)c1 1358901628 REDDHUKHANVFMT-HNNXBMFYSA-N 462.576 1.106 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CCCNS(C)(=O)=O)c1 1358902263 JBAYMMWWGDLNEU-UHFFFAOYSA-N 458.588 1.931 30 10 JDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358937996 NQIMNCCYGUARIG-IRXDYDNUSA-N 457.560 1.199 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1Cc1cnn(CCOC)c1)[C@H]1CCS(=O)(=O)C1 1358959778 PNIZSEKVSQISAW-FQEVSTJZSA-N 454.556 1.463 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358960981 PMXFEQDLSFXWOW-OAHLLOKOSA-N 456.494 1.461 30 10 JDEE C#CCN(c1nnc(C2CC2)n1Cc1cccnc1OCC(F)F)[C@@H]1CCS(=O)(=O)C1 1358962431 PPLLOIRWJCRVBT-MRXNPFEDSA-N 451.499 1.869 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358966298 MBDBIUWZQOSRKY-GOSISDBHSA-N 459.572 1.189 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(COC)CCOCC1 1358971899 MOYTYORLAGKYDV-UHFFFAOYSA-N 485.610 1.711 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1F 1358977994 BDNMRABTKPHOPN-XLIONFOSSA-N 475.546 1.290 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(Br)n1 1358985263 UILUTXMWIAGFQU-CQSZACIVSA-N 465.377 1.557 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(=O)NCCC)c2)CC1 1359040492 XBPYLILBXQEZKR-UHFFFAOYSA-N 493.612 1.570 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2CCCO[C@@H](C)C2)CC1 1359044361 DEXPONMGKHBJAM-UNMCSNQZSA-N 472.634 1.639 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H](OCC)C(C)C)CC1 1359045922 YGTNICUSGJRRME-PMACEKPBSA-N 479.647 1.597 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1359103792 SKKQYTOIPRRTFI-NQIIRXRSSA-N 477.635 1.639 30 10 JDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1359121971 QFFWUTLMAHNNOR-ROUUACIJSA-N 464.636 1.326 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)c2ccsc2)CC1 1359165709 VCEUULJTCDMDFI-FXAWDEMLSA-N 467.617 1.737 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1359215723 IEJDDIUCFHOWPK-OALUTQOASA-N 490.634 1.472 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C[S@@](C)=O)cc1)C1CC1 1359251829 WXLQSBZNMVAKOL-MQFAKOPTSA-N 493.655 1.693 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccccc1OC 1359301216 VCNKSLDPVDOHPX-AEFFLSMTSA-N 459.572 1.833 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCNC(=O)C1 1359327509 DCAQKYHYJSVJAR-UHFFFAOYSA-N 454.350 1.245 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H]2c2cnn(C)c2)nnc1[C@@]1(OCC)CCOC1 1359335668 RDKJVEFWDVIYMQ-GHTZIAJQSA-N 464.592 1.606 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCC(=O)NCc1ccccc1 1360671593 GYMSWBDQYIRILY-INIZCTEOSA-N 459.576 1.335 30 10 JDEE N#Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NC[C@H]2CCCO2)[nH]1 1446526884 HTSFCVRXRMVFTR-MRXNPFEDSA-N 459.528 1.750 30 10 JDEE CCc1ccc(-c2nnc(N(CCC#N)CCOC)n2CC2(O)CCS(=O)(=O)CC2)cc1 1497860372 HSLVJJSAFOAQQA-UHFFFAOYSA-N 461.588 1.814 30 10 JDEE COC[C@@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1504564410 BHWGPKYTQZTINE-UWJYYQICSA-N 488.614 1.934 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCNC(=O)c1ccc(C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1507631764 SYLKBWZNJJZAPM-GOSISDBHSA-N 484.557 1.777 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCCNC(=O)c1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1507633341 FYVXDVHYHSFQHO-LJQANCHMSA-N 473.599 1.629 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncnn1C(C)(C)C 1507644491 JFCDRAJTAIOIOD-UHFFFAOYSA-N 451.556 1.816 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc(CC)nc1C 1507772775 NGXKHSPCMVVLJE-LAUBAEHRSA-N 462.576 1.510 30 10 JDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 1507830525 FBBOBROQMQKDOZ-QZTJIDSGSA-N 464.567 1.504 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(C(C)(C)C)s1)C1CC1 1507992531 FKLDSDYMCSQUAW-OAHLLOKOSA-N 481.648 1.963 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccccn2)CC1 1508143795 KJNKIRQELQGSRE-UHFFFAOYSA-N 473.628 1.956 30 10 JDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CCN1C(=O)OC(C)(C)C 1512418458 GAPWMMZYNNUGTO-INIZCTEOSA-N 489.602 1.812 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC=C)c1 1539042548 HZCACKTYTWJIMK-HXUWFJFHSA-N 486.598 1.633 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)C(C)C)c1 1539045147 AICWGKPHUGWWOO-UHFFFAOYSA-N 476.585 1.968 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(F)F)cc1 1539178007 DGNOTKFMJIWNAD-INIZCTEOSA-N 455.487 1.330 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1539206919 XAKDOADQPYOJCP-QFBILLFUSA-N 487.420 1.854 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1539229656 GHGXOIZAQZTSPE-IBGZPJMESA-N 472.546 1.828 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1539469963 HZUKUYQJERGANU-QHCPKHFHSA-N 475.597 1.629 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(=O)N2CCOCC2)CC1 1539489238 SPVDNUJRFYSANR-UHFFFAOYSA-N 494.596 1.299 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1539512735 HANHYYPAKSZIPK-UHFFFAOYSA-N 485.639 1.864 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@H]1C 1540879360 AUPPEOMXMJAXNB-JKSUJKDBSA-N 462.576 1.168 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1587562035 KHLWDDVMFFCWNK-HZPDHXFCSA-N 450.536 1.955 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN(C)S(=O)(=O)CC 1587621284 QTKIGBZXOSEVOC-MRXNPFEDSA-N 471.587 1.322 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCCO[C@H](C)C2)c1 1587692732 JXKHEMNCZDDRCQ-KNQAVFIVSA-N 493.612 1.786 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588053386 DQCSSTAIONDISE-IPMKNSEASA-N 495.646 1.960 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1588065446 YRSKTVKWBLDOOZ-YADHBBJMSA-N 486.642 1.247 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(=O)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1588074449 MTESNLHXIYIRTQ-VQTJNVASSA-N 471.583 1.415 30 10 JDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCn2ccnc2C1 1588673036 KYMDSVMMMFIWAL-QGZVFWFLSA-N 453.572 1.815 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccnc2OCCC)CC1 1588961693 JATICMZXNUDARX-UHFFFAOYSA-N 479.585 1.598 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1589394753 OFCOITKGVCZQGK-AWEZNQCLSA-N 477.323 1.768 30 10 JDEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)CC1 1593746634 KEWRISXCNAKEFA-LJQANCHMSA-N 478.594 1.848 30 10 JDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1594449445 YQPUJSKRKBEESQ-LJQANCHMSA-N 457.623 1.859 30 10 JDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N1CCN(c2ccccc2)CC1 1594839018 BOGNFDVYXNXXOS-UHFFFAOYSA-N 460.542 1.896 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1595551149 MNJWMVGNISGKML-QAPCUYQASA-N 480.566 1.250 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2C[C@H](OC)[C@H](OC)C2)cc1 1595613225 AARDQSPLIRMKTB-YSIASYRMSA-N 462.572 1.643 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1595777011 HDMWCDABKGFUFG-UHFFFAOYSA-N 456.572 1.865 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1595789388 RQPSGZKYGXRVDH-UHFFFAOYSA-N 478.582 1.530 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1nccs1 1611583594 GYKVIQJHGMRFHJ-QLFBSQMISA-N 453.594 1.610 30 10 JDEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)c1=O 1615731960 FDIGYIPGKAXYAB-KRWDZBQOSA-N 461.526 1.626 30 10 JDEE CN1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CC1(C)C 1618487730 FDGKPZXQWCZIMH-IBGZPJMESA-N 463.652 1.336 30 10 JDEE COc1ccc(OC)c(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)c1 1619308243 FSBLLBYSGFQHKI-BEFAXECRSA-N 478.575 1.272 30 10 JDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCCN(C)C)[C@H]1CCS(=O)(=O)C1 1621639601 OYOHPZLOIPGVGE-HOTGVXAUSA-N 452.017 1.990 30 10 JDEE C#CC[C@]1(C(=O)N2CCN(C[C@H]3CCCS3(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 1631268574 BZRRWVYWSXKMHW-XMSQKQJNSA-N 453.605 1.501 30 10 JDEE Cc1cn2nnc(C(=O)N3CCN([C@@H](C#N)c4ccc(Br)cc4)CC3)c2c(O)n1 1633103407 CNVCUTLPJCNPAT-HNNXBMFYSA-N 456.304 1.924 30 10 JDEE C=CCn1c(O)nnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1641003715 SEYUHXQSJYFXIH-UHFFFAOYSA-N 457.965 1.448 30 10 JDEE CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1CCC[C@@H](C#N)C1 1655541646 BQLJADOSLZUWAK-KRWDZBQOSA-N 450.561 1.669 30 10 JDEE C=CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1660839374 SGVMJYQZAKBWGQ-UHFFFAOYSA-N 450.604 1.001 30 10 JDEE CN(c1ccc(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1)S(C)(=O)=O 1678366542 GPLYWNTVPXPOJE-WBVHZDCISA-N 451.549 1.641 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1689868987 XSZHJNKOBFMADG-SFHVURJKSA-N 486.598 1.297 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCOc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1689988472 PREYXKSUBLQXBA-RTBURBONSA-N 471.583 1.552 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689996632 LEFMBZPTCVHYRW-QGZVFWFLSA-N 463.535 1.101 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1690092359 FRBBYMXNEHZJIL-GOSISDBHSA-N 455.563 1.171 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@](C)(O)CC)CC1 1690136399 DDDLLDKMAFWDKE-XMMPIXPASA-N 487.004 1.988 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC2(F)CCC2)CC1 1690137225 QUKAIBWXRZMCQB-OAHLLOKOSA-N 454.572 1.136 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC(C)C)nc2)CC1 1690142928 YJOZDHUEWHVLID-UHFFFAOYSA-N 460.542 1.931 30 10 JDEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CCOC)C(=O)C1 1690170095 ZBJNLXPBDYTLSU-UHFFFAOYSA-N 465.583 1.792 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C(C)C)CC1 1690174973 NHFGUXOHODQLFF-KRWDZBQOSA-N 453.634 1.241 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1690175363 VLSULQLNOUGZPO-CQGGRAHPSA-N 466.654 1.920 30 10 JDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1690177571 ZLFMEXGPSBHYHC-NRFANRHFSA-N 482.654 1.987 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NS(C)(=O)=O)CC1 1690254604 DTKIFIJMZNOZAW-BWPNAZKDSA-N 483.635 1.501 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1690670421 BFGWDJJGCWDHOB-HKUYNNGSSA-N 459.572 1.530 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnn(C)c1C 1690672204 LJLHVXMNLQMZFL-GOSISDBHSA-N 488.593 1.567 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1690722183 ALLOBSNQMKWJKS-UHFFFAOYSA-N 450.565 1.931 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1690744367 NMOMIOHDHMVABY-ZBFHGGJFSA-N 454.622 1.140 30 10 JDEE CC(C)(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1691201893 DIQHYPQENHTMEI-HSZRJFAPSA-N 488.614 1.199 30 10 JDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1705531788 WQVGNDPLNHZEOD-SFHVURJKSA-N 498.609 1.635 30 10 JDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705553170 URPVWYWEIXPMRO-OAQYLSRUSA-N 479.633 1.464 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(CCOC)CCC1)[C@@H]1CCS(=O)(=O)C1 1705558672 DTPAJUGNMWERDJ-QGZVFWFLSA-N 451.593 1.250 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1705558758 HGHXRGKYGMEHSD-LAUBAEHRSA-N 453.609 1.230 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCN1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1705558961 NFTIIUJYKVMCFM-FQEVSTJZSA-N 484.626 1.496 30 10 JDEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705564574 CNTBPCMKLJKDPH-UYAOXDASSA-N 486.646 1.029 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705565584 HTPUYJIFESHEFK-QZTJIDSGSA-N 462.620 1.120 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N1CCOCC1 1705619424 QHVWWTCXELONGH-UHFFFAOYSA-N 491.527 1.953 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2csc(COC)n2)CC1 1705645134 LUVIQKOREHSNFH-QHCPKHFHSA-N 488.614 1.547 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCS(=O)(=O)c2ccccc2)CC1 1705650413 QJLRGFMVHXNVTB-UHFFFAOYSA-N 455.584 1.670 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1705830173 KOOUIQPTRKVGPC-HXUWFJFHSA-N 473.599 1.735 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705896463 NOJMZYFIEDVATJ-UHFFFAOYSA-N 466.546 1.660 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1705896549 QGPKKBTXZFGLMX-UHFFFAOYSA-N 476.603 1.506 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1705899959 LSGPFTNARLFYST-IBGZPJMESA-N 466.590 1.165 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1705900581 IVRNCEQTAYSMEG-UHFFFAOYSA-N 454.579 1.646 30 10 JDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1722315871 VHIJBAXXGXGTJJ-OALUTQOASA-N 462.620 1.864 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1722372112 PLDNPEKCJINQHG-FCHUYYIVSA-N 487.674 1.887 30 10 JDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722479892 MGJZNHGJBLYJLA-KGLIPLIRSA-N 451.387 1.924 30 10 JDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1722531249 JGBACBABHMYGQW-UHFFFAOYSA-N 473.559 1.573 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722696101 BCFKGZOHUPWMSV-LJQANCHMSA-N 471.993 1.644 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1722696552 BLBSHIAOXPQHDF-UHFFFAOYSA-N 452.494 1.512 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1722698666 JTUUXDXUSMQDHO-JTUYAUNFSA-N 490.605 1.486 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1722701841 GHQPWCUASVSDJF-UHFFFAOYSA-N 483.536 1.624 30 10 JDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCN(S(C)(=O)=O)CC1 1722708112 KCBKBMJYNINHIN-UHFFFAOYSA-N 474.587 1.095 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1722752184 YCLQQOBXDYUDJD-OALUTQOASA-N 493.655 1.888 30 10 JDEE CN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1729431669 DBAWJSZBSHVUBO-GOSISDBHSA-N 469.571 1.923 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1740620504 PSILABWEIGKZEN-DFYVNMARSA-N 482.031 1.921 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1Cc1c(CC)nn(C)c1OC)[C@H]1CCS(=O)(=O)C1 1740621854 ZWWYWMYFDGIZDQ-SFHVURJKSA-N 468.583 1.925 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740622528 ZCVYUOHCBTXYMP-ZWKOTPCHSA-N 461.563 1.432 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1nc(C(F)(F)F)cs1)[C@@H]1CCS(=O)(=O)C1 1740627828 SPTXOAXLZRXYRH-QWHCGFSZSA-N 475.518 1.932 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCOC(C)(C)C2)CC1 1740697327 AJXCGDMCOYFCNS-UHFFFAOYSA-N 486.642 1.215 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](OC)C(C)C)CC1 1740703500 VGHONXRLSNZEIU-OAQYLSRUSA-N 487.626 1.985 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](C)COC)CC1 1740703928 HHMZGZCDHSDHRT-KRWDZBQOSA-N 453.543 1.965 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccco2)N(C)C)CC1 1740704945 XLQZLIWYLRDFKU-IBGZPJMESA-N 450.547 1.540 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@](C)(O)CCOC)CC1 1740707354 ZBHSDICADJKPES-JOCHJYFZSA-N 460.604 1.387 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1740720301 UIUCQEVETKVPDQ-FQEVSTJZSA-N 470.647 1.249 30 10 JDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740886810 STPYMHRIHWPSDI-HXUWFJFHSA-N 453.547 1.623 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740923290 IJWZNZDPFSUOPE-IRXDYDNUSA-N 499.684 1.716 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1740960330 PJWZZUIDJAWUCS-FUHWJXTLSA-N 479.990 1.714 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](C)(C(N)=O)C2)cc1 1740967751 PDZIRZKTQBGTDK-VGOFRKELSA-N 459.572 1.495 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1740985425 HTDAKRWLSWPBBE-XWSJACJDSA-N 469.608 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1.863 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1359294020 IARLWZVWUGILDM-KRWDZBQOSA-N 455.519 1.314 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1359299650 KLNAVUQSTLTBEL-PXNSSMCTSA-N 467.574 1.423 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CC(=O)N(c3ccccc3)C2)C1 1359313791 RICOWJYVTAMHIA-WSTZPKSXSA-N 488.614 1.723 30 10 JDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cc2c(cc1OC(F)F)OCO2 1446097703 HEVBMMJPIYMDID-UHFFFAOYSA-N 453.423 1.762 30 10 JDEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2ccc(I)c(Cl)c2)c1=O 1472955404 DOCALJWPHLFTHA-UHFFFAOYSA-N 459.671 1.850 30 10 JDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CCN1CC(F)(F)F 1494251578 AMYQGGJCTAWLRB-MRXNPFEDSA-N 477.491 1.748 30 10 JDEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1494657262 BFITZPRFCSGHQQ-KSFYIVLOSA-N 475.571 1.282 30 10 JDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC(C)(C)C1 1499328516 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451.575 1.392 30 10 JDEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCS(=O)(=O)CC1 1507745499 ZFQFEAGRUBWHBY-UHFFFAOYSA-N 458.407 1.647 30 10 JDEE C=C(C)COCCn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507849593 YWKWYYLNMGMCMS-RUZDIDTESA-N 491.633 1.987 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCCN(Cc2noc(C)n2)CC1 1508086110 LENHOQYBFCLOSK-UHFFFAOYSA-N 468.537 1.714 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1508136525 TYKRYPNJYIGNBE-INIZCTEOSA-N 477.587 1.620 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1517127254 DKLDBDGXNVQDAQ-GOSISDBHSA-N 452.544 1.525 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 1534591981 ONRCIWNMQDEOKW-HZPDHXFCSA-N 458.602 1.692 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CC[C@H](CO)O2)c1 1539046532 VIJFHVAZWUWKNP-DXKRWKNPSA-N 483.569 1.598 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cc(Cl)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1539200802 ORWCHESDVCJZNE-GOSISDBHSA-N 492.001 1.851 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)CN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1539223151 ZGGPSVMOPXIAHW-YPAWHYETSA-N 492.690 1.072 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1539231663 WNGIEFIPYIBJNI-PZJWPPBQSA-N 499.637 1.613 30 10 JDEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1539288296 CUUYIZZCEOFUGL-DEOSSOPVSA-N 470.595 1.911 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(NC(C)=O)nc2)CC1 1539466925 JMVZSFVSYSIKHU-UHFFFAOYSA-N 494.600 1.564 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ncccc2C)CC1 1539467525 TWDJDARILBGWOO-UHFFFAOYSA-N 458.526 1.643 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOCC 1539631319 KTJBXHAIXAEKGE-BZSNNMDCSA-N 457.597 1.065 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1539744728 UVGWTEHECZYLRW-IBGZPJMESA-N 492.577 1.472 30 10 JDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1539985089 DQRZJCAIOAQTGJ-MJGOQNOKSA-N 458.588 1.876 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCSC1 1540146353 DOMIMMLTFJDKHC-YLJYHZDGSA-N 499.684 1.733 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1540916919 JUUJRGUNHQGWRW-VQTJNVASSA-N 482.720 1.704 30 10 JDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)OC(C)(C)C 1546587151 FPMSDLHVEUQXAZ-SFHVURJKSA-N 469.546 1.968 30 10 JDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1548314592 FMBFTELXFIZXJR-IBGZPJMESA-N 492.627 1.256 30 10 JDEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO2)C1 1555814227 DAOADBBGNCRGEW-AZUAARDMSA-N 474.587 1.673 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC2(NC(=O)OC(C)(C)C)CCOCC2)c1 1584697643 WUCOLOWGVGLTGQ-UHFFFAOYSA-N 453.561 1.955 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1587639441 LUWDEWIZCYNQIG-GCKMJXCFSA-N 489.598 1.449 30 10 JDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCS(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588034329 DHHVAOOPZIFGMR-UXHICEINSA-N 493.655 1.338 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCNC(=O)Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1588045244 HVDHBYLBFPXMLU-HXUWFJFHSA-N 498.584 1.408 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1588074830 SUMYRTPFIXFJMN-FSGKZVOOSA-N 466.604 1.444 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)N(C)C)CC1 1588908502 RUTYYVULVWNDHY-QGZVFWFLSA-N 454.575 1.878 30 10 JDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1593636734 REUQGPPHRBSRMT-GOSISDBHSA-N 486.577 1.749 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1593696357 NXWGHRLZMRUODL-TZIWHRDSSA-N 496.616 1.507 30 10 JDEE C=CC1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCNS(C)(=O)=O)CC1 1594228956 FDFQBGIZYDYUKZ-UHFFFAOYSA-N 481.648 1.580 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1595219590 XKZNUAIHBNYQQT-NNMXDRDESA-N 465.620 1.995 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1595796553 AGKSIHVKXNENCU-SFHVURJKSA-N 464.592 1.310 30 10 JDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1595838020 ISZWPMDJNBWLBL-UHFFFAOYSA-N 463.652 1.470 30 10 JDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)C1 1620158669 FPCAEGXKRQKWTE-PZJWPPBQSA-N 488.614 1.199 30 10 JDEE N#Cc1sccc1N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 1620417004 GLMKKQUKKHMFCQ-UHFFFAOYSA-N 459.597 1.275 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)CSc2nnc(-c3ccco3)n2CC(=C)C)CC1 1628146582 LRNOHWBGMDXDOV-UHFFFAOYSA-N 456.572 1.490 30 10 JDEE C#CC[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 1653096848 SUIIOGLPLBCNBC-NRFANRHFSA-N 456.524 1.782 30 10 JDEE N#Cc1ccccc1N1CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1676810075 GGJMJSZJYMHRAZ-UHFFFAOYSA-N 456.528 1.328 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCOCC1 1689853409 SGNCSSZQZIPRNO-FHWLQOOXSA-N 462.595 1.765 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2nnc(CC)s2)c1 1689873555 NGBZNWROYWMLKX-UHFFFAOYSA-N 478.582 1.919 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)(F)F)CC1 1689892976 RFBLQLJHSFBUMN-MRXNPFEDSA-N 478.541 1.099 30 10 JDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1689948240 UAUKLVCMEMXMEQ-XMMPIXPASA-N 453.591 1.585 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1689982574 QGKVFBTYWIHUCK-JSGCOSHPSA-N 456.366 1.697 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCOC[C@H]1OC 1690003851 ZPIMOKZQFJXHRL-RTBURBONSA-N 470.599 1.671 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCS(=O)(=O)CC1 1690019454 JDXSOUNBCINZAZ-IBGZPJMESA-N 491.614 1.484 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CCOC[C@@H]2C)CC1 1690115167 VTJUKJGJXNBGRL-IBGZPJMESA-N 454.575 1.438 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[C@H]2N2CCCS2(=O)=O)CC1 1690137133 OFTBHHBNQWBZEM-VQTJNVASSA-N 490.674 1.746 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)CC1 1690140402 XJRYNUKORWQNAE-YTTGMZPUSA-N 450.568 1.694 30 10 JDEE C#CCSCCn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690187046 YYHLIKODMUNDDN-SFTDATJTSA-N 468.645 1.700 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(C(C)=O)C1)C1CC1 1690544767 ANLIOXYZNYFTCJ-HKUYNNGSSA-N 466.608 1.024 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1COCCO1 1690560281 RSAJCKZQAHGPHF-PMACEKPBSA-N 457.556 1.660 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1690666652 BWFUVUSEXUEACL-INIZCTEOSA-N 462.576 1.022 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1690668173 WDGSPYCMXWMHRE-UHFFFAOYSA-N 451.453 1.537 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1690676058 OPCXWVBVIWASTD-HOOSLVGPSA-N 471.558 1.941 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCOC[C@@H]1C 1692793520 BRBBTJFUTJUSBX-JENIJYKNSA-N 488.618 1.154 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1696487851 DKLBJDWSKOVIBO-UHFFFAOYSA-N 462.580 1.322 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Cn1cccn1 1705494799 GAZOQNSORMIROQ-WIYYLYMNSA-N 483.598 1.362 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705559329 YAMAANJXPSFQHX-GOSISDBHSA-N 452.625 1.162 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1CCN(CC(F)(F)F)CC1)[C@@H]1CCS(=O)(=O)C1 1705566762 QZPGUBPPJSTGJV-GOSISDBHSA-N 499.563 1.580 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCCc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1705568219 JKWHICVHNLVEDL-GOSISDBHSA-N 490.655 1.815 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1705571445 ZJHNCAUSTSEORF-RTWAWAEBSA-N 456.616 1.765 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1705580049 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488.614 1.845 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C2CCCC2)CC1 1722728938 UAXLEZPLLWLFIT-SFHVURJKSA-N 485.676 1.236 30 10 JDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCc1cnn(C)n1 1722873871 FUGXBIMZUGZRSF-JKSUJKDBSA-N 456.576 1.836 30 10 JDEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(O)CCO[C@@H]2C)c2ccccc2c1=O 1728639495 ARGPGCCPFSFJKE-CKNGIIGNSA-N 451.531 1.953 30 10 JDEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)CC1 1729799112 DZLUWZCMFAQBEJ-UHFFFAOYSA-N 479.497 1.640 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(O)CCS(=O)(=O)CC1 1740536388 GCCAPBKNPROXKO-AWEZNQCLSA-N 454.499 1.944 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1740629376 LKWZIFPXXYIHTE-GBESFXJTSA-N 470.574 1.514 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1740632404 QVCQMDNJMALWRG-QGZVFWFLSA-N 460.531 1.570 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)Oc2ccc(F)cc2)CC1 1740690938 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493.616 1.954 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1508073147 MDYONZSEYMBBFM-CYBMUJFWSA-N 476.379 1.833 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1508079564 ZCEBIQAIFQGMLI-FQEVSTJZSA-N 498.584 1.482 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1508098211 YGJVEHUAXCYXMA-SCTDSRPQSA-N 494.593 1.034 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1508116693 IHCSXMKYQUWQBQ-AZUAARDMSA-N 454.579 1.459 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1508145736 OZEQDDWWEQIKLR-UHFFFAOYSA-N 452.602 1.884 30 10 JDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)C1 1517680490 FDUIHIGNNFAWGF-LJQANCHMSA-N 468.558 1.839 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1539203530 RQMWUTNFAMYQSI-GOSISDBHSA-N 461.592 1.028 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1539219687 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1588961772 LNHRDDJYCAJLTM-DFBJGRDBSA-N 467.570 1.405 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1589394955 QEDQQXAQLXQYNW-FHLIZLRMSA-N 494.438 1.517 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)NC)C1 1589483233 NPVAJYVIWKVCGR-LMMKCTJWSA-N 453.547 1.869 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1589493566 HXLWGHRKQUCAME-QUXXCFOZSA-N 483.635 1.644 30 10 JDEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ncn(C)n2)CC1 1594202065 FCIQPJUNFPJXIN-UHFFFAOYSA-N 456.576 1.775 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1595489124 CWAPOHCZGZXJLT-MRXNPFEDSA-N 459.348 1.821 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1595551461 QYALXVHIUNZWDQ-SJLPKXTDSA-N 478.644 1.427 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](c2ccnn2C)C1 1595577026 GSKDPDQKOBUHGQ-INIZCTEOSA-N 468.587 1.689 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1595593474 DZBQZXLQJBSRFN-UHFFFAOYSA-N 496.547 1.732 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1595603064 XAJMNRZYXSKLET-CVEARBPZSA-N 482.607 1.276 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1595789231 PUCNOASULREAFB-GOSISDBHSA-N 487.630 1.038 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](N2CCCCC2)C1 1595821623 CAMIDENZJKKZJI-GOSISDBHSA-N 492.671 1.935 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](O)CC2(CCCC2)C1 1595821824 CXQQDFZOSMRBMH-LJQANCHMSA-N 462.620 1.872 30 10 JDEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1C 1615759558 CPEYYFNPJDULCN-PNLZDCPESA-N 458.588 1.285 30 10 JDEE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 1624813440 IBEQNRFWZZSXBQ-JJRVBVJISA-N 452.533 1.237 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)s1 1634101775 GHXXWKXVFWXEOI-HOTGVXAUSA-N 455.602 1.984 30 10 JDEE C#CCN(C(=O)NCCC(=O)Nc1cc(Br)ccc1C)[C@@H]1CCS(=O)(=O)C1 1676813333 HVNNNYGVFHUHEK-OAHLLOKOSA-N 456.362 1.918 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1689851600 SSYXLARFLUNKJA-UHOSZYNNSA-N 461.588 1.613 30 10 JDEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1689903875 BVPJYZUTIOCPGF-UHFFFAOYSA-N 498.559 1.307 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1689981755 AQRYXNYDPCKAQJ-AOMKIAJQSA-N 493.536 1.652 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1689981790 BEUQLXDOSZJWLS-LJQANCHMSA-N 471.583 1.639 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689986504 RFJVGXCAXOLFMV-MJGOQNOKSA-N 455.584 1.795 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccnc(OC2CCOCC2)c1 1690000151 SYUYCHFTBOEQIC-UHFFFAOYSA-N 471.521 1.999 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccc(F)cc1 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C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1690644486 ODAMFERARIGSEB-INIZCTEOSA-N 459.532 1.082 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCS[C@@H](C)C1 1690668815 KGJLRPSUQLWSHU-HNNXBMFYSA-N 453.572 1.919 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cccs2)CC1 1690714408 MCTGFINHSOPBSJ-UHFFFAOYSA-N 466.633 1.401 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1690724672 UEERSCMXKWDPIO-GOSISDBHSA-N 471.649 1.541 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1690729227 JMOJTIVMEKLLEX-KRWDZBQOSA-N 489.568 1.813 30 10 JDEE COCc1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)cs1 1697828966 FRXQHWXDCRLGCB-UHFFFAOYSA-N 487.611 1.940 30 10 JDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)C1 1698301560 GNISZFVXVCVDNJ-HXUWFJFHSA-N 486.598 1.755 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1705560518 LFVGVNODPNCPHO-NRFANRHFSA-N 495.609 1.979 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccnc1OCCC)[C@H]1CCS(=O)(=O)C1 1705571688 GAJCAMFLQVXWLP-RBUKOAKNSA-N 459.572 1.988 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C)C1=O 1705583422 XUZPEZPYHKRVTC-SBUREZEXSA-N 456.547 1.138 30 10 JDEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@]1(O)CCS(=O)(=O)C1 1705607367 ALDCKKIDYKBEPG-MRXNPFEDSA-N 459.391 1.778 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1705612337 FCXLNDVTEZPWRM-VXKWHMMOSA-N 471.627 1.931 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)N(C)CC)CC1 1705643979 DYQWHNFVSCZZBQ-UHFFFAOYSA-N 479.585 1.591 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1705888351 SQNRGLFGQSVKMV-UHFFFAOYSA-N 460.604 1.525 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cnn(-c3ccccc3)c2)C1 1705915191 ISSRXLUQFZBRFO-PXNSSMCTSA-N 471.587 1.904 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722358970 HKBFCCGUQVKALK-GOSISDBHSA-N 461.975 1.751 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1722372384 VQOLRWHJZSTOKG-JXFKEZNVSA-N 451.618 1.313 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1722693233 HOPBLCBHXRMEGW-UHFFFAOYSA-N 470.574 1.959 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1722724989 BSUCYPGJEYZYGK-FUHWJXTLSA-N 459.572 1.612 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1722726446 FMWAQPPFXWTDLN-UHFFFAOYSA-N 463.608 1.940 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(CC(N)=O)CC1 1722730206 LGMZKVLBABACBX-UHFFFAOYSA-N 470.599 1.974 30 10 JDEE CC(C)[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1723103082 GJWAODYEWRGHNW-HSZRJFAPSA-N 452.563 1.401 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1(=O)=O 1729409182 CEURRDYMDJUQOL-OALUTQOASA-N 477.612 1.656 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2C)CC1=O 1730798891 HGVADVVGUCBUFX-UYAOXDASSA-N 468.558 1.696 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COc2ccccc2)C1 1740591413 PAUHYFVGSXQUCF-PZJWPPBQSA-N 473.599 1.930 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccn(C)n2)CC1 1740694974 ZEITYLYTJBUZBJ-IBGZPJMESA-N 468.606 1.930 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](Cn2cccn2)C1 1740961977 OGFFKQDBSOAQJR-IBGZPJMESA-N 451.531 1.282 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1740963741 VZBFQQMQVZQYHB-UHFFFAOYSA-N 467.574 1.428 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(=O)N2CCOCC2)C1 1740977697 JOLIGAOWHXCVMC-SFHVURJKSA-N 457.531 1.602 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1740992699 SXFNLCOQCJSKNV-KRWDZBQOSA-N 479.628 1.797 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1741002668 KIAVVAAGJZEHHM-MOPGFXCFSA-N 496.703 1.232 30 10 JDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)Cc2ccccc2)CCOC1 1746733185 FCTOSSCJIGWKKW-DENIHFKCSA-N 475.571 1.274 30 10 JDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)OC)CC1 1748703700 XEFWGBHKJWALEK-UHFFFAOYSA-N 474.587 1.887 30 10 JDEE C#CCCCCn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@]1(OCC)CCOC1 1748727911 ZCGXIRCVVXYLHN-HOKHCIIBSA-N 472.634 1.723 30 10 JDEE C#CCCCCn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1748731119 UVIRBTZWMDTLIB-XMMPIXPASA-N 467.574 1.554 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1748751321 FZMUNFGJZDZCEZ-DLBZAZTESA-N 467.592 1.324 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 1748801794 GUECBMQCEVBXND-SFHVURJKSA-N 459.547 1.637 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1748803866 AMYJLUJHFZSWNL-RDJZCZTQSA-N 463.535 1.272 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1748805099 OGGNYJHQJKPAGB-AVRDEDQJSA-N 475.571 1.009 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1748815445 QMNNRSMHLLOOLX-HKUYNNGSSA-N 457.556 1.243 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccccc1S(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748821049 LQEHRYXHUYYDIP-LJQANCHMSA-N 491.639 1.156 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1748846179 FAIPKQYITNOCAQ-LJQANCHMSA-N 473.599 1.820 30 10 JDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1748912804 IWKXCPLVXCVAST-QHCPKHFHSA-N 458.563 1.644 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1748979812 NZMCUSFKMHUKLO-YADARESESA-N 488.658 1.748 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CC(F)(F)CO2)CC1 1749015429 DKNZLSLYUQUKDS-SFHVURJKSA-N 461.517 1.530 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1COc2ccccc2O1 1749022057 DHETVUNCHHRSCG-CVEARBPZSA-N 465.601 1.531 30 10 JDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1749227033 YJDMWVYLSMWKFZ-CABCVRRESA-N 453.565 1.856 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1S(C)(=O)=O 1749554138 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GWIKKYORYKPVKS-UHFFFAOYSA-N 492.716 1.986 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2ccn(C)n2)c1 1766940555 BMYFDLMQZIEODS-OAQYLSRUSA-N 472.550 1.614 30 10 JDEE N#Cc1nnn(-c2ccc3c(c2)OCO3)c1NC(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 1870151580 ZXWMVCBIBNPCNI-ZDUSSCGKSA-N 460.406 1.557 30 10 JDEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC(O)(C3CCN(C(=O)C(F)(F)F)CC3)C2)C1 1892695662 RGUOUHMPLUNKGB-UHFFFAOYSA-N 461.481 1.974 30 10 JDEE C[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)N1CCN(C(=O)OC(C)(C)C)CC1 2180979762 AQGUSNPYYDVJLN-OAHLLOKOSA-N 461.372 1.656 30 10 JDEE C[C@@H](CN(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2255753037 NASMDXRFAQLHRJ-ZDUSSCGKSA-N 458.390 1.253 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2267184012 KDIMEYCQVFMMJN-GOEBONIOSA-N 450.341 1.927 30 10 JDEE C[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C(C)(C)NC(=O)OC(C)(C)C 2267369967 DXKHDYFRKXGDPF-CYBMUJFWSA-N 472.417 1.689 30 10 JDEE CO[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2267719387 FQEUXGUBYUIKRF-GJZGRUSLSA-N 488.437 1.960 30 10 JDEE CO[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268712250 RKHSCIZYMTUYRJ-QWHCGFSZSA-N 468.385 1.612 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2272028299 HSKDBRAZXOMLAT-MRXNPFEDSA-N 487.623 1.913 30 10 JDEE CC(C)(C)OC(=O)NCCN1CCC(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2281926241 LIRQQXJWIQBCQE-UHFFFAOYSA-N 463.388 1.428 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]1(CO)CCN(C(=O)OC(C)(C)C)C1 2281962794 DABRCEVICMDFQV-JOCHJYFZSA-N 464.372 1.304 30 10 JDEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C2)C1 2281981979 KJFMQVKHLYNRRG-JOCHJYFZSA-N 462.356 1.561 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(OC)CN(C(=O)OC(C)(C)C)C1 2282605241 DQRQISKFIXTWJQ-UHFFFAOYSA-N 464.372 1.568 30 10 JDEE Cc1c(C(=O)N[C@@H](C(=O)O)[C@@H](C)OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 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C=C(CO[C@H]1[C@@H](O)[C@H](CO)O[C@H](OCc2ccccc2)[C@@H]1NC(C)=O)C(=O)OCc1ccccc1 1084293264 ZYOBKAWAUGVIPQ-YBTKJZEMSA-N 485.533 1.471 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(N3C(=O)CNC3=O)c2)ccc1F 1128893909 PURZFPSGFPXAOL-UHFFFAOYSA-N 450.423 1.738 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)c1 1138582682 IHRHFMCLWBZJIW-UHFFFAOYSA-N 452.458 1.974 30 10 JDEE N#Cc1ncn(CCNC(=O)C2(S(=O)(=O)c3ccc(Br)cc3)CCCC2)n1 1271805042 AWZYHZGYGVJKHV-UHFFFAOYSA-N 452.334 1.815 30 10 JDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286355871 CSXRLHUCOZOXOE-UHFFFAOYSA-N 470.599 1.758 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1nnc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 1286389954 UEANVIXQTAVXTL-UONOGXRCSA-N 477.616 1.053 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C(C)C)N1CCCC1 1286447862 OBPWHWBRLOEONF-MOPGFXCFSA-N 452.625 1.191 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCS(C)(=O)=O)CC1 1286488256 LWZATLBLAOKWMI-UHFFFAOYSA-N 481.582 1.346 30 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478.571 1.295 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](COC(C)C)C1 1301496587 DKQKYWDGJKHKIC-SFHVURJKSA-N 495.584 1.607 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(c2ccccc2)C1 1301568688 ITJFJKOHINVLLD-UWJYYQICSA-N 497.643 1.241 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1301587373 UURNZGKFUTYNAB-SFHVURJKSA-N 476.603 1.968 30 10 JDEE COc1ccc(CCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1315454318 GQIMRHPOPLOGJB-XZOQPEGZSA-N 473.599 1.752 30 10 JDEE COCCN1C[C@H](Cn2c(COc3ccccc3F)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1316121399 GMSROIKCYVMXIL-OPAMFIHVSA-N 460.485 1.933 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 1358904654 JBCTYYWAAJXBLU-QGZVFWFLSA-N 456.576 1.285 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCCCC2)CC1 1358930246 QTMVISRTPKIMLC-FQEVSTJZSA-N 464.636 1.479 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1358957031 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C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359096665 FITPLVTVKYECRS-QFBILLFUSA-N 463.608 1.520 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCC(OC)CC2)CC1 1359165374 NISLYZOUTFCWLY-ACBHZAAOSA-N 453.609 1.973 30 10 JDEE C=CCCOCCn1c(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)nnc1C(C)(C)C 1359229271 DEBQCPPIYYCEBJ-UHFFFAOYSA-N 465.624 1.721 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1359299652 KLNAVUQSTLTBEL-YLJYHZDGSA-N 467.574 1.423 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359305011 QRIZTHWSGYXWRE-UHFFFAOYSA-N 470.574 1.863 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)C1 1359357291 CKRAAVSAKBAMJM-FYYLOGMGSA-N 465.602 1.968 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC1(S(C)(=O)=O)CCCC1 1360677819 HGPWUGRXAFXTAS-HNNXBMFYSA-N 472.637 1.376 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1Cc1ccco1 1360703712 CGCFWZKJOUCMKN-OAHLLOKOSA-N 473.534 1.867 30 10 JDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1467932743 OQHWSEAGIIAFNO-UHFFFAOYSA-N 456.542 1.059 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(S(C)(=O)=O)cc1 1507538660 ONXPMNHYUODMQG-HZPDHXFCSA-N 466.585 1.121 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1507562989 CCCCIMRTWQJUDM-RTBURBONSA-N 494.662 1.546 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCSc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507623093 QXIAMPOTNNTMGM-GOSISDBHSA-N 473.624 1.933 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1507623602 UQHMMINTKXLYTR-NVXWUHKLSA-N 473.534 1.361 30 10 JDEE C#CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1507626340 FICLGGZGHATASW-KRWDZBQOSA-N 475.640 1.990 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)Nc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1507632697 PEYOBLMXZKLZRA-ROUUACIJSA-N 484.582 1.111 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1507639007 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C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1508078941 LRTLWVFZMJQTIT-OAQYLSRUSA-N 465.558 1.975 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1508092260 YNRBHKHJBCPZDZ-INIZCTEOSA-N 475.594 1.362 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1508093216 UMCRCPZOUFKWDF-SFHVURJKSA-N 472.594 1.888 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](C)(C(N)=O)C2)cc1 1508096495 HCXQFNWYTUKKFS-QVKFZJNVSA-N 462.576 1.203 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1508140692 PLQCAGBLNHTEBH-KKSFZXQISA-N 477.591 1.383 30 10 JDEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1512543848 BPBXYMOKZYMUOE-SJLPKXTDSA-N 460.560 1.235 30 10 JDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1516963671 AUOSIRUQUKRJGE-MRXNPFEDSA-N 493.490 1.712 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(OC2CCCC2)c1 1539013072 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C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@]1(O)CCS(=O)(=O)C1 1539405889 PCFRCAOCYUBIHN-JOCHJYFZSA-N 455.540 1.129 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCS(=O)(=O)NC)CC1 1539436158 LPHISABSYPCMJQ-UHFFFAOYSA-N 476.603 1.045 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCCN2C[C@H](C)C[C@@H](C)C2)CC1 1539460109 WMEXQNLFANQIBD-FGZHOGPDSA-N 455.651 1.914 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2ccccc2F)CC1 1539482475 TXAAIRGAKWDCAG-FQEVSTJZSA-N 487.601 1.918 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCCN2CCN(CC)CC2)CC1 1539484205 GXVUXTILBFKGHA-UHFFFAOYSA-N 483.686 1.924 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ncccc2N(C)C)CC1 1539484469 QEDDMOXKGCHLMY-UHFFFAOYSA-N 458.570 1.739 30 10 JDEE C=CCn1c(COc2ccccc2OC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1540860396 KESKULCJBWDSRE-UHFFFAOYSA-N 487.586 1.605 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1540872743 ZITSDXKKXSNEGK-YLJYHZDGSA-N 458.994 1.981 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN(C(C)=O)C[C@H]1C 1540875087 BAEKHZUTQDRXCF-MRXNPFEDSA-N 458.588 1.938 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1540875137 CDZLYHBOJLLITP-HSZRJFAPSA-N 485.520 1.113 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H]([C@H]3CCCO3)C2)cc1 1540877005 IFWWJULPJAXHKL-WMQCIHAUSA-N 491.614 1.886 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](N2CCCC2)C1 1540906786 BOENNJIDKJDYGT-SFHVURJKSA-N 450.609 1.066 30 10 JDEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1555428465 DMKXBKVBXNFMCN-RXVVDRJESA-N 463.560 1.140 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](C)Oc2ccccc2Br)CC1 1564251928 DDQKNHLHFJCVTQ-AWEZNQCLSA-N 459.366 1.011 30 10 JDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1587759501 VPEYRKRHWQGUQW-HBMCJLEFSA-N 469.634 1.659 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCCCCC2)nc1 1587990369 WIKNOBJSYDEQKV-HXUWFJFHSA-N 487.630 1.504 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1588025012 RAKBWQWXLLRPEQ-MJGOQNOKSA-N 489.573 1.747 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1588040577 OQECCOKLXWMVNY-IBGZPJMESA-N 454.556 1.312 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1588050278 QIGZHOXOEMIJJJ-PMACEKPBSA-N 471.631 1.730 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCN2c3ccccc3C[C@@H]2C)CC1 1588884930 OVLOTXCGRPHCKW-IBGZPJMESA-N 477.613 1.833 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCS(C)(=O)=O)CC1 1588923515 BZEMGPWJDFZFGB-UHFFFAOYSA-N 495.609 1.531 30 10 JDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589068373 AZAXIJFTKIVTFC-GPMSIDNRSA-N 458.540 1.517 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc([C@@H](C)OC)n1 1589215648 CNVXIVJJLHUCRY-LDBYXDLTSA-N 494.643 1.815 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)C1 1589505146 LEMMNSWPADJDKS-YLJYHZDGSA-N 459.572 1.608 30 10 JDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1594825260 WNGZWRPDPRTVFB-UHFFFAOYSA-N 467.578 1.233 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(Cc2cc(C)on2)CC1 1595496864 JEGKOMLGMKMQOM-UHFFFAOYSA-N 451.531 1.875 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3C[C@H](C)N(C)C)C[C@@H]2C)CC1 1596278915 YMBLDBYFONUDAP-MZLICYQSSA-N 494.644 1.668 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCN(C)S(=O)(=O)c2ccc(F)cc2)c1 1618392601 WQZHDUGYTSLRQS-UHFFFAOYSA-N 455.533 1.341 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CCCN2CCC(O)CC2)cc1 1620349229 IAFOPMWGCDDKNY-UHFFFAOYSA-N 451.575 1.755 30 10 JDEE CC(C)[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)N(C)Cc1nnc2n1CCC2 1622095142 CSIUBMZXMGMIOD-SFHVURJKSA-N 450.952 1.711 30 10 JDEE COC(=O)[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1c1ccc(F)cc1F 1630450574 IDOQNVYFUGZDDM-ZNZDAUKMSA-N 477.489 1.918 30 10 JDEE COCCN(C(=O)CN1CCC[C@H](CC#N)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 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C=C(C)COCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1690308393 MMQVNDKVUMASSR-UGKGYDQZSA-N 468.606 1.707 30 10 JDEE CCOc1ccc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1OCC 1696124583 GTFNQVCQNIJHNH-QZTJIDSGSA-N 454.531 1.998 30 10 JDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705509211 FEHUZPGGVHUYNI-QGZVFWFLSA-N 450.586 1.775 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1705509404 FRHRAULHWLQERR-QGZVFWFLSA-N 476.603 1.864 30 10 JDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1cnn2ccccc12)[C@@H]1CCS(=O)(=O)C1 1705560747 NBOLLIIPFJGEAC-IEBWSBKVSA-N 472.571 1.325 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1705567838 ASVKAISULDBQMO-SFHVURJKSA-N 499.618 1.845 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1705568350 LTERQSCVSRXVLU-CVDCTZTESA-N 490.651 1.914 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCSC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705568418 NEVCJAHIZNBWFG-ZDUSSCGKSA-N 465.523 1.280 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCOC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1705571859 JVKROZFHHLSJSB-CEXWTWQISA-N 452.577 1.342 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1705572012 ONECAAYDTFALSR-XUVXKRRUSA-N 495.715 1.872 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2nnc3n2CCCCC3)CC1 1705645435 UKLQRZUMCBTHSL-SFHVURJKSA-N 484.605 1.334 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1705661436 BNDWTXLFHFNZSP-IBGZPJMESA-N 491.687 1.219 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCOc1ccc(S(C)(=O)=O)cc1 1705673198 SVVQFECZFGKOPS-XMSQKQJNSA-N 457.556 1.704 30 10 JDEE C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1705682492 BOCIQGQHZKRTKB-INIZCTEOSA-N 466.336 1.822 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1705898686 UKSSJBKYIHNNKV-UHFFFAOYSA-N 492.602 1.125 30 10 JDEE COC(=O)N1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCNS(C)(=O)=O)CC1 1711464943 GXDLZHSBSPXBGZ-UHFFFAOYSA-N 475.575 1.281 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1722274495 PSXVNMVFDDXICG-CADBVGFASA-N 472.590 1.996 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCO[C@H]1CCCC[C@H]1C 1722295148 JFZOTWRJKGHRBJ-XWSJACJDSA-N 453.609 1.664 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1722333787 ZLDNOCMAHJDZSC-WIYYLYMNSA-N 490.605 1.879 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722363446 UCTKMKQHNKDKPL-LEWJYISDSA-N 452.584 1.784 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1nccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1722368269 QNISTMAOJVBYSH-GJZGRUSLSA-N 484.504 1.460 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1722403043 UHWZESNZYXWIEL-FPOVZHCZSA-N 474.631 1.730 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(OCC)c1 1722413308 KIRPMCFOIJBMSA-FQEVSTJZSA-N 477.587 1.526 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)N2CCOCC2)CC1 1722440388 IIYRESHKNIHCLE-QFIPXVFZSA-N 452.603 1.950 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC(=O)NCc2ccco2)CC1 1722449892 STEXSDLLWQCWRU-UHFFFAOYSA-N 452.559 1.886 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1722459590 NPXOOGOEESHAIF-LJQANCHMSA-N 479.672 1.918 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)Cc1ccccc1 1722467336 RBEMIRSNTZQBIH-DYESRHJHSA-N 479.628 1.495 30 10 JDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1722483099 FSKPXVDRRFSRJL-LSDHHAIUSA-N 468.400 1.175 30 10 JDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CN(C(=O)OC(C)(C)C)C1)C1CC1 1722646657 KDPJPIIQDIWDRB-AWEZNQCLSA-N 454.597 1.910 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1722696915 URFRFSVJIZHHCQ-UHFFFAOYSA-N 452.607 1.637 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1722698376 FKZDZHFYUQKLDG-LJQANCHMSA-N 488.614 1.294 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1722700179 ZBEOHBDSWYMIQO-UHFFFAOYSA-N 457.554 1.679 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCSC[C@@H]1C 1722701261 LAJBMQPKGRHMIW-FQEVSTJZSA-N 469.659 1.887 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722728185 RKZNBVXPRUQXSP-SFHVURJKSA-N 496.659 1.357 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccs2)CC1 1722729082 WWBMOSOKPQXKLH-QGZVFWFLSA-N 499.684 1.165 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1722752227 ZFPOLDQHYZUVNN-KDURUIRLSA-N 472.615 1.963 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)CCOC)c1 1740562623 MXOIFWWAHLGNSE-XMMPIXPASA-N 468.558 1.358 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCN2CCOC[C@H]2C)c1 1740564477 OJVDPYATDODYGH-CTNGQTDRSA-N 466.586 1.949 30 10 JDEE C#CCCCn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740596729 KWHZRTOYIBGNCM-DHIUTWEWSA-N 458.563 1.547 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740622493 DPTKIAXJMAXBFE-MSOLQXFVSA-N 462.620 1.120 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1740623884 CFRUNPCGIUGIRH-OAHLLOKOSA-N 474.568 1.241 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CCCNS(C)(=O)=O 1740632024 ZVUQYDFBUXKRIL-UHFFFAOYSA-N 480.388 1.728 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C(F)(F)C12CCC2 1740686833 XEBCIXGBVASJOF-HOTGVXAUSA-N 473.546 1.132 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC=C)n1 1740689285 UOLHTDWFYKVMQK-UHFFFAOYSA-N 458.526 1.861 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCNc2nccc(C(F)(F)F)n2)CC1 1740690038 MRAUNBHUEQIVQC-UHFFFAOYSA-N 493.538 1.873 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccccc2Cl)N(C)C)CC1 1740696453 VADIOLHRBMIHLR-GHTZIAJQSA-N 491.061 1.892 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN(CC)S(C)(=O)=O)CC1 1740697259 XQALNXKGFNHKDE-UHFFFAOYSA-N 462.595 1.435 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1740706482 USCHONRHERPTKP-FQEVSTJZSA-N 492.584 1.337 30 10 JDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1740808326 HANISFMYCIBFOG-INIZCTEOSA-N 450.975 1.094 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1740875674 HVLFCDMGGLGQGA-MSOLQXFVSA-N 466.608 1.168 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCN(C)C1 1740942633 XOCDICVNKJJKMQ-IEGUWTFLSA-N 464.611 1.754 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1740952308 ZNHLEKUZYXXVLB-UHFFFAOYSA-N 480.554 1.252 30 10 JDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)CC1=O 1741559834 DBNMGKUXDSZJMD-UHFFFAOYSA-N 465.558 1.403 30 10 JDEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)CC1 1748718076 NGHHTTKSZBXUEM-KRWDZBQOSA-N 451.593 1.959 30 10 JDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1748772450 OKIQUWDGTZGRRH-CVEARBPZSA-N 466.608 1.747 30 10 JDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)NCC(F)(F)F 1748794851 NOVGWPLIGPSBNY-UHFFFAOYSA-N 463.508 1.391 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1748820735 IDURMIWRUMFPKK-MRXNPFEDSA-N 474.568 1.241 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1748826050 LGTJMZLOTUIFRN-LJQANCHMSA-N 486.594 1.829 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)C 1748945383 RXNGVRHCRXSTLK-GOSISDBHSA-N 461.563 1.731 30 10 JDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCN(CCN(C)C)CC1 1749042708 CIGAYCKOZZFFCT-QFIPXVFZSA-N 467.618 1.880 30 10 JDEE C=C(C)COCCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749239658 NQHXTJAYFDQRHU-IBGZPJMESA-N 468.558 1.159 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](N2CCCC2)C1 1749721776 SYVSSGXYWRUVRN-SFHVURJKSA-N 473.603 1.591 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1749732137 QJXSOHJLWCRBON-IRXDYDNUSA-N 496.634 1.666 30 10 JDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760155664 FDAZOPQKVJOVFC-UHFFFAOYSA-N 462.558 1.103 30 10 JDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760170906 RAMDFIUONTXPFP-INIZCTEOSA-N 469.571 1.026 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1760178872 DGJSKNPRCZWSDM-SFHVURJKSA-N 489.573 1.531 30 10 JDEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1760182426 FRLVFGCORCRKLJ-KRWDZBQOSA-N 455.540 1.844 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1760185406 WVWWGDPETBSBBW-QRWLVFNGSA-N 495.399 1.486 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(C)cc1F)[C@H]1CCS(=O)(=O)C1 1760192755 XXBYSHNORAJSRI-SFHVURJKSA-N 459.547 1.523 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1760201611 GJQWQBFGDVSWMR-LJQANCHMSA-N 492.605 1.963 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1760282286 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C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705560995 PIXTXYXGRFARQR-HZPDHXFCSA-N 459.638 1.341 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCNC(=O)Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1705566081 XLYHDVYMZHEGNG-FQEVSTJZSA-N 496.568 1.465 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCOCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705566638 PCMMLZDQCSNSDY-RTWAWAEBSA-N 480.631 1.980 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H]1COCCO1 1705582905 MBGGBIZJWXTDER-OALUTQOASA-N 459.547 1.465 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1705600142 NOGOQVUXIRBMJR-UHFFFAOYSA-N 465.579 1.753 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCS(=O)(=O)c2ccccc2)CC1 1705632668 YAOOLUJHEGTVIZ-UHFFFAOYSA-N 493.593 1.545 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC2(OCCOC)CCOCC2)CC1 1705641304 ZNXDYELAXILXOD-UHFFFAOYSA-N 454.575 1.231 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1705644978 HUTSOMWHXZGAHB-SGXKBVARSA-N 480.635 1.202 30 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C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1722387643 OIKGWMWCNQLPBN-UHFFFAOYSA-N 488.552 1.643 30 10 JDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(=C)Br)CC1 1722437842 JJMZZGROFZSQBF-UHFFFAOYSA-N 478.420 1.902 30 10 JDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](CNC(C)=O)C1 1722493549 IMAJXOIBJDXJJY-XHSDSOJGSA-N 458.357 1.252 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2cncn2)C1 1722587965 GOSNQHSEIIMSTO-MSOLQXFVSA-N 478.623 1.646 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1722621175 WQDYDZYVFOSSQK-UHFFFAOYSA-N 470.622 1.779 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1722692835 YJJJYXQPHHWSCA-HEJPQYQCSA-N 458.588 1.751 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](OCCOC)C1 1722693379 LTKYLKCLXNBLGK-CQSZACIVSA-N 453.341 1.580 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1722698904 OWJWLJGQEKUJHV-KGLIPLIRSA-N 486.019 1.775 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(c2ncc(F)cn2)CC1 1722706606 UUTMLZCIZRLUPT-UHFFFAOYSA-N 482.520 1.424 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](C(F)(F)F)C1 1722726215 YMYIMYXXOWXUKG-CQSZACIVSA-N 467.514 1.565 30 10 JDEE CC(C)(C)NC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1 1722973246 HAARKKXIPHTCTO-UHFFFAOYSA-N 464.574 1.973 30 10 JDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(OCC(N)=O)CC1 1740565843 JGYZQHODOFKCLR-UHFFFAOYSA-N 459.572 1.623 30 10 JDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1740599484 BNHNSEBJJMYGGG-PXNSSMCTSA-N 460.604 1.803 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCOC(C)(C)C1 1740683559 AHUGXCMWNGROPQ-UHFFFAOYSA-N 493.612 1.872 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1740700986 PTYMZBBPHCKAES-IBGZPJMESA-N 494.596 1.956 30 10 JDEE C=CCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1740947135 RTKSYNJDVIXRNH-NCOADZHNSA-N 467.592 1.832 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@]2(CNC(=O)C2)C1 1740953328 CBLILHQLGQJSEP-NRFANRHFSA-N 489.374 1.735 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1740958080 IBJARCZGTGPDRI-KSZLIROESA-N 487.605 1.410 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NC)C1 1740969174 UZGGSBVBOBGFMB-AEFFLSMTSA-N 476.603 1.464 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1740991831 GCZIFNZOATUMBA-SFHVURJKSA-N 475.619 1.623 30 10 JDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1741007550 ZPMFJODBBACZNH-UFYCRDLUSA-N 478.663 1.664 30 10 JDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC)CCS(C)(=O)=O 1748745420 QUSZUENDIYGOJD-UHFFFAOYSA-N 452.606 1.523 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1748809473 UDUANBPTNYYRCH-FQEVSTJZSA-N 472.571 1.966 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1748892871 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C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1760192219 GNZDKHJJNRDHIK-TUFLPTIASA-N 479.647 1.361 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCC(C)CC1 1760220136 WWNJCYFVYHFPSO-OAQYLSRUSA-N 476.647 1.196 30 10 JDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H](N1CCOCC1)C(F)(F)F 1760223855 OMVILBHUZAXIOO-SFHVURJKSA-N 494.543 1.996 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[C@@H]2CCOC2)CC1 1760265440 BBYOEUQQCJCREA-NTKDMRAZSA-N 459.591 1.711 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(=O)NCC(F)F)CC1 1760267567 QYRRIQLTRMULCB-UHFFFAOYSA-N 490.511 1.309 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2nncn2CC)CC1 1760273316 OMXTYKMYCUDZQN-UHFFFAOYSA-N 478.557 1.491 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1760280085 HQWOLBANKIXDLI-QGZVFWFLSA-N 470.603 1.501 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(N(C)S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1760327060 BQFBASUKFWJMII-GREBRCKQSA-N 497.662 1.772 30 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C#CCCCNC(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1227841632 PNLOSCCKBMGITP-UHFFFAOYSA-N 451.549 1.870 30 10 JDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nnnn1CC1CC1 1286436071 TXAAWJLFKIGSSG-UHFFFAOYSA-N 453.938 1.766 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(c3cccc(F)c3)CC2)CC1 1286470675 BFUGLNNXXKRMFL-KRWDZBQOSA-N 460.579 1.514 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1286473416 LRASBGDIUJHKFG-IBGZPJMESA-N 452.559 1.204 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1286484347 MKBZMSXSPGSMIA-NRFANRHFSA-N 456.566 1.598 30 10 JDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1286496329 QCRAHDOIWPTQLT-UHFFFAOYSA-N 469.615 1.920 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N2CCNC2=O)CC1 1286776203 JSWSVZGKBDVTIX-KRWDZBQOSA-N 461.567 1.767 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2[C@H]1C 1286790406 DXRWXGMQAIUMOI-APWZRJJASA-N 474.587 1.037 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(CCc2cccs2)CC1 1286818268 FIKDBMTYCLBHIA-UHFFFAOYSA-N 473.628 1.762 30 10 JDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cccs1 1298197961 CVPSZXDDAGKOPB-UHFFFAOYSA-N 479.566 1.603 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1300487651 KRXDOXXIRPQHDI-MHTXLSKPSA-N 450.561 1.622 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)c(F)c1 1300671992 SEBPIMXQHIFRTM-IBGZPJMESA-N 483.541 1.218 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1300711273 VPOQEMYBKQYJSB-XPWALMASSA-N 499.704 1.895 30 10 JDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1300756163 HAIXXSYKEXWKNW-UHFFFAOYSA-N 452.544 1.422 30 10 JDEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1300766276 YQMQGRFJUJAMPI-UHFFFAOYSA-N 487.029 1.816 30 10 JDEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1300775996 DIAZGTOWRPWFAZ-UHFFFAOYSA-N 472.546 1.883 30 10 JDEE 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474.996 1.398 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1359150809 HDIMTLNIXZEXEQ-MRXNPFEDSA-N 482.010 1.838 30 10 JDEE C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1359152724 GVISRVIMOJHHQG-UHFFFAOYSA-N 450.946 1.645 30 10 JDEE C=C(Cl)Cn1c(N2CCN(CC(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359157700 RCXCBKACRSVKLM-QFIPXVFZSA-N 467.014 1.816 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1359301273 VUCCJYMLCLAELF-KGLIPLIRSA-N 465.498 1.030 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1359329798 VNIWDPRAZBLHRJ-CVEARBPZSA-N 498.627 1.575 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCCN(C(=O)C(C)C)CC1 1359330838 FCTRBLHRGWEYKN-UHFFFAOYSA-N 460.604 1.944 30 10 JDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCSC1 1359929219 AKYBUYZMWMVXNF-PXNSSMCTSA-N 486.664 1.245 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)S(=O)(=O)CC4)CC2)cc1 1457626728 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490.651 1.666 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1539225112 LVRNJCWHWJAOLU-NRFANRHFSA-N 467.599 1.794 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539305396 ZHJTXIVPFDDFBG-GOSISDBHSA-N 471.583 1.707 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1539484230 IHMJYKMBOOLGSX-UHFFFAOYSA-N 469.611 1.811 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1539490858 ITJKBKWGVBZMCG-UHFFFAOYSA-N 472.590 1.813 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1540858237 NSUVNVVVBDASPI-ROUUACIJSA-N 499.540 1.976 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1540866738 YSRZNWBXRWHQOC-NVXWUHKLSA-N 475.981 1.663 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1540873561 BVLNPFNUWFTEME-UHFFFAOYSA-N 498.563 1.632 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1540874899 VLKRYEVIGARJSJ-HXOBKFHXSA-N 452.515 1.415 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(C)C)CC1 1540897759 RLKWVKBTHIZAAV-UHFFFAOYSA-N 495.049 1.993 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1540900556 ZPDIOLAJUFEJFE-HOTGVXAUSA-N 464.979 1.842 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1540902889 SZBJYKHPKJRTKC-QZTJIDSGSA-N 461.592 1.485 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1540905925 XGMNJEBPCXUPEQ-SFHVURJKSA-N 493.605 1.853 30 10 JDEE Cc1n[nH]cc1CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1542054841 IDMHTQFXNRECNQ-RHSMWYFYSA-N 450.569 1.014 30 10 JDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@@H]2C)CC1 1548329752 AHBWQCTVVSPGGL-SFHVURJKSA-N 487.630 1.446 30 10 JDEE CC(=O)N[C@](C)(C(=O)N1CCN(c2ccc(C#N)nc2)CC1)c1ccc(S(C)(=O)=O)cc1 1558224860 DKGGXCTWMNEMSL-QFIPXVFZSA-N 455.540 1.057 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC2(O)CCS(=O)(=O)CC2)c1 1587689636 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C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)NCC)CC1 1594797933 JPWBSRSMXUQOKY-UHFFFAOYSA-N 466.550 1.365 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1C(C)(C)C)C(C)C 1595170634 GGWODEOJXXUXDT-RTBURBONSA-N 457.623 1.421 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCN1CCOC(C)(C)C1 1595517196 SKJNTBUMVVOMGS-UHFFFAOYSA-N 456.547 1.523 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1595569949 RYXIAQUBYGERKD-SFHVURJKSA-N 464.574 1.940 30 10 JDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(S(C)(=O)=O)CC1 1603682713 BHJFWVFZTYZYOK-MRXNPFEDSA-N 458.592 1.431 30 10 JDEE CCN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC)CC1)S(C)(=O)=O 1615281735 AXSAOGZZACSLJF-UHFFFAOYSA-N 459.576 1.203 30 10 JDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)C)CC1 1615328342 CXSCHNXMZCLAQO-UHFFFAOYSA-N 480.617 1.722 30 10 JDEE CCN(C[C@H](C)C#N)S(=O)(=O)NC1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1664045658 BUDJORCKSNVKQG-SJORKVTESA-N 456.634 1.931 30 10 JDEE 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457.531 1.649 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H]1C 1705913430 NZWLDWMCGGHPFZ-PXNSSMCTSA-N 477.587 1.449 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1705936860 ZTLYXWSUYFVWDX-GOSISDBHSA-N 451.593 1.222 30 10 JDEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 1708258616 HLANFMLFOUNYKX-LJQANCHMSA-N 453.591 1.980 30 10 JDEE CCCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)N(C)C)c2ccccc2c1=O 1709806905 FSMJPOXRSAOVAQ-IRXDYDNUSA-N 450.547 1.744 30 10 JDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)C1 1711431019 HUPWDYURWPHZES-OAQYLSRUSA-N 465.558 1.370 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1conc1COC 1722280708 XXZAOUGKZQHVTD-OAHLLOKOSA-N 458.544 1.836 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@H](C(F)F)N1CCOCC1 1722346087 LUMUWGKQFUVRHK-LJQANCHMSA-N 496.584 1.621 30 10 JDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNS(=O)(=O)c1ccccc1 1722351848 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C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722663594 BVJFBYKHHWUSDQ-NVXWUHKLSA-N 464.617 1.765 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1722697350 IHUGSGZOWGCZHA-TZIWHRDSSA-N 480.617 1.459 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)N2CCC(C)CC2)C1 1722711635 VYXLZUMTHZEGFN-GUDVDZBRSA-N 454.641 1.790 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1722727081 LIVIHHWBOLGQOO-UHFFFAOYSA-N 462.576 1.842 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](C(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722737030 QMFRIKSSPKHRNJ-GHTZIAJQSA-N 456.609 1.781 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1722737107 SZVFQMHGNRJASK-RBUKOAKNSA-N 453.609 1.279 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCCSC1 1723951512 CDJYSGYRZYASRI-FUHWJXTLSA-N 490.659 1.625 30 10 JDEE COC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)OC 1730470831 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1740947168 QDGDITALDVQUFR-SFHVURJKSA-N 461.563 1.787 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1740952107 VCRYNIZRPOHEFZ-QGZVFWFLSA-N 488.614 1.883 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740962541 HCHOKWRMVCGURL-UHFFFAOYSA-N 452.606 1.093 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(C)(c3nc(C)no3)CC2)nnc1[C@@]1(OCC)CCOC1 1740966146 WFHLTKKVLRGFLG-JOCHJYFZSA-N 459.551 1.482 30 10 JDEE CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)C(=O)OC(C)(C)C 1746324613 ATSOWIZLYOPECP-FOIQADDNSA-N 470.571 1.879 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1747602875 AFWGYOMCDSQKIK-UHFFFAOYSA-N 484.561 1.569 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1748810160 SNFCIUCAGYKOEA-LJQANCHMSA-N 459.597 1.559 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCC(=O)NCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748817956 UCCJDMYPMBTTOX-PMACEKPBSA-N 471.583 1.115 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCCC1=O 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1749454565 ITJLPZZCGDIPAA-QGZVFWFLSA-N 465.558 1.842 30 10 JDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1749466023 ZQJAHQOSMYLBSV-UYAOXDASSA-N 462.620 1.892 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C 1749558122 QNKBMOQIMNFCGC-RTWAWAEBSA-N 478.601 1.186 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(N(C)C(C)=O)CC1 1749677856 MPODCNJXTQSJJI-UHFFFAOYSA-N 459.576 1.019 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1749724100 HEDCCTPNLCCNKN-JTSKRJEESA-N 462.572 1.939 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1749735855 BRWDALHGPUVVOL-OAQYLSRUSA-N 485.614 1.583 30 10 JDEE C[C@@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C[C@@H](C)O1 1752396795 AVEZYUKEAVRUBS-OPYAIIAOSA-N 472.615 1.939 30 10 JDEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCOCCCO)[C@H]1CCS(=O)(=O)C1 1760183954 FMDOXEKOGICLGX-IBGZPJMESA-N 469.567 1.519 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760184181 WLCRMKOTNKAOBV-KBAYOESNSA-N 451.593 1.248 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1760186782 QUUUUKVFEHTZQW-MRXNPFEDSA-N 460.510 1.740 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1760192738 XOKLQLKUIMCBIM-RTWAWAEBSA-N 473.647 1.641 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1Cl 1760235513 OZIZCUPBKLOPNE-SFHVURJKSA-N 451.980 1.967 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)N(C)C 1760249164 IPPZKZAJAXCDLN-DLBZAZTESA-N 451.618 1.631 30 10 JDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1760261522 SODRAAMUFHDGAK-IZHYLOQSSA-N 473.581 1.735 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2F)CC1 1760270468 XYRGXRRCEAJWHI-LJQANCHMSA-N 473.574 1.642 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1760273968 DNZAQCVLIKATMP-CVEARBPZSA-N 457.622 1.029 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)COC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760327615 JXBSURQTRXNQIC-PTLVVNQVSA-N 477.606 1.595 30 10 JDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(=O)N1CCOCC1 1760353350 OZJQKZARGZWMBI-UHFFFAOYSA-N 457.531 1.604 30 10 JDEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760451579 NAELSBBHQMQCCS-UHFFFAOYSA-N 490.555 1.913 30 10 JDEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(OCC(N)=O)CC1 1760509621 VLVSHBWVRRSMQJ-UHFFFAOYSA-N 451.531 1.722 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1760525605 LJGZFHIORMKGFT-UHFFFAOYSA-N 489.580 1.927 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1760556970 VLIORJLNDOVIAM-UHFFFAOYSA-N 480.594 1.827 30 10 JDEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1=O 1761129542 FBKVAJKNIDSHPN-UHFFFAOYSA-N 465.558 1.560 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](C)CN1CCN(CC)CC1 1762239124 BBYAJGQVWLIQDX-FDDCHVKYSA-N 462.618 1.912 30 10 JDEE CCc1nc(C)c(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)o1 1762735929 GENYGPFQYFTBHQ-SFHVURJKSA-N 477.591 1.648 30 10 JDEE CC[C@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1763903893 AATAIOZJJYIBGQ-ICSRJNTNSA-N 486.646 1.504 30 10 JDEE CCN(CC)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1766688052 FPIWDKDRKDSKHD-UHFFFAOYSA-N 454.579 1.922 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(N)cc3)CC2)nc1C 1858636176 RUYBRFIVZIOYEZ-UHFFFAOYSA-N 479.584 1.322 30 10 JDEE C=CCOc1ccccc1[C@H]1C(C(=O)NCc2cccnc2)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865716855 KHAICMBHYAXUNL-SFHVURJKSA-N 475.505 1.055 30 10 JDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(C(=O)OC)cc1 1874338378 VBALGSQFVMNKRE-YJCKXXIQSA-N 459.528 1.936 30 10 JDEE CCn1c(=O)c2cc(S(=O)(=O)N3CC[C@@H](Oc4cc(C#N)ccn4)C3)ccc2n(CC)c1=O 1890368405 LCYIVONOAHBJFN-MRXNPFEDSA-N 469.523 1.312 30 10 JDEE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)N1CC[C@@H](C#N)C1 2006289651 YKCOPNAVBXYNHM-HNNXBMFYSA-N 461.585 1.428 30 10 JDEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256616366 AUXFWDAGFHDOAC-UHFFFAOYSA-N 453.370 1.288 30 10 JDEE Cn1ncc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)c1B1OC(C)(C)C(C)(C)O1 2267009939 RGFRODQUUKQKBJ-GFCCVEGCSA-N 462.278 1.905 30 10 JDEE COCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267091882 LGCWWHGSURPVKT-UHFFFAOYSA-N 450.345 1.511 30 10 JDEE CC(C)(C)OC(=O)NC[C@]1(O)CCCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2267170665 YNMOAYXGCXLUIB-OAQYLSRUSA-N 467.397 1.934 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCC2(C)CN(C(=O)OC(C)(C)C)C2)n1 2267705900 OAKBNUHVPLURES-UHFFFAOYSA-N 470.401 1.255 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@@]1(CO)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268638338 ILKMFMFOQQNYLL-OAQYLSRUSA-N 467.397 1.821 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2271975140 LHADGWILMXJNCR-WMLDXEAASA-N 467.397 1.962 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O 2282181960 NBUUZITVEOIVJY-INIZCTEOSA-N 463.340 1.470 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@]2(C)C1 2282650322 LAOYVVKEQDWJJV-HOYKHHGWSA-N 451.380 1.708 30 10 JDEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315694792 DKZYRDJTCZDYDL-UHFFFAOYSA-N 455.386 1.792 30 10 JDEE CC(C)(C)OC(=O)N1CC(OCCNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2337152931 INPGNNFKABGQKV-UHFFFAOYSA-N 488.437 1.962 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)n1C 2362488953 CIENFVVEBRYDSL-CYBMUJFWSA-N 458.290 1.558 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OCC)CC1 105264858 XMXXCOQUISXMKF-UHFFFAOYSA-N 490.560 1.942 30 10 JDEE C[C@]12C=CC(=O)C=C1CC[C@H]1[C@H]2[C@@H](O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)O 254748393 APGDTXUMTIZLCJ-NFNAREHTSA-N 460.523 1.973 30 10 JDEE in-vitro C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)CC1 512714398 ROZZUODEBVRSHG-SFHVURJKSA-N 499.431 1.049 30 10 JDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2Cl)c(=O)n1Cc1ccccc1 609323671 RHEYBTKQJJNIPW-UHFFFAOYSA-N 469.950 1.878 30 10 JDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCNCC3)cc2I)OC1(C)C 725407067 XMWKTUKQUYLGER-UHFFFAOYSA-N 478.161 1.184 30 10 JDEE Nn1c(NN=Cc2cc([N+](=O)[O-])ccc2O)nnc1SCC(=O)NCc1ccc(F)cc1 1083969355 ISMOBESPRPVWMR-UHFFFAOYSA-N 460.451 1.599 30 10 JDEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br)C1CCOCC1 1148195520 WZQVBJJDZLVDHX-KRWDZBQOSA-N 459.362 1.532 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC2(NC(=O)OC(C)(C)C)CCOCC2)c1 1213131926 YQBCLDPGNCHQKE-UHFFFAOYSA-N 453.561 1.955 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)C1=O 1265305237 RWJAXKHCPOFEJT-UHFFFAOYSA-N 457.464 1.798 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286387419 DMPDEPUDBYWCLT-OAHLLOKOSA-N 489.907 1.904 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1286392672 JEMRAJUNEYWKFP-LSDHHAIUSA-N 454.503 1.786 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cc(OC)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1286396799 WNCQQSVMLVYQHH-ROUUACIJSA-N 490.582 1.483 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCN(CC)C1 1286400377 DUKDXBWTSVBYSE-IBGZPJMESA-N 453.616 1.961 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(CC)cc1 1286431905 SMZIDJNREXKARI-JOCHJYFZSA-N 469.611 1.879 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(N(C)C)nc1 1286462784 VZJLFICHAVOPCU-UHFFFAOYSA-N 472.553 1.787 30 10 JDEE C=C(Br)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C)C(=O)C1 1286530651 CJPUEHUBUPECJE-UHFFFAOYSA-N 482.408 1.734 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1286788216 SDYMITSHTOFANQ-QGZVFWFLSA-N 456.551 1.337 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ccccc3C#N)CC2)nnc1[C@@]1(OCC)CCOC1 1286793611 HWIXIWPUMYPDLO-XMMPIXPASA-N 465.558 1.431 30 10 JDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286826339 DZNWELFWYYVOGD-GOSISDBHSA-N 494.643 1.066 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300479842 SSFARJWNBOSSJT-RCCFBDPRSA-N 456.572 1.988 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1ccnn1 1300578833 PSUCNSYFXXEFIO-IBGZPJMESA-N 468.562 1.731 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC1(O)CCOCC1 1300579329 TVGHLWJJVQNCHX-UHFFFAOYSA-N 463.586 1.847 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccs1)N(C)C 1300631318 PQDURMDVQISCTB-IRXDYDNUSA-N 466.633 1.435 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(C)n(C)c1=O 1300663413 AVRBPAOJHGCBHJ-UHFFFAOYSA-N 459.510 1.735 30 10 JDEE C#CCONC(=O)c1cc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1C 1300668310 DHQFDCIWKRHOKW-UHFFFAOYSA-N 454.508 1.888 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(CC)CCS(C)(=O)=O 1300880753 KOUUWNUUWIJPPS-BEFAXECRSA-N 465.576 1.858 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1300936841 NQQHWHNTTAFLEN-UHFFFAOYSA-N 467.617 1.785 30 10 JDEE C=C(C)COCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC(=O)N(C)[C@H](C)C1 1300997154 QFHLGDKJKYICOR-JOCHJYFZSA-N 481.645 1.902 30 10 JDEE C=CCn1c(Cc2ccccn2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1301463406 WHNQWPXYUAKOKF-KZNAEPCWSA-N 474.587 1.576 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1301501471 XLNOWLYXQNMZEX-FUHWJXTLSA-N 463.535 1.199 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1301575027 AQHNHRBZJNOJAY-OAQYLSRUSA-N 484.626 1.966 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1301577973 QNWWCRABIAHVFC-HSZRJFAPSA-N 486.598 1.669 30 10 JDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1314700626 FPNAZSCQPPLATN-QYZOEREBSA-N 459.572 1.903 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC(F)(F)CO2)c1 1358902687 WNBSDOBCKUJHSA-SJLPKXTDSA-N 493.536 1.661 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358961631 CBKHRUSSXPULHB-PKOBYXMFSA-N 457.556 1.325 30 10 JDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCCS1(=O)=O 1359006729 HGURQERBVVDART-MRXNPFEDSA-N 464.617 1.665 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC2CCOCC2)CC1 1359032013 YFEVNJPSUNPYKT-UHFFFAOYSA-N 457.600 1.921 30 10 JDEE C=CCNC(=O)Cn1c(N(C)Cc2nc(O)c3sccc3n2)nnc1[C@]1(OC(C)C)CCOC1 1359305648 JKVLPLRCFRHZAN-QFIPXVFZSA-N 487.586 1.968 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCN(C(C)=O)CC2)C1 1359315336 SIMCRTNYXMEKQB-GOSISDBHSA-N 492.422 1.981 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359329312 FJYQZQONTHMRFY-UHFFFAOYSA-N 483.616 1.026 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2F)CC1 1359333897 NJEQXSAWXJAXIW-UHFFFAOYSA-N 471.562 1.725 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1359342281 UCMNUNHHEVEEDO-INIZCTEOSA-N 456.638 1.399 30 10 JDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1464328580 GQRBTMUTXFQVNR-INIZCTEOSA-N 450.536 1.056 30 10 JDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CC1 1464747011 GWUKPEIQPFYIFQ-NEWSRXKRSA-N 454.980 1.156 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1507625107 GIBMIHHWMQGCQX-VGSWGCGISA-N 496.536 1.979 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1507627633 SVSJEZUFPQOLSX-UWVAXJGDSA-N 454.618 1.310 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(CS(C)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 1507630824 IMIJMCQCVACGDM-NRFANRHFSA-N 499.618 1.560 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1507633048 AGDIMKBIRDZPKS-OAQYLSRUSA-N 470.599 1.149 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1507633174 DAUHGBXQIQIXOO-QGZVFWFLSA-N 474.537 1.750 30 10 JDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCS(=O)(=O)CC 1507748426 QUOHRYQSQQIMJE-UHFFFAOYSA-N 450.586 1.954 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)CC 1508002688 LKKUVWRVCQIUCN-SFHVURJKSA-N 452.602 1.808 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nc(CC)ns2)CC1 1508079581 ZLSUCOIRLCAWPH-UHFFFAOYSA-N 463.571 1.859 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1508143769 NHPBIVVQVOYKAR-QFIPXVFZSA-N 470.555 1.188 30 10 JDEE CCc1ccc([C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)N(C)C)cc1 1513624571 BGMSMQLAGHOYQJ-DBVUQKKJSA-N 475.619 1.482 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1538970320 BVQAQOMMUKYEBE-QAETUUGQSA-N 468.624 1.992 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1538974044 QSDFZRIBMLTWGN-IXDOHACOSA-N 460.604 1.923 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@]2(O)CCN(C)C2)c1 1539046631 XDHWCZPNPDYNAX-VWLOTQADSA-N 476.585 1.263 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1539179713 RCSDSRGVNWXMTD-KSZLIROESA-N 496.634 1.326 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1539229798 IHLXWYZBSLMNTB-RBUKOAKNSA-N 474.583 1.919 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1539265923 KTPYQAIAROGVMN-VSKRKVRLSA-N 490.674 1.442 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCS(=O)(=O)C1 1539337786 MMUPWCXOQNYKSX-GBESFXJTSA-N 475.615 1.946 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)Oc2ccccc2OC)CC1 1539459892 RHWUMMYHYVKKFO-IBGZPJMESA-N 452.559 1.632 30 10 JDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1540048345 UIHUIQQNPJGBMR-QAETUUGQSA-N 484.623 1.535 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1540861682 BSAGHYLWTYPWHV-CALCHBBNSA-N 473.578 1.119 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOCC2)cc1 1540878531 ZHOLQYXPTIJNKT-LJQANCHMSA-N 463.560 1.061 30 10 JDEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1554577183 FKXOJJUNRJQDKT-FQEVSTJZSA-N 468.558 1.981 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCN1CCN(C(C)=O)CC1 1588550378 OZNCWDUIDBLBBU-OAQYLSRUSA-N 454.550 1.725 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CCCC2(C)C)n1 1588724342 XBQFKKFEKXZJEP-YADARESESA-N 469.590 1.653 30 10 JDEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1594461009 HKFADKJDBQELFK-KRWDZBQOSA-N 453.503 1.603 30 10 JDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1594807561 RVSGBBHMEJAYOR-UHFFFAOYSA-N 458.544 1.020 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(CC)[C@@H](C)C1 1595496660 CPGJUKWHDWUZBG-INIZCTEOSA-N 458.563 1.804 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ncccn2)CC1 1595556038 MLGYJYKAECUFOR-UHFFFAOYSA-N 454.485 1.566 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1595556488 VEXOOMUEYCXMLJ-UHFFFAOYSA-N 479.629 1.614 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOCC1 1595659354 WMDNWBPGGGCBIU-FQEVSTJZSA-N 475.615 1.562 30 10 JDEE CCCNC(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1614968510 BHFHFUXEHWMLMX-UHFFFAOYSA-N 476.589 1.649 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2cccc(N(C)S(C)(=O)=O)c2)ccc1F 1618748805 RXHGHNXBSZKVFQ-UHFFFAOYSA-N 455.533 1.616 30 10 JDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCn2cc(Br)cn2)C1 1620346619 DSPODRNNWMKORC-SUMWQHHRSA-N 451.304 1.720 30 10 JDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCc3ccc(S(N)(=O)=O)cc32)CC1 1644900746 FECXZKYHESLOKB-NRFANRHFSA-N 457.531 1.245 30 10 JDEE C=CCOCCNC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1674730359 HMAWCDJDCWAFBH-QZTJIDSGSA-N 451.568 1.766 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCOCC1 1689853412 SGNCSSZQZIPRNO-OTWHNJEPSA-N 462.595 1.765 30 10 JDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(OCc2ccccc2)c1 1689946593 SSTSGRCYPXFWTA-KRWDZBQOSA-N 454.556 1.980 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689982854 VUVBPEBYBBOATQ-KKIUXKEOSA-N 473.624 1.991 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1689984008 JNEOTCRWPUJNQY-OAHLLOKOSA-N 471.992 1.055 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCCCN1CCC[C@@H]1CO)[C@@H]1CCS(=O)(=O)C1 1689986635 UJMZBUAEFUFSKW-WOJBJXKFSA-N 472.615 1.204 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCNC(=O)c1cc[nH]n1 1690017569 HEUUEYKPWZPWRG-UHFFFAOYSA-N 480.573 1.619 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc2c(c1)OCO2 1690103649 FSNXJXXFOPGGJM-MRXNPFEDSA-N 462.528 1.074 30 10 JDEE C=C(Br)Cn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1690233281 BUWSVXFFDRQINT-VQTJNVASSA-N 497.394 1.653 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1690609503 QRLRMXNQNRXUQU-KRWDZBQOSA-N 478.600 1.944 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](n2cncn2)C1 1690661882 KBQGBHJLEDFYGG-KRWDZBQOSA-N 452.519 1.698 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1690662319 ZBRRANVIRSPREV-XLIONFOSSA-N 487.557 1.657 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1690673949 KEBRBAXOUVHVOZ-FXAWDEMLSA-N 471.631 1.221 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1690676081 PBSAHJIVANWPKG-HXUWFJFHSA-N 485.608 1.903 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2F)CC1 1690724865 XTDJNNDAOUZXNH-MRXNPFEDSA-N 467.542 1.988 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](Cn2cccn2)C1 1690725217 IQJLLASGSKLFPU-IBGZPJMESA-N 474.562 1.711 30 10 JDEE CCN(CC)[C@@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1695609118 AXVGTWKOJOLREA-HKUYNNGSSA-N 451.579 1.553 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1705560918 LYBFFMXQSGHWHX-HNNXBMFYSA-N 497.419 1.199 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1705566180 LXDXZXFUKJLPLQ-UXHICEINSA-N 470.599 1.534 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCOCC1 1705620547 XBGDIAJXQAEIKE-ICSRJNTNSA-N 475.590 1.680 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(N(C)C)nc2)CC1 1705634126 KHNQTMMYLDRNLC-UHFFFAOYSA-N 479.610 1.613 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1705636771 XKIJEWUFJQSJOA-FQEVSTJZSA-N 466.586 1.976 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCS(=O)(=O)c2ccccc2)CC1 1705643421 FQVUSHFOWVITCC-FPOVZHCZSA-N 473.599 1.231 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1N(C)C 1705716288 GELJKVQDCOPGFO-IBGZPJMESA-N 463.608 1.523 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CCN1CCCS1(=O)=O 1705859484 BCWLQHPBXREBOW-UHFFFAOYSA-N 464.555 1.835 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1705902335 CEJDBLWQGAWOPV-OAQYLSRUSA-N 466.586 1.756 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ccccc3[N+](=O)[O-])CC2)nnc1[C@]1(OC(C)C)CCOC1 1705909173 PMXWOCWGTODUMH-DEOSSOPVSA-N 499.572 1.856 30 10 JDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705947829 YDVQDLQXXAYGPF-UHFFFAOYSA-N 469.615 1.454 30 10 JDEE CC(C)C(=O)NCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)CC#N 1706237219 GDDIFPGBUGVCES-MRXNPFEDSA-N 461.592 1.706 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H](c1ccccc1)N1CCOCC1 1706848492 FYCATPLNQKGUKY-CMKODMSKSA-N 475.619 1.700 30 10 JDEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)COC)CC1 1722308996 TZOHSFCENCNWPA-UHFFFAOYSA-N 472.977 1.960 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1722331975 BKJZPXSPAVKMOP-VQTJNVASSA-N 477.562 1.741 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1722358403 BFSBHZIBKUCVTN-IBGZPJMESA-N 473.599 1.743 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1722371570 KHVAUYQMFHXCRK-CYFREDJKSA-N 485.610 1.579 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(c2ccncc2)CC1 1722389475 IMVSUECLRHENSI-LJQANCHMSA-N 469.615 1.663 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@H]1OC 1722394467 UUFQRALHMITMGB-GHTZIAJQSA-N 460.538 1.706 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCCN2CCN(CC)CC2)CC1 1722559621 COHRXDNCWPXNIL-LJQANCHMSA-N 453.657 1.462 30 10 JDEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1722610848 DYYYEKGZGNFBLE-UHFFFAOYSA-N 461.530 1.250 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1722617412 JPQAKRGMTTWRDP-WOJBJXKFSA-N 478.663 1.669 30 10 JDEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722620681 ITVJLDIDIDDNJM-UHFFFAOYSA-N 472.565 1.943 30 10 JDEE C=CCCOCCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 1722627659 PXVYMHPZKSBWRN-QHCPKHFHSA-N 458.563 1.568 30 10 JDEE CN(CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1729535295 DYQSYPGXFXMYSH-OAHLLOKOSA-N 475.575 1.865 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2nc(C)cc2C)nc1 1740531949 AYWALPMZYQDJMW-RDJZCZTQSA-N 456.576 1.592 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ccc(C(N)=O)nc1 1740536283 CNLRXJPYMRJZEJ-CQSZACIVSA-N 450.499 1.971 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)NC 1740549327 FFDBPKKCBIFICE-OAHLLOKOSA-N 454.597 1.400 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1740581368 VZRUZZMWLOBQOC-ROUUACIJSA-N 453.547 1.706 30 10 JDEE C#CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CCN1CCN(C(C)=O)CC1 1740603759 FHEDYSZSKDZDDN-UHFFFAOYSA-N 454.575 1.976 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740616050 QVGSUOQJKRFPAY-HXUWFJFHSA-N 455.584 1.774 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCc2ccccc21 1740686853 XSIVBRFYDSMGKA-CTNGQTDRSA-N 473.599 1.427 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@](C)(O)c2ccccc2)CC1 1740703600 YGWNIDOTTUZTAJ-CLJLJLNGSA-N 481.597 1.804 30 10 JDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C(=O)NC)CC1 1740716412 QWDOPSKVHQSISX-UHFFFAOYSA-N 451.556 1.923 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1740725865 QTUDQOSAIRDWFU-QNUAYKNMSA-N 468.558 1.837 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1740787803 LWNPINPGBMGGAH-GJZGRUSLSA-N 468.546 1.554 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@]2(CCOC2)C1 1740805587 RWBSXVROHDXBEK-HXUWFJFHSA-N 467.979 1.944 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1740953135 WRZAJTHNHNFVGB-UKRRQHHQSA-N 467.368 1.588 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC(=O)NC(C)(C)C 1740953176 XUSXGYBSGVKPJW-UHFFFAOYSA-N 466.384 1.699 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCN(CC(=O)N(C)C)CC2)cc1 1740967820 RHOSSFKVJPABLW-FQEVSTJZSA-N 454.575 1.605 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@](C)(C(N)=O)C1 1740991716 CHPPNDXZGOSPEN-LAUBAEHRSA-N 461.544 1.093 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](c1ccsc1)N(C)C 1741917186 BWELAMRGLISCIP-PBHICJAKSA-N 451.622 1.993 30 10 JDEE C[C@@H]1CC[C@@H](C)N1CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1742991705 DDZDQSANPLFPEV-NHCUHLMSSA-N 494.644 1.812 30 10 JDEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1)S(C)(=O)=O 1746308369 CEBZZOWKVRKEJA-SFTDATJTSA-N 488.614 1.873 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2nccnc2C)C1 1746551344 DMMRSBNUDCWVFN-HXUWFJFHSA-N 496.597 1.588 30 10 JDEE CO[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)c1ccc(F)cc1 1748438773 BWSKHRQXJFDUNR-LQWHRVPQSA-N 496.540 1.580 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748808511 DSQMFEAORSXHKP-CYBMUJFWSA-N 489.907 1.904 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748824361 OQGKRVYHJVIDPT-PMACEKPBSA-N 451.637 1.952 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCC[C@@]3(CCOC3)O2)CC1 1748971039 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C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1749664186 HQQOJTRXDVPLFW-UHFFFAOYSA-N 451.575 1.300 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1749705051 FUERVEWDKYUHBU-INIZCTEOSA-N 475.600 1.865 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)c2nc(C)cs2)C1 1749713408 SUFFTSWSUQDGMD-CGTJXYLNSA-N 496.659 1.961 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CCN(C2CC2)C1 1751190039 AAGBDHFGPWBBSP-QFBILLFUSA-N 457.604 1.881 30 10 JDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1760175562 MLJGWZIRGDRBFM-NQIIRXRSSA-N 457.600 1.519 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1760182129 GVEBXJMJGQSCCS-OAHLLOKOSA-N 483.545 1.463 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C(C)C)N2CCCC2)CC1 1760252931 YFPVKUVRHQXZTQ-HXUWFJFHSA-N 450.591 1.801 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1760275762 IAOAJUKFEICBDH-KDURUIRLSA-N 479.628 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C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(=O)NCCC)CC1 1588907272 AHWNSKXJFIOZSM-UHFFFAOYSA-N 468.558 1.454 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCN2CCSCC2)CC1 1588954329 FTSPOJWCPZUWMF-UHFFFAOYSA-N 453.616 1.279 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](CC)OC)CC1 1588961899 PYAJKLWHGRGMAN-QGZVFWFLSA-N 458.588 1.660 30 10 JDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(NC(=O)COC)CC1 1593621038 LFPNFWHJMBPJRG-UHFFFAOYSA-N 451.531 1.500 30 10 JDEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1594545128 PVFBYWUZIWTDFR-NHCUHLMSSA-N 493.612 1.762 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)C)CC1 1594813048 NIWRDVORMLNGDX-IBGZPJMESA-N 470.640 1.124 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1595577027 GSKDPDQKOBUHGQ-MRXNPFEDSA-N 468.587 1.689 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1595759995 IVTRSSOHQKUNRY-OAQYLSRUSA-N 465.551 1.254 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C)C(=O)[C@H]1C 1595761053 WRMBEGRELJIKOY-HZPDHXFCSA-N 465.551 1.825 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N(C)CCC(=O)NC 1595773266 WAPOPHHDBWYTSV-UHFFFAOYSA-N 476.422 1.942 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1595776448 ADKSHYIGBTVJJF-QGZVFWFLSA-N 475.596 1.717 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCCCC2)CC1 1595883898 CXOWZEUMJJDHSQ-FQEVSTJZSA-N 498.719 1.985 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1595967844 HQLQXURBZHCBMR-VQTJNVASSA-N 485.614 1.403 30 10 JDEE COCCN(C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccccc2C#N)CC1 1619881668 BUOHCDTVNRAZHT-UHFFFAOYSA-N 477.617 1.916 30 10 JDEE C=CCN(C)CCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1626745192 SWBYBUANFSUCAE-UHFFFAOYSA-N 451.589 1.825 30 10 JDEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1 1633844683 BIJDNXZQGOTQEX-HNNXBMFYSA-N 453.524 1.548 30 10 JDEE C#C[C@H]1CC[C@H](NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1651340698 ACOUEQOWPNYHQT-FRFSOERESA-N 459.490 1.926 30 10 JDEE C#CCCCS(=O)(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1664426873 VRIBBIMSYYXPIP-QZTJIDSGSA-N 454.593 1.597 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)OCCc2sccc21 1689966243 NLRMUPOQFNUXLR-OXJNMPFZSA-N 465.601 1.230 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689984713 TZOTVLPODJUBSC-HXUWFJFHSA-N 478.018 1.948 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1690049890 LROVINMDFYQFOJ-IFMALSPDSA-N 466.611 1.931 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCOCCS(C)(=O)=O)CC1 1690140143 NJUCLPIVCZNPKZ-UHFFFAOYSA-N 495.005 1.021 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1690169701 LMPFSHPFKWECKD-UHFFFAOYSA-N 450.572 1.471 30 10 JDEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690277303 NHVYVOCBOAKEGO-UHFFFAOYSA-N 484.557 1.474 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1690288431 YMCBYJHGBAGKII-UYAOXDASSA-N 494.662 1.662 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)NCCOC)CC1 1690361168 JEWPMRYKWYAQCE-IEBWSBKVSA-N 469.030 1.834 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)N2CCC(OC)CC2)CC1 1690364235 MESUDIHVXSMSGF-KRWDZBQOSA-N 454.641 1.934 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)N2CCSCC2)C1 1690710888 YLHSOAJNZHQFPU-IBGZPJMESA-N 478.644 1.424 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1690714477 NBEXNCSDBFUKNT-UHFFFAOYSA-N 495.694 1.012 30 10 JDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)C(C)(C)C 1696653856 FPMRAAJZBCIVFQ-UHFFFAOYSA-N 453.547 1.274 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705565318 HSSXPQKPBPICOS-BSDSXHPESA-N 454.618 1.243 30 10 JDEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1705569423 HBIPPSPVVIMMEA-MJGOQNOKSA-N 454.600 1.927 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCC1(F)F 1705628346 DMUAQLHCBRIRLN-IRXDYDNUSA-N 475.562 1.523 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1705648849 ATYQCQWBMKLLGW-LJQANCHMSA-N 452.607 1.765 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2cc(C)ccc2OC)CC1 1705651225 OCQUSOHLZJRYKF-UHFFFAOYSA-N 478.597 1.926 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1705844156 WUPAKZCLCWHQSU-ROUUACIJSA-N 498.650 1.880 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1705895226 YLPFGXJABIOURN-UHFFFAOYSA-N 471.537 1.210 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(CCOC)CC1 1705903044 PDFDYFZIWBPPPH-UHFFFAOYSA-N 491.637 1.463 30 10 JDEE CC(C)C(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1706243514 BIPURBVBTGSXET-NRFANRHFSA-N 451.575 1.748 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCC(C)(C)C1 1712454071 HGGFURLECHSHTQ-SFHVURJKSA-N 452.625 1.669 30 10 JDEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)cn1 1712465122 HIVVVWFANMVUFO-SJORKVTESA-N 471.587 1.966 30 10 JDEE CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1712696733 BARLXINXCDFGPJ-IBGZPJMESA-N 486.598 1.755 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCC[C@H]1CO 1722381727 AYPUWPTXDYNAOI-GOTSBHOMSA-N 481.622 1.258 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1722501622 GGXXJMGNYSZCJS-GCJKJVERSA-N 494.662 1.632 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)COC1 1722664311 WEZFXPFYKJKUPF-KRWDZBQOSA-N 467.617 1.902 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722706057 MDZJCRGGICOPJP-UHFFFAOYSA-N 497.021 1.673 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2sc(C)nc2C)C1 1722712110 ZMBNIENNYLFCMB-ZBFHGGJFSA-N 454.622 1.986 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C)C1 1722727732 KVEJCASSPIIUTK-SJORKVTESA-N 485.607 1.412 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H]1CCSC1 1722750839 PNJBVVGEPVVESS-QGZVFWFLSA-N 499.684 1.738 30 10 JDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1730730767 ADVXURIZNHQOHE-JOCHJYFZSA-N 464.574 1.805 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1c(C)noc1C 1740554220 XLLBLIGLMLQXQD-JKIFEVAISA-N 450.565 1.477 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1740580835 JMIBHXJXVBHDCF-OAQYLSRUSA-N 480.617 1.570 30 10 JDEE C#CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(=O)NCCOC)CC1 1740583424 ZZEJVJXFTOOTIM-UHFFFAOYSA-N 450.543 1.989 30 10 JDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740589003 MAFSSBBVZZCDDK-HNNXBMFYSA-N 455.544 1.525 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1740618510 IRDGURAHGSFZNA-MRXNPFEDSA-N 481.525 1.698 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCCn2cnnn2)CC1 1740691799 DRIJMNCPZQAHDH-UHFFFAOYSA-N 486.378 1.548 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2nccnc2C)CC1 1740695755 CFXZVPCWERYGRG-OAQYLSRUSA-N 496.616 1.683 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1740706853 FZBIYPHXZLWIMA-UHFFFAOYSA-N 470.599 1.055 30 10 JDEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](C(N)=O)C1 1740719961 NMTDCUITFMHDLM-NRFANRHFSA-N 481.670 1.711 30 10 JDEE C=C(Br)Cn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740747324 FDNNZXWZIUGELP-KRWDZBQOSA-N 473.375 1.509 30 10 JDEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740778094 GJOFEKFGCUFBSM-UHFFFAOYSA-N 478.395 1.593 30 10 JDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1740958823 VRSSRQINZKYOHO-UHFFFAOYSA-N 457.623 1.665 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(Cc2cc(C)on2)CC1 1740964533 QIOSEAQPMJXZJV-UHFFFAOYSA-N 469.521 1.917 30 10 JDEE C=CCOc1ccccc1Cn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 1740970714 BNRIZGRLHFUVHQ-GBXCKJPGSA-N 471.558 1.495 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740989562 QUPJPAOBJWUWPB-UHFFFAOYSA-N 481.644 1.715 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1748667031 LVOQIKOUQDKSKH-SJORKVTESA-N 468.583 1.958 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1CCC 1748892233 LQVSBIQRDJUPKB-RTWAWAEBSA-N 476.647 1.338 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(OC)c(OCC)c(OC)c2)CC1 1748971031 AXDLUYOYNZQHBC-UHFFFAOYSA-N 482.585 1.734 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOC2CCCCCC2)CC1 1748989110 FPZXNAQSNDEDNX-NRFANRHFSA-N 494.662 1.106 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(F)c(F)c2F)CC1 1749010735 WFAKMQFULZFECI-QGZVFWFLSA-N 474.487 1.855 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C)CN2CCOCC2)CC1 1749016537 GBZRJTVOCVJNIK-OAQYLSRUSA-N 494.640 1.812 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(C(F)(F)F)CC1 1749427128 LQXUJXDAAHHQDS-CQSZACIVSA-N 467.514 1.471 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749450311 BUBAFZPPOUYCDQ-CTNGQTDRSA-N 473.622 1.096 30 10 JDEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1749616943 CZMZWCDNLKDJFO-NFBKMPQASA-N 491.614 1.920 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1749663610 KMLRHLKWNYLDQY-OAHLLOKOSA-N 457.560 1.582 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1749735479 UWUJXFDJUJVHRD-NRFANRHFSA-N 496.722 1.699 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1760180561 HOIWTGYXHOIIRW-MRXNPFEDSA-N 491.524 1.842 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1760183881 UVJKCKQNTMOYKV-SFHVURJKSA-N 468.514 1.740 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSc2ccccc21 1760205414 AXAZIWBFMMLZKG-HKUYNNGSSA-N 471.608 1.573 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2C[C@H]2CCS(=O)(=O)C2)n1 1760253142 WFWRWAPGNFKVSW-GOSISDBHSA-N 460.604 1.853 30 10 JDEE C#CCSCCn1c(CC(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1760283034 ZJKHHWSLAHUCLT-GOSISDBHSA-N 455.650 1.474 30 10 JDEE C#CCSCCn1c(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1760286953 ZHQKAWMEZGRBSQ-GBXCKJPGSA-N 490.674 1.430 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)cc1OC 1760346272 QGSUUHXWUCYIFS-IBGZPJMESA-N 465.576 1.841 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)Br 1760505237 PDAZBSULLOHCMD-GFCCVEGCSA-N 488.355 1.238 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760517157 FJAPNRPTPDQFQO-UHFFFAOYSA-N 452.968 1.372 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1760518068 HUWWUICTLJCHAG-HSZRJFAPSA-N 456.547 1.745 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)N2CCOCC2)C1 1760539531 QDKWFUJARGKZSM-IBGZPJMESA-N 456.503 1.884 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1760548227 BHMGOFYCKRMDKZ-SFHVURJKSA-N 464.636 1.426 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1760557820 XCGZYGYBTJAHSL-WMZHIEFXSA-N 476.599 1.885 30 10 JDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CC1 1764886669 DOIPDLBVBHXXKJ-UHFFFAOYSA-N 478.601 1.333 30 10 JDEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1766089640 HKIAUCIRXJWRJF-QZTJIDSGSA-N 490.586 1.266 30 10 JDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)C[C@H]1C 1767131853 FLFMPRZRNDXMKD-QGZVFWFLSA-N 463.546 1.412 30 10 JDEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1769499439 DWARODAAZUMVTO-JOCHJYFZSA-N 497.600 1.974 30 10 JDEE COc1ccccc1N1CCN(C(=O)[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)CC1 1858422369 SHYYRRIXBSTXGQ-IBGZPJMESA-N 454.552 1.926 30 10 JDEE C=CCOc1ccccc1OCC(=O)NCCNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 1873693522 XFNLNXYTVFDHSP-FQEVSTJZSA-N 451.523 1.911 30 10 JDEE COc1cccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)NCc2ccccc2)c1O 1874436012 HWDJECNPDOTDIJ-BRJLIKDPSA-N 468.539 1.919 30 10 JDEE CC(C)c1nc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cn1C 1889600471 AWBHZBYLTLDBRU-UHFFFAOYSA-N 465.664 1.743 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)C3CN(C(=O)c4ccc5c(c4)OCO5)C3)CC2)CC1 1891455324 UARHGAFUTNSLMS-UHFFFAOYSA-N 496.608 1.136 30 10 JDEE CCCn1c(C(=O)N2CCC(Oc3ncccc3C#N)CC2)cc2c(=O)n(C)c(=O)n(C)c21 1891780842 XOHLUHODPYLFFC-UHFFFAOYSA-N 450.499 1.399 30 10 JDEE COc1ccc2nnc(CNC(=O)[C@@H]3SCC(=O)N(C(C)C)[C@H]3c3ccc(C#N)cc3)n2n1 1892222596 OEKOLELUPYDQLB-LEWJYISDSA-N 465.539 1.714 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2197775252 FCVWRNDXGIQCIB-QGZVFWFLSA-N 480.392 1.958 30 10 JDEE C[C@H](C[S@](C)(=O)=NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255630750 OHZQZUGDYRDBNM-VEWZGRNOSA-N 456.374 1.860 30 10 JDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255649970 AIZQEIOBURFTSX-OLZOCXBDSA-N 453.370 1.806 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CSCCN(C(=O)OC(C)(C)C)C2)n1 2267112512 HTQQEONSGBSABC-CYBMUJFWSA-N 467.401 1.197 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCCO1 2267135190 ZSSYPHRUORGNRL-AWEZNQCLSA-N 450.345 1.465 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2267487326 OTYARICRJBGMFC-ZCDTZLGTSA-N 465.381 1.853 30 10 JDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2267718238 QBGUOEASYBANLE-CQSZACIVSA-N 488.437 1.650 30 10 JDEE Cc1c(C(=O)NCCCOCCNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281796522 MMQVLUADAHUFNE-UHFFFAOYSA-N 466.388 1.689 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C2CC2)[C@H](O)C1 2281830012 GWYJYHLREIORER-FUHWJXTLSA-N 461.368 1.832 30 10 JDEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NC[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C 2281938792 SLQMYTFCNGHEKG-OWCLPIDISA-N 482.408 1.427 30 10 JDEE Cn1cc(C(=O)N2CCC[C@@](CO)(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281974393 XHZOTMFZUDDZLB-JOCHJYFZSA-N 464.372 1.211 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](NC(=O)C(F)(F)F)[C@@H](C)C1 2281980561 JZVUGAMAIWWREN-GXTWGEPZSA-N 458.290 1.731 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CO)C1 2282174111 DIAPDWLHEQDZFJ-DOTOQJQBSA-N 463.384 1.672 30 10 JDEE C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)OC(C)(C)C 2282498526 FVLMPGTXTVVMFT-GDBMZVCRSA-N 484.428 1.643 30 10 JDEE CC1(C)OB(c2cnc(C(=O)N3[C@H]4CC[C@H]3CN(C(=O)C(F)(F)F)C4)c(F)c2)OC1(C)C 2282533590 NFRVAGHYYAKWLH-STQMWFEESA-N 457.233 1.898 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)[C@@H](O)C1 2282804783 CSKJSTKOIGGAJB-WMZOPIPTSA-N 462.352 1.792 30 10 JDEE C[C@H](OCc1ccccc1)[C@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284418288 WOBRMHKPAWJIPW-YOEHRIQHSA-N 479.364 1.056 30 10 JDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NCCc3ncn(C)n3)C(=O)[C@@]12C 2297591028 WSWZOPOTWHCFLM-QHCPKHFHSA-N 452.467 1.529 30 10 JDEE C[C@@H](O)CN(CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C(=O)OC(C)(C)C 2337209936 WTLGRQXFZAZOFP-CQSZACIVSA-N 452.361 1.067 30 10 JDEE CC(C)(C)OC(=O)N1CC(CNc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)(C(N)=O)C1 2345715003 SOODUBFRFTUXSA-UHFFFAOYSA-N 450.320 1.654 30 10 JDEE CN1CCN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@H](CNC(=O)C(F)(F)F)C1 2369094877 RMRKQGIBWUCMCS-MRXNPFEDSA-N 459.293 1.919 30 10 JDEE COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)N=C(N)N)cc1 21580880 OLMWDHFTXCGGCC-UHFFFAOYSA-N 486.373 1.547 30 10 JDEE N/C(=N\C(=O)OCc1ccccc1)NCCC[C@@H](N)c1nc(C(=O)N2CCNCC2)cs1 43209501 JRYZKKOUMMLCGD-MRXNPFEDSA-N 459.576 1.210 30 10 JDEE COC(=O)c1ccc(OCCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 609422986 MXRJTKHMLSJGLG-UHFFFAOYSA-N 472.523 1.440 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCS(=O)(=O)NC)c1 1286311107 JYGWFZNIXNCSBI-GOSISDBHSA-N 460.560 1.125 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncnc3ccsc23)CC1 1286342243 OSXPSZCVQZEQRB-HNNXBMFYSA-N 474.616 1.633 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(COC)CCCC1 1286409840 PJAMCAUPJRSVCF-IBGZPJMESA-N 463.604 1.281 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CCCCC1 1286410749 WBBKLTJJWRTIKB-HXUWFJFHSA-N 459.616 1.288 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Cc1ccc(OC)cc1 1286445847 BZTIEXXCJGTNGH-GHTZIAJQSA-N 475.615 1.958 30 10 JDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)NCC(F)(F)F 1286450416 SELQRXIXZLWDTP-UHFFFAOYSA-N 477.535 1.781 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(NC(N)=O)cc2)CC1 1286485189 WZIXKOLVADILJV-UHFFFAOYSA-N 478.582 1.564 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1286493656 IBTCCGHEBUHQIS-QHCPKHFHSA-N 479.629 1.587 30 10 JDEE C=C(Br)Cn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1286549829 WXDCRTDXDOMASH-KDOFPFPSSA-N 458.357 1.179 30 10 JDEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286584661 RHKMSISHBBIWPK-UHFFFAOYSA-N 492.422 1.603 30 10 JDEE C=C(C)COCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C(=O)NC)C1 1286611413 KBCDBBRJVPQFQN-IBGZPJMESA-N 492.621 1.937 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1CCN1CCCS1(=O)=O 1286741251 FEBNHMSAVIOTPE-FQEVSTJZSA-N 456.572 1.882 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCS(=O)(=O)C1 1286746523 AALNLYVNEPSXMK-LAUBAEHRSA-N 463.535 1.111 30 10 JDEE C=CCn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286777451 AJDRUSWCJVIZND-OWCLPIDISA-N 459.551 1.708 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1286783893 PCXGRPGHWUCKIZ-HXUWFJFHSA-N 453.591 1.472 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2c(ccnc2O)C1 1286791294 QFWLKRIMTHMJKP-SFHVURJKSA-N 499.572 1.552 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286791758 BRHGANYSPIHAKV-HXUWFJFHSA-N 485.520 1.065 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286814781 GSYYFACSADWANN-SFHVURJKSA-N 492.627 1.183 30 10 JDEE CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1296120211 GEAWZWJYTGQXHV-RTBURBONSA-N 488.662 1.422 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC(=O)NCC2CC2)c1 1298096413 FWOTXOVBYYIGCK-HSZRJFAPSA-N 485.614 1.852 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCc2noc(CC)n2)c1 1300332811 OVTMCCRBPNEQQV-QGZVFWFLSA-N 462.514 1.474 30 10 JDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccc3nncn3n2)CC1 1300337091 SPCMYDHZPKTIND-UHFFFAOYSA-N 464.578 1.764 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1300489203 KBZSFKGRGKHFKP-HTAPYJJXSA-N 462.572 1.750 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCCC2)nc1 1300578537 LURIBSHYLXDMCB-NRFANRHFSA-N 497.625 1.117 30 10 JDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nnc2n1CCCCC2 1300652536 AJBCKUPUUXNKFX-HSZRJFAPSA-N 457.579 1.771 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC(=O)NCC(F)F)CC1 1300685822 SMERCBTYEVLFFJ-UHFFFAOYSA-N 453.497 1.938 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCNC(=O)C(C)(C)C)CC1 1300688726 KLOCKYYFBAYLIS-UHFFFAOYSA-N 484.601 1.888 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C(=O)NC 1301151249 KJXTYXPNOWLDJW-HOTGVXAUSA-N 456.613 1.032 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1301222660 BZTHSNSFGQYISK-SFHVURJKSA-N 452.625 1.137 30 10 JDEE C=CCCOCCn1c(CC2CC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1301259080 CTGHAVVDJJGWHG-QYZOEREBSA-N 495.646 1.950 30 10 JDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1301429173 FMWXLRFZWBUPET-QGZVFWFLSA-N 471.949 1.814 30 10 JDEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1301468730 NNZOCLQUIDJLSA-UHFFFAOYSA-N 494.600 1.807 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCOC1 1301588569 HOWIIDKRAYPORL-QZTJIDSGSA-N 499.634 1.660 30 10 JDEE C=CCS(=O)(=O)CCn1c(N(C)[C@H]2CCCc3c2cnn3C)nnc1[C@]1(OCC)CCOC1 1301593358 NATYOKHVAFOGKM-AVRDEDQJSA-N 478.619 1.778 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1301594848 KFMHQWJUTKEELN-HNAYVOBHSA-N 459.638 1.582 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@@H]1COCCO1 1303402210 GBTUJZRROUTHKQ-QGZVFWFLSA-N 473.965 1.683 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H]1CCCS1 1303860499 AWMMLJXIUJPVDS-WMZOPIPTSA-N 475.644 1.982 30 10 JDEE Cc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CCC(C)C)no1 1304221078 GXUOOXPURFQFJR-SFHVURJKSA-N 465.580 1.722 30 10 JDEE Cc1nc(S(=O)(=O)N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H](C)N(C)C)CC2)cn1C 1304688789 HJPQVDKLFSGMNR-KRWDZBQOSA-N 497.629 1.320 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1358955455 MHKFOVFJOKDNHV-PMACEKPBSA-N 476.647 1.261 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1358958822 WRGUCLYFRKNUPD-IBGZPJMESA-N 482.522 1.932 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358960752 KXPXBXPLLKUKHJ-UFYCRDLUSA-N 472.615 1.466 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(Cl)ccc1OC)[C@H]1CCS(=O)(=O)C1 1358961954 HNFDSGHWFHKTOM-IRXDYDNUSA-N 477.974 1.566 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1358962872 YPGXKQXXNPZBAQ-MOPGFXCFSA-N 459.572 1.202 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N1CCOCC1 1359000121 MGLFSQQSIGNGND-IRXDYDNUSA-N 466.633 1.483 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](OC)c2ccccc2)CC1 1359040102 IGUTUVZAVVEJAQ-OAQYLSRUSA-N 464.570 1.868 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCOCC(F)F)CC1 1359043393 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452.603 1.951 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(NC(=O)COC)CC2)nnc1[C@@]1(OCC)CCOC1 1705708023 WNQIAUFQJGPZAQ-NSXLHWASSA-N 477.606 1.643 30 10 JDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 1705727948 KVQZXUJGDZYUIQ-QGZVFWFLSA-N 458.567 1.779 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCN(C)C1 1705857777 LJYIAJJVJBZFNH-HTAPYJJXSA-N 473.603 1.019 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1 1705897389 LOHMPFHXTCMTMA-GEYWLOKFSA-N 480.635 1.365 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705905073 IRLDTNBERHNYOM-IBGZPJMESA-N 488.614 1.184 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCc2ccco2)C1 1705914075 GBKZATQWQDBYGT-KRWDZBQOSA-N 451.487 1.616 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1705934186 DJYNQMTUXSMLEX-IBGZPJMESA-N 492.646 1.495 30 10 JDEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705946542 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1740707799 QBBVQPMKOCGKHQ-UHFFFAOYSA-N 453.543 1.868 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2c(C)nn(C)c2C)CC1 1740708372 NHPVGYAVVPZDSJ-UHFFFAOYSA-N 463.590 1.504 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)CN2CCCCC2)CC1 1740708478 QURRAINDADTRDL-FQEVSTJZSA-N 469.634 1.488 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740736175 GFXAVGJWJKXBNG-CQSZACIVSA-N 477.429 1.623 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1740738088 CXCBPOMZYUUNTA-SRVKXCTJSA-N 472.431 1.055 30 10 JDEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)NCCOC)CC1 1740738344 ISHGLKWOUBTONY-UHFFFAOYSA-N 493.406 1.747 30 10 JDEE C=C(Br)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740748933 UPBQFNYKYVPNKA-MRXNPFEDSA-N 489.374 1.530 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)C1 1740762869 WQYVKYPXFYLHQE-MKXGPGLRSA-N 453.609 1.829 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1740786841 QGCPQSXWEQDTQF-GOSISDBHSA-N 452.519 1.830 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C[C@H]2CCOC2)CC1 1740989724 WCWBPTZKXKZOOG-GOSISDBHSA-N 463.579 1.844 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1740991556 YZMJERDPZVLBKS-GHTZIAJQSA-N 453.609 1.422 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1740994223 OSJADCFCGJOQRX-CALCHBBNSA-N 499.387 1.782 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1748731609 HSNCMBOEYZCDFL-CVEARBPZSA-N 450.540 1.884 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1748803929 BEKOXRMBLGQRLP-CVDCTZTESA-N 480.631 1.641 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1748810193 SWFXUQFWLBAFCS-GOSISDBHSA-N 473.555 1.423 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1748824118 JHFHQZOOAOARIE-QGZVFWFLSA-N 462.572 1.653 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCCNS(C)(=O)=O)CC1 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C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCC(=O)N2CCOCC2)c1 1760127908 QFTFZGGVMYRWSB-UHFFFAOYSA-N 487.564 1.569 30 10 JDEE C#CCN(c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1760189546 PVXYZUKAJMIBFZ-GOSISDBHSA-N 498.609 1.728 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)c(F)c1 1760219798 OILYGGDMUCRGHR-FQEVSTJZSA-N 477.537 1.595 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)c2cccs2)CC1 1760253773 IXQGOQRRTSDVGV-INIZCTEOSA-N 450.634 1.683 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1760257210 RCHWUIPRTKCGLH-JTSKRJEESA-N 494.017 1.376 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)C(C)C)CC1 1760265333 XKXWVYPJSGVRTQ-QHCPKHFHSA-N 453.547 1.298 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1760272284 FGRRNJIZJGGOIU-QGZVFWFLSA-N 482.614 1.081 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)COC)CC1 1760326587 YHGVSNRYUVRDPT-JPYJTQIMSA-N 454.575 1.977 30 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C=CCOC(=O)c1sc(NC(=O)COc2ccc(S(=O)(=O)N3CC(O)C3)cc2)nc1C 1872720366 ZXSBXFDXJYEHKY-UHFFFAOYSA-N 467.525 1.177 30 10 JDEE Cn1c(=O)c2cc(C(=O)N3CCN(c4cccc(C#N)c4)CC3)n(Cc3ccccc3)c2n(C)c1=O 1892063912 ABHWCAVUWKBSAF-UHFFFAOYSA-N 482.544 1.921 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1 2255816129 ZMBWSEDKQQMYPJ-NEWSRXKRSA-N 466.347 1.859 30 10 JDEE CC(C)(C)OC(=O)N1CC(ONS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2267363642 LTJXHTUOTKLODF-UHFFFAOYSA-N 472.344 1.954 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2267373985 KYYGDUWSFWPZFL-GJZGRUSLSA-N 488.437 1.696 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1 2267464116 GHVRASQDNKQNOQ-CQSZACIVSA-N 470.401 1.397 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)[C@@](C)(CO)C1 2267481128 KKKTVUAIICUOAX-OAQYLSRUSA-N 467.397 1.886 30 10 JDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 2281762130 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JDEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1358960716 KEPUIGGIMXWJRO-KRWDZBQOSA-N 468.583 1.969 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1358966847 XVYWTOZCDLRENN-IOJLRTSASA-N 477.631 1.623 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCO[C@@H](C)C1 1358972220 YCBVECICTAONSI-NRFANRHFSA-N 498.653 1.769 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1359044268 ATWCDOQZERTENN-NHCUHLMSSA-N 496.587 1.621 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCS(=O)(=O)C2)CC1 1359046401 QJUPLVROBKCWFQ-GOSISDBHSA-N 485.610 1.278 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1359073232 HVSIZSYLPYGPGI-RUZDIDTESA-N 474.569 1.395 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1359083312 HMLQUVAAPTUNSI-MOPGFXCFSA-N 483.455 1.922 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCN(C(C)C)CC1)C1CC1 1359251892 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C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1507637798 TWGUEDNOLCCVJG-ZULIPRJHSA-N 462.554 1.076 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@]2(C)COCCO2)CC1 1507718638 SNXOSWJDXZMSMJ-XMMPIXPASA-N 471.558 1.532 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)COC)CC1 1507744778 WOMPLRZPGWDGLH-UHFFFAOYSA-N 470.599 1.809 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCOCC2)C1 1507844215 FIHYSAGFQDPVQY-SFHVURJKSA-N 469.608 1.211 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(Cl)cccc2C1 1508071976 CRFAFYMGEYXWME-ZDUSSCGKSA-N 452.968 1.407 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1508145689 OQXPEIATGBUAHR-RBUKOAKNSA-N 466.652 1.258 30 10 JDEE C=CCSCCn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1508167124 GOUIKQHYEKOVJQ-QFBILLFUSA-N 459.638 1.320 30 10 JDEE CC(=O)N1CCC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 1508220318 DMEOWHPXAYKCQO-DVECYGJZSA-N 465.558 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C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(COC)cc1)[C@H]1CCS(=O)(=O)C1 1588053351 CYFKQZRTYYQXOY-RBUKOAKNSA-N 457.556 1.051 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1588068846 ANVNRXZLVHPLKP-LJQANCHMSA-N 457.556 1.780 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588070014 VFGUCGQWGYXXNM-IRLDBZIGSA-N 471.627 1.411 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)(C)OC)CC1 1588763058 RCKOMUOVQGUZBB-UHFFFAOYSA-N 460.604 1.376 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)N(C)C 1589216748 WLUJTNZYOJGEIA-ZFGGDYGUSA-N 486.642 1.906 30 10 JDEE C=C(Cn1c(COCC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccccc1 1593796580 WVTSABGBBNNGEH-UHFFFAOYSA-N 468.558 1.035 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1594813381 RQQPXWRAAZUPIT-OALUTQOASA-N 483.635 1.335 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H]3CC[C@@H](OC)[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1595830845 IMAGFQDHMTUDSY-IIMDRIAPSA-N 454.593 1.392 30 10 JDEE CO[C@]1(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)[C@H](C)CC#N)CCOC1 1619049771 DKRGLMWKGHULRL-IERDGZPVSA-N 462.576 1.739 30 10 JDEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1620172450 FNADMIIQIYVUQB-GOSISDBHSA-N 471.587 1.109 30 10 JDEE N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC2(O)CCOCC2)CCO1 1620354379 CSQLBCYMTMQMFC-SFHVURJKSA-N 474.949 1.522 30 10 JDEE N#C[C@H]1CN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2COCCO2)CCO1 1620356590 CSZWEDMQSZFLBY-DLBZAZTESA-N 464.320 1.764 30 10 JDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cccc(C(=O)N2CCOCC2)c1 1633603376 FJGUBXPKMUJWLU-INIZCTEOSA-N 456.524 1.014 30 10 JDEE C#CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1 1635015910 CZIUFXQDEUXKBG-MRXNPFEDSA-N 454.390 1.627 30 10 JDEE COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCN(c4ccsc4C#N)CC3)cc2)[nH]1 1641397073 CANLRAVKFJDTME-UHFFFAOYSA-N 451.508 1.777 30 10 JDEE C#CCn1ccc(CN(CC)C(=O)CCC(=O)Nc2ccc3c(n2)n(CC)c(=O)n3CC)n1 1648753338 CIDSMZLPRMDDST-UHFFFAOYSA-N 451.531 1.835 30 10 JDEE C#CCN(C(=O)NCCCNC(=O)c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1677983645 VZEZIOZWAPAENJ-INIZCTEOSA-N 456.362 1.401 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1689916143 AYFFSPYYUWEPIA-IBGZPJMESA-N 491.639 1.766 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCS(=O)(=O)CC1CC1)[C@@H]1CCS(=O)(=O)C1 1689992850 PSEYFQSCLTTWHW-LJQANCHMSA-N 494.614 1.460 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc(C)s1 1690019967 VTMMTEKHMAYLIR-MRXNPFEDSA-N 457.560 1.868 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1690133564 LHJOMGGYXINVDM-GOSISDBHSA-N 493.033 1.547 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC)cc2)CC1 1690146292 KIXKQJWYJAHAJO-FQEVSTJZSA-N 485.610 1.593 30 10 JDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690218463 HONOMWLSKRVEOK-KRWDZBQOSA-N 458.382 1.438 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1690253435 QQOVKAKMIXHDSZ-PGRDOPGGSA-N 491.614 1.929 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2)C1 1690313027 JTSGFRSGCOUWLQ-SFTDATJTSA-N 491.614 1.782 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1690485354 QFEDTMVGBPTSLQ-JKSBSHDWSA-N 496.634 1.681 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(c2nc3ccccc3[nH]2)CC1 1690659403 RNDNBOZPPDLIAG-UHFFFAOYSA-N 450.547 1.979 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(S(C)(=O)=O)CC1 1690672159 JYJFNWSTASMSCC-UHFFFAOYSA-N 453.515 1.463 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1690723010 FCGYOYVWSGACKO-BBWFWOEESA-N 451.593 1.614 30 10 JDEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)OC 1694386226 COXCFIRTZFVHSQ-OAQYLSRUSA-N 467.574 1.223 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCC2=O)cc1 1705477437 OEFMOEMDJNFVLF-DLBZAZTESA-N 458.588 1.517 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1cnn(C)n1 1705495083 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C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1705631986 FNCBKZBDEKCXHJ-UHFFFAOYSA-N 469.537 1.332 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(OC)ccc2OC)CC1 1705643789 SORUNPWMLHCKDY-AVRDEDQJSA-N 455.559 1.823 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[C@@H]2COCCO2)CC1 1705646293 DFZRPMCIBSBICE-HXUWFJFHSA-N 483.569 1.734 30 10 JDEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705683960 GOWZDNMCGBONTN-UHFFFAOYSA-N 463.336 1.682 30 10 JDEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1705797427 WFWPKYPCGNAQIH-NJYVYQBISA-N 486.598 1.700 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1705895091 TXAKMGSABBVUKD-TZIWHRDSSA-N 481.601 1.606 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1705902471 FPWNORDYKZZXNW-ROUUACIJSA-N 453.547 1.643 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1705906341 ATTFKSDYOMJCKJ-UHFFFAOYSA-N 473.965 1.807 30 10 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1722724768 FQKIXHCLWSDDFO-UHFFFAOYSA-N 493.605 1.730 30 10 JDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722741062 ZEFUTGCVSPTOKF-UHFFFAOYSA-N 482.632 1.691 30 10 JDEE C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1726751350 BYVKOAITOARWSM-NQIIRXRSSA-N 488.614 1.463 30 10 JDEE CCN1CCN(C(=O)CC2CCN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)NC)CC2)CC1 1728601796 DDJDINCRGPHABH-UHFFFAOYSA-N 492.628 1.723 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1740539796 VNBZTBUFXOJFGL-VGSWGCGISA-N 461.588 1.687 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O)[C@H]1CCS(=O)(=O)C1 1740625385 QGIHJTICPBFLQS-ICSRJNTNSA-N 473.574 1.341 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCOC(C)(C)C1 1740687147 SKHNEPHUEGLJIS-UHFFFAOYSA-N 451.575 1.713 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ncccc2N(C)C)CC1 1740707186 SHTVPYHPKODABG-UHFFFAOYSA-N 458.570 1.739 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cccs1 1740717430 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CC(C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1741258383 AQHINAVJWFFROW-HNNXBMFYSA-N 462.551 1.288 30 10 JDEE CC(C)CN1CCO[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)C1 1741571883 DCTGCISGYFITAV-CTNGQTDRSA-N 467.574 1.397 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC(C)(C)C2)CC1 1741703908 HMUYUQREOJOJBZ-UHFFFAOYSA-N 494.644 1.574 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1C1CC1 1741802027 FANYDLQDVZWOFX-QRQLOZEOSA-N 465.624 1.366 30 10 JDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@]2(CCCOC2)O1 1743243401 AOINYNLUFZZFJK-KKSFZXQISA-N 460.560 1.140 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN(C)C(C)C 1744090501 DSFMZNAYIRLKPD-GOSISDBHSA-N 482.637 1.913 30 10 JDEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCN(C)C2)cc1 1746842545 IBJYCTSBYXMOKS-HCLVMJGWSA-N 456.547 1.612 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C1OCCO1 1748671315 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C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1749670988 XMPARMPIHPVNPB-HKUYNNGSSA-N 475.571 1.069 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1749678072 VEBVQQNCDDBPEP-KRWDZBQOSA-N 475.594 1.538 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1749755513 IFCRHXRGSPOUHO-OTWHNJEPSA-N 469.677 1.646 30 10 JDEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)C1 1749949965 HAZZSEAQNSHTQQ-QUZZAMIASA-N 454.531 1.374 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1760181100 PMQDFOBMNFXIAK-INIZCTEOSA-N 481.525 1.652 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1760182281 DVOLURZINDSUQR-QGZVFWFLSA-N 482.653 1.728 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@@H]2NC(=O)CC2(C)C)n1 1760252764 QTDSAMYOBHHPIB-ICSRJNTNSA-N 469.590 1.570 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(F)cccc2Cl)CC1 1760266450 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2255932985 IUTMFRDHESMEGN-NSHDSACASA-N 496.844 1.865 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2267160129 VAQAVRNJHNLFPJ-AEAUEXCSSA-N 465.381 1.853 30 10 JDEE Cc1cc(S(=O)(=O)N2CC(CNC(=O)C(F)(F)F)C2)ccc1B1OC(C)(C)C(C)(C)O1 2267355963 JMQXJFDHUYXFQA-UHFFFAOYSA-N 462.299 1.593 30 10 JDEE Cc1ccc(S(=O)(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267359354 LUMKTAVIPXPJSV-HNNXBMFYSA-N 470.397 1.458 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2267372426 OLQLGHIRLVHZPT-HUUCEWRRSA-N 488.437 1.696 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2267558173 YCMZIEYGZUPBPP-DZKIICNBSA-N 468.381 1.118 30 10 JDEE CC(C)(C)OC(=O)NCC1(O)CC(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268651385 APGRNJAKGCRKLA-UHFFFAOYSA-N 467.397 1.724 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)=C[C@@H]1O 2268716989 IEQGLWITZWGKTP-CABCVRRESA-N 465.381 1.643 30 10 JDEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)CCO2 2272919220 JNFFOJDUGAUUGO-UHFFFAOYSA-N 465.381 1.904 30 10 JDEE Cc1c(C(=O)N=[S@]2(=O)CC[C@@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281809853 JYQPWVDOJXINNL-GSLRCMBYSA-N 482.412 1.933 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 2282180216 REQHIPBFIVTMLY-ZNMIVQPWSA-N 461.372 1.632 30 10 JDEE CC1(C)OB(c2ccc(C(=O)N3C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C3)s2)OC1(C)C 2282194743 DCDJKFGOPZSCAF-MNOVXSKESA-N 475.298 1.042 30 10 JDEE CO[C@@H]1CN(C(=O)c2c(C)nn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2282587753 AXRXDDXYWOLSHO-LSDHHAIUSA-N 464.372 1.392 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282836541 LMEFMFSPKGFPIW-MSOLQXFVSA-N 482.408 1.697 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCCN(C(=O)OC(C)(C)C)C2CC2)n1 2282838197 KPTLSCSSZOZZEF-UHFFFAOYSA-N 484.428 1.787 30 10 JDEE Cc1nc(S(=O)(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282873212 IFZLMXOYJDOVRM-DZGCQCFKSA-N 484.428 1.704 30 10 JDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)CCS(=O)(=O)C1 2284052701 GVZDCKIIDPGCEM-NRFANRHFSA-N 481.380 1.401 30 10 JDEE CN(C[C@@]1(O)CCCN(Cc2ccccc2)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2286396587 RRXRHBRJUAPHRA-DEOSSOPVSA-N 454.380 1.808 30 10 JDEE CCOC(=O)C1CCN(C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 15445399 QKHTWMZFJAYFDJ-QGZVFWFLSA-N 462.572 1.055 30 10 JDEE CCCCCCCCCCCC[C@@H](OC(=O)OCC)C(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO 100094037 YYSMKPHMPHPRRE-SRHPJPHMSA-N 477.595 1.598 30 10 JDEE CN(C)CCN1C(=O)C(=O)/C(=C(\O)c2ccc3c(c2)OCCO3)[C@]12C(=O)N(C)c1ccccc12 102583792 SKSFWVBZSUXPIL-LOMRAVHASA-N 463.490 1.572 30 10 JDEE Cc1cccc(OC[C@@H](O)Cn2c(N/N=C/c3ccccc3O)nc3c2c(=O)n(C)c(=O)n3C)c1 107163934 FUROPRFWAMFOKP-BIXBROTJSA-N 478.509 1.334 30 10 JDEE 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30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1507751833 RUHRZCYBSGFYLC-GOSISDBHSA-N 471.612 1.140 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cs2)CC1 1507844953 TYVCQDSYSXTXRT-KRWDZBQOSA-N 466.633 1.864 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC)CC1)C(C)C 1508013405 NQIGSFDTRYIXSV-RTBURBONSA-N 458.611 1.389 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1508135903 PBZLORIXYMMTHZ-GASCZTMLSA-N 472.365 1.208 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@@H](C3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508149870 XNUMTYBHWYWFDL-LRXVAGHRSA-N 468.620 1.923 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCOCC2)C1 1516022151 DJVYEIDXFZYPDE-FXAWDEMLSA-N 473.603 1.055 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1517624933 GCYVBWCVUDPSBJ-IUODEOHRSA-N 458.466 1.522 30 10 JDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1539148468 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C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1589047795 JPICIENWUIADKH-UHFFFAOYSA-N 478.626 1.707 30 10 JDEE C=C(Br)Cn1c(C(C)C)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1589295069 CELPESHTLOYOSZ-MRXNPFEDSA-N 457.417 1.973 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC2(CCC2)C1 1594813217 QQSKOZYGCCCQJB-SFHVURJKSA-N 469.608 1.211 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1595465851 AAAKORMPDNAHGB-QHCPKHFHSA-N 453.547 1.412 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1595648592 FUBHFRSIOXKUIO-STSQHVNTSA-N 491.614 1.886 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1611710609 BYATZMWHKKZNAL-IGQOVBAYSA-N 450.487 1.911 30 10 JDEE C[C@@H]1CN(C2CCOCC2)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1620309091 BCUNVHAMCKPNNU-GOSISDBHSA-N 487.630 1.398 30 10 JDEE COc1ccc(C2=NO[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)cc1C 1633758545 FYNFUQSZGAXCKR-CRAIPNDOSA-N 456.524 1.852 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2c3ccccc3OCCN2C(=O)OC(C)(C)C)CC1 1634876448 PQUPIFUTCUCLAE-OAQYLSRUSA-N 456.543 1.251 30 10 JDEE C=C(CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1)c1ccccc1 1635923245 DMMODMLRTFPWAH-UHFFFAOYSA-N 456.524 1.747 30 10 JDEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)cc1 1655531750 AHXWMYSWPJRHRP-UHFFFAOYSA-N 453.567 1.728 30 10 JDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1sc(C(=O)OC)cc1Br 1659644543 FXZQBFPBEUTVHJ-SECBINFHSA-N 456.361 1.108 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC2(C(N)=O)CCOCC2)c1 1689872083 ODSOMAFVLHEYRG-UHFFFAOYSA-N 487.564 1.602 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1689930293 OOCAVLMWDVJUBZ-GOSISDBHSA-N 459.547 1.695 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)c(O)c1)[C@@H]1CCS(=O)(=O)C1 1689978259 QNRPZXZUNSXERR-QGZVFWFLSA-N 496.549 1.315 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689988382 NXPSCGGNDWPRCX-XMSQKQJNSA-N 458.588 1.693 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1689998429 LVCRGRBDCZWQDF-BJLQDIEVSA-N 475.571 1.081 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1690792517 OXHVXWUIOHLAJS-IUBFCHALSA-N 495.559 1.839 30 10 JDEE COc1cc(-c2nnc(N3CCC(CC#N)CC3)n2CC(=O)N2CCOCC2)cc(OC)c1OC 1697250511 FOUAPDQJSMUVMI-UHFFFAOYSA-N 484.557 1.960 30 10 JDEE COc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CC2(C(N)=O)CCOCC2)cc1 1697482071 FOBCWJOCZJAKEI-UHFFFAOYSA-N 454.531 1.888 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705559761 BDGMOLWFSWVKTL-GOSISDBHSA-N 457.556 1.107 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CC[C@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705564765 PWNWEWRBRUXDBV-ZBFHGGJFSA-N 457.478 1.934 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1705568726 UIFGFGHZQGKBOL-QGZVFWFLSA-N 487.611 1.101 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1705571538 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1722433812 HBIQWVMNCNJZMJ-LJQANCHMSA-N 458.632 1.834 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC(C)C)CC1 1722537396 NQHYWRHAHHRJRI-IBGZPJMESA-N 471.624 1.598 30 10 JDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@]2(C)C1)c1ccccc1 1722539046 FAIFODOWIATVJO-IERDGZPVSA-N 460.560 1.633 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1722582852 KRZSUCLDYIDCBG-LJQANCHMSA-N 495.694 1.625 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCCCC2)C1 1722719250 RWZFBCGCVYZDSN-UXHICEINSA-N 482.651 1.268 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(C(C)=O)CC1 1722750067 JUUNBTDPHLBYDF-UHFFFAOYSA-N 495.627 1.008 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1740615478 FKRIEFGQTXTGSN-VQTJNVASSA-N 499.641 1.817 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)N1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1740625054 COOIZELSURAQGN-WOJBJXKFSA-N 493.674 1.688 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1740627600 RHYZCCJFLPZADS-QZTJIDSGSA-N 460.556 1.474 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1740628843 VHQWQVRXXGDPKW-FDDCHVKYSA-N 490.582 1.298 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)COCCO1 1740677626 YCTJHUZDKZCPNM-XMSQKQJNSA-N 462.547 1.765 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCS(C)(=O)=O)CC1 1740707987 YINCSFXGEMHXRB-UHFFFAOYSA-N 479.990 1.521 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1740717646 XOZJYAORILFEAO-MJBXVCDLSA-N 452.524 1.703 30 10 JDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1740782244 IQXQAECCXDISNE-UXHICEINSA-N 475.615 1.318 30 10 JDEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740822666 NITUSDGOMNTMNI-UHFFFAOYSA-N 480.947 1.880 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1740992109 AVZFPDPCNIQGLM-NPPFBWRTSA-N 461.588 1.637 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC2(S(C)(=O)=O)CC2)c1 1748692869 QPPPHDWBJSULLO-UHFFFAOYSA-N 467.555 1.312 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1748801499 BEAYSEPTVKXPHA-IBGZPJMESA-N 472.571 1.050 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1F)[C@@H]1CCS(=O)(=O)C1 1748805007 MVVLWIQDVRQVTD-DOTOQJQBSA-N 483.591 1.011 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N1CCN(CC)CC1 1748840750 IUKVNTZNRAWHSN-HXUWFJFHSA-N 482.658 1.337 30 10 JDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(N2CCOCC2)CCSC1 1748901230 UAQWMNDDPGONEY-DEOSSOPVSA-N 467.643 1.811 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(OC)nc1 1748962321 DZTQIDFOKPKVNH-UHFFFAOYSA-N 462.558 1.990 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCNC(=O)c2cccc(C)c2)CC1 1748978343 KGZPMZXLWPFFHI-SANMLTNESA-N 480.613 1.812 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)c(F)c2)CC1 1749303605 LSYMQOZMVRDNGO-LJQANCHMSA-N 465.551 1.963 30 10 JDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1749434635 ZAPSKSWBICELJE-UHFFFAOYSA-N 453.547 1.908 30 10 JDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1749445757 XKXLOUOROJPMBV-SFHVURJKSA-N 483.639 1.209 30 10 JDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1749456330 BQUYXUXSWBYLLQ-FQEVSTJZSA-N 456.595 1.494 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1)C(C)C 1749558177 QVWFMDPVNUGWCG-VNTMZGSJSA-N 455.607 1.643 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)N1CCOCC1 1749597920 QAZUHZKVYQEJAN-UHFFFAOYSA-N 481.557 1.173 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)c3ccsc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749682447 UIMVEILRGFOADO-HSZRJFAPSA-N 488.614 1.645 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C(=O)NC)cc1 1749685172 AELJGYXLHKCZKM-FUHWJXTLSA-N 461.588 1.612 30 10 JDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1760143566 KGBMBZVZRQYGEE-SFHVURJKSA-N 470.578 1.730 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1760186699 QGPKSVJWGPEYLC-OAQYLSRUSA-N 483.569 1.865 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1760191964 ONIOXGRDFVJCDC-HZPDHXFCSA-N 479.653 1.792 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1760192504 JKBBLYSSCGHEHL-KKSFZXQISA-N 450.536 1.784 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760276082 SCSLUENLCAULAT-MRXNPFEDSA-N 468.626 1.338 30 10 JDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760285623 LRKQZIINAVMLSY-UHFFFAOYSA-N 488.639 1.955 30 10 JDEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)OC)CC1)c1ccccc1 1760363231 HYZPHCDAKOOESU-FQEVSTJZSA-N 489.598 1.714 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1760519794 PVCOQIORKBCRLX-UHFFFAOYSA-N 465.602 1.690 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1760521098 JJVFSQOVMFEWII-SJLPKXTDSA-N 457.579 1.006 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)nnc1C(C)(C)C 1760529042 VMVMMZFIMWGWOB-UHFFFAOYSA-N 454.575 1.971 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1760549137 XCRVFFLZHSYIMF-KRWDZBQOSA-N 482.651 1.396 30 10 JDEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1764896231 DRRKLRWLPHVHPX-XMMPIXPASA-N 466.590 1.467 30 10 JDEE CCCN(CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1765980268 GITJGZUMXGJJCI-UHFFFAOYSA-N 452.607 1.759 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCN(C(=O)CN4CCOCC4)CC3)n2CC(F)(F)F)cc1 1771534557 GVGGHDMNJXEEPO-UHFFFAOYSA-N 493.490 1.272 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(F)F)CC1 1772660191 VZPNCHYYASUGTD-UHFFFAOYSA-N 483.541 1.704 30 10 JDEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc(O)c(O)c2)cc1OC 1862569928 YEUFBACOEYQVNY-FQEVSTJZSA-N 456.451 1.829 30 10 JDEE C=CCC1(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CN(C(=O)OC(C)(C)C)C1 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Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCc1nccn1Cc1ccccc1 2267711714 OYIDGOWVYQTTFO-UHFFFAOYSA-N 457.365 1.443 30 10 JDEE C=C(CS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1S(C)(=O)=O)B1OC(C)(C)C(C)(C)O1 2267722198 JCGSAUSKVOVNJG-GJZGRUSLSA-N 494.441 1.126 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC(CO)(CO)NC(=O)OC(C)(C)C)s1 2270665808 BGYQVOFXHRSWON-UHFFFAOYSA-N 470.397 1.334 30 10 JDEE CC1(C)OB(c2c[nH]nc2C(=O)N2CCC[C@@H]3CC[C@@]32CNC(=O)C(F)(F)F)OC1(C)C 2281985476 JVAPCLFXFAMAJS-CWTRNNRKSA-N 456.274 1.772 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2281990674 PVXCGGYSNRTEMV-RCDICMHDSA-N 462.356 1.465 30 10 JDEE CC(C)(C)OC(=O)N1CC(CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)(C(N)=O)C1 2282188374 UVURXULQJVNMGZ-UHFFFAOYSA-N 459.352 1.438 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H](F)C[C@H]1CNC(=O)OC(C)(C)C 2282341918 ZOQUJSCXIIPCEM-KBPBESRZSA-N 488.391 1.345 30 10 JDEE Cc1nc(S(=O)(=O)N(C)[C@H](C)CCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282507345 GKHOWCYLUWISBM-CQSZACIVSA-N 486.444 1.952 30 10 JDEE CC(C)(C)OC(=O)NCCc1nc(=NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)s[nH]1 2282522512 LPJVVFPBWFROTG-UHFFFAOYSA-N 475.380 1.974 30 10 JDEE CC(C)(C)OC(=O)N1CC(N2CCN(C(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)CC2)C1 2282632344 KFMLBEUUCFGXNM-UHFFFAOYSA-N 461.368 1.956 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2282859976 TXUPIOOAJTZWCS-RTBURBONSA-N 472.420 1.472 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@](CO)(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283064434 VTLTVYVMKORKAM-QFIPXVFZSA-N 462.356 1.268 30 10 JDEE C[C@H](CCNC(=O)OC(C)(C)C)CCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2284003080 LYBHHTIYBAEZDJ-OAHLLOKOSA-N 486.444 1.939 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCc2csc(CNC(=O)OC(C)(C)C)n2)n1 2286749615 VYSBBYBEYRVYTA-UHFFFAOYSA-N 478.384 1.526 30 10 JDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccc(C(=O)O)cc1 2330794145 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AYPJPTPTUYWNBA-GOSISDBHSA-N 472.496 1.995 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(C(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1286386493 BEQCXEGKHCASAL-LJQANCHMSA-N 450.524 1.114 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(C(=O)NCC)CCC2)CC1 1286470305 XBIUTEHMSMQWRD-UHFFFAOYSA-N 498.031 1.923 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc3c(c2)OCCCO3)CC1 1286472288 RSGIFIZHPUKIKX-IBGZPJMESA-N 455.559 1.967 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC2CCOCC2)CC1 1286701160 WBLUXZYOTYBUGZ-FQEVSTJZSA-N 482.651 1.126 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cn2cccn2)c1 1286727504 RRNVJYRTVPMNIC-FQEVSTJZSA-N 471.587 1.526 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC1COC(C)(C)OC1 1286786354 CEUBIAVXIJRCEB-UHFFFAOYSA-N 495.584 1.812 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OCC)CC1 1286814594 CZJKMKHEFQWVSU-UHFFFAOYSA-N 458.544 1.696 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@H]2C1 1286816065 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UPDOUUIKUXSUNZ-XDHUDOTRSA-N 450.543 1.829 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc3cccnc23)CC1 1300711150 SXYQYBGNDVCGFA-UHFFFAOYSA-N 459.554 1.979 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)C(C)(C)C)CC1 1300725010 FJPLCSDRNASACO-SFHVURJKSA-N 465.620 1.351 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCC2CCC(OC)CC2)CC1 1300728863 HVBARIDKXTXIAC-UHFFFAOYSA-N 470.618 1.962 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1300876553 TYUYYOFLFAKXHN-PXCRPINLSA-N 496.678 1.559 30 10 JDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1300960868 QIRKEXXOIWRXPM-UHFFFAOYSA-N 458.588 1.629 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1301025353 WUBMDZPSMONCCA-INIZCTEOSA-N 478.962 1.574 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C)CC1 1301258466 TUBAEBMESOKDNI-GOSISDBHSA-N 461.592 1.198 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)c3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301518136 GMNRUZBJGQRYBC-RUZDIDTESA-N 482.585 1.583 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](N3CCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1301595850 BZBMKUFWOPUGCJ-SIKLNZKXSA-N 467.636 1.596 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nc(C)cs2)CCO1 1301911168 HLDDQROSIBEOOT-IBGZPJMESA-N 467.555 1.883 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1358920434 ZAXSPPLDXKHDLV-CVEARBPZSA-N 467.617 1.903 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccnc(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1358964857 IPDYQNORVDDLHI-SFHVURJKSA-N 488.520 1.935 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1358967283 HIKDBBGSXOYPRB-YPYDEZLTSA-N 494.658 1.753 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358967926 VQLVGQBTLYRVEV-JPYJTQIMSA-N 474.583 1.653 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1359053895 CUMQNGLWRJHBJL-UHFFFAOYSA-N 453.620 1.842 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1359074449 DYIJPJHAPWEGDP-QYXIYQDXSA-N 480.569 1.258 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2noc(C)n2)C1 1359306579 KXQXAIRYDOHDTA-SOLBZPMBSA-N 459.551 1.768 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1359328731 MTITWYJKHIXDDL-KRWDZBQOSA-N 476.603 1.236 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(c2nc(C)ns2)CC1 1359330720 ATQXCXKKKYVRSO-UHFFFAOYSA-N 462.605 1.751 30 10 JDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H](CO)Cc2ccccc2C(F)(F)F)c1 1472525287 CFDPXBBNCNAZSF-OAHLLOKOSA-N 455.458 1.823 30 10 JDEE C#CCN(C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1478505045 XNNCQPFFOMLPRX-SJLPKXTDSA-N 456.609 1.749 30 10 JDEE CCNC(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](COC)C2)CCC1 1502407110 BDJJYDHQVIFVOV-FQEVSTJZSA-N 468.558 1.887 30 10 JDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](c2cccc(OC)c2)N(C)C)CCOC1 1502728397 HRPHTTSNQFCXRY-PQNGQFLHSA-N 470.574 1.970 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](F)(C#N)C1 1503266847 CKNHQWCLQPTDLI-NRFANRHFSA-N 474.566 1.630 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2CC2(S(C)(=O)=O)CC2)c1 1503408122 AZQZDMLKWMYHRF-UHFFFAOYSA-N 492.627 1.513 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCCC1=O 1507538313 LIMRXECOAQIQGS-PXNSSMCTSA-N 455.584 1.809 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 1507631437 DNHYTRFJQXFYMA-PBHICJAKSA-N 484.550 1.133 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1507716408 QNTKRZNJHHFXNA-WOJBJXKFSA-N 459.639 1.451 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1507732354 LMVMNRJLPFIBJB-LJQANCHMSA-N 493.033 1.690 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC[C@H]1CCOC1 1507773556 SZCKEOGNXJTWTO-XQBPLPMBSA-N 481.619 1.046 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(O)c2)CC1 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CCS(=O)(=O)NCCn1c(CC(C)(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1516855232 IAXWVEQNUZAWNV-UHFFFAOYSA-N 460.608 1.399 30 10 JDEE C#CCn1ccc(CN(CC)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)n1 1538918762 VODNJQVWVJPORB-QGZVFWFLSA-N 459.528 1.874 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1539072508 RXAHJTGOHXDZLO-OTWHNJEPSA-N 451.593 1.562 30 10 JDEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539077696 ICAIUOXRDLOXQA-UHFFFAOYSA-N 471.631 1.418 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(Cc2ccccc2)CC1 1539125508 NNRAFXZHIMZANC-QFIPXVFZSA-N 486.642 1.737 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539222622 WWKZNTRVMFQNOC-UWHLTILDSA-N 463.648 1.919 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1539229698 HGSGQZLJYWYSSB-FQEVSTJZSA-N 484.582 1.034 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1539454118 WXGWSVNVYXBHAF-UHFFFAOYSA-N 464.595 1.634 30 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C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(=O)NC)C1 1595536662 DNVDMRAJWUQOJK-RUZDIDTESA-N 492.584 1.501 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1595537260 OSGZDTNNPKMRBE-KRWDZBQOSA-N 489.939 1.286 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1595551337 OUCLTQGWKWRUDD-FXAWDEMLSA-N 468.558 1.978 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2nccc(OC)n2)CC1 1595602830 RZMBSLDNYXPKPQ-YLJYHZDGSA-N 484.605 1.624 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1c1cnn(C)c1 1595823160 KYOUSYQMVGEWKF-KRWDZBQOSA-N 489.627 1.945 30 10 JDEE Cc1nccn1CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1612443557 GHGPACUDRKIJBL-UTKZUKDTSA-N 498.613 1.933 30 10 JDEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)n1 1645480128 NAWSFYVPIPPQML-QHCPKHFHSA-N 452.534 1.513 30 10 JDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C(=O)OC)nn2)CC1 1654438605 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1690193851 UDFWVNRWEFPHRM-IFMALSPDSA-N 466.604 1.251 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(C)=O)CC1 1690235791 DVKCYUKBVNNRAL-SUMDDJOVSA-N 468.624 1.317 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCCOC2)C1 1690236287 KZGMUMJMXWXVSI-DCXXXQMHSA-N 453.609 1.876 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1690237408 YLTFPWSJIOSJPJ-WOJBJXKFSA-N 464.574 1.991 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2CC1 1690313597 YLPOLMLDRGZKIX-NRFANRHFSA-N 475.615 1.809 30 10 JDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1690502789 GWDZBHPRPPUXGJ-LJQANCHMSA-N 451.535 1.618 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1690665536 HGULSPVURVONOI-OAQYLSRUSA-N 467.618 1.861 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1690667143 ROGZKOXOFPUFLH-INIZCTEOSA-N 479.006 1.905 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1690718005 XZPOAOKHEKDHJJ-CQSZACIVSA-N 482.404 1.975 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1690722936 BISVOCDPXYNXQF-UHFFFAOYSA-N 478.663 1.671 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COc2ccccc2)C1 1690724871 XVQJMJVOJLNIKL-RTBURBONSA-N 494.639 1.686 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(C)cn2)CCO1 1690965634 HLEHPRFQNNUBGN-OAQYLSRUSA-N 464.530 1.275 30 10 JDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1 1692346395 CZYUTIJNQGKXTB-RBUKOAKNSA-N 468.624 1.946 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1692780590 CVWRBHSVSJAJRD-XPKAMFKHSA-N 450.609 1.960 30 10 JDEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)C1 1695978043 GBUVHAZIFJTDPX-WMZHIEFXSA-N 453.547 1.598 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1705517028 NNCCXUWLEGFTNO-OALUTQOASA-N 480.635 1.108 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1705566007 LHVVNGFPNBVZNY-MTQWCTHYSA-N 498.671 1.258 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1705571067 WLRFGHPZRUGHHP-IBGZPJMESA-N 483.598 1.060 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCNS(=O)(=O)c2ccccc2)CC1 1705650243 OFWBNUCSCOBURH-UHFFFAOYSA-N 472.615 1.421 30 10 JDEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N(C)CC(=O)N1CCOCC1 1705655080 CJMVRPGLAMQHEG-UHFFFAOYSA-N 481.420 1.708 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1705659247 PRDHGMAEHAGAPP-SFHVURJKSA-N 452.584 1.619 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705705754 KZKKXASJLHCMKY-BBTUJRGHSA-N 460.604 1.715 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CC[C@H](O)C1 1705875804 GTNSWKMRWDDBDH-VXKWHMMOSA-N 471.627 1.974 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1705900409 BTXIEEMCPMYEOT-SFHVURJKSA-N 467.509 1.520 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3cnn(CC)c3)C2)nnc1[C@@]1(OCC)CCOC1 1705908376 APLRISDARWVJQG-PGRDOPGGSA-N 459.551 1.027 30 10 JDEE C=CCOc1ccccc1Cn1c(Nc2cnn(C)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1705915055 SNKODZOSZIFRBZ-IBGZPJMESA-N 473.559 1.701 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccc2OC)C1 1705925159 LTSGVEIKFVWVDA-CTNGQTDRSA-N 491.614 1.644 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(F)cc2)CC1 1705928740 UBEWFYNEDQVFEQ-UHFFFAOYSA-N 464.567 1.483 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1705946409 GYVGJOLIRWYNMV-ROUUACIJSA-N 469.677 1.789 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1CSC 1705947039 YJJBRVXHAKZXMN-HOTGVXAUSA-N 461.679 1.862 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(S(C)(=O)=O)CCC2)C1 1706934611 COEZVBFTOPQYGR-CRAIPNDOSA-N 455.606 1.278 30 10 JDEE Cc1cccc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CC(=O)NCC(F)F)n1 1707600315 FFNFKVJKNNSDTM-UHFFFAOYSA-N 467.484 1.623 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)Oc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1722359703 VSRUJPBWUUQZMN-RTBURBONSA-N 473.599 1.819 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1722359970 BRUGXOKIUKFVAG-LJQANCHMSA-N 468.583 1.947 30 10 JDEE C#CCN(c1nnc(C)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1722363530 GHPJJZLOQNSLGE-MSOLQXFVSA-N 451.593 1.860 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1722363552 GJOFVXDARACHJR-KNQAVFIVSA-N 462.547 1.744 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1722367245 LIJVPBOXIYOHFF-RBUKOAKNSA-N 463.604 1.549 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1CCN(CCN(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1722369769 GRSAOSGGBYKKRD-LEWJYISDSA-N 478.663 1.030 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(S(C)(=O)=O)CCC1 1722375373 NMJOEAROCQPLOT-UHFFFAOYSA-N 489.623 1.236 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@H]1C 1722484428 ICOKYBJERZYHCP-OLZOCXBDSA-N 466.427 1.461 30 10 JDEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)NCCOC)CC1 1722548225 XCUAEQJZDNPNOZ-UHFFFAOYSA-N 476.965 1.353 30 10 JDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1722625617 YGAWZXQOLFSJJX-INIZCTEOSA-N 451.531 1.452 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1722654605 QZMXOEBPJISCNJ-WMZHIEFXSA-N 476.599 1.923 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCC1 1722676828 MAEOOMHWKGWVRL-KRWDZBQOSA-N 482.628 1.976 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(C2CC2)C(=O)C1 1722693349 KWQMEBCNGLITPP-UHFFFAOYSA-N 489.374 1.829 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1722701782 DJJMBBABIWAFCP-INIZCTEOSA-N 471.587 1.163 30 10 JDEE Cc1nc(CCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@H](C#N)C2)n[nH]1 1725455290 AUTZRBRTMNHZJE-DLBZAZTESA-N 471.566 1.791 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CCN2CCOC[C@@H]2C)c1 1740561497 GGOISZKBSWRERB-FNZWTVRRSA-N 496.612 1.707 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1740567661 UOMRCLFQWAIDQV-AWEZNQCLSA-N 478.541 1.587 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1740591985 RZBXIFBRULQWAY-IBGZPJMESA-N 473.574 1.624 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740616289 XUFAGYGJNLFKAJ-LJQANCHMSA-N 476.647 1.263 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCS(=O)(=O)CC1CC1)[C@@H]1CCS(=O)(=O)C1 1740618821 KPNBFEVRIXKULC-OAQYLSRUSA-N 490.651 1.959 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1740624426 GXOWAPBEEGUVNQ-YVGXBJCXSA-N 464.613 1.273 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740626066 RSDAYXKJIRGTIQ-NRFANRHFSA-N 484.626 1.730 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(F)c(F)c2)CC1 1740700771 HHXMBUOJQXCEKN-UHFFFAOYSA-N 456.497 1.806 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(CCS(C)(=O)=O)C1CC1 1740752623 YQSURGMLDBFWMZ-VQIMIIECSA-N 474.587 1.920 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1740782914 XTBKMSSFVIJGPY-QGZVFWFLSA-N 487.648 1.125 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1740787804 LWNPINPGBMGGAH-HUUCEWRRSA-N 468.546 1.554 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnn(C)c1 1740960530 UHXQLTHRZMOBRK-KRWDZBQOSA-N 474.566 1.259 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N(C)CCN1CCOCC1 1740988334 AWKXEBSYYJTEOS-UHFFFAOYSA-N 470.599 1.863 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)NCC)CC1 1740988751 OHPQOJQHOOBMCJ-UHFFFAOYSA-N 492.602 1.415 30 10 JDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C(N)=O)C1 1740996807 IVXWBEVVQCMIPY-MRXNPFEDSA-N 464.617 1.426 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C(CC)CC)N1CCOCC1 1748672061 PYKMXIFURQZNAN-CEWLAPEOSA-N 496.678 1.206 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@]2(OC)CCOC2)c1 1748690037 LSNLVYPIMSHSEX-QHCPKHFHSA-N 454.531 1.278 30 10 JDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC(=O)N(CCOC)C1 1748788597 RMGPNWBRZJZKHY-MOPGFXCFSA-N 474.606 1.957 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCN(CC)CCC)[C@H]1CCS(=O)(=O)C1 1748814808 JFNXOZKKJNQFMS-SFHVURJKSA-N 497.625 1.953 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2cccc(F)c2)CC1 1748858306 OQCROQYSUDFQHB-FQEVSTJZSA-N 471.558 1.555 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-n2cncn2)nc1 1748875005 HOLYTOIOIGKBIA-UHFFFAOYSA-N 452.482 1.412 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1749022762 MDRHXLPXRPWRFG-INIZCTEOSA-N 491.618 1.592 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)NC)CC1 1749024246 KMRROARIEMFPRM-UHFFFAOYSA-N 462.601 1.176 30 10 JDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H](C)C(=O)NC 1749039531 WHDWZBBMDDHDPL-KRWDZBQOSA-N 456.620 1.637 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2OC)CC1 1749039669 YPJURJXELFIOOF-GOSISDBHSA-N 475.640 1.882 30 10 JDEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCOCC1 1749592498 NZIIIVVDZPKTQQ-UHFFFAOYSA-N 450.561 1.529 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1749652578 PGUULZFQEIMXLY-QFIPXVFZSA-N 479.629 1.867 30 10 JDEE CC(C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1)N1CCOCC1 1750523914 CJIXOHFPLDGMPU-UHFFFAOYSA-N 472.615 1.941 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCN(C2CC2)C1 1751190031 AAGBDHFGPWBBSP-APWZRJJASA-N 457.604 1.881 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCOCCCO)[C@H]1CCS(=O)(=O)C1 1760185344 WAJAYMZUCQINPC-INIZCTEOSA-N 452.964 1.624 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc2c(s1)CCCC2 1760205842 LFLIKDABXAEOEU-GOSISDBHSA-N 488.639 1.262 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ncn(C)n2)CC1 1760265185 QYZNTYZTFYBALW-UHFFFAOYSA-N 475.557 1.290 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(F)(F)F 1760337266 PCZGJZURGXTJCS-AWEZNQCLSA-N 455.503 1.940 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760348731 JUOVVIHESBYSQX-FPOVZHCZSA-N 473.622 1.096 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760515677 FTSVIWGJAMJVKE-RTBURBONSA-N 467.574 1.893 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1760517811 YTOBPGPAKVREHY-SJLPKXTDSA-N 476.603 1.501 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1760551852 TYYIGCNIQXSBIZ-VGSWGCGISA-N 457.556 1.802 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1760557687 TXZOURYUUSYEQA-UHFFFAOYSA-N 473.599 1.873 30 10 JDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOCC)cn1CCN1C(=O)CSC1=O 1870672947 NHSLXBUSRIIGMD-UHFFFAOYSA-N 493.582 1.676 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)CSc2nnc([C@H]3CC(=O)N(C(C)(C)C)C3)n2N)nc1C 1874552378 QGDNFECRHMIEKC-LBPRGKRZSA-N 493.615 1.945 30 10 JDEE C[C@@H]1COc2c(F)c(F)cc3c(=O)c(C(=O)N(C)C4CN(c5nccnc5C#N)C4)cn1c23 1891854661 YHWWKYLQHZCLLT-LLVKDONJSA-N 452.421 1.856 30 10 JDEE Cn1nnc(CNC(=O)OC(C)(C)C)c1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2206622291 PFNMQDCXSWOLRN-UHFFFAOYSA-N 458.328 1.786 30 10 JDEE CCN(CCNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255933044 JTZRUELCJNRAJH-UHFFFAOYSA-N 458.390 1.255 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC[C@H]1CO 2267145497 GZGRBCCHEGYCMR-ZFWWWQNUSA-N 450.345 1.057 30 10 JDEE COC(=O)C1(NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267161914 IVOURDXLOUODIB-UHFFFAOYSA-N 467.353 1.335 30 10 JDEE CCCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267366680 JHDQJKRLNWJZIM-UHFFFAOYSA-N 472.417 1.645 30 10 JDEE C[C@@H]1C[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CN1C(=O)OC(C)(C)C 2267366835 LCTYIYIWOXWJRP-KGLIPLIRSA-N 470.401 1.396 30 10 JDEE CON(CCCNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267468155 IJXWKAGSWYWGJL-UHFFFAOYSA-N 474.389 1.186 30 10 JDEE CO[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1NC(=O)OC(C)(C)C 2267713230 MQHKEFIWDWRMNM-ZIAGYGMSSA-N 488.437 1.960 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1COC(C)(C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2281979725 PUTYTUFKSCEMRY-AWEZNQCLSA-N 464.372 1.853 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCOC[C@H]1CNC(=O)OC(C)(C)C 2282055844 JYXNZXRANPAZES-OAHLLOKOSA-N 464.372 1.393 30 10 JDEE C[C@@H](NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2282059412 IJTSAWLSZMUKTK-HUUCEWRRSA-N 463.388 1.880 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 2282179978 PRJBGKAMXAWTKK-LSDHHAIUSA-N 463.388 1.928 30 10 JDEE CC(C)(C)OC(=O)N1CC(CO)(CNS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282344739 DBZNIKWPLMBNMF-UHFFFAOYSA-N 482.408 1.494 30 10 JDEE 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C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1587765159 BQGJHWCBNXKPJJ-QYZOEREBSA-N 452.625 1.333 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1587804365 ZWEBKCFBEOFXGY-HXUWFJFHSA-N 478.601 1.862 30 10 JDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCS(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1588034328 DHHVAOOPZIFGMR-PMACEKPBSA-N 493.655 1.338 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1588039972 GTYWFJNFWCADDJ-HXUWFJFHSA-N 456.572 1.022 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCc1c[nH]nc1C 1588124630 PHYZKAAPYDGMOY-UHFFFAOYSA-N 450.572 1.975 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(COC)CCOCC1 1588138587 GDOWHQJSZADYKI-UHFFFAOYSA-N 463.586 1.968 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC1CCN(CCN(C)C)CC1 1588155041 LSLYXHKJNYXPHC-UHFFFAOYSA-N 458.614 1.863 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)C(=O)OC(C)(C)C 1588181068 NXDAHNKQSFWHBA-MRXNPFEDSA-N 452.581 1.218 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCN(C)C(C)(C)C1 1588214297 PGZAGXLCDSVLSP-UHFFFAOYSA-N 496.685 1.727 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCNS(=O)(=O)CC)CC1 1588780477 QXHCHDWYCFVXBD-UHFFFAOYSA-N 450.996 1.683 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2cccc(C(N)=O)c2)CC1 1588968715 PIMZBMAQCAMVLT-VXKWHMMOSA-N 494.596 1.310 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1593636355 IXYSUFRBKLMZEB-ZACQAIPSSA-N 484.623 1.537 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1593695091 BWEYTZJMEDIQKN-XFQAVAEZSA-N 484.623 1.584 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC(NC(C)=O)CC1 1593746600 JGIAOHABCZFTKT-MHJFOBGBSA-N 498.650 1.087 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1593806402 AGPYBBSMTSFJNK-HOTGVXAUSA-N 457.988 1.360 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCN(CC)CC2)CC1 1594236780 ISACAXBZOPZNBC-FQEVSTJZSA-N 450.653 1.610 30 10 JDEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1594567100 MDMVWALYHFUKNL-UHFFFAOYSA-N 492.588 1.839 30 10 JDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1594825047 UYBLZMFMCNJPAT-UNMCSNQZSA-N 487.649 1.372 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1595530165 VETORRPZYBGUBO-UHFFFAOYSA-N 495.609 1.852 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNC(=O)c2occc2C)C1 1595723535 XSLDILCIAULXMB-ZWKOTPCHSA-N 477.587 1.683 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(COC)CC1 1595884943 XGJRXSIMNBCVPF-KRWDZBQOSA-N 457.622 1.313 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCCC2)CCOCC1 1619912525 FXBAARCCVXRWIY-IBGZPJMESA-N 480.635 1.192 30 10 JDEE COC(=O)c1cn([C@H]2CCN(S(=O)(=O)c3cc(Br)c(C#N)cc3F)C2)nn1 1622003374 HVVOEOXLLNENGG-JTQLQIEISA-N 458.269 1.474 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)CC1 1630963876 DRZAUKNJYAAYBL-KRWDZBQOSA-N 453.996 1.270 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(O)(CNC(=O)OC(C)(C)C)CC2)c1 1643160505 KRAMAQAPVXBFLH-UHFFFAOYSA-N 450.557 1.975 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)c2cccc(S(=O)(=O)Nc3cc(C)on3)c2)n1 1650985324 CSNAEPHKYXKMPT-UHFFFAOYSA-N 457.512 1.902 30 10 JDEE C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)C1=O 1667315069 CLNQEQLFVHJREE-BXWFABGCSA-N 450.561 1.735 30 10 JDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccnc1OCCOC 1689964131 GYQKRWRUBJGFCL-UHFFFAOYSA-N 462.558 1.990 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689989681 HXHPKIXXJGKCGV-DKKFBQAASA-N 484.644 1.011 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1690139113 AIOZGIUDILICLZ-GOSISDBHSA-N 468.558 1.307 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cncn2)C1 1690235622 BQHDCYRHRUJIGQ-MHORFTMASA-N 464.596 1.303 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCNS(C)(=O)=O 1690239111 RIGDJFYGOWPGMT-PKOBYXMFSA-N 497.643 1.315 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1690674966 LTWPVLWCTBPITG-UHFFFAOYSA-N 477.548 1.779 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1690725624 WTMKJWIPGBBOAF-QFIPXVFZSA-N 460.604 1.166 30 10 JDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1=O 1692423708 DUQMNQTYPVUYAI-GOSISDBHSA-N 456.572 1.556 30 10 JDEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1 1693874625 FQCNUPMXVKUTSD-JNAXZKDPSA-N 478.347 1.888 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(N(C)C)CCSC2)C1 1695945199 CRPMPUOEOIJKFR-KNQAVFIVSA-N 489.671 1.772 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1705563277 ULZWTOQWCARLRK-KRWDZBQOSA-N 467.580 1.906 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1C 1705597557 JGYQUPJRXCPHOZ-OAQYLSRUSA-N 473.574 1.764 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)c2ccccc2)CC1 1705634740 HSJKZFKSMNTFHF-DEOSSOPVSA-N 487.626 1.548 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)CN2CCCC2)CC1 1705643608 MDCVODAYULVHQI-UHFFFAOYSA-N 457.623 1.504 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCn2cc(Cl)cn2)CC1 1705650533 UEYQDORGGXLDCB-UHFFFAOYSA-N 452.950 1.780 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1705897784 UHGXVYSHDSYBCO-NSHDSACASA-N 460.482 1.244 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1705906566 JABKGAGSXXFHGI-SFHVURJKSA-N 456.522 1.890 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(N3CCOCC3)c2)C1 1705915300 JTDYXPMBCRJJBH-WIYYLYMNSA-N 490.630 1.555 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(O)CCN(C)C2)C1 1705917453 VHCXDJLZMAMWOK-HNAYVOBHSA-N 451.369 1.884 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1705934177 DDOAXZMKBQCZRO-FQEVSTJZSA-N 465.539 1.785 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CCSC3)CC2)c1C#N 1707807621 HMWLVTFANZUWLQ-INIZCTEOSA-N 457.608 1.410 30 10 JDEE Cn1cccc1-c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCNS(C)(=O)=O 1711265373 AGBULDQXWWFPGO-UHFFFAOYSA-N 482.614 1.417 30 10 JDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCOCC2)cc1Br 1711774449 GACRMAKHKQUNLZ-HNNXBMFYSA-N 478.347 1.986 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722362316 SUDBKAHAGBPPBA-NZQKXSOJSA-N 451.552 1.875 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722367983 OADLPFOIIRKXHO-DOTOQJQBSA-N 481.500 1.923 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCSCC2)cc1 1722381678 AMJBIFYTWZJSHJ-HXUWFJFHSA-N 469.636 1.855 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2cc(C)no2)CC1 1722464285 AJUVFVJRGHKXGA-ICSRJNTNSA-N 460.604 1.987 30 10 JDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccnn2)CC1 1722477099 BJXGXJCJWFXWDA-UHFFFAOYSA-N 470.335 1.951 30 10 JDEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722479827 HNFCUEGHAPSMTI-GFCCVEGCSA-N 483.729 1.793 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1722487844 UYJKVQBBPPUPNB-ZBFHGGJFSA-N 453.385 1.466 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1722556054 NRLPJRWIPCFWNK-FXAWDEMLSA-N 485.969 1.601 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(CC)C1 1722629358 KDHKHJMPVLGKRL-YLJYHZDGSA-N 457.597 1.209 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCCC2)CC1 1722630241 XPVBWLQRDRRHSP-OAQYLSRUSA-N 496.678 1.658 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CC 1722672791 YUTVLPKZUNUZCP-RBUKOAKNSA-N 452.625 1.664 30 10 JDEE C=CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1722677341 AZNFIOZHZJXKBH-JOCHJYFZSA-N 472.571 1.319 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1722698635 JDMWUEAYJMLCKS-HTAPYJJXSA-N 494.017 1.320 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1722703374 ZVZPXFRLCRULLD-QKNQBKEWSA-N 471.606 1.909 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(S(C)(=O)=O)cc2)C1 1722709772 XXRJHICZGBJZKZ-LJQANCHMSA-N 473.599 1.942 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1722730774 CHEMMZDDYQUHJA-JZXOWHBKSA-N 474.587 1.216 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnc2C)CCO1 1722847423 BJUIKSZZQPKNML-QFIPXVFZSA-N 478.557 1.665 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(CN4CCCC4=O)n3C[C@@H](CC(C)C)N(C)C)CC2)c1C#N 1725867436 IBMVTTAXHAAAJE-HXUWFJFHSA-N 496.664 1.617 30 10 JDEE CCN(CC)[C@@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1728369496 GRBPVVFRKWPNDC-DLBZAZTESA-N 450.547 1.651 30 10 JDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1729658124 GLSCOMIYWUIEDA-IEBWSBKVSA-N 456.572 1.604 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCN(CC)CC1 1740546911 LOIFBYKDUUVKJX-LJQANCHMSA-N 462.602 1.678 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1740591887 QTEULPQYQHYYFA-IBGZPJMESA-N 476.559 1.612 30 10 JDEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1740626787 CNGXWRIWPCLDTI-HTAPYJJXSA-N 492.623 1.357 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@](=O)C(C)(C)C 1740637959 FPHNOVCNZOLZCR-HKBQPEDESA-N 460.629 1.858 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCOC[C@@H]2CCOC2)CC1 1740704252 KPKLINRDXYUKHZ-IBGZPJMESA-N 452.559 1.749 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCS(=O)(=O)N1CCSCC1 1740722331 AJELFLBJOJCZMM-OAQYLSRUSA-N 482.676 1.567 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CCNS(=O)(=O)Cc1ccon1 1740729926 PPACFUWZJZXBHA-JOCHJYFZSA-N 465.539 1.916 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N(CC)CC)CC1 1740763911 RGHBXXSYIYEFDP-UGKGYDQZSA-N 473.622 1.966 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)C 1740923810 WGPKHLATYHESBX-SJLPKXTDSA-N 468.649 1.815 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)COC)CC1 1740950275 AQHIEPLEKOBHOX-INIZCTEOSA-N 450.540 1.068 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1740955366 SBFGBZJBORFYJA-IYBDPMFKSA-N 464.320 1.580 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@]1(O)CCCC1(C)C 1741675640 GRFADOWEHVOVHS-BXKMTCNYSA-N 481.605 1.734 30 10 JDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCCCCC1 1747664888 FUWRHTVVLJODOV-UHFFFAOYSA-N 479.585 1.904 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCN(C(C)=O)C1 1748651405 LXVAVTZESGBFBU-IEBWSBKVSA-N 472.615 1.912 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1748806043 YZYXJEOGQRUXOF-IRXDYDNUSA-N 498.602 1.619 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC(F)F)OCO2 1748962597 LXIGLFVXRRJAAH-AWEZNQCLSA-N 498.508 1.645 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1749009646 UTQIRQPLVRBMBK-UHFFFAOYSA-N 484.626 1.972 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCC)CC1 1749014628 LCPZOQLAWOFTKB-LJQANCHMSA-N 490.605 1.589 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@@H]2C1 1749038389 RCNUWVCHIYHRNR-OALUTQOASA-N 492.646 1.474 30 10 JDEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749089940 GDYSHUFZSVDFJG-CQSZACIVSA-N 461.320 1.009 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1749114708 GAXWANKMLHCGRR-HBMCJLEFSA-N 459.639 1.614 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccs2)CC1 1749193984 VYCCLOGFUBFITA-MRXNPFEDSA-N 452.606 1.575 30 10 JDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N1CCN(CC)CC1 1749483314 ZRGFWUVEEVSGRO-SFHVURJKSA-N 460.652 1.886 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1CC1(O)CCS(=O)(=O)CC1 1749544823 OMNLXUPUYCFYRV-UHFFFAOYSA-N 491.589 1.672 30 10 JDEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1 1749756127 SRLOFDYYHIHYEY-MRXNPFEDSA-N 466.608 1.832 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC2CCOCC2)c1 1760097879 LHMXSFWEJMADMD-CVEARBPZSA-N 462.576 1.347 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1760154225 BYSKYRBITRGHIM-IAGOWNOFSA-N 480.616 1.367 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760179776 ZLHWVTPUEZKMJU-MOPGFXCFSA-N 464.636 1.163 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1760184222 HDJWSSDORLOWMQ-GOSISDBHSA-N 459.572 1.495 30 10 JDEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1760192708 MJSGGRAOTMMIAW-AKHDSKFASA-N 493.630 1.712 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1F 1760205849 LHTJUESLDSGYSW-GOSISDBHSA-N 465.938 1.525 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[S@@](=O)C(C)(C)C)CC1 1760266249 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2256639380 IJFOGWLPMDXWEF-ZDUSSCGKSA-N 455.386 1.988 30 10 JDEE CC[C@@H](CN(CC)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2267261840 XNKNOBSEEIHRFE-AWEZNQCLSA-N 451.377 1.880 30 10 JDEE CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268623313 NOYUKWLDACOOKG-QWHCGFSZSA-N 468.385 1.660 30 10 JDEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@H](O)C1 2268711318 LYJHLXKJLRMMRQ-IPVJXJPOSA-N 451.304 1.877 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@@](CO)(NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2281809154 GJCGFKIZWOJANU-HSZRJFAPSA-N 461.368 1.873 30 10 JDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(CCO)CCNC(=O)OC(C)(C)C 2281825117 OWFKIVBBRNHQAK-UHFFFAOYSA-N 464.368 1.954 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC(CO)(NC(=O)OC(C)(C)C)CC2)n1 2282049130 UYBWHTCSMQRVQP-UHFFFAOYSA-N 464.372 1.211 30 10 JDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282076192 DROAWUNECQKZRA-UHFFFAOYSA-N 468.306 1.976 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2282186146 QALTVDNWMCINHB-GTQRCTGISA-N 460.340 1.330 30 10 JDEE COc1ccc(C(C)=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@H](O)COc2ccccc2)cc1 2327751701 XVRWPCAJOSPSQT-SFHVURJKSA-N 492.536 1.718 30 10 JDEE CC(C)(C)OC(=O)N1CC2(COC[C@@H](CNC(=O)[C@@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)O2)C1 2334271962 NSHKUZODCCFCGR-BZUAXINKSA-N 452.357 1.990 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)Nc1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2359390690 OITZDZQAFVMVTF-IXDOHACOSA-N 482.770 1.919 30 10 JDEE C[C@@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)C(CO)(CO)NC(=O)OC(C)(C)C 2370331823 LGNUBAMYHSSNIP-AWEZNQCLSA-N 484.424 1.815 30 10 JDEE C#CCN([C@@H]1CCc2ccccc21)[C@@H]1O[C@H](C(=O)OC)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 77312828 CCWDKVIEVCQLFZ-ZIKOEFHUSA-N 487.505 1.302 30 10 JDEE in-vitro CC(=O)OCC1=C[C@@H]2[C@@H]3C(C)(C)[C@]3(OC(C)=O)[C@H](OC(C)=O)[C@H](C)[C@]2(O)[C@H]2C=C(C)C(=O)[C@@]2(O)C1 101272916 LASMKIAVFGUYEG-GUYNWZIPSA-N 490.549 1.643 30 10 JDEE COC(=O)c1ccc(CN2CC(=O)C(c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)=C2N)cc1 170178768 QWVBCAHBZBGCFX-UHFFFAOYSA-N 460.538 1.814 30 10 JDEE N/C(=N/O)[C@@H]1CN(C(=O)c2cc(Br)ccc2I)CCO1 236329853 NGRAXGNLMWSPAA-JTQLQIEISA-N 454.062 1.641 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1C[C@H]1CCCO1 603800409 XGUJAGNXTZFCOA-MRXNPFEDSA-N 474.380 1.657 30 10 JDEE N#CC(C(=O)c1cccc(Cl)c1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(N)=O 729672308 HTLFYAKFBGDHJN-UHFFFAOYSA-N 463.906 1.082 30 10 JDEE C=C(Cl)C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Br)s1)C(=O)OCC 1171431532 YVZMADGZENQJPZ-SECBINFHSA-N 459.771 1.979 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC23CN(C(=O)OC(C)(C)C)C3)s1 1181289445 HGEKAEIUCPFFTR-UHFFFAOYSA-N 457.574 1.561 30 10 JDEE C#CCN1CCN(C(=O)CN2C[C@@H]3CC[C@H](C2)N3C2CCN(C(=O)OC(C)(C)C)CC2)CC1 1197808246 CWVKDSXPCRLFPU-SZPZYZBQSA-N 459.635 1.312 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCN(C)C 1286296474 PGVKOVNBWRWRRC-MSOLQXFVSA-N 450.584 1.623 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccncc2)c1 1286311503 MXWNIRIRBZNYIV-FQEVSTJZSA-N 478.578 1.874 30 10 JDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1286336405 RKPQEWJYQQCYQE-UHFFFAOYSA-N 452.559 1.730 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2)CC1 1286353494 XVFLVMYGHNTHOK-HXUWFJFHSA-N 458.588 1.351 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286387581 SNWDCOWBDNAOHI-LJQANCHMSA-N 456.572 1.369 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1286387985 JNBAFEHYQRVTMW-QGZVFWFLSA-N 489.598 1.361 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1286390664 DOBRYATWGIOZIF-IBGZPJMESA-N 487.626 1.471 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286396668 XBMBOSDHOFPEGM-IRLDBZIGSA-N 471.627 1.525 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCC(=O)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286397459 ZMUKOGPNLNCJTE-AZUAARDMSA-N 471.583 1.828 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1cc(Cl)cn1 1286461334 XGFJDDOMTDFZSO-UHFFFAOYSA-N 462.963 1.985 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1286489483 UXFPGENVPYLEAT-UHFFFAOYSA-N 485.610 1.887 30 10 JDEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286604067 DUXJADIHLODSAJ-CZUORRHYSA-N 468.352 1.989 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1286819813 WTLWPVZQIRQBIH-UHFFFAOYSA-N 486.645 1.032 30 10 JDEE Cc1nn(C)c(C)c1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1290555845 FICHCUDADLDYGV-LJQANCHMSA-N 476.607 1.140 30 10 JDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 1292667150 APZDBJQGIMTQNX-SFHVURJKSA-N 455.584 1.786 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1296297169 GPJMKYKAHHGZJX-IRLDBZIGSA-N 497.600 1.038 30 10 JDEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C1 1299094058 BZRDZLHEGSARBG-GOSISDBHSA-N 467.574 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457.531 1.893 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)c2cccs2)CC1 1508140023 FZTGGNPCSBUKAV-MRXNPFEDSA-N 477.612 1.991 30 10 JDEE CC(C)N(C)CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1509501707 CASIHDFUTKJQFS-UHFFFAOYSA-N 465.606 1.838 30 10 JDEE Cc1nc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)sc1C 1510419445 FXIZHHBBYXBNDJ-CZUORRHYSA-N 467.621 1.523 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1516846124 CBCIBFMGBSEQSP-RBUKOAKNSA-N 460.560 1.140 30 10 JDEE COc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2CC(=O)N2CCOCC2)cc(OC)c1OC 1517953306 AZNKPTHASJTFTO-OAHLLOKOSA-N 458.519 1.426 30 10 JDEE N#CCCN(CC1CC1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1521148611 BDSHVCFMNJJQRD-QGZVFWFLSA-N 469.512 1.907 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCOC[C@H]1C 1539299130 FMNIUBGXSFYLCJ-LJQANCHMSA-N 483.642 1.730 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(C)n(C)c1=O 1539305348 XZGQXPSMZADXPN-UHFFFAOYSA-N 492.605 1.714 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1539467521 SZUAZHKVOCOYCT-AREMUKBSSA-N 491.596 1.591 30 10 JDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1539517423 NKVGORYKBURCOU-IEBWSBKVSA-N 467.661 1.979 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(COC)CC1 1539630650 GMPGWBYIIYVPNG-AQNXPRMDSA-N 483.635 1.455 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1540854869 JVWDDHAUITUOBJ-FUHWJXTLSA-N 461.588 1.902 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](COCc2ccccc2)C1 1540861981 NSGMSLCKSZZLTH-FQEVSTJZSA-N 452.559 1.859 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1540867563 ZRYIFHRDDIFASQ-IBGZPJMESA-N 490.612 1.832 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1540871079 DAEYDLHSTZKZTD-SFTDATJTSA-N 486.642 1.583 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1540874884 VBQARIZQLRCKMC-UHFFFAOYSA-N 482.614 1.993 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1540907678 DZZLZSOXIQHZBB-KRWDZBQOSA-N 491.643 1.849 30 10 JDEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cccc(OCC(N)=O)c1 1541470046 BKZBFXMHBMEGSS-UHFFFAOYSA-N 474.569 1.982 30 10 JDEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)NC)cc1 1547978147 FYBDINFUHDXJQX-QAPCUYQASA-N 464.548 1.095 30 10 JDEE N#Cc1ccc(N2CCC([C@@H]3CN(C(=O)CN4CCOCC4)C[C@H]3C(N)=O)CC2)cc1C(F)(F)F 1548391338 OUMYTTMJACHJTB-VQTJNVASSA-N 493.530 1.686 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1588040387 MKNNUSFAWIAGGC-IBGZPJMESA-N 473.990 1.987 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1588054906 PTBGYLJXHMCQOW-RDJZCZTQSA-N 452.968 1.349 30 10 JDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1588263198 QWJGQPPIPTVFHQ-KRWDZBQOSA-N 479.006 1.603 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1588559454 HRFKAADAKSBIBC-UHFFFAOYSA-N 460.579 2.000 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1595476134 IGPQFXRJOLPQFG-HOCLYGCPSA-N 459.938 1.588 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1595476954 PFTICKMTASEMAO-QGZVFWFLSA-N 458.538 1.961 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1595506906 QBAWOHRGWDDVDB-JOCHJYFZSA-N 475.571 1.280 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1595537730 XFPIPUANZFMMIY-HNNXBMFYSA-N 457.535 1.049 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](NC(=O)CC)C1 1595577172 KQFAIZJREARRTB-HNNXBMFYSA-N 459.576 1.067 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1595648587 FUBHFRSIOXKUIO-IEGUWTFLSA-N 491.614 1.886 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnn(C)c1 1595765422 AQOYWUNYXUXEKN-UHFFFAOYSA-N 478.600 1.319 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1595830793 HGLCIMZYMNAKMH-IAGOWNOFSA-N 450.565 1.881 30 10 JDEE N#Cc1c[nH]c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NC[C@H]2CCCO2)c1 1597001958 GHGZINLJBZXIBS-MRXNPFEDSA-N 459.528 1.750 30 10 JDEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1619589533 FWALBFPQRCPPOS-QGZVFWFLSA-N 476.603 1.871 30 10 JDEE C=CCC1(O)CN(C(=O)c2cc(Br)cn(CCNC(=O)OC(C)(C)C)c2=O)C1 1638023804 KPEOSINCYFFKFS-UHFFFAOYSA-N 456.337 1.899 30 10 JDEE CCOC(=O)N1CCN(S(=O)(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CC1 1661760052 GUSOKPHNYQNXQH-GOSISDBHSA-N 455.968 1.541 30 10 JDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H]3CCCN(CCN4CCOCC4)C3)C2=O)cc1 1686083603 CDSIQSALODTJIV-IFMALSPDSA-N 454.575 1.149 30 10 JDEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1689874785 BEHMBHOWUZNGIQ-GOSISDBHSA-N 455.950 1.879 30 10 JDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1689977706 AZBJSDVTZQSAMG-OALUTQOASA-N 492.001 1.667 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690049891 LROVINMDFYQFOJ-IRLDBZIGSA-N 466.611 1.931 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCCNS(C)(=O)=O)CC1 1690113815 VRCHQXFOXNHTON-UHFFFAOYSA-N 467.599 1.496 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(NC(=O)OC)c2)CC1 1690130227 BSHYGLCUTCBRQF-UHFFFAOYSA-N 451.531 1.382 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(O)CCSC2)CC1 1690138127 SORJRZHIDCVLCE-DEOSSOPVSA-N 485.610 1.796 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCOCc2ccc(OC)cc2)CC1 1690142321 LPLKTMSLZDRXNM-UHFFFAOYSA-N 477.569 1.870 30 10 JDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1ccc(OC)cc1OC 1690287885 YVXJPLLGAPOUJN-KRWDZBQOSA-N 450.561 1.772 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1690662644 BWPYPZGJHZFAIG-SFHVURJKSA-N 486.598 1.242 30 10 JDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C)C(=O)C1 1690736537 IJIXBTNDIHCOJT-UHFFFAOYSA-N 464.617 1.393 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1705559861 BOGGKLRCJBYMAZ-REWPJTCUSA-N 458.584 1.914 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CC(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1705564315 BQWPHLYLHMKCDQ-ZWKOTPCHSA-N 468.645 1.633 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1705564613 DARVLJDCGBBRFT-ROUUACIJSA-N 479.603 1.276 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1705567851 AXDJQFZWCFDEFY-CVEARBPZSA-N 461.613 1.942 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H](C(F)F)N1CCOCC1 1705592998 BNIRCAUPZDWYKT-NRFANRHFSA-N 495.538 1.740 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1705648027 PDZIRLNXEIOMNC-RTBURBONSA-N 455.607 1.315 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCC[C@H](C)C2)CC1 1705651155 MDPKQIXKHBQVPD-IBGZPJMESA-N 466.634 1.837 30 10 JDEE C#CCSCCn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705664845 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C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1722363430 TZUVLKWNEPWOEF-IRXDYDNUSA-N 461.588 1.539 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(CC)(CC)SC)[C@@H]1CCS(=O)(=O)C1 1722369352 YEHXJXPNMIZBPI-CVEARBPZSA-N 453.634 1.778 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1722369945 JEZSSAWTABAXTP-FHWLQOOXSA-N 465.620 1.113 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1722372143 QGLPEBXJMWTYOD-SESVDKBCSA-N 474.583 1.332 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(OC)c1 1722396526 JHFGZAGMXRBKDB-IBGZPJMESA-N 469.567 1.082 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1722418880 GOHRPRTYEDODFY-GOSISDBHSA-N 494.017 1.772 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC(O)CC1 1722447382 LVEGBKCJQXVBSY-QFIPXVFZSA-N 466.586 1.320 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1722695186 WMQLNLSVIKYIPM-UHFFFAOYSA-N 468.558 1.713 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1722701768 CRVHPLBXDOSZSF-HSZRJFAPSA-N 454.531 1.807 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCOC3(CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722736881 LJBCZTQXTRRAMF-QFIPXVFZSA-N 484.619 1.305 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1722750164 LEBBVESEAOVVSD-UHFFFAOYSA-N 464.555 1.534 30 10 JDEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1 1722835453 HFSPDBLPGVDLCX-UHFFFAOYSA-N 465.558 1.418 30 10 JDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1730417892 CXUVFRFQRISOAO-JOCHJYFZSA-N 481.601 1.469 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1C[C@H](C)CN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1740623348 RUUNNLCUGCWJEX-IRLDBZIGSA-N 476.691 1.836 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1CCS(=O)(=O)N1CCSCC1 1740635537 PSKVTNXLMPDLOA-UHFFFAOYSA-N 459.597 1.405 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cccn(CC)c2=O)CC1 1740699392 DXRJLDKBKJEPJA-UHFFFAOYSA-N 457.538 1.714 30 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1.800 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCCN(C(C)=O)CC1 1749738848 YYMZJTOFASYIEJ-UHFFFAOYSA-N 461.588 1.559 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(C)OCCc2sccc21 1751213384 IDJMHIJZYBHPRS-MJXNMMHHSA-N 468.580 1.880 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1760117602 RASJFTDUOYJCND-XKGZKEIXSA-N 471.583 1.804 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760185597 ZYCONFQGPMDBLD-QGZVFWFLSA-N 473.599 1.743 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1760187704 LMWSAKPBYCBUHG-QZTJIDSGSA-N 462.547 1.799 30 10 JDEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)NC(C)(C)C)c1ccccc1 1760363592 QOGCEHASDAVHQA-IBGZPJMESA-N 490.630 1.675 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1760412324 ZNZNHXBUERCVOF-KRWDZBQOSA-N 470.578 1.889 30 10 JDEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760512605 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Cn1ncc(C(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267515947 WGHFXYSANOSGLB-MOPGFXCFSA-N 484.362 1.533 30 10 JDEE CO[C@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2267520008 LNAFFSYMHARUOX-GJZGRUSLSA-N 450.345 1.083 30 10 JDEE CC(C)(C)OC(=O)NCCN1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CC1 2267535585 YFCGDLLFWRMHGF-UHFFFAOYSA-N 466.413 1.725 30 10 JDEE C[C@@H](NC(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2268636456 CZYAHLCLQNUERV-CYBMUJFWSA-N 467.397 1.991 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CN(c3cccc(B4OC(C)(C)C(C)(C)O4)n3)CCN2C1=O 2281488240 NANSYALZFXXVNA-CVEARBPZSA-N 458.368 1.695 30 10 JDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=c1nc(CNC(=O)OC(C)(C)C)[nH]n1C 2281967584 ZFHVUBJPSXFLRH-UHFFFAOYSA-N 478.384 1.578 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1 2282040010 CURSJYRSLIJROU-LSDHHAIUSA-N 464.372 1.521 30 10 JDEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@]1(CNC(=O)OC(C)(C)C)CCOC1 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COBQLXXYQCVUDD-UHFFFAOYSA-N 484.534 1.135 30 10 JDEE C=CCN(CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)cc1 658482185 QSBOJUSMYXHTJY-QGZVFWFLSA-N 458.602 1.544 30 10 JDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1F 729671775 ORJNYUUDFYBUFD-UHFFFAOYSA-N 459.506 1.811 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(C)c(OCC(=O)N3CCCCC3)c(C)c2)CC1 1140132657 LPFKONMGEMKGAI-UHFFFAOYSA-N 454.571 1.202 30 10 JDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1286311546 JFFSISJXEGYGKO-UHFFFAOYSA-N 472.615 1.872 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286380939 KGJGGBAQFFCQNW-WOJBJXKFSA-N 490.605 1.485 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1286381394 GJGZNMZEZMGDTG-SPEDKVCISA-N 466.604 1.372 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1286395083 LDVYZNBVOHLVFO-SFHVURJKSA-N 489.529 1.806 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1286396573 WDHUCSMLFDKVAJ-SJORKVTESA-N 498.577 1.328 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCS(=O)(=O)C1 1286415981 UEMGJAMKBXNVJP-QRVBRYPASA-N 475.615 1.946 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCNS(C)(=O)=O)CC1 1286479441 TYZANWUIOVVERE-UHFFFAOYSA-N 450.996 1.217 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)cc2)CC1 1286491930 BPUHCQRQKXMPSY-SFHVURJKSA-N 476.002 1.848 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(NC(C)=O)cc2)CC1 1286494919 QQHPNUFIMPIIRT-GMAHTHKFSA-N 494.596 1.975 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)NC 1286514915 CBLCLFVOZKQKEU-QGZVFWFLSA-N 455.382 1.587 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1286670822 LIZXJSNAEQPGTB-IBGZPJMESA-N 457.623 1.966 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1286699292 BQLPBNNUZSJRLL-IBGZPJMESA-N 495.650 1.305 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1286780696 YZBMGBLFAYHYEQ-DZGCQCFKSA-N 462.352 1.585 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(F)cccc1Cl 1286787438 GABGTEMRTOMRGX-ZDUSSCGKSA-N 455.943 1.911 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](CN2CCOCC2)C1 1286791678 ZAFIDZMOJONGCE-GOSISDBHSA-N 474.556 1.998 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1286816662 MJBGKHDVOOCQSU-GAJHUEQPSA-N 492.598 1.947 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCSC2(CCOCC2)C1 1286820313 JHBQDSUICZHCHJ-KRWDZBQOSA-N 456.634 1.875 30 10 JDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1286823034 KGROPEDSXMMHQY-UHFFFAOYSA-N 477.679 1.860 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1300364495 KWWLEZIBKUVOPT-WEZXKFLESA-N 493.655 1.788 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(OCCC)c1 1300464306 AIJPZIYHWNRGMI-HXUWFJFHSA-N 461.588 1.712 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sccc1Br 1300465597 PELFWJIWYQBGKZ-ZDUSSCGKSA-N 474.406 1.553 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300482476 GFUDVHITXGJBLK-VNHKHXMHSA-N 480.631 1.497 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(NC(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1300496664 SYRRHKMRCCATEN-UYAOXDASSA-N 486.598 1.551 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCOC[C@H]2C)n1 1300681445 PTMYOWAVKPIDCI-MOPGFXCFSA-N 452.563 1.834 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](C)OC)CC1 1300712294 OFOHQWVLWPXQOY-INIZCTEOSA-N 472.977 1.862 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1300715857 GMSIBAQLXBZRCI-OAQYLSRUSA-N 494.596 1.843 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1300761295 AWCXDDUFFFBHCK-INIZCTEOSA-N 477.587 1.539 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C(C)C)CC1 1300762383 IVIIFRAMWYGPHU-INIZCTEOSA-N 453.634 1.288 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1cc(OC)cc(OC)c1 1300952543 XOIAVFVEPLYIHX-SFHVURJKSA-N 451.549 1.972 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1300990035 ICHVISIBLGPEHE-AEFFLSMTSA-N 450.565 1.084 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1301295851 AYVHLEIAJCLVRQ-KURKYZTESA-N 498.650 1.879 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1301458253 QBCDJIAXQVYPKH-FQEVSTJZSA-N 478.594 1.648 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@H](C(=O)NC)C1 1301575150 CEGADLRBNHXJSB-WBVHZDCISA-N 493.655 1.683 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1301596185 JYXLONLDSSFVMN-RADWXHQJSA-N 465.620 1.656 30 10 JDEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 1313957114 CZWJYQUTAKWHIF-NRFANRHFSA-N 471.631 1.468 30 10 JDEE 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485.614 1.439 30 10 JDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1539119994 PUSQPABQTFDMEN-HXUWFJFHSA-N 452.563 1.207 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1539203310 PIJBGOIBIVYQLS-GDBMZVCRSA-N 486.019 1.217 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CCS(=O)(=O)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539203940 WHEWZKICJCGARA-LJQANCHMSA-N 478.640 1.817 30 10 JDEE C#CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1539212710 RQGGCHHQHLEHOF-VOFKWLDRSA-N 452.544 1.514 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(N(C)C)cc1C)[C@@H]1CCS(=O)(=O)C1 1539219941 GDUHERGSWRXUPJ-TZIWHRDSSA-N 457.600 1.831 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1539229458 DHJIPWZEBSILON-KRWDZBQOSA-N 477.562 1.538 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1539231669 WRHSGWPSEIEIJS-IBGZPJMESA-N 487.626 1.955 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2cc(C)nn2C)CC1 1539434659 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CCc1nn(C)c(CC)c1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1546390839 GFAVLLFDLBJLAD-DNVCBOLYSA-N 478.623 1.256 30 10 JDEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CC(=O)N(CCOC)C2)cc1OC 1547956747 CPTFPPXGQXARIU-HKUYNNGSSA-N 484.557 1.576 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C[C@H]1C 1555597083 HNBCZVUNBSKSKO-HXUWFJFHSA-N 484.601 1.817 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1588030600 YBAWQMUTDWOJCN-SFHVURJKSA-N 480.550 1.609 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1588034479 GSPKDTWPHMRART-GCJKJVERSA-N 466.604 1.516 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCCS1(=O)=O 1588233338 HNADGYCVXZHTMB-FQEVSTJZSA-N 455.540 1.289 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCN(CC)CC1 1589216090 JLMCLUHHMJZZOT-SXWKCWPCSA-N 462.664 1.446 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H]1OC 1589216585 SCNVIGRYXAIILK-RYLXDESZSA-N 451.593 1.418 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCS1 1595303731 ZABRNVPEHBLJPJ-APWZRJJASA-N 459.638 1.536 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(C)cc1 1595550865 JATFRMUXHITIIT-VQTJNVASSA-N 488.614 1.563 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1595556548 XOOFDHWZBJTYQI-QGZVFWFLSA-N 459.457 1.719 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(F)c1 1595797036 DICFKUWYDBIAQG-MRXNPFEDSA-N 456.565 1.557 30 10 JDEE CC(C)(C)S(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1597693956 HXHJJNYMEBQGBC-ZDUSSCGKSA-N 471.381 1.978 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCN2CC)CC1 1615952070 IDUDRAVSHHSJAO-QFIPXVFZSA-N 494.644 1.861 30 10 JDEE C=CCN(C(=O)Nc1cnc(N2CCOCC2)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 1624160137 DTAOIWMTJDUPDK-CQSZACIVSA-N 459.366 1.888 30 10 JDEE C=CC1(CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)CN(C(=O)OC(C)(C)C)C1 1630917824 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1690375925 XOPBBFJBYFGTKV-LJQANCHMSA-N 454.641 1.886 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(CC)C(=O)C1 1690499985 IAMGRDTXRZRLMM-UHFFFAOYSA-N 461.588 2.000 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(C(N)=O)CCOCC2)C1 1690690382 XMBIZBKIYMJEFM-GOSISDBHSA-N 489.598 1.412 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@H](C)N1CCOCC1 1692530756 BTUXSMXJQSVHTG-FQEVSTJZSA-N 480.617 1.725 30 10 JDEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)C1 1696205847 HJXNRTRFVLPABM-VHJYZYJHSA-N 454.531 1.326 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCN1CCCO 1705492937 ZTZFWZQXVMXJHI-FPOVZHCZSA-N 452.607 1.757 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)c1ccccc1 1705496093 ZNUCVWCCBWOBGB-UYAOXDASSA-N 460.604 1.595 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CCSC2)c1 1705505284 LAIHDUUWQMCUTO-JTSKRJEESA-N 454.556 1.153 30 10 JDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(=O)COC)CC1 1705534722 POIPFIYVFUNNGW-LJQANCHMSA-N 490.605 1.731 30 10 JDEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCCNS(C)(=O)=O 1705545018 MDEWSLDWQGEBHP-UHFFFAOYSA-N 456.366 1.725 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1705561632 RZNCNWPELSNJCN-DFQSSKMNSA-N 489.554 1.532 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1705563079 QNLLOHATCVGCEW-MSOLQXFVSA-N 476.555 1.004 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1705568986 XTGHMDPIIBCINP-QGZVFWFLSA-N 479.990 1.662 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705569080 YXGKMEQREYEVSD-HXUWFJFHSA-N 490.630 1.210 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCOC[C@H]2CCCO2)CC1 1705633978 DNZSKXRAKDGAQJ-OAQYLSRUSA-N 487.626 1.690 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCN2CCC)CC1 1705651019 GYRGOSDDUOXZFK-FQEVSTJZSA-N 455.607 1.241 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC(=O)NC)CC1 1705663869 FRCZBMJFANUICO-UHFFFAOYSA-N 460.629 1.989 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1N(C)CCCC1(C)C)C1CC1 1705854750 NNBZHSBOMQNZSN-RTBURBONSA-N 466.652 1.886 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1(C)C 1705885086 HKEAIVYHXQNHDW-IAGOWNOFSA-N 473.665 1.782 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1705931965 GQHVCEIFNQSFKK-UHFFFAOYSA-N 472.571 1.859 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1705935267 LSDDPLVTIDMJLG-QGZVFWFLSA-N 472.619 1.844 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1705940143 WQXPPCXBSOCVAR-UHFFFAOYSA-N 485.614 1.975 30 10 JDEE CN(C)S(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1711019383 AMNRHSWJYFDTDE-FQEVSTJZSA-N 456.572 1.839 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 1722359608 UZEPSMSBHUXXBV-SFHVURJKSA-N 487.582 1.253 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1722364417 ZNVJVNGWSZVTJX-FUHWJXTLSA-N 462.572 1.872 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)c1ccccn1)[C@H]1CCS(=O)(=O)C1 1722369286 XCLPOIDEPSHMJI-DLBZAZTESA-N 456.572 1.229 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1722370874 FOPDSZCOXZCQTQ-FQEVSTJZSA-N 482.610 1.840 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1722371813 LUKCDCOVZGSHSK-SFHVURJKSA-N 489.573 1.418 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2cnnn2C)CC1 1722451150 YLEJONJKHJTXRN-UHFFFAOYSA-N 462.558 1.617 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)C(C)C 1722665162 KVUIYBATVANHHV-TZIWHRDSSA-N 465.606 1.990 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1F 1722681984 VTSXKJZKYKSBJW-IBGZPJMESA-N 467.567 1.746 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1722691161 OSANVXHKWKMWIU-SJLPKXTDSA-N 490.992 1.942 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1722702258 MNWYUQYPUXALON-SFHVURJKSA-N 472.594 1.935 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(NC(C)=O)CC2)cc1 1722702396 JJZHFEPDWJCOCL-INIZCTEOSA-N 476.603 1.606 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1722724482 XSRVIDSPLYFOMR-JKSUJKDBSA-N 465.551 1.825 30 10 JDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CN(CC(C)C)CCO2)CCOC1 1728793892 CPBVRBCRSKJEON-BVYCBKJFSA-N 450.559 1.729 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@]2(C)COCCO2)c1 1740562509 ODOOUULJGTVGNU-RPBOFIJWSA-N 483.569 1.792 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(CCC(C)C)CC1 1740640929 ZNKODXBRMAHOOY-JOCHJYFZSA-N 490.674 1.442 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1740695147 GQNJJULABOVMHS-SFHVURJKSA-N 451.497 1.682 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC(=O)NC(C)C)CC1 1740700780 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C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1760184830 ZIJYRASDJNLZHX-KRWDZBQOSA-N 478.644 1.890 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1760185198 RVZFHZPYEXHARA-JTBPQFFMSA-N 464.569 1.069 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1760191187 CHRXPZYZIUVCMW-OAQYLSRUSA-N 473.647 1.642 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1760192500 JKBBLYSSCGHEHL-IERDGZPVSA-N 450.536 1.784 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1760192908 ZNBJGVTUGBXGDE-HXUWFJFHSA-N 468.583 1.882 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCC(F)F 1760211860 MNUJPBKDBYZVSH-UHFFFAOYSA-N 453.291 1.890 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2OCC[C@H]2C)CC1 1760265573 DWOVNZLZGWLLMV-FPGHNAPASA-N 459.591 1.710 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCNC(=O)C2CCC2)CC1 1760269329 FNCVYAHGXJJAPQ-FQEVSTJZSA-N 456.591 1.792 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCS(=O)(=O)CC=C)CC1 1760271867 PNSYQPGSHJAXEQ-UHFFFAOYSA-N 476.628 1.200 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1760357203 GMTPOTXUPPPSIQ-JKSUJKDBSA-N 465.542 1.846 30 10 JDEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1760493160 VBJYFLGFVXVGKI-JOCHJYFZSA-N 454.556 1.859 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cccc(C(N)=O)c1 1760524042 OBSYHALFZRRZEV-UHFFFAOYSA-N 489.584 1.490 30 10 JDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1CCCO[C@@H](C)C1 1766400531 HUFPMBFKPULYCF-FQEVSTJZSA-N 468.606 1.909 30 10 JDEE CN(CCn1cccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1767376904 AEJUUILAXMMKDL-IBGZPJMESA-N 469.571 1.886 30 10 JDEE N#Cc1ccc(CN2CCN(c3nnc(-c4cccnc4)n3CC(=O)NCC(F)F)CC2)cc1 1771533206 CTXJUJMFAICVAY-UHFFFAOYSA-N 466.496 1.915 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1772516542 LGTLSROWARRNFA-GHVJWSGMSA-N 462.485 1.986 30 10 JDEE 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C=CCn1c(C(=O)N2CCN(c3ccccn3)CC2)cc2c(NCCN3CCOCC3)ncnc21 1875227987 UMVHUXWCSNCLNE-UHFFFAOYSA-N 476.585 1.719 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cnc4sc(C)cn4c3=O)CC2)CC1 1889459017 JSBKMLYQSBXXQJ-UHFFFAOYSA-N 457.600 1.327 30 10 JDEE CCN(CCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)OC(C)(C)C 2255767205 BRELYGPZSLBFFP-UHFFFAOYSA-N 458.390 1.255 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CCO1 2255811440 JHSIJPYVUSBFJJ-CYBMUJFWSA-N 453.370 1.808 30 10 JDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255837564 RGTUGCWWIKHLTR-KGLIPLIRSA-N 453.370 1.806 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCN(C(=O)OCc2ccccc2)C1 2255949197 VTEOWKIYFHNHGY-QGZVFWFLSA-N 490.391 1.409 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1COCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2267465702 QMZAIDYVAVDXDW-CQSZACIVSA-N 488.437 1.962 30 10 JDEE CN(C[C@H](O)CN(C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267880166 QCBAOWKQTFSDCT-CQSZACIVSA-N 450.345 1.076 30 10 JDEE CC(C)(C)OC(=O)N1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@@H]2CS(=O)(=O)C[C@@H]21 2281487462 ILAMHTLOHILZHQ-CVEARBPZSA-N 479.408 1.604 30 10 JDEE Cc1c(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)[C@H](C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281798632 KNNXFWZEUQBGFD-DGCLKSJQSA-N 458.290 1.557 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCOC[C@@H]1NC(=O)OCc1ccccc1 2282006181 UDFKULNTPFGNSH-OALUTQOASA-N 498.389 1.841 30 10 JDEE CCn1cc(C(=O)N2C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282049013 STEKLXFGLMPABZ-CABCVRRESA-N 464.372 1.302 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1CCO 2282187336 HTTDCILJFPEGQO-GOSISDBHSA-N 461.368 1.825 30 10 JDEE CO[C@@H]1CN(C(=O)c2nn(C)c(Cl)c2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2282553563 YSPFZDQLNSRNDW-CHWSQXEVSA-N 484.790 1.737 30 10 JDEE CC[C@]1(NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN(C(=O)OC(C)(C)C)C1 2282860504 BJEGAXRSDPFEOE-FQEVSTJZSA-N 485.416 1.182 30 10 JDEE 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C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1286389105 YGABAMGOQDESSS-MWTRTKDXSA-N 487.582 1.067 30 10 JDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1286401490 RCNCOZMOHRHXGG-AREMUKBSSA-N 476.581 1.352 30 10 JDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(N2CCOCC2)CCSC1 1286415076 HKWOHZWGYADABF-QHCPKHFHSA-N 453.616 1.420 30 10 JDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1n[nH]c(C)n1 1286432595 QGPXCOONYCLWGE-UHFFFAOYSA-N 471.613 1.775 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCCNC(C)=O)CC1 1286491803 BXIQUMGSQKFEQW-UHFFFAOYSA-N 456.522 1.488 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1286700559 OLXMOVRYXWKUKC-RYLXDESZSA-N 469.608 1.350 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCN2C(=O)CC[C@H]2C1 1286781970 GMNONYHTBVKSQF-AWEZNQCLSA-N 489.374 1.829 30 10 JDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN1CCCO)S(C)(=O)=O 1286974923 AYAAYMOORYQLHX-LQWHRVPQSA-N 474.631 1.921 30 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487.630 1.629 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1300779293 UMHHHKKMKHUZQX-HSZRJFAPSA-N 470.599 1.805 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)(C)C)C1 1300991637 WCTPQNXUUOOVBE-ROUUACIJSA-N 471.624 1.455 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cccs2)CC1 1301222973 KLKQEZKAMTUNJZ-LJQANCHMSA-N 480.660 1.961 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1301509548 IXODVLHKBTWVBE-UHFFFAOYSA-N 481.557 1.162 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)O[C@@]3(CCOC3)C2)cc1 1301518612 LJQIXKJLTUAYOE-BSRJHKFKSA-N 491.614 1.886 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1301588635 ICRNHXTXELYKKB-AZUAARDMSA-N 467.636 1.810 30 10 JDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2oc3ccccc3c2Br)CC1 1309228587 NJELUHFKJQIVMZ-UHFFFAOYSA-N 454.346 1.641 30 10 JDEE CO[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)C 1315744859 DFFJXTSXTKMGIV-AZUAARDMSA-N 456.547 1.741 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(OC)c(O)c1)[C@H]1CCS(=O)(=O)C1 1358957132 QFBJGOVQWFCUAC-FDDCHVKYSA-N 490.582 1.319 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1358957219 RGONRNZNDWEKOX-CVDCTZTESA-N 474.583 1.614 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1358958327 LPYMYQMYZDFNKV-HXUWFJFHSA-N 481.578 1.810 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC[C@H](C(F)F)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358958661 TWKYNFUDTFFRLN-ZWKOTPCHSA-N 497.568 1.829 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1358959697 NYTOVXJJRVOGIN-MRXNPFEDSA-N 455.544 1.250 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1358967429 KFWWBCTVMAIXOL-CUWPLCDZSA-N 492.573 1.674 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1C[C@@]1(O)CCS(=O)(=O)C1 1358990223 GKKBCXQPWFPOFP-FQEVSTJZSA-N 477.384 1.720 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2Br)CC1 1359029346 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C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](C)C1 1539601283 YOYRQUDJHARMKT-MCIONIFRSA-N 464.386 1.133 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1539721856 IKRFUUYDPOFBDK-UHFFFAOYSA-N 459.595 1.835 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1539751909 XEPSUMPPFTUIRQ-MSOLQXFVSA-N 454.593 1.547 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1539965816 BJDLYYAUQOBEAH-SIKLNZKXSA-N 493.634 1.453 30 10 JDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1539974289 ODEHKVLQFRRMAI-FQEVSTJZSA-N 457.623 1.890 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCCN(c2nc(CC)ns2)CC1 1540867848 JZMIJBIFMFIEKO-UHFFFAOYSA-N 455.592 1.716 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1540872688 XMGGYMCMMAWJJL-UHFFFAOYSA-N 459.982 1.083 30 10 JDEE CN(C[C@@H]1CCCOC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1554231020 GUMNXAOHKZDNKX-OALUTQOASA-N 458.588 1.961 30 10 JDEE 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C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1722459555 MUNCOYNUNQTKLY-QGZVFWFLSA-N 480.616 1.179 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1722483095 FSKPXVDRRFSRJL-GJZGRUSLSA-N 468.400 1.175 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCNC2=O)CC1 1722491613 LZTMDZILKUYWNZ-LNLFQRSKSA-N 495.650 1.254 30 10 JDEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722683654 VCZBSMMUZALAKP-KRWDZBQOSA-N 457.531 1.985 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1722729767 WUAWIFRMYLPCFN-PMACEKPBSA-N 464.563 1.993 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCCC1 1740550759 JPYXCGQWHRYNQW-ROUUACIJSA-N 453.609 1.666 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1740619714 QWSFPIRSJHIVNB-AUMHUTNHSA-N 480.612 1.358 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1740622104 ULANSDZKXWWIAK-OALUTQOASA-N 457.604 1.482 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C1CC1 1740677617 XZKDOYJKVUIZIQ-NHCUHLMSSA-N 491.589 1.815 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nccs2)C1 1740794653 FTWGDDIMARAHSE-HZPDHXFCSA-N 453.590 1.807 30 10 JDEE C=C1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCS(=O)(=O)NC)CC1 1740823798 OJZGKTGJHXBNBP-UHFFFAOYSA-N 471.587 1.771 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1OC)C[C@H]1CCCO1 1740946594 CGMHJSPBQBTMBP-TZIWHRDSSA-N 491.614 1.991 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740966001 UZGYXZWHABLNGZ-HSZRJFAPSA-N 477.610 1.251 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(CC(=O)N(C)C)CC1 1740992178 CGBMUFFSHIELTG-UHFFFAOYSA-N 499.641 1.812 30 10 JDEE CCS(=O)(=O)NCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@](C)(C#N)C1 1747444045 GPAHHGDMZIVBDR-QFIPXVFZSA-N 487.634 1.521 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 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1749730591 JWPDZOBWMNBLOB-UHFFFAOYSA-N 499.641 1.713 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cc2)CC1 1749734402 IRZWMLYPPZFNLP-QGZVFWFLSA-N 497.618 1.247 30 10 JDEE Cc1cccc2c(CCn3c([C@H](C)NS(C)(=O)=O)nnc3N3CCO[C@@H](C#N)C3)c[nH]c12 1751654564 AFTLORAJSZYRDY-RDJZCZTQSA-N 457.560 1.650 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1760187904 YRXXDDMRUWIHBT-QGZVFWFLSA-N 460.560 1.843 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCC1 1760241683 HBMADVKLXSQRNL-IBGZPJMESA-N 477.562 1.305 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CC2([S@@](C)=O)CC2)CC1 1760273500 WPXJNOGWSIURKW-UUWRZZSWSA-N 485.610 1.743 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCCC1 1760294863 INAMOSRZTHTOQM-GHTZIAJQSA-N 464.636 1.478 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2F)CC1 1760306495 HWKTXSMAHBKOMT-AWEZNQCLSA-N 485.383 1.950 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@@H](C(N)=O)C1 1760515116 LBCXYWSUYPUSHY-MRXNPFEDSA-N 451.556 1.991 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC)C(=O)C1 1760532367 TYDQCWIMPJVNRU-KRWDZBQOSA-N 476.603 1.560 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[C@@H](F)C1 1760551057 RYBAWISTVLAWJN-PBHICJAKSA-N 456.565 1.744 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@@H](C(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1760558663 WTYQJQNGXKLMBL-HDMKZQKVSA-N 482.525 1.687 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1760566258 PNZNFQNBSNYDDR-HXUWFJFHSA-N 489.667 1.991 30 10 JDEE CC(C)Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1761041258 GKAZOOQFZYBVPU-SIKLNZKXSA-N 459.572 1.476 30 10 JDEE CCOC1CC(O)(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)C1 1766153073 HRFFIQRUZAQPQF-BATSVXPKSA-N 461.544 1.007 30 10 JDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H]2OC)CC1 1770681172 DSDDZNVUJWFLMF-CTNGQTDRSA-N 468.558 1.839 30 10 JDEE C=CCN(CC=C)C(=O)[C@@H](CCC)NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 1868595030 FIHHYYSZQZIVCL-OAQYLSRUSA-N 462.616 1.722 30 10 JDEE CC[C@H](C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(S(N)(=O)=O)cc1 1869934510 KAGRENNALHNZDX-YVEFUNNKSA-N 450.542 1.426 30 10 JDEE C=CCn1cc(OCC(=O)Nc2cc(OC)ccc2OC)c(=O)cc1CN1CCN(C(C)=O)CC1 1870736499 FBKXWTPSGTUHOO-UHFFFAOYSA-N 484.553 1.733 30 10 JDEE C=CCn1c(C(=O)NCCOCCO)cc2c(N3CCN(Cc4ccccc4)CC3)ncnc21 1873594936 IVMBWARPCHPJMS-UHFFFAOYSA-N 464.570 1.678 30 10 JDEE C=CCn1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc2c(NCCO)ncnc21 1875231551 SLMSPLJLUOMMSF-UHFFFAOYSA-N 451.487 1.892 30 10 JDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N(C)C2CN(c3nccnc3C#N)C2)cc1 1892050531 BHTBPPPNDRSGLC-NRFANRHFSA-N 497.581 1.197 30 10 JDEE C=C(Br)CS(=O)(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2054371226 IYWIFXNJASNLLV-LBPRGKRZSA-N 461.400 1.239 30 10 JDEE C=CCNC(=O)NC(=O)C[S@](=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2074705211 PHTJBCQVRKDSET-NFVVUBBGSA-N 499.545 1.739 30 10 JDEE CC(C)(C)OC(=O)N[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(F)(F)F 2248400720 AHQXDXRYGFONDP-MRVPVSSYSA-N 452.264 1.653 30 10 JDEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256639854 QJACTYVVIUSQHD-BXHXUVEDSA-N 456.349 1.841 30 10 JDEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C 2267158934 GAVSJMPVSWLPOD-AWEZNQCLSA-N 450.341 1.610 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(F)(F)F 2267182452 GUIMBKHYEKNDOF-LBPRGKRZSA-N 462.278 1.905 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)n1 2267467557 DPWCGQTVQGJMCH-KBPBESRZSA-N 470.401 1.158 30 10 JDEE Cc1cc(C(=O)NC(CO)(CO)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267531905 XDVMDLDJEGQDGW-UHFFFAOYSA-N 470.397 1.334 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N(Cc2ccccc2)C2(CO)CCC2)n1 2267709904 KAKQQOYQROLHPS-UHFFFAOYSA-N 461.393 1.825 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2268710021 GHDBVVIDDPFNPH-OAHLLOKOSA-N 451.304 1.639 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2282004847 MCNYFYXVVWSBDQ-HOTGVXAUSA-N 460.384 1.870 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CO)C1 2282174112 DIAPDWLHEQDZFJ-NVXWUHKLSA-N 463.384 1.672 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCC1 2282176842 WLZNOXDVLNFKOM-OAHLLOKOSA-N 463.388 1.928 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CCCN(C(=O)OC(C)(C)C)C[C@@H]1C2 2282180551 UZHXGIOIFDQTDS-FPTDNZKUSA-N 461.372 1.634 30 10 JDEE COCC1(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CN(C(=O)OC(C)(C)C)C1 2282352066 JSBJRDUHZPVERW-UHFFFAOYSA-N 482.408 1.900 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282535323 MVRPAMVRSJLOJE-HNNXBMFYSA-N 465.331 1.886 30 10 JDEE Cc1c(C(=O)N2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282555032 MVLFPUXKZZLLRE-HUUCEWRRSA-N 464.372 1.128 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23CCCN(C(=O)OC(C)(C)C)C[C@@H]2C3)n1 2282610967 FDKVEXOOOKVIJZ-FPTDNZKUSA-N 461.372 1.634 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2282843295 LDQPQADEBGRBNM-GJZGRUSLSA-N 482.412 1.492 30 10 JDEE C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282855313 CCKARHQIGHVPCX-MJGOQNOKSA-N 474.436 1.908 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2282981889 ALGVSZQDQLIJBF-KDOFPFPSSA-N 462.352 1.649 30 10 JDEE C[C@@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@@H]1NC(=O)C(F)(F)F 2283055942 KKBBWWXCOJPUTA-JHJVBQTASA-N 456.274 1.693 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1CO 2283070216 VBEINFFOFDUGKQ-GJZGRUSLSA-N 462.356 1.124 30 10 JDEE CC(C)(C)OC(=O)N1CC(C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)(S(C)(=O)=O)C1 2326720549 JPUDELNHKWPVSD-UHFFFAOYSA-N 458.386 1.762 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2COC[C@H]21 2362357400 NNQNLQMWPQXQMA-HUUCEWRRSA-N 462.356 1.180 30 10 JDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCCC(=O)NCc2ccc3c(c2)OCO3)n[nH]1 59888200 PFBDILKXWWRSCF-FOKLQQMPSA-N 486.558 1.584 30 10 JDEE Cc1ccc(NC(=O)CSc2nnc(N/N=C/c3c(C)nn(CCO)c3C)n2N)c(C)c1 59914402 SUFNBTLCUNHFJI-LSHDLFTRSA-N 457.564 1.591 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)CC1 512713541 CRMGCTRMVQTNPL-QGZVFWFLSA-N 464.513 1.587 30 10 JDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(OC)cc1 916193497 CXELQCMGJVBYNX-UHFFFAOYSA-N 463.559 1.953 30 10 JDEE C#CCN(C(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O)[C@@H]1CCS(=O)(=O)C1 918756260 NLTDKTWCMJSSDZ-CQSZACIVSA-N 467.341 1.474 30 10 JDEE C=CCN1CC[C@@H](N(C)C(=O)c2ccc(I)cc2-n2cnnn2)C1=O 1139239094 GSHYPOYUXQWTRD-CYBMUJFWSA-N 452.256 1.126 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@@H]2CC(=O)N(CCOC)C2)c1 1286310527 VXTIVCOTWGIZDK-HXUWFJFHSA-N 487.564 1.891 30 10 JDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1286311952 OVQDEDCLWNBPPH-UHFFFAOYSA-N 477.613 1.931 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1c(F)cc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1286379717 BGBGEEAKOJJIIP-GFCCVEGCSA-N 487.479 1.648 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1286391918 JTSIJHVJRWQEAK-XPQZIERPSA-N 479.628 1.191 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ccc(C(N)=O)nc1 1286404690 TZCJWADTGXHMIR-UHFFFAOYSA-N 460.494 1.586 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)N1CCOCC1 1286426122 KUBYBNFKDUKPLR-UHFFFAOYSA-N 459.510 1.306 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1286484198 JVVLTDVTMOSOMH-GOSISDBHSA-N 459.572 1.056 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1286485714 VPXRFVBUGWIOSU-RBUKOAKNSA-N 456.591 1.685 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(COC)CC1 1286607248 DOQRNUGRMZEFSE-GOSISDBHSA-N 471.624 1.457 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1286630486 STBZDAQBQBXMAL-KRWDZBQOSA-N 484.966 1.951 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(CCCCO)C2CC2)CC1 1286891104 UJVQAJHQPAVVNT-UHFFFAOYSA-N 451.575 1.722 30 10 JDEE CC1(C)CN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CCO1 1289042870 GJHRCSHIFNDFPY-HXUWFJFHSA-N 472.615 1.941 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1300364477 KOLZEKZLJKHWDC-ICSRJNTNSA-N 497.687 1.815 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OCC(F)(F)F)cc2)CC1 1300697367 BLBKDTMEULGODV-GOSISDBHSA-N 462.476 1.974 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1300743690 XXINGRQFSSVAMK-QGZVFWFLSA-N 474.612 1.271 30 10 JDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1300766171 VWPPPCGELCPWQS-UHFFFAOYSA-N 498.653 1.225 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1301506724 PVNARRXYENOTHH-LJQANCHMSA-N 471.569 1.856 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOC[C@@H]1C 1301967705 FUSCWFKODJTJST-MOPGFXCFSA-N 453.595 1.769 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C2CC2)cs1 1358994670 TUBBOWOSGZCDDP-GOSISDBHSA-N 474.612 1.456 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1359033802 QOXZCRBMVWOICC-UHFFFAOYSA-N 468.583 1.521 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1359043063 FRZHHHMTSBZKIB-SFHVURJKSA-N 485.610 1.744 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCOC[C@H]2CCCO2)CC1 1359043963 PEMIIIQYWZHTLL-HXUWFJFHSA-N 455.563 1.230 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359051065 LETIGXDTZHGSGY-SFHVURJKSA-N 482.653 1.728 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](OCC)C1 1359299130 WCXDKCYYEIZBHM-INIZCTEOSA-N 461.592 1.546 30 10 JDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@H](CNC(=O)OC(C)(C)C)C1CC1 1467312497 ANIDUAUVCJDZFM-RDTXWAMCSA-N 450.561 1.987 30 10 JDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCOC[C@H]1OC 1499328139 CPAWXKPNAPNYDO-MISYRCLQSA-N 454.531 1.495 30 10 JDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1503259120 GEAPGJSBQGUPRW-QGZVFWFLSA-N 460.560 1.126 30 10 JDEE CN(CCC1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1503585757 ALKAJOHBRUZQLN-QFIPXVFZSA-N 459.572 1.619 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCC1(F)CCC1)[C@H]1CCS(=O)(=O)C1 1507627828 UDGZPQZXOMHSIP-UWJYYQICSA-N 454.568 1.839 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507637198 INEHRNTUJUJEOD-GUDVDZBRSA-N 493.674 1.986 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1CCN(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1507637469 BBCULOKCHKWAMY-FQEVSTJZSA-N 476.647 1.149 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cn(C2COC2)nn1 1507650749 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1508073036 GRMLWLKMEVHFCV-QGZVFWFLSA-N 459.982 1.844 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2C[C@H](C)O[C@H](C)C2)CC1 1508274920 HTMJVTDGCNLIML-OYRHEFFESA-N 494.644 1.526 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1509945239 BYOXYDADAPLPGI-GJZGRUSLSA-N 465.605 1.289 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@]2(O)CCO[C@H]2C)c1 1539040143 NLJQPKKAWPLLQO-MUEKUWCCSA-N 483.569 1.526 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1539205338 GRTYREJYQWWINN-CQSZACIVSA-N 456.366 1.319 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCc2c[nH]nc2C)CC1 1539489068 GCWGMXUEQOVXQT-SFTDATJTSA-N 469.590 1.632 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)c1ccccc1F 1539669220 MULHLBVNBHCCEV-LJQANCHMSA-N 494.593 1.583 30 10 JDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1539900846 VJMWIQBYIOEDCO-OTWHNJEPSA-N 453.609 1.829 30 10 JDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1540033868 RXBKBOZXUVQEBC-IAGOWNOFSA-N 456.551 1.220 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)OCCc2sccc21 1540071632 GVUTXTSDWHLLHA-JXFKEZNVSA-N 467.617 1.783 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2nncn2CC)C1 1540885843 PZMGEGSJLMZMHV-QGZVFWFLSA-N 457.560 1.790 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(F)ccc2OC)C1 1540893238 ZDCQTXCWAIDATM-QUCCMNQESA-N 495.577 1.588 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1540908790 NVTDKBLTOAUPBU-HNNXBMFYSA-N 467.979 1.813 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCN(c4sccc4C(=O)OC)C3=O)cc2C1=O 1543631932 IDTZKDLMTZZXTH-INIZCTEOSA-N 453.476 1.852 30 10 JDEE C=CC[C@@H](CO)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1546310865 SPBJLKNTUUZBJG-MRXNPFEDSA-N 457.980 1.254 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1Cl 1587638653 GLWIEILJLDRODK-MAUKXSAKSA-N 451.980 1.965 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1587822902 FOXZNAIWLRTKHZ-GOSISDBHSA-N 460.581 1.389 30 10 JDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1CC2(CCOCC2)C1)[C@H]1CCS(=O)(=O)C1 1588035342 SGNHTUTZEJLJAQ-QUCCMNQESA-N 480.631 1.836 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1588055196 SVONRUPTHFBVGU-AZUAARDMSA-N 471.583 1.497 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1588069438 OAYRXZBCNZWUKH-HYBUGGRVSA-N 487.626 1.167 30 10 JDEE C#CCN(c1nnc(COCC)n1CCN1c2ccccc2C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588075084 XDTOPXWKFBEKME-UYAOXDASSA-N 457.600 1.893 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(Cc2ccccc2)c1 1588083374 GDPRWKNQPFERCN-GOSISDBHSA-N 451.556 1.254 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCCn1cc(CO)nn1 1588094328 ZRVIRYYUNIVJJE-UHFFFAOYSA-N 457.336 1.293 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)CC1 1588733428 SFDCKNJBPRKGOV-UHFFFAOYSA-N 469.565 1.196 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC2CCOCC2)CC1 1588890998 KOKUICCZVCIBHE-XMMPIXPASA-N 459.591 1.713 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C2CC2)N(C)C)CC1 1588891417 PGWYVHBEQWPZKL-GBXCKJPGSA-N 458.607 1.236 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1589047725 GZYWWPIGEIHUGG-IBGZPJMESA-N 470.647 1.568 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1589110402 UVBWNSLJCWYVBH-FQEVSTJZSA-N 479.653 1.651 30 10 JDEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CC)C1)c1ccccc1 1593788836 DHDMGESVLMHCKQ-VQTJNVASSA-N 461.588 1.940 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1594813341 QYOYKUBRRGCGST-SFHVURJKSA-N 479.628 1.797 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1595537706 WQZZGBKGEYELRK-CQSZACIVSA-N 466.468 1.588 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1595577418 RSUBJZDWOVCQRT-LJQANCHMSA-N 467.574 1.816 30 10 JDEE CC(=O)N1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1596158218 QEEMOIQPBAKJEY-DLTPIXJPSA-N 497.531 1.752 30 10 JDEE Cc1cccnc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1612319538 HWDXWZIYABHACI-NRFANRHFSA-N 481.582 1.871 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCS(=O)(=O)C2)c1 1617705774 GLSUMJMNIMBMNM-QGZVFWFLSA-N 492.627 1.370 30 10 JDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)C[C@H](C)O1 1619736489 COSPWCRXHRQDDL-LPHOPBHVSA-N 462.576 1.385 30 10 JDEE C[C@H](CC(=O)NC1CN(C(=O)OCc2ccccc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1629737834 AVWWTBRKBGYLAY-OAHLLOKOSA-N 456.524 1.641 30 10 JDEE C#CCn1cc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cn1 1664952789 LWERLBJLBQOSGY-IAGOWNOFSA-N 450.586 1.661 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 1689872004 LJPMKYKKRSZQHE-IBGZPJMESA-N 472.615 1.814 30 10 JDEE C#CCCCCn1c(N2CCN(c3nccc(OC)n3)CC2)nnc1[C@]1(OCC)CCOC1 1689906657 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C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1c(C)cccc1C 1705583360 WRHNUHYHBZLDKV-FQEVSTJZSA-N 471.583 1.380 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-n1nc(C)cc1C 1705613180 WZUCRIZRGGKGPL-QFIPXVFZSA-N 497.625 1.921 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@H]2CC(F)(F)CO2)n1 1705631336 AWAOILWYZHZYSQ-SJLPKXTDSA-N 450.490 1.689 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](OC)C2CC2)CC1 1705634143 LDEKTWFXONMMRA-OAQYLSRUSA-N 472.615 1.376 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[C@](C)(O)c2ccccc2)CC1 1705635412 YHNOQIFZVWTHFE-LOSJGSFVSA-N 453.587 1.983 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCO[C@H]2CCOC2)CC1 1705650379 QNBJQIXEPZLOJC-NRFANRHFSA-N 452.559 1.425 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[C@](C)(N2CCOCC2)C1 1705690164 MSGNDWSYKZVKQM-IBGZPJMESA-N 453.385 1.610 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nc(CCOC)no1 1705693726 JXWSEFYXNJCNPB-LPHOPBHVSA-N 459.551 1.704 30 10 JDEE 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453.572 1.257 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1722371750 LGLGFUKRUBWNFO-INIZCTEOSA-N 462.601 1.149 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2cccc(F)c2)CC1 1722447607 NDDHHYGZRSGMKB-HXUWFJFHSA-N 487.601 1.918 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1722448663 FVFHDUYXBYDCGM-GOSISDBHSA-N 473.574 1.409 30 10 JDEE C=C(Br)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](C(N)=O)C1 1722481482 AEFHVGCOJRYMON-CYBMUJFWSA-N 482.408 1.849 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722494685 ROLSVVZCVSXNLW-ICSRJNTNSA-N 482.589 1.218 30 10 JDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1722542536 COUYUNDWFKTTJA-MRXNPFEDSA-N 476.047 1.021 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(CC)C1 1722629357 KDHKHJMPVLGKRL-XLIONFOSSA-N 457.597 1.209 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(=O)NCC)CC1 1722693240 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CC[C@@H]1C[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1694818437 HZJIULFDVKDWCD-CDMIOBSGSA-N 459.572 1.903 30 10 JDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1695435209 GUYQYDCQGUCNSK-LJQANCHMSA-N 451.531 1.171 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC(F)F)OCO2 1705551620 POKGDBWRYWLGGD-GFCCVEGCSA-N 454.455 1.628 30 10 JDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1705566424 ODWALXIOJXUPKN-HXUWFJFHSA-N 495.609 1.530 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1705567783 ZMIUTRKKTMTLIX-MOPGFXCFSA-N 463.604 1.201 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1705635143 RZVIQMVVMXEXPX-JOCHJYFZSA-N 497.587 1.905 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(C)on2)CC1 1705697777 NRNUPOQLKJWQJJ-GGPKGHCWSA-N 493.634 1.488 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1705818999 AQFIARPFDUNYAB-RDJZCZTQSA-N 467.617 1.991 30 10 JDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705828097 BNWXHBFKZWPLDQ-UHFFFAOYSA-N 455.563 1.147 30 10 JDEE C=CCCOCCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705831958 JABJRYKXEWOKIW-LJQANCHMSA-N 468.558 1.214 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1705900411 BYGAVARUHKPYQQ-MRXNPFEDSA-N 462.514 1.267 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1705900578 ISQVDHJDOLZCQG-QGZVFWFLSA-N 461.592 1.059 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(c2cnn(CC)c2)CC1 1705927739 FFEZRGIDOPRPEK-UHFFFAOYSA-N 463.608 1.618 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC)[C@H](C)C1 1705937961 JXANFBNFSHSPQL-GOSISDBHSA-N 458.588 1.860 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705940256 ZDLWOJWFRXACOB-SFHVURJKSA-N 461.636 1.176 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@@](=O)C(C)(C)C)CCO1 1706047566 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C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(CC)c2)CC1 1722450315 CYICZRGUHLXZJD-UHFFFAOYSA-N 472.553 1.959 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1722455650 UTABHVUVQKJKKD-UHFFFAOYSA-N 485.639 1.775 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCN2CCOCC2)CC1 1722583726 UXWCEKAGJVWVSC-HXUWFJFHSA-N 482.651 1.126 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N(C)C[C@H]1C)C(C)C 1722662924 PSEDVFUAILRVKG-UXHICEINSA-N 457.623 1.880 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1722692178 GWSJGTPKDPNRHV-UHFFFAOYSA-N 485.564 1.390 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1722692837 YJJJYXQPHHWSCA-MWOWJKGTSA-N 458.588 1.751 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccccc2F)C1 1722726821 FTMFFGGRPCFPAE-IBGZPJMESA-N 460.535 1.996 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722727610 NCFWOLMLCYAKPZ-HXUWFJFHSA-N 465.601 1.264 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(O)cc2)CC1 1722730378 QEWYTLBWHFZHLU-UHFFFAOYSA-N 474.587 1.034 30 10 JDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740617698 VOKLCPHOHILBQL-RTWAWAEBSA-N 485.610 1.306 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1740620277 DBEBGQWRNAUPDE-GOSISDBHSA-N 456.572 1.273 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1740625027 CLWOWWUTWFPUMK-IAGOWNOFSA-N 468.626 1.111 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1740626390 UJKJFAUIOQSKPP-IBGZPJMESA-N 454.556 1.470 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1740627267 FVTYWRSFEOKRKC-OALUTQOASA-N 455.540 1.392 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1Cl)N(C)C 1740629820 BDLFCSXCPTZFTM-LPHOPBHVSA-N 463.007 1.917 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1740668339 KOFHGDPZDSVYHU-XSLAGTTESA-N 458.563 1.713 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1740684392 PSYNMEQDDFLIHF-FGZHOGPDSA-N 466.586 1.697 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1740705062 BOVICYDGXDWUHH-GGPKGHCWSA-N 485.633 1.083 30 10 JDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740721163 YUGYTPSUSYEURW-INIZCTEOSA-N 459.601 1.473 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1740743688 BJKMZLUJWMVZBB-HZPDHXFCSA-N 454.369 1.908 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1740750125 MATSMNDLMRYPGB-MJGOQNOKSA-N 480.635 1.403 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@]1(OCC)CCOC1 1740765556 AFAPYZBPOUDTGV-LEDOBFOHSA-N 463.579 1.206 30 10 JDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1740782104 CDMQTTBDJJLWLK-SFHVURJKSA-N 464.636 1.327 30 10 JDEE C=CC1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCS(=O)(=O)NC)CC1 1740841553 PSXYHWJFWBAFIL-UHFFFAOYSA-N 487.674 1.594 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC([C@@](C)(O)C(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1740965519 QEZINTAEAIDMFZ-WOJBJXKFSA-N 475.512 1.762 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740992621 RXDFXIODAVNVRQ-KRWDZBQOSA-N 489.664 1.023 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1c(C)nc2ccccc21 1748670859 DDSGJQIOIUMICC-DYESRHJHSA-N 485.614 1.817 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCN1CCCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1748802648 QSDPJZUIADTTGE-MOPGFXCFSA-N 464.636 1.308 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1748819730 SJFMWYPADOZDRN-FQEVSTJZSA-N 471.627 1.989 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)F 1748944882 IHZCGDMCWLOMQL-HNNXBMFYSA-N 469.489 1.340 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2(OCCOC)CCOCC2)CC1 1749018653 CCHPOPYTLIICLQ-HXUWFJFHSA-N 475.590 1.308 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1749268827 HRRNIASDUOPDQO-KGLIPLIRSA-N 486.948 1.436 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1749575842 XWJGYVLKTLDPAK-IAGOWNOFSA-N 492.568 1.674 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1749734795 NAWJNYULSAMJOZ-QGZVFWFLSA-N 473.665 1.472 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1752394789 CCHPDQKVFKJACN-ZACQAIPSSA-N 453.613 1.128 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CCOC2)c1 1760127832 NNOAOOHPTCQHAR-XZOYJPPVSA-N 469.542 1.210 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1760188476 ALYBWKPRYQWRDW-JWRCQZCYSA-N 452.577 1.403 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc2C1 1760194560 LPHZKRIKTPSWKZ-IBGZPJMESA-N 454.600 1.410 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)NC(=O)OC(C)(C)C 1760234053 SGXZVXDGSVHWKV-MRXNPFEDSA-N 484.623 1.374 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1760260251 YCNISTRJVZCWMM-QHAWAJNXSA-N 488.633 1.688 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(OC)c(OC)c2OC)CC1 1760260345 PJZJIKLIJZMIIC-UHFFFAOYSA-N 463.542 1.759 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1760268216 NVSKORJOSPFRFJ-JOCHJYFZSA-N 492.001 1.114 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2F)CC1 1760274642 LUQUZVFOPARHTO-HNNXBMFYSA-N 467.596 1.115 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1760284752 RBPVWRCWPVSBLO-PZJWPPBQSA-N 487.674 1.146 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1760314339 VIDLDNLEWPQCEC-QYZOEREBSA-N 460.579 1.225 30 10 JDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1760456844 YPGXEXMICUTHEH-DLBZAZTESA-N 452.581 1.485 30 10 JDEE 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452.515 1.415 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1508144431 DLACFJMQCNQUPG-KKSFZXQISA-N 498.602 1.018 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](N2CCCC2)C1 1508146693 AYJHDFXETFVTMI-ZCNNSNEGSA-N 467.636 1.668 30 10 JDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1508154933 FXIQEAIQEUVLTD-QGZVFWFLSA-N 451.622 1.602 30 10 JDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCOCC1 1510108683 BGULTJYAWJUEDR-KRWDZBQOSA-N 460.604 1.797 30 10 JDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1539148437 KWBBYXUMNJXBRR-CRAIPNDOSA-N 460.560 1.124 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1539211648 JSZOBJVKVRHXCG-GOSISDBHSA-N 467.580 1.846 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1539212770 XWVVAQBTSYOZTQ-GOSISDBHSA-N 457.556 1.723 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539216427 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499.684 1.767 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588049134 AQQZLPAEYKJNMB-SIKLNZKXSA-N 454.556 1.213 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1588059523 PGUNHXCIAJQFME-OAHLLOKOSA-N 475.525 1.443 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCOCC1 1588473504 NZBOIELIFPZTME-GOSISDBHSA-N 492.621 1.778 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1588741601 FTNQMMMLYUYYTH-HYBUGGRVSA-N 487.626 1.340 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2N(C)C)C1 1589494429 LCSTZJBUXMEKOZ-POAQFYNOSA-N 489.646 1.893 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CC(=O)N1CCOCC1 1589578135 GKJORAJLWQRHNM-MMKMLUHNSA-N 463.579 1.278 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C(N)=O)c1 1594497302 FEGSNIBDRPCVGT-LJQANCHMSA-N 490.630 1.949 30 10 JDEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1595387187 USIJGGSBFKEOFX-UHFFFAOYSA-N 471.587 1.769 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(=O)NC(C)C)CC1 1595507051 VGGQWLOBPOEZSE-UHFFFAOYSA-N 477.972 1.686 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)c1ccccc1 1611307613 DNNUVELFTVOYAQ-IAGOWNOFSA-N 465.601 1.783 30 10 JDEE N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(O)CCSC2)CCO1 1620354473 GCJWBRVWPUSZNE-OXJNMPFZSA-N 462.963 1.458 30 10 JDEE COc1cc2c(cc1S(=O)(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)OCC(=O)N2 1622018925 IESZTLWRRQOTDD-HNNXBMFYSA-N 456.480 1.372 30 10 JDEE COC(=O)C[C@@](C)(NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(OC)c1 1636943749 DCOWZBOTAPEHGX-JOCHJYFZSA-N 459.524 1.719 30 10 JDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCN(C(=O)c4ccc(F)cc4)CC3)CC2)o1 1657261164 AUNVZEUTBYTRGU-UHFFFAOYSA-N 454.506 1.491 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCOC[C@@H]2[C@@H]2CC[C@@H](COC)O2)cc1 1665969033 IYUIYJVELXCHDP-SXLOBPIMSA-N 453.561 1.920 30 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1.581 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNC(=O)c2cccs2)CC1 1690396524 FIQGSVODAINAMM-AWEZNQCLSA-N 452.606 1.782 30 10 JDEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1690488128 LKJWHPOOKUWVEV-UHFFFAOYSA-N 473.603 1.107 30 10 JDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCCS1(=O)=O 1690523187 VSTUDUOAZVVBAQ-HNNXBMFYSA-N 452.606 1.828 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1690696995 MVYZKXUXAYIUQH-OWCLPIDISA-N 458.485 1.274 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3nnc(O)c4ccccc34)nnc2N(C)C[C@H](C)C#N)CC1 1690867693 CTFBEFNBYOHSTB-MRXNPFEDSA-N 463.546 1.354 30 10 JDEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)C1 1692852787 HDENIFVWMBCHAU-DVECYGJZSA-N 467.574 1.277 30 10 JDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1696583600 BUWOTBVCNKTPPZ-UHFFFAOYSA-N 450.547 1.679 30 10 JDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1nccn1C(F)F 1696824605 GRLAPVXXQUDYCJ-UHFFFAOYSA-N 450.475 1.442 30 10 JDEE N#Cc1ccc(CN2CCN(c3nnc([C@@H]4CCOC4)n3CC(=O)NCC(F)(F)F)CC2)cc1 1698487867 DBGGUCUUVPTXII-GOSISDBHSA-N 477.491 1.654 30 10 JDEE N#C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(O)CCOCC2)CCO1 1698490698 GCMNTZAZSMNIRK-QGZVFWFLSA-N 460.922 1.132 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@@]2(O)CCN(C)C2)c1 1705503876 HLEPCOZXLMWBCE-JWQCQUIFSA-N 482.585 1.053 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1705566011 LHVVNGFPNBVZNY-NMLBUPMWSA-N 498.671 1.258 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCOCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705566639 PCMMLZDQCSNSDY-SFTDATJTSA-N 480.631 1.980 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)c1ccco1 1705591741 WLLTYGOUHYSTFW-UHFFFAOYSA-N 465.535 1.835 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1705635386 XVNMRLJMRDDBSU-LWVPEANGSA-N 493.543 1.839 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1705646178 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HWZJQSZGQVKCTK-UHFFFAOYSA-N 492.605 1.921 30 10 JDEE C=C(Br)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS(=O)(=O)CC1 1722484171 HECGDRBZMYYXJH-UHFFFAOYSA-N 455.334 1.860 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)NCCOC)CC1 1722492691 GWXSTSRSRHCOHC-SIKLNZKXSA-N 472.590 1.712 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1722692449 MGMLVHNICIMFAN-KRWDZBQOSA-N 477.610 1.992 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1740567006 MIQCQOZQXNFPQW-QGZVFWFLSA-N 474.587 1.360 30 10 JDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCN(CC)CC1 1740602602 XGCPJYQUBVWBDX-UHFFFAOYSA-N 472.663 1.644 30 10 JDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(N2CCOCC2)CCSC1 1740612546 CORFIGZFYOCKHB-OAQYLSRUSA-N 460.629 1.547 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1740624318 HXYHJJLUFJZYCA-WOJBJXKFSA-N 458.584 1.953 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(OC)CCOC2)CC1 1740696481 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1748790246 GXKAFQMHGHOJPS-SJORKVTESA-N 484.623 1.230 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1748801798 GWKDBGOCWFOYHB-FUHWJXTLSA-N 451.593 1.250 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1cc(C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1748817262 HQORDCOZNCPIEX-VQTJNVASSA-N 458.584 1.968 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(C(=O)N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 1748818186 XAYLICIVSPGUBY-VXKWHMMOSA-N 499.637 1.939 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(c2ccncc2)CC1 1748929971 UUYZPLBVANGYRY-OAQYLSRUSA-N 487.630 1.382 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)CN2CCCCC2)CC1 1749001351 QJHMBRCMVQJHPP-LJQANCHMSA-N 457.623 1.504 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@]2(O)CCN(C)C2)CC1 1749004382 HSGRUORJEFHMJT-IQGLISFBSA-N 484.576 1.590 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1749008925 DFZNVVFZDNEMQA-QZTJIDSGSA-N 487.605 1.498 30 10 JDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1749234365 FFBOVDSIUGCINZ-NRFANRHFSA-N 487.649 1.516 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nnc(CC)s2)CC1 1749302902 APNWWRAOVYDMIT-CQSZACIVSA-N 453.594 1.230 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2cccc(Cl)c2n1C 1749487574 FBJXLIWINGCOJF-INIZCTEOSA-N 479.994 1.822 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](C(N)=O)C1 1749726144 YBPQMRVZYYGORK-HZPDHXFCSA-N 465.551 1.860 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1749734779 MQUQGOMGNGNTST-KURKYZTESA-N 489.664 1.227 30 10 JDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)CC1=O 1749873269 DXBASBIYUHJGJK-UHFFFAOYSA-N 451.531 1.157 30 10 JDEE CS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC2)CC1 1750212899 IAYRUGXUNKTORR-UHFFFAOYSA-N 473.603 1.343 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccnc(OC2CCOCC2)c1 1751215879 BGOKJUNIPUKJEB-BTYIYWSLSA-N 493.565 1.331 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CCNS(C)(=O)=O)c1 1760127931 QWRYQNZNILHFPV-UHFFFAOYSA-N 458.588 1.616 30 10 JDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760152438 MDMSKMOQUUCHAK-UHFFFAOYSA-N 469.571 1.868 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1760181758 BDAQMJUOUMSRNU-IBGZPJMESA-N 494.577 1.940 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1760190601 SKBDKWZYNVCFRI-HXUWFJFHSA-N 464.551 1.038 30 10 JDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(CS(C)(=O)=O)cc1 1760224362 HTFZKYSWGCSROP-UHFFFAOYSA-N 452.540 1.978 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(-n2nc(C)cc2C)nc1 1760242758 NQQAXJYHHNFOFE-UHFFFAOYSA-N 450.547 1.748 30 10 JDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1760261792 CBVCMCMVCHKHPY-OAQYLSRUSA-N 461.545 1.502 30 10 JDEE C=C(Cn1c(N2CCN(CCOC)C(=O)C2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1760364768 BOILGRJCANCEIN-XMMPIXPASA-N 455.559 1.939 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1760517308 JBOXBTFDVFEKBT-UHFFFAOYSA-N 474.009 1.891 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1Cc1ccoc1 1761497403 FMXKHPUWDLGDBY-OAHLLOKOSA-N 473.534 1.867 30 10 JDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1763221035 BRAKISLGCCFHCL-OAHLLOKOSA-N 465.436 1.122 30 10 JDEE CCN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)C(C)C 1766889966 DVXHXTCEISOBFX-QZTJIDSGSA-N 466.594 1.336 30 10 JDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCCOCCCC)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865721759 AVHWWAXDKPLZGC-LJQANCHMSA-N 498.580 1.666 30 10 JDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(N(CC)CC)cc1 1865728866 JMZPXUGFGWZRPI-IBGZPJMESA-N 479.581 1.825 30 10 JDEE COc1cc(OC)cc(-n2nnc(C#N)c2NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c1 1870140383 OSOHTDFSEZVZHL-UHFFFAOYSA-N 496.480 1.550 30 10 JDEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(N(CC)CCc3ccncc3)ncnc21 1873561874 CQFINQPNXPQYRX-UHFFFAOYSA-N 463.586 1.831 30 10 JDEE C=CCn1c(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873672146 CSXPLTCHDPRSBC-UHFFFAOYSA-N 487.520 1.797 30 10 JDEE C=CCn1c(C(=O)N(CC)CCO)cc2c(NCCc3ccc(S(N)(=O)=O)cc3)ncnc21 1875231539 RLDFIILFSRKFIW-UHFFFAOYSA-N 472.571 1.374 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)CC2)CC1 1889509129 WNHLNJZATZJSGW-QHCPKHFHSA-N 466.626 1.996 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H](O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247881107 RMHIUJYZYOMGIY-CYBMUJFWSA-N 462.399 1.211 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC=CCN1C(=O)OC(C)(C)C 2255750987 SKMXCGKMHVBANQ-UHFFFAOYSA-N 454.358 1.432 30 10 JDEE CC(C)(C)OC(=O)N1CC(CO)(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255943727 UOUWQCXHEROMOD-UHFFFAOYSA-N 474.410 1.307 30 10 JDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256619303 YGOIIBDRAZPMRB-SNVBAGLBSA-N 460.312 1.842 30 10 JDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256677615 FVDQPNUYRTURGT-NWDGAFQWSA-N 454.358 1.080 30 10 JDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H](COCc3ccccc3)C(=O)O)c2)OC1(C)C 2256902077 QJVZEMQYYDXPEB-MRXNPFEDSA-N 467.374 1.996 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@@H](S(C)(=O)=O)C1 2266735212 ATMQHTFPAMLEKW-GJZGRUSLSA-N 467.397 1.825 30 10 JDEE CON(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267171934 QQFIZGGTCHAVIH-AWEZNQCLSA-N 450.345 1.732 30 10 JDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)CCS(=O)(=O)C1 2268721766 PVWOOBQHLMRYGG-QVKFZJNVSA-N 470.397 1.905 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](S(C)(=O)=O)[C@H](Nc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2280785193 QRLKRVOKYXEWMV-CABCVRRESA-N 485.387 1.964 30 10 JDEE Cn1cc(C(=O)N2C[C@H]3CC[C@H]2[C@H](NC(=O)C(F)(F)F)C3)nc1B1OC(C)(C)C(C)(C)O1 2282051187 GPSXPPRTICOKHS-SCRDCRAPSA-N 456.274 1.391 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 2282066902 MCEQGNWVTUEMPA-GJZGRUSLSA-N 464.372 1.521 30 10 JDEE CC(C)(C)OC(=O)NCCCN(CCO)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282300552 HSRDLNNLLCJSFO-UHFFFAOYSA-N 485.412 1.279 30 10 JDEE CN(C[C@@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1)C(=O)OC(C)(C)C 2282333658 REVDSDPTPMTKJI-HNNXBMFYSA-N 484.428 1.597 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282350377 MAGYGGDEPVATHI-HOTGVXAUSA-N 483.396 1.029 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2282351892 HFSBEGFRELDCPR-KGLIPLIRSA-N 484.428 1.689 30 10 JDEE CON(CCCNS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2282503800 GDBXCNROUSHFKJ-UHFFFAOYSA-N 488.416 1.495 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](C)[C@H](NC(=O)C(F)(F)F)C1 2282581651 KTORKSJCUDAEAW-DGCLKSJQSA-N 458.290 1.557 30 10 JDEE Cn1nc(C(=O)NC[C@]2(O)CCCN(Cc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2282614581 JQVJAEAKJOJKNJ-XMMPIXPASA-N 454.380 1.476 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)n1 2282625386 UTWDXFHHDBNTHP-QFIPXVFZSA-N 463.388 1.881 30 10 JDEE CC1(C)OB(c2nccnc2C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)OC1(C)C 2283064413 ZLCQHWZHBFWADZ-LJQANCHMSA-N 452.364 1.797 30 10 JDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@@H]21 2284119616 OCQDQBHNAKCRFV-MELADBBJSA-N 480.396 1.612 30 10 JDEE Cc1cccc(CN2CCN(C(=O)CN3CCN(S(=O)(=O)c4ccccc4C#N)CC3)CC2)c1 12819055 HQTXSDZPBCJJMY-UHFFFAOYSA-N 481.622 1.517 30 10 JDEE COc1cc(NC(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2N)cc(OC)c1 20527407 NIPAQLGNQSGULQ-ZVBGSRNCSA-N 488.486 1.800 30 10 JDEE C=CCn1c(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)nnc1-c1cccc([N+](=O)[O-])c1 59789150 RDAZLTSBODPMAR-UHFFFAOYSA-N 454.472 1.475 30 10 JDEE C=C(C)COc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 609002517 WDZYOOVZQAJJNH-UHFFFAOYSA-N 468.535 1.985 30 10 JDEE CC(=NNc1nc(SCC(=O)Nc2nnc(SCC(N)=O)s2)n[nH]1)c1ccccc1 1084252505 YVMXRMDXKBERFP-UHFFFAOYSA-N 463.574 1.801 30 10 JDEE C=C(C)C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)C(=O)OCC 1133157103 FPFKCFOSQJBDFY-RDJZCZTQSA-N 450.513 1.638 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1286382512 SDSBVYCYGBUGPQ-SJLPKXTDSA-N 477.562 1.650 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC(O)(CCC)CCC)[C@H]1CCS(=O)(=O)C1 1286390196 YMAOXCYHSYZTCN-KRWDZBQOSA-N 491.614 1.964 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1286394039 MWQVSANMXPDNBA-QZTJIDSGSA-N 468.645 1.777 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1286395780 NKRHXAPRTAKHKF-MOPGFXCFSA-N 475.590 1.965 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1286396885 WZYCXOXKKORFFH-BMGDILEWSA-N 495.627 1.215 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCS(=O)(=O)N(C)C)CC1 1286471470 KMQRJICAZBNAMU-KRWDZBQOSA-N 464.567 1.204 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCS(=O)(=O)C(C)(C)C)CC1 1286483848 AWCBFXHSKBJRRJ-UHFFFAOYSA-N 475.615 1.834 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1286485675 UMLVATSTLCXXAV-UHFFFAOYSA-N 487.605 1.347 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Cn2ccnn2)CC1 1286495723 CZJQMVKSKFOAGB-UHFFFAOYSA-N 451.560 1.800 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(N)=O)C1 1286503980 HLJDXUDDNMIXEB-JOCHJYFZSA-N 451.556 1.260 30 10 JDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1286710699 BKGISIANFJPISX-UHFFFAOYSA-N 483.617 1.817 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1286791148 NTJZJUNSMRBEQO-PKOBYXMFSA-N 492.602 1.410 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)(C)C)n3CCN/C(O)=C3\N=CC=CC3=O)C[C@@H]2C)CC1 1286888642 ZXHIQWIBUDAZRR-VAIHUBBGSA-N 498.632 1.091 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCS(C)(=O)=O 1298283582 HZNOGHMBPMFZNE-QGZVFWFLSA-N 451.574 1.123 30 10 JDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC(C)(C)C2)C1 1299072034 AFLOOLQSPSTYGI-HXUWFJFHSA-N 451.575 1.890 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1300479231 KAAKVLKWMVYLBR-GOSISDBHSA-N 458.588 1.575 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1300501302 JAOFYKGZUJSTES-VQTJNVASSA-N 477.656 1.404 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOC2=O)cc1 1300537382 GETWSJKRQNLQLK-GOSISDBHSA-N 453.524 1.258 30 10 JDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)CN1CCOCC1 1300591059 KLTUVXAHKUFWJV-IBGZPJMESA-N 454.600 1.701 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(F)(F)c2ccccc2)CC1 1300699943 KEEYYTPVWFPXRM-LJQANCHMSA-N 494.568 1.158 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)CC1 1300884378 KEKDAVZJGDSRDH-BBWFWOEESA-N 477.553 1.846 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1301496644 DVUPYBSCCDOROG-QGZVFWFLSA-N 471.562 1.681 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1301506384 KGRHADCLSOWSHV-UHFFFAOYSA-N 489.580 1.814 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1301509860 OLZFWOGEENFOFX-UHFFFAOYSA-N 466.521 1.040 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1301593617 QYWPGLVSJBBNEH-UHFFFAOYSA-N 497.643 1.156 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1 1302921747 RTIHHAZGXQXPTC-UHFFFAOYSA-N 455.565 1.826 30 10 JDEE C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)Oc1ccccc1 1303721467 DPAUVEDALHBIGY-MMOPVJDHSA-N 478.550 1.520 30 10 JDEE CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1307023855 HZNDCFDGOSNEDX-MOPGFXCFSA-N 460.560 1.471 30 10 JDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OC(C)C)c3ccccc23)CC1 1309800474 CBQJRILRXZVNBC-UHFFFAOYSA-N 451.570 1.401 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC(=O)NCC2CC2)c1 1358903231 PDEVYRUPPCJZDH-UHFFFAOYSA-N 457.538 1.846 30 10 JDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1358904113 VLXGUEXKGHEBHZ-NHCUHLMSSA-N 471.650 1.846 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1358957188 QUMFNRFUOKSUAL-AEFFLSMTSA-N 454.556 1.997 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1358958222 JSTDGEHBDVNNPZ-WMZHIEFXSA-N 465.535 1.944 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1358967193 FXHPNHLSDHSGOQ-HTAPYJJXSA-N 492.001 1.616 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)c2nc(C)cs2)CC1 1359028946 KGDNUZIJQUZDCZ-GOEBONIOSA-N 451.622 1.212 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N(C)Cc2ccccc2)CC1 1359039911 APMWLDRHQXSKGI-FQEVSTJZSA-N 479.629 1.903 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359104149 YQFSPXRMUNERDD-LQWHRVPQSA-N 488.614 1.592 30 10 JDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1359122136 ZUKJSAODUMTKGX-KRWDZBQOSA-N 477.562 1.623 30 10 JDEE C=C(C)COCCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1359136954 AAJRTPAZNURDJY-NQIIRXRSSA-N 456.609 1.925 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1359287868 ZXOIEBAWGJZWPT-HKUYNNGSSA-N 476.603 1.453 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1359304041 JMGQYORGZMLHRJ-MRXNPFEDSA-N 457.510 1.285 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(NS(=O)(=O)CC)CC2)cc1 1359307618 PSMMLCRHPQIUCV-FQEVSTJZSA-N 488.614 1.750 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1359337203 LUZRLEQFGXAVGO-OAHLLOKOSA-N 473.669 1.438 30 10 JDEE C#CCN(C(=O)c1cc(Br)nn1-c1ncccc1Cl)[C@H]1CCS(=O)(=O)C1 1359871527 MPMSYCIOHOHUGJ-NSHDSACASA-N 457.737 1.946 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1507628811 YLSSWWAPRFCLLB-UGKGYDQZSA-N 476.603 1.036 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCSCC2)CCCC1 1507660648 XQYSOCJKHXHRPZ-IBGZPJMESA-N 478.688 1.713 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2COCCO2)CC1 1507731572 LYLKDKLUDXNGGT-PMACEKPBSA-N 474.606 1.563 30 10 JDEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1507774748 BIUVXERBWRCACJ-AWEZNQCLSA-N 469.384 1.208 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(S(C)(=O)=O)CC1 1507803670 HASTWFZSEPFVSI-LPHOPBHVSA-N 474.587 1.920 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1507806363 MZNFQMPEJUAXSL-SJBKTWHCSA-N 457.579 1.462 30 10 JDEE C=CCCCCn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1507936984 JTFWRFXEBNSTEX-HSZRJFAPSA-N 462.595 1.460 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1508135295 ZWHGVEVRORNJJE-UHFFFAOYSA-N 498.609 1.493 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1508145454 MHGLGXJRNVRZSO-FPOVZHCZSA-N 494.706 1.846 30 10 JDEE CC(=O)N1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C#N)[C@H](c3ccccc3)C2)CC1 1508200579 GOGDTTAQKYITGE-WTOYTKOKSA-N 499.641 1.890 30 10 JDEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1)N1CCCC1 1513441334 ICNDAPUUDYOAND-OAQYLSRUSA-N 451.575 1.986 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1539203474 QPKHXDGPPULKPL-IBGZPJMESA-N 482.570 1.066 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(OCCN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1539210222 CAFYCMVOAVLEDL-NRFANRHFSA-N 496.637 1.899 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1539213332 XWSOUNFFRXHEBT-HZPDHXFCSA-N 453.952 1.282 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1539220430 SHABJKDQKPLLHJ-KRWDZBQOSA-N 491.564 1.833 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)N1CCOCC1 1539401261 YLZHDKHJESXFQE-INIZCTEOSA-N 465.396 1.853 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)N1CCOCC1 1539643271 LUENAUZXEKTRBO-UGKGYDQZSA-N 457.579 1.416 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1539744141 CWWFMRCJEUMAOH-VQTJNVASSA-N 473.622 1.345 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1540873435 XMCRTFCUMPSKTM-UHFFFAOYSA-N 459.554 1.837 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540907258 QCDAOIRBMAKLKS-SFHVURJKSA-N 497.643 1.236 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1540907302 ROPADMVQPLSQBU-SFHVURJKSA-N 482.628 1.698 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1540907614 CLZKXVZMNZOWKK-MRXNPFEDSA-N 456.638 1.199 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccc2F)CC1 1540907743 GZIRYBIQGFFADL-HKUYNNGSSA-N 494.593 1.464 30 10 JDEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCN(C)S(=O)(=O)CC 1545545773 DQPWDMYCUFMIBZ-QZTJIDSGSA-N 489.650 1.840 30 10 JDEE N#Cc1ccncc1N1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1569814626 BXPIBZTXNMUCDR-UHFFFAOYSA-N 453.568 1.849 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)COCCO1 1588233309 GWEIHOVUFWCFOV-NTKDMRAZSA-N 473.574 1.855 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNS(C)(=O)=O 1588378617 MNIGLQHANFZQCC-MRXNPFEDSA-N 454.597 1.401 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1588733476 URSJSMPGFNKSTA-QGZVFWFLSA-N 453.513 1.154 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1588750819 FZMSRYDSZQGHLP-OAQYLSRUSA-N 457.376 1.941 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC(C)C)cc2)CC1 1588811944 NOBZCLDVOJVSFW-FQEVSTJZSA-N 457.600 1.771 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C)N(C)C)CC1 1588962009 RFAHTWCLISQUJA-GOSISDBHSA-N 454.575 1.782 30 10 JDEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCN(CC(=O)NCCOC)CC1 1595323982 JXKGCSNFQZVVQE-UHFFFAOYSA-N 463.380 1.778 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)Cc2cccc(F)c2)C1 1595723161 SHZRPAXKTPSWRX-RTBURBONSA-N 456.522 1.509 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1595766288 NTSNRNBCMZUQLZ-HXUWFJFHSA-N 489.598 1.382 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1595789190 OWCOOYKOFBSFQC-KGLIPLIRSA-N 465.498 1.378 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1595884042 GHPSIFJWYGFTLG-LJQANCHMSA-N 496.703 1.234 30 10 JDEE O=C(NCCN1CCOCC1)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=Nc3cccc4ccccc34)S[C@@H]12 1614386110 FZNDUAQRMCRXEC-YYDGMXKLSA-N 470.595 1.091 30 10 JDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)OC 1619596271 GSKMFRSEYIXMSG-IAGOWNOFSA-N 466.464 1.983 30 10 JDEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)C1 1620172376 BWDVNPYXHYILFL-HXUWFJFHSA-N 499.641 1.985 30 10 JDEE CS(=O)(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1620177378 BUDJZVSNVKTMJO-UHFFFAOYSA-N 484.561 1.150 30 10 JDEE Cc1ccc(C(=O)NCCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(O)c1 1624061864 GBCKYGWQPKTPFE-UHFFFAOYSA-N 456.524 1.225 30 10 JDEE C#CCN1CCN(C(=O)CN2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)CC1 1643780350 PRUVRORHZXUJMT-OALUTQOASA-N 454.468 1.440 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CCN(C(C)=O)CC1 1689866886 MLQIVTHWYJXDBK-ICSRJNTNSA-N 473.622 1.972 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1689930152 LNXKIOLWRGXTSX-FQEVSTJZSA-N 475.571 1.780 30 10 JDEE C#CCN(c1nnc(C)n1CCCS(=O)(=O)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689982630 QZMOYSNGQGGEEN-LJQANCHMSA-N 450.586 1.218 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1689983983 IVDMALRBBXFMRE-GIMINZRKSA-N 495.001 1.774 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cscc1C)[C@@H]1CCS(=O)(=O)C1 1689990146 MEINIXUTDOSBFO-DOTOQJQBSA-N 468.626 1.225 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCn1cc([C@@H]2CCOC2)cn1 1690034273 CEOZKEAEKVEWIP-HYBUGGRVSA-N 452.559 1.794 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(Cl)c2C)CC1 1690136904 LAHNKOVZLWELOQ-INIZCTEOSA-N 493.033 1.864 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2cnnn2C)CC1 1690137761 IBUBZIBPLXOFSO-MRXNPFEDSA-N 466.521 1.700 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCCN2CCOCC2)CC1 1690146462 OCNMKVPRIKNXFE-OAQYLSRUSA-N 458.607 1.598 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1690465041 QAXCLXQTZLCBAH-TUVJXNFZSA-N 453.609 1.565 30 10 JDEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690508740 OLMZEWJBQCKXCI-HXUWFJFHSA-N 477.587 1.901 30 10 JDEE C=CCCOCCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690512082 MCSSTBREIGHPEK-DEOSSOPVSA-N 492.621 1.486 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCCN(CC(F)(F)F)CC1 1690713999 BFRYUHOYKMIULE-UHFFFAOYSA-N 478.541 1.189 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(Cn2ccnn2)CC1 1690726883 PBOLTJMOBOSDAV-UHFFFAOYSA-N 456.576 1.373 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1690730112 WGXNQJIVQBIYHY-AZUAARDMSA-N 473.599 1.823 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCS(C)(=O)=O)C[C@@H]2C)CC1 1690863677 IEBYYFOQSNEVAX-PGRDOPGGSA-N 499.641 1.240 30 10 JDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1694211544 DIBQIBPLOKKTJF-HXUWFJFHSA-N 492.628 1.866 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(O)CCCC1 1694351272 HDWQESZAHVBCBD-KRWDZBQOSA-N 481.605 1.878 30 10 JDEE CCOc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1OC 1696108303 GCWVFHMMLFAOKH-BTYIYWSLSA-N 463.560 1.640 30 10 JDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1696483191 ACJUEOISHYIKTR-UHFFFAOYSA-N 488.614 1.904 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2)CCO1 1696972672 ICCWSTOKRAGDES-RTBURBONSA-N 456.572 1.966 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1705499889 AUKWQJBMTGKWED-JTHBVZDNSA-N 499.685 1.525 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCC(=O)N2CCOCC2)c1 1705506610 CKNXXQOYTPRVCM-LJQANCHMSA-N 466.542 1.087 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)ccc2Br)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1705559976 CPPHTOFHEYFWRQ-CQSZACIVSA-N 495.399 1.868 30 10 JDEE C#CCN(c1nnc(-c2ccc(Br)s2)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1705561779 UAUFYQYVFAVQJE-GFCCVEGCSA-N 496.416 1.573 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCC(O)CC1 1705595725 DIBHUGGMVKOPPU-UHFFFAOYSA-N 487.608 1.985 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)c(OC)c1 1705598257 FOHYVVHBYBSXHU-FQEVSTJZSA-N 492.001 1.784 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(OC)c(OC)c2)CC1 1705645336 QPPWYZXGCCPIBJ-SANMLTNESA-N 497.596 1.962 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCn2ccnc21 1705716700 SFOHFIMRNPCCBS-MSOLQXFVSA-N 463.608 1.788 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 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C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1539116437 OAOBREBUVBHGEJ-INIZCTEOSA-N 469.571 1.773 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC=C)cc1 1539264994 BPJXXBNMGKFYBG-NRFANRHFSA-N 469.567 1.297 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OCCC 1539325151 CQBCJNWMENENKY-FQEVSTJZSA-N 486.598 1.306 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CN1CCCC1 1539325268 FCMOSFSKDNJVCA-HXUWFJFHSA-N 476.647 1.196 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2C[C@]2(O)CCO[C@H]2C)n1 1539424664 VEMVTCLYZDXPGN-YADARESESA-N 465.558 1.671 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(NC(=O)OC)c2)CC1 1539446856 KNGXLVRVDSGJKO-GOSISDBHSA-N 472.571 1.162 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(C)(C)C)CC1 1539452389 RFMADHGTQYYTHN-SFHVURJKSA-N 452.625 1.193 30 10 JDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539491492 RUORELLLEIEURW-UHFFFAOYSA-N 477.635 1.137 30 10 JDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539526350 NJYGXEOGNGCKNX-KRWDZBQOSA-N 474.612 1.565 30 10 JDEE C=C(C)Cn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539723106 ODXSQGZBCUGPPN-QHCPKHFHSA-N 460.579 1.166 30 10 JDEE C=C(C)Cn1c(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539733608 HBGDIMMWLTYYQB-VWLOTQADSA-N 488.633 1.835 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCC[C@@H](C)C1 1540072069 JEZYCOOKCXJEGP-QZTJIDSGSA-N 454.641 1.744 30 10 JDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1540856947 KLJVBOKMXPLYNT-UHFFFAOYSA-N 467.621 1.284 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2c(OC)cccc2OC)CC1 1540862232 VXFFSMJSACUGKW-UHFFFAOYSA-N 498.584 1.881 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1540872727 YXCXLOCYMAMSDY-JXFKEZNVSA-N 460.529 1.606 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1540902399 ILJREFDPUSHZTD-ZWKOTPCHSA-N 453.609 1.371 30 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JDEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1594660206 JHXPNOJXMVVAGK-OALUTQOASA-N 462.595 1.532 30 10 JDEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(S(C)(=O)=O)CC1 1594789125 YVXPSFCQIBLGNG-UHFFFAOYSA-N 473.397 1.710 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(C)cccc2C1 1595760408 MLPRYXUOOIAJDU-INIZCTEOSA-N 467.617 1.360 30 10 JDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1615133358 APVPDBSBQPUKQK-UZUQRXQVSA-N 454.531 1.591 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(=O)N(CC)CC)c(Cl)c2)CC1 1672689121 CNOJZHNXWCRHQD-UHFFFAOYSA-N 455.968 1.439 30 10 JDEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 1684299278 HCLAAQGHVTWPNB-MRXNPFEDSA-N 455.533 1.127 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)OCCOC)n1CC(=O)N1CCN(c2ccccc2)CC1 1689827276 CIWANDUSAURBMP-UXHICEINSA-N 454.575 1.809 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1689837843 NZLYOOMYBACDRR-ACJLOTCBSA-N 453.362 1.715 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1689893162 VWIXAJWZTCTNSW-NRFANRHFSA-N 469.611 1.875 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1689983953 IMFAZXROOKQPSI-INIZCTEOSA-N 464.979 1.489 30 10 JDEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C(CC)CC)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689987996 HHOFFDKBEXQCEA-SFTDATJTSA-N 463.648 1.919 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCOCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689996821 OZUNTHLMNYDZME-JOCHJYFZSA-N 482.610 1.983 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1690076843 CAYMPUTWOWEJAP-AQNXPRMDSA-N 480.679 1.827 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](F)COC 1690103494 DNFWXHOAHLUIQR-SJORKVTESA-N 455.531 1.657 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1690104244 QPNSLIVJMIPUFX-GOSISDBHSA-N 451.593 1.059 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCN2CCCO)CC1 1690148420 GLJQEEJIVSFBOL-HSZRJFAPSA-N 482.604 1.821 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1690236879 SHKLTALQDUBKKL-QRVBRYPASA-N 465.620 1.899 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS(=O)CC1 1690239216 TYCGLXUCIQPQNJ-MJGOQNOKSA-N 464.613 1.899 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1690309662 GKYKMUPSZMBUGI-OALUTQOASA-N 480.635 1.653 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cnn(C)c2)CC1 1690313653 ZSGZLUHSFUVCQL-HXUWFJFHSA-N 493.634 1.321 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1cnn(C)c1 1690432692 JHIDOBBAGXPTIO-SFHVURJKSA-N 465.624 1.973 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1690662794 DOKXPVSBEZZHJR-UHFFFAOYSA-N 484.358 1.666 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1690663171 OFHRQPVBEZVUDO-LJQANCHMSA-N 466.502 1.950 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCc2nccs2)c1 1696620853 BBYZVRGJXKZCOO-MRXNPFEDSA-N 473.584 1.623 30 10 JDEE COCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CCOCC1 1697804420 BDSYDDHOHKJOSD-NRFANRHFSA-N 468.558 1.601 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CCn2cncn2)CC1 1705632942 FTYUEZMWCPHUKM-LJQANCHMSA-N 450.547 1.864 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(=O)NCC=C)CC1 1705643750 RDHTXUGRYLUUGY-HDICACEKSA-N 457.579 1.106 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)OCC)C1 1705695830 CQAMAFXCUGZJLK-BDXSIMOUSA-N 484.623 1.584 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1705717062 BOYHSSXXBUCPMT-SJORKVTESA-N 461.579 1.939 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)C[C@@H]1CCCO1 1705902809 JUGOEZNYJGCXFO-IBGZPJMESA-N 454.579 1.760 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705913719 VWQXSFOYROZMKY-RBUKOAKNSA-N 461.588 1.913 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](C(N)=O)C1 1705932752 JZYXPKYDWYDNOE-OAHLLOKOSA-N 463.560 1.265 30 10 JDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1708617029 ASXHVQHINFKSFN-KRWDZBQOSA-N 475.557 1.708 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2c(CC)cccc12 1722353748 ZIDSSNOMSGOJQV-HXUWFJFHSA-N 470.599 1.967 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722365770 PIIPVPOSNDWLQR-RBUKOAKNSA-N 473.599 1.750 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1722370024 KJDNPONMJNHCKM-QGZVFWFLSA-N 462.547 1.928 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1722402243 JSVPYPUVHMKKJA-IAGOWNOFSA-N 468.624 1.995 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1CC1(O)CCS(=O)(=O)CC1 1722420827 LZFUXAWHOFWUNZ-UHFFFAOYSA-N 458.540 1.717 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722429684 VDHCLNMICKRZGI-UFYCRDLUSA-N 465.620 1.810 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@](C)(O)c2ccccc2)CC1 1722445942 GKMGBAMKRCEYNE-VWLOTQADSA-N 461.570 1.942 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCSc2ccccc2)CC1 1722446860 AKMAUSGJLWMNIS-IBGZPJMESA-N 452.584 1.987 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2CCS(C)(=O)=O)CC1 1722451049 WSJNOFOISJKQOZ-UHFFFAOYSA-N 491.639 1.589 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1722492438 SJMKXNHRRHEPSQ-VIQHNZTISA-N 477.653 1.127 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCn2nc(C)nc2C1 1722688644 HZZURPBEEZRMPT-UHFFFAOYSA-N 457.336 1.930 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@](O)(c3cccc(F)c3)C2)nnc1[C@@]1(OCC)CCOC1 1722731142 FGSIIIRRFAOZRE-XZOQPEGZSA-N 494.589 1.768 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)C1 1728680447 ALEBAGXXKXTPKP-GOSISDBHSA-N 455.548 1.017 30 10 JDEE COCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)CCC1 1730510484 AZZKGTOJYCPYDX-QGZVFWFLSA-N 467.578 1.610 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1740592446 XSMSAOIGWBPETA-SFTDATJTSA-N 495.646 1.579 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1740623297 RACXAEJQZJESJN-IBGZPJMESA-N 470.599 1.678 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC(OCC)C1 1740685973 NODIMABTVIJSPJ-SZTYLXMGSA-N 493.605 1.603 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(C(F)(F)F)CC1 1740865024 QRJSPBBHSPTEBF-HNNXBMFYSA-N 481.541 1.861 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1740962318 AKPWTEFXCMFIRT-UHFFFAOYSA-N 456.554 1.959 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1748751256 DMEVUZYVDPTMAS-MJGOQNOKSA-N 461.592 1.272 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(-c2ccco2)n1 1748790931 OTKXDWFENPDRPX-MRXNPFEDSA-N 462.557 1.445 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1748824117 JHFHQZOOAOARIE-KRWDZBQOSA-N 462.572 1.653 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1748863584 ALHZXLYWFNAVQK-PZJWPPBQSA-N 485.610 1.876 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cc(F)cc(F)c2)CC1 1748976778 ADDVRIFSRFEJIF-HNNXBMFYSA-N 452.531 1.164 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1749736445 JBZCPOIETUXQLG-MRXNPFEDSA-N 486.520 1.370 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1749783852 UQAYAODMGRJDQV-QURGRASLSA-N 483.598 1.904 30 10 JDEE CC(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC1(C(N)=O)CCOCC1 1750648474 CALUQFMHUGPAIL-UHFFFAOYSA-N 451.575 1.877 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760096132 GLIGFKWIVYENSG-MRXNPFEDSA-N 464.530 1.638 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](C)N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1760182161 HLKQPTOVOWUUDD-VAMGGRTRSA-N 450.653 1.444 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1760183617 CFYTVYZNYNXXJW-MKTHODDLSA-N 480.612 1.358 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1760188551 PGJHQYPQSAKOAF-QZTJIDSGSA-N 472.633 1.361 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760189406 INJIQGKJDHUROQ-QGZVFWFLSA-N 463.629 1.862 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CC[C@@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1760190947 XHBLTWBOASQJQI-IAGOWNOFSA-N 471.505 1.858 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)Cc2ccc(OC)cc2)CC1 1760254215 RHLSSZOQPYSFRW-OALUTQOASA-N 474.631 1.531 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1760315289 CGTDRZBRMQEKHS-MANSERQUSA-N 482.651 1.611 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1760450490 LYZNPYATCNLIGG-DYESRHJHSA-N 454.593 1.547 30 10 JDEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760509489 KIWDZTLXJSQJSU-KRWDZBQOSA-N 451.531 1.763 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1760526045 BIWVALVGFXPTSJ-GOSISDBHSA-N 472.594 1.888 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2csc(C)n2)CC1 1760526940 WHRMJEBEJRJIPS-UHFFFAOYSA-N 469.619 1.529 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(C(=O)C(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1760528955 RQWWMISXZJQJPZ-LJQANCHMSA-N 459.469 1.580 30 10 JDEE C=CCOc1ccccc1Cn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760533885 OMAVZHQNBVJOQQ-SQJMNOBHSA-N 485.585 1.883 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1760558816 BFBGXSXXOXBVBL-UHFFFAOYSA-N 485.614 1.920 30 10 JDEE CC(=O)N1CCN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1760617295 FXNFOKAVMWYJNH-FCQUAONHSA-N 463.542 1.258 30 10 JDEE CC(C)(O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1760817138 GNMXKJNBQQGVFT-HXUWFJFHSA-N 472.615 1.535 30 10 JDEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(CC)CC)CC2)no1 1762750944 CWBWQTGBJAFDGR-UHFFFAOYSA-N 491.600 1.995 30 10 JDEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)S(C)(=O)=O 1766867414 GEMMKBJRZLWUIQ-MOPGFXCFSA-N 487.586 1.423 30 10 JDEE C=CCN(CC=C)C(=O)NS(=O)(=O)c1ccc(CCNC(=O)CNC(=O)c2ccccc2)cc1 1858983672 QCAPROQPGBWPIE-UHFFFAOYSA-N 484.578 1.848 30 10 JDEE N#Cc1cccc(NC(=O)[C@H](CO)NC(=O)C[C@H](c2cccc(Br)c2)c2nn[nH]n2)c1 1867250209 IAFQHKGAGJZBDN-SJORKVTESA-N 484.314 1.472 30 10 JDEE Cc1cccc(C)c1Cn1nnc(C#N)c1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870110894 NAMOMQQSNXIOTL-UHFFFAOYSA-N 459.422 1.958 30 10 JDEE COc1cc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc(Cl)c1O 1874338339 QPOVMKXRXBQYPW-DYFGUKFHSA-N 466.951 1.830 30 10 JDEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CCC(COc2nccnc2C#N)CC1 1891531715 GBBZVEDZJQEOGI-IBGZPJMESA-N 486.598 1.771 30 10 JDEE Cn1nc(C(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2255624699 HCRXSHLERSMUNW-KPFFTGBYSA-N 466.347 1.859 30 10 JDEE C[C@H](C[S@@](C)(=O)=NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255630749 OHZQZUGDYRDBNM-MDQXEJNYSA-N 456.374 1.860 30 10 JDEE COCCN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267098485 ZQJFTSXVGLRPLT-UHFFFAOYSA-N 450.345 1.417 30 10 JDEE CC(C)(C)OC(=O)NCC[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCO1 2267134977 WWUMHOBJTJOYKV-CQSZACIVSA-N 450.345 1.465 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267469883 BRMIGWFAVTUNOP-UKRRQHHQSA-N 488.437 1.865 30 10 JDEE Cc1nc(C(=O)N2C[C@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267480149 VSBQOKSRAJLZBI-ZIAGYGMSSA-N 467.397 1.851 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)n1 2267706452 YZDSZABIZJRTNM-UHFFFAOYSA-N 470.401 1.397 30 10 JDEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2269885914 AWOACPHFJYNKHN-CQSZACIVSA-N 452.361 1.067 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C 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YEVZAEKYXMMXPN-UHFFFAOYSA-N 468.535 1.657 30 10 JDEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1cccs1 729673325 YZMKDGZFMYNLLG-UHFFFAOYSA-N 491.598 1.224 30 10 JDEE C#CCN(C(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)[C@H]1CCS(=O)(=O)C1 917588997 CAKBUZYNBQIZPS-AWEZNQCLSA-N 492.044 1.180 30 10 JDEE C#Cc1cccc(NC(=O)CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)c1 918647351 MSPSVBLJUCWQDH-UHFFFAOYSA-N 454.552 1.887 30 10 JDEE C=CCn1cc(C=NNc2nc(SCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cn1 1084006822 WOOXMANIDCENIS-UHFFFAOYSA-N 475.560 1.402 30 10 JDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n[nH]1 1084063995 MMGUXBFUIMQIRK-UHFFFAOYSA-N 459.492 1.695 30 10 JDEE COc1ccc(O)c(C=NNc2nnc(SCC(=O)Nc3cccc(NC(C)=O)c3)n2N)c1 1084287815 YQAKQDOQEQVWID-UHFFFAOYSA-N 470.515 1.841 30 10 JDEE COc1ccc(C=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(CCO)CC2)cc1 1084417438 ZEAYQHSQXSFBOP-UHFFFAOYSA-N 463.516 1.348 30 10 JDEE C#CCC(C)(C)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1136109948 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C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)S[C@H](C)C1 1286541135 HJXSNORZVDHHNL-HZSPNIEDSA-N 480.454 1.850 30 10 JDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1286621002 XULDBHOLZDMFCA-LLVKDONJSA-N 462.901 1.663 30 10 JDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(C(F)(F)F)CC1 1286706627 RTCFGBBRZHJRQF-CYBMUJFWSA-N 455.503 1.375 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC2CC2)CC1 1288268613 GKGFNJFTVVMXMI-UHFFFAOYSA-N 457.604 1.677 30 10 JDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccccc2S(=O)(=O)N(C)C)n1 1290645568 BHAQONZZEUZIBL-IBGZPJMESA-N 484.586 1.167 30 10 JDEE CCS(=O)(=O)NCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](C#N)C1 1297769824 HBHWSKOSKRWMRH-QZTJIDSGSA-N 462.576 1.703 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccccc1F 1300410818 QRAXYJRLCURNSJ-IBGZPJMESA-N 465.551 1.679 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1300465503 NNDRBJAHGIXLPH-OKZBNKHCSA-N 453.609 1.522 30 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C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1359035556 XQKXRBCUXYUWJZ-SFHVURJKSA-N 453.534 1.758 30 10 JDEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1359049068 HLLUERDGIQXKHC-FQEVSTJZSA-N 479.614 1.522 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CC(N)=O)C1 1359055143 UEJNJYLSPRDBAZ-INIZCTEOSA-N 465.583 1.650 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COCCO1 1359071031 AQKVMDBGSKRZCQ-PMAPCBKXSA-N 461.563 1.994 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCOC)C(=O)C1 1359106521 GYXZWHONRCDUNI-JYRKZWEQSA-N 463.579 1.278 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](OC)C1 1359333303 UBFNHDZAOCPTKY-SJORKVTESA-N 485.607 1.412 30 10 JDEE C[C@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccco1 1360726374 CKIOVTOSQIGJMD-QFIPXVFZSA-N 470.555 1.789 30 10 JDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)c(I)c1 1462894845 GEGZLIHSARBRNX-LBPRGKRZSA-N 455.339 1.963 30 10 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C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1c(F)cccc1F)N(C)C 1507653996 ULASWVSHOXOLKO-QFBILLFUSA-N 461.538 1.834 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1507688464 AVJDBTSRYWYLTQ-ACRUOGEOSA-N 480.679 1.829 30 10 JDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC2(C(=O)NCC)CCC2)CC1 1507726640 COXLIIZZIYIEMW-UHFFFAOYSA-N 450.587 1.961 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(C)=O)CC1 1507783680 DSCDJQLJGGDMSM-AWEZNQCLSA-N 460.398 1.536 30 10 JDEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1507987101 OZZNFPCLJAWTGM-HCXYKTFWSA-N 453.609 1.829 30 10 JDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(-n2cncn2)nc1 1509734995 CTGQSVSFBSRWMI-UHFFFAOYSA-N 456.514 1.802 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1CCOCC1 1513399775 CEVHGUWMTBEQOV-QGZVFWFLSA-N 481.605 2.000 30 10 JDEE CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)CC)CC1 1514232440 BBIZFJRNQNEGBR-UHFFFAOYSA-N 473.603 1.641 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(Br)C1 1539072503 RVWUTESMNRNSRT-MRXNPFEDSA-N 472.409 1.903 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539200811 PAIPCFZUNCEYAU-NMMYMHLASA-N 490.674 1.651 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1539200971 UCERIOJVJAMFSH-QGZVFWFLSA-N 453.634 1.530 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1539201663 BORQUQYWKBATHC-ROUUACIJSA-N 473.603 1.282 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1539201722 CIFGASDKUUBEPD-CMKODMSKSA-N 484.582 1.533 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CCCNC(=O)c1occc1C)[C@H]1CCS(=O)(=O)C1 1539202864 LQRAQUNTXRBQDU-KRWDZBQOSA-N 461.588 1.924 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1539203934 WEILITYGIWRQOB-SFHVURJKSA-N 463.991 1.939 30 10 JDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1539207166 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1588969054 VBHNAMRYZUAPKF-UHFFFAOYSA-N 468.558 1.356 30 10 JDEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1594568233 UYJDUGZZKDPFQZ-IBGZPJMESA-N 465.558 1.651 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(c2ccnc(C)n2)CC1 1595595049 QWQUPBBAJGVBCW-UHFFFAOYSA-N 466.521 1.723 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(F)F)CC1 1595766607 UWKFZSJSETUDTO-UHFFFAOYSA-N 470.502 1.841 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1595823255 MRAYPRDKPZANKZ-HSZRJFAPSA-N 473.599 1.753 30 10 JDEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C(N)=O)nc1 1611761090 CYLORAHJTLNHCG-HOCLYGCPSA-N 451.462 1.828 30 10 JDEE C#CC[C@H](CCOC)NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1684425540 NIMGPIPYCJOIEF-TVFCKZIOSA-N 450.536 1.639 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC[C@@H]2COCCO2)c1 1689868398 FTEJTXNUHUBEQN-LJQANCHMSA-N 454.531 1.278 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccccn2)c1 1689871928 JEDHETBWTVFAMQ-LJQANCHMSA-N 478.578 1.874 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(CCOC)CCC1)[C@@H]1CCS(=O)(=O)C1 1689977862 FOMMEPBCVZJMJM-GOSISDBHSA-N 463.604 1.348 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1689996659 LLVQVLMYIOOJBK-INIZCTEOSA-N 473.580 1.846 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1690047609 VGCUSVUGPOHYFA-QHCPKHFHSA-N 495.649 1.900 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1F 1690047817 ZIYUBSKDXXBFHJ-HXUWFJFHSA-N 459.547 1.456 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2nccc(C(F)(F)F)n2)CC1 1690110484 NYTDCPGYBRZHQX-UHFFFAOYSA-N 450.469 1.223 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCNC(=O)C(C)C)CC1 1690134817 HAQIMUJMMHDSOZ-BGYRXZFFSA-N 487.649 1.966 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1690155409 JSIHNLHUBGTQLU-GOSISDBHSA-N 487.655 1.843 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cncn2)C1 1690235623 BQHDCYRHRUJIGQ-MLHJIOFPSA-N 464.596 1.303 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690602773 WHJJRDNGZFXMFR-DEOSSOPVSA-N 496.593 1.710 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1690658815 AFFIUOHDCSFLQR-UHFFFAOYSA-N 481.948 1.603 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1690675135 PWXUHHWUEJNOQZ-IBGZPJMESA-N 453.551 1.236 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1697022109 FBFUBRXTUGVCPX-UHFFFAOYSA-N 470.534 1.227 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2[nH]ccc2c1 1705494900 HXQGNVFOUUGDNF-OXQOHEQNSA-N 456.572 1.793 30 10 JDEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1705543485 IKTKOMPFSCZEFW-UHFFFAOYSA-N 463.546 1.223 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1705551358 MLPINYOYSBYSCX-FGTMMUONSA-N 467.636 1.910 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1705566013 LHVVNGFPNBVZNY-ZGXWSNOMSA-N 498.671 1.258 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@](=O)C(C)(C)C 1705580823 RECVATZOBLZROW-YTTGMZPUSA-N 450.568 1.812 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(N(C)C)CCSC2)CC1 1705632579 VDBXBVYNFMGQQF-QFIPXVFZSA-N 454.604 1.118 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)c2ccsc2)CC1 1705644099 XSWXMROZWVIZHW-QFIPXVFZSA-N 458.588 1.351 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[C@@H](OC)C(F)(F)F)CC1 1705645427 UBXWLNQZBUBIHQ-DYESRHJHSA-N 487.523 1.863 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCCC 1705670118 JEHRXHMVWZULCY-JOCHJYFZSA-N 458.588 1.714 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cnn(CC(C)C)c2C)CC1 1705769068 IBQSGOQOQCEEOH-HXUWFJFHSA-N 477.635 1.977 30 10 JDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705812607 FWYDWOGFLKUKBU-UHFFFAOYSA-N 496.659 1.633 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1705896618 SHFGWZMSWFFCLV-WAIKUNEKSA-N 457.531 1.649 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCOC(C)(C)[C@@H]1C 1705900995 WZKYCAHNIVRGBZ-HNNXBMFYSA-N 461.592 1.544 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1705912577 NWDAFQJZAJLZGC-NZSAHSFTSA-N 488.614 1.558 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)SC)c1 1722304844 JOEVLMJGIAHOOR-CABCVRRESA-N 464.617 1.696 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1722366649 SBHXIVIQCLKVCO-RDJZCZTQSA-N 467.979 1.726 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCC(=O)NCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1722368046 YMHJVYOSISFFRT-QFIPXVFZSA-N 492.605 1.597 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722371817 LUVWQQDXEBHNAY-HXUWFJFHSA-N 455.584 1.216 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCNS(=O)(=O)c1ccc(C)s1 1722388154 XATUOCFLICPHPN-UHFFFAOYSA-N 462.601 1.228 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1722399616 DJNRVBQPWWMBPM-FQEVSTJZSA-N 481.626 1.740 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1722618887 WVCUQBCWOHYVHQ-NHCUHLMSSA-N 491.614 1.861 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1722690076 FCULPASCIMRSAE-VAMGGRTRSA-N 459.639 1.911 30 10 JDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1722698040 SRJQJLJMEXHRBY-HOTGVXAUSA-N 458.588 1.997 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1722702228 LRDJIMUJIQYEHY-HNNXBMFYSA-N 454.560 1.299 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NCC)CC1 1722729320 JFKNYALRBCVMIO-UHFFFAOYSA-N 481.022 1.975 30 10 JDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1722738000 YTDRERFKAATPAF-QGZVFWFLSA-N 469.571 1.062 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccn(CC)c2=O)C1 1728680445 AIGXOWPLHTZHLU-FQEVSTJZSA-N 481.582 1.565 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCN(CC)C2)c1 1740562194 MCBWJJCKDYLCQP-LJQANCHMSA-N 451.575 1.814 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(N2CCO[C@H](C)C2)nc1)[C@@H]1CCS(=O)(=O)C1 1740616026 PXQAUPBXNZMNJL-UYAOXDASSA-N 486.642 1.871 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCCN1C1CC1)[C@@H]1CCS(=O)(=O)C1 1740616223 WHQAOSCTELUTTI-NHCUHLMSSA-N 490.674 1.840 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740629094 AFVWRNVYTULLRZ-ZVDOUQERSA-N 474.583 1.708 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1CCS(=O)(=O)N(C)C 1740679382 WSMUCHDMVIDKHT-UHFFFAOYSA-N 456.547 1.934 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](OC)c1ccc(F)cc1 1740685125 BHAKWHFWRZHXFX-HKUYNNGSSA-N 450.536 1.793 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c(OC)c(OC)c1 1740685320 DYOTULXLFIVHIR-INIZCTEOSA-N 482.990 1.985 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C#N)C1 1740960219 NNDVFGWEVCHKOC-QGZVFWFLSA-N 459.551 1.424 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1740986039 QPBSVBQJHMXUGK-QGZVFWFLSA-N 461.592 1.362 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1740987177 BOZHJFZPQBXSMY-AWEZNQCLSA-N 475.493 1.952 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](N3CCCC3=O)C2)nnc1[C@@]1(OCC)CCOC1 1740994867 XOYISEHYHBXRGO-XMSQKQJNSA-N 481.619 1.122 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740994949 WRDWOZAVXVBWNF-UHFFFAOYSA-N 487.630 1.432 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccnc1OCC(F)(F)F 1741942844 BJHXWGVRUNIEPH-GXTWGEPZSA-N 489.480 1.001 30 10 JDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(OCC(=O)N(C)C)c2)CCOC1 1746733469 HTXNSMOIRPMYSS-RDPSFJRHSA-N 484.557 1.174 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748802873 SOMUPGWTVUMOOG-VQTJNVASSA-N 472.615 1.346 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC1(S(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1748819061 JSQDUGRSVMJFJB-OAHLLOKOSA-N 498.577 1.351 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1748819149 LOIRCFPVZLZDNK-DWLFOUALSA-N 457.600 1.952 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1748971620 XAVSDIGCDDNBDS-UHFFFAOYSA-N 465.480 1.556 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1748973106 XXONRXNMXHTAOF-PMACEKPBSA-N 480.617 1.568 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nnc3n2CCCC3)CC1 1749251447 FLOBUEOURCWPFS-AWEZNQCLSA-N 469.015 1.953 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](c3ccnn3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749682226 PPGBUSLUJGJRTI-WZONZLPQSA-N 457.579 1.738 30 10 JDEE C=CCNC(=O)Cn1c(N2CCCN(C(=O)c3ccsc3)CC2)nnc1[C@@]1(OCC)CCOC1 1749682249 PXIKCJMKPMXENT-HSZRJFAPSA-N 488.614 1.646 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1749721597 OQCAMYUMNWSMAS-IEBWSBKVSA-N 486.598 1.463 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1749723712 AYVWBEOBXXFJKT-UHFFFAOYSA-N 490.630 1.582 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1760185712 BRMNCCATYBADBP-INIZCTEOSA-N 491.520 1.957 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1760188475 ALYBWKPRYQWRDW-CQGGRAHPSA-N 452.577 1.403 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1760191669 LLYRWHNCYWBBBG-HXUWFJFHSA-N 468.583 1.823 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccc(Cl)cc2)CC1 1760261913 SQRHUQUFOMAPLM-KRWDZBQOSA-N 463.991 1.668 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1760525967 YQEFVHMUOGJSQK-UHFFFAOYSA-N 463.502 1.196 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCCN(CC(F)(F)F)CC1 1760553480 DIFKDFBYGHTBTI-UHFFFAOYSA-N 459.498 1.410 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760554364 AXOYEFOSOZEMHJ-OAQYLSRUSA-N 463.535 1.640 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC(=O)NC 1760556142 VVMMJFNHOZNNOB-KRWDZBQOSA-N 498.650 1.566 30 10 JDEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1 1765470769 CTRZOMFQPCJDTO-OPAMFIHVSA-N 466.525 1.915 30 10 JDEE CCN1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(=O)OC)C2)CC1 1765569691 FLSPSPIXCNEPDY-NRFANRHFSA-N 451.575 1.844 30 10 JDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)Oc3cccnc3NC(=O)N=c3nn[nH][nH]3)cc21 1858861122 MJTCVTKTURAWMB-GFCCVEGCSA-N 464.442 1.222 30 10 JDEE CCOc1cc(N2CCOCC2)c(OCC)c2c(=O)c(C(=O)N(CCC#N)[C@H](C)C(=O)O)c[nH]c12 1866450014 RFZLDRNYTSVNCC-OAHLLOKOSA-N 486.525 1.991 30 10 JDEE C=CCn1cc(OCC(=O)NCc2ccccc2)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1870818044 KZEKTXFAPHOQQB-UHFFFAOYSA-N 482.562 1.989 30 10 JDEE C=CCN(CC=C)c1nc(=NCCNC(C)=O)nc(Nc2ccc(N3CCN(C)CC3)cc2)[nH]1 1871657241 JNNKTYLSWNNUFI-UHFFFAOYSA-N 465.606 1.515 30 10 JDEE CC(C)C[C@@H](C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1)N1C(=O)c2ccccc2C1=O 1890368676 YUISPHHCVQMXNZ-VWLOTQADSA-N 494.636 1.956 30 10 JDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2255625402 QQVCSRDJFZHPDI-STQMWFEESA-N 453.370 1.461 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H](CO)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2255743481 GSABJQRVHFYGFN-NSHDSACASA-N 496.844 1.865 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC(C)(C)COCc1ccccc1 2255933108 LAPQDXHFPWIGTE-UHFFFAOYSA-N 450.370 1.388 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255953256 GGGZRFBBJWHRIS-KGLIPLIRSA-N 474.410 1.618 30 10 JDEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H](O)CNC(=O)OC(C)(C)C 2256612075 BRYCILZMQATCSE-TZMCWYRMSA-N 455.386 1.847 30 10 JDEE CC(C)(C)OC(=O)N1CCOCC[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2257533719 OHYGNHFOURZIJG-LBPRGKRZSA-N 454.358 1.224 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H](NC(=O)OCc3ccccc3)C2)n1 2264013094 XETRDJNHMGBOJN-KRWDZBQOSA-N 469.351 1.645 30 10 JDEE Cc1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)oc1B1OC(C)(C)C(C)(C)O1 2267130502 OVRYKQZHFJMAOP-LSDHHAIUSA-N 450.341 1.987 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)[C@H](O)C1 2267146200 JCCLZHKHSOXDLY-LSDHHAIUSA-N 467.759 1.744 30 10 JDEE Cn1nc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267183754 PRGPGQPTDHURST-NEPJUHHUSA-N 470.763 1.083 30 10 JDEE CC(C)(C)OC(=O)NCCOCCNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267366623 IQVCXNMZHYISTC-UHFFFAOYSA-N 471.385 1.200 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)n1 2267547718 ARBDMFQPHLYJRZ-SFHVURJKSA-N 483.378 1.893 30 10 JDEE CC1(C)OB(c2n[nH]cc2C(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)OC1(C)C 2281931244 SLHPDTTUSSHVMY-WOJBJXKFSA-N 452.364 1.824 30 10 JDEE Cn1nc(C(=O)NC[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)cc1B1OC(C)(C)C(C)(C)O1 2281975501 NRBZVXXIOIPITC-JOCHJYFZSA-N 464.372 1.475 30 10 JDEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282023728 QYEORVXMEMUXOE-BZUAXINKSA-N 462.356 1.576 30 10 JDEE Cn1[nH]c(CCNC(=O)OC(C)(C)C)nc1=NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2282192763 BQEQZNVWUJHICM-UHFFFAOYSA-N 461.328 1.449 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 2282306143 JIUQZCHTGGQYOI-CQSZACIVSA-N 485.416 1.182 30 10 JDEE C[C@@H](O)CN(CCNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2282349121 UWQOFWQSRNYEFY-MRXNPFEDSA-N 484.424 1.882 30 10 JDEE Cc1c(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282599082 NTIRHPTYNHMLDJ-YPMHNXCESA-N 458.290 1.699 30 10 JDEE COC[C@@]1(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN(C(=O)OC(C)(C)C)C1 2282623247 DAEYKFUXAUXCCJ-JOCHJYFZSA-N 462.356 1.532 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2282691767 OJMKYIDOUIZOLV-CRAIPNDOSA-N 463.384 1.765 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282709900 GQZFHXRSDNEBHN-MRXNPFEDSA-N 461.368 1.994 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2282853760 INBZZTAWASYPQW-LSDHHAIUSA-N 484.428 1.691 30 10 JDEE CCCc1ccc2nc(Cl)c(S(=O)(=O)/N=C(\O)Nc3nc(OC)cc(OC)n3)n2n1 35067205 PYCINWWWERDNKE-UHFFFAOYSA-N 455.884 1.857 30 10 JDEE in-vitro C=CCOC(=O)[C@@H]1O[C@@H](OC(=O)C(C)(C)CCCOc2cc(C)ccc2C)[C@@H](O)[C@@H](O)[C@@H]1O 65742748 SQWCELLFUXRDOB-UERWRGBPSA-N 466.527 1.569 30 10 JDEE in-vitro CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2cccc(OC)c2)[C@H](C#N)C(=O)N3)CC1 72444653 ZETCKKDJSGGVNQ-DLBZAZTESA-N 451.483 1.782 30 10 JDEE C/C(=N\Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(C)cc1)c1ccc(O)cc1 106925595 MLCYGLNOANUNRR-UBXTYJAUSA-N 478.509 1.713 30 10 JDEE C[C@@H](OCCn1cnc(I)c1I)/C(N)=N/O 304435259 RUKZXOANDBCNPK-RXMQYKEDSA-N 450.018 1.244 30 10 JDEE CS(=O)(=O)Cc1ccc(C(=O)OCCN2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1 586395168 LVBIEUOKKHVVSA-UHFFFAOYSA-N 455.536 1.718 30 10 JDEE COc1cccc([C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)N(C)C)c1 616172799 SZUSTWRRFITNIE-OAQYLSRUSA-N 471.583 1.886 30 10 JDEE C#CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)[C@H]1CCS(=O)(=O)C1 729330665 HHGMEFQMHRARKB-INIZCTEOSA-N 458.989 1.777 30 10 JDEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCNC(=O)[C@H]1CC(=O)O 757379025 XCZIDRJYLYWTDM-FGZHOGPDSA-N 475.501 1.719 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C)cc1 858005147 BQOMPNKETBFMRV-HNNXBMFYSA-N 458.492 1.877 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)CC1 1215321378 PIHDUQWFGDFTCL-UHFFFAOYSA-N 456.450 1.508 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)C2CC2)c1 1286311636 OYSLCJAHYBRMFQ-GAJHUEQPSA-N 471.583 1.397 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCN2CCOCC2(C)C)c1 1286312214 VISSVDKTPVJJDU-FQEVSTJZSA-N 466.586 1.949 30 10 JDEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC)[C@@H]1CCS(=O)(=O)C1 1286389531 LQRBWGPZADFJBV-MRXNPFEDSA-N 454.556 1.712 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1286391807 DTNKRYMZLDITBW-AOMKIAJQSA-N 480.537 1.579 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1286396548 QMCDIHGAFUKAMG-MRXNPFEDSA-N 484.575 1.058 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(OC)CCCC2)CC1 1286495372 ZNRGRCIREDINQE-GOSISDBHSA-N 463.604 1.105 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1286602220 VQVGXCFVABAETG-FQEVSTJZSA-N 468.606 1.734 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCCC[C@H]2C1 1286672694 PWDVRHXKWTYINL-OALUTQOASA-N 466.652 1.888 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c(C2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C 1286752057 WMNGHXBAWWGLTI-RTWAWAEBSA-N 469.634 1.781 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)OC)CC1 1286783723 KAWHDTDJWDGBEJ-UHFFFAOYSA-N 458.519 1.543 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286815636 CFHNTYLYQFIMPN-UHFFFAOYSA-N 494.021 1.932 30 10 JDEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1287775482 AVXMFICOTKZRJX-FQEVSTJZSA-N 472.615 1.941 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 1293815394 LYIXZHGWZBTKJU-UHFFFAOYSA-N 458.496 1.657 30 10 JDEE COc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1300150753 HWUIOADMCLWMCG-REWPJTCUSA-N 488.614 1.992 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)N1CCSCC1 1300284640 UDNCKZDYGUVMSF-HNNXBMFYSA-N 464.573 1.690 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1csc(C)c1)[C@@H]1CCS(=O)(=O)C1 1300479550 OXCQCNBWBVHOMM-QGZVFWFLSA-N 470.580 1.970 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1300482201 DPRMWOQTTAYWSH-SIKLNZKXSA-N 477.562 1.528 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1300499837 YBDUKEWXEDPKCF-SFHVURJKSA-N 470.530 1.504 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOCCS(C)(=O)=O)CC1 1300710515 DOWXZNRTHJNWFP-RTBURBONSA-N 467.636 1.013 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(C)CN(C)C2=O)CC1 1300718165 DETBEIVDAGTXBH-QHCPKHFHSA-N 465.514 1.297 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC(=O)NCC(F)F)CC1 1300719157 QBEFSMMKZLQZBD-UHFFFAOYSA-N 464.904 1.946 30 10 JDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCOC)C(=O)C1 1300863394 NPRQKDVJBRXDJD-HOCLYGCPSA-N 458.357 1.206 30 10 JDEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1300946160 NATXIQKJDYLNAA-UHFFFAOYSA-N 471.587 1.894 30 10 JDEE C=C(Cl)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1301030566 OXMMCLCJQMKQQH-UHFFFAOYSA-N 474.949 1.214 30 10 JDEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1301111749 CNTHOGXSXIGICH-SFHVURJKSA-N 472.571 1.739 30 10 JDEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCO[C@@H]1C 1301417035 MRZKCXHQQWZRFT-IERDGZPVSA-N 450.561 1.527 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@]2(O)CCOC2)C1 1301543442 LUPJMAQPXJLVMR-KXBFYZLASA-N 452.353 1.979 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1301576966 JIIFOKPZKDWCGM-UHFFFAOYSA-N 495.671 1.969 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1301586987 QJHZPWDENYBGBP-INIZCTEOSA-N 456.572 1.618 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1301592628 AWSXTIWMOGPHMP-CQSZACIVSA-N 498.403 1.532 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1301596318 LGJJAVAQJXEKFB-UXHICEINSA-N 488.614 1.079 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CCCOC1 1305785071 GWANTYKAAGKPJJ-MSOLQXFVSA-N 481.605 2.000 30 10 JDEE N#Cc1ccc(OCc2cccc(C(=O)N3CCN([C@H]4CS(=O)(=O)C[C@@H]4O)CC3)c2)cc1 1306450615 CGVKJIGHRBQPLW-VXKWHMMOSA-N 455.536 1.053 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C2CC2)n1CC1(O)CCS(=O)(=O)CC1 1316085679 CUWUSPGINWAWPL-UHFFFAOYSA-N 459.572 1.620 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)NCCC)c1 1358889788 GTKPBNCVDGXRJO-XLIONFOSSA-N 488.614 1.257 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1358960815 MKVPREWFZMSGGM-QGZVFWFLSA-N 470.530 1.752 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358965903 DJEPMKFSLCCUEQ-SFTDATJTSA-N 487.626 1.513 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](C)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1358966195 JQMWWJRKRMACQN-QZTJIDSGSA-N 489.573 1.634 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1c(C)nn(C)c1C 1359091900 UKDHKLPAYUCAMN-WDYCEAGBSA-N 465.624 1.856 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1359189130 BSHQXUCLNLOFNC-MSOLQXFVSA-N 480.635 1.414 30 10 JDEE C=CCn1c(Cc2ccncc2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1359288525 JTJBPIQTDHWDIL-KURKYZTESA-N 474.587 1.576 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359299771 NEFMHYMKYLKFFI-DLBZAZTESA-N 496.634 1.318 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CCN2CCOCC2)cc1 1359306555 KLNUOJNZVHHVEX-UHFFFAOYSA-N 454.575 1.896 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1359310624 AZKSEUPAUSAORG-DLBZAZTESA-N 472.512 1.559 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cnnn2C)C1 1359315001 MMPYQGOWNYTNQV-SFHVURJKSA-N 472.575 1.154 30 10 JDEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)CC2)CC1 1359401727 AXTBOTBDBRPHEU-UHFFFAOYSA-N 494.644 1.671 30 10 JDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)Cc3cccc(OCC#N)c3)CC2)c1 1440642506 AVMQWGIZCCLZHI-UHFFFAOYSA-N 459.524 1.682 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCCO2)n1CCCC(=O)N(C)C 1494135551 FCBIGFILYPZDAK-IEBWSBKVSA-N 467.578 1.765 30 10 JDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1504853609 HNJPZVZLJPFHDT-UHFFFAOYSA-N 480.617 1.139 30 10 JDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1507572709 VCHGJYDTDLLHHC-UHFFFAOYSA-N 458.588 1.731 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCC(C)CC2)nc1 1507616573 KYFOQGAAWWYRCT-FQEVSTJZSA-N 487.630 1.360 30 10 JDEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1507627993 MAFPWDGGIMWEKD-IAGOWNOFSA-N 492.399 1.613 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1507630182 ZRRKPWLBQARAIL-NZSAHSFTSA-N 490.582 1.129 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1507632327 ZDLDJEFCGRUNBC-QGZVFWFLSA-N 468.539 1.427 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC[C@H]1COCCO1 1507652276 GMVHSUAZIBCPEZ-IBGZPJMESA-N 460.538 1.943 30 10 JDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCN(C(C)=O)C1 1507710316 NKWGDGFDOFJOMW-IBGZPJMESA-N 487.630 1.583 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCS(=O)(=O)C1 1507713875 ZQSKQYKAKWECGN-GOSISDBHSA-N 456.572 1.427 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507798333 HDONROJDDCCJQM-FPOVZHCZSA-N 481.601 1.803 30 10 JDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507957730 UJNPLZNHCODENI-UHFFFAOYSA-N 483.573 1.593 30 10 JDEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1 1507958123 ZXACZZFSONDYNI-UHFFFAOYSA-N 467.979 1.689 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1508095340 WLKCDMNGZVRMQT-GOSISDBHSA-N 472.565 1.988 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1508135265 GVSKWJYRUNLQHN-NRFANRHFSA-N 479.990 1.924 30 10 JDEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC2)CC1 1516014896 DCLKCWONAKYPOG-UHFFFAOYSA-N 452.563 1.676 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(C)(C)C)cs1 1539014955 NEWYGBROXDLXKD-LSDHHAIUSA-N 466.633 1.871 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CCS(=O)(=O)N(C)C)c1 1539045422 FFJPJKGHBUDQRA-UHFFFAOYSA-N 486.623 1.878 30 10 JDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1539172262 XDNZSQXKHJCENW-QGZVFWFLSA-N 463.542 1.239 30 10 JDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 1539378763 AUHILKQEGWMVCJ-FCHUYYIVSA-N 457.550 1.248 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc2n1CCCCC2 1539399197 GCGLBFFXFQMDCY-UHFFFAOYSA-N 483.598 1.801 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2ccccc2)N(C)C)CC1 1539428292 OXXACZSSRYBPRY-NRFANRHFSA-N 458.570 1.984 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(OCC(C)C)c2)CC1 1539429988 GIWPHAPJZHHHFT-LJQANCHMSA-N 474.631 1.727 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@H]2CCCCO2)CC1 1539488555 AVTIUEXMQZDUTK-HBMCJLEFSA-N 459.591 1.927 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)NCC)CC1 1539635102 FPSDWODNJMXHRZ-NFBKMPQASA-N 453.591 1.503 30 10 JDEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1539744327 IUEBNSVYKPQNRP-QGZVFWFLSA-N 486.598 1.891 30 10 JDEE Cn1ncc2c(N3CCN(C(=O)COc4ccc(C#N)c(Br)c4)CC3)ncnc21 1540593030 FZGFGBVKDDDCHU-UHFFFAOYSA-N 456.304 1.725 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1540874374 DTKUVCLFJGWMPZ-SBUREZEXSA-N 470.578 1.545 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1 1540978779 CEMXQKDHMJUANB-WDWGUKLMSA-N 453.503 1.430 30 10 JDEE CC(C)(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1541232120 AWPVJNFNDMDIFG-KRWDZBQOSA-N 486.602 1.036 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C(=O)OC)cc3OCC(=O)NC)cc2C1=O 1544087518 SGSLHSCPMRRZES-UHFFFAOYSA-N 451.435 1.632 30 10 JDEE COc1ccc(OC)c(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)c1 1554962124 BQPQLDHELRZNOJ-YJBOKZPZSA-N 478.575 1.267 30 10 JDEE C#CCC1(O)CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc4nnn(O)c4c3)c2)CC1 1559027657 ITBZJLIFFVLHBC-UHFFFAOYSA-N 455.496 1.460 30 10 JDEE Cc1nsc(N2CCN(S(=O)(=O)c3cccc(S(=O)(=O)N(C)C)c3)CC2)c1C#N 1561614367 FBTKKHXDLUUWJE-UHFFFAOYSA-N 455.587 1.084 30 10 JDEE CCN(CC)S(=O)(=O)N1CCN(C(=O)COc2cccc(Br)c2C#N)CC1 1587444504 HJVLBOOURQUODF-UHFFFAOYSA-N 459.366 1.430 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588034579 ITWIRJGDEWXGDD-OAHLLOKOSA-N 497.419 1.151 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1588050321 RGQFTBNCJDWDQV-QGZVFWFLSA-N 456.503 1.558 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1588069619 RHGRQZRMCIJTSX-ROUUACIJSA-N 480.685 1.615 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OCC1CC1 1588140570 YQSZZAJNPCBMQN-QHCPKHFHSA-N 497.621 1.829 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1CCN(C(C)=O)CC1 1588158488 CZWGLZHYIODNMS-UHFFFAOYSA-N 487.652 1.974 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCCOC)C1 1589406559 XRTZEWYOBMJGFH-GJZGRUSLSA-N 463.398 1.721 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1589708881 YNVSPQRUPRAXFJ-INIZCTEOSA-N 464.596 1.370 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1594813382 RQQPXWRAAZUPIT-RBUKOAKNSA-N 483.635 1.335 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)NC 1595134196 VBGQRMZBOBUHQE-INIZCTEOSA-N 471.580 1.061 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1595555580 CYINHLTWTITBJZ-UHFFFAOYSA-N 474.569 1.300 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(O)(c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1595602937 VACDMRAVDKSLCR-XMMPIXPASA-N 455.559 1.720 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1595608304 QLDOZGALOYROMU-FPOVZHCZSA-N 474.606 1.676 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)s1 1597805794 DPKOLBAQJZXNKZ-IBGZPJMESA-N 459.590 1.243 30 10 JDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)CC1 1617356002 CUNKGNUZUVPVHN-OAQYLSRUSA-N 476.628 1.593 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCS(=O)(=O)c2ccccc2)C1 1620347871 FQEXVCHQMVZPOF-NRFANRHFSA-N 460.535 1.706 30 10 JDEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CO)C(N)=O 1623847574 LSXVPCSIDPXANW-PMACEKPBSA-N 457.914 1.999 30 10 JDEE N#Cc1cn(CCC(=O)N2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)c(=O)nc1O 1629536763 BTAQHNKHNKCBTN-UHFFFAOYSA-N 455.906 1.246 30 10 JDEE C#CC[C@H](NC(=O)[C@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1)C(=O)OC 1638826344 JVBISHIXSLHANY-UAGQMJEPSA-N 456.358 1.724 30 10 JDEE COc1ccc([C@H](CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)N2CCOCC2)cc1 1649387593 CQONDLAVOGPVQC-NRFANRHFSA-N 458.540 1.035 30 10 JDEE COC(=O)c1cn([C@@H]2CCCN(S(=O)(=O)c3cccc(Br)c3C#N)C2)nn1 1661272651 AHYYDAKPLUTKHX-LLVKDONJSA-N 454.306 1.725 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC(F)(F)CO2)c1 1689868632 MNUPRVFAJWXURY-YOEHRIQHSA-N 496.540 1.369 30 10 JDEE C#CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)C)[C@H]1CCS(=O)(=O)C1 1689982553 PZHSFBJDMMYBFN-KRWDZBQOSA-N 478.644 1.829 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1689984285 MQUBECZJKXDLSA-GOSISDBHSA-N 472.567 1.936 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCOCC(F)(F)C(F)F)[C@@H]1CCS(=O)(=O)C1 1689985887 DRHCGPNIOMBVDV-CQSZACIVSA-N 475.468 1.884 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1689997084 VPFPQIBYUZLWMT-QGZVFWFLSA-N 453.634 1.416 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1689997118 WDCAGZCMSJEVQV-VWPQPMDRSA-N 499.593 1.407 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1690091341 PVBZFYWMCUONGY-NRFANRHFSA-N 498.540 1.903 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1690100030 VCMMIAWULFBRBX-HOJAQTOUSA-N 485.589 1.789 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1690101296 WIJKZUAYKKMJSA-VWLOTQADSA-N 480.569 1.957 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCc2nnc3n2CCCCC3)CC1 1690111891 LOZUFNRVZDPFHL-IBGZPJMESA-N 456.595 1.318 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCNC(=O)c2ccco2)CC1 1690137743 HVAXUHWGDPZECU-VWLOTQADSA-N 498.584 1.308 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCc2cccc(C)n2)CC1 1690152683 URGDOYLLRVGPGV-UHFFFAOYSA-N 463.586 1.703 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1690644281 BPJQIPWFSWLLRE-ROUUACIJSA-N 498.650 1.880 30 10 JDEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1690651336 MEVJHBDORNHSNB-UHFFFAOYSA-N 474.543 1.692 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCOCC2(CC2)C1 1690662146 SKGRTKDZKWSKTJ-UHFFFAOYSA-N 457.531 1.890 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@@H]([C@H]3CCCO3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690678385 UVPJXKNVUGGSAF-FCGDIQPGSA-N 490.605 1.735 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1690724133 INAQZEXOLQOUFR-GOSISDBHSA-N 458.544 1.655 30 10 JDEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1698295091 HHYVJUYAAFKDEK-HXUWFJFHSA-N 486.598 1.658 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCSC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705568417 NEVCJAHIZNBWFG-CYBMUJFWSA-N 465.523 1.280 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC(C)C 1705583330 VQRQEUVYHMYOCI-SFHVURJKSA-N 458.563 1.574 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1705737382 PSSKRKRZLHTMHC-LJQANCHMSA-N 475.619 1.506 30 10 JDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705799776 GJKJZLJNJGQTEK-ZJOUEHCJSA-N 495.694 1.624 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705899542 WUTMVYXEUGTKRD-UTKZUKDTSA-N 469.565 1.375 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1705905481 XBGFRBRXCPHLJN-UHFFFAOYSA-N 480.504 1.940 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(N2CCCCC2=O)CC1 1705932319 RYPGBCRWHDEXJK-UHFFFAOYSA-N 459.576 1.317 30 10 JDEE 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C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1286409478 MKDKUDSQUYRBKA-GOTSBHOMSA-N 481.622 1.544 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)OCCO2 1286430615 IOBIQYRUGCNKDI-IBGZPJMESA-N 454.552 1.657 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(OC)CCOC2)CC1 1286488821 VEKJXTBPNSWQNQ-RUZDIDTESA-N 483.569 1.734 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC2CCOCC2)CC1 1286494266 LGCHZDXWMFPULH-SFTDATJTSA-N 459.591 1.785 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1286569448 QBDXAUXHYWODDH-KRWDZBQOSA-N 450.507 1.311 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnn(C)c2)CC1 1286668424 RMSGLSKLGONYPH-INIZCTEOSA-N 450.613 1.551 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1286744288 GRROIDZYQIYDHV-QHCPKHFHSA-N 470.599 1.882 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1286770528 OBSUPOWTYFGZKI-HNNXBMFYSA-N 455.606 1.641 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1286778981 GBIZNUBSBHKAGK-DLBZAZTESA-N 456.547 1.786 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1286823244 SCMDDIBKIBWCOE-HSZRJFAPSA-N 476.599 1.668 30 10 JDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286835222 TWQCJCRXSROOHJ-FPOVZHCZSA-N 489.690 1.699 30 10 JDEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)c1=O 1295938382 CHGDCFWSVDUJMD-IBGZPJMESA-N 452.540 1.670 30 10 JDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1300402733 BEWLWUAYIHHNFC-JKSUJKDBSA-N 466.633 1.909 30 10 JDEE C#CCN(c1nnc(C)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300483197 ISGNYNVXOOGNLC-BPQIPLTHSA-N 451.593 1.859 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1300488047 AGNHESJENQVQAN-CQSZACIVSA-N 463.926 1.541 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1300488272 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C=CCS(=O)(=O)CCn1c(N2CCN(C3CCCCC3)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1359335302 HQGSUVWAVWZUCR-QHCPKHFHSA-N 495.646 1.512 30 10 JDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 1449538835 GSTJQSULHHKUTD-YVEFUNNKSA-N 457.430 1.973 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCOC(C)C 1497055312 BZQHDWWIOTVTFH-KRWDZBQOSA-N 469.594 1.998 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1507564837 XQYGNHWHDWGCFY-KRWDZBQOSA-N 471.649 1.234 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1F 1507617724 ZAANMALRGVEHTK-QAPCUYQASA-N 451.524 1.287 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCCn1cnnn1)[C@H]1CCS(=O)(=O)C1 1507624422 ABMXEWNKFCBRNT-VQTJNVASSA-N 468.587 1.524 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507633022 CHMRVWOBPNZKGR-OAQYLSRUSA-N 471.627 1.966 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507635002 OWPIZTCSHQHNEZ-APWZRJJASA-N 462.645 1.745 30 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1.825 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1507868723 NXJOOJYSPXSYNR-YLJYHZDGSA-N 485.969 1.601 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Br 1508038328 IMPIHUWGICQZAL-CQSZACIVSA-N 464.386 1.158 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1508072101 HOUVHJLVPUWIBC-UHFFFAOYSA-N 456.547 1.569 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)CN2CCN(CC)CC2)C1 1508107637 DLVVEODLLKMIMO-LEWJYISDSA-N 459.639 1.569 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1508146402 WZKBQNGDFNOQAC-IRXDYDNUSA-N 469.608 1.828 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(CS(C)(=O)=O)cc1 1508420878 AVRXIGSCNWCVKB-QAPCUYQASA-N 465.601 1.369 30 10 JDEE CCOC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1516040499 BRMXKGUHMZYWKM-RUZDIDTESA-N 497.600 1.852 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](COC)C1 1516824064 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CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1547319751 AOMZACPIXNGPCI-UHFFFAOYSA-N 465.558 1.798 30 10 JDEE C#C[C@H](CO)NC(=O)Cc1cc(I)cc(I)c1 1556796282 TZLUIAAZSSDFKT-LLVKDONJSA-N 455.033 1.549 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)Cc1ccccc1 1587638378 DISQHZGUQJIRRY-MJGOQNOKSA-N 464.613 1.643 30 10 JDEE C#CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC=C)[C@H]1CCS(=O)(=O)C1 1588034870 MUCFKDXRQOBHKB-INIZCTEOSA-N 462.601 1.359 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588044908 CPCKWTWAWBXFMC-HSALFYBXSA-N 488.658 1.798 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1588051034 ZPPNWLQGQNZGMD-PMACEKPBSA-N 459.620 1.570 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(COC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1588070405 ZZWIMSZPEKWDOL-IBGZPJMESA-N 477.631 1.624 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(Cc2ccccc2)c1 1588228723 KVCUNBMIYHZMHF-QFIPXVFZSA-N 462.579 1.936 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1588250798 ILFIKFLNTWNAPS-UHFFFAOYSA-N 459.554 1.356 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2c(s1)C[C@H](C)CC2 1588574566 MCDVJDLQGQVMKT-HUUCEWRRSA-N 466.633 1.604 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1589404010 FMKWZJDDRFJCAU-GJZGRUSLSA-N 474.425 1.831 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1595405135 DIFPCSUGYQZBTR-HNNXBMFYSA-N 489.524 1.854 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(C)C)CC1 1595536907 IPDMJBIRVUOTGA-UHFFFAOYSA-N 450.547 1.025 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC1CCOCC1 1595789661 ZFVCWPDPIAJBPC-UHFFFAOYSA-N 486.598 1.656 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1595805238 MDNUEKQZDDOZNM-UHFFFAOYSA-N 460.608 1.318 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1595838430 SDUDTDLHOCGVKW-UHFFFAOYSA-N 470.665 1.684 30 10 JDEE CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1617324834 AWYCKYDYTFJVPS-INIZCTEOSA-N 460.608 1.678 30 10 JDEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCC2)CC1 1620171646 HEORWPJJUZBNFD-UHFFFAOYSA-N 457.604 1.821 30 10 JDEE CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n(C)c1 1632527198 ATOHOXAYUQDXPE-GDBMZVCRSA-N 453.565 1.544 30 10 JDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(OC)c(C(N)=O)c1 1664194738 VXIKHTUYQNCEGP-UHFFFAOYSA-N 451.545 1.818 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCOC[C@@H]2C)c1 1689872386 XKFHPKADMSPOCO-DFQSSKMNSA-N 485.610 1.909 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1689892398 DQGQKXRBNKBJAG-VQTJNVASSA-N 494.662 1.403 30 10 JDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1689908087 WIOLCAZXHCTJLM-UHFFFAOYSA-N 452.563 1.751 30 10 JDEE C#CCN(c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=C)C)[C@H]1CCS(=O)(=O)C1 1689993838 MJUQZOKXTZZFAG-QHCPKHFHSA-N 482.654 1.846 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1689994186 SSXMTHHOLGZEGX-GCJKJVERSA-N 471.608 1.860 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCSC2)CC1 1690135251 SRVIOQYOWFGIRL-IXFSTUDKSA-N 476.647 1.672 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCOCC2)CCCCC1 1690190138 MHSUATDEGCOYBB-SIKLNZKXSA-N 478.663 1.916 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690263036 XTOHQDUKZADMFD-QGZVFWFLSA-N 485.614 1.876 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1690346584 XPALWKIGKSBHSQ-AWEZNQCLSA-N 463.947 1.665 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1690669472 GGROGFQRZMGDTH-IRXDYDNUSA-N 470.509 1.071 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1690675327 XECGFGACLRPAFR-UHFFFAOYSA-N 479.585 1.444 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC2(CC1)COC(=O)N2 1690676441 ZUVBOEABQPSJJT-UHFFFAOYSA-N 454.531 1.855 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)C(=O)NC)C1 1690687427 BDLBGZLJEAUBBN-KRWDZBQOSA-N 461.588 1.902 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1690733922 QRNROCZNDZWNPT-RHSMWYFYSA-N 468.653 1.857 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1690786931 PXKPXYWBSSBENW-QQMHEVNUSA-N 452.519 1.104 30 10 JDEE Cc1cccc(OCc2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCNS(C)(=O)=O)c1 1693225488 GTFWHTHFMJNPAM-UHFFFAOYSA-N 496.597 1.308 30 10 JDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1698306239 BKCPWTIAUJZIJY-KRWDZBQOSA-N 451.574 1.265 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1705562518 DSRACERFXQGPFA-OAQYLSRUSA-N 450.568 1.705 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705564199 MLMBHGBORCQYJE-KKIUXKEOSA-N 473.624 1.991 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1705567597 XMWHWFWUDSGFPW-QZTJIDSGSA-N 480.587 1.303 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN/C(O)=C1/N=CC=CC1=O 1705575338 HNCCGYUSZQYEAI-GYHWCHFESA-N 466.505 1.934 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@]2(N3CCOCC3)CCSC2)CC1 1705644384 OZFAOWMHJVSFAT-HSZRJFAPSA-N 460.648 1.575 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC(=O)NCC(F)(F)F)CC1 1705650063 KIIOLWJFLUSDFD-UHFFFAOYSA-N 492.502 1.544 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1705654036 WCXDOGRMYZUSAU-OAHLLOKOSA-N 472.637 1.312 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)C[C@H]2C(=O)NCC1CC1 1705721097 LIBYNOXQBPSNRW-WBVHZDCISA-N 450.609 1.597 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1705725453 BQBHCPIUPPRUBQ-HZSPNIEDSA-N 453.487 1.343 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C(=O)NC)c1)C1CC1 1705853876 GNUVJLXOXMNDPU-FQEVSTJZSA-N 488.614 1.368 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 1705884748 XJSHVTOCCSCVLC-QGZVFWFLSA-N 469.608 1.686 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](COC(C)C)C1 1705901145 BVIPJJIOTIYWLA-MRXNPFEDSA-N 467.530 1.526 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1705926129 YRFKTAKSHZMLLC-VQTJNVASSA-N 468.558 1.217 30 10 JDEE COCC[C@@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1712321424 CDJLTPQPLRZAKG-HSZRJFAPSA-N 450.547 1.664 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCCS2(=O)=O)c1 1722307675 UAJMLNJERASNKU-FQEVSTJZSA-N 498.609 1.424 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)C(=O)NC)c1 1722309859 QMJHKDZBVIFXDD-QGZVFWFLSA-N 451.531 1.058 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722365773 PIIPVPOSNDWLQR-RTBURBONSA-N 473.599 1.750 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1722368793 WDGWURGKZWSIDX-IRXDYDNUSA-N 456.634 1.489 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1722370319 BINNMNGCPVOCCK-WMZHIEFXSA-N 474.583 1.332 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(C)(C)CCOC)CC1 1722442780 BYPFYJYAOFFRAW-UHFFFAOYSA-N 491.600 1.949 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@]2(C)COCCO2)CC1 1722445640 UJHZOOXDTNPZDL-XMMPIXPASA-N 453.543 1.725 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cscn2)CC1 1722493474 YUBGLBXVHVXGHY-LMMKCTJWSA-N 495.675 1.648 30 10 JDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722612420 RROGOIQRKLAIMO-UHFFFAOYSA-N 457.564 1.405 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1722724966 JUYWCTHUJIPVSS-KRWDZBQOSA-N 496.634 1.608 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC(CNC(C)=O)CC1 1722749625 HMQVGSJKZODXDO-UHFFFAOYSA-N 461.588 1.907 30 10 JDEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1728192293 AMRZOXGLYGJBQK-UHFFFAOYSA-N 494.600 1.983 30 10 JDEE CCN1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(=O)OC)C2)CC1 1728604634 BSQNMMJBLJKZMQ-FPOVZHCZSA-N 481.601 1.754 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCCSC2)C1 1731012327 GEQKDIIYRTXZOY-ZWKOTPCHSA-N 468.649 1.884 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC2(S(C)(=O)=O)CC2)c1 1740561853 JNWUSRWTSXMNNH-UHFFFAOYSA-N 466.567 1.917 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(CC)cc1)[C@@H]1CCS(=O)(=O)C1 1740616822 HRFWQDZAZRCAKZ-FXAWDEMLSA-N 493.655 1.320 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(C[S@@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1740623585 XEPCYHXAOSYUGA-AYLZSAKASA-N 484.607 1.289 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1740625658 HGGMHJIBIXXXKR-CTNGQTDRSA-N 471.583 1.806 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1c(F)cccc1F)N(C)C 1740630167 GGGDSVVLZNUPSH-YJBOKZPZSA-N 464.542 1.542 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCc2ccccc2C1 1740672007 UOERYJZGNUHQDQ-OAQYLSRUSA-N 472.615 1.129 30 10 JDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1740697612 ABJRUDCPVXHIQL-UHFFFAOYSA-N 482.610 1.817 30 10 JDEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740716516 SWBPBYXQCNDBQX-LJQANCHMSA-N 452.540 1.918 30 10 JDEE C=C(C)Cn1c(N2CCN(CC(=O)Nc3cc(C)on3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740785860 GTHGNSSVRWEVHR-QHCPKHFHSA-N 473.578 1.952 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCNC(=O)c2ccccc2F)CC1 1740825609 PVVSMVZBHARDPU-IBGZPJMESA-N 492.577 1.337 30 10 JDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1740869982 GEKYNTCCLXEKOE-SFHVURJKSA-N 458.588 1.973 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1740966505 ZGCVISYAUSHEGQ-KOSHJBKYSA-N 476.622 1.611 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCOCC2)C1 1740982965 ZBSLGWFBIUVXJW-OALUTQOASA-N 453.609 1.074 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(C)c2)CC1 1740990831 GNBSEFMXFDZZMA-IBGZPJMESA-N 458.588 1.465 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccc(F)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1741021137 PTXWOIDGRYWVJI-SMIQVMJNSA-N 495.559 1.839 30 10 JDEE CC(C)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1741627922 DDSQEFYBEMOOKW-QHCPKHFHSA-N 488.614 1.199 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)Cc1ccccc1 1748672289 RNYXXFMPDLHRDZ-AZUAARDMSA-N 460.604 1.201 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(Cn2ccnc2)c1)[C@H]1CCS(=O)(=O)C1 1748803410 YLUNIYAVYWSRIL-NRFANRHFSA-N 495.609 1.336 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1748810447 WHOKMRIBLZNLKD-QUCCMNQESA-N 487.626 1.931 30 10 JDEE C#CCN(c1nnc(COCC)n1CCOc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1748824151 JYYSOVGTPTYNPF-HNNXBMFYSA-N 454.499 1.799 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1748843075 ZOVQHMGXCMKRKD-UHFFFAOYSA-N 464.551 1.232 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCN(C(C)=O)CC1 1748965755 VUAANUBRMJKPQP-QFIPXVFZSA-N 468.558 1.041 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cccc(Br)n2)CC1 1749019538 YMVUHIHFHXQFRP-UHFFFAOYSA-N 461.364 1.986 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCCOC2)C1 1749403048 VNCPYMMDKQJESS-RXVVDRJESA-N 453.609 1.974 30 10 JDEE C=CCCCn1c(COCC)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1749438228 SISOEHICCPJVRQ-IXDOHACOSA-N 469.608 1.907 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@](C)=O)CCC1 1749575517 SIOOROSOHIOQRY-BCOMRZATSA-N 457.622 1.091 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2nccc(OCC)n2)CC1 1749663500 IADIVSUTGYWCIE-UHFFFAOYSA-N 451.535 1.101 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)OC)C1 1749668838 FPTHTMKQMWTFMX-SJORKVTESA-N 492.577 1.278 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](c3ccnn3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1749682224 PPGBUSLUJGJRTI-MBSDFSHPSA-N 457.579 1.738 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1749721537 NAXMWTJAOMHTEB-QGZVFWFLSA-N 496.634 1.561 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749725683 UNRUVNZUFXHRQM-RBUKOAKNSA-N 488.614 1.850 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc(C)c2)CC1 1749730875 UAWMWSSEAOKSOH-UHFFFAOYSA-N 455.588 1.914 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccnc(OCc2ccccc2)c1 1751230845 DPPMSEWMHWTFNH-PXNSSMCTSA-N 497.581 1.639 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCC(=O)NC1CC1 1760102727 PIAHVWYOODWVSX-INIZCTEOSA-N 458.588 1.712 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCNC2=O)CC1 1760131776 ZSDWSTVSKADPGM-MRXNPFEDSA-N 451.597 1.076 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1760138137 RVQIFDLCEFBZRP-FHWLQOOXSA-N 450.609 1.087 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1760180426 FGRZPKOCZIQBCC-QPPBQGQZSA-N 487.626 1.671 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CC[C@H](C(F)F)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760189392 OSKOTBDDYXLUMD-QZTJIDSGSA-N 496.584 1.266 30 10 JDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCN(CC)CC2)nc1 1760221550 AZQBNUFEBOCBJF-UHFFFAOYSA-N 474.613 1.449 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(=O)NCCc2ccccc2)CC1 1760272132 ZSZOXMMFARUNIZ-UHFFFAOYSA-N 485.592 1.589 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1760299676 DAXMZCDODBZAFB-CYBMUJFWSA-N 467.372 1.900 30 10 JDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1760352654 UVXWNTLXSFSFCD-UHFFFAOYSA-N 497.647 1.285 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1760358312 UGPHSPSWAWTTGA-RTBURBONSA-N 467.636 1.762 30 10 JDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1760431631 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1760558882 DJBXUJHZHAKIKO-LJQANCHMSA-N 477.562 1.832 30 10 JDEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1760662578 DEYRSJHRGMYPSO-IBGZPJMESA-N 456.572 1.604 30 10 JDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)C[C@]2(CCOC2)O1 1763176762 DACSVKFNKLJGCD-HXOBKFHXSA-N 454.531 1.591 30 10 JDEE CNC(=O)CCn1c(COc2ccccc2OC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1767817394 GFMXNXRHAYWTIB-UHFFFAOYSA-N 476.541 1.595 30 10 JDEE Cc1cc(S(=O)(=O)N(C)C[C@@H](O)CNS(=O)(=O)c2ccccc2C#N)ccc1Cl 1858029590 OITIHSHYGHOOKE-HNNXBMFYSA-N 457.961 1.480 30 10 JDEE CCN(CCO)Cc1cc(=O)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)cn1CCN(C)C 1870324278 CVHYWYCNWZOFPQ-UHFFFAOYSA-N 487.626 1.663 30 10 JDEE N#Cc1ccc(COc2cn(Cc3ccc(S(N)(=O)=O)cc3)c(CN3CC(O)C3)cc2=O)cc1 1870349286 HQZIBYBOFJUNCD-UHFFFAOYSA-N 480.546 1.171 30 10 JDEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CN1CCN(Cc2ccccc2)CC1 1870582103 RKIPTRDJZALGKI-UHFFFAOYSA-N 466.582 1.590 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4C)C3)CC2)CC1 1889479889 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CO[C@@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H](CNC(=O)OC(C)(C)C)C1 2281981121 FWNLPJMIPVMOSL-LSDHHAIUSA-N 464.372 1.853 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCCN(C(=O)OC(C)(C)C)C1CC1 2282337696 JAFJEORUUACIRB-UHFFFAOYSA-N 484.428 1.787 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)n1 2282498156 ZRFHVWKHVPERPZ-HUUCEWRRSA-N 482.412 1.111 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@@H](F)C[C@H]2CNC(=O)OC(C)(C)C)n1 2282506343 QWSYOFNCEVEXID-KBPBESRZSA-N 488.391 1.345 30 10 JDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)n1 2282557440 VOPIHXZHOGGSGR-JKSUJKDBSA-N 461.368 1.789 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCOCCNC(=O)OC(C)(C)C 2282588801 XDFFEJKUBORGEW-UHFFFAOYSA-N 466.388 1.689 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCOCCN(C)C(=O)OC(C)(C)C 2282588818 XDZAELXCSAOBCE-UHFFFAOYSA-N 466.388 1.641 30 10 JDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282846057 COUAJHJUCYVMGH-OAHLLOKOSA-N 484.428 1.739 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCCC[C@H](NC(=O)OC(C)(C)C)C1 2282860219 XIXMJTOKXDCZKN-HNNXBMFYSA-N 484.428 1.787 30 10 JDEE CC(C)(C)OC(=O)N1CC(N2CC(C(=O)Nc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)C2)C1 2284241829 PCHGLJRGRQQVKP-UHFFFAOYSA-N 458.368 1.870 30 10 JDEE COCc1nnc(SCCO)n1N=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2331612973 CWXXZOUPOYWSCQ-UHFFFAOYSA-N 451.549 1.111 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2339431224 KJJNTDZWBIZGJF-JYJNAYRXSA-N 469.775 1.787 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@H]1C(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2357337374 SJYKAOQQKBIVBL-WFKRUUOSSA-N 466.384 1.802 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)[C@@H](CC(N)=O)C1 2369381263 OSSWPFLMXJYCFP-ZDUSSCGKSA-N 480.396 1.379 30 10 JDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)n[nH]1 59888211 IBQQXXSRPLBCFU-LSHDLFTRSA-N 497.541 1.061 30 10 JDEE Cc1ccc(S(=O)(=O)O[C@@H]2[C@H]3OC[C@H](O3)[C@H](OS(=O)(=O)c3ccc(C)cc3)[C@H]2O)cc1 116677260 NJSSICCENMLTKO-WPVAHCMFSA-N 470.521 1.267 30 10 JDEE Cc1ccc(OC[C@H](O)Cn2c(NN=Cc3ccc([N+](=O)[O-])o3)nc3c2c(=O)n(C)c(=O)n3C)cc1 254757441 PQBBPSUHHQLNIC-CQSZACIVSA-N 497.468 1.129 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)NCC(=O)Nc2ccc(Br)cc2C)CC1 561196660 IBUXYUKLAAQBHG-UHFFFAOYSA-N 452.353 1.325 30 10 JDEE C=C(C)CN1CCC(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1144413501 NWEAEBDXRHHZJW-KRWDZBQOSA-N 453.561 1.766 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1286392783 NTKHWTIVSCSXNT-IBGZPJMESA-N 473.599 1.177 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[C@H](O)C1 1286402962 ZSFWCJXKJGRXGM-ICSRJNTNSA-N 455.584 1.819 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)CCCN2C 1286409974 PYOSNTIGPCSHEM-JOCHJYFZSA-N 482.610 1.115 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)N2CCC(C)CC2)CC1 1286489669 BQCMCDPXXFWRKC-IBGZPJMESA-N 452.607 1.765 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCCCC2=O)CC1 1286592480 HJFLIWGEISHFHA-SFHVURJKSA-N 466.608 1.168 30 10 JDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286705816 FVZHMMBEFXZDQD-INIZCTEOSA-N 456.613 1.176 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C2CCOCC2)C1 1286711888 QMNSNVFVECVFMD-VQTJNVASSA-N 483.635 1.457 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)COC)CC1 1286779268 HMTORCGNBUTRGM-INIZCTEOSA-N 476.965 1.669 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286784517 KIARHVHWHMNPKR-AWEZNQCLSA-N 452.968 1.371 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286789186 BYVVUJSLTYVMGQ-GOSISDBHSA-N 472.619 1.518 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1286792443 YAPPCAAMKIGWKK-GAJHUEQPSA-N 452.515 1.415 30 10 JDEE CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1294612292 HYVRGVDRYJBFTH-LJQANCHMSA-N 459.576 1.219 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCCN1CCC[C@H]1CO)[C@@H]1CCS(=O)(=O)C1 1300488617 TVEAJEIHDJATLL-RBUKOAKNSA-N 460.604 1.137 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1300502956 ZIMOOWWPNFPAEM-SFTDATJTSA-N 490.651 1.657 30 10 JDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1300761669 DJKZBPANAGIKAU-NYLDSWQDSA-N 474.675 1.965 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)C1 1300886493 YFTKKUCEHWUBQZ-BDXSIMOUSA-N 471.649 1.534 30 10 JDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(=O)COC)CC2)cc1 1301519086 QAISXHNWVLOPBZ-UHFFFAOYSA-N 451.531 1.587 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H]2OCO[C@@H]2C1 1301578085 XRQGKXDOMVDSIX-CALCHBBNSA-N 454.936 1.769 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCc2c(cccc2OC)C1 1301586434 LUMLAACUFCZROZ-UHFFFAOYSA-N 459.572 1.573 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1301588840 KNPDVLDOFCKGQP-IEBWSBKVSA-N 498.602 1.498 30 10 JDEE CN(C)c1cccnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1314663033 FKIAVKPTTRPVGQ-GOSISDBHSA-N 451.556 1.949 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1315066593 CJUHWMXJSQUEAI-HRAATJIYSA-N 460.560 1.140 30 10 JDEE N#C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2COCCO2)CCO1 1316539249 CSZWEDMQSZFLBY-SJORKVTESA-N 464.320 1.764 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OCCC 1358890597 RVPUIOXYGFDSAL-FUHWJXTLSA-N 462.576 1.301 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1358957714 YUNRKCVRSFZREL-WDJPJFJCSA-N 494.658 1.887 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1358962038 JCKCCDJSKWMXBT-SJLPKXTDSA-N 461.975 1.752 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358965077 NJRJRENRPGAUNF-LJQANCHMSA-N 475.640 1.803 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1358968011 XLSVEYTXTUURKO-NHCUHLMSSA-N 478.663 1.174 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2ccccc2F)CC1 1359041390 VJODVGYOSWAYMP-KRWDZBQOSA-N 490.605 1.626 30 10 JDEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)COC)CC1 1359132610 BAXXAQLXYAIHTF-UHFFFAOYSA-N 484.605 1.340 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](COC)C1 1359144234 CCJYNFASUAZSPQ-INIZCTEOSA-N 455.968 1.800 30 10 JDEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359217528 CGHXUHODSXFEQT-UHFFFAOYSA-N 452.559 1.771 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccco1)N(C)C)C1CC1 1359251349 JREJTRHELRYZAJ-IEBWSBKVSA-N 464.592 1.662 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1359299017 RNWVMPYOPCMNMW-JKSUJKDBSA-N 450.547 1.815 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(N2CCOCC2)C1 1359337732 ZAIOTPNFDZUQPC-LPHOPBHVSA-N 458.654 1.109 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCCC2)c1 1507546362 GAFLRZIQSNJZBA-KRWDZBQOSA-N 473.603 1.040 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN(C)CCOC)[C@H]1CCS(=O)(=O)C1 1507629696 OPPHAYGZOJVDRR-FQEVSTJZSA-N 456.572 1.022 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1507634075 IRTBBTGWBFDXID-FQEVSTJZSA-N 465.583 1.400 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCC(=O)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 1507635759 VDFXYTQRKVUKMS-NRFANRHFSA-N 478.578 1.919 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507639893 MVINKZRPJFVEKY-LJQANCHMSA-N 476.647 1.292 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1507734475 XMFUPCSMVPLIDO-UHFFFAOYSA-N 458.588 1.324 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1507806597 PLGODRZMJQRDCG-HUTLKBDOSA-N 469.608 1.254 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCNS(=O)(=O)c1ccc(C)s1 1507814979 ADPOKYWVENMVGO-OAHLLOKOSA-N 452.606 1.980 30 10 JDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1507821805 KZNNACZCJAWJBK-UHFFFAOYSA-N 455.538 1.990 30 10 JDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1507832807 NSLHFHWSSTXCSM-UHFFFAOYSA-N 456.576 1.393 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(=O)C2CC2)CC1 1507936111 XZJVUEXCXIGKRN-LJQANCHMSA-N 480.635 1.416 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCOCC1 1508007913 IAPILUFHXNPINJ-SFHVURJKSA-N 491.589 1.794 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1508140551 IXDHVBMNGPSJMH-HNNXBMFYSA-N 479.525 1.278 30 10 JDEE CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1508775472 CJVSMINDYLIYJS-GOSISDBHSA-N 470.599 1.992 30 10 JDEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC)C1)S(C)(=O)=O 1515706094 HBCROHAHCJLHCL-LJQANCHMSA-N 462.576 1.340 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccn(CC)c2=O)CC1 1515989686 DCCRIXAHKWGMPO-UHFFFAOYSA-N 474.569 1.305 30 10 JDEE CCS(=O)(=O)NCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1 1516837184 APWZBZNKFATYIC-IFXJQAMLSA-N 454.503 1.938 30 10 JDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(CCN(C)C)CC2)CC1 1517607247 GYGTVVSSBRSDOI-UHFFFAOYSA-N 479.633 1.552 30 10 JDEE CNS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1517627199 DRINEZROSJOLKZ-UHFFFAOYSA-N 457.604 1.679 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCNC(=O)c1cc[nH]n1 1538983563 UJBNIRYIRFWUEJ-CQSZACIVSA-N 453.503 1.582 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1539124446 GKNIKIGIBVFMTH-ROUUACIJSA-N 496.634 1.518 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1539206573 RMTCRABXDOWFFQ-JCUDRXCFSA-N 492.642 1.927 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOCC(F)(F)C(F)F)[C@@H]1CCS(=O)(=O)C1 1539216694 VUVRQADBLRLBTO-CYBMUJFWSA-N 463.457 1.817 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539222383 VREHQIPQEFTQIK-WOJBJXKFSA-N 451.637 1.918 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCOCC1 1539264273 YRXNSGRFSFDFRT-IBGZPJMESA-N 484.601 1.748 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1([S@@](C)=O)CC1 1539384671 LSOBWRBHBKNYIK-INCQDFKNSA-N 467.592 1.578 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC(F)(F)C2)CC1 1539469886 VQCSPPUENYCAHP-GJZGRUSLSA-N 472.562 1.290 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCSC2(C)C)CC1 1539481946 QDHWBSVANBXJJQ-MSOLQXFVSA-N 479.672 1.678 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1539847119 AAIAYISKQLVZBK-SFTDATJTSA-N 495.694 1.041 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(F)cn2)CC1 1539968336 YPGLRXKKTQBISD-LJQANCHMSA-N 493.609 1.828 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1540073978 VWRDRJHLIMGSBT-AQNXPRMDSA-N 468.668 1.991 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1540903359 DEPVXUFEJPMJCD-RTBURBONSA-N 496.659 1.436 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1540905744 ZGDDQUYXIWGARV-TZIWHRDSSA-N 474.631 1.412 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](C2CCOCC2)C1 1540907119 LVOMJXUMKMIQJY-SFHVURJKSA-N 451.593 1.254 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCCC2)CCO1 1541082310 DIHNBXSSBKEBSN-NRFANRHFSA-N 468.558 1.765 30 10 JDEE CCc1nn(C)c(OC)c1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1546394093 GJTVWARSOUKOMW-OAQYLSRUSA-N 453.482 1.720 30 10 JDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)N3CCN(c4ccccc4C#N)CC3)C2)cc1 1564719227 CFWKBIBOHVJWSF-UHFFFAOYSA-N 455.540 1.472 30 10 JDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1587852773 ZRIZKLASDLRKGD-FQEVSTJZSA-N 455.607 1.461 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1588070350 ZHONRULCMJASCM-NJDAHSKKSA-N 483.594 1.907 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1588189423 JABRUCLTQHIIQZ-IBGZPJMESA-N 480.388 1.059 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cnn(-c2ccccc2)c1 1588647072 RANUAWAJCQJIDO-HXUWFJFHSA-N 468.583 1.695 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1588985918 XHPSUQRCFXJKSA-KSZLIROESA-N 455.650 1.898 30 10 JDEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCS(C)(=O)=O)CC1 1594096884 JSFGUFPOVVAAFW-MRXNPFEDSA-N 455.581 1.788 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCC[C@H](C)C2)CC1 1594097393 SJRBUORRSOCDHN-OALUTQOASA-N 452.625 1.499 30 10 JDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1595398366 BCYGNVGYGOKREO-UHFFFAOYSA-N 453.595 1.285 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2OCC)CC1 1595467401 STLWSQZDVJTYNV-UHFFFAOYSA-N 467.574 1.542 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1595777866 SCFZOPJDEZYCKY-UHFFFAOYSA-N 467.617 1.454 30 10 JDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1617612338 FGZONNCQSCDSLF-UHFFFAOYSA-N 463.464 1.800 30 10 JDEE CNC(=O)CCn1c(CCCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1618811686 APHAFMJSQGKIFH-LJQANCHMSA-N 473.585 1.966 30 10 JDEE CC(=O)N1CCN(c2ccccc2CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1627458452 WHHGDIBLQYZBLS-UHFFFAOYSA-N 458.515 1.721 30 10 JDEE C=CCn1cc(C(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CCN(C(=O)OC(C)(C)C)CC2)nn1 1642784913 IKJWWTLISCZFMC-SJLPKXTDSA-N 459.551 1.472 30 10 JDEE C=CCN(CC(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1)[C@@H]1CCS(=O)(=O)C1 1653611994 UVYLSKKAHNATIZ-GOSISDBHSA-N 457.618 1.639 30 10 JDEE CNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3C#N)CC2)cc1 1665807695 GUMULUOLMSLQJX-UHFFFAOYSA-N 454.961 1.631 30 10 JDEE C=CCN(C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)[C@H]1CCS(=O)(=O)C1 1667564665 IJJMMDLFCDQNBA-XMMQZVGTSA-N 454.574 1.706 30 10 JDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)cc1 1676356281 HJNXYBSIXMGROG-OAHLLOKOSA-N 458.544 1.780 30 10 JDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 1683309639 MTTDWASBDZVBLC-YOEHRIQHSA-N 454.505 1.210 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)[C@@H](C)CC)c1 1689871961 JWNDDWQIRKICDH-AZUAARDMSA-N 486.642 1.967 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689984790 VMUPENUFLIMQEF-GHTZIAJQSA-N 487.626 1.929 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1689995853 BDBCYUZHDRZRIL-SFHVURJKSA-N 480.612 1.091 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C(C)C)N1CCOCC1 1690039391 DHPJYABCILQUBF-HSZRJFAPSA-N 473.585 1.741 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(NC(=O)OC)c2)CC1 1690134942 LYFYEPJTFKACBK-UHFFFAOYSA-N 493.568 1.707 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS(=O)CC1 1690239215 TYCGLXUCIQPQNJ-IEBWSBKVSA-N 464.613 1.899 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC[C@@H]1NC(=O)NC1=O 1690266664 FCTHQZZPZOWGRJ-IRXDYDNUSA-N 491.593 1.977 30 10 JDEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1690434864 JVODMJZDEISYOB-UHFFFAOYSA-N 479.589 1.333 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1690672453 RZPLJZDENRPJAX-APWZRJJASA-N 454.531 1.588 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)OC)CC1 1690721160 ZSCVIGNWQCQEKX-UHFFFAOYSA-N 463.516 1.163 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1690728951 BSBNYGGOEHONSB-JOCHJYFZSA-N 478.571 1.462 30 10 JDEE CCOC1CC(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CC#N)(N2CCOCC2)C1 1696183717 DLGSDHMHGZOXOT-MVBMGLOESA-N 459.595 1.522 30 10 JDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705544634 YIFINAOKWSDLHT-HNNXBMFYSA-N 463.560 1.322 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1705561251 OKGJXCIXSVUOBZ-ZDUSSCGKSA-N 454.350 1.187 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705568469 ODOZTQOUBSGSLK-GOSISDBHSA-N 495.001 1.679 30 10 JDEE C#CCN(c1nnc(CC)n1Cc1ccc(OCC(F)(F)F)nc1)[C@@H]1CCS(=O)(=O)C1 1705570647 PYXOAARYRJAKDX-OAHLLOKOSA-N 457.478 1.852 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(C)(C)C)cs1 1705582935 MVZOPRKKFZWVHK-MRXNPFEDSA-N 476.628 1.486 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H]2CCC[C@H]2N2CCCS2(=O)=O)CC1 1705644067 GGERGRBTMUEUSO-WOJBJXKFSA-N 476.647 1.572 30 10 JDEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705654492 KHTOMVLBYLFQMU-MRXNPFEDSA-N 489.399 1.221 30 10 JDEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1705744367 ARNKPSSUXFKGKB-VXKWHMMOSA-N 496.612 1.889 30 10 JDEE C=CC1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCNS(=O)(=O)CC)CC1 1705776969 UZMYZIUAKYNYBC-UHFFFAOYSA-N 495.675 1.888 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1705781389 YCGXGQOYXHTPFJ-INIZCTEOSA-N 481.644 1.937 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705791839 FVTFLXDRTRDXDZ-FQEVSTJZSA-N 460.623 1.755 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cnn(C)c2)CC1 1705805817 OWRLLBVNYYLLDL-LJQANCHMSA-N 478.623 1.027 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1705830566 SGJNFDOBVHMSHI-RTBURBONSA-N 464.592 1.183 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](C(=O)OC)C1 1705907675 UATSOERPPLLXFZ-OAQYLSRUSA-N 495.628 1.334 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705908520 CUBBYSYZMFUJHV-QWFCFKBJSA-N 457.579 1.601 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(NC(=O)COC)CC2)cc1 1705911773 QAPKXBVACCPNJA-FQEVSTJZSA-N 468.558 1.574 30 10 JDEE CC(=O)N1CCN(c2nnc(CCOc3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1 1705998357 NKEMUCURYLDFNF-FTGFMQHASA-N 493.568 1.483 30 10 JDEE C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)CC1 1706080416 DOUSCSCGRQIINF-QGZVFWFLSA-N 467.574 1.289 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CCC(=O)N3CCOCC3)CC2)c1C#N 1707807468 ALCGXEDXFMWPDB-UHFFFAOYSA-N 469.594 1.065 30 10 JDEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1709971144 BTXNMQSGNWDCRK-IBGZPJMESA-N 469.571 1.947 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](F)(C#N)C1 1711019584 GQTRHBHSTYVJPB-LJQANCHMSA-N 450.496 1.050 30 10 JDEE CO[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1)C(C)C 1711543037 GEJMIDFRMOTFAV-YLJYHZDGSA-N 475.619 1.758 30 10 JDEE C[S@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 1712714626 BFFYVVBIDRDSCA-IAQAZVPISA-N 456.572 1.732 30 10 JDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1722331016 ZUFGYDGPMAQAFJ-SFHVURJKSA-N 478.578 1.715 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1722358907 NLUIXEUDFCULGH-JLAWEPINSA-N 463.604 1.346 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1722359123 QBYYZPLAABYIQJ-PMACEKPBSA-N 489.598 1.435 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1722367438 WEVHBZFUYGSRCU-UDTLNKQYSA-N 476.574 1.565 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCN(C)C2=O)CC1 1722630139 WFGCQBRNFGDRNT-QGZVFWFLSA-N 451.593 1.222 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1csc(C)n1 1722690521 JZTSAUZCMAOPFJ-SWLSCSKDSA-N 453.594 1.297 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1722729452 KXRBRBPQRCGSAY-GHTZIAJQSA-N 477.606 1.766 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)OC)C1 1722730873 GDKSGEWZYIBIQJ-AEFFLSMTSA-N 477.587 1.891 30 10 JDEE Cc1ccc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCS(=O)(=O)N(C)C)o1 1724317500 CUYJMZUPBNMGCK-UHFFFAOYSA-N 470.559 1.331 30 10 JDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1730624512 FEAOQEHMDYBTOX-AUSIDOKSSA-N 453.547 1.645 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740624633 KDVQVZJSIHLFDU-ZWKOTPCHSA-N 490.655 1.237 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740625419 QLICUBAKZJHGLO-KRWDZBQOSA-N 478.644 1.423 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1740629374 LKWZIFPXXYIHTE-CEXWTWQISA-N 470.574 1.514 30 10 JDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCN2CCOC[C@@H]2C)CC1 1740698851 NPPAVRPYHAYPAZ-NRFANRHFSA-N 452.603 1.548 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1740887136 CWWWSNBAJLTHCC-HXUWFJFHSA-N 477.635 1.219 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1740943758 JHFUUMGAIPSBDE-GOSISDBHSA-N 458.588 1.973 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1740963830 YHDYTXPVTNLDHI-OAQYLSRUSA-N 454.575 1.769 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nnc1[C@]1(OCC)CCOC1 1740965666 QYLYNXGWYWWKSX-QHCPKHFHSA-N 485.545 1.467 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1740989109 AATJEIKKHBVQNU-UHFFFAOYSA-N 468.587 1.674 30 10 JDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1740997550 WSAMLFWSRQHEQG-AEFFLSMTSA-N 461.613 1.983 30 10 JDEE CCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)o1 1744456358 DTTVKHILMZALHT-LJQANCHMSA-N 465.514 1.587 30 10 JDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1748747726 MADBVYNWXNOFCZ-NRFANRHFSA-N 463.586 1.966 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(CCOC)CCC1)[C@@H]1CCS(=O)(=O)C1 1748820617 FTXCIMKWMKKWLT-HXUWFJFHSA-N 474.631 1.973 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCn1cc(CO)nn1 1748886220 AUWRRSIVOVKIAF-UHFFFAOYSA-N 455.526 1.768 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCNS(C)(=O)=O)CC1 1749003556 MXKAFUOJVBCXSG-UHFFFAOYSA-N 496.540 1.062 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(C)(C)C(=O)NC)CC1 1749008861 HSUGFRBATDEXOU-UHFFFAOYSA-N 490.568 1.332 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2C)CC1 1749015489 XLAMIUOHQWCWKR-FQEVSTJZSA-N 455.584 1.503 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nc(C)no2)CC1 1749119703 VTDTWDINLBNQAK-QGTPRVQTSA-N 479.607 1.945 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1749268756 GROUEGLRQRLDMZ-OALUTQOASA-N 466.007 1.788 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1749402355 MRYINTGALAWWDM-MSOLQXFVSA-N 471.649 1.541 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(Br)C1 1749457353 KHTVIRUKJOUFKC-INIZCTEOSA-N 490.424 1.693 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1749676504 SJQSAVAQRBZPGA-UHFFFAOYSA-N 461.526 1.234 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C(C)(C)O)cc2)C1 1749699071 ZAUYAZHRAOWLHM-QFBILLFUSA-N 463.604 1.945 30 10 JDEE 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469.611 1.933 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C)CN2CCOCC2)CC1 1300703587 LQTWZMHAJMEXLP-OAQYLSRUSA-N 452.603 1.601 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)CC1 1300708967 ZEVSPNRSADKARH-UHFFFAOYSA-N 457.538 1.539 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1300710520 DPDQQCSTNMCOPN-WOJBJXKFSA-N 456.591 1.541 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC2CCCC2)CC1 1300725368 HFBWIBWZAFNHIP-IBGZPJMESA-N 477.631 1.495 30 10 JDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1300767072 QCBBLTJGGZOVMV-UHFFFAOYSA-N 495.653 1.571 30 10 JDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1300843175 CRJLKHKRVQOHNO-UONOGXRCSA-N 453.341 1.553 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1300936668 HFRZPHKXFXAJOP-UHFFFAOYSA-N 481.582 1.745 30 10 JDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1301237755 XJECJYMSNJLGQE-OTWHNJEPSA-N 453.609 1.973 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1301258707 YOMPNHJFIGLCCO-VQTJNVASSA-N 477.635 1.898 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CCn1cccn1 1301496445 ASYKREBHAANGOG-UHFFFAOYSA-N 475.557 1.871 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1301509334 GEUFUZLIPGXYQL-TZMCWYRMSA-N 472.493 1.728 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1301593842 VHTHNBVCMGSDDY-ZWKOTPCHSA-N 477.562 1.844 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CCO1 1301899271 HRUMMUIQZDTWAN-VXKWHMMOSA-N 467.574 1.005 30 10 JDEE Cc1cc([C@](C)(O)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)c(C)o1 1304151575 HZQBMEJKHCBGRS-DHUIEDIVSA-N 480.591 1.324 30 10 JDEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(C)=O)CC1)S(C)(=O)=O 1313798796 GGSZNZGADFPKGU-UHFFFAOYSA-N 473.603 1.593 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(C)COCCO2)c1 1358900515 MIPKWHGNSIOLKV-VWLOTQADSA-N 489.536 1.787 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCOC2)c1 1358902157 GMDFLGKWNLZBSI-MOPGFXCFSA-N 471.583 1.663 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1358913237 JBVFZFAHIZFZDG-ROUUACIJSA-N 468.587 1.360 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1358913276 JWZFZDAPXRUSPZ-NFBKMPQASA-N 491.589 1.652 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H]1CC(=O)N(CCOC)C1)[C@@H]1CCS(=O)(=O)C1 1358960140 YCGPVQGCEGRZHL-VQTJNVASSA-N 485.610 1.375 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1358961750 DRNJQKKPYNLGHT-QFBILLFUSA-N 484.582 1.892 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358965414 UYQPKKTYONJLGH-GHTZIAJQSA-N 475.590 1.355 30 10 JDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1358999528 UMPFHNATXKSDSO-QYZOEREBSA-N 472.590 1.998 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCS(=O)(=O)CC=C)CC1 1359029889 JSJVVRFMXYTBMW-SFHVURJKSA-N 461.563 1.913 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CCc1ccc(S(N)(=O)=O)cc1 1359065109 IQOHKNCFJNWVLE-VGOFRKELSA-N 461.588 1.884 30 10 JDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1359076085 QHJNALJVOQNDHX-MAUKXSAKSA-N 494.438 1.412 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(O)c2)CC1 1359076601 GVTGULCCNGOTPS-AWEZNQCLSA-N 485.408 1.829 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1359150316 UVSHRNNEVDHOMG-SFHVURJKSA-N 464.014 1.800 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359202850 CUKWEGUCKHNFED-GOSISDBHSA-N 466.608 1.111 30 10 JDEE C=CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1359283119 SLAOXRBUOZRVBP-HUUCEWRRSA-N 450.540 1.352 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1359299109 VNSVPONEWBIFHQ-GOSISDBHSA-N 469.546 1.140 30 10 JDEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)[C@@H](C)C1=O 1360031394 GNXGMPIEOWARKG-SFHVURJKSA-N 467.574 1.900 30 10 JDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)CC1 1459556634 GKBYFIBIRJAUTG-GOTSBHOMSA-N 452.603 1.102 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@H](C)N3CCOCC3)CC2)c1C#N 1492726966 COICDODBNRAURE-KRWDZBQOSA-N 455.611 1.537 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCCC2=O)cc1 1507538899 PYMIVFAWHYYNQH-XLIONFOSSA-N 455.584 1.809 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccs1)N1CCCC1 1507539368 VHBKMXNHPAETGF-IPMKNSEASA-N 492.671 1.968 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCN(C)C2)c1 1507549837 QJIXSISNGBWUJR-CLJLJLNGSA-N 496.612 1.442 30 10 JDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1507641559 HKNBSHBTCQXWFM-MZKRTTBSSA-N 475.615 1.207 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(c2ccncc2)CC1 1507653690 QIUWAGJDLONLME-HXUWFJFHSA-N 452.584 1.565 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSCC(C)C 1507671566 MDHHIFLYJPRSOX-GOSISDBHSA-N 453.634 1.463 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1507720190 DVKIXPQHPNGLNG-HXUWFJFHSA-N 452.559 1.632 30 10 JDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCN(C)CCCC)CC1 1507723466 JKWZHIMFWAWWDR-UHFFFAOYSA-N 472.663 1.725 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1507733088 XMNJLBGNDSGMHC-IBGZPJMESA-N 473.599 1.446 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCS(=O)CC1 1508076027 CVGOZLYCLGGUPJ-UHFFFAOYSA-N 455.540 1.988 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1508095809 VSMABNCPNYBVEP-UHFFFAOYSA-N 472.553 1.795 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccn2)C1 1508124382 LRZSJWYTIUXPBE-MOPGFXCFSA-N 462.576 1.030 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Cn2cccn2)CC1 1508131665 OOHPWQIUFSIDQO-UHFFFAOYSA-N 484.586 1.639 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NCC(F)(F)F)C1 1508132830 ZUUOLSVCUGFIDV-CYBMUJFWSA-N 472.493 1.729 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCOCC1 1508140951 RIFBQZLSDNMEFN-UHFFFAOYSA-N 472.571 1.502 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1508149494 WDNXSFFQAMLKGW-UGKGYDQZSA-N 478.619 1.096 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@@H]2COCCO2)cc1 1521109863 HOVCQAXPECMEMH-SJORKVTESA-N 453.421 1.912 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1539126590 YUNJOCGSCNZJMS-GOSISDBHSA-N 456.572 1.019 30 10 JDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1539206196 NHPLZSDHFGMKKS-CRAIPNDOSA-N 451.524 1.211 30 10 JDEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1539220076 PJKFHQCTVJGLEX-QFBILLFUSA-N 460.556 1.842 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C3CC3)c2)CC1 1539469301 RFAQRRFCCFSOOD-QGZVFWFLSA-N 484.626 1.780 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnccn2)CC1 1539599335 DJAOUFYWGUYWLC-AWEZNQCLSA-N 468.381 1.205 30 10 JDEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1539898781 YGUXEYWEIQOWEL-HNNXBMFYSA-N 457.560 1.660 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(C)=O)C1 1539966599 LPIILCTZNVIUKU-ZWKOTPCHSA-N 454.597 1.072 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2ccnn2)CC1 1539968368 ZCBLQGJPOVCICM-LJQANCHMSA-N 478.623 1.475 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1540005163 JZYMKTNLXUNBHG-MRXNPFEDSA-N 457.556 1.879 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1540119099 GUQJSUMRBQYGTC-JOCHJYFZSA-N 472.571 1.429 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CC(=O)NC(C)(C)C 1540869709 UWTLLLOZTFZKLT-UHFFFAOYSA-N 452.519 1.247 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(Cn2cncn2)CC1 1540872374 MTCCCPDSCJKDST-UHFFFAOYSA-N 450.547 1.688 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1540874700 OPXLNLJCPFNGLH-UHFFFAOYSA-N 461.588 1.790 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1540902500 LCBOTFYNHZUUKZ-IERDGZPVSA-N 450.536 1.620 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCC)C1 1540917360 ULGQSWWWCDLFIJ-IRXDYDNUSA-N 459.638 1.536 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1588034806 MAQFNWDKJNWSRN-PGRDOPGGSA-N 492.623 1.544 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccccc1C 1588139104 LTWNEAQHDMIPGA-NRFANRHFSA-N 471.583 1.461 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(O)CCOC2)CC1 1588811929 NIPNCWLQYCBNGU-XMMPIXPASA-N 474.606 1.299 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(SC)CCOCC2)CC1 1588877107 VKPAEAULOQTTDR-UHFFFAOYSA-N 474.631 1.392 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@](C)(O)C2CC2)CC1 1588899862 YSLWJXUTROEQEJ-QHCPKHFHSA-N 452.515 1.980 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCC[C@H]2C)CC1 1588929958 JZCHZIVHCLSDLI-CTNGQTDRSA-N 490.674 1.411 30 10 JDEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1589097531 RVGVVACJMSIQEV-UHFFFAOYSA-N 482.654 1.993 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCNS(C)(=O)=O 1589233852 LREUCAJOUQDPPP-RUZDIDTESA-N 499.685 1.574 30 10 JDEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1589316355 ACHRFEPDBSOLDC-UHFFFAOYSA-N 483.334 1.061 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OC)n2)CC1 1589394668 MCJNVRCZODNMEX-ZDUSSCGKSA-N 463.340 1.263 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1595501380 RPUHZMKJKKXZTA-UHFFFAOYSA-N 454.922 1.487 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1595788662 FUZWHRNKXMOINL-DLBZAZTESA-N 496.634 1.571 30 10 JDEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCS(=O)(=O)CC)CC1 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C#CCN(c1nnc(COCC)n1C[C@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689996014 CBSKONJCLKYRNR-DLBZAZTESA-N 451.618 1.806 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1690113415 JAZWWAIOPSQIEZ-UNMCSNQZSA-N 470.643 1.857 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)N(C)C2CCCCC2)CC1 1690145903 APHJNOLAUITJMU-FQEVSTJZSA-N 470.618 1.929 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1690181391 WYGITTSKULAUGJ-LJQANCHMSA-N 487.674 1.336 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690299145 GXIASLVZGDGYAF-GOSISDBHSA-N 482.545 1.285 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1691226669 AMWQQNRPXMIDDP-GVDBMIGSSA-N 480.591 1.308 30 10 JDEE CC(C)(C)[S@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1691322644 ICZXOWKARUCLHI-UAIZEJDJSA-N 470.603 1.370 30 10 JDEE CC(C)CN1CCO[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(N)=O)C2)C1 1692433683 DDNUSHITBCYMKR-SFTDATJTSA-N 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451.622 1.529 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1509945247 BYOXYDADAPLPGI-LSDHHAIUSA-N 465.605 1.289 30 10 JDEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C[C@H](C)O1 1514179893 HRHVLEWGPYVUOR-AZUAARDMSA-N 468.558 1.981 30 10 JDEE CCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1515855877 CTKROJOGTXEUFO-FQEVSTJZSA-N 457.604 1.773 30 10 JDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1517613802 AHLKWYSZWPVPNX-ICSRJNTNSA-N 469.546 1.242 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(Br)ccc2NC(=O)OCC)C1=O 1535755474 HCUUSRHBBPBHML-UHFFFAOYSA-N 453.249 1.933 30 10 JDEE C#CCCCn1c(N2CCC(N(C)S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539141424 UVQGUBDWLPPTPP-NRFANRHFSA-N 453.609 1.592 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539206750 VTQBHMCQDXGNSJ-FUHWJXTLSA-N 489.573 1.710 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 1539211724 KKLYPMRLWMBKOS-SFHVURJKSA-N 483.550 1.490 30 10 JDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCNS(=O)(=O)c1ccc(C)s1 1539259983 KJOHXXOTJKJBEF-UHFFFAOYSA-N 486.579 1.427 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(CCC(C)C)CC1 1539368872 CHTNPWYNIOPKOA-OAQYLSRUSA-N 480.679 1.829 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CC(=O)N(c3ccccc3)C2)CC1 1539430815 OICUJTDXEWVLMS-SFTDATJTSA-N 466.586 1.810 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ncn(C)n2)CC1 1539469996 WZDQUCJJJYBMEW-MRXNPFEDSA-N 466.521 1.700 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCS(=O)(=O)CC)CC1 1539474198 LDVNJFJDSBQWPY-UHFFFAOYSA-N 480.594 1.894 30 10 JDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1539504882 QJZWHEIQSDKLLL-UHFFFAOYSA-N 465.587 1.592 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS(=O)(=O)CC1 1539622482 WVDKLJFHEZUKIY-HKUYNNGSSA-N 480.612 1.565 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1539728622 JNWZYIPOMZBRDS-SFHVURJKSA-N 474.587 1.497 30 10 JDEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCCOC)C1)c1ccccc1 1539766743 DSECCHSHBHWFKF-NHCUHLMSSA-N 491.614 1.566 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1540137834 VSEFNSVEOFUSAM-VQIMIIECSA-N 476.578 1.842 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1540858205 MHZDLNWMCMTJMC-DLBZAZTESA-N 450.540 1.114 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1540902568 MEHNPIUWTWRCFO-IBGZPJMESA-N 483.598 1.418 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCCC2)nc1 1541115654 CJZSZFQBGWHKQO-MJGOQNOKSA-N 488.618 1.250 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCN1CCCC1 1541946975 DNDVHNXLQOAADM-YLJYHZDGSA-N 473.603 1.434 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCCCO2)CC1 1547767875 FRZHKQUXXBMZSG-OAQYLSRUSA-N 481.601 1.946 30 10 JDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1583897387 ADBDNXMHHNVYCT-SFHVURJKSA-N 451.545 1.152 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1588050907 XPWSPBDNLFEQRF-QGZVFWFLSA-N 497.625 1.808 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1588069636 RNNZAJWZDMUJEI-LJQANCHMSA-N 487.626 1.873 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)N1CCN(CC)CC1 1588646886 OKSGNXQPRPZDDV-NFBKMPQASA-N 468.602 1.903 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1588871814 RGCQHCCAWNZKJZ-UHFFFAOYSA-N 459.572 1.198 30 10 JDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCS(=O)(=O)C1 1594867626 OBFNBUKJIMEMCC-HNNXBMFYSA-N 452.606 1.604 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1595550993 KJOFCVPMMOYPPD-PMACEKPBSA-N 459.639 1.596 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1595805348 NOLSANRQBNMMHF-UHFFFAOYSA-N 466.652 1.212 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1595830781 GXDWTJJWHQMGBJ-LEWJYISDSA-N 475.615 1.586 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSCCS1 1611307471 CYQDLPWPIYATPU-ILXRZTDVSA-N 460.651 1.198 30 10 JDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1619452892 GSMWIDYJVYYUJT-MRXNPFEDSA-N 463.560 1.808 30 10 JDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(=O)n2ccccc2n1 1628278125 CYOIUJAKGSQJPQ-KRWDZBQOSA-N 453.524 1.464 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(CNS(C)(=O)=O)ccc2OC)c1 1637080738 WUTDSLNDHAHUNV-UHFFFAOYSA-N 450.538 1.794 30 10 JDEE C#CC[C@H](NC(=O)[C@@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1)C(=O)OC 1638826345 JVBISHIXSLHANY-XIRDDKMYSA-N 456.358 1.724 30 10 JDEE Cc1c(C#N)c(NC(=O)CN(C)C[C@@H](O)CN2CCOCC2)n(Cc2ccc(F)cc2)c1C 1657526035 FXEFQIOVMFWAIW-OAQYLSRUSA-N 457.550 1.727 30 10 JDEE COc1ccccc1CCNC(=O)CNS(=O)(=O)c1cccc(Br)c1C#N 1668940229 DRKBYWSHCAGVJY-UHFFFAOYSA-N 452.330 1.967 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)N[C@H](C)CC)c1 1689870590 TXWKJXZOBZMYCC-VQIMIIECSA-N 465.558 1.590 30 10 JDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1689901465 KKRQQCCOUMIUSK-KRWDZBQOSA-N 459.597 1.700 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1689982614 QRWIJOGKLJWSMY-KNQAVFIVSA-N 476.603 1.152 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCc2ccccc21 1690047642 VZOHJKBTEDDGBQ-IFMALSPDSA-N 467.595 1.804 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](CC=C)c2ccccc2)CC1 1690124543 NZFYPHJWNWYYFR-DHIUTWEWSA-N 498.653 1.726 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@]2(O)CCN(C)C2)CC1 1690133455 HOVFCPCJCAEMMQ-DEOSSOPVSA-N 454.575 1.078 30 10 JDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690172798 OUOZYUZPDMXELV-HSZRJFAPSA-N 468.631 1.781 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)c2ccsc2)CC1 1690411210 HUWBBWGEPMOPRO-NQIIRXRSSA-N 481.644 1.983 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)C(C)C 1690581667 WCIFPANZDORWKR-LEWJYISDSA-N 484.649 1.769 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1690665407 BZVWOGXYQLJSJB-IBGZPJMESA-N 490.612 1.832 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690675859 HSWJGXKHSMGWDY-UHFFFAOYSA-N 485.564 1.043 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1690687814 JQSUYOQGROISRD-KGLIPLIRSA-N 478.351 1.805 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1690742565 USNRMYOHLUGEKL-HOTGVXAUSA-N 453.576 1.525 30 10 JDEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1695049083 ADCNZEIHZFGULY-SFHVURJKSA-N 487.630 1.841 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2csc(COC)n2)c1 1705505296 LEUSZFLHDFZJEB-SFHVURJKSA-N 479.566 1.937 30 10 JDEE C#CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=C)C)[C@H]1CCS(=O)(=O)C1 1705564569 CMCAPKXNYRIISJ-ROUUACIJSA-N 479.603 1.789 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1705565203 TWLSTIDJBLTJDP-SFHVURJKSA-N 466.567 1.922 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 1705568509 OUJNMMKNCDJOGP-IBGZPJMESA-N 497.577 1.702 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(N2CCOCC2)c1 1705572573 HBUBUAFYHGDSTI-UHFFFAOYSA-N 455.522 1.883 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCCC2)CCOCC1 1705667543 VRTFLNJWXJVGCB-GHTZIAJQSA-N 464.636 1.525 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnnn1C 1705859704 DRXXULWGEKRJPM-SFHVURJKSA-N 452.544 1.421 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H](C)N(C)C1CC1 1706886942 GBUSISUAWJRQCM-ROUUACIJSA-N 486.646 1.569 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc(-c2ccccc2)n1 1722293564 CZAAXPBVCSQTDK-QFBILLFUSA-N 470.555 1.772 30 10 JDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1722346741 AHICEZPICFYLKL-LJQANCHMSA-N 454.575 1.974 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CCOCC)CCC1)[C@H]1CCS(=O)(=O)C1 1722367730 NVPDKQNEHVOHJG-MOPGFXCFSA-N 498.671 1.404 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(CS(C)(=O)=O)CC2)CC1 1722429862 TZJJDSZIBOQKJK-UHFFFAOYSA-N 484.626 1.727 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(C(CC)CC)no2)CC1 1722437071 JJOQDVZZIIWLJJ-GOSISDBHSA-N 460.604 1.875 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(C(=O)NC)c2)CC1 1722440143 DEQQHSATTQKENS-UHFFFAOYSA-N 477.594 1.433 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1722441689 OIWZYVBUMSABEO-FCQUAONHSA-N 479.516 1.278 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cnn(CC(C)C)c2C)CC1 1722448113 RUGKZKXGNWDJFE-FQEVSTJZSA-N 466.590 1.404 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1722449594 VWQMWOVMGYBPBI-UHFFFAOYSA-N 492.605 1.682 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCC2=O)CC1 1722528239 FJELVINGLMKLRF-MRXNPFEDSA-N 454.597 1.072 30 10 JDEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722533811 BFQYPOYOUOHVBY-UHFFFAOYSA-N 496.612 1.741 30 10 JDEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1722587860 CLUGPTXXPUGELF-UHFFFAOYSA-N 460.623 1.976 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCO[C@H](C)C1 1722729064 WLCAOKPSAHCOER-GOSISDBHSA-N 475.619 1.668 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)NCC)CC1 1722732454 ZHSIUQDOXIKJDL-UHFFFAOYSA-N 490.630 1.926 30 10 JDEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)C1 1731014243 GFGSRAYUDDOHOZ-UTKZUKDTSA-N 476.628 1.450 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccn(C)n2)c1 1740561302 ALPNWCUIVOMHTK-RUZDIDTESA-N 477.569 1.963 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1740615305 ABUAQRRDZUKVHP-RHSMWYFYSA-N 462.576 1.452 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1Cc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 1740616129 TUNMZIKNJJBQHJ-MSOLQXFVSA-N 457.556 1.047 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@](C)(O)CCOC)CC1 1740707179 SDHLFIHLMVYUIO-XMMPIXPASA-N 475.540 1.900 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(=O)(=O)CC 1740727460 MGLPHBCAAVTLAD-OAQYLSRUSA-N 478.644 1.973 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2O[C@H](C)C1 1740887050 AJWUICPRVKSCEH-WIYYLYMNSA-N 491.614 1.991 30 10 JDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1740930632 WKONMEPYKWUAED-MRXNPFEDSA-N 454.556 1.805 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCOC1 1740941259 GNQSGKBKRDWIIB-VGOFRKELSA-N 467.567 1.377 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1740961777 ILMBQJZNYFZHLR-UHFFFAOYSA-N 459.554 1.965 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(NC(=O)COC)CC1 1740988559 IYKFUXYNYKFFIX-UHFFFAOYSA-N 498.609 1.826 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1740990594 WRKSSMIWFZSWBJ-FQEVSTJZSA-N 472.571 1.866 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccccc1 1740991635 ATNZBZLWGCKTBS-WMZOPIPTSA-N 452.602 1.978 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)[C@H](OC)C1 1740993609 ATLAAOGQYYCPAY-JKSUJKDBSA-N 467.617 1.732 30 10 JDEE Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)c(N2CCOCC2)c1 1742230592 HYWBPHQHKJATGD-AZUAARDMSA-N 472.615 1.969 30 10 JDEE CCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1746964550 CCTCGSKYJOWQAF-LJQANCHMSA-N 459.572 1.762 30 10 JDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCCC1 1748105169 FBDASCOPTNNDRS-INIZCTEOSA-N 458.588 1.992 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccnn1C)C1CC1 1748718536 RCIICPTUMAYBPD-IBGZPJMESA-N 461.592 1.317 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1748752055 RBCNBSAWSFXEHE-SJORKVTESA-N 467.592 1.623 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1748802195 NFAHNZLFPGMTKR-OAQYLSRUSA-N 484.626 1.251 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CCCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCS(=O)(=O)C1 1748802475 QGPUBDVYSWULNV-KRWDZBQOSA-N 490.630 1.457 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1748805726 VIWXCZFERLVNOT-MGPUTAFESA-N 484.529 1.197 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1748818407 BFMQNVNTOPXHON-AVRDEDQJSA-N 464.563 1.422 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CCC)C(=O)OC(C)(C)C 1748928967 CEQGWOWEHKTSKV-GOSISDBHSA-N 498.650 1.718 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1748977775 CPVQVDFTTUNDDN-AREMUKBSSA-N 496.612 1.201 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1749001101 ICRXHEJZNQWPLJ-QRVBRYPASA-N 492.646 1.239 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)NC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749139366 DMWMUGFQIDESGO-SELNLUPBSA-N 462.595 1.761 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)C1CCCCC1 1749158274 FNUCVTOEMZEAJL-LJQANCHMSA-N 482.651 1.805 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCc2ccccc2)CC1 1749193479 KMSCJCOTFGQTEK-OAQYLSRUSA-N 474.631 1.552 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1749659475 DUWVLRHINFVCOP-UHFFFAOYSA-N 462.558 1.989 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC)[C@@H](C)C1 1749730830 SDVKZFUIDBZFHQ-INIZCTEOSA-N 471.587 1.725 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1749740950 LGCMSTHXZNZWED-GOSISDBHSA-N 463.535 1.723 30 10 JDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1760143565 KGBMBZVZRQYGEE-GOSISDBHSA-N 470.578 1.730 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1760181175 QOROANUNIHAFRH-PKOBYXMFSA-N 487.561 1.866 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCN1CCOCC1(C)C)[C@H]1CCS(=O)(=O)C1 1760185721 BWUXORIEORKYNH-SFHVURJKSA-N 451.637 1.604 30 10 JDEE C#CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1760187555 KFABZIROFCFXQS-GOSISDBHSA-N 493.630 1.544 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(N2CCOCC2)CCSC1 1760336782 IVWJSMSRONBWAR-WIYYLYMNSA-N 469.677 1.791 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1760514521 IEFJHQVDDWQRQW-UHFFFAOYSA-N 485.614 1.585 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H]2CCOC2)cc1 1760530795 YOADRWKQAVXWPS-ICSRJNTNSA-N 477.587 1.449 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)NCC(F)(F)F)C1 1760539971 YJSMOLHFHSPYMY-HNNXBMFYSA-N 487.504 1.808 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2cc(F)cc(F)c2C1 1760548337 DNHIHWHVTCNXDB-UHFFFAOYSA-N 453.515 1.858 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1760553520 UVCAEQMWYGPQMH-JOCHJYFZSA-N 477.587 1.526 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1760555027 URRVVMGGQIZRHA-RDJZCZTQSA-N 468.601 1.684 30 10 JDEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)OC)CC2)CC1 1765497051 FZKBELFIVCPLBA-IBGZPJMESA-N 466.590 1.731 30 10 JDEE CN(C)S(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1766945652 AWIIEJKXFWBUHH-SFHVURJKSA-N 456.931 1.844 30 10 JDEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1771360399 FZPQSDOXNPRGNG-KRWDZBQOSA-N 497.547 1.783 30 10 JDEE CC[C@@H](C)[C@H](NC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1)C(=O)O 1858650986 AAXRJOUENYQZGY-KUHUBIRLSA-N 472.523 1.975 30 10 JDEE N#Cc1nnn(-c2ccc3c(c2)OCO3)c1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 1870155182 ACOVBHPKHALCIA-UHFFFAOYSA-N 495.249 1.865 30 10 JDEE C#CCOc1cn(CCCN2CCOCC2)c(CN2CCN(c3ccccc3OC)CC2)cc1=O 1870560504 ZBTNWOYXLKPQBW-UHFFFAOYSA-N 480.609 1.913 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255535177 QZGGNKVREIBKQR-CHWSQXEVSA-N 453.370 1.542 30 10 JDEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2255641659 UVBHTFPDCXIVOC-UHFFFAOYSA-N 453.370 1.590 30 10 JDEE C[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255751202 WWXFBRQLCCZJRW-CYBMUJFWSA-N 458.390 1.158 30 10 JDEE CC[C@@H](CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255796201 NCTWYHZOSGLZCI-ZDUSSCGKSA-N 458.390 1.301 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@@H](S(C)(=O)=O)C1 2266065528 KILUVVWFXFXTQK-HOTGVXAUSA-N 467.397 1.825 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)n1 2267473307 CTGLYQQDIASPID-JOCHJYFZSA-N 460.409 1.662 30 10 JDEE CC(C)(C)OC(=O)N1CC(CCO)(CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267484155 DOMMNCITWGGOHO-UHFFFAOYSA-N 467.397 1.792 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2267708707 OWYZIHXJFHPIBC-GJZGRUSLSA-N 488.437 1.759 30 10 JDEE C[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2268653839 RXNVNUGXKOLJMG-TZMCWYRMSA-N 467.397 1.993 30 10 JDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN3C(=O)[C@@H](NC(=O)OC(C)(C)C)C[C@@H]3C2)C1 2281225200 HAAOUZXWKZPMCL-WFUFZQCFSA-N 476.574 1.630 30 10 JDEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3COC[C@@H]32)cc1B1OC(C)(C)C(C)(C)O1 2281968741 ZDROASQLZSVXOE-HOTGVXAUSA-N 462.356 1.180 30 10 JDEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282024599 DAWSBBYGCYYMMF-JOCHJYFZSA-N 462.356 1.268 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2282036303 HIHZXAIYYORJFL-PMACEKPBSA-N 452.364 1.445 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C 2282173283 HKAKHXCUOMWPDT-GFCCVEGCSA-N 471.314 1.489 30 10 JDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1(NC(=O)OC(C)(C)C)COC1 2282325670 ICXHFDUKWFAMDB-UHFFFAOYSA-N 482.408 1.866 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC2CC1(CNC(=O)OC(C)(C)C)C2 2282334287 ZKWRFDYESUQWSR-UHFFFAOYSA-N 482.412 1.397 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCOC[C@H]2CNC(=O)OC(C)(C)C)n1 2282591994 XLZZRWNYOULDEW-OAHLLOKOSA-N 464.372 1.568 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCC[C@@H]2CCCN2C(=O)OC(C)(C)C)n1 2282838844 VKYFXXBPSHIAAF-HNNXBMFYSA-N 484.428 1.787 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CCNC(=O)OC(C)(C)C)CC1CC1 2282851427 BOCIGPZZVJMUIZ-UHFFFAOYSA-N 484.428 1.645 30 10 JDEE C[C@H]1CN(Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282855314 CCKARHQIGHVPCX-PKOBYXMFSA-N 474.436 1.908 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2282857836 NOGAXIBOYJXVMR-HUUCEWRRSA-N 484.428 1.689 30 10 JDEE Cc1nc(NC(=O)[C@H]2CCOC[C@H]2NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2283935598 GKJBZQWMSFTUHQ-GOEBONIOSA-N 462.356 1.953 30 10 JDEE Cc1nc(NC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)ncc1B1OC(C)(C)C(C)(C)O1 2284011741 PMPPBLBKSMIEHD-GOEBONIOSA-N 462.356 1.641 30 10 JDEE COc1cccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1OC 2327840283 NZPQMYAHTZSELE-CQSZACIVSA-N 460.560 1.869 30 10 JDEE COc1cccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NCc2ccco2)c1O 2330749824 MIZIWHPJIKRPFE-UHFFFAOYSA-N 458.500 1.512 30 10 JDEE COc1cc(C=Nn2c(CC(C)C)nnc2SCC(N)=O)ccc1OCCN1CCOCC1 2331445840 SHBFGNKKMWSZAA-UHFFFAOYSA-N 476.603 1.656 30 10 JDEE Nn1c(N/N=C/c2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 20292068 VIEMDYXXKYZBAV-DJKKODMXSA-N 457.432 1.985 30 10 JDEE COC(=O)c1ccc([C@@H]2/C(=C(/O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)cc1 102553301 UPIWUONHDMTUHS-LAFOYAEKSA-N 470.434 1.812 30 10 JDEE C#CCN(C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 729331244 KXTWWZYZMCDTMV-GOSISDBHSA-N 467.385 1.950 30 10 JDEE COc1ccc(O)c(C=NNc2nc(SCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)c1 1084051751 KXSPIZHEZMRYFO-UHFFFAOYSA-N 491.555 1.733 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CC)c2cccc(S(N)(=O)=O)c2)s1 1154583454 IPJODTVZZQQEKR-INIZCTEOSA-N 457.599 1.670 30 10 JDEE C=CCNC(=O)c1ccc(NC(=O)N2CCN(c3ccc(S(=O)(=O)NC)cc3)CC2)cc1 1214815148 DKWVNKSLPRVWNT-UHFFFAOYSA-N 457.556 1.865 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1286386192 WFLPEXQSFTZKLE-DOTOQJQBSA-N 483.591 1.011 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(-n2cncn2)nc1 1286397091 LAGAPWDMKAMNBJ-UHFFFAOYSA-N 485.939 1.958 30 10 JDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1286406920 ABNDTZCFDQSYSA-ROUUACIJSA-N 452.559 1.966 30 10 JDEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)N1CCSCC1 1286446658 KXIXXVMDMORBCH-UHFFFAOYSA-N 469.583 1.985 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CN(CC(C)C)CCO1 1286462219 HKGCJFPOTSMZKN-FQEVSTJZSA-N 493.612 1.635 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@]2(O)CCN(C)C2)CC1 1286494421 OHFGZOYKBRLXFP-RUZDIDTESA-N 450.587 1.096 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1286601051 HHUSECAVEOEFGS-UHFFFAOYSA-N 474.591 1.813 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1286820233 HSYQPMIBGQMTOG-SFHVURJKSA-N 466.608 1.111 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1300481525 ATQWBFAQQKHNRC-VPTFNQTCSA-N 457.581 1.355 30 10 JDEE COc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300636451 ATKAJUHSOWMJEV-GOSISDBHSA-N 474.587 1.887 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1300650136 YVDDLMXTLWLMQW-FGZHOGPDSA-N 495.603 1.951 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccnc(OC3CCOCC3)c2)CC1 1300681715 ZRYFVIGKFCGMCC-UHFFFAOYSA-N 467.574 1.173 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1300894993 KOVHTIIOKGDZAV-KNJMJIDISA-N 468.620 1.997 30 10 JDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1300997336 URDLXNGZMBQUGF-UHFFFAOYSA-N 473.622 1.128 30 10 JDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1301069238 AJOITNGFKSPDEA-FQEVSTJZSA-N 466.564 1.194 30 10 JDEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CC1(O)CCS(=O)(=O)CC1 1301365430 PAAYYCKRZFAMHF-UHFFFAOYSA-N 479.628 1.594 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@H](CC)C1 1301497034 LQRDRBOTCFYALJ-QGZVFWFLSA-N 465.558 1.982 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](COC)C1 1301497365 USFJBOKHBMOUAQ-MRXNPFEDSA-N 451.531 1.450 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)OC(C)(C)C1 1301499683 DPAUSHIPANTGTJ-KRWDZBQOSA-N 454.579 1.758 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1301509267 DZMMCUAGTRSNTI-IBGZPJMESA-N 454.579 1.185 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1301587499 PWRGBWLLSPSMEE-KRWDZBQOSA-N 461.588 1.535 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1301637666 FMLRZTCDVKRGJV-WEACTYFJSA-N 471.562 1.493 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1358955091 DMINLTFFNBEYAP-GJZGRUSLSA-N 450.590 1.303 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1358960212 ZOEQBRKMKVYUQU-KRWDZBQOSA-N 476.990 1.679 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C(=O)OC(C)(C)C)C1CC1 1359000062 KZXGJZZVOJGARG-OAHLLOKOSA-N 454.597 1.747 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1359010489 RCMREXPQZKTNEJ-DLBZAZTESA-N 484.623 1.374 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCCNC(C)=O)CC1 1359034254 JPOYFJYYMDJEBN-UHFFFAOYSA-N 476.585 1.346 30 10 JDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1359038357 TVEGMUBDBGBSEN-OAQYLSRUSA-N 492.546 1.918 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1359044724 MXQJQDFZLIDRFU-JTHBVZDNSA-N 485.677 1.759 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@H](F)COC)CC1 1359045316 CKTGSFWYMXCNPR-XLIONFOSSA-N 457.506 1.741 30 10 JDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1359293675 WWUYKPQFSFSTQY-RTWAWAEBSA-N 466.586 1.950 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(CN3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359306036 UHCWTDCCVFMAEU-DEOSSOPVSA-N 476.622 1.170 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(CN3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359306037 UHCWTDCCVFMAEU-XMMPIXPASA-N 476.622 1.170 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1359331058 MAZORSWPXUWYPT-UHFFFAOYSA-N 477.488 1.358 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2c(ccnc2N(C)C)C1 1359331215 RAMNVXRRFXYSAJ-UHFFFAOYSA-N 456.576 1.303 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1359331700 GIKLWKYQUCZYBN-SFHVURJKSA-N 487.561 1.167 30 10 JDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 1444609648 AHFJAGKMRJVBJV-AEFFLSMTSA-N 456.524 1.021 30 10 JDEE CN(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)C1CCCC1 1503610302 FMGYLYNYKRWVHP-IBGZPJMESA-N 465.624 1.225 30 10 JDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1504912964 DOFBFLUQJNYFNV-HSZRJFAPSA-N 467.618 1.942 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCOC2)c1 1507548348 RIYAUUWIWYVFJD-AEFFLSMTSA-N 474.587 1.371 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1nc(C(C)(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1507622857 NTWSRFRKIGGCEN-OAHLLOKOSA-N 478.644 1.845 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(C(C)(C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1507632148 XQCQPFFSLIFQAW-LJQANCHMSA-N 466.567 1.638 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCC[C@@H](C)C1 1507670929 DXASJAFWJNHOGL-HKBOAZHASA-N 476.647 1.194 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1507781600 DFFLIUMWLOCMAU-KGLIPLIRSA-N 472.351 1.515 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC2(CC2)C1 1507784197 HJJOJQKBVCBULI-AWEZNQCLSA-N 476.397 1.136 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(C)=O)C1 1507796756 JMAPPTUEVVINID-WTGUMLROSA-N 465.620 1.514 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 1507832331 YTGHQLREJKSZTL-QUCCMNQESA-N 490.630 1.843 30 10 JDEE C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1507834891 XYFNDMGAZFXDRN-UHFFFAOYSA-N 482.585 1.503 30 10 JDEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCS(=O)(=O)NC)CC1 1507883872 BEIGDRFEGPRZBT-MRXNPFEDSA-N 470.596 1.292 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)nc1 1508039726 PPKACVLEPUDHHV-GOSISDBHSA-N 450.565 1.002 30 10 JDEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCSCC2)CCO1 1521120975 DSMUGYPOJYQHQE-AWEZNQCLSA-N 452.382 1.813 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1539202890 LWGFNSVMPPMIHF-AWEZNQCLSA-N 452.487 1.597 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1539224206 CZFDNNSWUYLOAZ-HXUWFJFHSA-N 466.567 1.733 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1539231314 UXKJIVFJSYEIAF-IBGZPJMESA-N 453.572 1.518 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1539408909 HSGGLOYNNNISHD-QGZVFWFLSA-N 455.485 1.418 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCN(C(C)=O)C1 1539409174 QNBJNKROWADCPK-IBGZPJMESA-N 477.569 1.537 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCC(=O)N(C)C)CC1 1539480483 ABILWVRMLULTRY-OAQYLSRUSA-N 480.569 1.625 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1539517283 LEVKPMSWCOWXLD-VQTJNVASSA-N 480.704 1.151 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1539803015 DAZHNAYCTFOEKQ-GJZGRUSLSA-N 462.967 1.309 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCN(CCC)C2)CC1 1539891137 ZDYCXBZDQOGPJU-UXHICEINSA-N 466.652 1.745 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1540865869 VFNPGQURFVRGBP-IBGZPJMESA-N 469.571 1.123 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1540869591 QZJRZSIZVPLHJY-GVDBMIGSSA-N 473.578 1.271 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1 1555545070 BEZGYKCTLMFXOA-QFIPXVFZSA-N 494.644 1.780 30 10 JDEE C#CCCCCn1c(-c2ccccc2F)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1587746287 ONUYTTDQCBBGTP-UHFFFAOYSA-N 466.521 1.354 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1588025008 RAKBWQWXLLRPEQ-HKUYNNGSSA-N 489.573 1.747 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1588035362 SPFRSRROYVIYFC-LEOXJPRUSA-N 492.598 1.446 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588050676 ULALJTROTYWAAM-VQTJNVASSA-N 454.556 1.693 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1588806207 JMFQIMIKFPWLPL-UHFFFAOYSA-N 452.563 1.890 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1588923630 HAVCXMZBUZSYKN-UHFFFAOYSA-N 490.612 1.633 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)Cc2ccccc2)CC1 1588929577 DARMLPKPWXLXSX-QFIPXVFZSA-N 498.653 1.278 30 10 JDEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1594807462 PGWYHKJLJFEKTK-QGZVFWFLSA-N 465.558 1.935 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C2CC2)CC1 1594812846 LLCYLRZYJDIQKP-SFHVURJKSA-N 451.593 1.222 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(F)c1 1595302918 HJEAYADSDKFOQI-GOSISDBHSA-N 453.540 1.437 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1595405555 QLKGDYUAVLYYBX-ZWKOTPCHSA-N 499.540 1.976 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)NC)CC1 1595496936 LUECCGICXZBTRS-UHFFFAOYSA-N 462.352 1.471 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1611710612 BYATZMWHKKZNAL-XDQVBPFNSA-N 450.487 1.911 30 10 JDEE C#CC[C@]1(C(=O)NCc2ccc(OC)c(S(N)(=O)=O)c2)CCCN1C(=O)OC(C)(C)C 1641974364 BTURRLQEQYRGMD-OAQYLSRUSA-N 451.545 1.752 30 10 JDEE CCS(=O)(=O)N(C)C1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 1642071636 CLBMUKABAJQJDW-GOSISDBHSA-N 453.634 1.203 30 10 JDEE COC(=O)[C@H](NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1ccc(Br)cc1 1653761525 CIRXRPCULSFYFV-IEBWSBKVSA-N 451.365 1.945 30 10 JDEE C=CCC[C@H]1CCCN1C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 1671003728 AUNDYYXLHGJVRL-INIZCTEOSA-N 459.590 1.931 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689993423 DERVDDIIWRKTCZ-GOSISDBHSA-N 468.587 1.285 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1689997012 UGCCRTASKSYSBR-OAQYLSRUSA-N 487.674 1.888 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(C)(C)O)c1 1690046529 DAPCKYRGLFAWQB-NRFANRHFSA-N 485.610 1.350 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1690101290 WAYUZJWPJZBBRH-UHFFFAOYSA-N 484.582 1.103 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)CC1 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C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)C)c1 1705506950 MWBDEPWWYKWNGM-IBGZPJMESA-N 474.587 1.323 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1705563775 FDPLEYKQMGLQLX-RBUKOAKNSA-N 476.624 1.848 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1705566046 LQYYWGJVUDZMJU-SKINQDTJSA-N 460.604 1.901 30 10 JDEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1705572302 XIXGKLMBQIWLRT-OTWHNJEPSA-N 495.646 1.838 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1F 1705599386 YITCHNBTVSFEMM-LJQANCHMSA-N 477.537 1.595 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CC(=O)N1CCOCC1 1705622668 PFCNHBCWVNVEOQ-UHFFFAOYSA-N 480.338 1.792 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC(F)(F)CO1 1705623535 VSHPUQCUWUWNRR-MRXNPFEDSA-N 454.499 1.859 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 1705633575 TWVOLBBHAFOVED-SIKLNZKXSA-N 487.674 1.509 30 10 JDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1705720517 CRYYFPKEOWDBID-BRWVUGGUSA-N 494.618 1.217 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1705890960 ROJPHWUAYWUNLY-CYBMUJFWSA-N 451.471 1.145 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2C)C1 1705898033 ZCUFMUKIPDCLJR-AEFFLSMTSA-N 462.576 1.077 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705907847 ZPDLAASYLHWNPP-OFNKIYASSA-N 479.629 1.354 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(Nc2cccnn2)CC1 1705931820 BISWQNACCUKABV-UHFFFAOYSA-N 454.560 1.812 30 10 JDEE C[C@@H](CN1CCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1706814698 CUFDOBLUOHGCRA-FQEVSTJZSA-N 464.618 1.759 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1cccc(C(F)(F)F)n1 1706889625 HQCSOEJJUHNNOF-CHWSQXEVSA-N 489.480 1.110 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@H]1CCOC1 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C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCS(=O)(=O)NC)CC1 1722573051 MVKKAZPIZIFIGW-UHFFFAOYSA-N 466.995 1.813 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSCCS1)C1CC1 1722651020 OXUKDAAENCUXFF-HZPDHXFCSA-N 459.663 1.614 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1722698913 OYQYUBOIDJRILL-KRWDZBQOSA-N 459.620 1.815 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CCOCC2)C1 1722719774 ZRFUHJVKMUANPP-OALUTQOASA-N 469.608 1.209 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C2CCOCC2)C1 1722736982 OUDLPGCFGVECKD-AABGKKOBSA-N 468.620 1.856 30 10 JDEE CCC(CC)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1727147815 HCPHYJPINCCVGE-XLIONFOSSA-N 468.624 1.946 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc2c(c1)OCO2 1740574496 LMWPLEHYMRDOHZ-HXUWFJFHSA-N 475.571 1.780 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccccc1 1740640000 HTTACGKOSRLKLM-VQTJNVASSA-N 457.556 1.072 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1N1CCOCC1 1740640643 RRPJVOXYXDDHJG-FQEVSTJZSA-N 453.568 1.138 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)nn1C 1740686844 XJFMRSQSALKHPE-IBGZPJMESA-N 473.578 1.763 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1740693026 SFUBUEMTOUUZLR-TYBLODHISA-N 474.650 1.573 30 10 JDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740712866 WSZOEIFUEMMALP-UHFFFAOYSA-N 477.594 1.454 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCC(C)C)C1 1740760946 LOYCPJNXNJEVIX-MHTWAQMVSA-N 497.662 1.844 30 10 JDEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1740792646 JYSAHWCKCXHOSW-KRWDZBQOSA-N 465.558 1.935 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccc(Cl)cc1 1740959910 HDNUQHSSFRQZFL-OAHLLOKOSA-N 467.979 1.651 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1740965433 JEFOIOHMGGPEAA-GUYCJALGSA-N 481.479 1.676 30 10 JDEE C=CCOc1ccccc1Cn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 1740970718 BNRIZGRLHFUVHQ-RDPSFJRHSA-N 471.558 1.495 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(F)c(F)c1 1741801520 BJCSSJZHJCRQOS-RDTXWAMCSA-N 484.529 1.707 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1748752525 YQFATYDGBKHQID-ICSRJNTNSA-N 464.636 1.335 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)cc1F)[C@@H]1CCS(=O)(=O)C1 1748815133 NQZFGBFNKMPDER-QAPCUYQASA-N 461.519 1.052 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748816011 VPUQKFXHLSXBJK-DLBZAZTESA-N 461.592 1.541 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1748819621 QIKODKTUKRPUHV-HXUWFJFHSA-N 499.618 1.342 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1748819978 WBDBIXSUNIZQAC-GOSISDBHSA-N 469.571 1.164 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 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C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N1CCOCC1 1749584177 IPJMSZIOVBPGGM-HXUWFJFHSA-N 452.559 1.713 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1749669619 IZEXAAZUEWJRJA-SFHVURJKSA-N 457.579 1.006 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cs2)CC1 1749721361 HYWQFPCLMLOVIQ-UHFFFAOYSA-N 467.621 1.109 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1749733790 CLRKXYLNTMCMTP-NRFANRHFSA-N 450.609 1.953 30 10 JDEE Cc1cnn(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)c1 1751728769 GEQKDDVGWWYAQJ-SFHVURJKSA-N 484.586 1.404 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(-n2cncn2)nc1 1760102550 MJFAPHUHFAOQCK-QGZVFWFLSA-N 491.581 1.677 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN(CC)S(C)(=O)=O 1760111319 LQJVXPOSPMUMRK-KRWDZBQOSA-N 485.614 1.804 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1c(CC)nn(C)c1OC)[C@@H]1CCS(=O)(=O)C1 1760182016 ANPBNHSVQHRUAW-GOSISDBHSA-N 498.609 1.933 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760185832 FJMRZCKGEPIXMX-PMACEKPBSA-N 465.664 1.850 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC)c(O)c1)[C@@H]1CCS(=O)(=O)C1 1760187368 JGNRFVJQMVXURJ-XLIONFOSSA-N 460.556 1.909 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCCN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1760190785 ZBWLLEILCGWNMO-HXUWFJFHSA-N 473.647 1.318 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cn2cccn2)c1 1760234029 RNDYLQYJYAAEHE-NRFANRHFSA-N 483.598 1.364 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1760255338 HRGDDJYKQJMEIA-UHFFFAOYSA-N 456.547 1.895 30 10 JDEE C=CCCOCCn1c(C)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1760447291 MLFUBHGRGCAJHQ-BRWVUGGUSA-N 455.581 1.306 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(=O)N(C)C)c2)C1 1760542873 KYSHZCQZEIRLAB-VQTJNVASSA-N 473.599 1.712 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760557384 JVHWWAWZMWWHSH-IBGZPJMESA-N 482.628 1.780 30 10 JDEE Cc1noc([C@@H](C)N2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NC(C)C)CC2)n1 1762639072 FQAKKQBXDOETLM-MRXNPFEDSA-N 463.546 1.916 30 10 JDEE C=CCNC(=O)[C@H](CCSC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1861751686 YKLJDWWQTRYOPC-KRWDZBQOSA-N 476.020 1.515 30 10 JDEE CC(=O)N1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)N=C2NS(=O)(=O)c3ccccc32)CC1 1869928037 NWHLADZKKRLTQA-NRFANRHFSA-N 479.562 1.508 30 10 JDEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)CNC(=O)c2ccccc2)cc1 1870152506 WELGFXILPIKEJI-UHFFFAOYSA-N 488.552 1.579 30 10 JDEE C=CCn1cc(OCC(=O)Nc2ccc(C(C)=O)cc2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870400469 KESSUWKPTIMHKP-UHFFFAOYSA-N 466.538 1.952 30 10 JDEE O=c1c(Br)c(N/N=C/c2cc([N+](=O)[O-])c(O)cc2O)cnn1[C@@H]1CCS(=O)(=O)C1 1873526924 CEZUICBYNCOJFH-WINHXHGESA-N 488.276 1.131 30 10 JDEE C=CCn1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc2c(N3C[C@H](C)O[C@@H](C)C3)ncnc21 1873595941 YZBIDXCXUHGOCN-IRXDYDNUSA-N 498.609 1.851 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)[C@@H](CO)C1 2255635460 HIBISCPCZHAIQG-CYBMUJFWSA-N 453.370 1.496 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255751233 XLDIZKOTSIBDNP-CYBMUJFWSA-N 456.374 1.007 30 10 JDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(NC(=O)C(F)(F)F)C3)c(Cl)c2)OC1(C)C 2255930829 AXEKJDJUSVLCGA-UHFFFAOYSA-N 468.690 1.691 30 10 JDEE COC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256627911 ZFILWRBMJRAHJT-HXUWFJFHSA-N 455.386 1.988 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F 2267202532 DJHWGDWRFMFRCG-LBPRGKRZSA-N 456.295 1.879 30 10 JDEE CC(C)(C)OC(=O)N1CC(CNC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 2267478553 ZLLHYRSCGXCMLG-UHFFFAOYSA-N 465.381 1.500 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2267538685 WLBQTZJKYWDEKN-HIFRSBDPSA-N 467.397 1.790 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267717316 BBSBCJUJJPUIPK-HOTGVXAUSA-N 468.381 1.244 30 10 JDEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2269841559 XHLQPNBYIVBGBN-CQSZACIVSA-N 452.361 1.067 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2282003665 DPPPSWBXMGZGTB-GJZGRUSLSA-N 464.372 1.128 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2282182172 PHIGQNOMTZROIN-SJORKVTESA-N 459.352 1.841 30 10 JDEE CC[C@@]1(NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN(C(=O)OC(C)(C)C)C1 2282349720 CHOBZNBWHBLETQ-OAQYLSRUSA-N 484.428 1.787 30 10 JDEE CN1CCN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)[C@H](CNC(=O)OC(C)(C)C)C1 2282520283 QHTSCWABHQWBPO-MRXNPFEDSA-N 460.384 1.662 30 10 JDEE Cc1ccnc(C(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282568165 YQAFWZNFKDSWHX-QHCPKHFHSA-N 461.368 1.791 30 10 JDEE CC(C)(C)OC(=O)N1CCC(NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)CC1 2282603774 LEVRNGKCKSWBIN-UHFFFAOYSA-N 480.396 1.427 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)n1 2282613951 OKJPJQIJRUJCIA-AWEZNQCLSA-N 461.372 1.776 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2282854731 VJVGZKGYPDYSKL-SOUVJXGZSA-N 482.412 1.253 30 10 JDEE C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282868154 JOMFRVZMAASPBU-XLIONFOSSA-N 474.436 1.908 30 10 JDEE C[C@@H](OCc1ccccc1)[C@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284412603 WOBRMHKPAWJIPW-PBHICJAKSA-N 479.364 1.056 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)[C@H](S(C)(=O)=O)C1 2312860845 CFQRMOLUMXBCMO-GBJTYRQASA-N 458.386 1.617 30 10 JDEE CC(C)(C)OC(=O)NCc1nc(NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2315643327 XKMOZWBTMUCVAP-UHFFFAOYSA-N 450.330 1.837 30 10 JDEE COc1cc2c(C=Nn3c(S)nnc(CCC(=O)O)c3=O)c(C(=O)O)n(C)c2cc1OC 2321663712 BPUXACAQTGRQMD-UHFFFAOYSA-N 461.456 1.034 30 10 JDEE COc1cc(C=Nn2c(SCC(N)=O)nnc2C2CCC2)ccc1OCCN1CCOCC1 2331507941 WHXVOBLAUUGJPN-UHFFFAOYSA-N 474.587 1.725 30 10 JDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)NCc3cc(OC)cc(OC)c3)n[nH]2)cn1 59886719 SLIHGAXVBWJVRE-LSHDLFTRSA-N 474.547 1.519 30 10 JDEE COc1ccc(OC)c(S(=O)(=O)/N=C2\C=C3N(CCO)CCO[C@@]3(O)c3ccccc32)c1 100918917 GLVUITVUSCCTTC-SUFVQAABSA-N 460.508 1.249 30 10 JDEE N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)C[C@H]4CCCO4)cc3)CC2)c1 609437804 LJRUJEHRPDKVJU-LJQANCHMSA-N 483.550 1.193 30 10 JDEE COc1ccc(CCn2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3cnn4ccccc34)c2=O)cc1 729670472 GUEXTOWXWFMSMJ-UHFFFAOYSA-N 499.596 1.934 30 10 JDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1c(C)cccc1C 729671362 HSWMDAQKGQDSQW-GOSISDBHSA-N 487.585 1.818 30 10 JDEE CN(C)c1ccc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1Br 1084044379 KKWMQAAODQZSSI-UHFFFAOYSA-N 491.394 1.819 30 10 JDEE COCCn1cc(C=NNc2nnc(SCC(=O)Nc3cc(OC)cc(OC)c3)n2N)cn1 1084377205 UWHZCGJJKGCPIF-UHFFFAOYSA-N 475.535 1.029 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)CC2CC2)c1 1286309350 KBPCIAYMZRGROJ-LJQANCHMSA-N 484.582 1.110 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1286385717 ZJQJYFMAQAMKDP-GCJKJVERSA-N 459.572 1.309 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1286392768 NRGJPQXBYWJHKA-FPOVZHCZSA-N 483.642 1.874 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1286483396 JLGJAWASFWTSGR-UHFFFAOYSA-N 474.512 1.814 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)CC1 1286489071 DYTOORDBBUUIBV-HSZRJFAPSA-N 450.568 1.651 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1286592868 YUVPEHCNOGDZNY-GOSISDBHSA-N 476.603 1.879 30 10 JDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286674489 FBUPJUJZWPDZBK-FPOVZHCZSA-N 471.650 1.992 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C)C(=O)C1)C(C)C 1286750545 CPSLUFBREPTWEG-IBGZPJMESA-N 469.590 1.983 30 10 JDEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286769888 ZTTSMMNJZGKVRF-UHFFFAOYSA-N 464.368 1.203 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C2CCC2)C1 1286810371 QBQMLNXSZNTHIP-QZTJIDSGSA-N 451.593 1.268 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(F)cc(OC)c2)C1 1286810635 UHFWEOJCAWVISS-UYAOXDASSA-N 495.577 1.588 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1286815676 YQUXPZSDXIUUSH-GOSISDBHSA-N 482.628 1.811 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC1CCOCC1 1288858382 FSDPFROXWYVLGE-MRXNPFEDSA-N 491.593 1.652 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1300308362 BMDJHVPQMSBVDH-YESZJQIVSA-N 467.592 1.479 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CC[C@H](CO)O2)c1 1300336807 OCAFLLCUNMTKFS-FCHUYYIVSA-N 477.569 1.736 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1300710822 MOJHJSASNYZUCE-UGKGYDQZSA-N 485.585 1.831 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@]2(OC)CCOC2)CC1 1300726807 ROTARNLIJVZWOI-VWLOTQADSA-N 451.571 1.949 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC(=O)NCC2CC2)CC1 1300730993 JQTCTAQPXIUPPS-UHFFFAOYSA-N 468.533 1.488 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1301458652 ZPCYSULIIDMWRF-ZENOOKHLSA-N 450.392 1.817 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1301584756 DBTMGZKYKVVROH-UHFFFAOYSA-N 473.665 1.787 30 10 JDEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CC1 1314504151 BHOVQTUDXNZMLE-UHFFFAOYSA-N 465.601 1.655 30 10 JDEE CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CC1 1316339778 HZVQAGRYQSHZGJ-UHFFFAOYSA-N 452.487 1.211 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN(C)c1ccccc1 1358889429 BRWKWJWXAUZZOL-FPOVZHCZSA-N 474.631 1.986 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2ccco2)c1 1358902269 JGMNPTZFAWNHTK-UUOWRZLLSA-N 497.577 1.737 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1358955473 MQTBSZIWOMIXCQ-INIZCTEOSA-N 462.601 1.694 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1358958152 IQKHEQJBFFHNMR-GOSISDBHSA-N 484.582 1.679 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCOc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1358960835 MQUOHOYIWGKERC-LJQANCHMSA-N 472.546 1.914 30 10 JDEE C#CCN(c1nnc(C2CC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O)[C@H]1CCS(=O)(=O)C1 1358961634 CCCKHXLSLHTNPA-MJGOQNOKSA-N 459.547 1.266 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1358963084 BKFPHPQFUUMTNM-JBYIUTFZSA-N 462.572 1.526 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1358967339 IPAXZUPXUMXZDP-SCTDSRPQSA-N 464.613 1.933 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCOc2ccc(C)cc2)CC1 1359029135 PGBSHVOLMPYYQN-IBGZPJMESA-N 460.604 1.421 30 10 JDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1359038356 TVEGMUBDBGBSEN-NRFANRHFSA-N 492.546 1.918 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1359056063 WTDLTRSYMYDBLY-IXDOHACOSA-N 460.604 1.899 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CCS(=O)(=O)CC1 1359067025 YBRLASBBCIDLNJ-HXUWFJFHSA-N 459.528 1.785 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nccs1 1359099836 TZRXYUZFZFLHPM-RYRKJORJSA-N 482.632 1.685 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2cncn2)C1 1359202866 DEDCQCJBVJMMCP-ROUUACIJSA-N 464.596 1.400 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359293423 PMXBLKAMXSFXNG-NRFANRHFSA-N 493.612 1.393 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1359296522 LXAQLGHHDNSKII-LJQANCHMSA-N 451.575 1.380 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(Nc2cccnn2)CC1 1359303798 BDPHNVSYRWVBIN-UHFFFAOYSA-N 450.551 1.313 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1359303890 DPSVMWAMCSWHDB-UHFFFAOYSA-N 492.565 1.857 30 10 JDEE C#CCN(C(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)[C@H]1CCS(=O)(=O)C1 1435069624 QPNCWUJOBPYMMI-HOTGVXAUSA-N 451.549 1.113 30 10 JDEE CN(C[C@H]1CCCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCNS(=O)(=O)Cc1ccon1 1503542939 HOZXAKLFQJWHOB-HXUWFJFHSA-N 485.570 1.930 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCOC[C@@H]2C1 1507577146 PKOHKZANJGAARA-IBGZPJMESA-N 458.588 1.130 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1507630802 HVVBLBMSRPCGSH-INIZCTEOSA-N 457.585 1.623 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)Oc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1507632284 YHDRUIGHVINXCQ-ROUUACIJSA-N 482.566 1.838 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507637059 GQLVQRYIDWWGPS-LVCYWYKZSA-N 474.583 1.917 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1ccnc1 1507660506 VZFLPQZUEUJBJZ-GOSISDBHSA-N 451.556 1.585 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1507720826 XBXAYTIRLXJFCC-RTBURBONSA-N 490.605 1.736 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC(=O)NC)CC1 1507740117 ISDFOZTVTQDIGR-UHFFFAOYSA-N 452.559 1.576 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1508092099 OVKFBWVQYVSBIQ-XMMPIXPASA-N 481.557 1.282 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H]2CC(=O)N(CCOC)C2)c1 1539042500 GXSSTEZKVCTSHV-RTWAWAEBSA-N 494.596 1.723 30 10 JDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)c1cccc(OC)c1 1539171250 JEIWNDBHIGNTIG-UHFFFAOYSA-N 481.582 1.746 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1539200787 OKMOHDRZJZUELO-KRWDZBQOSA-N 492.001 1.851 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1539212344 VHOFRIFHCXXKGY-DLBZAZTESA-N 464.519 1.328 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1539213064 VFTIQIKZUWSXRA-UTKZUKDTSA-N 452.584 1.926 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539224529 HXQKAOBDDLRDMQ-FGZHOGPDSA-N 486.642 1.247 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539230291 FTVRJFGQVHOVSR-XEYPJELSSA-N 465.620 1.112 30 10 JDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Oc3c(C)nn(CCC#N)c3C)c2)CC1 1539273721 DPAUDYWWNNDQBQ-UHFFFAOYSA-N 459.528 1.486 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1 1539416165 LBNJPOWFPIQXGP-GOSISDBHSA-N 467.979 1.399 30 10 JDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(C)=O)C[C@H]1C 1539595057 RGEAUUDNUOTGMO-GFCCVEGCSA-N 451.325 1.971 30 10 JDEE C=C(Br)Cn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539613092 ULWMYZSPBNGCQH-QFBILLFUSA-N 472.384 1.569 30 10 JDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1539706176 AVFJQCKOFFNGLV-SFHVURJKSA-N 477.610 1.373 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1540037519 NBRGIUONBUWOTB-VQTJNVASSA-N 478.619 1.492 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(COC)c1)C1CC1 1540108334 IMQRBGBGBMIVHW-HXUWFJFHSA-N 461.588 1.961 30 10 JDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1540853951 WNUHLXGVLJPGOD-OAHLLOKOSA-N 452.556 1.544 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1540871698 RFXPWOGRQIVPPT-GOSISDBHSA-N 488.614 1.208 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(SC)CCC2)C1 1540893167 YFFZBYYKUPCPIQ-IAGOWNOFSA-N 471.649 1.678 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCS(=O)(=O)N(C)C)C1 1540896892 WECNEZSCGOIPGD-FGTMMUONSA-N 498.650 1.722 30 10 JDEE CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCO[C@@H]1C 1548162594 AMJIBCFKVXXNRT-NTKDMRAZSA-N 454.575 1.938 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCNC(=O)c2cc[nH]n2)c1 1587693529 UFVTUGLNBPDXPU-SFHVURJKSA-N 476.541 1.381 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1588637303 COHQFVOFRNQCEA-CQSZACIVSA-N 456.494 1.475 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCCN2CCCO)CC1 1588946724 HUMCYNDYRFCXAL-JOCHJYFZSA-N 482.604 1.821 30 10 JDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1594825044 UYBLZMFMCNJPAT-IFMALSPDSA-N 487.649 1.372 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)c2cccs2)CC1 1595405585 RTIAXCXXQXSHLR-MRXNPFEDSA-N 465.601 1.958 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1595577280 NQTSUSBZJJFRNX-OFNKIYASSA-N 495.628 1.457 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1595811905 GRHKEWQSLZIWKV-UHFFFAOYSA-N 456.572 1.620 30 10 JDEE Cc1nc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)sc1C 1611840923 AQEWBKAHPONOKC-QGZVFWFLSA-N 479.632 1.667 30 10 JDEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1614968432 AVTODUKQZBSNSG-UHFFFAOYSA-N 476.541 1.301 30 10 JDEE N#CC1(c2ccccn2)CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 1626137240 HHAQDMUVQLRYCG-MRXNPFEDSA-N 453.524 1.166 30 10 JDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(C)CC1 1651688454 NBSAGGOWBXXSEJ-LEWJYISDSA-N 456.587 1.795 30 10 JDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(CCNS(=O)(=O)CC)s2)c1 1661505259 YDQHVNYXJCFNSN-UHFFFAOYSA-N 455.583 1.128 30 10 JDEE C=CCCn1cc(CNS(=O)(=O)c2cc3c(cc2Br)n(C)c(=O)n3C)nn1 1663554841 FKGVNQITAHQJFC-UHFFFAOYSA-N 455.338 1.286 30 10 JDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)N1CCSCC1 1689855977 GXLUJDIVQYRVBG-KRWDZBQOSA-N 473.628 1.353 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1689993580 HGLUYBKHZVIBDE-HXUWFJFHSA-N 465.583 1.400 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccnc(OC2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 1689995873 BKVSFTIDESCUFI-LJQANCHMSA-N 489.598 1.442 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCNS(=O)(=O)CC)CC1 1690115409 FJAJKZPLPQQXJD-UHFFFAOYSA-N 458.632 1.937 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1690117383 FQBHWPINHHTGRD-KNQAVFIVSA-N 455.559 1.769 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)Nc2ccccc2)CC1 1690142570 QTRQBNHFTXRXFW-UHFFFAOYSA-N 460.542 1.673 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1690302561 GZJYOSXHGSCRRE-KDURUIRLSA-N 463.560 1.350 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1690344523 SZLDMNINSYKGBV-KRWDZBQOSA-N 462.016 1.801 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCS(=O)(=O)NC(C)C)C1 1690700866 YZSJJAXTNMNNGR-XLIONFOSSA-N 477.587 1.900 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690726803 LYWLEQAQPOKKHS-UYAOXDASSA-N 487.582 1.242 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](c3ccnn3C)C2)nnc1[C@@]1(OCC)CCOC1 1690731526 KTNPNMWAZBXQDQ-XMSQKQJNSA-N 478.619 1.649 30 10 JDEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)OC 1694386217 COXCFIRTZFVHSQ-NRFANRHFSA-N 467.574 1.223 30 10 JDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1696897347 BUTLQCMIQLLINC-UHFFFAOYSA-N 453.547 1.606 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1705490347 IRRAVXXYAPOPMJ-JKSUJKDBSA-N 454.556 1.568 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCn2ccnc2C)c1 1705506688 FUKGOZQQBYQPSC-HXUWFJFHSA-N 495.609 1.832 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC(C)C)c1ccccc1OC 1705552233 WOAMAXSGKCCEHY-NHCUHLMSSA-N 491.614 1.855 30 10 JDEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1705561337 PCFAXFLWIZNPBI-ZWKOTPCHSA-N 495.399 1.750 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1705565693 JGHJZMJBGKQBNG-TZIWHRDSSA-N 485.610 1.939 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1705574048 SUOLOIWGSMNUNS-XLIONFOSSA-N 484.582 1.127 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccccc2OC(F)F)CC1 1705632728 AHXXXEPCLJQEFY-INIZCTEOSA-N 482.557 1.488 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCC3(C2)OCCO3)CC1 1705645585 YELVOFHPNNWWHQ-MOPGFXCFSA-N 475.590 1.511 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)C2CC2)CC1 1705650847 AIISUINTYSDFRL-QHCPKHFHSA-N 470.599 1.396 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(C)C1 1705700688 XGILYKNKOTUNGF-QRVBRYPASA-N 451.593 1.749 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CCNS(C)(=O)=O 1705705024 BRBZWTVDHBGMHV-QAPCUYQASA-N 454.622 1.600 30 10 JDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1705720542 FCEHGZNWVVSHSZ-SFHVURJKSA-N 450.609 1.921 30 10 JDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705821809 JDOXAEFWULSLET-CTNGQTDRSA-N 457.623 1.746 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1705827078 SSGFWVUZXJQDLB-KRWDZBQOSA-N 460.560 1.155 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(OCCOC)CC1 1705895284 AMOGBTKMSJHQIE-UHFFFAOYSA-N 467.368 1.970 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccc(Br)cc2C1 1705897587 PMNLAOQKALLYCY-GFCCVEGCSA-N 483.392 1.473 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(Nc2cccnn2)CC1 1705906306 ZPXZOBGWEFMLRJ-UHFFFAOYSA-N 453.576 1.807 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCNS(C)(=O)=O)C1 1705925075 KIYIICUVPKFLEH-GOSISDBHSA-N 498.650 1.723 30 10 JDEE COc1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)c1 1711930850 ASTQIUQKDOGZCM-FQEVSTJZSA-N 474.587 1.798 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCCC[C@@H]1C 1722293106 BORMONOKHFKZDS-UFYCRDLUSA-N 466.652 1.724 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1722333230 UFFKAWRTMPGFFF-QFIPXVFZSA-N 498.609 1.944 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1722368998 UXLCWWWGVATJKY-RYRKJORJSA-N 461.613 1.796 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCN2CCOC2=O)CC1 1722431020 DXGWQOVLGZZLNI-UHFFFAOYSA-N 485.976 1.459 30 10 JDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722630863 WCFQDYMSOFZDSF-GOSISDBHSA-N 479.607 1.275 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](OCCOC)C1 1722693378 LTKYLKCLXNBLGK-AWEZNQCLSA-N 453.341 1.580 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1722693898 DPCTVWXLZRMFGZ-HXUWFJFHSA-N 480.529 1.874 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1722702145 FPGZLHYIMGXNLJ-LJQANCHMSA-N 474.587 1.084 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@H](C)c2nccs2)CC1 1722702674 OYOZBWMUVRHYOQ-AOIWGVFYSA-N 475.619 1.644 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722702993 UJUUFEDKQSYOMD-QHCPKHFHSA-N 473.599 1.791 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1722705145 AOIQCTFRHLIRNF-UHFFFAOYSA-N 468.558 1.759 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722727213 GTRWMIFJLJYAGL-LPHOPBHVSA-N 496.611 1.405 30 10 JDEE COc1cc2c(cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N)O[C@H](C)C2 1730026176 CCAKHLGTQJKISP-ZNMIVQPWSA-N 462.576 1.864 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1740626048 VHSAFOAVKOVSFG-KRWDZBQOSA-N 491.639 1.856 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740626529 LLMYKKURCUEGQW-ZWKOTPCHSA-N 481.619 1.666 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)C2CCC2)c1 1740632295 ZHBOWKJOFSRZNX-KRWDZBQOSA-N 468.583 1.748 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCn1cccn1 1740633145 XEBHXPVESNDSBO-UHFFFAOYSA-N 450.572 1.906 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCN(C)C1 1740646859 KIHXDHYGJYSVGW-QHCPKHFHSA-N 469.615 1.076 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@]2(O)CCC[C@H]2C)n1 1740689028 NZBZPGPQIPNPEQ-WZONZLPQSA-N 450.547 1.769 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCn2cc(Br)cn2)CC1 1740690213 PQJHGIKNXWOAJX-UHFFFAOYSA-N 498.389 1.730 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1740779272 YPVMXKUAFXWFME-IRXDYDNUSA-N 467.640 1.034 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1740787082 ZQWAKUXZMZZZBC-IBGZPJMESA-N 455.563 1.819 30 10 JDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740871661 KFVLXHVCVVQZHN-UHFFFAOYSA-N 457.564 1.359 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1740876723 LSEUMIIMAOXWDO-IAGOWNOFSA-N 482.632 1.920 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncc(CC)s1 1740932163 IJLNWYKEOMDJME-INIZCTEOSA-N 452.606 1.857 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1740947195 RRATXQVSBMVKOY-IRXDYDNUSA-N 484.623 1.633 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1740985620 JZTBTDHFWLOLLF-SJORKVTESA-N 463.608 1.790 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(F)cc2)CC1 1740990562 VSLIOBNQIZWNCA-UHFFFAOYSA-N 459.551 1.745 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCc2ccccc2)CC1 1740991063 NHCQMECYDAOSSN-HXUWFJFHSA-N 472.615 1.195 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2cnccn2)CC1 1740992167 CBMKRGHMLVOPAI-UHFFFAOYSA-N 471.562 1.725 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1740993927 GEQQZKRHZXILGS-IAGOWNOFSA-N 479.628 1.876 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1748647241 LDNZATUZTBFOSZ-ZDUSSCGKSA-N 484.358 1.757 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1748667030 LVOQIKOUQDKSKH-IRXDYDNUSA-N 468.583 1.958 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCN(C(C)=O)C2)c1 1748692978 UMFUVXZPRCNCBK-PZJWPPBQSA-N 477.569 1.544 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1748751529 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C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1540865585 LGTQJRAONYWUTO-OAHLLOKOSA-N 468.377 1.633 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1540869046 ADFSPINKJOGDCZ-FQEVSTJZSA-N 467.574 1.252 30 10 JDEE C#CC[C@@H](COC)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1543469344 MEMHZGLUKYAQGX-NSHDSACASA-N 450.298 1.310 30 10 JDEE N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1544321782 AMENZTNXHRHOEC-IOMROCGXSA-N 452.536 1.985 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588025431 ZJXIGMMPZDJQDS-PMACEKPBSA-N 478.663 1.554 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1594788896 VKQRJAPZVZUCCT-GOSISDBHSA-N 460.560 1.517 30 10 JDEE C=CCCOCCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1594830457 XFQHRMXXIKPFKW-QHCPKHFHSA-N 478.594 1.097 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOC[C@H]1C 1595290621 HUNSKINRSMQNKB-GOSISDBHSA-N 467.574 1.552 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](C(N)=O)C1 1595765921 JSGWXPMLAITHMJ-QGZVFWFLSA-N 469.571 1.638 30 10 JDEE C=CC[C@]1(C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CCCN1C(=O)OC(C)(C)C 1615917527 UWEBUDNYMYBZNL-HXUWFJFHSA-N 453.565 1.588 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@](F)(C#N)C1 1618839818 GKUUOJNDTMMCBN-QGZVFWFLSA-N 487.355 1.707 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCC(=O)N2CCCCC2)cc1 1620351574 BNGKSUAEXHRDFQ-GOSISDBHSA-N 451.531 1.443 30 10 JDEE C=CCN1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)C1=O 1626246517 JXNNUGWNLUZOJC-INIZCTEOSA-N 456.362 1.749 30 10 JDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 1634781866 AYUNMMOQADYUNI-CVEARBPZSA-N 450.001 1.744 30 10 JDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCO1 1635362712 BCBYQNHUUMLVDK-YJBOKZPZSA-N 451.545 1.614 30 10 JDEE C=CCN1CC[C@@H](N2CCN(CCS(=O)(=O)c3ccc(Br)cc3)CC2)C1=O 1641803503 OLZIHAYMOKNVQJ-GOSISDBHSA-N 456.406 1.627 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccc(OCC)nn3)CC2)s1 1642057014 HOKBJBULXOUXRW-UHFFFAOYSA-N 451.574 1.292 30 10 JDEE C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1643120561 PXIAPXPUVOOREX-NQIIRXRSSA-N 464.588 1.179 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 1644281535 FFDWUTHBSUGZCR-UHFFFAOYSA-N 457.512 1.432 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCN(CCC)C(=O)C3)nnc12 1650946015 YQGJYGVETOUMMW-UHFFFAOYSA-N 454.556 1.793 30 10 JDEE C=CCC[C@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 1656377399 SNGPDNZAAGYYRY-SFHVURJKSA-N 451.589 1.967 30 10 JDEE C#CCN(C(=O)NCCS(=O)(=O)C1CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1681278661 GDOUZIQRURYOPM-UHFFFAOYSA-N 457.593 1.625 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C(=O)NCC)CCC1 1689836158 ZMVIKIPCEKJRJV-QGZVFWFLSA-N 472.615 1.960 30 10 JDEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCOCCOC)[C@H]1CCS(=O)(=O)C1 1689988516 QUEPGTAROLSDCM-SFHVURJKSA-N 471.583 1.727 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1C1CCCCC1 1690077470 PKOBUSPCDJNVAB-SFTDATJTSA-N 478.663 1.868 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCS(=O)(=O)CC2CC2)CC1 1690133510 KBQGICNXOMVWKP-UHFFFAOYSA-N 461.563 1.576 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)N2CCCCC2)CC1 1690141755 BSCIEOHSBKCZLY-UHFFFAOYSA-N 452.607 1.909 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1690632934 YNSOXKLRLMUOLW-QGZVFWFLSA-N 459.532 1.651 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(C)C)CC1 1690662985 IJPBDYPSVAVHER-UHFFFAOYSA-N 460.604 1.429 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOCC2(CCC2)C1 1690663506 YWCMXPDVYFNCOT-UHFFFAOYSA-N 459.572 1.658 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1690670797 JADGEFQDURKKQN-INIZCTEOSA-N 496.634 1.318 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1690674768 DUGPZTVAFFOOLA-OPAMFIHVSA-N 474.587 1.346 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1690675007 NJUSWFCLXQZULI-SFHVURJKSA-N 465.558 1.192 30 10 JDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690675016 NNRWQXWSTIQEHS-OAQYLSRUSA-N 466.586 1.583 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3nc(C)cs3)CC2)nnc1[C@@]1(OCC)CCOC1 1690678236 PECSOQVFSKLVES-OAQYLSRUSA-N 461.592 1.324 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCNC(=O)CC1 1690715115 DDEFYCCFTYVYRV-GOSISDBHSA-N 461.588 1.962 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1690717320 BTZJEYUANMRBFN-INIZCTEOSA-N 453.952 1.151 30 10 JDEE Cc1noc(C)c1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1693532970 FHSYYJXKURSVMJ-NRFANRHFSA-N 499.597 1.967 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)CCOC 1705495417 PPROUJNSILIWII-PNLZDCPESA-N 451.568 1.832 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CCS(=O)(=O)CC1 1705545166 RRLXXWNDUSWNAH-UHFFFAOYSA-N 465.601 1.090 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(NC(=O)C2CCC2)c1 1705552260 WUNYHYASYSGLSY-FQEVSTJZSA-N 486.598 1.467 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1705570548 RGDWKHBXCRPJFP-OAQYLSRUSA-N 456.616 1.623 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC1 1705620572 XUANXFSTQBCYNV-ICSRJNTNSA-N 477.562 1.426 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1705650696 WTEHEMSCRWWSDC-LEWJYISDSA-N 452.559 1.281 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1705650782 YKLQUAOTGXSIOZ-JOCHJYFZSA-N 492.672 1.503 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCC(=O)N2)CC1 1705650895 BRLOSCGDNBHQNB-QGZVFWFLSA-N 454.506 1.241 30 10 JDEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1705652370 WYVOZHQHULFXAZ-ROUUACIJSA-N 455.650 1.789 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705933268 ZVBLHKMQHAYADI-UHFFFAOYSA-N 478.594 1.332 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](CC)C1 1705936040 IMVPDUWGFYCALC-ROUUACIJSA-N 499.634 1.803 30 10 JDEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1706931995 AATJBPDYEKECLC-NRFANRHFSA-N 454.556 1.887 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(CC)CC)nc1 1722295993 MSJLHLXENDRAJE-HKUYNNGSSA-N 475.619 1.358 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722371700 KXUVVOROCNYXOC-KRWDZBQOSA-N 451.593 1.772 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NC1CCCCC1 1722378705 HVZABBIUTHPSTO-UHFFFAOYSA-N 467.599 1.760 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC)c(OC)c1 1722384220 OLAWKTTUQRBMMV-OAQYLSRUSA-N 487.582 1.139 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2ccccc2OC)CC1 1722437696 PDIVHHMPPLRFBV-RTBURBONSA-N 473.599 1.412 30 10 JDEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1 1722485659 PLXQDHCFPVNYJZ-ZDUSSCGKSA-N 471.356 1.431 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cscn2)CC1 1722616791 COCDCWHSFQVHTF-GOSISDBHSA-N 481.648 1.356 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(SC)c1 1722672159 LJPONMDKMDVATM-KRWDZBQOSA-N 464.617 1.955 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1722697347 IHUGSGZOWGCZHA-CTNGQTDRSA-N 480.617 1.459 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2F)CC1 1722699280 TZMWLNDINPSNMB-OAHLLOKOSA-N 480.541 1.087 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)C[C@H](C)C(=O)NC 1722726971 HLVKVCMPMQTVMI-INIZCTEOSA-N 458.588 1.856 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1722750776 OFQWTSZGCHBAJW-ROUUACIJSA-N 495.627 1.164 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1722767368 GCSCDQRORKJPLQ-FCQUAONHSA-N 469.590 1.984 30 10 JDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCc2ccc(S(N)(=O)=O)cc2)n1 1726056378 DKTUOZRZABHGMW-NRFANRHFSA-N 472.550 1.472 30 10 JDEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740568075 YWBNUIPAOJMQCA-AEFFLSMTSA-N 454.506 1.508 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCO[C@@H]1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740615529 GNXFSSZDZJVSFA-HSALFYBXSA-N 477.631 1.736 30 10 JDEE C#CCN(c1nnc(C2CC2)n1CC1(NC(=O)OC(C)(C)C)COC1)[C@H]1CCS(=O)(=O)C1 1740623645 YGEJYGPCYNVBCU-INIZCTEOSA-N 465.576 1.076 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1740628845 VHQWQVRXXGDPKW-MBSDFSHPSA-N 490.582 1.298 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC[S@@](=O)CC 1740639188 SQNMBELJHSTFPH-YTTGMZPUSA-N 450.568 1.906 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCCn2cnnn2)CC1 1740707557 HDKHZNYIINNHGP-UHFFFAOYSA-N 463.546 1.208 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1740707790 PRUGZNGWTMWWCM-FCHUYYIVSA-N 467.570 1.671 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1740710339 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CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1741675508 BNSBFBZQPHCAAS-OKYOBFRVSA-N 481.605 1.997 30 10 JDEE CNC(=O)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1748073655 CPNCLNCHHBEIMB-MRXNPFEDSA-N 485.614 1.826 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1748293291 GFKXCMRZYNPWFB-MRXNPFEDSA-N 460.560 1.140 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1748665852 VZFSWESQELFVHL-MRXNPFEDSA-N 484.582 1.073 30 10 JDEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1748809530 UYSWGEXIXQXWSH-SQJMNOBHSA-N 485.654 1.936 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(Cl)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1748816410 ZSAGRHXLTBOXBV-RDJZCZTQSA-N 477.974 1.566 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1748864549 ZDNFIHHAPQWMLR-PMACEKPBSA-N 488.614 1.326 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC[C@@H](C)C2)CC1 1749015108 SERDLJJVZUMDCL-HBFSDRIKSA-N 492.646 1.013 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1749109021 APWGWVQHPAXDMW-HNNXBMFYSA-N 487.424 1.313 30 10 JDEE C=C(Br)Cn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1749112054 AFAVYYODRLISGY-KDOFPFPSSA-N 455.357 1.441 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(Cc2ccccc2)CC1 1749193414 IATFOUAQKYUZQI-NRFANRHFSA-N 474.631 1.899 30 10 JDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1749456299 ATARNQCSOCOYSH-NRFANRHFSA-N 460.623 1.899 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncn(-c2ccccc2)n1 1749599895 NRPHVQBNRMHKDR-QGZVFWFLSA-N 457.560 1.448 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CCCN2CCOCC2)CC1 1749670557 TVTKKAMOOLHYPX-OAQYLSRUSA-N 460.623 1.803 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1749676747 BVVBYGKXQCDPDW-FQEVSTJZSA-N 472.615 1.370 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[C@@H]2COCCO2)C1 1749695907 LSPSILQJFYMZQV-VQTJNVASSA-N 491.614 1.782 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccc(OC)c1)N(C)C 1760116741 JPMBFYHTFWOAOR-DZFGPLHGSA-N 490.630 1.380 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1760191136 BKKPPPYFZHEEFL-IBGZPJMESA-N 471.583 1.318 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCO[C@@H]1CCOC1 1760200690 RSXCOTKSOSILNN-GOSISDBHSA-N 456.572 1.507 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCC(=O)N1CCOCC1 1760241376 YBSAUYLQCJTJQB-UHFFFAOYSA-N 451.506 1.706 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1 1760241620 FNUCNSGXSJWMBB-FQEVSTJZSA-N 487.561 1.172 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(F)cccc2Cl)CC1 1760266449 ZGYAWOJEFSJVDP-AWEZNQCLSA-N 496.996 1.695 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1760518384 SSZGFTJAAUFUIT-KRWDZBQOSA-N 468.558 1.760 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H]1CCCOC1 1760523227 QFNWBKVEHCLOBV-INIZCTEOSA-N 461.592 1.403 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cccc(C(=O)N(C)C)c2)C1 1760541606 FHLRVSGCJZWEHI-UXHICEINSA-N 452.559 1.955 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1760558041 DOUURESUKOYHII-SFHVURJKSA-N 475.571 1.661 30 10 JDEE C[C@H]1N(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CCOC1(C)C 1763266058 CJEGKZMQUZJISP-MRXNPFEDSA-N 464.530 1.886 30 10 JDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1769547780 BGTGGRLSOHBFTK-RXFWQSSRSA-N 495.628 1.737 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCCOC2)C1 1771360278 ACUAOGKZOVCZSR-ZWKOTPCHSA-N 452.581 1.168 30 10 JDEE C/C(=C\C(=O)N[C@@H](CO)C(=O)Nc1cccc(C#N)c1)c1cccc(S(=O)(=O)N(C)C)c1 1867078830 UVYHSYAHNHYUKN-XIJQHFHMSA-N 456.524 1.328 30 10 JDEE N#Cc1nnn(-c2ccc3c(c2)OCO3)c1NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870155352 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CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2284117179 CZNBQGKUPLQIOD-XIRDDKMYSA-N 466.315 1.405 30 10 JDEE CC(C)(C)OC(=O)NC1CN(CC(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2285190312 RNRBHANSSLFHQX-UHFFFAOYSA-N 463.359 1.950 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](C)C[C@@H](NC(=O)C(F)(F)F)C2)n1C 2362482945 KMDDKRDVSKAUIH-DGCLKSJQSA-N 458.290 1.557 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)cc2C1=O 26541762 PWFXKOWDIGOYML-UHFFFAOYSA-N 469.519 1.624 30 10 JDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@](=O)CC(=O)Nc3nnc(COC)s3)cc21 586352278 QSISMKUKJLMSNL-CGRYZCQKSA-N 478.552 1.555 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1-c1ccccc1C#N 604002650 DXQNQPSFSZQCMT-UHFFFAOYSA-N 497.515 1.296 30 10 JDEE COc1ccc2cc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ccc2n1 609002488 SDERKGROWKYNLI-UHFFFAOYSA-N 479.518 1.587 30 10 JDEE C#CCN(CC1=C(C(=O)OCC)[C@@H](c2ccc(Cl)cc2)NC(=O)N1)[C@@H]1CCS(=O)(=O)C1 731213026 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C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1689990335 NTNCDKYZLJXPED-QWZAPTKDSA-N 478.596 1.186 30 10 JDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cc(F)ccc1N1CCOCC1 1690025175 HNZBWZFGTXVYAV-UHFFFAOYSA-N 450.518 1.497 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN1CCCO 1690089430 AQOKBKGAQHBPCT-LEWJYISDSA-N 454.550 1.855 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCOC[C@@H]2C)CC1 1690137380 WVEXWAQCIRJQTP-PKOBYXMFSA-N 465.558 1.564 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCCN2CCOCC2)CC1 1690152806 YFNHGBJAKMCMIW-UHFFFAOYSA-N 480.613 1.854 30 10 JDEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690744330 MXQLVZOLWHJUCR-QGZVFWFLSA-N 450.609 1.612 30 10 JDEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(N(C)C)CCSC1 1696841894 HWRKGMMTBWEPJR-OAQYLSRUSA-N 478.644 1.647 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCCS1(=O)=O 1705503899 HWXJDDNHYXZLII-ZACQAIPSSA-N 466.608 1.542 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1nnc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 1705567607 XPTLYKJFHHFRSH-HOTGVXAUSA-N 478.644 1.996 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCN1CCCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705569807 KDTASXGGOQIJAR-IRLDBZIGSA-N 486.642 1.392 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1C 1705626619 CPFRHAQUMQFOSR-ZWKOTPCHSA-N 450.543 1.951 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCNC(=O)OC(C)(C)C)CC1 1705637254 OSBZJZPPIRSQNV-UHFFFAOYSA-N 454.531 1.954 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@]2(O)CCOC2)CC1 1705645016 ITXGNAIHZPHVLX-AFMDSPMNSA-N 497.596 1.934 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCNC(=O)C2CC2)CC1 1705651273 PYXNNUCWVGENFE-UHFFFAOYSA-N 464.570 1.658 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705714407 PRNRVDFPOYBPPF-QGZVFWFLSA-N 495.675 1.922 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1705895332 BXDFWJYJJUIOSB-CQSZACIVSA-N 464.368 1.833 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(=O)OC)C1 1705902381 CZRUQFYOYOKIHK-IAGOWNOFSA-N 476.578 1.694 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC(C)CC2)CC1 1705904746 XHLXYWWQGPYQRX-XBMUEBEBSA-N 464.636 1.183 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1705936749 XUTKDRVVSPCIFO-MOPGFXCFSA-N 463.608 1.508 30 10 JDEE CN(C[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC2)C1)S(C)(=O)=O 1711149040 AWTYYPZIVNKGPT-VQTJNVASSA-N 488.614 1.873 30 10 JDEE CNC(=O)CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1711382518 BXZVSHLFFHMAAL-IBGZPJMESA-N 474.587 1.658 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCCn1cc(Br)cn1 1722274916 AQHDKENMNIZCLQ-ZIAGYGMSSA-N 472.413 1.786 30 10 JDEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1722370353 NMDSKGCDSOOZKM-GOSISDBHSA-N 496.680 1.940 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CC=CCC1 1722375907 UJELJOQWOBCWHE-UHFFFAOYSA-N 452.584 1.530 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)c(F)c1 1722390771 UPGMTRJUGUWDHG-GOSISDBHSA-N 488.589 1.375 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1 1722462807 YBHCWKQRMUZXPH-MRXNPFEDSA-N 464.592 1.279 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1722565934 FYKOLHLDOSEUOM-WOJBJXKFSA-N 466.652 1.888 30 10 JDEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCN(C(C)=O)CC2)CC1 1722576417 NQYPOEAXAAXPBP-UHFFFAOYSA-N 486.642 1.915 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722696858 FUHNNDSOBYWCFY-MRXNPFEDSA-N 456.528 1.526 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2ccco2)C1 1722737013 PXGNFHSPLAFJGS-UHOSZYNNSA-N 466.560 1.774 30 10 JDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)C1 1730996324 GAFPYLDBXYTZDQ-GOSISDBHSA-N 458.544 1.672 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1COC(C)(C)OC1 1740574742 MXCJDAXGQUSKCE-GOSISDBHSA-N 469.608 1.250 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1740618093 BYUVUKIPFNQRML-VIZSFHNOSA-N 480.631 1.906 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCS(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1740618210 FBCMSOWFAXTKFU-KRWDZBQOSA-N 486.019 1.117 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCN(C)C1 1740656210 IOBRNJPAJSFJBQ-YADARESESA-N 472.590 1.116 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N1CCOCC1 1740671568 JZTCKDHPBHTSEO-RTWAWAEBSA-N 457.600 1.713 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@@]1(O)CCS(=O)(=O)C1 1740682572 AGVODPUQADRZPP-IBGZPJMESA-N 483.388 1.343 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1740684394 PSYNMEQDDFLIHF-YADHBBJMSA-N 466.586 1.697 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(F)c2)n1 1740688184 BGFLYNHMFCZWRH-LJQANCHMSA-N 486.573 1.850 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2([S@@](C)=O)CCC2)CC1 1740701199 XWKFFHKMRVEUFM-UUWRZZSWSA-N 483.598 1.192 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(C(=O)NCC)c2)CC1 1740706024 PUFOHRHGQSRGSS-NRFANRHFSA-N 464.570 1.546 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1740709039 IMNFCGQZCRZVAF-CEXWTWQISA-N 498.719 1.580 30 10 JDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740720240 YUDGETMHVAHGAN-UHFFFAOYSA-N 465.583 1.831 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740724264 ZQHVTLVRTUKUPY-YHEJKZAPSA-N 476.603 1.183 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1740821080 CLGONKVQKNDRKS-CABCVRRESA-N 476.987 1.078 30 10 JDEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)(=O)CC1 1740821404 GHACIJVKGCJSBJ-CQSZACIVSA-N 461.972 1.574 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCO[C@H](C)C1)C1CC1 1740910477 OGPLJIMNBPMUPC-AOIWGVFYSA-N 453.609 1.971 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)COC2 1740932736 UWJKCDOXMUEOLK-HXUWFJFHSA-N 459.572 1.868 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1740990745 FABYEPZDCXNNPV-LAUBAEHRSA-N 454.593 1.895 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1747441436 HAIXDMRFWNMFOM-QZTJIDSGSA-N 457.560 1.003 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2(S(C)(=O)=O)CCCC2)c1 1748692767 NUIYYUNWJPCWNS-LJQANCHMSA-N 498.609 1.643 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1748802070 KRTSMJMKGVZBBL-RCCFBDPRSA-N 451.593 1.104 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 1748818397 ZLDYPXLVMOETCP-RTWAWAEBSA-N 490.651 1.666 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1748820362 AHUPDAIEOHZUGG-PGRDOPGGSA-N 476.624 1.394 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccn1 1748892579 RVMJDZGSADBBTM-IBGZPJMESA-N 470.599 1.447 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCS(=O)(=O)CC 1748922576 DCNJHFRFTFPNML-UHFFFAOYSA-N 456.572 1.959 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1748995019 WKVFRTAUKUQXGN-SZPZYZBQSA-N 454.623 1.394 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(C)(C)C(=O)NC)CC1 1749014445 JZPFGCJUMUPRTD-FQEVSTJZSA-N 480.569 1.529 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ncc(CC)s2)CC1 1749014721 MMGPWOHJLNYNQE-MRXNPFEDSA-N 476.628 1.213 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1749015493 XNWMNUZJOQSPPM-QGZVFWFLSA-N 464.636 1.114 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](COC)C1 1749032267 AFQIMRRTPKQUFL-IRXDYDNUSA-N 468.583 1.799 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CS(C)(=O)=O)c1 1749053318 GDUZRQMPWBXZLC-HRAATJIYSA-N 479.628 1.473 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 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C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCC(C)CC2)CC1 1722690970 NKKPVKMMJRFFDJ-UHFFFAOYSA-N 466.590 1.928 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1722695321 ZQZSIGVAMRLEIM-ICSRJNTNSA-N 457.531 1.649 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1722727037 FLLWXSOIEWQINU-HRAATJIYSA-N 450.536 1.620 30 10 JDEE C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1)Oc1ccc(F)cc1 1723816151 DZCFWDHIRHHHBI-LPMFXHHGSA-N 454.503 1.937 30 10 JDEE CN(C)CCN1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)CC1 1729337098 FLDMRXOJUHMHOH-UHFFFAOYSA-N 480.617 1.281 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1740615367 BWFHAUFUOBFNBA-INIZCTEOSA-N 499.622 1.814 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C/C=C/c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740617795 XKVQNFRKWRYGCZ-ZNOOQZCJSA-N 477.612 1.228 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1740622331 XIYGADHPRXIUBD-FQEVSTJZSA-N 461.636 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CC1(C)OB(c2cncnc2C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)OC1(C)C 2282182218 PUYHLMINGCVCIN-IBGZPJMESA-N 452.364 1.797 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C2(CCC2)C1 2282185183 CVTRRJIKXLYRBE-AWEZNQCLSA-N 461.372 1.776 30 10 JDEE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2282189151 GHUGLQVJAXNUDO-JOCHJYFZSA-N 461.324 1.575 30 10 JDEE CCCN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282353126 FAXAZCJIHLLHBL-UHFFFAOYSA-N 484.428 1.739 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N1C[C@H]2C[C@H]1CN2C(=O)C(F)(F)F 2282410920 YLPJHTHHFUWKSI-CABCVRRESA-N 474.310 1.830 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C1CC1 2282414657 VZLXGFXSWNAOTC-OAQYLSRUSA-N 484.428 1.691 30 10 JDEE C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282497474 QEDRSUOQMSDAFP-YLJYHZDGSA-N 474.436 1.908 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)n1 2282547297 QBDRJLJEUHVOPD-LJQANCHMSA-N 454.380 1.740 30 10 JDEE Cc1c(C(=O)N[C@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282548541 YWRIZNZQKWTYEM-CQSZACIVSA-N 464.372 1.128 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2282857527 JKYRFMPHTOJATA-OAHLLOKOSA-N 484.428 1.787 30 10 JDEE C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2283946110 JTOLPHCJMGLBDD-YOEHRIQHSA-N 461.368 1.932 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](C(=O)O)[C@@H](C)OCc1ccccc1 2284429785 KERPLFAAKAMAIM-QAPCUYQASA-N 457.336 1.991 30 10 JDEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)CCO2 2288586302 OPUUKORGZKABFA-UHFFFAOYSA-N 459.352 1.843 30 10 JDEE NC(=O)CSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(F)cc3)n2)s1 20833280 QHKPHDMJFXDNTE-BLLMUTORSA-N 467.537 1.550 30 10 JDEE Cn1c(=O)c2[nH]c(Sc3nnc(N/N=C/c4c(O)ccc5ccccc45)[nH]3)nc2n(C)c1=O 104453842 RURYRIGRAAQKOJ-ZVBGSRNCSA-N 463.483 1.534 30 10 JDEE COc1ccccc1NC(=S)NN=C1C(=O)N(C)c2ccc(S(=O)(=O)N3CCOCC3)cc21 254866156 APOQCZWNUWXIJP-UHFFFAOYSA-N 489.579 1.383 30 10 JDEE Cc1nn(-c2ccccc2)c(N(C)C)c1C=NNc1nnc(SCC(=O)NCc2ccco2)n1N 1084326923 KFDHGMNFKOWRND-UHFFFAOYSA-N 494.585 2.000 30 10 JDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)C2=O)cc1 1156591798 HIRAMCILAWWMMQ-QZTJIDSGSA-N 458.565 1.690 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)c1 1157169219 KXLGFPDDEVBQFA-ROUUACIJSA-N 451.545 1.661 30 10 JDEE CS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1F 1189887626 AMVVXRCJJYHNAU-KRWDZBQOSA-N 451.501 1.180 30 10 JDEE Cc1ccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1S(=O)(=O)NC1CC1 1216290786 DXCPDKCMETYNJP-HNNXBMFYSA-N 455.544 1.840 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1SC 1286296796 ROFAOBXVGFMHMA-YOEHRIQHSA-N 467.592 1.978 30 10 JDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1286354252 JIYLYQTYACEDOI-UHFFFAOYSA-N 468.587 1.230 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1286387543 SDNKSDYICIFOEF-NMEJYPJZSA-N 476.624 1.882 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1286392764 NQMUPFHZXYGXPE-PKOBYXMFSA-N 480.537 1.951 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1286396546 GFDNSSDBDYOXRV-HOTGVXAUSA-N 457.556 1.341 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1286420981 VLDWZPYTKDBHQZ-RTWAWAEBSA-N 498.653 1.620 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1286471008 FNOGJAIGEOJOQO-VQTJNVASSA-N 484.576 1.807 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCOCCOC)CC1 1286479101 FNOXBTCQXVMRPW-FQEVSTJZSA-N 492.621 1.395 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCC2(O)CCOCC2)CC1 1286489841 FXXYECGZAIPDJD-UHFFFAOYSA-N 467.570 1.851 30 10 JDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1286504744 SRUWOKBGARKHAK-UHFFFAOYSA-N 481.626 1.647 30 10 JDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286609439 LUKWOEGRSFRIHC-FQEVSTJZSA-N 453.547 1.623 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1286620194 GZZZXSQSSLTMLY-ZDUSSCGKSA-N 470.943 1.271 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1286820723 PXERKLAIHGFGTR-MOPGFXCFSA-N 467.636 1.462 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)Nc1ccc(F)cc1 1288524431 COZJFNJOILHATO-WMLDXEAASA-N 479.538 1.127 30 10 JDEE CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)N2CCOCC2)cc1OC 1294939851 DZASVVSCYWAWJJ-LJQANCHMSA-N 484.557 1.720 30 10 JDEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)C1 1299348529 BACYLIVOUHDPBT-JTUHZDRVSA-N 455.515 1.658 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(F)F 1300465515 NZWOOOYMPMQRJA-MRXNPFEDSA-N 455.487 1.330 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 1300482738 GVWNSVHXFHKZIP-MAUKXSAKSA-N 468.526 1.955 30 10 JDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1300653363 KWQRAWZNRDYFRG-BZSNNMDCSA-N 498.650 1.620 30 10 JDEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1300990854 IJUXYLDZIUYPIG-IBGZPJMESA-N 481.557 1.219 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1301474974 JNFCPTSBANBCHL-UHFFFAOYSA-N 465.558 1.169 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1301485554 YEDZGTUEHCNJPB-KRWDZBQOSA-N 499.597 1.801 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1301515891 ZTBMXRQOMIXDPD-UHFFFAOYSA-N 458.538 1.993 30 10 JDEE C=CCOc1ccccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C(=O)NC)C1 1301531773 WXVIUDRYVXDFEG-IBGZPJMESA-N 496.593 1.834 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 1301554925 PRSDAUIRLOEMKD-MOPGFXCFSA-N 459.572 1.603 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1301589696 WJYWSJKXBSQPOH-GBESFXJTSA-N 486.660 1.424 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1301595672 ZMSRUCLYRWPNBA-ZIAGYGMSSA-N 470.587 1.880 30 10 JDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1358908216 PLUFMEKIFGORKW-LJQANCHMSA-N 454.560 1.738 30 10 JDEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1358935011 SVUKMBIJGPZJNT-UHFFFAOYSA-N 480.569 1.596 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1c(F)cccc1F)N(C)C 1358949338 ZATJWKFCOQWDOQ-QZTJIDSGSA-N 482.557 1.262 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCOc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1358962472 QKNSHXSDUFJNTP-HKUYNNGSSA-N 457.556 1.243 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1358967674 PTHVLOMMFVXNIH-FJIDUMEYSA-N 454.618 1.524 30 10 JDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCCS1(=O)=O 1359009299 MFRATZPZMXOZGH-LJQANCHMSA-N 457.604 1.879 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1359036297 SNAPXWMJWCNVDA-LAUBAEHRSA-N 497.543 1.386 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1359040381 SAKLWPFRUHAJDR-AZUAARDMSA-N 458.607 1.977 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1359047871 WOPBZHFXAMCBAL-FCHUYYIVSA-N 483.569 1.371 30 10 JDEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1359055002 PPKWAYUHLCJKLL-LJQANCHMSA-N 495.609 1.383 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1359333749 INTGQRHKMHOWAN-OALUTQOASA-N 461.563 1.856 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1359336406 OXAVYAIBVBLTNO-HXUWFJFHSA-N 488.614 1.491 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(C)(C)C1 1359343320 QNLZVRSQMYRCKW-HNNXBMFYSA-N 461.679 1.862 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CCOCCN(C)C(=O)OC(C)(C)C)cc1 1453555565 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FSUJSGYCNBEZFH-MSOLQXFVSA-N 453.609 1.466 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1508073946 ZQMHKVPJIIDOHH-UHFFFAOYSA-N 474.569 1.858 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(c2ncccn2)CC1 1508075113 OMQFEWMGHXGXFA-QGZVFWFLSA-N 466.521 1.976 30 10 JDEE COc1ccncc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1518535989 IDAWOBHWEREQIX-UHFFFAOYSA-N 461.530 1.461 30 10 JDEE CN1CCC(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)(N2CCOCC2)CC1 1528549717 GCMRUOYPJCXJHA-SFHVURJKSA-N 459.978 1.477 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(NC(C)=O)c1 1539015052 NRDWJVSHRQLENW-HNAYVOBHSA-N 460.560 1.076 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1539053357 QAISUWRPXDTQFJ-QZTJIDSGSA-N 460.608 1.587 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539215880 KWWRESSSQXBCHZ-BJLXPSRBSA-N 463.629 1.822 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1539223102 ZDDLYUAJYQWFIH-OALUTQOASA-N 459.572 1.641 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OC(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1539230983 NGDUKUBWAWFCEI-RBUKOAKNSA-N 459.572 1.987 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)C)CC1 1539916572 LMWDTCFOJHFGLI-GOSISDBHSA-N 454.641 1.744 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1540201202 QDVVBJJKBBCJFT-LJQANCHMSA-N 471.587 1.961 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 1540869250 GVNLQPMBOHCLAG-RTBURBONSA-N 456.522 1.856 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1540872829 BNMDRVGSPLJJDU-GOSISDBHSA-N 450.547 1.123 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@H](N2CCCC2=O)C1 1540903261 AHTNWNMXMOKRCT-IBGZPJMESA-N 473.599 1.679 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccc2F)n1CCC(=O)N(C)C 1544581927 BYTZSKSULKMPFQ-MRXNPFEDSA-N 463.521 1.939 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O 1566409397 CPOHBFRVUWGZGI-OAHLLOKOSA-N 456.528 1.189 30 10 JDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(N2CCOCC2)nc1)[C@@H]1CCS(=O)(=O)C1 1588029689 KRKHGYDVDOIPFA-AZUAARDMSA-N 472.615 1.698 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588035595 VTRXIIZBHOSMBW-UGKGYDQZSA-N 487.626 1.929 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn(C)c1C 1588595457 VABTXWNAXBFIHV-UHFFFAOYSA-N 471.587 1.372 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@@]2(C)CCCO2)n1 1588695441 HPVMWOMZVLKBIS-HSZRJFAPSA-N 455.563 1.566 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2N(C)CCCC2(C)C)CC1 1588885256 UBQVLWILESXSCJ-LJQANCHMSA-N 457.623 1.503 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(CN(C)C)c2)CC1 1588923694 JFYWKGUFHHMIPQ-UHFFFAOYSA-N 458.570 1.811 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1594679933 KHVDUNXCGZHJKY-MRXNPFEDSA-N 464.567 1.956 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@](C)(CC)C1 1595551050 KXXIAGCHKWYYKW-UZUQRXQVSA-N 478.594 1.894 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1595766674 VSEQPOYGXQRUSB-SFHVURJKSA-N 477.587 1.668 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1595785148 RLAOXKGQHNKBMV-QGZVFWFLSA-N 462.507 1.954 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1595788725 HYABQWNBDUCLJS-UHFFFAOYSA-N 479.628 1.576 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1595823250 MMHUECIZZIEWHQ-QHCPKHFHSA-N 473.599 1.791 30 10 JDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1595866529 OCUPIDFZRXCAON-UHFFFAOYSA-N 458.636 1.732 30 10 JDEE CCCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1614979421 HYSNNJLJLHPOST-UHFFFAOYSA-N 461.574 1.789 30 10 JDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)O)C1 1619882648 GBRIXSGBFKVJCL-IBGZPJMESA-N 476.603 1.464 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCC[C@H]2CCCCO2)C1 1620170376 AQUHQUDNWWIDEC-UWVAXJGDSA-N 470.571 1.402 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)c1 1629271324 NPDIHFVQDNLCIU-UHFFFAOYSA-N 459.524 1.641 30 10 JDEE N#Cc1ccc(OCC(=O)Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)cc1Br 1630572985 HPNCISQBJSCWAY-UHFFFAOYSA-N 451.302 1.904 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(C3CC3)[C@@H]2c2cccc(OC)c2)CC1 1632624596 VEIXOXUFEFWZNM-ZJSXRUAMSA-N 452.555 1.031 30 10 JDEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2ccc(I)cc2Cl)c1=O 1643557531 NAKAJDHSIRNBAA-UHFFFAOYSA-N 459.671 1.850 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C#N)o3)C2)CC1 1660924930 BKMSCBCIQLFOQP-HNNXBMFYSA-N 452.533 1.631 30 10 JDEE C#Cc1ccc(NC(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cc1 1675409302 KVRIGICFVGGEAH-UHFFFAOYSA-N 455.540 1.438 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1689998639 SAHROMRSIPNTJC-FHWLQOOXSA-N 475.571 1.081 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1690113413 JAZWWAIOPSQIEZ-IRLDBZIGSA-N 470.643 1.857 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1690114993 NSOAGMVNMXFOQV-ZZEZOPTASA-N 499.373 1.317 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCOC)CC1 1690136608 HRJKGCYPNFTFLQ-UHFFFAOYSA-N 472.977 1.864 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COCC)C1 1690245424 IDTXZCMWCXJHMC-BQJUDKOJSA-N 497.662 1.845 30 10 JDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1690350946 BVMBNBJWOMUVCS-UHFFFAOYSA-N 450.956 1.860 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1690722390 HSOPEVQZZKYEBY-UHFFFAOYSA-N 470.481 1.515 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705490162 CZPRFRZRGUXCDV-ROUUACIJSA-N 497.625 1.804 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCO[C@@H]1C 1705574854 PFNIPLWTOJEKPX-VGOFRKELSA-N 456.572 1.159 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)CN1CCOCC1 1705574979 UUQODYWOHDACGZ-LJQANCHMSA-N 483.642 1.588 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC(F)(F)C1 1705582654 GQSFVPIKBSYFCD-ROUUACIJSA-N 469.558 1.899 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)c(F)c1F 1705612617 KQQOBCPZOGUPCB-MRXNPFEDSA-N 471.505 1.731 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCOCC1 1705620546 XBGDIAJXQAEIKE-AZUAARDMSA-N 475.590 1.680 30 10 JDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NCCOC)CC1 1705658934 GBXFSTHRJLUQSJ-UHFFFAOYSA-N 474.587 1.351 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CC(=O)N1CCOCC1 1705860450 HZRRNSUVVZXNTP-UHFFFAOYSA-N 463.542 1.324 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1705897582 PCAIWFZZMQWDLA-OAHLLOKOSA-N 465.551 1.873 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1705906448 FQIWNZNZOMTCSE-NQIIRXRSSA-N 470.574 1.325 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](n3cncn3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705908796 HQPVRDBIEJLWNH-FGTMMUONSA-N 485.593 1.784 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1705936195 LLZPKZGUZPUAAJ-GVDBMIGSSA-N 469.608 1.732 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN(C)Cc1ccccc1 1706870727 HPLQEDOGYXHPOS-UWJYYQICSA-N 463.583 1.852 30 10 JDEE N#Cc1cccc(-c2nnc(N3CC[C@@H](NC(=O)NC4CC4)C3)n2CC(=O)NCC(F)F)c1 1712878035 CCHZMTJIRIPDID-MRXNPFEDSA-N 458.473 1.238 30 10 JDEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(OCC(F)(F)F)c2)CCO1 1712883887 BQAPLNMEKDGZTG-RDJZCZTQSA-N 485.488 1.898 30 10 JDEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1722320636 FFPFLEXPQIWQJR-UHFFFAOYSA-N 492.584 1.436 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722367752 OADQOBTXNIQBNT-MKXGPGLRSA-N 484.644 1.012 30 10 JDEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCOCCS(C)(=O)=O)CC1 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460.622 1.176 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCO[C@H]1C 1740919976 YXERMFQDARSFKT-CKJXQJPGSA-N 467.567 1.760 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C 1740926737 JZNLFGRMUWOWPO-PZJWPPBQSA-N 478.601 1.186 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1740961397 BCKKCVVLERRZOY-AUSIDOKSSA-N 497.619 1.689 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1 1741055945 VDEZQSOXCHESFI-LSJZCYCUSA-N 497.531 1.580 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1748819038 IWFCNJKCKBGIIO-OFNKIYASSA-N 458.584 1.610 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748820432 BPOWNECQKQNRMZ-GMAHTHKFSA-N 485.654 1.801 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(S(C)(=O)=O)CC1 1748868766 HWWRSQXDINRZTP-UHFFFAOYSA-N 488.639 1.587 30 10 JDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 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1749663832 RUTDJHHTHOTNGI-UHFFFAOYSA-N 491.600 1.358 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1749740754 JKKODTWJFGDWSM-XLIONFOSSA-N 450.565 1.216 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCCC2)CC1 1749744456 KXBKIBIKEYJANA-INIZCTEOSA-N 470.665 1.646 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccnc(OC2CCOCC2)c1 1751215882 BGOKJUNIPUKJEB-YCRPNKLZSA-N 493.565 1.331 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1760182307 IARJBHDLNRXGDV-SFHVURJKSA-N 482.541 1.934 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C[S@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1760187757 FWMRBSRTKVTXPG-RQZFFVEVSA-N 471.608 1.827 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCNC(=O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1760190009 NRZAOZJNDYDQAD-LJQANCHMSA-N 497.577 1.527 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1760191753 MRDMERBLHFDPNL-TZIWHRDSSA-N 467.551 1.701 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1760192502 JKBBLYSSCGHEHL-IIBYNOLFSA-N 450.536 1.784 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2conc2COC)CC1 1760271454 YIABZHKHZAREMG-UHFFFAOYSA-N 497.581 1.418 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1760280140 CVMBITXEMVFEBZ-QLFBSQMISA-N 497.565 1.133 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1C 1760296175 YVRCXOTYXUHOJP-KSFYIVLOSA-N 456.551 1.755 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1760342618 HYCWDEAFFNIXLM-UHFFFAOYSA-N 458.588 1.878 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCC2)C1 1760412484 LSIBDQLXYINPDH-KRWDZBQOSA-N 453.609 1.973 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCS(=O)(=O)C1 1760486261 INDXLJDJRPEUTP-HNAYVOBHSA-N 451.574 1.033 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760527903 LWIJFEBYXTVXNF-OAHLLOKOSA-N 461.979 1.740 30 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C[C@@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)COCc1ccccc1 2255743828 HUDMLRGASMDWNK-HNNXBMFYSA-N 450.370 1.246 30 10 JDEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2255830413 FVJKYGBCBREQKB-QGZVFWFLSA-N 470.335 1.476 30 10 JDEE CON(CCNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2255931724 PGIGYPABAWBRPN-UHFFFAOYSA-N 457.358 1.458 30 10 JDEE C[C@H](NC(=O)[C@@H](O)[C@H](C)NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2256626173 GWZZKIITMNECRF-HUBLWGQQSA-N 455.386 1.894 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)N3CC(CB4OC(C)(C)C(C)(C)O4)C3)O[C@@H]2C1 2265162531 YSVIEWZNTYSBMF-BBWFWOEESA-N 452.357 1.940 30 10 JDEE CN(CCOCCNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267190527 POKCFFCJQCFDFK-UHFFFAOYSA-N 452.361 1.333 30 10 JDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1(C(N)=O)CN(C(=O)OC(C)(C)C)C1 2267522394 XBWMSQBEIZVZLJ-UHFFFAOYSA-N 465.381 1.560 30 10 JDEE CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267548053 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C#CCO[C@@H](C)C(=O)Nc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)c(Br)c1 1125495176 OLCHNIQSOWRTOE-JTQLQIEISA-N 453.336 1.152 30 10 JDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1286323625 JAGMPKSEVBTHMW-ROUUACIJSA-N 470.578 1.835 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCOCC(F)(F)C(F)F)[C@H]1CCS(=O)(=O)C1 1286387890 WEELYIWJMJMQNQ-HNNXBMFYSA-N 475.468 1.884 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCS(=O)(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286390457 AXWYWPGLVQYKQE-SFHVURJKSA-N 479.628 1.104 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCOC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286390579 AYVVDLLEOOSLBD-RTBURBONSA-N 466.604 1.385 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CC1(N2CCOCC2)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1286392206 GICKVBDCKBGWLA-MFMCRYCZSA-N 493.674 1.373 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1286395662 SEYNRYXKDIWKOU-UYAOXDASSA-N 458.584 1.931 30 10 JDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286416732 WZMWGLTUDJYBPN-IBGZPJMESA-N 450.568 1.635 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC[S@@](=O)C(C)(C)C)CC1 1286491040 BZPDMQIDKRXJIW-JGCGQSQUSA-N 456.616 1.777 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1286546193 HDBLBOIUGXLJPR-KANFNMMFSA-N 468.624 1.174 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(C)(C)C1 1286556083 NFOXIUGIAMAPLH-SQNIBIBYSA-N 485.676 1.924 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ncn(-c3ccccc3)n2)CC1 1286652516 XZOQEMHYEBKOEI-MRXNPFEDSA-N 456.576 1.920 30 10 JDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1cc[nH]n1 1286727310 PDKMXHNQELZNCV-INIZCTEOSA-N 460.539 1.362 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COC)C1 1286832679 XJSLPKSQNOYFQT-IAGOWNOFSA-N 459.638 1.393 30 10 JDEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)CCCc3[nH]nc(N)c3C#N)C2)s1 1295143799 ANELAHJDUOQAPS-CQSZACIVSA-N 450.590 1.725 30 10 JDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)C2CC2)CC1 1297746669 BGKJKLLWJXOSIC-JOCHJYFZSA-N 458.588 1.886 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1300380724 GTHRWQXHQIEAKL-QGZVFWFLSA-N 479.628 1.744 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)cc1F)[C@@H]1CCS(=O)(=O)C1 1300479370 MQXQUQHRLSOTNP-QGZVFWFLSA-N 475.546 1.337 30 10 JDEE C#CCN(c1nnc(C)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300483199 ISGNYNVXOOGNLC-KBAYOESNSA-N 451.593 1.859 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300496852 VKJBRSRKNUEBKG-IEBWSBKVSA-N 463.604 1.248 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nnn(C)n1 1300642966 NSURSTHNRFAQEV-JOCHJYFZSA-N 454.510 1.669 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1300990646 MLPSOXZIXOEZFC-UXHICEINSA-N 477.635 1.898 30 10 JDEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1301044346 GYUCKANUDHJXBS-UHFFFAOYSA-N 472.977 1.901 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1301150874 CRPZMLFXFSICNL-KURKYZTESA-N 471.624 1.453 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(c2ccccc2CO)CC1 1301510471 YDFQBJOWYCGHAN-UHFFFAOYSA-N 452.559 1.579 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1301515195 QYJRNPHWFSQXKI-MRXNPFEDSA-N 484.536 1.873 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCOC2(CCOCC2)C1 1301593098 IKMVKYWUSMLBNJ-UHFFFAOYSA-N 492.598 1.852 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCS(=O)(=O)C1 1301956187 GCFPVOBFOMJYQZ-CABCVRRESA-N 451.574 1.379 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CC2(O)CCS(=O)(=O)CC2)c1 1316529670 BSZLCDIRWYMFGR-UHFFFAOYSA-N 498.531 1.441 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)NCC(F)(F)F 1358895709 PDVCJMAFQZVBIF-SFHVURJKSA-N 477.535 1.779 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@]2(C)CN(C)C2=O)c1 1358903134 LZSKLSWOSZVJSW-VWLOTQADSA-N 474.569 1.674 30 10 JDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1358921461 YIIIYXFTVHTPJR-INIZCTEOSA-N 493.659 1.430 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1358955183 GIRNMOAWKKIUGF-FQEVSTJZSA-N 476.647 1.263 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1358960007 ULJLPTLDKLKSSA-FUHWJXTLSA-N 478.596 1.015 30 10 JDEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359118433 IZEIRXHGPDTLIV-UHFFFAOYSA-N 453.503 1.700 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCNC(=O)OC(C)(C)C)CC1 1359179347 SJZKYNGKZYBOMH-GOSISDBHSA-N 498.650 1.928 30 10 JDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1359226788 MMZMVZQKILWJMF-LJQANCHMSA-N 455.563 1.585 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359291734 AWBSKGPXGJQAKI-GDBMZVCRSA-N 451.524 1.483 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1359305618 INPYTENGERKBCQ-YQVWRLOYSA-N 459.595 1.539 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC2(CC1)CNC(=O)C2 1359329418 IKIWDTVGBBMSAV-UHFFFAOYSA-N 464.979 1.701 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1359331347 WFBVZYDCDNRQAP-OAQYLSRUSA-N 458.519 1.573 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359334371 CUBLOLUWZJIYQF-SFHVURJKSA-N 461.588 1.742 30 10 JDEE C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)N(C)C 1360568004 AYSMXPFPCBJLPM-AVRDEDQJSA-N 499.641 1.726 30 10 JDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507641558 HKNBSHBTCQXWFM-JTAQYXEDSA-N 475.615 1.207 30 10 JDEE C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507655275 DUVAIDSELLYJGK-IBGZPJMESA-N 455.584 1.774 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCO[C@@H]1C 1507665197 LHPOBGCDURMRNZ-VGOFRKELSA-N 456.572 1.241 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1507690198 QTLXMCYYDRFVFH-LEWJYISDSA-N 457.600 1.541 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)CCCO3)CC1 1507733740 KMQIUNCMTYQPRH-UHFFFAOYSA-N 464.570 1.755 30 10 JDEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507832209 SZGPAWYSDCQTEV-UHFFFAOYSA-N 474.635 1.888 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)NCc2ccccc2)CC1 1507883953 BSXJSEFJXCSYNE-FQEVSTJZSA-N 488.614 1.474 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCCO[C@@H](C)C1 1508093477 CCBSMKJVPLUERI-NRFANRHFSA-N 467.618 1.560 30 10 JDEE CCN1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1515864696 DIGNIMVGGCVXHF-JOCHJYFZSA-N 464.618 1.901 30 10 JDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1ccco1 1517073720 FAIDHSVIKMPFTL-QHCPKHFHSA-N 450.499 1.612 30 10 JDEE C=C(Cl)C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O)C(=O)OCC 1531941052 YCJVZMXVSUECSF-YCRPNKLZSA-N 451.907 1.961 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1539051993 ANBAYGKNHFQIEC-ZWKOTPCHSA-N 452.625 1.381 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539212988 YWMFPKWVFPUVPY-MSOLQXFVSA-N 461.563 1.432 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539219345 BWRNDMFRWPGHNV-RBUKOAKNSA-N 463.604 1.595 30 10 JDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1539273107 KWGKHMCLCSECSU-UHFFFAOYSA-N 453.856 1.927 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[C@@H](O)C2)n1 1539424592 UBQBLVOZZYWHRV-RLLQIKCJSA-N 455.563 1.263 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(COCCOC)cc2)CC1 1539445881 JLVMHRJDAONSRG-NRFANRHFSA-N 452.559 1.196 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC(C)(C)N2CCOCC2)CC1 1539453414 KNSKTVSJYRCTLL-UHFFFAOYSA-N 452.603 1.744 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1539462817 ZXQXBDBBSCGQKK-LJQANCHMSA-N 458.994 1.986 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCCN2CCOCC2)CC1 1539470731 XNFJAQRBUZASRM-UHFFFAOYSA-N 495.584 1.932 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOc2cccc(OC)c2)CC1 1539477593 RUECGORFUXXOEA-OAQYLSRUSA-N 480.569 1.673 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1539499716 OIIZIHKDTKOWKE-QGZVFWFLSA-N 476.628 1.264 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(-n2cncn2)c1 1539538762 MTURRLGKWJJLNE-IIBYNOLFSA-N 454.560 1.509 30 10 JDEE C=C(Cl)Cn1c(-c2ccccc2Cl)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1539790190 FCCIPIWATUYNBN-UHFFFAOYSA-N 477.356 1.818 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1540853074 KSEJPMLCNZMHIT-HYFFOGBASA-N 499.634 1.237 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1540862112 RGZYGPNCWFBIHB-FQEVSTJZSA-N 457.623 1.765 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1540871893 WRNNBIIVDNTKEJ-WOJBJXKFSA-N 473.666 1.795 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(NC(=O)C2CC2)CC1 1540901433 DEVPXSZWKASWNU-UHFFFAOYSA-N 458.588 1.744 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1540901922 UZAYXPTWSDCLNU-MRXNPFEDSA-N 456.572 1.705 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)C(=O)Cn2nc(Br)c(Br)n2)c1 1543231017 GIOUSIWGQAUKGP-UHFFFAOYSA-N 455.110 1.882 30 10 JDEE COC[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)OC 1555253043 DRXBWJQCVSPLAZ-INIZCTEOSA-N 452.494 1.734 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc3cc(Br)ccc3o2)CC1 1565288009 WMGFERWQHAUUKW-UHFFFAOYSA-N 455.334 1.490 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(-n2cncn2)nc1 1587578995 BMVSKWAOFKGKNY-INIZCTEOSA-N 462.539 1.831 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(NC(=O)OC(C)(C)C)COC1 1587620609 IEFLNDNPTZJUPJ-INIZCTEOSA-N 493.568 1.944 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCCCC2)nc1 1587640060 OKSCRZOFBSUMHK-UYAOXDASSA-N 487.630 1.503 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1587692313 CBAUSKXZHUVUEV-IPVOUAOMSA-N 489.536 1.365 30 10 JDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1587766703 XQFYAOFAZXMRKD-IBGZPJMESA-N 486.646 1.726 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588045731 PNFJSYBUHWHURF-ZCNNSNEGSA-N 486.642 1.855 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCO[C@@H]1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588054007 JRLUJPMPWBCVLD-YSTOQKLRSA-N 498.671 1.402 30 10 JDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1588058915 FLTJHTHEIBKTFM-LPHOPBHVSA-N 487.582 1.190 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1588064134 BGURPVBYCLVQGL-HXUWFJFHSA-N 499.618 1.342 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1588068912 BWIYFGCVDXRFAC-MRXNPFEDSA-N 450.948 1.662 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1588646360 JDLXVHYKMVQORB-LJQANCHMSA-N 493.630 1.833 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCOC(C)(C)C2)CC1 1588890582 CBRZZIUIFXKQCG-VWLOTQADSA-N 488.633 1.007 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCOCCS(C)(=O)=O 1589163057 HPIYMQAYFQPBDA-NHCUHLMSSA-N 454.593 1.372 30 10 JDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)[C@H](C)C1 1589294875 BSPSQBSUJZRZMQ-OAHLLOKOSA-N 464.368 1.991 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1593695365 DWAACIZAGSFXRL-MRXNPFEDSA-N 482.607 1.483 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1593884144 CXZXTYNENRUZKG-LBPRGKRZSA-N 459.897 1.955 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1595649604 RVCFXPACYDACPM-ZHRRBRCNSA-N 490.586 1.532 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN(C(C)C)C2)C1 1595674190 NRUJLKJPXMTROG-CEXWTWQISA-N 454.641 1.790 30 10 JDEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)[C@H]1C 1612860136 CPRYXKZKXZTESI-IRXDYDNUSA-N 459.572 1.903 30 10 JDEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1615741615 DWTROCDCSMTWDC-KRWDZBQOSA-N 469.575 1.242 30 10 JDEE CCN1CCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1615808164 FMAXCTSJEFQLTB-OALUTQOASA-N 465.624 1.225 30 10 JDEE CCO[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N)c1ccccc1 1616119657 BREGLXGYTBCLKZ-MISYRCLQSA-N 476.603 1.985 30 10 JDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H](Cc3ccccc3Cl)C(N)=O)C2=O)cc1 1672352299 GTGPOOGXFYZPCJ-ICSRJNTNSA-N 453.930 1.956 30 10 JDEE Cc1nsc(N2CCN(C(=O)NCCN3CCN(Cc4ccccc4)CC3)CC2)c1C#N 1677106878 DMKSHCXUTDEEKV-UHFFFAOYSA-N 453.616 1.973 30 10 JDEE C#CCOc1ccccc1CNC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 1677401200 TZBMSEIONSACOH-UHFFFAOYSA-N 456.568 1.634 30 10 JDEE COc1cc(OC)cc(N2CC[C@H](NC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)C2)c1 1678379716 AYWKDEPIFZEVCG-SJORKVTESA-N 451.531 1.864 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccs2)CC1 1689931811 IVLZWQLMBTYGPF-KRWDZBQOSA-N 464.617 1.413 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689978071 LEYQQQAXAKFXDW-FTDQSSOUSA-N 492.627 1.099 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1689983852 ICHINPKNRSWAEL-FQEVSTJZSA-N 457.600 1.906 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)C(C)(C)C 1690006499 QSIAFLFPUGMDIP-UHFFFAOYSA-N 470.599 1.431 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1690032753 IJMUROVAGAKHPE-ZWKOTPCHSA-N 478.619 1.751 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(SC)CCC2)CC1 1690146379 MHJDXBDAFHZHFN-KRWDZBQOSA-N 465.645 1.432 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cccn2)CC1 1690154916 ACKIPJLHHZPGSC-MRXNPFEDSA-N 451.622 1.368 30 10 JDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690178948 INJJCYSUQGIYCG-MRXNPFEDSA-N 468.674 1.766 30 10 JDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1690327895 ADTZWKFNULTGJV-CQSZACIVSA-N 469.955 1.876 30 10 JDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690477059 YLZSTBZDHJYWEP-UHFFFAOYSA-N 464.578 1.534 30 10 JDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)cc1)C1CC1 1690536528 AVLCWUUQOWLUQW-KRWDZBQOSA-N 460.604 1.928 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1690597506 VVDHYWDKLZXLKB-IPMKNSEASA-N 483.660 1.563 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690659294 OZYJZZWHFZPGED-SFHVURJKSA-N 466.546 1.005 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690661646 CBXUHBMVPJPUFZ-ZDUSSCGKSA-N 486.367 1.772 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCCN(CCC)C(=O)C1 1690662034 PAZMIZQZJRSBBL-UHFFFAOYSA-N 478.395 1.797 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1690662317 ZBRRANVIRSPREV-FXAWDEMLSA-N 487.557 1.657 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(N)=O)C1 1690682592 SYNGMPCRAGGLAI-DOTOQJQBSA-N 462.576 1.203 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1690720314 FOFFFBJHTAWMDT-NRFANRHFSA-N 470.599 1.719 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1690725120 GKNLVBXSDMTXSE-AZUAARDMSA-N 460.604 1.022 30 10 JDEE CN(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)C1CC1 1696601342 DVFPFYJAKHRCRD-VQTJNVASSA-N 458.588 1.692 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c2c(c1)OCCO2 1705476439 AFURIQQKOGNSNU-CHWSQXEVSA-N 453.952 1.819 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1705559915 BWTRNAZYHMFGNK-CYBMUJFWSA-N 456.366 1.433 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1705565689 JGHJZMJBGKQBNG-CTNGQTDRSA-N 485.610 1.939 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(C3CC3)ccc2F)CC1 1705633023 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470.555 1.555 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1507631908 HCRQPQFRYGZWEX-NHCUHLMSSA-N 484.626 1.750 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(OC)OC)c1 1507670164 YUEKGCBAXQKCKV-HXUWFJFHSA-N 456.568 1.983 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCS(=O)(=O)C1 1507703529 XRGJUQZRBKHIAC-GOSISDBHSA-N 459.572 1.668 30 10 JDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1507842823 MSCARVPVNSYXQZ-OAQYLSRUSA-N 464.574 1.620 30 10 JDEE C=C(C)COCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)NC)CC1 1507847278 JCMRWUWCLLDDGK-UHFFFAOYSA-N 496.660 1.697 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC[C@@H]2CCCO2)CC1 1507884430 IHNVJPRCZUGTSJ-RBUKOAKNSA-N 469.608 1.353 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)Nc1ccccc1)C1CC1 1507992479 DKAYCUYZMVGVKC-IBGZPJMESA-N 474.587 1.795 30 10 JDEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1508052231 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1539446205 URNDEBANQBCPHD-UHFFFAOYSA-N 479.610 1.702 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1539446817 JSNSFRZJUXWRCL-OAHLLOKOSA-N 450.469 1.458 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1539474052 IGNZVFPJVZMKQP-NSYGIPOTSA-N 483.569 1.468 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1539476116 SQSNWUQOVTVRGO-IBGZPJMESA-N 463.542 1.208 30 10 JDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1539517922 TXZUJKSBWZDRPF-RTBURBONSA-N 483.660 1.169 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1539683303 MTFJEPBFHOUHBG-FGTMMUONSA-N 454.641 1.790 30 10 JDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1540040208 OWQGDFNTMITUGQ-AUSIDOKSSA-N 484.649 1.721 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1540870476 OGOTUFAYJMQZLZ-ICSRJNTNSA-N 458.607 1.949 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCS(=O)(=O)CC1 1540874504 IOZLRTNAHYGTDX-UHFFFAOYSA-N 461.588 1.692 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1540876322 NVLHPZULPKRBSL-BZSNNMDCSA-N 487.605 1.900 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(Nc2cccnn2)CC1 1540902273 FMMHAODPCXTLLI-KRWDZBQOSA-N 461.592 1.644 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@@H](CN2CCOCC2)C1 1540904759 QBPGVWIIISUXPA-IBGZPJMESA-N 477.606 1.767 30 10 JDEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)c2)CC1 1547776024 ACAFDNAFPHYDMB-UHFFFAOYSA-N 477.573 1.947 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](n3cc(C(=O)OC)nn3)C2)ccc1F 1567295039 KZYKPVDVQHUMAX-AWEZNQCLSA-N 451.480 1.145 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn(CCCCC)nc1C 1587989924 QIUOTAMKMLTPIW-LJQANCHMSA-N 463.608 1.424 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C(CC)CC)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588049571 IKOKCJJHOLELTE-WOJBJXKFSA-N 461.636 1.672 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OC 1588233351 HRMUEYAKVNFSTF-NRFANRHFSA-N 471.583 1.325 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(OCC(F)(F)F)c1 1588266172 MMSBTJMXCKILQK-ZDUSSCGKSA-N 460.482 1.732 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C(F)(F)F)cc2)CC1 1588742792 UZVLWLQOJIRWMG-HNNXBMFYSA-N 470.521 1.711 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2ccc(F)cc2)CC1 1588813683 ZIFSTEZHRSQERU-ZWKOTPCHSA-N 461.563 1.542 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCS(=O)(=O)NC(C)C)CC1 1588929952 JSRIJKGKWNKVHP-UHFFFAOYSA-N 450.609 1.229 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1593636380 KJTXHEGKEJBFMV-RTWAWAEBSA-N 474.631 1.898 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC2(CCOCC2)C1 1595219236 SPSOXFAOVABTLR-LJQANCHMSA-N 465.620 1.996 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1595475812 GFVRPWPSGXFXDJ-MYYSRTQBSA-N 499.547 1.674 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1595545101 RADQVLZQQQYLRX-FQEVSTJZSA-N 485.564 1.722 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2COCCO2)C1 1595688490 KLVAQSQTIKAADI-MOPGFXCFSA-N 477.587 1.392 30 10 JDEE CNS(=O)(=O)c1ccc(C)c(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 1596164038 AFVQGJTZTQICKZ-CYBMUJFWSA-N 450.542 1.359 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)Cc3ccccc32)CC1 1632623883 KCXHDMIZAMZIMC-NRFANRHFSA-N 454.571 1.805 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)c1 1644272437 REMBTQQYIDSUTO-OAQYLSRUSA-N 453.561 1.907 30 10 JDEE CN(C)S(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1676353576 GKMXDPHODXLTNN-FQEVSTJZSA-N 455.540 1.409 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCCOC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1689986882 YUHKPBGUSLFEOP-AZUAARDMSA-N 459.572 1.410 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689988459 PMKPIQVLZLVHIS-SIKLNZKXSA-N 481.626 1.826 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1689993003 SURMUABZUQUOPM-DENIHFKCSA-N 462.547 1.440 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](C1CCCCC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689993617 IHZFEPZQTYYPJJ-RTWAWAEBSA-N 490.674 1.538 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1689994095 QYKBNPGUSXKMHQ-FQEVSTJZSA-N 498.634 1.602 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)c2cccs2)CC1 1690110363 ITIZSPKEFNLRST-QFIPXVFZSA-N 451.556 1.650 30 10 JDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)[C@H](CC)C1 1690170387 HHUDEBCQVMPGCS-QGZVFWFLSA-N 460.604 1.919 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)O 1690556309 SRWVBXHSTLQIOB-LJQANCHMSA-N 479.603 1.583 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1690565663 PERFESZREPVHJJ-QCLNCQLRSA-N 461.526 1.948 30 10 JDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1690627549 BZOOZOUCHCEENO-UHFFFAOYSA-N 466.590 1.930 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1690659549 WHZAQFSGRROWIU-CQSZACIVSA-N 459.517 1.572 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1690723556 VQHXHRQOWJGIBN-JOCHJYFZSA-N 460.604 1.550 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690726724 JQYCLEUXJYUFAF-QUCCMNQESA-N 473.599 1.463 30 10 JDEE CC(C)[C@H]1OCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1691003345 GBRCGLCGIGBPLY-AKHDSKFASA-N 468.624 1.658 30 10 JDEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOCC1(C)C 1696824641 AQQSLRZPNIPINI-UHFFFAOYSA-N 483.617 1.608 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nnnn1CC1CC1 1705505707 MVTKPVTZSKTGPY-BHYGNILZSA-N 455.567 1.952 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1705559478 BDEFKLIRNMSZQM-LPHOPBHVSA-N 450.536 1.816 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1705563050 PQQUXNWANHSVOS-OAQYLSRUSA-N 475.578 1.953 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1705567599 XMWHWFWUDSGFPW-ZWKOTPCHSA-N 480.587 1.303 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1705570147 NGOABHDJFWHKDX-XUZZJYLKSA-N 483.569 1.937 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN(C(C)=O)C1 1705576604 NDFKMQBJNXMDFD-IBGZPJMESA-N 453.568 1.680 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC2(C(=O)NCC)CCC2)CC1 1705647402 DCFYVTRVSIUQTD-LJQANCHMSA-N 456.591 1.792 30 10 JDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1705663159 YCOFGUQXVVTELV-IBGZPJMESA-N 458.609 1.871 30 10 JDEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705813177 XXKMEIYLWWMQEF-UHFFFAOYSA-N 498.584 1.436 30 10 JDEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@]1(O)CCS(=O)(=O)C1 1705882800 KYLGXZVFWYGRRX-JOCHJYFZSA-N 457.556 1.682 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](COC)C1 1705895913 WWHXVVOXIGPOBQ-MRXNPFEDSA-N 450.337 1.861 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C(=O)NC)C1 1705896007 ZPUBKNHGIURMJW-GFCCVEGCSA-N 450.341 1.300 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1705906692 MCLXZBTXHZHVAK-MRXNPFEDSA-N 450.421 1.798 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1Cl 1706076515 FJHYPTXJHBRVSI-QAPCUYQASA-N 482.994 1.939 30 10 JDEE N#Cc1cccc([C@@H]2CN(c3nnc([C@H]4CCOC4)n3CC(=O)NCC(F)(F)F)CCO2)c1 1712878271 BLOMLQHSCDIURK-IRXDYDNUSA-N 464.448 1.910 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1722360521 UVFFOJLZECXXMD-INIZCTEOSA-N 454.499 1.862 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722370513 OBHSJDBCAVXCHY-GOSISDBHSA-N 490.582 1.034 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)c1ccccc1 1722413205 JMJGZSQZEJYHCY-HXUWFJFHSA-N 460.604 1.597 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)N(C)Cc2ccccc2)CC1 1722433123 LWLCVXTXTXQQOK-VWLOTQADSA-N 466.586 1.344 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCCC1(C)C 1722474691 PQLQAXOLYTZAGD-CSODHUTKSA-N 451.593 1.418 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1722696828 SSTZCQKGQBZCDU-OAHLLOKOSA-N 454.510 1.961 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC(C)(OC)C2)cc1 1722704237 DQLIMOFZICKPNZ-IBGZPJMESA-N 477.587 1.449 30 10 JDEE CC(=O)N1CCCN(c2nnc(Cc3ccc(F)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1722772891 QQRQYCVJXPMRNC-GHVJWSGMSA-N 481.532 1.593 30 10 JDEE Cc1ccc(NC(=O)c2nnc(N3CCC(C#N)CC3)n2CCN2CCCS2(=O)=O)cc1C 1724387976 BGIYVAVXLOOFLK-UHFFFAOYSA-N 471.587 1.923 30 10 JDEE CCCNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)C1 1728175875 GFZFSAXLBUJOGU-IBGZPJMESA-N 467.574 1.950 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCCC2)c1 1740564821 YOKDYPDBIDSFHR-GOSISDBHSA-N 471.583 1.542 30 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C#CCN(c1nnc(CC(C)C)n1Cc1ccccc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748816997 BXLDVAIZYCKFOS-OAQYLSRUSA-N 471.627 1.988 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2CC(=O)N(C)C)CC1 1749018866 HCYQZRZMQKIOSW-UHFFFAOYSA-N 452.559 1.474 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1749590660 CSQILHMITZBWAI-DYESRHJHSA-N 450.561 1.550 30 10 JDEE C=CCn1c(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749643259 JQYIYWAMNUHHEI-XZDHIHRUSA-N 460.623 1.884 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1749731050 ZYRHSIYYBABVRP-UHFFFAOYSA-N 486.602 1.254 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC2CCOCC2)c1 1760097882 LHMXSFWEJMADMD-JKSUJKDBSA-N 462.576 1.347 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1760181356 SVBBFWIYAJUYGR-DPLHUUCSSA-N 493.674 1.821 30 10 JDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C(C)C)N1CCOCC1 1760207008 ULPGTEIFKPPBFU-LJQANCHMSA-N 454.600 1.699 30 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30 10 JDEE COCCN(CCOC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCOCCO 1870350316 ZKTRPRNRJWGFEW-UHFFFAOYSA-N 459.543 1.403 30 10 JDEE CCCCCCCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871633100 VNGSHWNBAWWUCI-UHFFFAOYSA-N 485.589 1.248 30 10 JDEE N#CCCNC(=O)C[S@](=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990674106 XOAUDLQNUDEUMC-NLINSNCNSA-N 469.519 1.757 30 10 JDEE CC(C)(C)OC(=O)N1CCC(O)(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2267092300 NGENPPGDZDQBDZ-UHFFFAOYSA-N 450.345 1.201 30 10 JDEE CC(C)(C)OC(=O)NCC[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCO1 2267134976 WWUMHOBJTJOYKV-AWEZNQCLSA-N 450.345 1.465 30 10 JDEE CCn1cc(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267180974 LNKRWXDSILOVNK-CQSZACIVSA-N 452.361 1.160 30 10 JDEE C[C@@H]1C[C@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267470633 AEMWTBPQDJCWFH-KGLIPLIRSA-N 470.401 1.396 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC[C@@H](OCc2ccccc2)C1 2267705084 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1.846 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1286810070 XZVZGTHTOCRZJI-DOTOQJQBSA-N 453.469 1.780 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1286818916 SQUKLUIBKSZHAF-NHCUHLMSSA-N 489.690 1.879 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1300488276 CKKUJZIVBHKMCE-QGZVFWFLSA-N 474.978 1.382 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300492854 PHICGTIZHTVWDS-FQEVSTJZSA-N 459.620 1.570 30 10 JDEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1300494197 ZNPIPZFLHMSOLZ-QGZVFWFLSA-N 484.582 1.338 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300496854 VKJBRSRKNUEBKG-PKOBYXMFSA-N 463.604 1.248 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1c(CC)nn(C)c1CC)[C@H]1CCS(=O)(=O)C1 1300498103 GUVPYTQULNASNO-IBGZPJMESA-N 481.626 1.797 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1300500534 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C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2NC(=O)CC2(C)C)c1 1358900758 RNWJLVHQELXZPA-SFHVURJKSA-N 465.558 1.387 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1358966168 JCNPRUZKOVCZQH-GBXCKJPGSA-N 488.610 1.906 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1358966425 OTIIRBFLJHPWNS-LJQANCHMSA-N 459.547 1.409 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccc2ccccc21 1358979536 PVLQYKMMVFSLBL-JOCHJYFZSA-N 480.594 1.729 30 10 JDEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(=O)N1CCOCC1 1359133196 MXPIKGGCZJGZEJ-UHFFFAOYSA-N 484.605 1.340 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1359203644 SJDMUSINANSMGW-LJQANCHMSA-N 495.650 1.305 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2sccc2C)C1 1359322015 OLALVXJACDFWFR-SJORKVTESA-N 467.617 1.811 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1359333397 WNTCGPVBJKVMRS-KRWDZBQOSA-N 457.560 1.600 30 10 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C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 1561379419 HJKVRYDYPNJKFS-LBPRGKRZSA-N 454.434 1.748 30 10 JDEE C#CC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 1562142719 AKVKRKUXUNCIKZ-KRWDZBQOSA-N 450.561 1.204 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588034351 DNUJDDKTBQCDLW-JPYJTQIMSA-N 495.646 1.250 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588040173 IXOQLEIVKKCBNW-DHIUTWEWSA-N 496.637 1.800 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 1588054285 MYXDTSHFIYDASI-PMACEKPBSA-N 492.623 1.002 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(C)CCOCC2)CC1 1588892046 WCNXNHAQNRMHKD-DEOSSOPVSA-N 459.591 1.713 30 10 JDEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1594744482 RNZUNPGIRQTQRU-HXUWFJFHSA-N 460.604 1.861 30 10 JDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@@H](O)C2)CCN1S(C)(=O)=O 1620313722 BSPLLCUUYLEOKZ-XKGZKEIXSA-N 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491.596 1.082 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(=O)N2CCOCC2)CC1 1690139724 YMRFOAZNMXNPSI-UHFFFAOYSA-N 464.570 1.332 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1690142114 IOTOQRLOUPBMDK-HXUWFJFHSA-N 491.571 1.733 30 10 JDEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)CC1 1690170731 OWXAKDURBVDZMD-UHFFFAOYSA-N 481.582 1.930 30 10 JDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1690172961 SBVISMHBRFNMGG-SFHVURJKSA-N 455.588 1.707 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2OC)CC1 1690288095 HQAZXJLKURABNB-FQEVSTJZSA-N 476.603 1.522 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(N)=O)CC1 1690432996 QJOJXGLKHOXQLC-QGZVFWFLSA-N 468.624 1.305 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1690675946 KPSVUBFZXVVZFZ-GOSISDBHSA-N 453.503 1.737 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1690723018 FFTAVSCDPVMSSJ-FQEVSTJZSA-N 483.598 1.024 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1690723407 QIVCBTPOOGUEKL-PMACEKPBSA-N 472.615 1.935 30 10 JDEE CCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1695071457 FLWSEXHUJCIENA-XMMPIXPASA-N 451.575 1.768 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC[C@@H]1CC 1705495430 PUKKMOMJNYVWCU-FHWLQOOXSA-N 452.625 1.333 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1705561785 UCPGCNFQHSVUPF-KRWDZBQOSA-N 459.963 1.894 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1705564353 NBVQGUIEHTZIRW-SFHVURJKSA-N 451.556 1.476 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1705570925 VNOAAKXUOTXWIP-VQTJNVASSA-N 459.572 1.086 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1705571902 KQPPZTQMLADANO-BXWFABGCSA-N 479.628 1.696 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=O)N(C)C 1705623751 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COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1)OC 1712151022 CJZNRJUSADUWPT-OAQYLSRUSA-N 468.558 1.553 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CCC(=O)NC)c1 1722307561 PHFVUWCYQPNPHJ-UHFFFAOYSA-N 451.556 1.826 30 10 JDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722315160 VQSZFABIRZUPBL-UHFFFAOYSA-N 490.612 1.642 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCS(=O)(=O)C1 1722346783 WRVRCMYUEKOVKJ-MRXNPFEDSA-N 465.601 1.090 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722357763 ABUXZBDJFHVBDN-VQTJNVASSA-N 476.647 1.263 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722364842 MOYNXSNRGUCCFW-IEBWSBKVSA-N 491.589 1.956 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(OC)nc1OC)[C@@H]1CCS(=O)(=O)C1 1722365647 NHFQXOJSJKBUNB-LJQANCHMSA-N 482.566 1.351 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1722370276 MUIJGCZKFWENHL-QGZVFWFLSA-N 479.990 1.616 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCCC1 1722447362 LCPVXLJOQUHMTJ-UHFFFAOYSA-N 498.609 1.635 30 10 JDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722536085 QWPNYWGRDGGDKK-OAQYLSRUSA-N 479.628 1.877 30 10 JDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1722566074 JEYSVTDIBBDLOZ-UXHICEINSA-N 450.653 1.610 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1722686037 OVDOZUQEQYYNMK-KRWDZBQOSA-N 480.616 1.257 30 10 JDEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2cccc(S(=O)(=O)NC)c2)CCOC1 1728760459 FXDYNNPIYNIAGN-KKSFZXQISA-N 462.576 1.482 30 10 JDEE CN(C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1729332766 BAKADIMPDMNOOZ-UHFFFAOYSA-N 494.644 1.385 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1740624197 DLYCXGIQQAJURP-XUZZJYLKSA-N 483.569 1.937 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(CC)C(=O)OC(C)(C)C 1740649685 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C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2cccc(OC)c2)C1 1740982367 TUXXNOQZWYSZCQ-QUCCMNQESA-N 489.598 1.400 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCCN(c2ccccc2C#N)CC1 1740990171 KRDVQMORCYABQG-UHFFFAOYSA-N 480.598 1.868 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1740995576 QCCNXESRIVSCPC-FQEVSTJZSA-N 489.690 1.956 30 10 JDEE CCCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1745432464 CZRIBKMNBGGBEV-ROUUACIJSA-N 466.594 1.338 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCCN(C)C 1748671154 GLYKPZSMYKKOHG-WIYYLYMNSA-N 490.630 1.058 30 10 JDEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1748747572 KAUAVWYZBILINW-LJQANCHMSA-N 477.569 1.820 30 10 JDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N2CCNC2=O)CC1 1748752299 UVRRZRQBHMWHSH-LJQANCHMSA-N 487.605 1.994 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(CC)(CC)SC)[C@H]1CCS(=O)(=O)C1 1748817150 FYDSDNSEHBTYOY-IRXDYDNUSA-N 488.701 1.729 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1748818816 HCCUAKUGHJGAOF-FQEVSTJZSA-N 456.616 1.765 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748958565 AQRZPIAQIJXPTG-IBGZPJMESA-N 483.598 1.498 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCO[C@H]2CCOC2)CC1 1748978542 MCIRDHSQWNESED-SFHVURJKSA-N 477.407 1.997 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)cc1 1749066184 HNUPDOGXCZFPGM-WMZHIEFXSA-N 455.584 1.911 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1749136913 UJDWAJQTNNIPTG-QKLQHJQFSA-N 453.609 1.641 30 10 JDEE C=CCCOCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749445707 WBTJHTWJUDAKHD-SJORKVTESA-N 472.521 1.297 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1749667316 XYBVZOXLLVBRAU-INIZCTEOSA-N 471.562 1.441 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749677890 NVSQBHXTDWIYON-UHFFFAOYSA-N 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1286662975 CUFQRVBULWKRJZ-SFHVURJKSA-N 485.676 1.926 30 10 JDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1286715333 XTQZOPPEODVYPQ-MAUKXSAKSA-N 462.576 1.676 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc(Cl)cn1)C1CC1 1286736889 JDJNYEPYQVJHMB-MRXNPFEDSA-N 455.972 1.316 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(NC(=O)C2CC2)CC1 1286788972 LSTVXXHZPBVKTL-UHFFFAOYSA-N 452.559 1.675 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1286793664 IUNPYAUNCYFBSD-PXNSSMCTSA-N 488.614 1.637 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1286814154 LTJBQEIZCYIVDS-GOSISDBHSA-N 476.607 1.165 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1286814238 OBCQMXZBZUNOPJ-UHFFFAOYSA-N 480.635 1.246 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1286819828 XFLMEEKWIRZPAX-QZTJIDSGSA-N 481.525 1.686 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cn2)CC1 1286832142 IEVPLXZPRYVAGW-MRXNPFEDSA-N 466.608 1.960 30 10 JDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCNc1nccc(C(F)(F)F)n1 1288099743 IBDBTQCWHONBKA-KRWDZBQOSA-N 455.420 1.779 30 10 JDEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1297954062 DITCNFVZEDJXFK-IFMALSPDSA-N 492.628 1.851 30 10 JDEE C[C@H](CC(=O)NC1CCN(C(=O)c2ccncc2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1299848930 DIJIDPNEHAOQFY-OAHLLOKOSA-N 455.540 1.320 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC[C@H]1COCCO1 1300318086 YKODZSPKHZDZRG-GGAORHGYSA-N 452.603 1.906 30 10 JDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1300403189 FZTFZCFZOVDAQE-UHFFFAOYSA-N 451.556 1.801 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCC(C)CC1 1300466152 UUAMPIZWFOZEEI-IBGZPJMESA-N 452.625 1.193 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1300479659 RERNNQOZFFKMEA-INIZCTEOSA-N 485.595 1.674 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1300481616 AULLTCOZDROIAP-WBVHZDCISA-N 487.561 1.853 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300482237 DSSHDDRIZHSGFU-XLIONFOSSA-N 472.571 1.964 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300487064 FNQXWEJFAISDNA-AEFFLSMTSA-N 474.587 1.880 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1300699252 ABGGZAXVDRVGMA-CTNGQTDRSA-N 474.606 1.377 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCOCC2(C)C)CC1 1301126548 WKCNIWQPPQPANI-IBGZPJMESA-N 482.651 1.124 30 10 JDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCN(C(C)=O)CC1 1301420751 IWNLPWFIPOEOLM-UHFFFAOYSA-N 470.574 1.519 30 10 JDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1301469059 YHJAZPIHDBITPV-GOSISDBHSA-N 471.631 1.979 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCCN2CCC)C1 1301558320 VAVJPXFNGSZVNP-HBMCJLEFSA-N 496.678 1.657 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)O[C@@H](COC)C1 1301577880 UBPUEAQDWJSFMV-FUHWJXTLSA-N 478.571 1.557 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccc(O)cc2)CC1 1301589485 TXBLORVJYBJLDI-IBGZPJMESA-N 494.639 1.871 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(S(=O)(=O)N3CCCCC3)CC2)c1 1303992348 ZPUQJCXKOYBLER-UHFFFAOYSA-N 453.586 1.018 30 10 JDEE CCCN(C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1306782268 DBRNWTOEAREMEJ-WMZHIEFXSA-N 472.615 1.534 30 10 JDEE COCc1cc(C(=O)OC)cc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 1309396158 GFYVIFSJOVHOHE-HXUWFJFHSA-N 457.508 1.965 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)cc1 1321163749 VNNVXPUQDATQHT-QFIPXVFZSA-N 471.539 1.869 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1358897945 JDYJPHLWRHTLSA-QGZVFWFLSA-N 474.612 1.565 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCNC(=O)c2cc[nH]n2)c1 1358903459 XOORFBBROGXQFI-UHFFFAOYSA-N 483.536 1.473 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1CCS(=O)(=O)CC1 1358971467 XFZCAKBDFPULHI-UHFFFAOYSA-N 488.639 1.444 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2nc(C(F)(F)F)cs2)CC1 1359045145 YJFIQSILDFQUPH-CYBMUJFWSA-N 481.504 1.719 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)COC)CC1 1359090249 XRYXSOQFMYNCHI-YLJYHZDGSA-N 460.579 1.227 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N(C)C)CC1 1359099593 QLGYAVVGIISFMF-DYXWJJEUSA-N 479.647 1.856 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1359132108 NNNASHTVRKIBPE-TZIWHRDSSA-N 467.574 1.171 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C)[C@H](C)C1 1359294463 UNPJKUNBYAZGDW-DLBZAZTESA-N 460.604 1.980 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1359301351 XIQICRFCPHNYDB-DLBZAZTESA-N 496.634 1.224 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@]1(OC(C)C)CCOC1 1359335273 GVGMQFLXQARRLX-FGSXEWAUSA-N 481.619 1.167 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)C1 1359357292 CKRAAVSAKBAMJM-GGAORHGYSA-N 465.602 1.968 30 10 JDEE CC(=O)Nc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)cc1 1359406433 DWMXSHIGQZUWFV-FQEVSTJZSA-N 487.586 1.358 30 10 JDEE CCNC(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N(CC)CCS(C)(=O)=O)CCC1 1502397479 DAFKDZUHAWRXHC-UHFFFAOYSA-N 458.588 1.994 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)CC)c1 1507549323 ZHYONTDGMVAZRX-UHFFFAOYSA-N 495.565 1.416 30 10 JDEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(S(C)(=O)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1507623513 TWXDYISVLLIIOD-DLBZAZTESA-N 456.634 1.776 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)c1ccccc1 1507653709 QSMXVKMMNVAPQG-GOSISDBHSA-N 463.510 1.476 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1NC(=O)CC1(C)C 1507706807 OVKKJVLFSLYEPW-LJQANCHMSA-N 488.614 1.196 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1507739390 AXRCLCNXYAJQRI-IBGZPJMESA-N 485.610 1.566 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1507810133 ZPAWOXNOIMKDRC-IPMKNSEASA-N 453.609 1.876 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1507983816 SJMSHMVZHHIVCT-XLIONFOSSA-N 490.630 1.810 30 10 JDEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@]1(O)CCS(=O)(=O)C1 1508037437 LJULKJQNGXPDAV-QGZVFWFLSA-N 491.433 1.958 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCc2ccccc2)CC1 1508072858 SUKYDWQYGCRELP-UHFFFAOYSA-N 474.569 1.592 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1508088690 USBRRTABQMGXQU-SFHVURJKSA-N 471.537 1.001 30 10 JDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1512575893 HRFWIFVLWAUKBU-IWMITWMQSA-N 478.550 1.177 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCO[C@@H]1C 1519129600 ATGZEEQOBJKGDB-CJAUYULYSA-N 491.552 1.990 30 10 JDEE C=CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 1528600091 RANIXLQACULYKD-BFUOFWGJSA-N 457.911 1.448 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)CN1CCN(CC)CC1 1539002357 SFKQGULNZJYMNZ-WOJBJXKFSA-N 486.690 1.970 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)c1 1539044229 ZVSLEEVIESFJBX-QGZVFWFLSA-N 478.534 1.749 30 10 JDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1539079222 PWFSHYLZUONSAU-GOSISDBHSA-N 452.563 1.602 30 10 JDEE C#CCN(c1nnc(COCC)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539231261 QHGWRKXJNILHTQ-INIZCTEOSA-N 469.608 1.745 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC2CCN(CCN(C)C)CC2)CC1 1539444190 IOXPZVIWOMJRSL-UHFFFAOYSA-N 465.646 1.983 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1539446318 BKVKNZXSXYTDQD-GOSISDBHSA-N 489.598 1.010 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC(=O)N2CCOCC2)CC1 1539461192 BELAKUZEXHDINC-UHFFFAOYSA-N 472.977 1.515 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2ccccc2F)CC1 1539482477 TXAAIRGAKWDCAG-HXUWFJFHSA-N 487.601 1.918 30 10 JDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539525353 YDZNWHBHJCFQSV-UHFFFAOYSA-N 484.626 1.439 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1539803019 DAZHNAYCTFOEKQ-LSDHHAIUSA-N 462.967 1.309 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)C1)C(C)C 1540151856 NPQWRHUMCRINRG-RBUKOAKNSA-N 464.636 1.157 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1540865014 RRVQLYACCOLDMA-UHFFFAOYSA-N 471.993 1.645 30 10 JDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1541808680 HOHFGYBGIVGFPK-YOEHRIQHSA-N 465.480 1.780 30 10 JDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)C[C@@H](C)O1 1555404461 GJYBPEPEKSJAQK-DYESRHJHSA-N 451.531 1.945 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CC(=O)N2CCOCC2)c1 1587697878 ZWZYHDLDSSBFJB-UHFFFAOYSA-N 478.578 1.845 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1587707009 VRLLYSBBPSATMQ-CQSZACIVSA-N 478.541 1.587 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(C(=O)N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1588050659 UIQQZYOATFHHDS-IBGZPJMESA-N 484.626 1.924 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CNC(C)=O)CC1 1589494177 KPAIHKMRUSMCMZ-LZQZEXGQSA-N 468.624 1.222 30 10 JDEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1594114648 HXDBGYVOVNBGKC-UHFFFAOYSA-N 463.589 1.898 30 10 JDEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1595330147 KQXUQQJEQMJYFR-ZDUSSCGKSA-N 460.340 1.764 30 10 JDEE C[C@H]1C[C@@H](C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1612669534 CTGFXEJKPVQVCR-HYFFOGBASA-N 459.572 1.761 30 10 JDEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1)CC(F)(F)F 1618264096 AYDLZEYQJWRJDE-UHFFFAOYSA-N 465.480 1.606 30 10 JDEE CCCc1c(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cnn1-c1cccc(C#N)c1 1625514544 GPWIKHNLCRVEDC-AEFFLSMTSA-N 455.540 1.671 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)n1 1634601624 QSEAGTCKOLORHO-UHFFFAOYSA-N 453.543 1.446 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)ccc1F 1636008284 LTAKQMUQFKTQCS-FQEVSTJZSA-N 457.524 1.392 30 10 JDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 1636582792 ABMRMOYCYBLRIZ-SFHVURJKSA-N 452.577 1.535 30 10 JDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3cnc(N4CCOCC4)c(F)c3)C2=O)cc1 1686039439 HWPCPCOBZTUAHA-FQEVSTJZSA-N 452.490 1.529 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)c1ccccc1 1689852437 FHJCTWHTWBARLY-DLBZAZTESA-N 450.586 1.502 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCS(=O)(=O)CC=C)c1 1689870058 AFOHTOWPYGQXPO-UHFFFAOYSA-N 465.539 1.392 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(OC)CCOC2)c1 1689873544 MYCRMTVBZRZAIE-KIVTUJJHSA-N 483.569 1.864 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1689913502 PITDQVVNLGCGPG-HNNXBMFYSA-N 453.590 1.342 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1689982949 XSKPBYXHAHESPH-AWEZNQCLSA-N 456.366 1.699 30 10 JDEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1689984661 SBUQAMPVBLZINS-GOSISDBHSA-N 474.583 1.894 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(F)F)c1)[C@H]1CCS(=O)(=O)C1 1689988791 WJSZSHKOPXGGAJ-DLBZAZTESA-N 463.510 1.842 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(C(C)=O)CC1 1690095711 AHBBGOVVJZAVPR-UHFFFAOYSA-N 473.599 1.693 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1690288361 UTMHNDJCICGSPB-FQEVSTJZSA-N 494.662 1.806 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCCCOC)CC1 1690345840 DUPBFUYGPZBFKR-QGZVFWFLSA-N 478.015 1.385 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(CN2CCOCC2)CC1 1690675340 XOBKMVOYWWFVHA-UHFFFAOYSA-N 452.603 1.914 30 10 JDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1 1692346394 CZYUTIJNQGKXTB-OALUTQOASA-N 468.624 1.946 30 10 JDEE COc1ccccc1OC[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1697604239 BLAFPHWTZKEEED-MSOLQXFVSA-N 454.531 1.967 30 10 JDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)OC 1697754903 CMZRAOHPHNYAQU-IBGZPJMESA-N 450.503 1.065 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1705563094 QRPLMQCNBFOEDK-OAHLLOKOSA-N 463.926 1.656 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1705568176 IVFJRTIZOAIXDA-SFHVURJKSA-N 459.503 1.968 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705570240 MBKIVFDGEMZNOG-MRXNPFEDSA-N 487.479 1.313 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cnn(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1705571637 DPYCRBFNZHPTKR-WOJBJXKFSA-N 460.604 1.966 30 10 JDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(OCC(N)=O)c1 1705612307 DUURMPLXXWFBGM-UHFFFAOYSA-N 474.569 1.824 30 10 JDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC[C@]2(CCOC2)O1 1705630165 IREXHCHBWGKSNP-VGOFRKELSA-N 459.572 1.694 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1705649731 FQQYDRPXAXZICV-UHFFFAOYSA-N 470.599 1.055 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1705651211 NRXZOPQVAMDSER-REWPJTCUSA-N 497.596 1.883 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2sc(C)nc2C)CC1 1705651448 XCQBRYHMJKMSFF-UHFFFAOYSA-N 455.588 1.488 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 1705731401 VFJQYNCGDPBJKA-FUMNGEBKSA-N 466.652 1.792 30 10 JDEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cnnn2C)CC1 1705777313 DZFCCDLLLKIKRJ-UHFFFAOYSA-N 456.576 1.775 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1705844155 WUPAKZCLCWHQSU-QZTJIDSGSA-N 498.650 1.880 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 1705890634 AEXJEKMYPXIIEJ-LJQANCHMSA-N 476.603 1.525 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1705901782 WNHLICILLJURBS-AWEZNQCLSA-N 490.490 1.969 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C)C2)cc1 1705911643 MUBQQWSCTZWSHU-XLIONFOSSA-N 477.587 1.449 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705913717 VWQXSFOYROZMKY-MOPGFXCFSA-N 461.588 1.913 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(N3CCOCC3)c2)C1 1705915290 JTDYXPMBCRJJBH-GHTZIAJQSA-N 490.630 1.555 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1705937839 GIKSBUOKWBSGAO-HDICACEKSA-N 450.517 1.028 30 10 JDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1705942067 GVYKUSKJJIJCCU-OAQYLSRUSA-N 461.613 1.984 30 10 JDEE CN(CCN1CCOC(C)(C)C1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1711218253 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C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@@H]1C 1722681096 GLDPOGSURQHHCO-IEGUWTFLSA-N 481.594 1.765 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](COC)C1 1722728073 NOWDKUGWXJZHLN-DLBZAZTESA-N 460.622 1.034 30 10 JDEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1 1722775131 HLGTZZNTDRTTTG-UHFFFAOYSA-N 481.557 1.036 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)[C@H](C)C1 1722794577 SILJQOHWJGXTCK-OXQOHEQNSA-N 465.558 1.700 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)CCOC)c1 1740562620 MXOIFWWAHLGNSE-DEOSSOPVSA-N 468.558 1.358 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1740624575 IEUSZJQBAFHHFE-ICSRJNTNSA-N 497.625 1.448 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(OC)CCCCC2)CC1 1740702319 LEWODOXFVSJKOJ-QGZVFWFLSA-N 480.635 1.203 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(O)CCSC2)CC1 1740707035 MBZXMCCNZWEDCI-XMMPIXPASA-N 469.611 1.711 30 10 JDEE C#CCSCCn1c(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1740724267 ZSWMOWHWLIMTDZ-AUSIDOKSSA-N 476.647 1.879 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(NC(C)=O)c2)C1 1740971944 AQJJXNKTRBQNTH-DNVCBOLYSA-N 462.576 1.676 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1741664780 HAQNXHLWYIXHIH-FDDCHVKYSA-N 458.611 1.489 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748804907 MHVINPYIJYBFLA-FCGDIQPGSA-N 454.593 1.444 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1748822185 ZQZPEOJUOPFWPH-QFIPXVFZSA-N 479.606 1.920 30 10 JDEE COc1cccc([C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)N(C)C)c1 1748909951 HVCIRFQAIDMACZ-PMACEKPBSA-N 453.547 1.554 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749664718 XTZQASZARSGNRY-HSZRJFAPSA-N 451.531 1.370 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CO)CC1 1749736049 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C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1760526689 RPMIBIISQBEVNS-UHFFFAOYSA-N 480.573 1.742 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760558204 IYOCSYUGTRDMCB-OAQYLSRUSA-N 498.602 1.612 30 10 JDEE CC(=O)N1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1760603227 RRCIXUMERUNSDC-SVOUTPRCSA-N 499.616 1.782 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1c2ccccc2C[C@H]1C 1761501438 HNAGVUICCACVFX-SOLBZPMBSA-N 459.576 1.068 30 10 JDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C[C@@H](C)O1 1770943548 HXAZLMSFAJFRNU-XLIONFOSSA-N 454.531 1.306 30 10 JDEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(O)c(O)c1)c1ccc2c(c1)OCO2 1862626585 FKZAQXIAJLGBDV-OAQYLSRUSA-N 468.462 1.737 30 10 JDEE CCCCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CN1CCN(CCO)CC1 1870531974 QVFMNGHKNKOEHM-UHFFFAOYSA-N 450.624 1.834 30 10 JDEE CCCCCCCCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CN1CCN(CCO)CC1 1870582052 PPRRIXFLZUBLIJ-UHFFFAOYSA-N 492.661 1.556 30 10 JDEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(NCCCN3CCOCC3)ncnc21 1875229794 GBMMPHROJFVZBH-UHFFFAOYSA-N 455.563 1.056 30 10 JDEE C=CCNC(=O)NC(=O)C[S@](=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2074710427 PHTJBCQVRKDSET-NFVVUBBGSA-N 499.545 1.739 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2255630915 QXENUVTYIISEAQ-CYBMUJFWSA-N 455.748 1.650 30 10 JDEE C[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255752182 GNIQSUDAJPYVHG-CQSZACIVSA-N 455.386 1.820 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2255843555 IHKLBGIMHSNDIW-STQMWFEESA-N 453.370 1.542 30 10 JDEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)CCS(=O)(=O)C1 2258957358 NWLKVJHGWLWGHA-HXUWFJFHSA-N 456.370 1.210 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)[C@H]2COC[C@@H]12 2267152796 PELYAMMPWJRRDD-CFVMTHIKSA-N 465.381 1.806 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCCCCNC(=O)OC(C)(C)C 2267360962 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Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 2282306142 JIUQZCHTGGQYOI-AWEZNQCLSA-N 485.416 1.182 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCC1(NC(=O)OC(C)(C)C)CCC1 2282421502 ONKGEZNZRVJGKC-UHFFFAOYSA-N 484.428 1.835 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2[C@H]1CO 2282520386 QQPZVHZTEXEIFJ-OFQRWUPVSA-N 479.408 1.742 30 10 JDEE CO[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283054954 AYPSAVWRSHHGPH-CABCVRRESA-N 462.356 1.530 30 10 JDEE CC(C)(C)OC(=O)NCC[C@@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCO1 2283069308 QRUBHELFDCPTTB-OAHLLOKOSA-N 462.356 1.532 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315645496 PBCQPTLCQFGQRM-TZMCWYRMSA-N 453.370 1.712 30 10 JDEE C=CCNC(=O)CN1CCN(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 27559871 OQQASZCAYCEXAQ-UHFFFAOYSA-N 475.637 1.840 30 10 JDEE C=CCOc1ccccc1[C@@H]1c2c(nc(N3CCC4(CC3)OCCO4)[nH]c2=O)NC(=O)[C@H]1C#N 72444436 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C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCN(C(=O)C(C)C)CC1 1301498523 PTTUOGGDNMAWRL-UHFFFAOYSA-N 478.557 1.591 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1301576847 BSVMCWVSRZIVPQ-FQEVSTJZSA-N 451.556 1.594 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(C)cccc2C1 1301588977 NBMFJNAYGLIVAV-SFHVURJKSA-N 464.613 1.652 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1301593285 LKYVRYMHLOHUDP-GOSISDBHSA-N 461.588 1.742 30 10 JDEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(OCC(N)=O)c2)CC1 1303013400 COIBHMHSIREZAG-UHFFFAOYSA-N 451.531 1.443 30 10 JDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1=O 1303182606 CJSQXXXMGVWACH-LJQANCHMSA-N 470.599 1.946 30 10 JDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1311902793 JHVSNUJKZUFNSL-GOSISDBHSA-N 458.563 1.269 30 10 JDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1313557429 GZQNAYKANAGOAB-UHFFFAOYSA-N 485.552 1.800 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1358957562 VXNLMMLOZLGEDG-DENIHFKCSA-N 476.603 1.151 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1358958576 QVVGYWLTCUKYOT-IRXDYDNUSA-N 482.990 1.895 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(N2CCOCC2)nc1)[C@@H]1CCS(=O)(=O)C1 1358963835 OUCSTVKVQBAFBU-HXUWFJFHSA-N 486.642 1.773 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(NC(C)=O)cc2)CC1 1359040379 RXIODZYEQCCVBN-GMAHTHKFSA-N 466.586 1.958 30 10 JDEE C=CC1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCNS(C)(=O)=O)CC1 1359177213 FJJUYVQCQLUZQH-UHFFFAOYSA-N 467.621 1.190 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1359298935 PROAZHGPCOFJDK-WFFDWFOESA-N 487.605 1.898 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(NC(C)=O)c2)C1 1359322502 WYBYEZOZKCWQPD-QUCCMNQESA-N 459.572 1.968 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCO[C@H](c2ccccc2)C1 1359332723 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457.888 1.843 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)CSc2nnc([C@@H]3CC(=O)N(C(C)(C)C)C3)n2N)nc1C 1874552377 QGDNFECRHMIEKC-GFCCVEGCSA-N 493.615 1.945 30 10 JDEE C#CCC[C@@H](N)C(=O)Nc1c(I)ncnc1I 2008296387 DRYFZUSWDDSFHQ-ZCFIWIBFSA-N 456.025 1.365 30 10 JDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCS(=O)(=O)C1 2060784491 VBDHELQULLLVFV-AVRDEDQJSA-N 462.572 1.305 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2255643318 SEPGWMPZZWHLRR-KBPBESRZSA-N 453.370 1.542 30 10 JDEE Cc1ccc(S(=O)(=O)N[C@H](CO)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267364144 VFCGOBVSSYQEEK-HNNXBMFYSA-N 470.397 1.458 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2267367578 VTCKMZBRVAXWGJ-KBPBESRZSA-N 470.401 1.443 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2267372836 UWXBUKMWUHCIAL-RBZFPXEDSA-N 468.385 1.007 30 10 JDEE Cc1nc(S(=O)(=O)N2CC=CCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2267468649 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1.632 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282312833 CCCQHZVKMKESDJ-HOTGVXAUSA-N 486.371 1.695 30 10 JDEE CN(Cc1ccccc1)[C@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C1CC1 2282339314 UETQOYPVFZSFFR-LJQANCHMSA-N 474.436 1.908 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CO)CNS(=O)(=O)c1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1 2282492003 NAYPYXABOPNWOM-ZDUSSCGKSA-N 492.350 1.428 30 10 JDEE Cc1cccc(C(=O)NC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282649362 YXQBUIFPKBNULX-UHFFFAOYSA-N 459.352 1.499 30 10 JDEE CC(C)(C)OC(=O)NC1CC(O)(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282855627 HMKPGYCFQDEHSI-UHFFFAOYSA-N 482.408 1.682 30 10 JDEE C[C@H]1CC[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CN1C(=O)OC(C)(C)C 2282858686 ASQMJZCPEHBSMY-LSDHHAIUSA-N 484.428 1.786 30 10 JDEE CN(CCn1cc(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)cn1)C(=O)OC(C)(C)C 2284138376 BCYCTHPSEGGFRA-UHFFFAOYSA-N 478.384 1.575 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2288536319 OVMVGLYNKIPJDB-UHFFFAOYSA-N 472.298 1.056 30 10 JDEE Cc1csc(C(=O)NC[C@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2359267392 DXXKNKAKCCLWHG-OFQRWUPVSA-N 482.408 1.427 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)nnc12 23317248 VUPLTUNYSWVFNS-QGZVFWFLSA-N 496.593 1.420 30 10 JDEE CC(=O)Nc1cccc(OCCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 409468479 CVOADQLOEKSOJR-UHFFFAOYSA-N 471.539 1.612 30 10 JDEE CCN1CCN(C(=O)C(/C=C2\C(=O)ONN2c2ccc(OC)cc2)=NC(=O)c2ccccc2)CC1 585673925 ZGQPIYAYEGEIBR-NNKBPHMGSA-N 477.521 1.807 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1-c1cc(C)ccc1C 839009336 VVMHPXNPSLBQTE-UHFFFAOYSA-N 482.569 1.902 30 10 JDEE COc1cc(C=NNc2nnc(SCC(=O)Nc3ccccn3)n2N)cc(OC)c1OC 1084028604 BAJUIGZTRBTSIU-UHFFFAOYSA-N 458.504 1.590 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2c(F)cccc2F)CC1 1157010207 XRHYXJNPSQVAEM-IBGZPJMESA-N 450.486 1.424 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C(=C\c2ccc(O)c(OC)c2)c2ccccc2)CC1 1175514706 FGNQEQMONRQPHY-SILNSSARSA-N 455.536 1.553 30 10 JDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cn1 1212420217 BBPBPPSFJXQVTE-UHFFFAOYSA-N 452.496 1.641 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(C(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1286386492 BEQCXEGKHCASAL-IBGZPJMESA-N 450.524 1.114 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1(S(C)(=O)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1286393144 KFWUDUQRACGZGM-INIZCTEOSA-N 456.634 1.461 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1286398543 YFGHGCMQPQYDLZ-QFIPXVFZSA-N 487.674 1.888 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCN2CCCC2)CC1 1286491216 IWQCTWMUHPIQAO-UHFFFAOYSA-N 450.587 1.939 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCOCC2)C1 1286546364 IUDOCACFJCEVEX-BZSNNMDCSA-N 453.609 1.876 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)NCCOC)CC1 1286564826 ZCHIXATZFMSFQJ-AUSIDOKSSA-N 486.592 1.950 30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(=O)NCC2CC2)CC1 1286640698 OHPBMPKPVHPWJZ-UHFFFAOYSA-N 458.588 1.878 30 10 JDEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1286678330 VFXVZCIDMMAZJF-NRFANRHFSA-N 495.628 1.949 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(CCC)C1)C1CC1 1286737829 OQJMDHHEAVTPKL-PKOBYXMFSA-N 452.625 1.498 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1CC1(C(N)=O)CCOCC1 1286744478 JRCGRHQXGHUJAJ-UHFFFAOYSA-N 452.559 1.875 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1286788981 MAHFWZABPGGMLL-GOSISDBHSA-N 479.589 1.956 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCOCC2)C1 1286796730 VKFGGDUILHXRJU-GOSISDBHSA-N 491.614 1.887 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2C)C1 1286809159 GVOTXYWQZDFLSH-WOJBJXKFSA-N 461.588 1.749 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)OC[C@H]2C1 1286815689 ZEEHXEKTARHHRE-CYBMUJFWSA-N 485.364 1.277 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1286818032 AXDCNHWWXMMULP-IBGZPJMESA-N 476.603 1.890 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1286820939 WEHBKYACWUPFIX-DLBZAZTESA-N 469.608 1.828 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1286823753 QMOITJRHWBEMKZ-UHFFFAOYSA-N 485.614 1.826 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)Nc1ccc(F)cc1 1288524433 COZJFNJOILHATO-YOEHRIQHSA-N 479.538 1.127 30 10 JDEE COc1cc(OC)cc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCN2S(C)(=O)=O)c1 1299930085 HRNICBMUWAGKJF-NVXWUHKLSA-N 462.576 1.982 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1N1CCOCC1 1300274692 YNWDKUHXHZYGFO-ROUUACIJSA-N 460.604 1.540 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CCC2(O)CCOCC2)c1 1300330464 AQKBLSPYUWOSAK-AREMUKBSSA-N 497.596 1.918 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)Oc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1300490704 BZWGSXKBOHFYPV-BJLQDIEVSA-N 471.583 1.632 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1300494959 ANLFEEQLUFQYFL-RBUKOAKNSA-N 474.583 1.864 30 10 JDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@H](N1CCOCC1)C(F)(F)F 1300620312 AHAFCHONPDQVEA-INIZCTEOSA-N 454.453 1.728 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1300971990 DQEOVJGUZFGQNC-UHFFFAOYSA-N 468.558 1.775 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1300991308 QRYXYFXTMZVGLB-RBUKOAKNSA-N 483.635 1.335 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1301497358 UJDZNIXZQYNLOJ-UHFFFAOYSA-N 461.592 1.201 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1301509881 PABMBOLWILWIMZ-UHFFFAOYSA-N 479.585 1.410 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1301593838 VHTHNBVCMGSDDY-MSOLQXFVSA-N 477.562 1.844 30 10 JDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(Br)c1 1358938049 PHVHWGPAJWVWTQ-LBPRGKRZSA-N 456.366 1.777 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358955014 CEHNMHAYKRGKMC-PMACEKPBSA-N 490.605 1.485 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)N1CCSCC1 1358995464 RYIZLQVIVCMJQR-UHFFFAOYSA-N 493.605 1.989 30 10 JDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359059268 HRKCOHPHYGOPSK-AWEZNQCLSA-N 454.647 1.470 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CCOCC2)CC1 1359091386 MQJGLLZCPIMJRC-JBACZVJFSA-N 496.678 1.418 30 10 JDEE C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCN(C(C)=O)CC1 1359233978 YCUBYWHWSQSODX-UHFFFAOYSA-N 458.563 1.757 30 10 JDEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)NC)CC1 1359341453 XOIDPQLESBJZTM-UHFFFAOYSA-N 478.648 1.619 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1360311891 CSJONPSDSJVIQD-UHFFFAOYSA-N 485.614 1.593 30 10 JDEE CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc1OC 1501240984 CFINWULDUBKZOV-FUHWJXTLSA-N 475.571 1.906 30 10 JDEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1502460650 ASFQEQFHDBPPKX-UHFFFAOYSA-N 487.586 1.157 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCCN(C)C)c1 1507539184 RXVHTBVFKQRDCS-GHTZIAJQSA-N 490.630 1.058 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)NC(C)C)c1 1507549893 AZGZNEUYNAJUPJ-LJQANCHMSA-N 488.614 1.556 30 10 JDEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCS(=O)(=O)NC)[C@@H]1CCS(=O)(=O)C1 1507625619 AFAGXPXYQXIDOO-LJQANCHMSA-N 493.655 1.419 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1507627737 FWCJOBUODMRQPU-INIZCTEOSA-N 463.991 1.997 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1507632098 WTRXZLYIVIFHLW-IBGZPJMESA-N 465.539 1.369 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1507659493 YINLIVYVAPYVSB-OTWHNJEPSA-N 469.508 1.728 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1507670932 DXASJAFWJNHOGL-NJYVYQBISA-N 476.647 1.194 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccc(F)cc1 1507709992 ASPLKIQFKWQAJQ-YLJYHZDGSA-N 479.578 1.640 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(Cc3ccc(F)cc3)CC2)CC1 1507722207 REYXCDMSXJCUGJ-GOSISDBHSA-N 474.606 1.806 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)N2CCc3ccccc32)CC1 1507722277 SMMLEWKLYGSMCY-MOPGFXCFSA-N 471.631 1.095 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1507752208 WVATXJZVFGFFHA-HXOBKFHXSA-N 490.630 1.669 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1507844284 HBGSSNKDWPQXCI-LJQANCHMSA-N 487.626 1.796 30 10 JDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1507966664 ANXFCBMWUBHXKR-RBUKOAKNSA-N 453.609 1.769 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2nccc(OCC)n2)CC1 1508086877 PNQJNKSWQYGGKU-UHFFFAOYSA-N 476.585 1.995 30 10 JDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1cccc(C(=O)NC)c1 1516591768 HBYUORJEQWIZFJ-KRWDZBQOSA-N 475.557 1.599 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2ccccc2OC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1516849438 GQMNWDNJNLRNDQ-UHFFFAOYSA-N 496.597 1.486 30 10 JDEE COC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CC1 1517692183 IEVZHXUSKFRQCN-IBGZPJMESA-N 472.571 1.918 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN(C)S(=O)(=O)CC 1539016070 SPUGYILBRRTEFS-MSOLQXFVSA-N 498.650 1.716 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC(=O)NC(C)C)c1 1539039774 HLVWUYLEPBADGT-VWLOTQADSA-N 482.585 1.900 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1539207030 YVBSYWQDGCSKRJ-BWAGFHJFSA-N 468.620 1.352 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCN1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 1539219497 KKXAVPGYTGZQFK-JOCHJYFZSA-N 485.654 1.651 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539231195 SWPMCXFPCFLRTM-GOSISDBHSA-N 459.572 1.134 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CC1(NC(=O)OC(C)(C)C)COC1 1539291489 RLGWKIIOBUPEKH-UHFFFAOYSA-N 472.590 1.953 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2OC(F)(F)F)CC1 1539446363 BUKOPWXUFBRQDU-QGZVFWFLSA-N 483.516 1.882 30 10 JDEE C#CCN1CCN(c2nnc(COCC)n2CCCN2CCN(c3ccncc3)CC2)CC1 1539463183 WNPACCATMWXJLX-UHFFFAOYSA-N 452.607 1.177 30 10 JDEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539497271 KXWQAYQUZWSSSD-NVXWUHKLSA-N 489.001 1.585 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cnn(C)c1 1539578944 FYAQWCKJPYPVAE-GXTWGEPZSA-N 458.386 1.872 30 10 JDEE C=C(Cl)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)NCCOC)CC1 1539802883 BGJBBMHIDVECNR-LJQANCHMSA-N 476.965 1.428 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1540019772 MSYKMQNEERGNCK-HXUWFJFHSA-N 457.579 1.826 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1540865439 GUZWESUVHOQLKC-MRXNPFEDSA-N 497.419 1.528 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1540874714 PJCNGICDCUDNMF-OAQYLSRUSA-N 469.638 1.047 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1540879591 IYGZRPZFWYGNCT-FUHWJXTLSA-N 489.602 1.057 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCc2ccccc2)CC1 1540897214 DHBFOZPMAOIBNZ-UHFFFAOYSA-N 486.642 1.480 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](COC)C1 1540898685 RAGBZAPYURKYHN-QGZVFWFLSA-N 482.628 1.812 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCOc2ccc(NS(C)(=O)=O)cc2)c1 1546145217 FFNCVKJKEDNQGE-UHFFFAOYSA-N 450.538 1.664 30 10 JDEE CCc1nn(C)c(CC)c1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1546390841 GFAVLLFDLBJLAD-KXBFYZLASA-N 478.623 1.256 30 10 JDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCOCC2)C[C@@H]1C 1555584493 HQHGLNDQVFMGMP-IBGZPJMESA-N 454.575 1.905 30 10 JDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1585593611 KXLFAGBVORQPIU-UHFFFAOYSA-N 456.948 1.778 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1588039750 DRMOMIDIGGHNJP-SFHVURJKSA-N 474.583 1.894 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)s1 1588138453 CZNJKWKREBERPM-MRXNPFEDSA-N 468.004 1.641 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(N(C)C)nc2)CC1 1588749933 AZUCMUQYSJSQNK-DEOSSOPVSA-N 453.591 1.583 30 10 JDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H](C)CN2CCOCC2)CC1 1588858185 YVLDJAXVGNMACB-QFIPXVFZSA-N 452.603 1.623 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1588961781 LUHUZHBJKJHUFV-FPOVZHCZSA-N 470.618 1.962 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1588968846 RFIYNKDEYSRTSZ-INIZCTEOSA-N 456.513 1.665 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccnn2C)CC1 1588983863 CTSDMILRJYMUQA-OAHLLOKOSA-N 451.622 1.372 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1589037432 ZWVQGSQGCTYMNV-MRXNPFEDSA-N 450.586 1.952 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2cnccn2)CC1 1595477305 SSVHLFAOYVQCDK-KRWDZBQOSA-N 466.521 1.976 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC3(CC2)COC(=O)N3)cc1 1595607971 NPAMELWIKIWKJI-INIZCTEOSA-N 490.586 1.580 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1nncn1C 1595650101 WZFFRCSVVWCHLY-WMZOPIPTSA-N 486.602 1.971 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN2CCCC[C@@H]2C1 1595811810 BSVFDAOECREXJD-GOSISDBHSA-N 450.634 1.909 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1595821893 DGSQBWSJWQRSAG-GOSISDBHSA-N 482.628 1.698 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCCC1 1617907311 CDZMDBJISOYWCL-GOSISDBHSA-N 456.572 1.734 30 10 JDEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)C1 1618653725 GSGFAECYRJXWJB-ICSRJNTNSA-N 467.574 1.412 30 10 JDEE N#Cc1ccc(CN2CCCN(C(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)CC2)cc1 1623601765 CLXXBHNGLZNWBF-UHFFFAOYSA-N 452.540 1.447 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N(CCCNC(=O)OC(C)(C)C)Cc2ccccc2)C1=O 1626708483 LAGQZSWPWWNTFN-UHFFFAOYSA-N 458.515 1.907 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)C1 1634107906 HTJBBOGYCZIBQA-RDJZCZTQSA-N 455.581 1.345 30 10 JDEE N#CCC1(O)CN(C(=O)c2cc(S(=O)(=O)NCc3cccnc3)c(Cl)cc2Cl)C1 1638886187 BGQNOPYLBPBMGJ-UHFFFAOYSA-N 455.323 1.967 30 10 JDEE C#CCC1(NC(=O)c2cc(S(=O)(=O)N3CCN(CC)CC3)ccc2Cl)CCOCC1 1645730131 PQAODJPSHLQYNA-UHFFFAOYSA-N 453.992 1.969 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@H]3CCCCN(C)C3=O)nnc12 1648963428 ARPFALSGGBLJTI-KRWDZBQOSA-N 454.556 1.792 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N1CCOCC1 1689826951 XJTHRDVAESRWOL-ULQDDVLXSA-N 466.633 1.481 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](COC)OC)c1 1689868435 GSODBYAYYPWATC-IBGZPJMESA-N 454.531 1.232 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1689980730 WOHQGUHKHAFRDK-IRXDYDNUSA-N 475.546 1.486 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1689998717 UQXLPWJPNQOMFP-UHFFFAOYSA-N 460.586 1.172 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)OCCO3)CC1 1690135504 YPBLNHHFMOHEBQ-UHFFFAOYSA-N 466.542 1.202 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOc2ccc(C)cc2)CC1 1690143999 IVGYQFMLPZHJQE-OAQYLSRUSA-N 464.570 1.973 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCCCO2 1690597567 XOBVXPNUFSKBNZ-NRFANRHFSA-N 489.598 1.999 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)S[C@H](C)C1 1690668685 FDLGCBHOQVULTH-GASCZTMLSA-N 453.572 1.824 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1690671854 APZLLAMKSDMPIF-FXAWDEMLSA-N 468.558 1.835 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)C[C@H]2C)cc1 1690679438 UYIGREWPLYCDRU-CVEARBPZSA-N 462.576 1.168 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NC(C)C)C[C@H]2C)CC1 1690863534 GINDWTXYRMUERS-XMSQKQJNSA-N 478.601 1.330 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2C)CC1 1695936857 DCNDZQWTPMEWST-UHFFFAOYSA-N 477.573 1.077 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(NC(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1705565146 GQZOMDRIATZHSB-PKOBYXMFSA-N 472.571 1.338 30 10 JDEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1705567293 VWYGXRFAOBNFDC-GOSISDBHSA-N 482.610 1.978 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOC(C)(C)C1 1705624718 MNJYUUMNCZYUIK-UHFFFAOYSA-N 455.559 1.913 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2OC(C)C)CC1 1705632782 BHRFXVHNLUEYBT-GOSISDBHSA-N 460.604 1.479 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2OCCOC)CC1 1705639114 GMRGFAMOXJEWAX-OAQYLSRUSA-N 487.626 1.317 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1705649925 ICCMHYNXKSUBNV-UHFFFAOYSA-N 499.637 1.833 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1705674903 UPDOGJHBZPKTCO-ISHFTEKXSA-N 494.662 1.102 30 10 JDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705725677 MWOAVVWOPZZNNO-IAGOWNOFSA-N 484.623 1.681 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1705725872 WBNYKRBKNFWGJL-WOJBJXKFSA-N 461.588 1.635 30 10 JDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1705739948 WZEIGUGUDJRQEU-UHFFFAOYSA-N 466.586 1.885 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1705830907 XTFRSLPQIOFGOS-QRVBRYPASA-N 469.608 1.352 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCOC1 1705864806 NBUCVBBRUKLRKD-UWJYYQICSA-N 450.536 1.663 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)CN2CCCC2)C1 1705925714 SSVIKMMRGGCALF-VAMGGRTRSA-N 482.651 1.124 30 10 JDEE CC(C)(C)c1csc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)n1 1706101443 CYZLGHGXGNKUFW-VLIAUNLRSA-N 497.622 1.855 30 10 JDEE CC(C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1706245910 DQYBNDZVQSKOHL-BWKNWUBXSA-N 465.602 1.967 30 10 JDEE CCCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)NC)cc1OC 1709854633 BYWSTTUPGHIPHT-HXUWFJFHSA-N 466.539 1.734 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H](C)CN2CCOCC2)c1 1722307932 YZLMGBCIVYGMOZ-HXUWFJFHSA-N 493.612 1.425 30 10 JDEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CCS(=O)(=O)C1 1722346177 OGZYXFWVCNPWGC-QGZVFWFLSA-N 457.325 1.466 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(OC)nc1OC)[C@@H]1CCS(=O)(=O)C1 1722360089 CWKIOSCANGLIDA-QGZVFWFLSA-N 470.555 1.371 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1722370880 FPKJOODPEUNIRV-IBGZPJMESA-N 471.583 1.474 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1722372984 HNZOJPJAIGULHJ-HNNXBMFYSA-N 452.544 1.103 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1722400624 UUUVHWXBGDVEFS-PQXIJOGNSA-N 455.603 1.905 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1722431893 PNSGWMXQNGIBPV-LJQANCHMSA-N 490.543 1.164 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCn2cncn2)CC1 1722444320 WQCVLBWYZCZLAS-UHFFFAOYSA-N 483.374 1.965 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCN2CCC)CC1 1722447814 QJDBWWGPHVVPSO-SFTDATJTSA-N 490.674 1.411 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@]2(O)CCO[C@H]2C)CC1 1722448988 KDXGIXUEXLKWMI-DFBJGRDBSA-N 451.571 1.683 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)c2cccc(C)c2)CC1 1722452981 MTBPLIKWVVWMNP-OAQYLSRUSA-N 464.570 1.834 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC2(O)CCS(=O)(=O)CC2)C1 1722723481 ZCCZFXVIXZXSMN-KRWDZBQOSA-N 467.617 1.355 30 10 JDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1722735234 OHCOROOVYCCCMJ-HDICACEKSA-N 465.601 1.676 30 10 JDEE CCCCN1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1728071137 CUJXRZBMMNNDIS-QKLQHJQFSA-N 455.604 1.985 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CCn2cncn2)c1 1740564973 FCEGAKBTUJBPSV-RXVVDRJESA-N 464.530 1.350 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1740616541 CIDPCPGSHGBUOO-VCJKXJKGSA-N 482.603 1.953 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1740627697 JHFVCSGQHRTPDK-HKWLWRMCSA-N 470.661 1.592 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(C(N)=O)CCOCC1 1740635029 KPUYZTBKVLVZRK-UHFFFAOYSA-N 451.527 1.707 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)N[C@@H](C)CC)CC1 1740700508 BTPXFPRBAIJJLM-KRWDZBQOSA-N 480.573 1.196 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(OC)CCOC2)CC1 1740708439 POLZRSNPXPPBJP-VWLOTQADSA-N 467.570 1.671 30 10 JDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1740782498 RSDXZMXULMWQTD-IBGZPJMESA-N 464.636 1.281 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCC1CCOCC1 1740959560 ZRUQSMHUVBYILK-UHFFFAOYSA-N 475.619 1.793 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(=O)NCC(F)F)C1 1740979131 HJCANQOXOUSQKA-HNNXBMFYSA-N 487.511 1.838 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(F)(F)Br)C1 1740981572 PPLVISWPGDXXID-NEPJUHHUSA-N 455.325 1.949 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1740991333 UEEKFBOKBFEXMZ-OALUTQOASA-N 475.571 1.417 30 10 JDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2CCOC[C@H]2C1 1740996619 GAKYCWZXWGASSE-GOSISDBHSA-N 463.629 1.789 30 10 JDEE CC(=O)N1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 1741022360 AYKPVAIBCGMOHO-QGZVFWFLSA-N 494.604 1.052 30 10 JDEE CCn1cnnc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1746361499 GYWQMMTZZXNCPK-UHFFFAOYSA-N 463.546 1.995 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCCN2CCCCC2=O)c1 1748690170 NMIBCICZMIZEFC-UHFFFAOYSA-N 479.585 1.875 30 10 JDEE C#CCN(c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1748815332 OYBZUTKHKXRIHF-QGZVFWFLSA-N 484.582 1.509 30 10 JDEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1748823973 GJSGMIRJXXONAO-INIZCTEOSA-N 497.593 1.887 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCc2ccccc2C1 1748892756 WPHULJIACHIRRJ-HSZRJFAPSA-N 496.637 1.132 30 10 JDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)Cc1ccccc1 1748900480 DQOLQSZRSQPERL-UHFFFAOYSA-N 453.568 1.478 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)Nc1c(C)cccc1C 1748930143 ZIVXFPMVUPBPKF-SFHVURJKSA-N 474.587 1.326 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748944527 ZVYUZZYHEHTIDP-SFHVURJKSA-N 469.546 1.796 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2cccc(N3CCOCC3)n2)CC1 1749014596 KVMNYEILTPUGKV-UHFFFAOYSA-N 465.602 1.722 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1749022422 JONFSAOROSEFOZ-SFHVURJKSA-N 487.655 1.449 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1749037752 IAWSMLVIMKIDNP-BZSNNMDCSA-N 455.650 1.992 30 10 JDEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1 1749229353 JVRVBJKTNLMITM-MSOLQXFVSA-N 478.594 1.846 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@H](OC)C2)cc1 1749686766 YJMKKQGJVNDKLY-NHCUHLMSSA-N 491.614 1.839 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC[S@@](=O)CC)C1 1749707401 WAXDEJKTVUDCIL-KNTRGWTASA-N 456.572 1.742 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OCC)CC1 1749736066 ZEGMSYGPSMEPFU-LJQANCHMSA-N 491.570 1.670 30 10 JDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C[C@]2(CCCOC2)O1 1752311740 FMNBVRCHYSQEPC-NYHFZMIOSA-N 460.485 1.972 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C(C)C)C(C)C 1760116915 LDMBKFDLCJTKSU-RBUKOAKNSA-N 454.641 1.578 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760181125 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1760512914 ZFDROPDXXPRXOB-INIZCTEOSA-N 452.519 1.974 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1760524444 YDRSTJLQWWHIQU-LJQANCHMSA-N 488.614 1.641 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1760524835 KXXQDWLZXPBFNA-FQEVSTJZSA-N 455.582 1.526 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](C)(C(=O)NC)C2)cc1 1760530296 RYACVKOZZIWQNS-MBSDFSHPSA-N 473.599 1.756 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCCS2(=O)=O)C1 1760535784 XEXOKPUXXYIMDG-ZWKOTPCHSA-N 453.609 1.945 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccco2)CC1 1760560507 XIGIFTKUXDFXCW-HNNXBMFYSA-N 468.605 1.363 30 10 JDEE CCN1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 1765505670 CTKDMMLMBANTGD-IRLDBZIGSA-N 494.644 1.847 30 10 JDEE N#CC1CCN(CCNC(=O)C[C@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)CC1 1890613356 WUBXJEFBBIYBGC-SFHVURJKSA-N 463.567 1.971 30 10 JDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1892355330 BQBZQYHNWYUNTR-HXUWFJFHSA-N 484.538 1.753 30 10 JDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C2)C1 2255170645 IRKYICUIUOUGST-ZGHKZJBCSA-N 451.520 1.874 30 10 JDEE C[C@H](O)CN(CCNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255635527 HRWIBQNBGODLBU-ZDUSSCGKSA-N 455.386 1.790 30 10 JDEE C[C@@H](CN(C)C(=O)OC(C)(C)C)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255795933 KCSFCHIEKOKTGT-ZDUSSCGKSA-N 458.390 1.253 30 10 JDEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2267156265 HIEVITNAAWHWLB-AWEZNQCLSA-N 466.413 1.723 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267221451 VYOVVARWECGKGY-QLFBSQMISA-N 468.381 1.118 30 10 JDEE Cn1cc(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)c(CNC(=O)OC(C)(C)C)n1 2268645985 XABAONBILCEORP-UHFFFAOYSA-N 464.357 1.270 30 10 JDEE CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)NCc3ncc(B4OC(C)(C)C(C)(C)O4)s3)(C1)C2 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C=C(CS(=O)(=O)N1CCC(=O)NCCN(C(=O)OC(C)(C)C)CC1)B1OC(C)(C)C(C)(C)O1 2282867071 SVSYDRHKWWQGDQ-UHFFFAOYSA-N 487.428 1.563 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282989804 KFZTZUYRHHGXTL-JKSUJKDBSA-N 462.352 1.792 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2284123907 BQPGHUYLFGKIHF-ZHRRBRCNSA-N 482.408 1.396 30 10 JDEE C[C@H](OCc1ccccc1)[C@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284410445 BRZVNZYITMCVDQ-YOEHRIQHSA-N 496.416 1.920 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1 2315534392 OVHVYBRWFHWFIT-FGTMMUONSA-N 466.347 1.859 30 10 JDEE CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](S)CCN1C(=O)N(C)C(C)(C)C1=O)C(C)(C)C 3939175 GTXSRFUZSLTDFX-HRCADAONSA-N 499.678 1.155 30 10 JDEE investigational N#C[C@@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@@H]1c1ccc(Br)cc1 72443860 ZJHHOVJPPKWALH-UONOGXRCSA-N 471.315 1.458 30 10 JDEE 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C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1300407554 AYJOVQVMORZHHW-LJQANCHMSA-N 454.506 1.509 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 1300482741 GVWNSVHXFHKZIP-YJBOKZPZSA-N 468.526 1.955 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2[nH]c(C)c(C)c2c1 1300537405 GQEXVZQENZVXJW-QFIPXVFZSA-N 480.594 1.830 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1300538218 OOBHACUESWXFPN-YADHBBJMSA-N 467.595 1.154 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300553738 QUTDGLHWQNCYRB-CTNGQTDRSA-N 488.658 1.864 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCS(=O)(=O)C1 1300657222 HOVPFWQRYSEAAW-QGZVFWFLSA-N 462.572 1.873 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCNS(=O)(=O)CC)CC1 1300684946 CUKGJRMOSGLELP-UHFFFAOYSA-N 484.424 1.120 30 10 JDEE C#CCSCCn1c(COCC)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1300777550 YDNYNNCKUBRKBH-ZACQAIPSSA-N 499.659 1.308 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1301422636 RFUFOCCKYIWIEG-QHCPKHFHSA-N 451.531 1.309 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1csc(Br)c1 1301498336 MYPNLHXTOAMSHN-LBPRGKRZSA-N 453.366 1.992 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](COC)C1 1301576945 IUDSCDAYIDDMCS-SFHVURJKSA-N 457.556 1.946 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1301611822 HCVZZNZFIFOPBS-SJORKVTESA-N 455.650 1.842 30 10 JDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1313557470 HHYVGZNPCFFCAX-SFHVURJKSA-N 465.558 1.702 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1358959864 RCZSDWABMLCSNI-INIZCTEOSA-N 475.962 1.944 30 10 JDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1359057055 RCBZYYXCYHGRNJ-KRWDZBQOSA-N 459.576 1.206 30 10 JDEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1359147118 UTABHXZXUQRHSC-UHFFFAOYSA-N 474.949 1.214 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C(=O)OC(C)(C)C 1359272027 JJLUBIAVZMGZIH-QGZVFWFLSA-N 484.623 1.656 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1359304273 SVIVXCLMQDASNK-UHFFFAOYSA-N 463.542 1.526 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cccc(F)c2F)CC1 1359306921 VESAHJZPSOYNBB-KKSFZXQISA-N 476.528 1.909 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1359326954 NYTPJOUXXIPNPR-GOSISDBHSA-N 483.541 1.873 30 10 JDEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1359642729 BHUKOQHCYLSWEL-UHFFFAOYSA-N 479.585 1.950 30 10 JDEE C=CCN(C)C(=O)CCCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1459245598 QUZVNTQPNNMPLN-UHFFFAOYSA-N 457.980 1.996 30 10 JDEE N#Cc1ccc(N2CCN(S(=O)(=O)CCNS(=O)(=O)c3ccccc3)CC2)c(F)c1 1462988706 GJAGDHQSQHIEHO-UHFFFAOYSA-N 452.533 1.128 30 10 JDEE C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(CO)CO)c1 1466166403 KQEFLOQBJFJZSJ-UHFFFAOYSA-N 454.932 1.813 30 10 JDEE CCN(CCC#N)S(=O)(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 1474937771 FSVLCLOHCXOVCH-UHFFFAOYSA-N 451.574 1.412 30 10 JDEE COc1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)ccc1OCCO 1504090125 FXGWDERXAMTXCE-HXOBKFHXSA-N 454.531 1.787 30 10 JDEE COC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)OC 1504586795 BMKZGEAEFGEWJF-VQTJNVASSA-N 453.547 1.084 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)N1CCSCC1 1507655835 CVSAQDLFPLMFPP-UHFFFAOYSA-N 464.642 1.085 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(c2ccccc2)C1 1507710020 BFBYCZGSXRKSIX-VTLFHKLASA-N 487.626 1.891 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2cnnn2C)CC1 1507735472 AODJDEANWSEBTK-MRXNPFEDSA-N 466.521 1.700 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(SC)CCN(C)CC1 1507773062 OVZPTHMTMUCQSD-FXAWDEMLSA-N 451.662 2.000 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507798414 NXTWHWAGKLTITB-NFBKMPQASA-N 474.650 1.829 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507799427 JXAYHZFDHYYMHZ-AYBZRNKSSA-N 466.608 1.071 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)(C)C)CC1 1507955346 XEBOPQCFLZLBPY-SFHVURJKSA-N 454.641 1.888 30 10 JDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1508070747 CCZICRYEBBBEEC-XWUOBKMESA-N 460.623 1.815 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)cc2F)C1 1508122506 DYDPLHMTKCCNFI-AZUAARDMSA-N 495.577 1.588 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(OC)C2CC2)C1 1508125066 NKEAGFIJHUKPSY-DBXWQHBBSA-N 469.608 1.207 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1508143010 IOVAMGJIWKUVLC-GOSISDBHSA-N 461.588 1.776 30 10 JDEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1508166812 DCCORIOEIHCMEZ-QGZVFWFLSA-N 472.640 1.945 30 10 JDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)C[C@@H](C)O1 1514136547 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MCUQFOGMJNSUMI-NHCUHLMSSA-N 453.609 1.639 30 10 JDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CC(=O)N(CCOC)C1 1540052100 XHFIPOVRTYXMOI-QGZVFWFLSA-N 475.619 1.664 30 10 JDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1540078085 YKGFONJVNCGXCL-IRXDYDNUSA-N 484.623 1.490 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nnc(C)s1)C1CC1 1540109478 QNBNTEAHGPBLLC-OAHLLOKOSA-N 453.594 1.168 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COCCO1 1540133853 OWBLDJNNSUONGX-PMACEKPBSA-N 477.587 1.219 30 10 JDEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 1540845756 GEXXBPVAMQTHMA-CALCHBBNSA-N 450.561 1.214 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1540872507 RLVXOVOCAKCMPN-UONOGXRCSA-N 455.531 1.707 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1540900907 MPBMSWHMHBJOMP-IBGZPJMESA-N 459.620 1.157 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1540901981 WSXPSVXDNDOQAR-CQSZACIVSA-N 459.498 1.409 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)c1nccs1 1540903271 BVFSXGZPNIOKHR-HUUCEWRRSA-N 473.646 1.477 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)CCO1 1541072410 HMEVREMGGGIZJR-NRFANRHFSA-N 467.574 1.269 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCC(O)CC1 1541112490 HYURVJWYLTYXBE-QGZVFWFLSA-N 464.574 1.635 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1588049609 JKSQTYFWNLBKFM-HXUWFJFHSA-N 467.555 1.312 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1588069352 MDNJZFAYIOUKAP-PKOBYXMFSA-N 480.974 1.553 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1588069582 QSJGFFKMYJKHAV-HXUWFJFHSA-N 473.599 1.627 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1588069880 UNZKSRUHYFHMBN-OAQYLSRUSA-N 480.594 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473.599 1.872 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1760516721 UIQZPEZUAQTCRY-HSALFYBXSA-N 459.639 1.720 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1760522051 KRVBRYHJOPGFAZ-CRAIPNDOSA-N 457.510 1.624 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)(C)C)CC1 1760557208 DIHKQKIXYDQQBH-UHFFFAOYSA-N 480.660 1.791 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CC1(O)CCS(=O)(=O)CC1 1767087637 DALDRSNYJYOIQE-UHFFFAOYSA-N 454.556 1.731 30 10 JDEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)C1 1767673039 CHVAUKCIWLCFRL-ICSRJNTNSA-N 467.574 1.412 30 10 JDEE CNc1cc(N2CCC[C@H]2Cn2c(CN3CCCC3=O)nnc2N(C)C[C@H](C)C#N)ncn1 1767837369 FELHUBIZOAMJCE-SJORKVTESA-N 452.567 1.497 30 10 JDEE CN(C)CC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1768506191 AIGVOWDBGXFXKS-GOSISDBHSA-N 460.604 1.940 30 10 JDEE CS(=O)(=O)C1(Cn2c(COc3ccc(Br)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 1770309060 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481.619 1.875 30 10 JDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1540033223 BDYQKXAKUWBTKI-LJQANCHMSA-N 454.579 1.461 30 10 JDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1540039620 CXVQWNYKHIFMAH-UHFFFAOYSA-N 454.575 1.932 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1540863591 YYRZODKUZDTTGL-WBVHZDCISA-N 464.567 1.399 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](C(N)=O)C1 1540898415 JSGWXPMLAITHMJ-KRWDZBQOSA-N 469.571 1.638 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](COC)C1 1540902076 ZUQRUIGNUZSFCV-HOTGVXAUSA-N 488.570 1.435 30 10 JDEE C=CCn1c(SCC(=O)NCCS(N)(=O)=O)nnc1-c1ccc(Cl)cc1Cl 1544312163 IDJLSKLZRPPCRP-UHFFFAOYSA-N 450.373 1.935 30 10 JDEE CCN(CC)C(=O)CCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1547410351 ABIUABHXOOTTDH-RTBURBONSA-N 481.605 1.807 30 10 JDEE CSc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCNS(C)(=O)=O)ccn1 1555871220 AASWGGHNYGFDCV-UHFFFAOYSA-N 457.585 1.967 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C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689988710 UUUKCAZQANFTRT-IAGOWNOFSA-N 494.618 1.161 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCOC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1689989373 FANUJVGMKGIJEZ-MOPGFXCFSA-N 452.621 1.937 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCc2ccccc2C1 1690103455 CWUHGGHEZPHLSO-SIKLNZKXSA-N 471.627 1.713 30 10 JDEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1690105937 FHAASLFAKJMKDZ-JOCHJYFZSA-N 462.572 1.110 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC2CCN(CCN(C)C)CC2)CC1 1690128727 ISNFHVKCGZDKHI-UHFFFAOYSA-N 450.635 1.293 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCc2cn[nH]c2)CC1 1690152590 QMCODLKWXUQHNE-UHFFFAOYSA-N 451.506 1.928 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1690714868 WZBNQOLSEPEBIQ-ZIAGYGMSSA-N 488.492 1.682 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCCO1 1690723077 GSEANNGAYWHUQD-MRXNPFEDSA-N 472.571 1.408 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1690723202 LARKYMXJJQPFGV-ZWKOTPCHSA-N 481.525 1.686 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1690724065 HLKZGRFMOSFKSI-MOPGFXCFSA-N 488.614 1.941 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690726726 JRZBAKMIXPMNSK-LJQANCHMSA-N 458.588 1.220 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1690729216 JHEPTLCWLOMUGA-JOCHJYFZSA-N 461.588 1.776 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1705561252 OLQKMXHGLNILMK-JTAQYXEDSA-N 479.647 1.431 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 1705562227 YWZPNNAMLWMYRP-HXUWFJFHSA-N 494.577 1.747 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1705564283 AMLHOMBIHKUQJY-FQEVSTJZSA-N 459.620 1.571 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1705577294 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SRUXHNRLLCJYKK-UHFFFAOYSA-N 456.547 1.713 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1705901856 YEOUSZRTMUVNBW-FQEVSTJZSA-N 479.585 1.203 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1705902065 FJQNKGIHBJXXNB-UHFFFAOYSA-N 479.629 1.945 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccsc2)CC1 1705936191 LLYRYTGOCDSPCV-GOSISDBHSA-N 499.684 1.165 30 10 JDEE CCCN(CC)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1709714702 FLGGPPNJXFKLGJ-IBGZPJMESA-N 475.619 1.656 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(C#N)CC1 1711018774 HSZVNWMVLBQCGM-UHFFFAOYSA-N 454.560 1.967 30 10 JDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722339878 FSRMUHYXVSUULI-UHFFFAOYSA-N 468.558 1.853 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722367314 MOSWJXZVFZLPEX-DLBZAZTESA-N 472.633 1.012 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)c2ccc(F)cc2)CC1 1722436496 AEQRFBYAUMAZSP-RXVVDRJESA-N 490.605 1.309 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCSCC#C)CC1 1722445799 DGCGVKDUWASUIE-UHFFFAOYSA-N 499.666 1.570 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CC(F)(F)C2)CC1 1722448160 UXHWYNXFUXIZGN-MRXNPFEDSA-N 455.531 1.191 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC(=O)N(C)C)CC1 1722695527 GOEPULUHOHHPRD-UHFFFAOYSA-N 480.400 1.764 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccsc2)CC1 1722723653 BJTNYQFUIYKBNQ-OAHLLOKOSA-N 487.673 1.935 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1722726197 YESUWIFOMWAGKE-QGZVFWFLSA-N 498.565 1.802 30 10 JDEE CC(C)N1CCC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)CC1 1723541678 FCBCAXDASFRMJW-UHFFFAOYSA-N 481.601 1.523 30 10 JDEE Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3ccc(C#N)cn3)CC2)c(F)c1 1724351759 BERBTJFUGWTBRN-QGZVFWFLSA-N 498.588 1.977 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC2(C(N)=O)CCOCC2)c1 1740565195 MJWZHSSPTWWTSH-UHFFFAOYSA-N 454.531 1.153 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1740627222 FIAJLERKYBOQCD-ILWGZMRPSA-N 488.610 1.641 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1740707549 GYUJGJQCLKJYIY-UHFFFAOYSA-N 487.564 1.674 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(F)(F)Br)CC1 1740709388 GBTMBXTYEYDYBA-GJZGRUSLSA-N 490.349 1.956 30 10 JDEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1740864347 JAGXSDDAHNZJSB-UHFFFAOYSA-N 487.630 1.498 30 10 JDEE C=CCN(CCOC)c1nnc(-c2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1 1740940064 RGUPOAIZQPVESE-UHFFFAOYSA-N 450.561 1.532 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1740954270 HLGHHAOLWIWKGY-QGZVFWFLSA-N 455.519 1.897 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)nnc1C(C)(C)C 1740965671 RBRFYRWUHFYLTM-UHFFFAOYSA-N 470.603 1.269 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(C(N)=O)C1 1740968318 HTPLFNFDNCJCBG-BTYIYWSLSA-N 462.576 1.203 30 10 JDEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)CCOC1 1746655685 DSLQEIJUJCOUGK-DEOSSOPVSA-N 468.558 1.720 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCN1CCOC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1748811721 KIBHNGDBEGRJRR-SFHVURJKSA-N 458.588 1.078 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1c(CC)nn(C)c1OC)[C@H]1CCS(=O)(=O)C1 1748818156 WPLWAHDZYGTWLF-INIZCTEOSA-N 462.620 1.846 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1748979328 YJYKTEUFOSQMHJ-QGZVFWFLSA-N 495.650 1.043 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCNC(=O)C(C)C)CC1 1748979661 IGTPJOQUPFIPSN-UHFFFAOYSA-N 470.574 1.498 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1748998796 ADNINSGOGDAETP-LJQANCHMSA-N 488.614 1.045 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC(C)(C)O)CC1 1749009075 FOEOHASPSBLPPB-UHFFFAOYSA-N 480.617 1.579 30 10 JDEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1749363421 COOSJYLHJFTYJR-UHFFFAOYSA-N 479.589 1.717 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)Cc1cnn(C)c1 1749667377 ZNLUUWDMROYNHE-UHFFFAOYSA-N 475.557 1.737 30 10 JDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749689241 BCWKJQHTYNJKSE-HXUWFJFHSA-N 451.531 1.633 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC2(C(=O)NCC)CCC2)c1 1760127589 FKDVJXINIVSVCD-UHFFFAOYSA-N 491.596 1.763 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1760187425 DEXVUSQLTZLUCR-MSOLQXFVSA-N 498.609 1.634 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1760248701 CPVPHPAMDLVNRF-SJORKVTESA-N 474.583 1.647 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCOC[C@@H]2CCCO2)CC1 1760267975 IMMBADVDTYATCK-FQEVSTJZSA-N 452.559 1.892 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1760412209 XUWVHGZTHIPISR-YSIASYRMSA-N 457.623 1.820 30 10 JDEE C=CCn1c(-c2cnccn2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1760509121 HDTYJUSRKATNGM-KRWDZBQOSA-N 489.602 1.829 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)OC)CC2)cc1 1760529760 GIADPIQYTDXLID-MRXNPFEDSA-N 478.575 1.390 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H]1CCCOC1 1760550651 FRPXAWGWSUPTDV-KRWDZBQOSA-N 482.628 1.812 30 10 JDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(N)=O)CC1 1760564432 ZEFFFCDROJWIMW-UHFFFAOYSA-N 453.572 1.813 30 10 JDEE CCN(CC)C(=O)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1764874491 DVCWGGQIWBMGNQ-LJQANCHMSA-N 496.620 1.118 30 10 JDEE CN(C)C(=O)Nc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cc1 1768469254 BYCCWYFUNNYLLA-GOSISDBHSA-N 452.519 1.385 30 10 JDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCOCC2)CC1 1769785469 CFXXRCWIWBLSQO-UHFFFAOYSA-N 453.591 1.696 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1772660361 HLWOHRLSKXTIJS-SJORKVTESA-N 475.571 1.278 30 10 JDEE Cc1ccc([C@@H](C#N)NC(=O)CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 1867682716 GCIKTPNKMMFYRW-HXUWFJFHSA-N 490.969 1.780 30 10 JDEE C=CCN(C)S(=O)(=O)Nc1c(I)ncnc1I 2008289852 QKKOZYVKEQRWKF-UHFFFAOYSA-N 480.069 1.460 30 10 JDEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@H](O)C(F)(F)F 2254194151 LNSIXKIOJQTNBW-AGIUHOORSA-N 466.457 1.774 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255643437 UKEAEPSLOQBBNN-OLZOCXBDSA-N 453.370 1.542 30 10 JDEE CC(C)(C)OC(=O)N1CCN(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2255949070 SFPCUUNTMDNJJC-UHFFFAOYSA-N 473.426 1.793 30 10 JDEE Cc1nc(S(=O)(=O)N(C)CCN(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2267412775 RFDDMRABFTXISA-UHFFFAOYSA-N 472.417 1.515 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 2267412903 SSLRUQGWUDIKBB-AWEZNQCLSA-N 470.401 1.255 30 10 JDEE COCCCCN(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267707082 KQRSOOQGBCIEDZ-UHFFFAOYSA-N 464.397 1.732 30 10 JDEE C[C@@H](O)CN(CCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267877878 YOOUYIUACIEGPW-CQSZACIVSA-N 450.345 1.124 30 10 JDEE Cn1cc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)[C@H]3COC[C@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2281979634 FOOUZGSQPYFEIJ-OWCLPIDISA-N 462.356 1.083 30 10 JDEE Cn1nc(C(=O)NC2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282040360 INKDFGCSTCBNGM-UHFFFAOYSA-N 484.746 1.177 30 10 JDEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C2COC2)C1 2282190648 RNAQEXMBSRHPCX-UHFFFAOYSA-N 460.340 1.236 30 10 JDEE CN(C[C@H](O)CN(C)S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2282344905 XOUKQNRNRXEDAX-INIZCTEOSA-N 484.424 1.834 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282496923 JJDPJAQNMBOWEX-LSDHHAIUSA-N 484.428 1.501 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)n1 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481.022 1.594 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1300871814 CZACWTBOSKCAGR-HLIPFELVSA-N 472.594 1.239 30 10 JDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1300950723 NBHKNTICDCYPQY-AWEZNQCLSA-N 451.578 1.463 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCS(=O)(=O)C1 1301410430 FYZDZIDJYIQHGD-IRXDYDNUSA-N 468.601 1.443 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(Cn2cncn2)CC1 1301502153 BXFHVEJNTIQFAO-UHFFFAOYSA-N 456.501 1.957 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCCN2CCC)C1 1301558326 VAVJPXFNGSZVNP-PWRODBHTSA-N 496.678 1.657 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1301578382 ZANBXMRXUGMFHW-LJQANCHMSA-N 479.628 1.550 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1301592912 GMUZJPRRJMCTAW-HSZRJFAPSA-N 473.599 1.934 30 10 JDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1305626602 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JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1507824512 AYDNLAJCNUCBTK-HNNXBMFYSA-N 455.606 1.641 30 10 JDEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](CNC(C)=O)C1 1507845694 NNBOSNXBAOEDQY-NQIIRXRSSA-N 457.531 1.725 30 10 JDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1507925989 NPDSEDZMMBNIBR-WSTZPKSXSA-N 481.667 1.233 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1508093894 WSNGGJVLEBGLPS-CVEARBPZSA-N 473.965 1.988 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@H]2C1 1508103916 FOZWHEFVAXYBPH-AEFFLSMTSA-N 474.587 1.312 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cn3ccccc3n2)C1 1508118050 VZWCBMBJJFZMDK-WMZOPIPTSA-N 459.576 1.560 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(C(N)=O)CCOCC1 1508405710 HZTQLNKAHGEUBF-HNNXBMFYSA-N 473.965 1.739 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2cnc(N3CCOCC3)c(F)c2)ccc1F 1521412581 YJSUTWVIUKZYMF-UHFFFAOYSA-N 452.483 1.591 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1539211642 JNROTHHKJXBBNV-QGZVFWFLSA-N 489.989 1.916 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(n1)CCCC2 1539415308 CGTZFLLNCHIFRN-OAQYLSRUSA-N 488.614 1.019 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(C)Cc2ccccc2)CC1 1539466995 LEZNQKZPNGZJTK-UHFFFAOYSA-N 477.613 1.612 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC(F)(F)C2)CC1 1539469891 VQCSPPUENYCAHP-LSDHHAIUSA-N 472.562 1.290 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCS(=O)(=O)NC)CC1 1539474087 JGIBBHHRHJRJFS-UHFFFAOYSA-N 464.979 1.114 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1539512725 FLWCEUOOXRFPQU-LJQANCHMSA-N 452.584 1.866 30 10 JDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](C(N)=O)C1 1539516793 CVSIOUSZZNKXDQ-GOSISDBHSA-N 454.604 1.520 30 10 JDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1539517681 QRFMTBISBWHIMN-VQTJNVASSA-N 460.648 1.671 30 10 JDEE C=CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1540200543 CKHOBTLXTPMTOW-FQEVSTJZSA-N 454.980 1.711 30 10 JDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1540853950 WNUHLXGVLJPGOD-HNNXBMFYSA-N 452.556 1.544 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](CNC(C)=O)C2)cc1 1540876907 FTCDQTGHIJNZNT-OAQYLSRUSA-N 491.552 1.880 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)CC[C@H]2C1 1540898863 XEVRSXMIPZZEAL-AWEZNQCLSA-N 483.392 1.448 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1540902396 ILJREFDPUSHZTD-MSOLQXFVSA-N 453.609 1.371 30 10 JDEE C#CCSCCNC(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1564047690 FSNUPVNZBNVPKW-UHFFFAOYSA-N 455.602 1.770 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)CC1 1584999909 DXFALWYCCZICFO-UHFFFAOYSA-N 457.534 1.342 30 10 JDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1587803985 RAIHMMOGAWYMTK-UHFFFAOYSA-N 464.979 1.357 30 10 JDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCN(CC)CC1 1588309789 DPCGEKKSKSKYGZ-UHFFFAOYSA-N 472.663 1.725 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCS2)n1 1588723202 KCHQYPDHCPHZGH-IEBWSBKVSA-N 478.644 1.559 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCCN2CCC[C@@H]2CO)CC1 1588780187 JDSKBMUJWHIHEP-JOCHJYFZSA-N 452.603 1.946 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@]2(O)CCOC2)CC1 1588954783 LQUQOBMOJSIRPC-RUZDIDTESA-N 467.570 1.189 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCOC[C@H]2C1 1589006217 CEAVGRQGVKAAPG-LJQANCHMSA-N 490.655 1.083 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CCCO2)CC1 1594733852 YWMFMIJZBAKSQV-RTBURBONSA-N 453.609 1.973 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N1CCCCCC1 1595219280 STNHVVQMBBTWEH-IBGZPJMESA-N 480.635 1.582 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(OC(C)C)CC1 1595530113 TWNHHYCSIMTWLG-UHFFFAOYSA-N 475.619 1.934 30 10 JDEE Cc1nnc(N2CCN(C(=O)c3cnn(CCC#N)c3-c3ccccc3)CC2)c(C(N)=O)c1C 1627403615 CBOJNCJHYJZPPG-UHFFFAOYSA-N 458.526 1.932 30 10 JDEE C#CCN1CCN(C(=O)[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2)CC1 1635017412 VOEQRMGMLGTKLX-HXUWFJFHSA-N 451.439 1.752 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn(CCOC)c1 1689835000 DLCIDVKZOQVKRX-QGZVFWFLSA-N 471.587 1.545 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(Br)C1 1689930011 JEYRQIOXHNMJME-HNNXBMFYSA-N 458.382 1.513 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1689977962 IHWGPCOMIVDLBO-SJORKVTESA-N 451.618 1.284 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1689981759 ASXGKINMTFIACV-FQEVSTJZSA-N 469.567 1.375 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCNC(=O)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1689992868 QFURNSGDVQTRFH-QFIPXVFZSA-N 492.605 1.629 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1689994492 ZGTYKAKFQDODPW-OAQYLSRUSA-N 478.578 1.299 30 10 JDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC1(N2CCOCC2)CC(OCC)C1 1690025417 PPZONJVLQHSIFY-UHFFFAOYSA-N 465.602 1.482 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2sccc2C)CC1 1690146717 UXXFCFWRWRFTFG-SFHVURJKSA-N 475.640 1.759 30 10 JDEE C=CCCOCCn1c(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)nnc1C(C)(C)C 1690512378 VZZOAOOLAHIMKW-GOSISDBHSA-N 455.625 1.799 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1690659675 ZQTWWLKKRKBLMF-UHFFFAOYSA-N 494.531 1.702 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1690717576 JXBOTZZZOGWVII-MRXNPFEDSA-N 478.571 1.953 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1690722662 RDKGBMZWZVYSRB-UHFFFAOYSA-N 457.560 1.663 30 10 JDEE CC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1)N1CCCC1 1694374392 BSRSVOHBJALFAS-RBUKOAKNSA-N 458.588 1.952 30 10 JDEE COCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1698069126 DFFCQAVWXNWRKR-UHFFFAOYSA-N 464.574 1.959 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705566385 NJKMAEJAVUJLED-KZNAEPCWSA-N 481.619 1.570 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705570922 SSLXOVJWUMUTHX-HSZRJFAPSA-N 485.654 1.916 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1705600249 RCUQHXOJWHMPRD-UHFFFAOYSA-N 494.559 1.243 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)c(F)c2)CC1 1705647566 GUNJNZSNCSRSOC-QGZVFWFLSA-N 477.537 1.473 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOCC)CC1 1705658784 AZQFHUBQHSTCSQ-UHFFFAOYSA-N 481.626 1.717 30 10 JDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ncccn2)CC1 1705739516 JBFXPECMVRAKFQ-UHFFFAOYSA-N 468.587 1.979 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1705806069 WELKWKZHWPCXMP-QZTJIDSGSA-N 464.636 1.326 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1705894610 FBHIIZBDKZNLQN-JKSUJKDBSA-N 474.905 1.278 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1705895089 TXAKMGSABBVUKD-FPOVZHCZSA-N 481.601 1.606 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1705895304 BEOKMVOFISZIMP-WMLDXEAASA-N 478.395 1.495 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](CNS(C)(=O)=O)C2)nnc1C1(c2ccccc2)CCC1 1705909382 VNLNVSPJKDSAFN-LJQANCHMSA-N 486.642 1.816 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)C3CCCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1705909412 WWMPHMZBNKNOMC-DEOSSOPVSA-N 474.606 1.461 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCS(=O)CC1 1705937650 ACTCRWPOWDWGCC-UHFFFAOYSA-N 452.602 1.643 30 10 JDEE CCN(CC)C(=O)CCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1709993963 CEOIFAICDRKLHN-QGZVFWFLSA-N 478.557 1.569 30 10 JDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2C)CC1 1711414847 FYNHLNNIKMYILF-PKOBYXMFSA-N 453.547 1.863 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCn2cccn2)c1 1722310084 SIXWMKYGUOZKIX-LJQANCHMSA-N 481.582 1.523 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCN(C)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1722359361 SDBUWPMQVHFVAK-SFHVURJKSA-N 490.605 1.709 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1722360545 UZXCFOTVTILGRK-SFTDATJTSA-N 487.626 1.427 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722363673 BDSOSPKUOJXUPR-IBGZPJMESA-N 492.671 1.371 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1722365244 MDKOUNKKCHVNQT-SJLPKXTDSA-N 463.629 1.862 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(-n2cccn2)cc1 1722382642 BFNSAZIVBRKCOI-JOCHJYFZSA-N 493.593 1.112 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCNS(C)(=O)=O 1722422586 YTDUZIKVUGKAFB-UHFFFAOYSA-N 451.618 1.911 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 1722429321 KCQSOJJBSWYBOK-DEOSSOPVSA-N 493.656 1.853 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCCO2)CC1 1722434408 QTSFGRFSMQIUKV-LJQANCHMSA-N 458.588 1.130 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cnn3ccccc23)CC1 1722441578 SVXBDDKZJMEYRE-UHFFFAOYSA-N 476.585 1.858 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC[C@](C)(O)c2ccccc2)CC1 1722449063 FMSORYIFDOVQTO-SANMLTNESA-N 478.597 1.664 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722501080 VRJJAKNERYGKTR-VMXHOPILSA-N 454.593 1.607 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2nc(CC)ns2)CC1 1722694753 HBTYBYBPCQJXTA-UHFFFAOYSA-N 468.587 1.996 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@H](OC)C1 1722699689 XJTILIHJVPDQEW-FGTMMUONSA-N 478.594 1.750 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1722727055 FUHQCTCBCCESCI-AZUAARDMSA-N 479.647 1.858 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H](C(N)=O)C1 1722727903 PIWMMVYCSNGFAH-KRWDZBQOSA-N 470.555 1.903 30 10 JDEE Cc1cccc(C)c1OCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1724470305 FFPNITAPLAKJAZ-QFBILLFUSA-N 476.603 1.903 30 10 JDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1729203848 HTVQZVBXWOVMLH-UHFFFAOYSA-N 482.614 1.697 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OCCO)c(OC)c1 1740532297 ZRUXNOKPKREBEI-MRXNPFEDSA-N 450.499 1.811 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(I)cc1 1740532341 DPFDRJPBCAPCDC-STQMWFEESA-N 487.367 1.999 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)c2ccco2)c1 1740563386 UIVHWCQLWLASFP-KOSHJBKYSA-N 462.510 1.786 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CC1(SC)CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 1740621496 MICRDWUPWBPWJQ-GOSISDBHSA-N 474.656 1.794 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCOCCC(C)C)[C@H]1CCS(=O)(=O)C1 1740622411 CQSXYMLNKLSRLJ-KRWDZBQOSA-N 477.587 1.695 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1740623540 WILBIGNWIITTOS-WMZOPIPTSA-N 474.562 1.109 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C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1286325161 WIFZSNCXDJLEHU-SJLPKXTDSA-N 461.592 1.558 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C2CC2)C1=O 1286376536 LQNONZKYTHSTCO-GAJHUEQPSA-N 458.563 1.667 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C(C)C)N1CCCC1 1286447863 OBPWHWBRLOEONF-OALUTQOASA-N 452.625 1.191 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)s2)CC1 1286486063 GUESHRVCNIUEFN-ZDUSSCGKSA-N 485.035 1.617 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cnn(C)c2)CC1 1286507989 FDXXUQULTWNQQZ-LJQANCHMSA-N 493.659 1.095 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1286592551 KRCJJMXAVRSRIX-CQSZACIVSA-N 465.498 1.535 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1286814760 GDGOOGWSVLSOEW-IERDGZPVSA-N 477.543 1.838 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1286818631 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C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1301508466 MMKSVDZQJBJOFF-UHFFFAOYSA-N 458.588 1.352 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1301508943 XDYBNCGPDMSJOZ-QGZVFWFLSA-N 456.572 1.666 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1301577251 GOVAKRMBMSWALN-UXHICEINSA-N 457.556 1.802 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1301596319 LGJJAVAQJXEKFB-WOJBJXKFSA-N 488.614 1.079 30 10 JDEE CC(C)(C)OC(=O)N(CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1302219187 GRGBADWEDFGULJ-KRWDZBQOSA-N 459.551 1.642 30 10 JDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1(CS(C)(=O)=O)CC1 1313825837 HYTJXKKCXOJMQX-UHFFFAOYSA-N 465.601 1.512 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1COCC)[C@H]1CCS(=O)(=O)C1 1358963138 CJKNGGLCUZROIX-RTWAWAEBSA-N 458.584 1.994 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1358966900 ZGBSASJLFCNHOU-KRWDZBQOSA-N 465.526 1.071 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1SC 1358979388 KVHUSLRBHOJTEQ-LJQANCHMSA-N 473.624 1.762 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCN(C(C)=O)C1 1358991458 BQWUGBMHVKBXLL-HXUWFJFHSA-N 481.626 1.960 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1Cl 1359025535 RLXSNKXEYJJLBS-LJQANCHMSA-N 482.006 1.593 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1359033466 CTAPEMLNXDPLJH-SFHVURJKSA-N 451.497 1.302 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCCN2CCCO)CC1 1359042906 YMMCCUKBAKSLQD-HXUWFJFHSA-N 454.575 1.659 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1359057212 VJGQEBIOJQWOGE-INIZCTEOSA-N 482.701 1.550 30 10 JDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1359222633 NNYIWZYZFSWFRN-FUHIMQAGSA-N 457.597 1.255 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCOC2)C1 1359326113 SOYGOXCKKCUGFW-OIMFZILRSA-N 463.579 1.982 30 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479.629 1.465 30 10 JDEE C=C(Br)Cn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OCC)CCOC1 1507792612 IYOKKOITQWDWDD-MSOLQXFVSA-N 475.409 1.854 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1507844644 MTUWVUGDDMPOQK-GOSISDBHSA-N 466.608 1.111 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1508084931 DITAPIRXLVJKBT-IAGOWNOFSA-N 453.547 1.255 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC2CCCC2)CC1 1508094357 XLRMFBCKXXBJJJ-MRXNPFEDSA-N 451.593 1.410 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1508134122 BHUNKANCIUOIJX-UHFFFAOYSA-N 488.035 1.717 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCNS(C)(=O)=O 1539012242 JQOCUBNQTKFFJO-INIZCTEOSA-N 468.624 1.790 30 10 JDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1539117179 VDCYPAYHYVJQGJ-QGZVFWFLSA-N 464.551 1.232 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(-c2n[nH]c(C)n2)cc1)[C@@H]1CCS(=O)(=O)C1 1539200538 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C=CCS(=O)(=O)CCn1c(N2CCc3ccc(O)cc3C2)nnc1[C@@]1(OCC)CCOC1 1690731849 RNMNUDABNMAEBA-JOCHJYFZSA-N 462.572 1.799 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](C1CC1)N(C)C 1692533812 CWUDMWZLPDWIAC-APWZRJJASA-N 466.594 1.133 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1692667691 IEKSNOHVPQYGFH-HNNXBMFYSA-N 451.524 1.674 30 10 JDEE CN(C)C(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1696592492 BCKBKWVELYYICD-WIYYLYMNSA-N 466.590 1.878 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCCCOC)[C@@H]1CCS(=O)(=O)C1 1705565947 KWIPNHRWFGPSPT-MRXNPFEDSA-N 463.560 1.449 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@H](O)C1 1705626838 KSYAHEZKCWQFNH-MSOLQXFVSA-N 450.543 1.829 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C(=O)N(CC)CC)cc2)CC1 1705631732 OSZOMTXSKQFGOU-UHFFFAOYSA-N 477.613 1.800 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(Cl)cc2F)CC1 1705639585 RPRHGQKXVIUJLR-IBGZPJMESA-N 496.996 1.207 30 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C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnc2n1CCCCC2 1722375114 JYMNKTRPTNDAFS-UHFFFAOYSA-N 492.609 1.634 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CC[C@H](CO)O1 1722420467 JTSKXDRMIWRGDZ-JKSUJKDBSA-N 452.353 1.672 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722505139 AIUJKSOFVIJAGH-NMLBUPMWSA-N 465.620 1.466 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)Nc1ccc(F)cc1)C1CC1 1722651062 POZZBYHFOUXKMM-SFHVURJKSA-N 478.550 1.544 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1722683062 BRPUPWHGDLKBSW-UHFFFAOYSA-N 483.598 1.915 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1722694770 HXTYYLQPJWJFGY-GHTZIAJQSA-N 451.575 1.236 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](C(=O)OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1722731580 OMUJWXQNBUDBRJ-UWJYYQICSA-N 470.592 1.309 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc(Br)cn1 1722866871 CZSFWZDWESVEPC-QWHCGFSZSA-N 456.370 1.435 30 10 JDEE CC(C)NC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1723630530 AODGNBYQYVMOLC-PMACEKPBSA-N 486.598 1.544 30 10 JDEE Cc1ccc(C(=O)NCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)cc1F 1724247737 DRIXFSYFHPILTM-KSFYIVLOSA-N 491.593 1.896 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1740581022 NIVMKIJRUZCBGT-IAGOWNOFSA-N 478.623 1.691 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(=C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1740616157 UTXDYKIWPUZIQO-FQEVSTJZSA-N 453.568 1.854 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1nnc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 1740624701 AGMWFNJWFKPKKJ-GJZGRUSLSA-N 464.617 1.606 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccccc1-n1ccnc1)[C@H]1CCS(=O)(=O)C1 1740628536 RJTHWSQKTNQEPR-IBGZPJMESA-N 454.556 1.675 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCCCC1 1740640743 VEGXBYDNNILHLL-HXUWFJFHSA-N 477.631 1.671 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1740691407 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BCUKMBDRJVGYMA-GCJKJVERSA-N 461.588 1.639 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1740993172 USYGNLUIVGELLF-UHFFFAOYSA-N 453.515 1.682 30 10 JDEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740997048 LXEUTNCJRLNDPS-AWEZNQCLSA-N 494.419 1.112 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCC1CCOCC1 1741938118 GQWUSGPDJSKUJD-GOSISDBHSA-N 487.630 1.903 30 10 JDEE CCCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1745789400 DSTGSTCWCRWLQZ-UHFFFAOYSA-N 487.568 1.645 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1748808651 FLSOVVFZNJBCEA-QRWLVFNGSA-N 450.948 1.377 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1748810158 SNFCIUCAGYKOEA-IBGZPJMESA-N 459.597 1.559 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)Cc2ccccc2C1 1748858311 OSEXACWDWLIPML-OAQYLSRUSA-N 467.595 1.489 30 10 JDEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@@H]2C1 1749271146 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C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2nccs2)C1 1760136935 DCBUTRIGCNZRTR-IRXDYDNUSA-N 480.616 1.449 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1760184321 VOENXGFMXQNPFP-NZQKXSOJSA-N 484.651 1.881 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCN1CCN(C(C)=O)CC1 1760239984 CWUHKXQZATVZSB-UHFFFAOYSA-N 481.576 1.457 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OCCC 1760294774 GIIFJSUUKQEWJK-AUSIDOKSSA-N 488.614 1.835 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCC2=O)CC1 1760450182 FXNCSDPJCLCTBC-KRWDZBQOSA-N 451.593 1.364 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1760522638 YAHBLQYUVZFHCU-HXUWFJFHSA-N 461.655 1.400 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1760529076 WJKUVHWBWHZFJZ-NLWGTHIKSA-N 496.678 1.607 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1760552783 APIYPAOFOGVYBY-JOCHJYFZSA-N 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CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2c(F)cc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@H](O)C1 2281826218 ZKEORIXDQHHOAF-JKSUJKDBSA-N 468.306 1.974 30 10 JDEE Cn1nc(C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2281967464 YAYZIDJDAAJOJW-PMACEKPBSA-N 452.364 1.445 30 10 JDEE Cc1c(C(=O)N=[S@@]2(=O)CC[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281981789 IZZOVOYPTJKWOQ-LHRCYKKBSA-N 482.412 1.933 30 10 JDEE Cc1c(C(=O)N(C)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281983086 RLSIHLGCYVXSKO-QLPKVWCKSA-N 460.384 1.965 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282034424 HYAWBZZNOOYHHD-QFIPXVFZSA-N 465.331 1.622 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2282176001 OVUJPHPJMCBKKF-RBSFLKMASA-N 461.372 1.632 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H]1CCO 2282187848 OEKPCGUERAYMDW-QGZVFWFLSA-N 461.368 1.825 30 10 JDEE CCCC[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282306891 UGBSPZSZGWYMEY-CQSZACIVSA-N 487.432 1.476 30 10 JDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282329362 LNHIZELMHIBUOD-GDBMZVCRSA-N 484.428 1.643 30 10 JDEE CN(Cc1ccccc1)[C@@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C1CC1 2282339313 UETQOYPVFZSFFR-IBGZPJMESA-N 474.436 1.908 30 10 JDEE Cc1sc(C(=O)NC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)c(C)c1B1OC(C)(C)C(C)(C)O1 2282654588 KSTTVNZXKKVXJT-UHFFFAOYSA-N 479.408 1.869 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](O)C[C@H]1CNC(=O)OC(C)(C)C 2282665452 ANMNTKZCUNHGFZ-DLBZAZTESA-N 463.384 1.907 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 2282696040 XJQUOOHTQDSOFW-CABCVRRESA-N 461.372 1.443 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC[C@@]1(C)CCN1C(=O)OC(C)(C)C 2282842043 RQSXYDDZQAXPIG-FQEVSTJZSA-N 485.416 1.182 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282860570 CNSUDLIENPLEFQ-ROUUACIJSA-N 482.408 1.946 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315693743 PBCQPTLCQFGQRM-GXTWGEPZSA-N 453.370 1.712 30 10 JDEE Cn1c(=O)c2c(nc(NN=Cc3cccc([N+](=O)[O-])c3)n2C[C@@H](O)COc2ccccc2)n(C)c1=O 2327751681 QFVYNIFKHROOAR-QGZVFWFLSA-N 493.480 1.228 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)[C@@H]2COC[C@H]21 2362450179 CRUDGWWUWOKAKL-SOUVJXGZSA-N 462.356 1.083 30 10 JDEE Cc1cc(CNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369681269 PZEMPEGPWUXQSL-QGZVFWFLSA-N 461.368 1.679 30 10 JDEE C=CCNC(=O)N1CCO[C@H](CN(CCN2CCOCC2)C(=O)c2ccc(OC)c(OC)c2)C1 34692275 ACYYRZHWAYBQSE-HXUWFJFHSA-N 476.574 1.075 30 10 JDEE O=C1C(=O)N(CCOCCO)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(/O)c1ccc([N+](=O)[O-])cc1 103118796 HMWMTMQNVUKVCG-VZCCSQPZSA-N 457.395 1.934 30 10 JDEE C=C(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1)C(=O)OC 1132197306 PWWKQWNQEJQYFJ-OAHLLOKOSA-N 456.517 1.481 30 10 JDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1157050878 CPEDEBWLDMCTDN-SPYBWZPUSA-N 450.561 1.987 30 10 JDEE Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1165558657 HXQYBQFZPXVVHN-UHFFFAOYSA-N 451.512 1.413 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COCC)C1 1286325612 ZTXRAVRRQSDHEQ-OALUTQOASA-N 453.609 1.667 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-n2cccn2)cc1 1286432122 XVLDUKAGDFYCTQ-QFIPXVFZSA-N 493.593 1.308 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccc(OC)cc2OC)CC1 1286472780 KUFBRTVJHQFJIU-RUZDIDTESA-N 469.586 1.945 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CC(=O)N(C)C)CC1 1286485250 YISZWEIPAYUQRY-UHFFFAOYSA-N 461.364 1.463 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1286768192 UMJNDYQSUAAEDQ-XMMPIXPASA-N 467.574 1.380 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1286782043 ISGSNBPWIPZRQP-UHFFFAOYSA-N 462.558 1.845 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1286789226 BCWUMUSBFPNAEP-UHFFFAOYSA-N 469.590 1.832 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)Cc2cccc(F)c2)C1 1286810189 OIOGBMZVXVTHHV-AZUAARDMSA-N 491.589 1.460 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC)[C@@H](C)C1 1286820400 KZLGPJFTTKVCPS-PXNSSMCTSA-N 461.588 1.922 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1286843806 HELJPBBRYZFTDP-XMMPIXPASA-N 467.574 1.242 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCCN(C(C)C)C1 1288158149 HBJUKIAHVZCVAR-VQTJNVASSA-N 494.648 1.913 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)CC1 1292890431 YSOGOIZWLKZVAE-UHFFFAOYSA-N 450.877 1.756 30 10 JDEE CN(C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1)C1CCCCC1 1297934418 CDQAJGSUIHVTQZ-UHFFFAOYSA-N 485.614 1.689 30 10 JDEE C#CC[C@@H]1CCCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1299853243 QTEQPDXBACCKSB-PBHICJAKSA-N 459.490 1.880 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1300332333 CBKRFMLDGMKDOK-BZZOAKBMSA-N 496.531 1.923 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccccc1OC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300479793 SCKOGLNWJWVXDX-MRXNPFEDSA-N 499.515 1.990 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1300606525 MZKBNRIKBMGTMY-KRWDZBQOSA-N 459.572 1.303 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1300650930 WRCWYXGPSIOGEO-LJQANCHMSA-N 490.568 1.680 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1300663723 HRVWPRYLICNSEQ-IRLDBZIGSA-N 465.602 1.526 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2nn(C)c(=O)cc2C1 1300874820 OBFOUKOXIYPWSJ-KKSFZXQISA-N 469.590 1.834 30 10 JDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnc2C)CC1 1300899451 HMVDHEVIHJYEPR-UHFFFAOYSA-N 478.557 1.619 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1301148798 SBUWSOCFYFQHFD-MOPGFXCFSA-N 457.623 1.964 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1301490888 HNVKKQMDAXKDRR-SFHVURJKSA-N 450.547 1.705 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)Nc2ccccc2)C1 1301558869 ZXDVTAHTDMFYMK-IEBWSBKVSA-N 459.572 1.990 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](C)(O)C(C)C)c1 1358901201 CLXQUACUHGUDAE-ZHRRBRCNSA-N 476.603 1.352 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(N(C)C)CCC2)c1 1358901646 RPZGUELJCVBRRZ-QGZVFWFLSA-N 487.630 1.429 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCNS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1358958530 QHCKAOZBOWVIST-KRWDZBQOSA-N 486.019 1.165 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1358965771 AYLLSWAKNWLOLT-SFTDATJTSA-N 487.674 1.887 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc([C@@H](C)O)cc1 1358994706 UVSHSDZMYGTADC-NQIIRXRSSA-N 471.583 1.176 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCCC[C@H]1C 1359240371 MOOFBFAEDRZPCY-RTBURBONSA-N 454.641 1.888 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1COCCO1 1359277673 SFJOWILRHCZSPW-PKOBYXMFSA-N 450.561 1.814 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(N(C)C(=O)OCC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359305851 OXHHLUSKTYYXSV-QHCPKHFHSA-N 478.594 1.678 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(C)=O)CC1 1359309424 REXRWXGRWSDBFA-KRWDZBQOSA-N 490.630 1.949 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359329734 SERBXYGPVBBUBD-RHSMWYFYSA-N 498.989 1.568 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1359330865 FRIVMJPBVDFXCW-QGZVFWFLSA-N 459.576 1.290 30 10 JDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN(CC[S@@](C)=O)CC1 1444481439 DTLKGQWEZBYFDY-HHHXNRCGSA-N 458.378 1.621 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1507635658 UMDKZCFWALWXDN-GOSISDBHSA-N 486.623 1.907 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC[C@@H]1OC 1507652511 GYUZZWWVEFMOCJ-UFYCRDLUSA-N 473.574 1.711 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1507721992 WKPAGOKPUWASDZ-LJQANCHMSA-N 452.559 1.204 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C(=O)NC)c2)CC1 1507738614 SMCJMYWNNUBFPD-UHFFFAOYSA-N 460.542 1.052 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)C(=O)C1 1507778765 GUJRHVYZOSXXHN-ZDUSSCGKSA-N 463.402 1.102 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCN(S(C)(=O)=O)CC2)cc1 1508101316 XJFGDKDXKXMQCQ-IBGZPJMESA-N 461.588 1.867 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO1 1508105896 UBLNSWJFHGTNLY-TZIWHRDSSA-N 491.614 1.839 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1508140771 QQFBEDQDMZZBIK-QGZVFWFLSA-N 459.576 1.079 30 10 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451.556 1.585 30 10 JDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)N1CCOCC1 1760226596 WELPQBFWORZKKT-KRWDZBQOSA-N 459.620 1.727 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1760227139 WBBYYAVOWNPAAX-VZCXRCSSSA-N 468.539 1.335 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)N(C)C 1760249165 IPPZKZAJAXCDLN-IAGOWNOFSA-N 451.618 1.631 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCc2ccncc2)CC1 1760255955 QUMWVSIBFLMQLX-UHFFFAOYSA-N 479.610 1.588 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCN(C)S(=O)(=O)CC)CC1 1760262521 OVHHDNVOXGZOMH-UHFFFAOYSA-N 462.595 1.435 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C)n(C)c2=O)CC1 1760270841 BZCSYYNPBLNEFE-UHFFFAOYSA-N 476.585 1.161 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2nnc(O)c3ccccc23)n1CCNS(=O)(=O)CC 1760293763 DLLCZTLHSMSEAL-OAQYLSRUSA-N 455.544 1.525 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1760450309 IJNLHNUZYYKPFL-HZPDHXFCSA-N 465.542 1.846 30 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C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1286456559 SHYHDUFKTPKYPF-GLEDVZQVSA-N 477.500 1.535 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1286488617 PDCPNDQUSSCQBZ-OTPAQWSUSA-N 473.618 1.957 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1286491293 MBPGVTACDRCUSX-OYRHEFFESA-N 479.629 1.729 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1286580894 CGTKELPMAXAYIW-DXIQSLLYSA-N 483.635 1.742 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1286600373 MASVLRAREQPZRG-LJQANCHMSA-N 496.678 1.956 30 10 JDEE C=C(Cl)Cn1c(N2CCC(CNS(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286634997 HFXYSMJKUZRPHU-IBGZPJMESA-N 462.016 1.837 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(=O)NCCC)CC1 1286790516 UACHHHWACIZUPR-UHFFFAOYSA-N 464.574 1.561 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(N(C)C(=O)OCC)CC2)nnc1[C@]1(OCC)CCOC1 1286793082 QUJWLNVUVVTYEW-QFIPXVFZSA-N 464.567 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C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1300889113 BGXYZMLUQCJSSA-SIKLNZKXSA-N 491.662 1.981 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1301148799 SBUWSOCFYFQHFD-OALUTQOASA-N 457.623 1.964 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCS(=O)(=O)C1 1301346598 GEJFORXNYWSDRB-WMZOPIPTSA-N 467.617 1.516 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1301585241 IZPKOZVGIMUSAG-JYJNAYRXSA-N 482.607 1.179 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nccs2)C1 1301594698 IMXFIWJUFGSWAA-ZIAGYGMSSA-N 458.635 1.842 30 10 JDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnc(C)s2)CC1 1315751952 DQPXXQHOAVIFEI-UHFFFAOYSA-N 452.544 1.756 30 10 JDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1358956746 KCJSNIRWRAOOQJ-MSOLQXFVSA-N 454.593 1.324 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1358958677 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VANBMMDLHGNJKF-ZDUSSCGKSA-N 498.403 1.642 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1359295956 SFVIOXYWAIYHRE-GOSISDBHSA-N 463.546 1.342 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1359332173 QRKFFTYQEKTKBJ-OALUTQOASA-N 467.636 1.762 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCOC(C)(C)[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1359335392 KMJOPSNQGALPLB-LAUBAEHRSA-N 456.609 1.923 30 10 JDEE CC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)CC1 1359364769 BYIPVYOYWVJGJJ-UHFFFAOYSA-N 465.558 1.370 30 10 JDEE Cc1cccc(O[C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)c1 1361109624 CFUYEYKKWTYYGJ-RLLQIKCJSA-N 490.586 1.116 30 10 JDEE CC(C)CC(=O)N1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 1473109681 GJKJEEJXMNGKEM-UHFFFAOYSA-N 454.531 1.645 30 10 JDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1501190440 BRFQZXQECPDJLN-UHFFFAOYSA-N 492.628 1.868 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCNS(=O)(=O)c1ccc(C)s1 1507535465 YRTXAORGIGNPIL-ZDUSSCGKSA-N 476.584 1.812 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CCCN1CCC[C@H]1C(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1507623665 VHQBWIQHZXWCBT-OALUTQOASA-N 478.663 1.145 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)c1ccccc1F 1507653670 PZBSJMGNGNCODG-NRFANRHFSA-N 488.589 1.349 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1507679849 RWHPPFVSZMWQPW-ICSRJNTNSA-N 460.604 1.249 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCN(C)Cc2ccc(F)cc2)CC1 1507737540 BGWPODXYWIYUFP-UHFFFAOYSA-N 478.576 1.916 30 10 JDEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(S(C)(=O)=O)CC1 1507844713 OBFNWHOFBFMCKX-UHFFFAOYSA-N 490.634 1.126 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1508071962 AGUFXQRANNCLHP-UHFFFAOYSA-N 481.944 1.964 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 1508090136 HQXROTHSNDTYMF-UXHICEINSA-N 473.599 1.668 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1508096424 GQNPUWKZZHKGOJ-UNMCSNQZSA-N 488.633 1.779 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(=O)(=O)CC 1508096968 DNYACFLFZOIUKE-INIZCTEOSA-N 484.623 1.523 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)Nc2c(C)cccc2C)C1 1508107878 CVHOXJTVDJBZMX-MSOLQXFVSA-N 476.603 1.925 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1Cl 1539016962 WIMJJXRAYNISHT-GUYCJALGSA-N 455.943 1.910 30 10 JDEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(=O)COC)CC1 1539050257 ZUSMWTLIEVJUQG-UHFFFAOYSA-N 487.630 1.645 30 10 JDEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1539068389 UOXHDZSUVRGOBR-UHFFFAOYSA-N 490.612 1.689 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(C)(F)F)cc1 1539179593 QNTPONXPVDLOTB-QGZVFWFLSA-N 453.515 1.840 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539206457 PJGYSNFRZBTRAE-IMFGXOCKSA-N 492.623 1.400 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1539207076 ZEUFJQXHTQWBGW-UGKGYDQZSA-N 476.603 1.221 30 10 JDEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1539216159 OEGAOUHOHYQKEE-SFHVURJKSA-N 498.609 1.728 30 10 JDEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539216528 UFSZUPNONHVYMQ-GOSISDBHSA-N 482.610 1.836 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539216835 XPIYEKVMOQPNNO-AZUAARDMSA-N 473.647 1.816 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1539223987 AYUKUTIEEFIYHO-CTNGQTDRSA-N 458.584 1.878 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)NC(C)C)cc1 1539239406 LHOPDBJDUUREEW-QGZVFWFLSA-N 471.587 1.539 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCCC1=O 1539343098 DQCBWCRZWQBWNT-KRWDZBQOSA-N 458.588 1.519 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1539368748 BLEAKJLEPVYNPO-HZPDHXFCSA-N 463.526 1.293 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)N(C)CC 1539384911 QOMRFUYDFQKJTR-OAHLLOKOSA-N 450.540 1.146 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1539460166 YZHFBBZDNRPGOG-UHFFFAOYSA-N 464.618 1.876 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCC2(COC)CCC2)CC1 1539467113 NDEDRMDSLIRBAD-UHFFFAOYSA-N 456.591 1.687 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCNS(C)(=O)=O 1539622210 FCCZZNYGXSCHBQ-APWZRJJASA-N 463.560 1.640 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCN(C(C)C)CC1 1539670038 WMHDBUGEKKMDRN-LJQANCHMSA-N 484.667 1.249 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccnn2C)CC1 1539731075 XEYLKIOIMCTDEA-INIZCTEOSA-N 451.597 1.599 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)(C)C)CC1 1539967771 ULJBUWUAONZUAC-GOSISDBHSA-N 454.641 1.888 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1540854870 JVWDDHAUITUOBJ-SJLPKXTDSA-N 461.588 1.902 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1540873778 JOZJJHWJSVPPIM-UHFFFAOYSA-N 485.976 1.205 30 10 JDEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)N1CCOCC1 1541303219 CLDIEMKNCCXDCV-HXUWFJFHSA-N 458.588 1.408 30 10 JDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1546587076 CULDPPCJOTUIHK-KRWDZBQOSA-N 458.544 1.021 30 10 JDEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1)S(C)(=O)=O 1547573107 FGFQDWZMQWZDCJ-HXUWFJFHSA-N 473.603 1.593 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1587823141 KQISZZLOLCOZSA-IBGZPJMESA-N 454.556 1.864 30 10 JDEE C#CCCCn1c(N2CCC(N(CC)S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1587893959 KVXQGEVFPAPDGD-OAQYLSRUSA-N 453.609 1.594 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1588024457 DGDBPGLPXPYPRK-VXKWHMMOSA-N 498.653 1.708 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588074547 OKFYAMBIGDKNFI-KGWSWXIGSA-N 493.674 1.749 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588075068 WRYJXQBNVCQCCV-UXHICEINSA-N 463.579 1.883 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCCS1(=O)=O 1588213916 ATGRGKPVKCYEGI-SFHVURJKSA-N 488.639 1.668 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1ccnc(C(C)(C)C)n1 1588646054 GOUDLTYHBXZBQA-SFHVURJKSA-N 474.631 1.987 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN2Cc2ccccc2)CC1 1588741899 KFDKGORZLGGCMX-IFMALSPDSA-N 485.658 1.308 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC1 1588806641 XWGOYNOPZUVVGY-HXUWFJFHSA-N 464.574 1.563 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1588813608 ZIFSTEZHRSQERU-MSOLQXFVSA-N 461.563 1.542 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)c2c(C)noc2C)CC1 1588877038 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C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOC)[C@H](CCC)C1 1690288047 FPCSWKLDMVMREF-MOPGFXCFSA-N 470.640 1.124 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1690622721 WHIJMPFWPXYDPP-IPMKNSEASA-N 453.609 1.625 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1690672857 GBDWCMZTMGFTMS-UHFFFAOYSA-N 477.548 1.550 30 10 JDEE Cc1cc(C)n(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCC(=O)NC(C)C)n1 1693429130 ALDBCXQFCJMXHO-UHFFFAOYSA-N 476.589 1.648 30 10 JDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1697074486 BCNVJMIEOMDDOO-LJQANCHMSA-N 451.531 1.964 30 10 JDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1705538080 CJBNTAYDYHIUEC-UHFFFAOYSA-N 470.599 1.633 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705560981 MKUOAQOUFLRRDG-HMFYCAOWSA-N 468.620 1.618 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1705568907 XHVFOAFOQLHTET-UTKZUKDTSA-N 450.536 1.784 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1705570303 OGPKHUYIEOMQRP-RBUKOAKNSA-N 496.559 1.775 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1705570680 SLAVYYCBMDGIKD-SFHVURJKSA-N 456.597 1.958 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)c1 1705588271 BBQIXOOFZRNTFP-LJQANCHMSA-N 470.599 1.236 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCc2ccccc21 1705598676 OQWFSAVCVGHIPA-NFBKMPQASA-N 496.637 1.525 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCS(=O)(=O)CC)CC1 1705636574 POQJNQAJGODULJ-UHFFFAOYSA-N 475.615 1.931 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2oc(CC)nc2C)CC1 1705643728 QJZUHDDZOUCNHM-UHFFFAOYSA-N 453.547 1.387 30 10 JDEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1705658279 KRWRKRSMHLNNBD-IBGZPJMESA-N 451.556 1.448 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@H](S(=O)(=O)NCC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705708010 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C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722357821 APRFFRARHPXBMB-MSOLQXFVSA-N 465.620 1.638 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1722358415 HKFIPCPSCMRCJJ-WOJBJXKFSA-N 476.647 1.405 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(C(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1722361404 MROPGKLNKYJJDD-SFHVURJKSA-N 452.540 1.058 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(Cl)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722367974 NWCKPTLYPJIDSF-SJLPKXTDSA-N 492.001 1.761 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)cc2C)CC1 1722430803 AREMQFAVMVKMDH-GOSISDBHSA-N 459.620 1.066 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722519574 LYZUICRKCCWYHK-KRWDZBQOSA-N 459.576 1.328 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCN2CCC)CC1 1722580283 CKYATAQSTQJNMX-PMACEKPBSA-N 466.652 1.888 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)C2CC2)CC1 1722587919 FETHPDGCXQMOAF-LJQANCHMSA-N 494.662 1.708 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1722730662 ZBEQZUWTLYISPN-GOSISDBHSA-N 459.572 1.311 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COc2ccccc21 1722867296 FZKIXSNREXGDSH-MDZRGWNJSA-N 460.560 1.383 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCn1cncn1 1723603277 HBTCZUZMAYIRSQ-UHFFFAOYSA-N 462.562 1.292 30 10 JDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1730629929 HKBDISORWJJXQG-RUZDIDTESA-N 475.553 1.962 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1740562421 LIFCNKRVNCWCJH-GXYOHSSGSA-N 467.592 1.056 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 1740623223 QBCCPDVDQFMUHQ-RDJZCZTQSA-N 492.399 1.667 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740623715 ZOGMZEUOKWBMOW-GOSISDBHSA-N 459.572 1.207 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCOC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1740628696 ZOYVDIQXTUJQKN-UFYCRDLUSA-N 466.604 1.732 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc(-c2cccs2)n1 1740639757 FPCLOXIJBPBQKA-KRWDZBQOSA-N 486.579 1.449 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCC(=O)NC(C)(C)C)CC1 1740695552 WKHDWZZJFSKEEZ-UHFFFAOYSA-N 476.585 1.252 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCN2CCOCC2(C)C)CC1 1740700646 YEULPGYVTLEHJS-UHFFFAOYSA-N 468.602 1.732 30 10 JDEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1740742020 ZQMABSVPVZWXPG-QGZVFWFLSA-N 492.422 1.912 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC(=O)N(C)C[C@H]1C 1740956132 HPGNAHRBTBJHPL-GFCCVEGCSA-N 465.327 1.816 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)C2CCCCC2)C1 1740980496 KULCYWUTDPPNNN-ZRCGQRJVSA-N 497.662 1.724 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC2CCOCC2)C1 1740982958 YWCYTFUXOWXEMG-MJGOQNOKSA-N 454.593 1.547 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](CN2CCCCC2)C1 1740985592 JJVXFXBTADENLX-GOSISDBHSA-N 452.625 1.329 30 10 JDEE C#CCCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1748699771 RZFQNICJMXQKOD-LJQANCHMSA-N 460.579 1.077 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCOc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1748802420 PROCKEFPEBSPFT-KRWDZBQOSA-N 479.990 1.775 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748815986 VEYUNZRNFLICOP-WOJBJXKFSA-N 455.584 1.879 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](C)N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1748817044 CRVZRNMOUIDIPP-VQTJNVASSA-N 464.680 1.519 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)COc1ccccc1OC 1748846443 GUWIOGUEXZIVHB-OALUTQOASA-N 456.568 1.977 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCSCC(C)C)CC1 1748989629 OAVGUMZADOIQCD-IBGZPJMESA-N 484.692 1.146 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(I)cc2)CC1 1748989873 DCQOOKDQVFQOET-QGZVFWFLSA-N 490.349 1.637 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(OC)c(F)c2)CC1 1749001250 NYLGSMUGOMDMAB-UHFFFAOYSA-N 470.549 1.773 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2cccc(C)c2)CC1 1749004340 GMQNVGXQEGTBQL-RTBURBONSA-N 486.642 1.966 30 10 JDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1749406208 DQBSTDACGKFCMR-UHFFFAOYSA-N 490.634 1.310 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1749530313 YMFUAJONFPRSPP-IBGZPJMESA-N 456.572 1.915 30 10 JDEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1749561079 DYYFWNAETMPZSP-SFHVURJKSA-N 470.393 1.774 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)O 1749590551 ADAGOAVUCMAOLI-KRWDZBQOSA-N 453.565 1.210 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749652657 QPKWDCCLZGVIFI-BEFAXECRSA-N 476.965 1.715 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1749740787 YXTUHAFAOYWXBF-IBGZPJMESA-N 488.614 1.631 30 10 JDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1750523731 ADFJJPOAUFHHHF-BRWVUGGUSA-N 451.593 1.750 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCNC(=O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1760184986 NHZNACBXHIHLFF-GOSISDBHSA-N 483.550 1.603 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CN(C)CC)c1 1760232535 AKKDXAIBVHXBLA-OAQYLSRUSA-N 474.631 1.571 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccccc1Cl 1760232935 GHNDLATTYNBTCC-NQIIRXRSSA-N 482.006 1.632 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2OC(F)F)CC1 1760268205 FYPQFQRDPWRQLN-QGZVFWFLSA-N 472.496 1.845 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCSCCCO)CC1 1760268980 UHEDOEPFEAJTHH-UHFFFAOYSA-N 474.587 1.087 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2nnc(CC)s2)CC1 1760271780 LSOPYWVMZNAVJT-UHFFFAOYSA-N 450.572 1.692 30 10 JDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)COC)CC1 1760300513 GRXQEONMWLCDRH-UHFFFAOYSA-N 464.324 1.129 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCC(=O)NC 1760319797 UQQHAFUBCUFHCX-FXAWDEMLSA-N 461.588 1.902 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1760412313 JRAMDHHCDGQTOB-UXHICEINSA-N 464.680 1.999 30 10 JDEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1 1760451776 SMDLBNQSOWHIDA-QGZVFWFLSA-N 464.567 1.506 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1760555632 JLCSONFXNGJUPU-GOSISDBHSA-N 471.587 1.990 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCO[C@H]1C 1771100062 FQIVIVUDLLWDGP-SBUREZEXSA-N 451.531 1.743 30 10 JDEE COc1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3-c3ccc4c(c3)C(=O)N(C)C4=O)CC2=O)cc1 1870159073 DBTZCXPMYBGKCL-CYBMUJFWSA-N 485.460 1.365 30 10 JDEE Cc1nc(SCc2cc(=O)c(OCC(=O)N3CCOCC3)cn2CCO)c(C#N)c(C)c1C 1870309794 GFSKYEKHWFCCHW-UHFFFAOYSA-N 472.567 1.562 30 10 JDEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3/N=C/c3ccccc3O)CC2=O)cc1 1874199395 MONGZTCKEWDQNN-OWLNGIFZSA-N 466.523 1.972 30 10 JDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCS(=O)(=O)C1 2060784492 VBDHELQULLLVFV-GCJKJVERSA-N 462.572 1.305 30 10 JDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)OC1(C)C 2255750336 IHMBRKFVMHAZCP-MNOVXSKESA-N 466.312 1.583 30 10 JDEE C[C@@H](O)CN(CCNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255806828 KSJLLHOWCJLYQR-CYBMUJFWSA-N 455.386 1.790 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@H]21 2258487733 RUPXJABSOPBBBK-JHJVBQTASA-N 450.370 1.843 30 10 JDEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2267155245 QYWSUPITIOWMHT-AWEZNQCLSA-N 466.413 1.723 30 10 JDEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267170496 WKKLTNXMTNCWDY-GJZGRUSLSA-N 464.397 1.857 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1COCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267375700 KUAXYYRCIOHDEL-HNNXBMFYSA-N 488.437 1.962 30 10 JDEE CCn1cc(C(=O)N[C@H]2COC[C@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282064444 ZYNRAMNOQUOWFS-ZBFHGGJFSA-N 464.372 1.472 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@@H](F)CN(C(=O)OC(C)(C)C)C1 2282338815 ULVJFLPXIQMMOF-ZIAGYGMSSA-N 488.391 1.345 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NS(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282501017 RCICFNZYEMVUBO-MSOLQXFVSA-N 482.408 1.385 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=[S@]2(=O)CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 2282611413 KVCHFFMDAIIQMK-KMWOBCOYSA-N 483.400 1.267 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)n1 2282619209 QTQBFICYFMNENT-CABCVRRESA-N 461.372 1.586 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1 2282830404 TZBMTRLMWHNXON-OAHLLOKOSA-N 484.428 1.645 30 10 JDEE C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282868445 NIBCJUZSDZKEOQ-CYBMUJFWSA-N 485.416 1.038 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@H]1CNC(=O)CN1C(=O)OC(C)(C)C 2283956628 LDMOFJMQWNZJLY-CQSZACIVSA-N 479.408 1.707 30 10 JDEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2343636194 PSRSUOBXVOUBGY-UKRRQHHQSA-N 452.336 1.749 30 10 JDEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2343639083 NMENPZQCIYHWPD-OLZOCXBDSA-N 453.324 1.144 30 10 JDEE Cn1nc(C(=O)NCCOC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2362202685 QPRFAMZRBNBUPA-UHFFFAOYSA-N 484.790 1.738 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CO)C1 2362335782 AWQJSDYGBDIQMM-CABCVRRESA-N 464.372 1.067 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 47157264 XUILEYVEPFWLAU-UHFFFAOYSA-N 473.536 1.994 30 10 JDEE C#CCOCC1CCN(C(=O)c2ccc(S(=O)(=O)N3CCN(C(=O)OCC)CC3)cc2)CC1 49447285 HBUMWQOBSYPMBB-UHFFFAOYSA-N 477.583 1.651 30 10 JDEE N#C[C@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@@H]1c1cc([N+](=O)[O-])ccc1Cl 72444289 DKUFGJPFDNVXFV-UKRRQHHQSA-N 486.872 1.899 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)Cc2c(C)nn(-c3ccc(C(F)(F)F)cn3)c2C)CC1 512705630 NFZPEQQXJXNOLJ-UHFFFAOYSA-N 464.492 1.892 30 10 JDEE N#Cc1cccc(C(=O)OCCN2CCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)c1 586393493 FUQQJNQMFWODSU-UHFFFAOYSA-N 474.517 1.936 30 10 JDEE NS(=O)(=O)c1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3ccccc3O)n2)cc1 1083939985 PFPQENVCKXEJEH-UHFFFAOYSA-N 461.529 1.725 30 10 JDEE C#CCN(C(=O)C1CCN(S(N)(=O)=O)CC1)[C@H]1CCOc2ccc(Br)cc21 1136805150 VCQGFFRENPSMBL-INIZCTEOSA-N 456.362 1.650 30 10 JDEE COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1187789763 ATSZFHVOWRWBSJ-CYBMUJFWSA-N 459.546 1.232 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1286392362 BMNZKGCZBAIUHB-AEFFLSMTSA-N 491.639 1.711 30 10 JDEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C(=O)NC 1286503965 HEZZYFQMUSWNRW-INIZCTEOSA-N 467.599 1.860 30 10 JDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286507454 INYJTCHYZXATGA-IBGZPJMESA-N 460.629 1.635 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1286599768 CRMIFQBGSFAAGA-INIZCTEOSA-N 484.026 1.856 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1286779649 KZAVDVJXTWDQOG-HNNXBMFYSA-N 460.336 1.224 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H]2OCO[C@@H]2C1 1286780167 QLWGMVCUGJJARJ-GASCZTMLSA-N 452.284 1.710 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2nccnc2C)CC1 1286790371 DMMYOWZERFAOJD-UHFFFAOYSA-N 468.512 1.874 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)[C@@H](C)C1 1286815444 VHPQIEPCCSPOAE-IRXDYDNUSA-N 481.644 1.888 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1286819919 ZLHQFQMKZLDIDV-SFHVURJKSA-N 488.618 1.070 30 10 JDEE CC(C)C[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1)N(C)C 1287321265 DGZPFLWRVAJARL-WOJBJXKFSA-N 489.646 1.900 30 10 JDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1298132397 BGEXOJHAIPIUIB-ROUUACIJSA-N 463.585 1.407 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1300496956 WSVHLYOPOZVKTK-ZWKOTPCHSA-N 463.604 1.057 30 10 JDEE C#CCN(c1nnc(CC)n1Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCS(=O)(=O)C1 1300499853 YJMQDFWOZLSMOK-SFHVURJKSA-N 461.563 1.491 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](OC)c2ccc(F)cc2)CC1 1300684021 WEFWVZMQISSDRK-LPHOPBHVSA-N 464.567 1.170 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1300990277 IXVSLMSOQLOSLV-QZTJIDSGSA-N 499.634 1.503 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1301017976 QWOKEEOVZVTNDY-HFTRVMKXSA-N 488.058 1.020 30 10 JDEE C=C(Cl)Cn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301061913 YWRRUDLAKJBWCO-RTWAWAEBSA-N 466.970 1.886 30 10 JDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1301252798 QKWZKLXPMYOZIX-SFHVURJKSA-N 454.531 1.490 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1301491327 PPYONMITEJHESG-OAHLLOKOSA-N 457.560 1.431 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1301492902 REUWJYHLRKESHI-UHFFFAOYSA-N 479.541 1.311 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCNS(C)(=O)=O)C1 1301553268 IRFKVXGXPJRBAS-LJQANCHMSA-N 457.560 1.461 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)s1 1302637036 DHANLVHEBYPPLE-CZIWCDLHSA-N 454.595 1.876 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccoc2)c1 1358902235 HZAKADLDIPJVFC-HXUWFJFHSA-N 498.565 1.309 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1358967277 HGSBGNZKOBQFRI-RTBURBONSA-N 490.582 1.298 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358967362 JAISCVDMPFWHDI-WJFTUGDTSA-N 451.637 1.774 30 10 JDEE C#CCN(c1nnc(COCC)n1CC(F)(F)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358967781 RYHJGBLJDILJIW-HNNXBMFYSA-N 491.561 1.601 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1358968078 YUNPLEAUYJOHAB-FQEVSTJZSA-N 483.598 1.554 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccc(C)cc1 1358994831 XJMLHMRJXMPEMS-RBBKRZOGSA-N 485.610 1.850 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCN1CCOC[C@@H]1C 1359017856 ULZBTSBHVJYXRQ-IBGZPJMESA-N 454.550 1.900 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1359021260 IRLMDMAQSGIEJH-QGZVFWFLSA-N 489.506 1.891 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(C)OCCc3sccc32)CC1 1359029091 OKJJGDFQJOZQRM-KKSFZXQISA-N 478.644 1.193 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)Oc2ccccc2OC)CC1 1359029471 YTNUSMCNRUXLAI-ROUUACIJSA-N 476.603 1.120 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(O)c2)CC1 1359049813 WQTYUEYBFHZOCT-MRXNPFEDSA-N 464.617 1.287 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cnn(C)c2)C1 1359076820 NAXSWICULZWTFY-STQMWFEESA-N 458.386 1.524 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H](C2CCC2)C1 1359133637 WOYJDAWFSUYUGP-WOJBJXKFSA-N 483.635 1.457 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@](C)=O)CC1 1359263980 RAJHXOYGHGAIHH-MYGHRHJXSA-N 499.684 1.776 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359292135 IQZFXUZITBAEKI-GJZGRUSLSA-N 451.524 1.483 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1csc(C)n1 1359301074 RCDIZDRYTBMVIY-IAGOWNOFSA-N 495.631 1.020 30 10 JDEE CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1469154983 CELLCUQNIPARGT-AAZYKMFZSA-N 452.602 1.654 30 10 JDEE C#C[C@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 1469384343 RQMPLJGMFLTCHJ-NRFANRHFSA-N 457.527 1.930 30 10 JDEE CCC(O)(CC)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1497412371 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C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1539038858 VKLKAAYKTDEPJX-QFIPXVFZSA-N 459.572 1.181 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1539200795 OMYJAFPNMNNTHI-INIZCTEOSA-N 493.536 1.498 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCOCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539230974 NEVDVACRMAILRF-WOJBJXKFSA-N 466.604 1.590 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC2CC2)nc1 1539325384 HYQWTJOXIYRVCU-NRFANRHFSA-N 498.609 1.306 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCS(=O)(=O)C2)n1 1539424205 NZBVUDSYYDYSDF-RTBURBONSA-N 476.603 1.090 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nncn2CC)CC1 1539470451 QFEHZFYCLUAITH-UHFFFAOYSA-N 463.502 1.479 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)CN2CCOCC2)CC1 1539484102 CFAKXQZUNFXBKN-LJQANCHMSA-N 470.643 1.865 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCOc2ccccc2)CC1 1539488607 MRGBUVVGXQWFPL-UHFFFAOYSA-N 464.570 1.835 30 10 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1.117 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(NC(=O)COC)CC1 1540866267 IKPFMLZDERSJPG-UHFFFAOYSA-N 464.929 1.771 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)[C@H]1C 1540870806 XMCWFWFCJZHQJF-IAGOWNOFSA-N 475.594 1.362 30 10 JDEE C=CCOc1ccc(Cn2c(N3CCN(C(=O)C(=O)N4CCOCC4)CC3)nnc2C(C)(C)C)cc1 1540878966 NUKJXOCXRGHNQX-UHFFFAOYSA-N 496.612 1.696 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](N3CCCC3=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1540908549 IXJVORBFZKHCQR-GCJKJVERSA-N 481.619 1.121 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1587567981 LVIRGXJMSWPITP-NVXWUHKLSA-N 493.659 1.286 30 10 JDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(C)(=O)=O 1587861628 OTZKYBJUPHLPPC-MRXNPFEDSA-N 455.581 1.481 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1588028860 AECBPEXWQDVFNC-QGZVFWFLSA-N 494.581 1.061 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1588035269 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C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1595537558 SKKDWNUNEOMUJU-LJQANCHMSA-N 467.574 1.171 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H](OC)C(F)(F)F)C1 1595730746 YILKBRCERZCTMR-OAGGEKHMSA-N 497.540 1.360 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1595788981 MHNHCUASRUSBMX-HXUWFJFHSA-N 484.582 1.749 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1595798191 NHBSMFRRRBRTIV-CABCVRRESA-N 451.515 1.456 30 10 JDEE CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)ccc1OC 1623120055 HNCMTMUMAKQMAU-QGZVFWFLSA-N 456.503 1.753 30 10 JDEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1 1633844684 BIJDNXZQGOTQEX-OAHLLOKOSA-N 453.524 1.548 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 1667321641 CFIXUQGSLPBUCW-LNMJFAINSA-N 458.540 1.422 30 10 JDEE C=CCC1(O)CCN(C(=O)NCCc2ccc(OCCN3CCN(C(C)=O)CC3)cc2)CC1 1678453473 NQGHVQJNEBMMTI-UHFFFAOYSA-N 458.603 1.885 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(COC)cc1)[C@H]1CCS(=O)(=O)C1 1689978207 OWSFNRFNVPRCDF-FQEVSTJZSA-N 494.577 1.747 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1689982677 RXWZZNOSHHGQSB-FQEVSTJZSA-N 470.624 1.492 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CC(=O)N(CCOC)C1 1690017671 JEDHPAIJLCOGNA-FQEVSTJZSA-N 498.628 1.960 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)N1CCCC1 1690019925 UYRNNYYAKQOGDM-XZOQPEGZSA-N 496.637 1.521 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1690043970 UXSASGURDSEMGO-FYYLOGMGSA-N 459.598 1.903 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCCN2CCCC2)CC1 1690135372 VAWQOYXCCSCTCO-UHFFFAOYSA-N 469.634 1.746 30 10 JDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1690227542 BKMVPWKTOHXLJI-CQSZACIVSA-N 477.367 1.571 30 10 JDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690627739 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C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1722365808 FMSIROFJJCSQSA-QZTJIDSGSA-N 498.609 1.727 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1722696496 AHQKBXCZHNXMPV-INIZCTEOSA-N 478.557 1.205 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](COC)C2)cc1 1722705259 WGNIAFZXTXOKKR-CTNGQTDRSA-N 491.614 1.697 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722724077 MKVOVCICKBGNTH-HSZRJFAPSA-N 483.598 1.898 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2Cc2cnnn2C)c1 1740564409 MFOOCBNPBMEUFP-UHFFFAOYSA-N 461.555 1.867 30 10 JDEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1740619488 PFAMGJOYEUQOKD-INIZCTEOSA-N 480.388 1.470 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1cc(C(F)(F)F)ccn1)[C@@H]1CCS(=O)(=O)C1 1740620000 BJAWUERFNXIXOW-GOSISDBHSA-N 493.515 1.962 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccn2)CC1 1740843600 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C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCCn2cc(CO)nn2)CC1 1749016361 BVQHIHAXCGVZEQ-UHFFFAOYSA-N 476.585 1.317 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(O)CCS(=O)(=O)CC1 1749574756 DSAIOUMKIHISJE-IBGZPJMESA-N 460.556 1.909 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1749670713 VSQQSGFXBPUKKX-IEBWSBKVSA-N 481.619 1.037 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@H](C)C1 1749670859 WTSPJIPMLNGTTH-CVEARBPZSA-N 466.608 1.830 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1749724802 NDYAZEHCWJTSPT-UHFFFAOYSA-N 483.598 1.755 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC(F)(F)F)CC1 1749744684 ODMAVNHCYOUWCR-AWEZNQCLSA-N 470.587 1.882 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1760110651 GARXPQRTIRBFAV-JKSUJKDBSA-N 454.556 1.617 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)c1 1760126285 SZOFLHFNCVLPNJ-OAQYLSRUSA-N 451.575 1.585 30 10 JDEE 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C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCN(C)CCOC)CC1 1286479979 QXDNKVUPWKRRRZ-UHFFFAOYSA-N 464.574 1.317 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCC(=O)NCc2ccccc2)CC1 1286490259 OWNRRCINDFJQPT-UHFFFAOYSA-N 473.581 1.956 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCSC)CC1 1286490308 KDGLFHJFBLNTJK-UHFFFAOYSA-N 489.671 1.957 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCSC1 1286552661 ACJIEYPSZHBPSI-TVFCKZIOSA-N 471.649 1.534 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CC)C1 1286557634 WVJYMODUFQMLCL-XSYGEPLQSA-N 465.620 1.656 30 10 JDEE C=CCn1c(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)nnc1[C@]1(OCC)CCOC1 1286778193 UILQAGDFGNGJQV-RXVVDRJESA-N 453.609 1.947 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1286816803 NDSIOFRGRMMEBE-MRXNPFEDSA-N 477.543 1.204 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C2CCOCC2)CC1 1286823679 XPYYGEMPVMXHSE-UHFFFAOYSA-N 460.604 1.166 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCOC1 1286831566 IJTSIFSBTFEPDG-SJORKVTESA-N 459.638 1.393 30 10 JDEE CCCN1CC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)C1 1294655245 AKRDDHCHWPGIOA-CNNODRBYSA-N 479.651 1.473 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC2(CS(C)(=O)=O)CC2)c1 1300332422 FSIGQYXERBHQRF-UHFFFAOYSA-N 479.566 1.616 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1300479803 SHCVYGWADUOMCM-FQEVSTJZSA-N 498.609 1.300 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1300488994 YLVVSDMQBWYTNJ-MOPGFXCFSA-N 456.572 1.225 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1300500868 FOICKAOQGUBADQ-UXHICEINSA-N 455.584 1.359 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300501640 MNBUODAAHBDSDQ-MJGOQNOKSA-N 463.629 1.278 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cnn(C)c1C 1300512479 KBFVJFQUUMIELG-UHFFFAOYSA-N 450.572 1.710 30 10 JDEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1300598031 ZDJXLAZYOJMEFR-UHFFFAOYSA-N 459.572 1.546 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1300973250 WTOFLPVEXLVJJJ-UHFFFAOYSA-N 477.591 1.378 30 10 JDEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1301445839 OAJXGRUPCXPXJA-UHFFFAOYSA-N 470.574 1.519 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCC[C@H](SC)C1 1301492856 PJZDVFQHKNRNBZ-SFHVURJKSA-N 453.576 1.945 30 10 JDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1)N(C)C 1303735949 FUSKNIKMJAZQGS-RTBURBONSA-N 480.617 1.468 30 10 JDEE Cc1cc(C)n(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)n1 1304772914 ABUAAUNEWIKDKA-UHFFFAOYSA-N 498.613 1.714 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1313987990 FLNJZDWBPFHVJM-UHFFFAOYSA-N 492.628 1.723 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)NCCC)c1 1358889789 GTKPBNCVDGXRJO-YLJYHZDGSA-N 488.614 1.257 30 10 JDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1358912023 IAAVQIMHRGPFQI-LJQANCHMSA-N 475.619 1.528 30 10 JDEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1358916601 QUPADMZKJXRZLP-UHFFFAOYSA-N 484.576 1.781 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(F)cc1C)[C@@H]1CCS(=O)(=O)C1 1358961488 ABYBHQPVQOXOAT-MOPGFXCFSA-N 459.547 1.546 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1358965064 NEPCJLLUTDBBST-RTWAWAEBSA-N 456.616 1.623 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CCOCCS(C)(=O)=O 1358973677 AOJUWOICPJCTOW-UHFFFAOYSA-N 483.363 1.981 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCc1cnc2c(Cl)cnn2c1 1358984191 LVCYEJONXDCUKK-UHFFFAOYSA-N 450.934 1.916 30 10 JDEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(=O)NC(C)C 1359079348 HAHNPZDACCVWNM-UHFFFAOYSA-N 460.340 1.790 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(F)(F)F)C1 1359091365 MOOKBMBBHNIUIK-KBXIAJHMSA-N 467.514 1.637 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1c(C)nn(C)c1C 1359091898 UKDHKLPAYUCAMN-IEZWGBDMSA-N 465.624 1.856 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Nc2ccn(C)n2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1359105813 URGNEFVFZNYZCW-INMHGKMJSA-N 451.553 1.069 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(CC)C(=O)C1 1359189440 LBHYZPGMUMXHRO-QGZVFWFLSA-N 468.624 1.272 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccs2)C1 1359322138 QGJIJMXTZOTLKH-DOTOQJQBSA-N 453.590 1.502 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359329310 FHXWDWNBQWOPLK-INIZCTEOSA-N 475.571 1.374 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](C(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1359335423 LEYGNVATLSVWJJ-WMLDXEAASA-N 468.498 1.299 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1507623036 OGCPPDXJXFXDSW-KZNAEPCWSA-N 472.571 1.103 30 10 JDEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1507625134 GWPMPXINLHJCQT-INIZCTEOSA-N 465.373 1.859 30 10 JDEE C#CCN(c1nnc(C)n1Cc1ccc(C(=O)N2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 1507627376 SOWCDXJVHSKJFN-NRFANRHFSA-N 455.584 1.888 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@H](C)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507639205 WLLKVBBOTNOMSV-IAGOWNOFSA-N 469.608 1.602 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@@H]1C 1507652057 DGIBACZGBSMGMV-IEGUWTFLSA-N 459.547 1.199 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C)ccc1OC 1507654147 WOKJYTUXQZKPBF-NRFANRHFSA-N 471.583 1.244 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(OCC2CC2)c1 1507689314 JQSJRNSLNXUYLZ-LJQANCHMSA-N 474.587 1.303 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Br)cs1 1507690400 SMZPBMAJGUXGIC-HNNXBMFYSA-N 488.433 1.943 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1507718825 SXCADZKXVJGCDK-DVECYGJZSA-N 486.642 1.502 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCS2)CC1 1507735622 CUCBBDXQVZCFSF-NVXWUHKLSA-N 468.649 1.140 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1507753716 QNXNEMNXDYPHFM-KRWDZBQOSA-N 451.622 1.024 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1507772186 IHYIJARHHICQOK-YCRNBWNJSA-N 476.647 1.115 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1507844716 OBMRMMBGBSXTBT-IRXDYDNUSA-N 451.593 1.268 30 10 JDEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1507896213 IAYUSZHYDZWVQK-RTWAWAEBSA-N 454.593 1.271 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507935673 TVLXAPHXXMDGAR-MRXNPFEDSA-N 459.638 1.397 30 10 JDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1507936758 KBVQBVIKUZKQHB-UHFFFAOYSA-N 499.601 1.444 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1507967966 PHUXHPBQYNQXJB-SFHVURJKSA-N 468.624 1.357 30 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474.543 1.495 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1539126115 SHKALZSFCYXFTH-INIZCTEOSA-N 459.532 1.223 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCN1CCCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1539220264 HSHLVBUAXKEPPZ-VQTJNVASSA-N 477.631 1.592 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCSC1 1539415190 AJCYJLTYFADTNZ-QFIPXVFZSA-N 457.604 1.406 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCS2)CC1 1539482587 VFXNSVHENPTGAE-QZTJIDSGSA-N 465.645 1.432 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1 1539632805 ULDYAXFOQWJIIQ-OTWHNJEPSA-N 465.576 1.822 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539638417 ZDNIZGKCOHFGNB-HFSMHLIXSA-N 460.604 1.715 30 10 JDEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539731074 XEXFAKWYZOZFAC-WOJBJXKFSA-N 482.585 1.775 30 10 JDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1539974290 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1612156203 ALEBBOOLCSCEQE-KBXCAEBGSA-N 454.553 1.572 30 10 JDEE C=CCN(C(=O)c1nc(S(N)(=O)=O)c2ccccn12)[C@H](Cc1ccccc1)C(=O)OCC 1616306396 ZJOUZTDMEZQIDA-GOSISDBHSA-N 456.524 1.784 30 10 JDEE C=CCn1c(S)nc2cc(C(=O)Nc3ccc4c(c3)S(=O)(=O)CC(=O)N4)ccc2c1=O 1644058396 XZTUFUGGHRRBLF-UHFFFAOYSA-N 456.505 1.849 30 10 JDEE C#CCN(C(=O)NCc1ccn(-c2ccc(Br)cc2)n1)[C@H]1CCS(=O)(=O)C1 1684092725 JIQLBQGHJBHOMQ-KRWDZBQOSA-N 451.346 1.967 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCOC[C@H]1OC 1689836144 ZBFCBXGZYGRRFS-ILZDJORESA-N 461.588 1.705 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1nc(C(C)(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1689988409 OHDNNYIRISQEGZ-HUUCEWRRSA-N 476.628 1.658 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1689996787 OGIMFEUSCCTDJV-MSOLQXFVSA-N 491.639 1.856 30 10 JDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCO[C@H]1C 1690082959 VGOAVPRFMROTOK-OFVILXPXSA-N 452.603 1.642 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@]2(O)CCO[C@@H]2C)CC1 1690152802 YCEUXLVMPTUVOA-IQGLISFBSA-N 483.569 1.371 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690183335 UOJSOZWNKRHVBA-OAHLLOKOSA-N 487.611 1.109 30 10 JDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1690219413 DFAFUKBBYCDPSP-RHSMWYFYSA-N 477.429 1.098 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)N(C)C 1690526105 XSENJZOYSVPUOL-MRXNPFEDSA-N 456.613 1.906 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1690673388 UZMMVRDGSAQERI-HJPURHCSSA-N 453.547 1.670 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690673951 KEBRBAXOUVHVOZ-XLIONFOSSA-N 471.631 1.221 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1690722529 MPCOEGNFBLVFFN-FQEVSTJZSA-N 470.555 1.922 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCOC2(CCOCC2)C1 1690726880 OYEXYKMVZDJBMR-UHFFFAOYSA-N 452.602 1.917 30 10 JDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1)OC 1697756463 DFTIVTCSWMVLRM-PMACEKPBSA-N 454.531 1.306 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CC(OCC)C1 1705580734 QCDSJNKQTVJHJE-UHFFFAOYSA-N 460.538 1.678 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)OCCc2sccc21 1705612301 DQCJKYWEXZACAF-UWJYYQICSA-N 479.628 1.620 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[S@](=O)CC)CC1 1705639282 KXCLFGBHUHQRCS-DUTUXMCTSA-N 478.663 1.916 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1705642719 FNXJUNKIBURLIM-IBGZPJMESA-N 473.599 1.446 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCNC(=O)C2CC2)CC1 1705652597 GIQBGYSOAPCWDO-WOJBJXKFSA-N 470.618 1.689 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C(=O)N(C)C)CCCC2)CC1 1705780863 ISIWVBZGIOJMGA-MRXNPFEDSA-N 452.625 1.939 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1705890642 AKEYTHZEBKQEKT-KSZLIROESA-N 468.624 1.318 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(Cl)nc2)C1 1705925874 VNMLKKXZTHFZEB-IAGOWNOFSA-N 482.994 1.489 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C(C)C)N2CCOCC2)C1 1705926228 ZTLZVPVNZRNKLV-VAMGGRTRSA-N 467.636 1.318 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1705934519 ONONKBLQCFLQIG-AEFFLSMTSA-N 478.644 1.775 30 10 JDEE CC(C)Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCn1cc(CO)nn1 1706418094 HBAJQSWWBIFSOT-UHFFFAOYSA-N 467.553 1.988 30 10 JDEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1711510336 DEHIDPYMSSSLHV-KRWDZBQOSA-N 479.585 1.792 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCOCC1 1722290593 MQQYYPXVDBVLAV-RBUKOAKNSA-N 462.595 1.767 30 10 JDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722318840 GIQFEUDLYFKIJM-UHFFFAOYSA-N 482.614 1.620 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCOC[C@@H]1C 1722378477 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C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740778582 LXVFNJRVHZGIHF-CYBMUJFWSA-N 475.347 1.439 30 10 JDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCN(C(C)C)CC1 1746335451 BZCRYPRARUNVAG-UHFFFAOYSA-N 474.631 1.923 30 10 JDEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)N2CCOCC2)cc(OC)c1OC 1748520654 HTHIXVFEYYMIHS-QFIPXVFZSA-N 474.493 1.272 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1Cc1ccccc1 1748671708 MVCQASSNZAYBKV-NNWRFLSQSA-N 486.642 1.734 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1748816431 ZUJUGYQCTGOPHU-MOPGFXCFSA-N 457.556 1.294 30 10 JDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCn1cncn1 1748898810 TVBOZNBVWZMNDV-UHFFFAOYSA-N 457.586 1.397 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC(=O)NCCC)CC1 1748984979 YFAAJNIYVUEDOU-UHFFFAOYSA-N 475.391 1.998 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1748994401 FUOCDCYOQAZNPR-MGBGTMOVSA-N 465.627 1.822 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1749193259 DGUYVQRPLVPGEO-NRFANRHFSA-N 474.631 1.818 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1749650905 JDJUNNYSLHMVPF-JOCHJYFZSA-N 473.965 1.126 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749657816 GOBBKUOSIMWJJZ-UHFFFAOYSA-N 466.995 1.761 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1749659519 GCQGYEBUOPORSQ-FUHWJXTLSA-N 484.557 1.344 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C(C)(C)O)cc2)C1 1749699072 ZAUYAZHRAOWLHM-VQIMIIECSA-N 463.604 1.945 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCN1CCC(O)CC1 1760120272 KCNLFLFOOVHWHT-QHCPKHFHSA-N 479.673 1.948 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1760154153 AYMVXNZXIFJJND-NYLDSWQDSA-N 490.674 1.411 30 10 JDEE C#CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1760189462 PIJVYMRGMGAAEW-OSJSJHBBSA-N 476.628 1.831 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1760191147 BNZAETXJEPBIDL-FPOVZHCZSA-N 485.566 1.161 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1760192462 UVBFSVDYJYKDBW-AZUAARDMSA-N 460.531 1.968 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 1760251855 JPIUVEUZOWLONY-UHFFFAOYSA-N 479.507 1.750 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2(COC)CCOCC2)CC1 1760271813 NAKFYTSOAXQYCC-UHFFFAOYSA-N 466.586 1.673 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccnc(OC3CCOCC3)c2)CC1 1760273099 IAWGOQVLEHSSRD-UHFFFAOYSA-N 482.585 1.782 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1760279981 GMFMLVJSQHAKBT-UFYCRDLUSA-N 459.664 1.590 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)COC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760327614 JXBSURQTRXNQIC-NHCICSSKSA-N 477.606 1.595 30 10 JDEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760357780 IUZWHKADXKMKIG-UHFFFAOYSA-N 488.539 1.667 30 10 JDEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)COCCO1 1760502329 VHXSSPHVXHRGSM-OAQYLSRUSA-N 450.561 1.793 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1760517764 XNSLUYGBUURZHX-UHFFFAOYSA-N 455.563 1.840 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1760520917 DIKYHJSCLAGXDS-IBGZPJMESA-N 453.547 1.004 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1760526724 GKDKTOHQFZBXMD-GOSISDBHSA-N 453.503 1.471 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760528204 VTSCMMZEEJOCNS-DEOSSOPVSA-N 497.625 1.996 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCN(C(C)=O)CC2)C1 1760537811 QLXOQIJEVVNVCG-XUZZJYLKSA-N 476.622 1.264 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1760546895 YLVGMORYIVLBKL-UTKZUKDTSA-N 450.536 1.339 30 10 JDEE CCc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CCOC)C(=O)C2)s1 1762830533 HQIWABZKKOHBSZ-UHFFFAOYSA-N 452.544 1.574 30 10 JDEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CC1 1766575209 BVVBEXOWYVUDEQ-UHFFFAOYSA-N 464.574 1.927 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(C(C)=O)CC1 1772660433 VMCZFPDUJUEDNP-UHFFFAOYSA-N 477.587 1.622 30 10 JDEE COc1cc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCNC(C)=O)cc(OC)c1O 1862564607 DKLWBCGOCNZHTH-LJQANCHMSA-N 455.467 1.706 30 10 JDEE COc1ccc(CCN2C(=O)c3ccc(C(=O)N=c4[nH][nH]c(CC#N)c4C#N)cc3C2=O)cc1 1865884960 RMYRBCVPLGGJDF-UHFFFAOYSA-N 454.446 1.869 30 10 JDEE Cc1nc(SCc2cc(=O)c(OCC(=O)NC[C@@H]3CCCO3)cn2CCO)c(C#N)c(C)c1C 1870296716 RCZVHENGYLFJFK-IBGZPJMESA-N 486.594 1.999 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cn(C)nc3-c3ccccn3)CC2)CC1 1889484391 VPGQIMQXYSDGLM-UHFFFAOYSA-N 450.587 1.744 30 10 JDEE COc1nc(CNC(=O)[C@@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)nc(N(C)C)n1 1890214039 WUOBITIKLAYZOQ-RTBURBONSA-N 469.571 1.528 30 10 JDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCO[C@H](C(=O)N3CCOCC3)C2)[C@@H]1c1ccc(C#N)cc1 1892215766 UJGWCKYDODLJOG-BVSLBCMMSA-N 486.594 1.038 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1 2255672335 FIOUUMDWUZNSJG-IKGGRYGDSA-N 467.335 1.254 30 10 JDEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2256629185 QWNLOZCBRLCRNZ-UHFFFAOYSA-N 452.386 1.934 30 10 JDEE CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267136965 NSDUNSJODAXPCR-UONOGXRCSA-N 450.345 1.463 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1CC(NC(=O)OC(C)(C)C)C1 2267366457 GRPQLCJFSCQGIM-UHFFFAOYSA-N 470.401 1.301 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCO1 2267718379 SNBTYKDHSZGYRU-AWEZNQCLSA-N 488.437 1.962 30 10 JDEE Cc1c(C(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281800607 LLQVBEQDAMFENC-UHFFFAOYSA-N 464.372 1.129 30 10 JDEE Cc1c(C(=O)N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281991498 AXRMLMFURBSHBY-OALUTQOASA-N 498.389 1.841 30 10 JDEE 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30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CC1(N(C)C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1689986096 IOBONBJIFFPZDJ-FQEVSTJZSA-N 471.627 1.991 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C(C)C)N2CCCC2)CC1 1690134975 NJTRQRXJOGSZRP-OAQYLSRUSA-N 469.634 1.600 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1690375739 SFSIVFQGCYNEGU-QTYPKTMWSA-N 493.655 1.694 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(O)(c2ccccc2)CC1 1690723467 SLEXGFQULREXFZ-SFHVURJKSA-N 459.572 1.318 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nccnc2C)C1 1695945938 HNZLSVMOAOFCMR-IBGZPJMESA-N 466.571 1.676 30 10 JDEE CS(=O)(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCC2)CC1 1698310241 FLYGTEZUQXTYJF-UHFFFAOYSA-N 474.587 1.506 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNc1nccc(C(F)(F)F)n1 1705477993 VCPNIKKXZXAPNZ-NEPJUHHUSA-N 460.486 1.267 30 10 JDEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(S(C)(=O)=O)CC1 1705525805 VQGZRJLRHLSXMM-UHFFFAOYSA-N 455.382 1.541 30 10 JDEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCS(=O)(=O)CC1 1705536103 AMLGIFMMALODDG-UHFFFAOYSA-N 456.616 1.291 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1coc2ccccc12)[C@H]1CCS(=O)(=O)C1 1705558529 ADIQJYPZLVFBDM-KRWDZBQOSA-N 455.540 1.838 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1705570509 NYFQCESELKIABE-REWPJTCUSA-N 458.584 1.610 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1C 1705597731 OSHDBPQSVOHZOC-OAQYLSRUSA-N 471.583 1.461 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cnc2c(Cl)cnn2c1 1705598068 APIJCGZHYIMGSV-KRWDZBQOSA-N 471.974 1.582 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2csc(COC)n2)CC1 1705648045 PQEOBLORFFGHSD-UHFFFAOYSA-N 452.544 1.352 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC[C@@H]1CCCO1 1705675099 XSKARCWKRQIXDQ-NNMXDRDESA-N 481.619 1.189 30 10 JDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705738002 HSDTXPFUWUDVHY-UHFFFAOYSA-N 456.576 1.813 30 10 JDEE C=CCn1c(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1705893415 HQIOZSSSFSEFMU-LJQANCHMSA-N 468.605 1.392 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1705899316 OVNNNFWNJKWUFW-UHFFFAOYSA-N 482.520 1.444 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1705903101 QDUDKUIZTJWOBF-OAQYLSRUSA-N 459.639 1.817 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705907148 BJCLKWNOTHHPCZ-UHFFFAOYSA-N 489.580 1.732 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1705931777 ZWNDIQCARQIXJE-QFIPXVFZSA-N 478.571 1.559 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1705934992 DAWPOUFHKZYZMB-VGOFRKELSA-N 464.563 1.993 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C2CC2)CC1 1705946413 HFKIUZVWJFZXES-MRXNPFEDSA-N 453.634 1.594 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1706746805 DXFYAVZVOKRKFZ-BWZHCXAASA-N 466.608 1.291 30 10 JDEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(OC)CCOC2)CC1 1710045785 BNYHOKRYOJHOOX-RUZDIDTESA-N 481.601 1.613 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H](C)N2CCOCC2)c1 1722308760 FVMBDEWKJYAESJ-SFHVURJKSA-N 462.558 1.456 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCNS(C)(=O)=O)CC1 1722435775 OKWLMANMQXTJEA-UHFFFAOYSA-N 485.383 1.151 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1722445741 BILXSGYEIJMPTG-KDURUIRLSA-N 468.606 1.144 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@@H](C)C1 1722476067 XWBQIVRWOGIMLP-WOIUINJBSA-N 464.636 1.335 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc(-c2cnn(C)c2)n1CCN1CCCS1(=O)=O 1722673502 UPJBDBCFLOTVKU-UHFFFAOYSA-N 455.588 1.949 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1722727446 LILFVNANNIIOIN-UHFFFAOYSA-N 463.633 1.877 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1722736909 MPHCPDAHUDBAPX-MRXNPFEDSA-N 455.581 1.788 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC1(O)CCCC1 1723942027 AYCHHRMKBTUZAH-GOSISDBHSA-N 487.630 1.782 30 10 JDEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)OC)CC2)CC1 1728628628 FGIPRWROHZQCMM-FQEVSTJZSA-N 480.617 1.979 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cc(C)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1740615366 BVXRVDUQAWDBKT-LJQANCHMSA-N 471.583 1.506 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1740624574 IEUSZJQBAFHHFE-AZUAARDMSA-N 497.625 1.448 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(N(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 1740624901 MSGIANFGOUVLLN-NRFANRHFSA-N 484.626 1.450 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2Cc2cnnn2C)CC1 1740691971 FJJHEVWCYHBWOT-UHFFFAOYSA-N 471.363 1.648 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[C@@H]2CCOC2)CC1 1740697905 POLYIQKFMQKVRF-LJQANCHMSA-N 472.615 1.377 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCc2cccc(C(=O)NC)c2)CC1 1740704450 PYCXKCAXORXBHF-UHFFFAOYSA-N 471.565 1.908 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@]1(OCC)CCOC1 1740765558 AFAPYZBPOUDTGV-RFWXGWTQSA-N 463.579 1.206 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccnc(C)n2)CC1 1740786527 GZSWVJKBYKVDJE-UHFFFAOYSA-N 463.546 1.943 30 10 JDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2noc(C)n2)CC1 1740796098 NXUHVDMGOSQFAJ-UHFFFAOYSA-N 458.567 1.397 30 10 JDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1740908222 OYFSQXKAANGWKZ-INIZCTEOSA-N 479.628 1.785 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1740947048 OTWGZVBYRBHKOR-NQIIRXRSSA-N 490.630 1.689 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CC)C1 1740968432 BDGAORSYNAFGGK-TZIWHRDSSA-N 491.614 1.839 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](COC)C1 1740993836 DTHLTJKTLWSUIG-GOSISDBHSA-N 459.572 1.803 30 10 JDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1748712988 MRABMLXXBHPWIE-KRWDZBQOSA-N 493.659 1.512 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1748809443 SKGHSVHDZNROPQ-RDJZCZTQSA-N 478.571 1.633 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccnc1OCC(F)F)[C@H]1CCS(=O)(=O)C1 1748812520 VJFKXKNIJPKDNN-KRWDZBQOSA-N 491.524 1.393 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1748820993 LAYWPKUVMXXRMV-SFHVURJKSA-N 473.990 1.863 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cnc2ccccc21 1748929948 SYQJWILGTGXTMV-HXUWFJFHSA-N 471.587 1.511 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCS(=O)(=O)CC1 1749536797 XZNHJIKWBWXZGG-QGZVFWFLSA-N 481.644 1.906 30 10 JDEE C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1749620822 WYHLZNPNQGVRNW-KRWDZBQOSA-N 456.547 1.523 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(C)C)CC1 1749650776 HDYPQFLPCXNPCZ-UHFFFAOYSA-N 459.982 1.694 30 10 JDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCC(NS(C)(=O)=O)CC1 1749690185 SIZQKFYPVBGOPW-UHFFFAOYSA-N 488.614 1.532 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2F)CC1 1749721584 OJDWDJVPSCMLQD-UHFFFAOYSA-N 464.567 1.483 30 10 JDEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NC(C)C)C[C@H]2C)CC1 1749840981 OPVRBLVOYUQXMR-AUSIDOKSSA-N 492.628 1.720 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCOC(C)(C)C1 1760102293 HTTULUCDFIQTIG-GOSISDBHSA-N 474.631 1.764 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1760181228 RERQQHUJKNHGSU-JYLXEMOASA-N 466.604 1.372 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC(=O)N(C)C)CC1 1760259524 MXTYXMWSDMQMOO-LJQANCHMSA-N 473.622 1.626 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCCCC2)CC1 1760265259 USGUUTGFVSLUNT-UHFFFAOYSA-N 455.607 1.356 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCCc2cnn(C)n2)CC1 1760268040 KLIVLZVEJFUZGB-UHFFFAOYSA-N 450.522 1.811 30 10 JDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760274670 RIVDKFDLCLGDPP-UHFFFAOYSA-N 498.609 1.256 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccccc1 1760294884 IYEUOQZJFBWIFL-WWPVKYPJSA-N 473.599 1.511 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760505996 WZUXSVALNHGERM-GBESFXJTSA-N 453.609 1.973 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCS[C@H](C)C1 1760517618 SCCLIFTWXYODPK-OAHLLOKOSA-N 464.617 1.439 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCOC(C)(C)[C@@H]1C 1760521456 TUWJUCODWUMRRQ-HNNXBMFYSA-N 451.531 1.498 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N2CCSCC2)C1 1760540029 ZPLKUHLKSNTDFT-FQEVSTJZSA-N 488.639 1.977 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1760550717 GYLPHAZXBMIYQY-UHFFFAOYSA-N 482.628 1.958 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(CNC(C)=O)CC1 1760554972 SJDRJSPYYMRIFT-OAQYLSRUSA-N 489.598 1.744 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1760557444 LYYXPBDRSATEAG-HSZRJFAPSA-N 457.600 1.913 30 10 JDEE Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](c3cccc(C#N)c3)C2)on1 1762679735 HEJICOTXDNIKKC-KXBFYZLASA-N 471.543 1.683 30 10 JDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCCO[C@@H](C)C2)CCOC1 1765879349 HAQYSULWFGAVOI-VLCRHTCISA-N 450.559 1.873 30 10 JDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cc(C)on2)CC1 1766686598 CSNONTOWLFJTRO-UHFFFAOYSA-N 469.571 1.870 30 10 JDEE CNS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1767853434 AVTUGTJYAALXNR-HXUWFJFHSA-N 467.555 1.263 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC1 1771100144 HTHRVNRQJOAEMO-HXUWFJFHSA-N 474.587 1.546 30 10 JDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)CN3C(=O)COc4ccc(Cl)cc43)cc2C1=O 1870156372 JSZXFAYOEQWDGK-UHFFFAOYSA-N 491.851 1.382 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2184063966 MPSAVVLCSZBTMQ-OKZBNKHCSA-N 462.352 1.656 30 10 JDEE 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C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2OC(F)F)CC1 1539432127 XYFSGMQEURCKOX-HNNXBMFYSA-N 468.530 1.293 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H]2CCCCS2(=O)=O)CC1 1539461713 JDXJYDDPMLFOMR-FQEVSTJZSA-N 487.626 1.978 30 10 JDEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539603507 ROTXISVBCOAQPG-HNNXBMFYSA-N 460.336 1.645 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](CC)C1 1539631098 ITQRWRNDYBBRCS-MHTWAQMVSA-N 481.663 1.708 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc2c(c1)OCCO2 1540874829 SXLFPOIYBZGBJT-UHFFFAOYSA-N 451.531 1.850 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1540897918 VLBPXYVGVZEGDI-SFHVURJKSA-N 495.627 1.371 30 10 JDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(C)CC1 1558298433 FFRVKKMHEWNTBD-HSZRJFAPSA-N 450.587 1.848 30 10 JDEE CCc1nnc(O)c(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1CC 1564368167 AMPMJGLBXBGQLA-UHFFFAOYSA-N 458.544 1.395 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CSc3ccc(Br)cc32)CC1 1564683967 WRLPGEXOCRRBIS-CQSZACIVSA-N 459.391 1.391 30 10 JDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(OCC(N)=O)CC1 1587847305 IZVQMJVYTCPZAX-UHFFFAOYSA-N 463.542 1.559 30 10 JDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1587879236 PQJOGFCZEJALKX-XMSQKQJNSA-N 452.607 1.542 30 10 JDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1588030514 WQZORBOFSIVFIH-GBESFXJTSA-N 483.660 1.232 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1588030647 ZETCQJOXGBUNBQ-DOTOQJQBSA-N 473.534 1.361 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(=O)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1588055364 VRPZEUDFEYZYFF-PMACEKPBSA-N 471.583 1.067 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1588170995 QFGDAUFWKOLZCU-UHFFFAOYSA-N 468.583 1.276 30 10 JDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(N(C)C)CCOCC1 1588309970 JSRARZMEBIYNKL-UHFFFAOYSA-N 459.620 1.809 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCS(=O)(=O)N(C)C)CC1 1588946250 ACYANVQHDGJWNJ-UHFFFAOYSA-N 494.568 1.004 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCN(C)CC(F)(F)F)CC1 1588955547 ZZNLVNGNLBLEJX-UHFFFAOYSA-N 463.508 1.724 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ncnn1CC(F)F 1589482062 FPLZBIBIFGLKFK-MAUKXSAKSA-N 464.521 1.988 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CC(=O)NCC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1589582006 YGLAGAFKWYSMCB-JLRUASKGSA-N 490.649 1.558 30 10 JDEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1 1593696696 VUSWTHDDFBMAJE-UHFFFAOYSA-N 467.979 1.689 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)=O)CC1 1594788477 NCJCBGBHYQOASE-UHFFFAOYSA-N 476.603 1.457 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1595789394 RXHCDSWJDSSDQR-IBGZPJMESA-N 492.646 1.305 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(F)cc(F)c1 1595796570 AJOOVUIYPUDIPO-HNNXBMFYSA-N 474.555 1.696 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(C3CCOCC3)C[C@H]2C)nnc1[C@]1(OCC)CCOC1 1595830698 FNDXTXYTJJLYSS-XXBNENTESA-N 497.662 1.221 30 10 JDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)c1ccco1 1612880185 BDPYVIWWNGTXOB-INIZCTEOSA-N 463.498 1.419 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2nn(C)cc2I)c1 1627802992 GTVPWZVMIONQEC-UHFFFAOYSA-N 457.293 1.752 30 10 JDEE C=CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)CC1 1638656885 XRQRCPXZRQRNDS-UHFFFAOYSA-N 454.545 1.268 30 10 JDEE C#C[C@H](NCC(=O)N(Cc1ccccc1)c1c(O)nc(=O)n(CCCC)c1N)[C@@H]1CCCO1 1645351844 OKKSGYLFTDUULB-OALUTQOASA-N 453.543 1.635 30 10 JDEE COc1ccc(Cl)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1661280642 GXOCMZJGZBDTQZ-UHFFFAOYSA-N 455.945 1.915 30 10 JDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1689932144 RQLBQVBINFZTAL-DLBZAZTESA-N 467.592 1.623 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689978084 LRGNZSDCRYNURQ-FQEVSTJZSA-N 493.593 1.689 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1689980560 UMKVVPRCRHFVII-AEFFLSMTSA-N 491.589 1.956 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1689991211 YJFVCFJSXBZNSK-UXHICEINSA-N 471.583 1.488 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)n1 1690109172 JDGCBHPSAPQIAM-CLOONOSVSA-N 475.553 1.839 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCC(=O)NC)CC1 1690117897 ZNEYFZAQRPFTCT-UHFFFAOYSA-N 461.364 1.608 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1690139247 FHXVYWQNKMTQHM-XXBNENTESA-N 497.596 1.980 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1690146183 HNVZQNKSLWAVJD-VTLMBFNKSA-N 469.611 1.675 30 10 JDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690310090 TWQMEWGYQSXKNN-INIZCTEOSA-N 487.586 1.705 30 10 JDEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@H]2C1 1690508201 CXUXBMPEGICKMS-ROUUACIJSA-N 491.593 1.393 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS(=O)(=O)CC1 1690681260 LBXABJVXMGEIBS-UHFFFAOYSA-N 468.539 1.773 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1690726595 FQDVVKAAJLXUCK-SFHVURJKSA-N 462.576 1.580 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@@]1(O)CCS(=O)(=O)C1 1705486449 FJZKQHBXYJVULO-UGSOOPFHSA-N 453.362 1.715 30 10 JDEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)N1CCSCC1 1705497366 ZIQZKTCJSCMCBT-HNNXBMFYSA-N 469.583 1.984 30 10 JDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 1705515259 YREFFXKBQGYRHL-UHFFFAOYSA-N 476.585 1.254 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1705559851 GLCORSWCKCSXHU-OAHLLOKOSA-N 471.568 1.251 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705569122 ZSGWJMTVAPGHNM-LBPRGKRZSA-N 461.491 1.459 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1705569878 HVSXQRWSHXXZDI-OAQYLSRUSA-N 469.611 1.863 30 10 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C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC1CC1 1740637924 IXLNRTGOIQTRAO-LJQANCHMSA-N 454.575 1.992 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(Cl)cc1 1740640870 YCNJJYRWJDBMMR-XLIONFOSSA-N 492.001 1.805 30 10 JDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1740661029 NNLGKQBGAIMOHB-CAMMJAKZSA-N 452.559 1.463 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H](C)N(C)Cc2ccccc2)CC1 1740696219 OKHGEMMCNCPPSB-JTHBVZDNSA-N 484.670 1.846 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCCOC 1740726137 YJCDTDWZQOMQHU-HTAPYJJXSA-N 461.588 1.954 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCC2)CC1 1740889057 YDCKHLFNECFKCU-FQEVSTJZSA-N 482.651 1.268 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740941007 ZLXWMOWWDRLXAX-BZSNNMDCSA-N 466.608 1.072 30 10 JDEE C=CCn1c(-c2cnccn2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1740945948 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C#CCN(c1nnc(COc2ccccc2CC)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1286394649 JWQJYKQYPSXDSW-GOSISDBHSA-N 459.572 1.182 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cn(C2COC2)nn1 1286414064 RIFWJIYNSWFREB-UHFFFAOYSA-N 480.573 1.677 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(F)c(F)c2F)CC1 1286482079 ZLLGXGPEKLUUIB-MRXNPFEDSA-N 467.517 1.595 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1286485168 WSHCNFCDXIZPET-HXUWFJFHSA-N 485.658 1.382 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC[C@H](O)C2)CC1 1286487363 VJUDOTGNWHPQDZ-HKUYNNGSSA-N 465.558 1.442 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCNC(=O)C2CCC2)CC1 1286490720 QCUYTVDGNDJDFA-UHFFFAOYSA-N 463.586 1.921 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1286493281 UCTMCHHAUHNAHQ-AREMUKBSSA-N 478.597 1.918 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C2CC2)N(C)C)CC1 1286495452 WFMBXSXJDAQBFF-ACRUOGEOSA-N 458.607 1.308 30 10 JDEE C#CCSCCn1c(N2CCN(C(=O)NC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286512032 HMWTUTQTUHJMIX-CALCHBBNSA-N 477.635 1.877 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1286592441 FUNDKAHGRIUTPE-FQEVSTJZSA-N 489.577 1.524 30 10 JDEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1286731240 DZQQJTXMRWFXGY-OAQYLSRUSA-N 479.990 1.566 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1286781749 ZJBKOBWJXGGVRS-UHFFFAOYSA-N 473.965 1.334 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1286782528 XOTWZELDQSBDHD-HXUWFJFHSA-N 499.597 1.445 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1286807953 IGFIULONJOBDID-MRXNPFEDSA-N 457.535 1.810 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccccc2C)C1 1286818143 UKYMKZYBDCASDU-QZTJIDSGSA-N 481.644 1.791 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(O)(c2ccccc2)CC1 1286818300 GEVYSYMTRJUECM-UHFFFAOYSA-N 454.556 1.824 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(O)cc2)CC1 1286823157 LCEBWLVEKSNCKT-UHFFFAOYSA-N 485.614 1.773 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCS(C)(=O)=O 1286825129 MFCYHITZJGMRRD-HZPDHXFCSA-N 462.638 1.278 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1300489865 UMNCJPRCLDDELG-HXOBKFHXSA-N 487.582 1.067 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCC1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1300501679 NAAYGMXJXKBYQO-HXUWFJFHSA-N 476.647 1.149 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1300520754 OYEILSBXHPBWCX-UHFFFAOYSA-N 461.913 1.330 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1300579430 RCVRMXOLXLFIMX-VWLOTQADSA-N 460.538 1.943 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCC2(F)F)CC1 1300711787 HMFGBWCDBSFJJX-RDJZCZTQSA-N 486.589 1.680 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCCN2CCC)CC1 1300719865 TWEWUHXRIXNZRI-FQEVSTJZSA-N 450.591 1.965 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1301492575 KHCFUVKKTADYTF-DEOSSOPVSA-N 470.574 1.566 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(F)CCC2)C1 1301557938 RXRWSCXVBLBTQV-SJORKVTESA-N 457.572 1.675 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1301587293 YCVXBFXGUNFZPO-OALUTQOASA-N 470.555 1.280 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCOCCS(C)(=O)=O 1358875230 LGKCTPLIEDJGEP-CYBMUJFWSA-N 458.382 1.565 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1358881686 KZHCUNOZRLZRSD-MESBPSPMSA-N 450.499 1.947 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2cnccc2OC)c1 1358902208 HECDIXILJJTXPD-LJQANCHMSA-N 459.510 1.737 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1358955412 LLDVDYUZXQVARL-LJQANCHMSA-N 473.599 1.684 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1358960063 VTAZESYEMOPIGA-SFHVURJKSA-N 460.556 1.122 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358960750 KXPXBXPLLKUKHJ-HSALFYBXSA-N 472.615 1.466 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC1(O)CCS(=O)(=O)CC1 1358971380 SHUAUZUBNXDAOB-UHFFFAOYSA-N 480.388 1.059 30 10 JDEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(O)CCN(C)C1 1358982089 KBGWKRRZOHKLDV-OAQYLSRUSA-N 458.360 1.759 30 10 JDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(=O)NCC(F)(F)F)CC1 1359034349 NHFYFPDHZIAGLZ-UHFFFAOYSA-N 474.447 1.028 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C(CC)CC)N(C)C)CC1 1359039907 AOYOSYFSCVKILU-OAQYLSRUSA-N 471.650 1.846 30 10 JDEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1359155639 FMLOVCWKTPLEFS-UHFFFAOYSA-N 457.926 1.253 30 10 JDEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359264607 JRSBQDRRZDTQEG-QGZVFWFLSA-N 478.644 1.936 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1359299941 QCHNGDXPDVGDRQ-IRXDYDNUSA-N 489.374 1.872 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1359327380 ZKCVDUOAGTUOSA-LJQANCHMSA-N 475.619 1.770 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@]2(CCOC2)C1 1359327471 CBHFDBKGURHXPQ-GOSISDBHSA-N 486.392 1.632 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)c2ccccn2)CC1 1359334023 QUJCCMFLMLQHHH-UHFFFAOYSA-N 498.584 1.966 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1359334478 HMUKKVDRDOCRMQ-JOCHJYFZSA-N 477.562 1.238 30 10 JDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1359335347 IYJPGMACIAZLFJ-CALCHBBNSA-N 469.608 1.719 30 10 JDEE C[C@@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccco1 1360726373 CKIOVTOSQIGJMD-JOCHJYFZSA-N 470.555 1.789 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC)c(OC)c1 1507536399 BVXFQBCUZXTOPO-OXQOHEQNSA-N 477.587 1.525 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)F 1507538248 LDFNSCONZWCUEU-KGLIPLIRSA-N 456.494 1.426 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1507627239 RHUXQFAJHQJFDO-LSDHHAIUSA-N 499.515 1.565 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(S(C)(=O)=O)cc1 1507669995 XBJSSVKBHHDNEJ-LJQANCHMSA-N 474.608 1.289 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@]2(O)CCOC2)CC1 1507721521 VAVHDKIZGVOWSU-OAQYLSRUSA-N 460.376 1.923 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCCN2CCOC2=O)CC1 1507732448 NGHWBJXKOCKDLO-UHFFFAOYSA-N 454.531 1.463 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNS(C)(=O)=O 1507772671 MPTYOJPDUVMKFJ-JOCHJYFZSA-N 472.619 1.384 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507806304 HBCQHZIDRGXHDW-SXYSDOLCSA-N 463.579 1.325 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCCC 1508000067 UITYCTAYYZZHGC-LJQANCHMSA-N 456.572 1.771 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1508092230 AMGCNQUBLSWCRY-UHFFFAOYSA-N 482.564 1.744 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN([C@H](C)C(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1508097335 HZMMGOUBCNCXPQ-DNVCBOLYSA-N 460.501 1.305 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1508143815 ODDZMORTHRSJMD-JOCHJYFZSA-N 478.619 1.515 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCOC2(CCCCC2)C1 1508144190 RPOZWERUNASNRE-UHFFFAOYSA-N 451.593 1.541 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1508146967 FYZQURGIYJYUTD-MANSERQUSA-N 454.593 1.751 30 10 JDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1508154153 VCFWGEBLPADRFU-UHFFFAOYSA-N 453.638 1.848 30 10 JDEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCS(=O)(=O)CC2CC2)CCOC1 1516193605 FCOFZZUFHPQFEV-NHCUHLMSSA-N 451.593 1.885 30 10 JDEE CNS(=O)(=O)c1cccc(Cn2c(Cc3ccncc3)nnc2N2CC[C@@](F)(C#N)C2)c1 1517619573 CBKSCLBYWOLVRB-OAQYLSRUSA-N 455.519 1.662 30 10 JDEE CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CCCO)CC1 1519507364 CTTSUHWWGLMLJJ-HXUWFJFHSA-N 472.615 1.677 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539203738 UHUJSRXKZZPTGV-MOPGFXCFSA-N 464.636 1.308 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1539231414 VRGWTLKIMVBUCW-QFIPXVFZSA-N 453.612 1.952 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(C(F)(F)F)c1 1539415808 HEZSISILDYLELV-HNNXBMFYSA-N 457.478 1.728 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1539453670 ORNLSBMPSWWHML-NRFANRHFSA-N 488.583 1.989 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(C(=O)NCC)c2)CC1 1539480621 CSPKNSKEMKJXFT-QFIPXVFZSA-N 478.597 1.936 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC[S@](=O)C(C)(C)C)CC1 1539484362 MJUVCXOFYBUIMM-YTTGMZPUSA-N 456.616 1.777 30 10 JDEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1539497063 JMGPUCDVTPAUKC-INIZCTEOSA-N 475.644 1.580 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OC)CC1 1539517441 NOPCKLAOGYFOMW-QGZVFWFLSA-N 494.618 1.841 30 10 JDEE C#CCSCCn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539531192 SFOVFXBSVVKAGH-JPYJTQIMSA-N 490.630 1.452 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1540004831 GYJYPBZACKEXPA-HNNXBMFYSA-N 465.605 1.853 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1540858040 CPQDVCUGDYJUNQ-WOJBJXKFSA-N 460.604 1.902 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1540876240 LHHIGXRHYFNIEB-SBUREZEXSA-N 478.594 1.678 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1540917583 ZXUVDNYYUOFCEQ-OXJNMPFZSA-N 466.633 1.585 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)C1 1541200398 FTHYZMBTMCFFLL-IKGGRYGDSA-N 459.551 1.605 30 10 JDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1554121996 DUDCRUHYSWDNCX-LJQANCHMSA-N 452.540 1.990 30 10 JDEE CN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CC1)S(C)(=O)=O 1554124283 FMZZCFRHMDMPDJ-UHFFFAOYSA-N 471.587 1.203 30 10 JDEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCCC1 1554393744 BWBASZUCLDJDRN-KRWDZBQOSA-N 488.614 1.904 30 10 JDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)C(C)(C)C)CC1 1555200644 BOHRUVOHPYNISZ-UHFFFAOYSA-N 474.587 1.325 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2c2noc(-c3ccccc3)n2)cc1 1567471401 SVAWHLRRNZBFEE-LJQANCHMSA-N 452.492 1.862 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1587803924 QAQYQGZLTBWKQP-TZIWHRDSSA-N 478.601 1.718 30 10 JDEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCCn1cc(CO)nn1 1588012092 VQNNBBCHDCHPTI-UHFFFAOYSA-N 460.336 1.863 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1588035066 OYOXCIMFZWXJGZ-MSOLQXFVSA-N 480.612 1.400 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1588065092 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1624893782 JMNSAACOQMBTDG-HNNXBMFYSA-N 451.545 1.965 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1680700122 KWYIWDBVLFOIEK-YOEHRIQHSA-N 457.574 1.532 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1689966409 RDGMOAADIQTJKX-MSOLQXFVSA-N 496.634 1.328 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cc(F)ccc1OC)[C@H]1CCS(=O)(=O)C1 1689977975 JBIWPRCTMJSCQI-KRWDZBQOSA-N 463.535 1.239 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1689982817 VIQULWATFWCSQH-NFBKMPQASA-N 476.574 1.939 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OCCC)nc1)[C@@H]1CCS(=O)(=O)C1 1689991079 VNOGFMCYGSHBPI-RTBURBONSA-N 459.572 1.641 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(NC(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 1689998682 SYGNTUPBMLIQPY-RBUKOAKNSA-N 473.555 1.983 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1cc(Br)cn1 1690033007 OIYQIYBLHNLYCO-CQSZACIVSA-N 468.381 1.010 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(F)cc2)CC1 1690077022 GYGFOTKMJLVVDV-LJQANCHMSA-N 461.563 1.941 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc2c(cc1OC(F)F)OCO2 1690102176 FCCJVOHXKOVFPB-AWEZNQCLSA-N 463.441 1.694 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)cc1OC 1690103448 CSVDRJUDMAMANF-INIZCTEOSA-N 452.964 1.977 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1690115081 QPPFCCCFQQBVTJ-FQEVSTJZSA-N 466.590 1.635 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C(N)=O)cc2)CC1 1690138103 RYMFQOWVVUBDRE-AREMUKBSSA-N 494.596 1.432 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1690152411 JYOLXDWVPLBTTH-UHFFFAOYSA-N 489.573 1.539 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccc(F)cc1 1690287995 CLLGNZGQOITPJK-SFHVURJKSA-N 453.540 1.841 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@H]1C 1690560732 ZUDWKCWLFLEWGF-KNQAVFIVSA-N 484.626 1.965 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690663351 UECPVCDXYGVXDQ-IBGZPJMESA-N 454.531 1.084 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1cccs1 1690723897 CTJSOKXNTKBNHU-OAHLLOKOSA-N 458.631 1.521 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](c3ccnn3C)C2)nnc1[C@]1(OCC)CCOC1 1690731523 KTNPNMWAZBXQDQ-AVRDEDQJSA-N 478.619 1.649 30 10 JDEE CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1695758529 GFEMBHPTGHLWEP-HOTGVXAUSA-N 468.580 1.166 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)C(=O)NCC 1705481194 BDQCSJQDYRDRAF-MRXNPFEDSA-N 460.604 1.816 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1705561830 UPCUUEILVIWCMC-XLIONFOSSA-N 456.634 1.699 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1705568798 VKJJFQDGYRPMKQ-SFHVURJKSA-N 487.582 1.115 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@]2(N(C)C)CCSC2)CC1 1705647489 FOIIMGCBTDAURH-AUSIDOKSSA-N 460.648 1.923 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC[C@H]2C)CC1 1705648728 XHXNMNQYPSTATM-HOJAQTOUSA-N 492.646 1.013 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCn2ccnc21 1705716701 SFOHFIMRNPCCBS-QZTJIDSGSA-N 463.608 1.788 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccccc1 1705876003 MPOYYUKLPANQQX-DENIHFKCSA-N 461.588 1.697 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705898864 ABYYFYYRDIXKFC-ZDUSSCGKSA-N 468.377 1.633 30 10 JDEE COc1cc(C)nc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NC(C)C)CC2)n1 1711640206 DMVLWCJUEHJSQC-UHFFFAOYSA-N 475.557 1.775 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1722361634 IMSRDQGYBMOLIM-IBGZPJMESA-N 484.582 1.876 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722364918 JOJZABVSFPPENI-YLJYHZDGSA-N 476.672 1.992 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722368399 RAJWTDYDUCIFQB-SQNIBIBYSA-N 481.619 1.712 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1(C)C 1722396602 JSSHDMSEQQEJEY-ROUUACIJSA-N 465.645 1.606 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccnc2OCC(F)F)CC1 1722432649 BVLKMQIZTAZFOF-HSZRJFAPSA-N 476.528 1.773 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[C@]3(CCOC3)O2)CC1 1722441937 XASONMFICRAASZ-YADARESESA-N 472.590 1.110 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1722453141 OMZANSDFDUVMAE-MRXNPFEDSA-N 454.560 1.332 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)(C)C)CC1 1722460098 CBBAIOHLTVEQSX-GOSISDBHSA-N 484.692 1.288 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1722683153 BMJRNLMISXNPBE-NRFANRHFSA-N 488.658 1.766 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1722728744 XSWPKMSULSZJHW-WOJBJXKFSA-N 473.599 1.970 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1722738330 GKNUJYZLZQPFKD-HNNXBMFYSA-N 477.678 1.008 30 10 JDEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1)OC 1730471544 CABUHOAEDXVIDQ-DHJUGAMNSA-N 457.531 1.774 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccc(F)cc1 1740549717 GRNPUOVVSFRZFE-IPELMVKDSA-N 465.551 1.596 30 10 JDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC(=O)N(CCOC)C1 1740610891 OGAVQFQKXQLGEK-QZTJIDSGSA-N 476.578 1.151 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1740618213 FBVGJOHXOVUCDN-LJQANCHMSA-N 466.567 1.922 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@H](C(F)F)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740626985 DIQULTTUBNMQGR-RCCFBDPRSA-N 487.573 1.112 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1740686851 XNPLZDMSLDOXHB-SJORKVTESA-N 469.608 1.522 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(C)COCCO2)CC1 1740703341 OSMQCRFPGBQKEV-XMMPIXPASA-N 453.543 1.725 30 10 JDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740743687 BJKMZLUJWMVZBB-HOTGVXAUSA-N 454.369 1.908 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740764744 JKLRRPCHIAFJAN-HVTWWXFQSA-N 468.620 1.997 30 10 JDEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740885541 JBUOFIXHCNOESV-IBGZPJMESA-N 475.619 1.668 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](OC)C1 1740959035 JKUYJQIEAUAOFU-MRXNPFEDSA-N 451.531 1.592 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1740995837 ZHBMIZDYQKUGQZ-WIYYLYMNSA-N 450.536 1.967 30 10 JDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1748392442 HLNMXSMEWANHGQ-MRXNPFEDSA-N 462.576 1.624 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(Cl)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1748816406 ZSAGRHXLTBOXBV-DOTOQJQBSA-N 477.974 1.566 30 10 JDEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CC=CCC1 1748949701 IPCGRJYKUJROHL-UHFFFAOYSA-N 471.631 1.895 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCOC[C@H]2CCCO2)CC1 1749008508 ABJJNQYZKUDCLU-LJQANCHMSA-N 453.547 1.287 30 10 JDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1749330741 MCPREEUWVAIEQF-LJSVLAKTSA-N 456.547 1.859 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1749630605 SJMPUZPIDKSUOX-GOSISDBHSA-N 495.005 1.413 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1749665702 AAJOHIHPMRHIDH-UHFFFAOYSA-N 489.580 1.851 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)COC)C1 1749713529 UKAJTQNQDTUGPW-SJORKVTESA-N 457.597 1.065 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](COC)C1 1749755332 FTPPLXIDHZSJBK-ZWKOTPCHSA-N 473.665 1.783 30 10 JDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCCO[C@H](C)C1 1752401629 BURJEVABQFRRBT-UXHICEINSA-N 481.601 1.897 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCN(c2ccncc2)CC1 1760118179 ZJDNORMDKQLEHV-VQTJNVASSA-N 471.631 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30 10 JDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1286499435 RLIAXAPVUQQENO-GOSISDBHSA-N 479.628 1.844 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)NC)CC1 1286563034 IGRFPMPEKDFLTC-VQIMIIECSA-N 473.603 1.712 30 10 JDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1286680727 MFLZSMZUSCAJLV-SFHVURJKSA-N 452.625 1.978 30 10 JDEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)N1CCOCC1 1286765444 QCNWDAZRKWBPSF-UHFFFAOYSA-N 451.531 1.833 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1286784192 YDCLJMOCDWAECH-HXUWFJFHSA-N 495.584 1.983 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1286794044 UOARJAVUNZLSDB-HOCLYGCPSA-N 459.469 1.652 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CC)c2cccc(S(N)(=O)=O)c2)ccc1F 1296602455 IUDRAJBCUVBIFC-QGZVFWFLSA-N 455.533 1.819 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1300498007 FXVKDXLGUYISRB-INIZCTEOSA-N 473.509 1.667 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1300502953 ZIMOOWWPNFPAEM-RTWAWAEBSA-N 490.651 1.657 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1300506233 PZBITFVOCWSRQO-KRWDZBQOSA-N 452.481 1.240 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCN(C(C)=O)CC1 1300534797 FGFLJZVYLQVKPI-UHFFFAOYSA-N 460.586 1.783 30 10 JDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C(N)=O)cc1 1300619130 RJEDMZBAAANMJV-UHFFFAOYSA-N 451.556 1.845 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCOC2)CC1 1300718831 GJQAQYQFNIIQLC-KRWDZBQOSA-N 453.543 1.965 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(C)CC2)CC1 1300718936 ZQYKEWAYPOFJAB-UHFFFAOYSA-N 484.626 1.961 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1300934835 DZBKYFLVZPSWNM-QGZVFWFLSA-N 496.659 1.537 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1301500884 QJRIDMXNQLPJGS-WFXMLNOXSA-N 498.584 1.460 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)O[C@]3(CCOC3)C2)cc1 1301518613 LJQIXKJLTUAYOE-IEGUWTFLSA-N 491.614 1.886 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC(NS(C)(=O)=O)CC2)cc1 1301524675 DAJULQHJPGYGCP-GOSISDBHSA-N 461.588 1.913 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1301587412 ZHNBCJJXFYJGCO-LJQANCHMSA-N 486.598 1.101 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1301592889 GAEHUPGTLNEQRZ-NRFANRHFSA-N 498.602 1.612 30 10 JDEE CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)N(C)C)cc1OC 1313502411 BAHNBDXCIKPRLZ-KRWDZBQOSA-N 478.575 1.363 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCCOC2)c1 1358903287 QVRNESGLEMEGLD-LJQANCHMSA-N 450.543 1.883 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358961251 VFEVBFNRMZKNSU-PKOBYXMFSA-N 454.556 1.773 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1358965175 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C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](OCCOC)C1 1359300561 FRXGJJDSYIENDH-ROUUACIJSA-N 494.593 1.130 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1359303090 DBFJVDJATFCNCK-OAQYLSRUSA-N 482.585 1.202 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1359311847 JJOHLTJSJAJAST-XXBNENTESA-N 489.598 1.478 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1359336998 HUIQVBOCUUZIJN-HOCLYGCPSA-N 455.610 1.119 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1359343435 SWXOTITVYHZZPS-HZPDHXFCSA-N 453.634 1.594 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1359396982 QJCMUYIPWIXOAP-QURGRASLSA-N 499.959 1.705 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)c1 1444767984 KIOJLBWFLDZMFA-MRXNPFEDSA-N 452.558 1.576 30 10 JDEE CN(C)c1cccc(S(=O)(=O)N(C)C)c1NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1459801739 ANVMBZYPIQIUNN-INIZCTEOSA-N 455.540 1.866 30 10 JDEE CNS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)c1cc(Br)cc(C#N)c1)CC2 1475035502 AOSPNMJZBRPADG-UHFFFAOYSA-N 456.343 1.980 30 10 JDEE CO[C@@H]1COCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1504526955 HLASFDGTPRYRLA-SLFFLAALSA-N 459.572 1.740 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCS(C)(=O)=O 1507520486 OTXVCBOFXUPRMK-AWEZNQCLSA-N 452.606 1.439 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CC(=O)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507634803 NBFPRGAYRJPHBQ-HXUWFJFHSA-N 455.584 1.516 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507637049 GOFPIADFVFJRAF-VJANTYMQSA-N 466.604 1.444 30 10 JDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1507641646 IMFHKLFGYXRVRB-QHCPKHFHSA-N 471.583 1.348 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C1CC1)N(C)C 1507641957 NHWIDMOBTVALPP-LJQANCHMSA-N 453.616 1.960 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCS(C)(=O)=O 1507651027 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DXZFRFUDDPCYJY-VQTJNVASSA-N 482.651 1.268 30 10 JDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1507937769 YMCPPOMIOSBBOW-UHFFFAOYSA-N 451.553 1.023 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1508088559 BSFAHUKUWSIIDB-QRVBRYPASA-N 454.556 1.226 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508096920 CYRNNYWGEWFUSO-BDXSIMOUSA-N 487.605 1.313 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(OC)C2CC2)C1 1508125082 NKEAGFIJHUKPSY-OPYAIIAOSA-N 469.608 1.207 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2nccs2)C1 1508144020 MHLAYJGLXQVFCG-KRWDZBQOSA-N 460.585 1.899 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](SC)C1 1508144789 GYXHUBYHKXNOPC-HZPDHXFCSA-N 462.663 1.503 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539203275 OSONBGLILJUPEN-ZWKOTPCHSA-N 467.636 1.884 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1539206494 QESUBGVGKPKDGA-GCJKJVERSA-N 462.572 1.368 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1OC)[C@H]1CCS(=O)(=O)C1 1539222266 VAAJEOJZOBVPKA-YJBOKZPZSA-N 496.586 1.003 30 10 JDEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539497267 KXWQAYQUZWSSSD-DOTOQJQBSA-N 489.001 1.585 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C)CC1 1539631490 LEZYYFRDFPLISG-QRVBRYPASA-N 451.593 1.749 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1539684895 LQBRLJSROVMUMX-OAHLLOKOSA-N 486.595 1.114 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)Br)C1CC1 1540110059 YOQWHYQRRDJITL-LBPRGKRZSA-N 470.340 1.754 30 10 JDEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1540859578 PQQAQCZINZACRF-QGZVFWFLSA-N 458.950 1.585 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](COC)C1 1540865008 RKTPEXKMMDUWCH-QGZVFWFLSA-N 476.603 1.360 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCOCC2(CCC2)C1 1540897396 ICUXXFJAGZBFRV-UHFFFAOYSA-N 453.609 1.804 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC=C(C)CC1 1540898898 YFQCIYRVZXOPAC-UHFFFAOYSA-N 479.628 1.953 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCN1CCOCC1 1540900538 ZDTGRLGQVCRJMK-UHFFFAOYSA-N 477.587 1.086 30 10 JDEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1540919957 JOXNNWDJBOCNNA-MRXNPFEDSA-N 460.535 1.062 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCN2CCOCC2)[C@@H](C)C1 1540997270 CDVZBBLXFQNNBG-FQEVSTJZSA-N 481.601 1.898 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CCCCC1)N(C)C 1541115943 HIAOEIGTNLDTGZ-YZGWKJHDSA-N 481.667 1.717 30 10 JDEE COCCN(CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC(C)(C)C 1556075630 GRONXHPBRZWLSD-OAHLLOKOSA-N 454.549 1.225 30 10 JDEE C=C(C)CONC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1557330070 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1588891862 UUCGJXOWTSXQRY-VWLOTQADSA-N 466.586 1.922 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1588913262 FGDMSPGDEIXUHB-UHFFFAOYSA-N 497.600 1.543 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1595405554 QLKGDYUAVLYYBX-ROUUACIJSA-N 499.540 1.976 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(CC)(CC)C1 1595551631 SYXVFLGZZNBUTM-INIZCTEOSA-N 486.664 1.025 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1595765799 GUUQZSOJDMHTKR-CRAIPNDOSA-N 465.532 1.694 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1595788784 JNHHCOHUQARLGR-SFHVURJKSA-N 494.017 1.971 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCc2ccn(C)n2)c1 1617705680 DFASZSMYRFYFAB-UHFFFAOYSA-N 468.587 1.912 30 10 JDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCc2cccs2)CC1 1620176280 ARDCXMNWQGERAW-UHFFFAOYSA-N 485.639 1.792 30 10 JDEE 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C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)c(F)c1 1690077312 MLSYAMNFYCLGCU-LJQANCHMSA-N 464.567 1.324 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1690170756 PMJVYRHNYKYVJW-INIZCTEOSA-N 456.576 1.111 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NCCC)C1 1690237227 WQZSXLQPLUFZNY-RDGPPVDQSA-N 482.651 1.612 30 10 JDEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1690284503 DTOVAZUDWKOMOQ-UHFFFAOYSA-N 471.587 1.723 30 10 JDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1690294558 MRKOFXKBBPKIDZ-UHFFFAOYSA-N 499.641 1.786 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690660414 GYFZYTPRZWMNRO-MSOLQXFVSA-N 461.588 1.960 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCOC2(CCOCC2)C1 1690665611 JWGCBBRDCCHQME-UHFFFAOYSA-N 457.531 1.650 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1690668303 ZIIBNDFEUJZKQC-QGZVFWFLSA-N 450.499 1.713 30 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CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862602683 IBXRHUHJIBYVCI-HXUWFJFHSA-N 483.433 1.786 30 10 JDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2nc(C)c(C(=O)OC)s2)cn1CCCO 1870586105 OASCUWIZAHTCEJ-UHFFFAOYSA-N 490.582 1.974 30 10 JDEE C=CCn1c(C(=O)NCCCN2CCOCC2)cc2c(N3CCN(c4ccccn4)CC3)ncnc21 1873594349 RNSQBUAKWFXVKP-UHFFFAOYSA-N 490.612 1.791 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2255635429 ZFSGHYFOXRIHFJ-FQEVSTJZSA-N 453.370 1.544 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC[C@@H]2CNC(=O)OC(C)(C)C)n1 2255931317 JDZRFWZOIWWAMN-CYBMUJFWSA-N 456.374 1.007 30 10 JDEE CC(C)(C)OC(=O)NCCc1nc(=NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)[nH][nH]1 2267006428 UBJZPYOWJWQBDH-UHFFFAOYSA-N 464.357 1.302 30 10 JDEE COC[C@@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCCN1C(=O)OC(C)(C)C 2268634580 YSYPXASKKFTNEB-HXUWFJFHSA-N 468.385 1.614 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268648099 WAPYBDVNLPVJII-HIFRSBDPSA-N 467.397 1.819 30 10 JDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCC(NC(=O)C(F)(F)F)CC2)OC1(C)C 2270596443 BXXXQGUMIUAODC-UHFFFAOYSA-N 483.343 1.415 30 10 JDEE C[C@@H](NC(=O)OC(C)(C)C)c1nc(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)n[nH]1 2281966214 HQUDYCMBDKANCZ-LLVKDONJSA-N 461.332 1.675 30 10 JDEE Cn1nc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282058475 VCXVOMODAWTSKF-CHWSQXEVSA-N 484.790 1.330 30 10 JDEE COC1(CCNC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN(C(=O)OCc2ccccc2)C1 2282062004 RVVBLTFIZMMFGH-UHFFFAOYSA-N 498.389 1.877 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@H](CO)C1 2282535473 OKGLTXJHHARILS-HNNXBMFYSA-N 465.331 1.574 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@]2(CCOC2)C1 2282579187 BAGVOVVRITYPOZ-PEBXRYMYSA-N 462.356 1.607 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](NC(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2282673704 ZYKQMXFFAWYGBN-SQNIBIBYSA-N 459.352 1.745 30 10 JDEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C[C@H]1CNC(=O)OC(C)(C)C 2282851347 AKYJDIXHLBUEPQ-LSDHHAIUSA-N 484.428 1.501 30 10 JDEE Cc1nc(NC(=O)[C@@H](C)N2CC(NC(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2284053866 USLMODRPIDEQNT-CQSZACIVSA-N 461.372 1.620 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2284127229 WLXQZFCBMQFJRW-HNNXBMFYSA-N 481.380 1.353 30 10 JDEE C[C@H](C(=O)N[C@@H]1CCNC[C@H]1C(=O)C=Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 2328155762 MLZUOQMFPVDHIY-IPHXSNPTSA-N 476.489 1.956 30 10 JDEE CO[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2365424080 LSPPKTCXQGAFJV-OAHLLOKOSA-N 488.387 1.943 30 10 JDEE C=CCNC(=O)CN1CCN(C(=S)Nc2cc(S(=O)(=O)N(CC)CC)ccc2C)CC1 17455073 MGVXFNNJUVDJPQ-UHFFFAOYSA-N 467.661 1.642 30 10 JDEE CCc1cccc(-n2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccccc3)c2=O)c1 609405783 DBOPACCUZJJIBC-UHFFFAOYSA-N 488.613 1.413 30 10 JDEE CCOCCn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@H]2C)sc(=Cc2cnn3ccccc23)c1=O 729668624 BFURGZJGPNSBNW-XLIONFOSSA-N 479.606 1.792 30 10 JDEE C=CCCn1cc(C(=O)N2CCC(N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)CC2)nn1 1131372713 APYUEHDBBAPJAM-MSOLQXFVSA-N 460.535 1.899 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)c1 1137523200 QSTYGJZHQLAXLR-QGZVFWFLSA-N 457.552 1.872 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1286349825 PKGDJRVELZYWTR-SFHVURJKSA-N 457.604 1.834 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1286392669 JEMRAJUNEYWKFP-GJZGRUSLSA-N 454.503 1.786 30 10 JDEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1286462533 LHDHAWRENIHYSB-UHFFFAOYSA-N 457.556 1.452 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)CN2CCOCC2)CC1 1286473682 QQBZUCMVYZBFKH-IBGZPJMESA-N 453.547 1.577 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286566697 SUXARRKLPLNWRE-DWLFOUALSA-N 455.559 1.832 30 10 JDEE C=CCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286771254 FOBQPKNBZZOPMO-QGZVFWFLSA-N 454.531 1.466 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1286776242 LNHVPOIOBAGTSH-NQIIRXRSSA-N 482.006 1.634 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1286781687 XIFNIKRBVUFNBV-JOCHJYFZSA-N 487.948 1.195 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1286789452 DREAZANHVQMLIU-UHFFFAOYSA-N 453.547 1.394 30 10 JDEE C#CCN1CCCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(OCC)cc2)CC1 1293713148 QNFWUBHVUCYXJE-FQEVSTJZSA-N 453.630 1.653 30 10 JDEE CNS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1299313217 CUTWFJBNKMCGNW-HXUWFJFHSA-N 467.555 1.263 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)c(F)c1F 1300310605 NWKGXZKNJRIQQD-CZUORRHYSA-N 471.505 1.729 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1300481607 AULLTCOZDROIAP-NVXWUHKLSA-N 487.561 1.853 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@]1(O)CCS(=O)(=O)C1 1300657635 ZIRNZQJETWNAKX-KSFYIVLOSA-N 478.640 1.767 30 10 JDEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1300833927 GIGHDGWEPXBRDM-CQSZACIVSA-N 472.351 1.921 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1301223082 MMMPCAWKLUJKFX-QUCCMNQESA-N 496.678 1.954 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(C(N)=O)CCOCC1 1301337571 IOGOHZZCDXQJCY-LJQANCHMSA-N 468.558 1.713 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1301509021 ZKFDYQHGCNVNCC-RUZDIDTESA-N 468.602 1.675 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCn2cc(Br)cn2)C1 1301538420 HOAZFCWGZMZZQL-ZFWWWQNUSA-N 488.412 1.329 30 10 JDEE COCCN1C[C@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(C#N)cc2)CC1=O 1301855124 CTWMVIZLFXJYSQ-HXUWFJFHSA-N 465.558 1.517 30 10 JDEE CC(C)CCN1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1303089611 DCUWRUFJNLSVSU-HKUYNNGSSA-N 467.640 1.375 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 1312618039 WVPRUVWCUPIROG-APWZRJJASA-N 450.561 1.675 30 10 JDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)C(C)(C)C)CC1 1315000582 DKCHMKNHOBLXIT-UHFFFAOYSA-N 458.588 1.992 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCN2CCOC[C@@H]2C)c1 1358903157 MUWYKCKPJFUQGT-IBGZPJMESA-N 479.585 1.177 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1358960749 KXDVSXSGQUDEBQ-XBMUEBEBSA-N 458.588 1.957 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1358961343 WVKRBYRKIWJBFX-RDTXWAMCSA-N 457.560 1.714 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358964820 HYAJCPUCOMSITR-PZJWPPBQSA-N 487.626 1.225 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CCN1CCCS1(=O)=O 1358972721 QEPSVLKFYHWPMK-UHFFFAOYSA-N 468.402 1.877 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)N(C)C 1359014689 STRWKHRPNZNUIO-INIZCTEOSA-N 454.597 1.701 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(C)C)C1 1359298918 PJLSNHOXLJWLBG-GOSISDBHSA-N 451.531 1.355 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(C)C)C1 1359298919 PJLSNHOXLJWLBG-SFHVURJKSA-N 451.531 1.355 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1359303649 WJCVQESUXBTQEM-GOSISDBHSA-N 471.606 1.178 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1359304470 YTHXEVOTXTVSJH-HXUWFJFHSA-N 462.514 1.133 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1359327644 HBPKLASGDGUOEX-ZDUSSCGKSA-N 485.408 1.314 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2nc(C)no2)CC1 1502426381 AHJFYFKMFVGLOL-UHFFFAOYSA-N 463.546 1.399 30 10 JDEE CN1CCCC(C)(C)[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1503679349 CUOLVLHAUFYJFD-PMACEKPBSA-N 493.678 1.861 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccc(F)c1)N(C)C 1507538991 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C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1508143931 LKHFNPGCKOIMNX-FQEVSTJZSA-N 482.614 1.760 30 10 JDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1508149884 YAMNTNAHMHYUST-INIZCTEOSA-N 457.597 1.861 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2N(C)C)C1 1508152209 JRPAEEYINPAXAJ-OAHLLOKOSA-N 465.649 1.831 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1539205064 FWGXZOFECKXIIP-ZDUSSCGKSA-N 492.346 1.944 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OC(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1539216393 RDCZXKTVGKWAFS-GOSISDBHSA-N 467.555 1.592 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(=O)NCC)c1)[C@H]1CCS(=O)(=O)C1 1539216534 UQGVRHGNMXGYMY-FQEVSTJZSA-N 481.582 1.103 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)c2nc(C)cs2)CC1 1539466743 FNCLMJQJENTYNV-HNNXBMFYSA-N 457.604 1.951 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N2CCCCCC2)nc1 1541678515 BWRCZKLYAXJTME-IBGZPJMESA-N 452.563 1.969 30 10 JDEE 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1.348 30 10 JDEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1689898067 QOAQFIIMTXRFBT-UHFFFAOYSA-N 480.548 1.278 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(OC)c1)N(C)C 1690019727 QFMHGBOQFVDADE-PZJWPPBQSA-N 455.584 1.565 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1690058852 CMMVCNOJOFUVCA-ZWKOTPCHSA-N 464.592 1.323 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCn2cc(Br)cn2)CC1 1690134883 JBCBPXVSPPZPSJ-HKUYNNGSSA-N 492.422 1.807 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2OCCOC)CC1 1690144159 NTLBDRHKRLYJAW-HXUWFJFHSA-N 480.569 1.269 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690238713 MUIUKTHVKFJRHE-MIVVTYSHSA-N 490.605 1.798 30 10 JDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1690288255 OXLMDTSMSTWZLX-QGZVFWFLSA-N 476.578 1.656 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@@H]1C 1690624643 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C#CCN(c1nnc(Cc2ccccn2)n1CCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286393363 KMZGTZGXKLCCMO-IBGZPJMESA-N 488.614 1.758 30 10 JDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCN2CCCS2(=O)=O)CC1 1286485192 FJCLDEGRPXMEGV-UHFFFAOYSA-N 490.655 1.370 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CCS(C)(=O)=O)CC1 1286492952 CBJMPSAOHITDRA-UHFFFAOYSA-N 457.600 1.464 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(C)(C)C(=O)NCC)CC1 1286494857 UPDGIVQPGVAOCV-UHFFFAOYSA-N 490.612 1.645 30 10 JDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1286769183 WHBDXPPARIYMQC-HOTGVXAUSA-N 454.622 1.646 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1286779535 JEPWCKVMCDERMY-IAGOWNOFSA-N 466.583 1.750 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccnc(SC)c2)C1 1286801163 WWBVPJWAPJDALY-ZBFHGGJFSA-N 452.606 1.835 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1286815627 BYSLCLBLXAQTQX-KRWDZBQOSA-N 485.632 1.555 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286822929 PHLUOQGYPWHGCQ-SFHVURJKSA-N 477.612 1.505 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(CC4CCCC4)n3CCS(=O)(=O)N(C)C)CC2)c1C#N 1290576751 HPEZVGGFXLRNNI-UHFFFAOYSA-N 489.650 1.142 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC(=O)NCc2ccco2)c1 1300336881 PRBIEFNZGQFUAQ-UHFFFAOYSA-N 489.536 1.366 30 10 JDEE C#CCN(c1nnc(-c2ccc(Br)s2)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1300484039 QMKUHDGYHUEIIE-ZDUSSCGKSA-N 496.416 1.688 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1300494168 ZJWVRSOZNUGOHX-INIZCTEOSA-N 462.601 1.274 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(COCC)cc1)[C@@H]1CCS(=O)(=O)C1 1300495168 DYDUVFVATZAKJU-NHCUHLMSSA-N 458.584 1.994 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)OC(C)(C)C 1300528545 YOZLWROTVYSBQD-UHFFFAOYSA-N 461.526 1.790 30 10 JDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCN(C)S(=O)(=O)CC)CC1 1300698157 OTRIECFQJZDWOA-UHFFFAOYSA-N 498.613 1.021 30 10 JDEE 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30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCS(=O)(=O)C1 1359021391 NFNCLNUGDRCEIU-KRWDZBQOSA-N 462.572 1.873 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(C(N)=O)CCOCC2)CC1 1359042025 OVQNGWIBIXSPIT-UHFFFAOYSA-N 484.988 1.846 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359058295 YQQUGAULOIKWCX-UZUQRXQVSA-N 490.630 1.812 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1359287871 ZXOIEBAWGJZWPT-PKOBYXMFSA-N 476.603 1.453 30 10 JDEE C#CC[C@@]1(C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CCCN1C(=O)OC(C)(C)C 1466865317 NKYKSDQWABOFRK-FQEVSTJZSA-N 451.549 1.036 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(CS(C)(=O)=O)CC1 1507540515 ZTGOPJBCRSXDPZ-SJORKVTESA-N 481.619 1.869 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1507562867 AMPFJKVMLIFLAP-LJQANCHMSA-N 476.559 1.959 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507622187 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C=CC1CCN(c2nnc([C@H]3CCCOC3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1507904893 USMRNNUCCISCTB-KRWDZBQOSA-N 450.565 1.682 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1508093613 JBNNZQFFHPNGQT-HSZRJFAPSA-N 458.538 1.599 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(c3cnn(CC)c3)CC2)nnc1[C@]1(OCC)CCOC1 1508098676 QIOHGAYZJWMNTK-QHCPKHFHSA-N 457.579 1.833 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1508132531 ZEAITDGLIDPQPP-UHFFFAOYSA-N 498.650 1.854 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1508142353 BYQNMNPRZHIINP-VQTJNVASSA-N 457.600 1.769 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1508145998 STZFRPHBXLGNAP-VQTJNVASSA-N 457.556 1.832 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H](c1ccccc1)N1CCOCC1 1510173462 HTDZOSWWFBXQTF-WIYYLYMNSA-N 487.630 1.702 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CC1(O)CCOCC1 1519151087 HWJQVZYUHOVQKG-UHFFFAOYSA-N 468.558 1.467 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cn(C2COC2)nn1 1539037283 DEGMSCRGDQFSPF-HRCADAONSA-N 456.551 1.718 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1539203264 OQBPPMCULAPISZ-VQTJNVASSA-N 499.641 1.673 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCCC(=O)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1539215557 FJNIPZZXVCVAGJ-QGZVFWFLSA-N 459.576 1.010 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(COC)c1 1539265677 JBWZUKMFVCSQKE-HXUWFJFHSA-N 475.546 1.018 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1539445746 DKFHPKVSYWTEEM-UHFFFAOYSA-N 458.448 1.875 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCCO2)CC1 1539452038 JHWGQFKUMBMMTG-RTBURBONSA-N 460.579 1.521 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CC1 1539459638 MKDPNLDVCJZILQ-UHFFFAOYSA-N 463.586 1.331 30 10 JDEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(C(N)=O)CCOCC2)CC1 1539898575 VPOGDWJHSAEIOY-UHFFFAOYSA-N 458.588 1.954 30 10 JDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1539900765 SZJKNNWZHOCWEV-UHFFFAOYSA-N 452.625 1.977 30 10 JDEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1539985126 GCAYCNOMXZWSBW-UHFFFAOYSA-N 463.542 1.290 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cc(F)c(F)c1F 1540074349 YAKHBOBYRMJJQE-CQSZACIVSA-N 463.457 1.838 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)CC 1540137934 WWVLTEZCQSWRCO-QGZVFWFLSA-N 470.592 1.947 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1540865644 NDYAAPRTAWOKAM-UHFFFAOYSA-N 483.617 1.966 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1540905788 WBBSMQNPLHRKEV-GOSISDBHSA-N 469.608 1.688 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC[C@H]1CO 1541801673 ANOXTAPVJJJKQH-QMMLZNLJSA-N 451.575 1.973 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H](C)N1CCOCC1 1541909332 BQAVPJFOGXLWLU-IAGOWNOFSA-N 461.592 1.117 30 10 JDEE C#CC[C@]1(C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1544446561 YRUGSQRWFJEMNJ-CXAGYDPISA-N 455.499 1.718 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1552378632 CSDPOVIWPSERIO-LSDHHAIUSA-N 468.605 1.014 30 10 JDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1587754738 KVURULHOEPUYMQ-GOSISDBHSA-N 459.576 1.169 30 10 JDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1587857109 VXDLOHJTWRMXPH-BRSBDYLESA-N 479.603 1.322 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccsc1)N(CC)CC 1587990309 VHQXGQKEMINVEE-RBUKOAKNSA-N 480.660 1.825 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H](N1CCOCC1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1588028914 APQFCFSLOAPPJH-IKGGRYGDSA-N 477.553 1.681 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1588045769 QHJSKVICCFJDLI-MRXNPFEDSA-N 470.555 1.769 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 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1690123976 BMLAHTGEMNLYTH-UHFFFAOYSA-N 451.623 1.548 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCNC(=O)c2ccco2)CC1 1690133611 NLMRCHNRPMYHRZ-UHFFFAOYSA-N 452.490 1.774 30 10 JDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1690167094 BWFWLJPTNGKDII-IBGZPJMESA-N 476.628 1.337 30 10 JDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1690626002 NGGLZZXLVIZYSV-UHFFFAOYSA-N 470.603 1.774 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1690724221 KPAFFIVBSCSBAL-IBGZPJMESA-N 478.619 1.700 30 10 JDEE CN(C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)CCCC1 1696605175 HBMGRTYOIUJNQB-LJQANCHMSA-N 479.651 1.615 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1696622947 HFNZPLLHNINPJI-HNNXBMFYSA-N 458.466 1.476 30 10 JDEE CN1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)CC1(C)C 1696883676 HWXWSAVFUORJIL-UHFFFAOYSA-N 494.644 1.847 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1705558932 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471.583 1.663 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1C(F)(F)F 1740610637 HGEAQBSLEQKCTL-KRWDZBQOSA-N 471.505 1.942 30 10 JDEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1740618120 CKGDRVDIMDZJJX-INIZCTEOSA-N 490.387 1.511 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCNC(C)=O 1740646730 IZESFIQWIKLWMT-UHFFFAOYSA-N 455.588 1.536 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C2CC2)N(C)C)CC1 1740701111 UWNKDWVINDRRBV-IBGZPJMESA-N 464.574 1.231 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCNC(=O)c2ccc(C)cc2)CC1 1740707141 QOQIKVVNOXBYKX-UHFFFAOYSA-N 485.592 1.968 30 10 JDEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCS(=O)CC1 1740712055 VPKIIPCBRATHGC-UHFFFAOYSA-N 450.586 1.906 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1cnc(C)s1 1740953944 WQCMNFVBFYCIDE-UHFFFAOYSA-N 489.627 1.899 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1740991239 RNHMHPKDNHBFNB-BBWFWOEESA-N 496.634 1.570 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1740994152 JLBMMUVBDNVLSD-RXVVDRJESA-N 464.592 1.125 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC(=O)NCc2ccco2)c1 1748692868 QOXFRUOJWLTEEH-UHFFFAOYSA-N 470.493 1.701 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1748811105 BTCJDZFDLSSPTG-INIZCTEOSA-N 457.585 1.678 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCC(=O)NCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748816947 BJODAOMGKUBGBJ-NHCUHLMSSA-N 485.610 1.505 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCS(=O)(=O)CC=C)[C@H]1CCS(=O)(=O)C1 1748818630 CRDINMVJLQIRHN-FQEVSTJZSA-N 476.624 1.405 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCN1CCOCC1(C)C)[C@H]1CCS(=O)(=O)C1 1748818715 DXRTVTQRLCIRAO-QFIPXVFZSA-N 485.654 1.915 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(OC(F)F)c1 1748930096 XNRJVLPBLORISE-SFHVURJKSA-N 499.540 1.729 30 10 JDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1749037890 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C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OCCOC)cc1)[C@H]1CCS(=O)(=O)C1 1286389464 KKAFJWHKLORVIF-FQEVSTJZSA-N 484.582 1.379 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOc1ncccc1Cl)[C@@H]1CCS(=O)(=O)C1 1286390503 AKYAKYJMXXFFOS-DLBZAZTESA-N 479.990 1.926 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1286394116 GVLXTKIDOOFIGW-WMZOPIPTSA-N 496.586 1.058 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(S(N)(=O)=O)cc1 1286426174 MNENALHOZWVRER-UHFFFAOYSA-N 480.550 1.359 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CCC[C@H]2C)n1 1286471613 OUKPSEFWOWHAHG-FHJLPGHOSA-N 455.563 1.263 30 10 JDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCN(C(C)=O)CC2)CC1 1286478667 IUVIDMBYWXOFLQ-UHFFFAOYSA-N 471.556 1.066 30 10 JDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1286606254 KVNVJOLLSNVGQS-KRWDZBQOSA-N 453.503 1.138 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cn2cccn2)c1 1286727505 RRNVJYRTVPMNIC-HXUWFJFHSA-N 471.587 1.526 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C(C)C)N1CCCC1)C1CC1 1286738352 TYDSPFYLKXVMCN-PMACEKPBSA-N 466.652 1.886 30 10 JDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1286768919 CXVSSSJHYPSOQD-KRWDZBQOSA-N 460.604 1.916 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](CN2CCCCC2)C1 1286790324 MSJVWEDTNBHXPX-GOSISDBHSA-N 471.631 1.884 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286818209 UNDXSSHWQMKTHH-ROUUACIJSA-N 452.625 1.975 30 10 JDEE COc1cc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc(Cl)c1OCC(N)=O 1297333369 DOBHHQUXLSFVMS-QGZVFWFLSA-N 456.886 1.615 30 10 JDEE CN(C)S(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(C#N)C1 1298096773 HKMUDVUUIKMSSU-OAQYLSRUSA-N 494.021 1.883 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1300304986 RJLNWEUXIXQWND-FUHWJXTLSA-N 455.563 1.406 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 1300481978 CZVUTYLEMRANLV-AVRDEDQJSA-N 480.537 1.883 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@](C)(O)CCOC)CC1 1300685166 IGXXMQBPVJUVIE-IBGZPJMESA-N 451.369 1.578 30 10 JDEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NCCOC)CC1 1300834870 XWICQINPJDAVRE-UHFFFAOYSA-N 488.390 1.610 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1300848821 IZTQFIJBLZSOEK-LRDDRELGSA-N 460.354 1.120 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1301483667 SWKIHWSEHHMFLN-OAHLLOKOSA-N 476.379 1.929 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1301499869 GKLYHSTXJJUPJW-CNNODRBYSA-N 470.622 1.727 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](NC(=O)C(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301517814 CFYUDCYSNGKJET-MHECFPHRSA-N 476.622 1.752 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1301534593 CFJJXJYKMUDPNP-RBUKOAKNSA-N 453.547 1.965 30 10 JDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1301624145 SLYGKYZKCVDMOM-ZWOKBUDYSA-N 456.634 1.936 30 10 JDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)NC2CC2)CC1 1315753736 BFFAPHDHGWDXAK-UHFFFAOYSA-N 465.558 1.607 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1358965449 VKMCUKCTRJDGJS-QGZVFWFLSA-N 463.629 1.719 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(C)COCCO2)CC1 1359028326 ODEMPGDGQDKVDI-XMMPIXPASA-N 452.559 1.708 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1359037683 SRGVYBHMTAPNSF-UHFFFAOYSA-N 450.568 1.471 30 10 JDEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(C)(C)C(=O)NC)CC1 1359038234 OHXPUWKEWKOMOT-UHFFFAOYSA-N 492.672 1.170 30 10 JDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccccc1 1359137870 DDISRDAZQWXNSH-IRXDYDNUSA-N 482.632 1.072 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1359284528 VJIRNJUMWBANDL-QGZVFWFLSA-N 458.588 1.876 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 1359287869 ZXOIEBAWGJZWPT-IEBWSBKVSA-N 476.603 1.453 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1359297285 LINHJRMSFDZPHM-UHFFFAOYSA-N 498.975 1.958 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(CNS(C)(=O)=O)CC1 1359330618 XMOGVULXSASUJR-UHFFFAOYSA-N 485.607 1.451 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1359331116 NTPLMJGNDXZIFM-GOSISDBHSA-N 476.525 1.809 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1359336270 KFBMPMQRSFJPFD-UHFFFAOYSA-N 472.619 1.867 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCCCC1 1359473653 FZSYLMJMXDVLLA-ZWKOTPCHSA-N 467.640 1.471 30 10 JDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 1465059846 ZCYZCVAMIVJZFM-GOSISDBHSA-N 453.586 1.761 30 10 JDEE CCN1CCN(C[C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)=O)CC2)CC1 1502345803 FSONTMIBCNYIEL-OAQYLSRUSA-N 494.644 1.671 30 10 JDEE CCNC(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](COC)C2)CCC1 1502407111 BDJJYDHQVIFVOV-HXUWFJFHSA-N 468.558 1.887 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC[C@H](C(F)F)N1CCOCC1 1507533326 MAJQYCQGZCJLKC-GDBMZVCRSA-N 450.490 1.820 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1cccc(OC)c1 1507535036 WYDCCXPLZHYHSS-HNNXBMFYSA-N 450.499 1.902 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC2(CCCCC2)O1 1507539521 WFSHEWWZDKMAIT-IPMKNSEASA-N 465.620 1.951 30 10 JDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1507617820 BWGMAHWVDPBLTJ-UHFFFAOYSA-N 469.571 1.594 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1c(CC)nn(C)c1OC)[C@@H]1CCS(=O)(=O)C1 1507631451 PSZMXBXPQOWZAR-QGZVFWFLSA-N 469.571 1.320 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1507642359 JEJRQDMHMLNOBN-JKSUJKDBSA-N 452.581 1.217 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCCC[C@H]2CC)CC1 1507740322 LMPPFBPWWLTCOP-OAQYLSRUSA-N 469.634 1.631 30 10 JDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1507756163 KRQOCOWYZLENMN-SFHVURJKSA-N 453.616 1.419 30 10 JDEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCCS1(=O)=O 1508039124 YEVBPIDYWBRQOG-LJQANCHMSA-N 482.628 1.955 30 10 JDEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1508050238 UBATWYKMDQAHJC-UHFFFAOYSA-N 477.338 1.960 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1508094614 HOYFJIQGEWDLHW-INIZCTEOSA-N 471.587 1.123 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1508141000 KTBORMONXUCYPR-ROUUACIJSA-N 450.609 1.142 30 10 JDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCN(C(C)=O)C2)cc1OC 1518165800 FUZMAPPPEALZLH-IEBWSBKVSA-N 454.531 1.950 30 10 JDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1529533282 AYRNTSSBAXMUIG-LPHOPBHVSA-N 469.991 1.660 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1539200760 NTRNXGNYUMFEET-LJQANCHMSA-N 459.547 1.523 30 10 JDEE C#CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1539205684 JGDZFHPSTNWTNO-MRXNPFEDSA-N 497.046 1.926 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1539210858 HDFLEYRCMUHGKS-APWZRJJASA-N 471.583 1.495 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(OC)cc1F)[C@H]1CCS(=O)(=O)C1 1539219778 FGEZCJWKKDMLLE-ROUUACIJSA-N 462.547 1.995 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1539220833 VLBACCMIMWFACJ-IBGZPJMESA-N 476.624 1.381 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1539462022 ARFZGHKLIIMMQR-TUNNFDKTSA-N 472.634 1.447 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CC1 1539469949 HZUKUYQJERGANU-HSZRJFAPSA-N 475.597 1.629 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ncn(C)n2)CC1 1539469995 WZDQUCJJJYBMEW-INIZCTEOSA-N 466.521 1.700 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@]2(C)COCCO2)CC1 1539482509 MHKIDMKTCSFAOY-RUZDIDTESA-N 451.571 1.949 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCC2)C1 1539517246 KQDCYRZDLULDJC-KRWDZBQOSA-N 469.633 1.127 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1539601289 YSHYWBDQFBEPAC-QWHCGFSZSA-N 462.370 1.366 30 10 JDEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1CC1(O)CCS(=O)(=O)CC1 1539676817 VIYYSUNPJVGOQB-UHFFFAOYSA-N 467.617 1.612 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1539729365 IEFZDUYGOXPQNG-QZTJIDSGSA-N 454.641 1.792 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1540864543 DATKQKCREHUTOB-SFHVURJKSA-N 478.557 1.654 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1540880913 TXQBZMZSBHVTHI-LJQANCHMSA-N 488.614 1.750 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1540916436 BHDNIOPFBLJZHV-SQGPQFPESA-N 456.634 1.874 30 10 JDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CCCN1CCN(c2ccncc2)CC1 1541103630 CZGNLVXOPPBHIQ-LJQANCHMSA-N 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C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1760560505 XHKGBYSDGUNBFL-HNNXBMFYSA-N 474.653 1.865 30 10 JDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)C1 1770315467 DXFFRDWDDLNBQA-KRWDZBQOSA-N 463.585 1.407 30 10 JDEE C=CCN(CC=C)C(=O)[C@H]1CSCN1C(=O)[C@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1862177563 FFCTYEVOUFLULB-QFBILLFUSA-N 457.552 1.928 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H](O)C1 2197486827 FWBAVWZHFJUKJT-UZUQRXQVSA-N 462.352 1.657 30 10 JDEE C=CCC1(C(=O)NC[C@@H]2[C@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2218601514 YVPUGYGOHLWMIR-PMPSAXMXSA-N 455.552 1.257 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2255803885 VXCILZFGFWUIQW-CHWSQXEVSA-N 453.370 1.542 30 10 JDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1(C(=O)O)CN(C(=O)OC(C)(C)C)C1 2267006197 RRTNQTNXVONJNO-UHFFFAOYSA-N 450.297 1.691 30 10 JDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 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484.428 1.658 30 10 JDEE CC(C)(C)OC(=O)NCCO[C@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282672483 JXCAQLCVUPSDAY-HNNXBMFYSA-N 462.356 1.532 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 2282700889 SWWRXJBNFKLXCH-SHTZXODSSA-N 463.388 1.928 30 10 JDEE Cc1nc(S(=O)(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282870833 YBWXHRCAJDESKY-UHFFFAOYSA-N 486.444 1.952 30 10 JDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283955804 GRKDZZNVDRCZNW-AWEZNQCLSA-N 464.303 1.194 30 10 JDEE CCOc1cc(C=Nn2c(S)nnc(CCC(=O)O)c2=O)cc(Br)c1OC 2323028694 YIYCCCUUPAJCAD-UHFFFAOYSA-N 457.306 1.996 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(NC(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2334263459 KOQSONPQXVFUTR-HKZYLEAXSA-N 465.381 1.997 30 10 JDEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337296028 GTDIHCYNOJALBJ-KGLIPLIRSA-N 466.413 1.800 30 10 JDEE COCCSc1nnc(NC(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)s1 20914994 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JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(CCOC)CC2)CC1 1286473032 GYKZYKWRFCCJNP-UHFFFAOYSA-N 486.642 1.767 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC2CCN(CCN(C)C)CC2)CC1 1286482495 SYGNMFPAPMSUAN-UHFFFAOYSA-N 479.673 1.906 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC2(C1)OCCO2 1286581639 MNZZBPIAIDUULB-ROUUACIJSA-N 469.608 1.557 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCN(C)C2)c1 1300331532 MKEDYYUPMZJTFX-RUZDIDTESA-N 488.552 1.048 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)N2CCC(C)CC2)CC1 1300728936 KPRXZANHAKYGCW-FQEVSTJZSA-N 469.634 1.487 30 10 JDEE C=C(C)Cn1c(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@]1(OCC)CCOC1 1300965252 IRMRUYYJURQWSH-LEEZEASISA-N 460.623 1.885 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1301222747 FBENRVTVGFZULY-QZTJIDSGSA-N 462.576 1.630 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1301491134 DWWFKUWLLUCYRI-PGRDOPGGSA-N 476.585 1.108 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1301497522 YJJKPWMFAQXYBQ-UHFFFAOYSA-N 478.557 1.342 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1301499798 GGQSXCAGGBQSFW-OAHLLOKOSA-N 476.940 1.839 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ncc(Cl)n1C 1358913010 CYLIMXGLAFRVLD-OAHLLOKOSA-N 469.999 1.438 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1358913334 LLHXJCAPHMMDIX-GOSISDBHSA-N 496.634 1.472 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358960385 DAHWHWHKYVMGBQ-QGZVFWFLSA-N 491.618 1.609 30 10 JDEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1358964426 YZHPGJQPRXAOFA-MOPGFXCFSA-N 491.593 1.063 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)CCOC 1358979712 UZPISTCYDPUAJA-WZONZLPQSA-N 461.563 1.447 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCC(=O)N2CCOCC2)CC1 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JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1539215592 GJFMGUZKVPBTTQ-HNNXBMFYSA-N 456.528 1.257 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1539229621 FLWZRXDQRDQGND-PSTIOWGYSA-N 490.651 1.828 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(=O)NCCC)CC1 1539446629 HKRMGKLOFKPTQU-IBGZPJMESA-N 473.622 1.674 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)Nc2ccccc2)CC1 1539477566 RAXWMYUQTZWSJO-IBGZPJMESA-N 463.542 1.224 30 10 JDEE C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539526472 PDNVWXFBCGAXFJ-IBGZPJMESA-N 496.637 1.802 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1539644080 NWLBPCPINZYYSC-ZWOKBUDYSA-N 451.593 1.395 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)(F)C1 1539751799 UYRFIRSUVODKLY-MRXNPFEDSA-N 463.551 1.685 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2noc(C)n2)CC1 1539981267 FECIXABGHBCZJZ-HNNXBMFYSA-N 452.585 1.258 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCC(OC)CC1)C1CC1 1540110094 ZPBCUHYDFXJAIZ-FQEVSTJZSA-N 496.678 1.655 30 10 JDEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCS(=O)(=O)C1 1540853037 JBVFKTOHGDAHDU-SFHVURJKSA-N 458.588 1.980 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1540900100 LCISHOARGKGRQF-UHFFFAOYSA-N 483.598 1.980 30 10 JDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1554381685 GJXPSGAHKKPKJD-SJLPKXTDSA-N 453.547 1.130 30 10 JDEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1554539175 DIACKBDBVFAHNB-QMHKHESXSA-N 455.515 1.658 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C/C=C\c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588025004 QZMXFZLXBAVDRE-WUQYLLKWSA-N 453.568 1.854 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1588034361 DTTRGKFVTKSRMI-RCCFBDPRSA-N 456.634 1.772 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(COC)c1)[C@H]1CCS(=O)(=O)C1 1588034824 MDAZVIKIMNSKGR-XUZZJYLKSA-N 488.610 1.752 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588045062 GLUDUKUMZPRAJL-LJQANCHMSA-N 468.583 1.748 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1588058898 FFEKYYPEBQXJBQ-FQEVSTJZSA-N 455.584 1.330 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(COC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588070407 ZZWIMSZPEKWDOL-LJQANCHMSA-N 477.631 1.624 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1588646382 JGGBHBKSGDYFIF-MSOLQXFVSA-N 483.635 1.912 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(=O)N2CCOCC2)CC1 1588872192 YGAWGOBNTNXBHF-UHFFFAOYSA-N 480.613 1.769 30 10 JDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1593635893 BVWXKRORFLZTGN-SFHVURJKSA-N 458.588 1.517 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1595405391 MYFILNABMAGYBE-OALUTQOASA-N 462.595 1.931 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](SCC)C1 1595551019 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C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCOC[C@H]1C 1359015152 KAROYIBAKSBUAL-QZTJIDSGSA-N 478.594 1.388 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCS(C)(=O)=O)CC1 1359032108 BPHRSASVLGGBSX-UHFFFAOYSA-N 466.405 1.816 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCn2cc(C)cn2)CC1 1359035782 DNUKXJTYIDUCLE-FQEVSTJZSA-N 484.605 1.547 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cc(F)cc(F)c2)CC1 1359041448 WVRIMKAVKXQEMV-OAHLLOKOSA-N 494.568 1.375 30 10 JDEE C=C(Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1)c1ccccc1 1359139691 ASYRUQJIMSTDNS-LJQANCHMSA-N 458.588 1.632 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CSCCS2)CC1 1359178977 IFEFGSTZURYKEK-SJORKVTESA-N 473.690 1.862 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2F)CC1 1359227965 QIQRMXXNOJNJON-KRWDZBQOSA-N 464.567 1.634 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1359298332 WAVASJUWBRLSOF-UHFFFAOYSA-N 480.573 1.715 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1359329459 JKESBCGBGVSYLF-HXOBKFHXSA-N 492.598 1.947 30 10 JDEE N#Cc1ccc(NC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1Br 1466496762 CNKHKEGBIXNIJE-HNNXBMFYSA-N 457.350 1.979 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCNC(=O)C(C)(C)C)CC2)c1C#N 1492727663 CHZJXSKNRNQPBG-UHFFFAOYSA-N 455.611 1.879 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1507628800 YLSSWWAPRFCLLB-KNQAVFIVSA-N 476.603 1.036 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1507732530 WJDMQZXLUIJOGA-QGZVFWFLSA-N 450.465 1.922 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC1 1507741327 ZEGHUERQKXGYDQ-UHFFFAOYSA-N 463.542 1.219 30 10 JDEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507787114 BUJOUOISQUHWGL-UHFFFAOYSA-N 488.390 1.444 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CN1CCCC1 1507821107 UINQIYSJJMJJFO-RTBURBONSA-N 454.641 1.745 30 10 JDEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507911973 REWHROHTYHTUCE-KRWDZBQOSA-N 468.558 1.712 30 10 JDEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507958779 COUYGFHMBFJJKW-UHFFFAOYSA-N 477.569 1.680 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1508078678 GCRFQSFYZIZNLK-UHFFFAOYSA-N 483.573 1.602 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1508084935 DITAPIRXLVJKBT-IRXDYDNUSA-N 453.547 1.255 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1508095282 VIEWCVAFPRZNOL-KOSHJBKYSA-N 471.558 1.942 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1 1508149802 XHSKCONJICATGH-JFIYKMOQSA-N 453.609 1.464 30 10 JDEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCS(C)(=O)=O)C[C@H]2C)CC1 1508231717 IABOJYLVRWHBRW-XMSQKQJNSA-N 499.641 1.240 30 10 JDEE COC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)CCCC1 1517923605 ADMJSXKRLPVIJV-KRWDZBQOSA-N 467.578 1.752 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1(C(N)=O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1539211393 IJGNLBANLHGIDQ-FQEVSTJZSA-N 485.610 1.416 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(S(C)(=O)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1539220530 KIIREHFSBVITHD-ZWKOTPCHSA-N 484.644 1.504 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539230906 RGFOFBATJYZVFQ-SFHVURJKSA-N 475.619 1.071 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539231216 UAGUMAZACIRVSG-HXUWFJFHSA-N 461.636 1.497 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1539444827 VFVWACMLGFGBEG-JOCHJYFZSA-N 479.629 1.652 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)N2CCOCC2)CC1 1539474579 UXTZXHBXQGVZMS-IBGZPJMESA-N 496.612 1.649 30 10 JDEE C=CCCCn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540020110 GJWPMAQIHPYGEM-QHCPKHFHSA-N 460.579 1.212 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1540036044 JXMNPBREBPLTMI-SFHVURJKSA-N 474.587 1.130 30 10 JDEE C=CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O)C1CC1 1540094033 FGRRNYZFXGSJQA-FUHWJXTLSA-N 450.609 1.775 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C(C)C)C1 1540864803 LLULTKOSOVAYFE-IBGZPJMESA-N 476.603 1.359 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1540874665 NVQCJKXPNIOTTH-WIYYLYMNSA-N 465.558 1.188 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(C)(=O)=O)CC1 1540881024 XAVIXTITCQDLRE-GOSISDBHSA-N 494.639 1.807 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](NC(=O)CC)C1 1540899933 FNJMOMIDPPKIPM-KRWDZBQOSA-N 475.571 1.770 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1540900985 PCNPXIJJKJCELN-UYAOXDASSA-N 460.604 1.488 30 10 JDEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)CS(C)(=O)=O)CC1 1547727520 GMBGXSKMMTVGJX-WOJBJXKFSA-N 487.674 1.960 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)N[C@H]2CC[C@H](O)CC2)c1 1557206919 WBASOARVCLYBOX-IYARVYRRSA-N 455.536 1.884 30 10 JDEE COc1cc2c(cc1S(=O)(=O)N1CCN(Cc3ccccc3)[C@H](C#N)C1)C(=O)NCCC2 1561248769 AYGKYXAOMVCOGC-LJQANCHMSA-N 454.552 1.770 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1587639443 LUWDEWIZCYNQIG-QYWGDWMGSA-N 489.598 1.449 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588030049 OQYVRIGFIBWIMG-GOSISDBHSA-N 451.593 1.250 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1nc(C(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1588050294 QNIXTOZNZTVXGB-HNNXBMFYSA-N 457.585 1.990 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1588055829 ZYZRGWVTGBVOOX-YBXZHIRMSA-N 484.644 1.012 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCNC(=O)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1588065136 VAHUCMSSRCLJJV-QFIPXVFZSA-N 492.605 1.629 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1588069104 HIXAMYKWKUAZLQ-LJQANCHMSA-N 468.583 1.617 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1 1588233207 DCADJDYRYZXTDX-QZTJIDSGSA-N 456.547 1.328 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OC 1588233353 HRMUEYAKVNFSTF-OAQYLSRUSA-N 471.583 1.325 30 10 JDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(S(=O)(=O)NC)c1 1588250190 AGDZLIRCNFUXCP-UHFFFAOYSA-N 465.583 1.559 30 10 JDEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1588574414 HHDUERBGZBDHHE-CVDCTZTESA-N 476.599 1.671 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(N2CCCCC2)c1 1588645801 CFFYFGFCELBWCC-HXUWFJFHSA-N 472.615 1.700 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1589037431 ZWVQGSQGCTYMNV-INIZCTEOSA-N 450.586 1.952 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)C(=O)C1 1593711126 CBHLCKFJQDKFOX-UHFFFAOYSA-N 459.572 1.752 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(C)no2)CC1 1593746332 BGEJAVQFCQCRKY-GOSISDBHSA-N 464.592 1.392 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1595593327 AIISMAROIPTQLC-UHFFFAOYSA-N 485.564 1.043 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@H](OC)[C@H](OC)C2)cc1 1595613224 AARDQSPLIRMKTB-RLLQIKCJSA-N 462.572 1.643 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1615937779 HAOUVHVTZMNUID-UUOWRZLLSA-N 453.591 1.872 30 10 JDEE CS(=O)(=O)N1CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](F)(C#N)C2)C1 1620168438 GGRRIGCHPFIXTR-UTKZUKDTSA-N 473.534 1.452 30 10 JDEE COC(=O)c1cn(C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CC2)nn1 1624849953 HXHRLKUKFKSUDC-AWEZNQCLSA-N 456.890 1.806 30 10 JDEE C#CCOCCC(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1639849992 ATHLGVJCSYAVFC-UHFFFAOYSA-N 452.533 1.314 30 10 JDEE COc1cccc([C@H](NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c2nccn2C)c1 1641554258 ICJVWYOUVIDGNQ-QRWLVFNGSA-N 453.524 1.873 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)CC1 1650846247 OSWIMRQZDCQOIR-QFIPXVFZSA-N 451.552 1.606 30 10 JDEE C#CC[C@H](COC)NC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1687206404 SDILEYZRZARPIL-OTWHNJEPSA-N 450.580 1.962 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1689977713 BDOHSCATOCDCKO-SFHVURJKSA-N 480.550 1.609 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689977717 BIAOFMHDUPNIEM-OALUTQOASA-N 490.655 1.505 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1689996749 NQIVIRPYONYEJW-IBGZPJMESA-N 473.599 1.564 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCN(C(C)=O)CC1 1690042836 FAOQEPTVCWOMPT-UHFFFAOYSA-N 470.581 1.758 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1 1690046933 IGQAXEVYKYFQAL-NRFANRHFSA-N 455.584 1.625 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1690141823 CLIOUUVTXMIPCU-BGYRXZFFSA-N 465.602 1.805 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1690146753 VKYPUFNYPXWJAD-FQEVSTJZSA-N 472.634 1.637 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(O)CCOC2)CC1 1690150580 MXHQJDWGVBUQTM-DEOSSOPVSA-N 453.543 1.017 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(O)CCO[C@@H]2C)CC1 1690154532 QOMJRYDRFMFYJG-DRCLYLBJSA-N 473.618 1.702 30 10 JDEE C=CC[C@@H](Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)c1ccccc1 1690442412 RUFLZQIIDXIDAM-FPOVZHCZSA-N 493.612 1.703 30 10 JDEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690483121 IYVOHUJPXZYGFF-RTBURBONSA-N 455.563 1.779 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)F)C1 1690509158 YKSGBRLCODZUKR-JKSUJKDBSA-N 463.551 1.685 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1690661923 LIBZNOBWTYKQML-KRWDZBQOSA-N 484.557 1.474 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@]1(O)CCc2ccccc21 1692772470 FCKBQVXAEMUXMS-ZHRRBRCNSA-N 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1359036764 IBJGZWWATDPUNJ-UHFFFAOYSA-N 485.639 1.368 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccsc2)N(C)C)CC1 1359040107 IKMGSIWHUJFRSB-LJQANCHMSA-N 471.631 1.747 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359189651 QHRIWCBGHDJXGY-IIBYNOLFSA-N 466.608 1.072 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1359291876 DBPONYOJCOEHBR-WBVHZDCISA-N 465.551 1.873 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCC(=O)N(C)C)C[C@H]2C)CC1 1359399459 QMIIAKVBYAMUJI-AUSIDOKSSA-N 492.628 1.674 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCCC1=O 1359473324 ACIMMWOTDOBHLG-FXAWDEMLSA-N 470.599 1.947 30 10 JDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1 1360017326 DBWKBZWPVOHBGI-UHFFFAOYSA-N 451.575 1.844 30 10 JDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 1440350959 FWICDUWMYDDNLT-QGZVFWFLSA-N 458.378 1.753 30 10 JDEE COC[C@@]1(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CN(C(=O)OC(C)(C)C)CCO1 1443893242 JDQNBBPCQGMQFD-GBXCKJPGSA-N 458.559 1.875 30 10 JDEE C#CC[C@]1(C(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)CCCN1C(=O)OC(C)(C)C 1446601311 LYWHJORWCLYFGH-FOIQADDNSA-N 456.586 1.792 30 10 JDEE C#CCN1CCC(NC(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C)CC1 1455946284 PZNKDNGDHIPCTE-UHFFFAOYSA-N 459.616 1.750 30 10 JDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1493168368 DKVJOBWJKCQHDV-WIYYLYMNSA-N 478.601 1.426 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1502386034 GQHZDCUWSMAUMH-UHFFFAOYSA-N 490.616 1.666 30 10 JDEE COCCN1C[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](c3cccc(C#N)c3)C2)CC1=O 1504897767 HKBLBASPVWREOY-FPOVZHCZSA-N 495.584 1.361 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1507630103 ZLBORFIGPLCQTA-KRWDZBQOSA-N 475.571 1.114 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@@H]2CCC[C@@H](O)C2)n1 1507715652 AUMLWZVWNLAVEI-UYAOXDASSA-N 450.547 1.769 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1507739793 VDFDWKPSIKFXPW-IBGZPJMESA-N 477.631 1.843 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1507901597 CABIUKPOYDZEPV-GOSISDBHSA-N 498.650 1.880 30 10 JDEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCN(C)C1)C1CC1 1507993195 OUNKAMQKSLGASH-MBSDFSHPSA-N 462.595 1.808 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1508092775 RCZWJTBANUNTAZ-UHFFFAOYSA-N 462.558 1.893 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1508145247 KYIAHHYTTJDWHC-KRWDZBQOSA-N 476.559 1.618 30 10 JDEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)CC1 1508360284 GLUQXZDJJCGTOM-UHFFFAOYSA-N 473.603 1.497 30 10 JDEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCS(=O)(=O)CC2CC2)CCOC1 1516193607 FCOFZZUFHPQFEV-RTWAWAEBSA-N 451.593 1.885 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(SC)c1 1519164267 IFZRSSORYYWTDP-MRXNPFEDSA-N 450.590 1.712 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCOCC2)CC(OCC)C1 1538964369 JCUOWXDWOVEVDS-JNDNBTNTSA-N 467.574 1.653 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCNC(=O)C1CCC1)[C@H]1CCS(=O)(=O)C1 1539212126 SBSGDXVTPJQROQ-IBGZPJMESA-N 485.610 1.887 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539219212 BMFKVVMRCQPECF-AEFFLSMTSA-N 498.577 1.599 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1539231285 UPMBKJVZSAINIT-YLJYHZDGSA-N 460.556 1.671 30 10 JDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCS(=O)(=O)C1 1539383821 LNIKAHZEZFGQTI-ZACQAIPSSA-N 451.593 1.943 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1539389690 AKHOVKPXZKATFX-QFIPXVFZSA-N 455.515 1.669 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCNC(=O)c2cccs2)CC1 1539430172 HAWBIJJSYCULHW-QHCPKHFHSA-N 472.615 1.565 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1539477126 INQXYQWLUDSCRF-INIZCTEOSA-N 478.523 1.529 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)c2cccs2)CC1 1539488606 BQLHBSJRFZQLMI-VAXXYWNWSA-N 487.626 1.937 30 10 JDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539578977 GSDHGJDMNRCIFL-CYBMUJFWSA-N 471.356 1.431 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1539615133 GESBYFQWSTWWHO-WOZUAGRISA-N 497.662 1.988 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1540861707 DCQMNZRVSGMYPL-SFHVURJKSA-N 471.606 1.291 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1540876117 IFUIFJFFOJLDCP-SJLPKXTDSA-N 468.624 1.017 30 10 JDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC2CCOCC2)CC1 1547320045 DRYSMSKWKLMLQC-UHFFFAOYSA-N 481.601 1.756 30 10 JDEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)N(C)C)c1 1554790931 DJGPSJDCISUCFG-LJQANCHMSA-N 452.512 1.296 30 10 JDEE C=CCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)CC1 1563958517 LOQHFJAAIDGSND-UHFFFAOYSA-N 450.590 1.358 30 10 JDEE C=CCn1cc(CNC(=O)NC[C@@H](O)COc2ccc(I)cc2)nn1 1564958423 SHPQAHQCAJYRAA-CQSZACIVSA-N 457.272 1.308 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](CO)Cc2ccc(C)c(Br)c2)C1=O 1569200539 QEZKOFGJXOBIEL-AWEZNQCLSA-N 452.305 1.002 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Br 1587639340 KWZPHPBNHBCAKR-RHSMWYFYSA-N 482.404 1.880 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1587707006 VRLLYSBBPSATMQ-AWEZNQCLSA-N 478.541 1.587 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1588069832 TVDFPTHXEMIQEB-WOJBJXKFSA-N 476.647 1.292 30 10 JDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1588385821 KNQMOTDWXYLMMY-SFHVURJKSA-N 472.619 1.193 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCOC[C@H]1OC 1588637681 JIXUTPKLDLGWEU-QFBILLFUSA-N 452.515 1.731 30 10 JDEE C#CCSCCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1589109757 JJXKRMUWXNDKIA-QGZVFWFLSA-N 494.415 1.937 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncc(CC)s1 1589216736 WHJNPKBKLYZBIW-OXJNMPFZSA-N 464.617 1.670 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1589496599 YQONKXZDZLLRLM-HAGHYFMRSA-N 482.651 1.028 30 10 JDEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1593763456 KYWGXEUIXVXZCF-UHFFFAOYSA-N 461.526 1.978 30 10 JDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1594825045 UYBLZMFMCNJPAT-IRLDBZIGSA-N 487.649 1.372 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(n2ncc3ccccc32)CC1 1595475503 DCSCYAFSLRNXCX-MRXNPFEDSA-N 486.602 1.382 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCOC1 1595536761 GLELFWAOYCUWFN-MRXNPFEDSA-N 451.531 1.450 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1595789387 RPOMKOLKZJQFNE-JKSUJKDBSA-N 477.591 1.720 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)C1CCC2(CC1)OCCO2 1595823491 OMTCZPYPXCGLCF-UHFFFAOYSA-N 467.592 1.123 30 10 JDEE CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)CC1 1620168379 DPMIKJRHMRFGAZ-UHFFFAOYSA-N 485.614 1.691 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C)C[C@@H]2CNC(=O)OC(C)(C)C)c1 1622135671 NIQKAUNYZJIIIV-KRWDZBQOSA-N 452.577 1.432 30 10 JDEE C#CCN(CC)C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1625501996 JUJUFENNNXVCRS-CQSZACIVSA-N 453.870 1.753 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2nn(CCCCCC)c(=O)c3ccccc23)CC1 1628142896 BHVRIZDKVPPLOS-UHFFFAOYSA-N 451.571 1.874 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(CC(=O)N3CCN(C)CC3)c2)c1 1630775051 IINTVINRFIZXEW-UHFFFAOYSA-N 456.568 1.720 30 10 JDEE C#C[C@H](NC(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br)C1CCOCC1 1635087306 DEYKPPHNMGEHLK-INIZCTEOSA-N 458.378 1.763 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCN(c2ccsc2C#N)CC1 1640439302 GNMRVIZJUROTFZ-AWEZNQCLSA-N 456.590 1.596 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 1689978182 OMBCIKHFBLXWJU-NRFANRHFSA-N 486.642 1.938 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(=O)NCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689988443 PBQXQKBTNQMJKJ-NRFANRHFSA-N 492.605 1.634 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cc(F)ccc1N1CCOCC1 1690101101 OHYFOICSJHLTGA-UHFFFAOYSA-N 451.506 1.845 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCn2cc(Br)cn2)CC1 1690128743 JGNQPPFCAQCCRH-UHFFFAOYSA-N 455.364 1.678 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)c2c(C)noc2C)CC1 1690144428 ZCEBVPVXBPBOQM-RDTXWAMCSA-N 453.547 1.604 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@](C)(O)CC)CC1 1690152643 SPJPMBOAVJPALW-XMMPIXPASA-N 455.559 1.993 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COCC)C1 1690228784 FXRQXDWTJYDLSS-HOTGVXAUSA-N 492.440 1.773 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1690245894 OFKNGQNWRGJYON-RDGPPVDQSA-N 453.609 1.529 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1690465284 WWWHZFJBRVFDRS-KSZLIROESA-N 466.608 1.024 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1690654952 AXHKUKQHNUTCKM-QGZVFWFLSA-N 475.594 1.652 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1c(F)cccc1F 1690671082 OTEMZOOAWYBPJS-CQSZACIVSA-N 453.515 1.787 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1705524551 OJDDGEQGIHYXCV-IBGZPJMESA-N 493.678 1.072 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1705567368 VRJWGDZCDAEDFO-ZWKOTPCHSA-N 497.042 1.703 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CCNS(C)(=O)=O 1705624464 CBAKSDXRXFIYCS-UHFFFAOYSA-N 456.366 1.343 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1705627255 ASIGMPOKQFYJGB-IBGZPJMESA-N 453.547 1.893 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(=O)NC(C)C)CC1 1705634252 OZMFVXRMBJPIAD-UHFFFAOYSA-N 458.588 1.019 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CN2CCOCC2)c1 1705668814 ULPIVOYNNMWSTQ-YADARESESA-N 486.642 1.761 30 10 JDEE C=C(Br)Cn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1705692238 CYTWDZFMWHFSDA-PBHICJAKSA-N 463.398 1.851 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)CC)CC1 1705699005 BEVOHIGFTGZQHP-IEZWGBDMSA-N 451.593 1.614 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(=O)COC)CC1 1705890844 LXWMVMDYGAWEBX-KRWDZBQOSA-N 464.567 1.504 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(F)(F)C1 1705934654 SSKKRYOHXDGTPP-UHFFFAOYSA-N 464.498 1.638 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1722364466 GYZLDFXJAQRANZ-SFHVURJKSA-N 454.556 1.798 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1722368961 USUGKAONSPYONO-CHPDAQJUSA-N 463.604 1.451 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(O)CCN(C(C)C)CC1 1722392570 IHXZFVQXUQDLRA-UHFFFAOYSA-N 473.585 1.619 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCOC[C@H]2OC)CC1 1722433109 LPONGPVXWXCFPS-CRAIPNDOSA-N 463.380 1.842 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1722448384 SSRUVQVQHNIZQB-UYAOXDASSA-N 455.607 1.315 30 10 JDEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722683618 UQSAOVGYGFYDQM-UHFFFAOYSA-N 484.557 1.428 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1722702205 KZYIVHCHXFPUDA-KRWDZBQOSA-N 484.586 1.366 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(C)coc2C)C1 1722718572 LOGADNAIIXOSSY-PKOBYXMFSA-N 465.576 1.650 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1722729181 XTRKGUNJKWDEQR-INIZCTEOSA-N 468.649 1.386 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC1(N(C)C)Cc2ccccc2C1 1723910346 FIRIJEUTVDVXEM-SJORKVTESA-N 459.620 1.726 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1740563314 SCNYJAFCRNQQEH-IBGZPJMESA-N 472.509 1.385 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1740618106 CFYZEDXDBCKWQJ-KRWDZBQOSA-N 455.544 1.240 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CC1(CS(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1740621022 SONYAPOEQONSLO-SFHVURJKSA-N 476.624 1.705 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1740622405 COQAIMRHPCCMGH-AEFFLSMTSA-N 475.546 1.246 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 1740627829 SPTXOAXLZRXYRH-STQMWFEESA-N 475.518 1.932 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1740629394 MCGPCWVUWZXGJA-QGZVFWFLSA-N 475.475 1.651 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(N)=O)c1 1740640740 VAUZLZJEPKHFOV-HXUWFJFHSA-N 478.553 1.807 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(F)(F)Br)CC1 1740695091 DLFKQORNFQTCPN-UHFFFAOYSA-N 492.328 1.935 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC(=O)N(C)C)CC1 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C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1cccc(Cl)c1 1507653381 NTEWKLMKBGCNCD-KNQAVFIVSA-N 492.001 1.245 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C)C1=O 1507670784 BXMVUKKEEHEKQE-UUOWRZLLSA-N 470.574 1.528 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCN2CCOCC2(C)C)CC1 1507732598 QCIYRDDNIPAUOH-UHFFFAOYSA-N 456.566 1.862 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1507741652 YHCWNFIRYDCZHA-OAQYLSRUSA-N 482.560 1.973 30 10 JDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1507751421 HXUYIUDWQPFOJI-KRWDZBQOSA-N 487.630 1.409 30 10 JDEE C=C(Br)Cn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507793334 QAZZXPJENLBMNC-OAQYLSRUSA-N 499.454 1.874 30 10 JDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1507959527 DRZYQHKPQDNBAA-SIKLNZKXSA-N 470.622 1.650 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)CN2CCN(CC)CC2)C1 1508107639 DLVVEODLLKMIMO-RTWAWAEBSA-N 459.639 1.569 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)cc2)C1 1508122732 GDNHNVZDVJLFCZ-PMACEKPBSA-N 461.588 1.749 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1508142334 STMKEQOKCSTEBU-HXUWFJFHSA-N 450.653 1.753 30 10 JDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1516811547 FWCWCXNXMNPPQZ-UHFFFAOYSA-N 462.532 1.052 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(C(F)(F)F)CC1 1539071526 BCVWONJVXMRNCS-HNNXBMFYSA-N 479.525 1.308 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCN(C(C)C)CC1 1539154427 JMOZLFJBRBCOHP-UHFFFAOYSA-N 474.631 1.500 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1539202430 IPKSGWDWCHTJBK-WHUARKNTSA-N 491.639 1.543 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1539202876 LTFYXGBFDUNCJP-AQOAWAETSA-N 465.620 1.374 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1539206003 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1547819314 ADXKPKYKDDDPBR-SFHVURJKSA-N 469.546 1.968 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCS(=O)(=O)N(C)C)c1 1587693427 SKTNUYCOMNGDIL-LJQANCHMSA-N 474.587 1.467 30 10 JDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1587702213 QHVNQWRJAPXNIU-MRXNPFEDSA-N 450.503 1.202 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1588046007 VPGYBYDZOABESE-IAGOWNOFSA-N 484.548 1.795 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1588058828 DCCUGFHRNUCALQ-ZOKDDAQRSA-N 464.588 1.546 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C)Oc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1588069393 MUTAAAQEFXIPAW-PMACEKPBSA-N 485.610 1.803 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CC[C@H](CO)O1 1588214086 HPBYAYSPDMGPBW-ZWKOTPCHSA-N 456.572 1.241 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)c1ccccc1 1588388287 ZTAWRFMCDDEQAU-QGZVFWFLSA-N 453.515 1.863 30 10 JDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1589008541 VYYMUXLGZVECFC-INIZCTEOSA-N 478.600 1.985 30 10 JDEE C=C(Cl)Cn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1593923736 QHXBMIXQZJNDBE-OAHLLOKOSA-N 460.922 1.155 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC(C)(C)[C@H]1C 1595497113 QFZABPRJEODUKL-MRXNPFEDSA-N 476.603 1.501 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1595550299 CCHMPPZFDZXPCV-RBUKOAKNSA-N 459.572 1.278 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](n3nc(C)nc3C)C2)nnc1[C@@]1(OCC)CCOC1 1595602736 PKAUUIOVRCGETI-XMSQKQJNSA-N 458.567 1.282 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1595823339 NHVIFAAZGCYEPY-UHFFFAOYSA-N 488.545 1.253 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1619912432 CMXWNJYIODZCAZ-LVCYWYKZSA-N 451.593 1.752 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNc2nccc(C(F)(F)F)n2)C1 1620346503 BZCRQUMHUFQLAE-DIFFPNOSSA-N 453.404 1.592 30 10 JDEE C#CC[C@@]1(C(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)CCCN1C(=O)OC(C)(C)C 1635793654 BJMJHLCXFVSWHZ-NRFANRHFSA-N 456.609 1.510 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccc(OCC(N)=O)c1 1649539497 OCVJZMLSSYEKJQ-INIZCTEOSA-N 495.609 1.917 30 10 JDEE C=CCCc1ccc(S(=O)(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc1 1661193738 HXDMERSEXZUJPV-HXUWFJFHSA-N 456.630 1.705 30 10 JDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 1671137573 POFUOXMMWWFVJK-UHFFFAOYSA-N 450.517 1.798 30 10 JDEE CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)ccc21 1671926092 BSZRLGRGXKBLID-MGPUTAFESA-N 451.570 1.280 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1([S@@](C)=O)CCC1 1690088289 HNPCTCRNEMUSSM-RKXCMPKHSA-N 481.619 1.968 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[S@](=O)CC)CC1 1690110255 DSQOTAVUBYYBAT-WJOKGBTCSA-N 463.007 1.385 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(Cl)s2)CC1 1690137166 OYHGMLYRTVKOOV-CQSZACIVSA-N 499.062 1.812 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)CC1 1690139199 DCOBTMASKROXKO-UHFFFAOYSA-N 461.526 1.625 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C[C@@H]1CCOC1)C1CC1 1690236917 TXWVQBZANOWBLD-BMFAXAFESA-N 453.609 1.875 30 10 JDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1690470474 CKHQJWHEEIOMTM-UHFFFAOYSA-N 486.558 1.532 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2CC1 1690508696 NGAHSBJINZWBDC-NRFANRHFSA-N 475.615 1.809 30 10 JDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)N1CCOCC1 1690531281 GVWGGRUOFZIPIP-UHFFFAOYSA-N 467.618 1.514 30 10 JDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCCOc1cccc(S(C)(=O)=O)c1 1690643461 BIXXNPJWNLOWNL-MRXNPFEDSA-N 468.601 1.675 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1690724849 XGTKRBMJEVNWFN-CQSZACIVSA-N 492.545 1.835 30 10 JDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)N(C)C 1692720738 FGSXJDCUYYTKAD-QUCCMNQESA-N 489.646 1.787 30 10 JDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCOCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1696630464 CQXKXXIACWRGKE-LJQANCHMSA-N 458.588 1.551 30 10 JDEE C#CCCCn1c(N2CC[C@H](S(=O)(=O)NCC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705539663 YAGDLZHYQRTUOU-KSZLIROESA-N 480.635 1.980 30 10 JDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1705549722 GAHJYUXIMXWGKW-UHFFFAOYSA-N 461.448 1.813 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(CCOC)CCC1)[C@H]1CCS(=O)(=O)C1 1705558671 DTPAJUGNMWERDJ-KRWDZBQOSA-N 451.593 1.250 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705559172 SVYATOCAWYLUOE-XXBNENTESA-N 471.583 1.049 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(OC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1705561106 NHOAMOCAYAHEDR-CVDCTZTESA-N 480.631 1.906 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1705595798 HAELSBMXLBNWGM-VWLOTQADSA-N 459.554 1.204 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(O)CCOC2)n1 1705631619 KIYMDSOQBBJNIF-OTPAQWSUSA-N 486.617 1.831 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@@]2(C)CN(C)C2=O)n1 1705631811 QXSRHXDMNVUEJF-FDDCHVKYSA-N 455.563 1.133 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705679345 KFNDIRFUZQHKHB-SFHVURJKSA-N 468.356 1.139 30 10 JDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705688160 OAVWMYLAXPUBIT-INIZCTEOSA-N 469.384 1.655 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1705894759 KBZBHADLTDYFSF-JOCHJYFZSA-N 458.950 1.781 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1705898536 OSVDRZMAUUKAPU-KRWDZBQOSA-N 456.547 1.617 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1705919636 HREVWQKIXRAPQL-SLFFLAALSA-N 491.614 1.517 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1705931381 OBQVDUGFROGDAJ-CALCHBBNSA-N 497.643 1.410 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)c1ccccc1 1722295789 MEPWYYLOCWRMIJ-WBVHZDCISA-N 453.515 1.861 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cn(C2COC2)nn1 1722421696 SBRQARPGBPWJIT-UHFFFAOYSA-N 461.324 1.333 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCN2CCCO)CC1 1722444331 XCYNGZQJLDOQFV-JOCHJYFZSA-N 495.584 1.666 30 10 JDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1722461849 HKXQEACANHUZDB-GOSISDBHSA-N 453.616 1.419 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1722695224 XIKQRYMNFMZEKT-HXUWFJFHSA-N 451.531 1.666 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC(=O)N1CCOCC1 1722695987 WWHLIEMHUKVQBE-UHFFFAOYSA-N 462.938 1.204 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1722696141 CHDMZGZWCHXAOC-INIZCTEOSA-N 461.505 1.763 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1 1722704531 JZPMCGWOOBYVIS-FQEVSTJZSA-N 482.585 1.568 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722707230 JTMWJHWCFYHHIQ-PKOBYXMFSA-N 461.588 1.865 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC([C@@H]2CCCO2)CC1 1722725751 RXKHDDIYYYDBNH-SFHVURJKSA-N 451.593 1.510 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722726539 FXWRAAUPTGMXNP-INIZCTEOSA-N 459.638 1.254 30 10 JDEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 1728628686 GPMUBBPHYJQJTQ-SIKLNZKXSA-N 453.591 1.956 30 10 JDEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1729180832 BNTDOIWYFZMIFH-OPAMFIHVSA-N 459.572 1.760 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1 1740558247 DPZRAEGRXQVDMS-INIZCTEOSA-N 464.613 1.977 30 10 JDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1740589819 FTMXPGYOZRGNBG-RTBURBONSA-N 451.593 1.216 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCC(=O)NC 1740756095 NEWFCVIPHYYMAZ-PXNSSMCTSA-N 451.535 1.474 30 10 JDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1740995240 FMRGEIJFSBZWGM-UHFFFAOYSA-N 463.652 1.470 30 10 JDEE CC(C)(C)[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1741242443 HMPJKVXOVZXYAJ-UMSFTDKQSA-N 483.642 1.765 30 10 JDEE CCS(=O)(=O)NCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C#N)C1 1747447439 DPXVTTZHDMFOKJ-IBGZPJMESA-N 476.603 1.823 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccco1 1747730063 CJTMVXAWFMIQJF-IBGZPJMESA-N 456.528 1.760 30 10 JDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1748724815 IZLMLKNOKQDDQP-QHCPKHFHSA-N 463.586 1.553 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1=CCc2ccc(OC)cc21 1748791504 UJHZRWPNSMYXJX-OAQYLSRUSA-N 471.583 1.719 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1748804998 MRPPFJUNLBWXFK-LGVFNWMJSA-N 493.674 1.677 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1748819301 MHKWJQQVUWYLAL-SFHVURJKSA-N 456.959 1.987 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNS(=O)(=O)CC 1748923171 WVNYMUOHKWNSCJ-UHFFFAOYSA-N 471.587 1.635 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1748993432 XFJHMLDZTLJESR-HSZRJFAPSA-N 466.630 1.990 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1749016643 IUTMJFUJZBKQOT-IBGZPJMESA-N 498.701 1.626 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1749669509 ILHWGEXHJIZITB-BBWFWOEESA-N 475.594 1.661 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1749729100 AXUYSDAQMDLEJS-SFHVURJKSA-N 462.620 1.574 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1749735276 QUGVWUJRLDVVFE-LJQANCHMSA-N 456.572 1.581 30 10 JDEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1750211966 AAYLXPZDEAFSAJ-ZWKOTPCHSA-N 492.627 1.017 30 10 JDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C[C@@]2(CCCOC2)O1 1752311741 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C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@]2(CCOC2)C1 1760523784 HQMPJZLLYAWEAB-KOSHJBKYSA-N 490.605 1.691 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C(C)(C)C1 1760554642 IZEOMWAFWDYTJZ-IRXDYDNUSA-N 489.664 1.084 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1760557819 XCGZYGYBTJAHSL-CVDCTZTESA-N 476.599 1.885 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1760558431 OOXLWZFZZOKUDY-MRXNPFEDSA-N 465.507 1.238 30 10 JDEE Cc1nc(C)c(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)s1 1762247590 CBSYYIWGNZCZSL-DNVCBOLYSA-N 483.595 1.369 30 10 JDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1768462786 HKCDLSSTNZYICX-UHFFFAOYSA-N 471.525 1.410 30 10 JDEE COc1ccc(Cn2nnc(C#N)c2NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1F 1870110676 DGJYWGKIFZCKRQ-UHFFFAOYSA-N 479.384 1.489 30 10 JDEE C=CCn1cc(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)c(=O)cc1CSc1ncccn1 1870258977 LMQCQGSRTSQVBV-UHFFFAOYSA-N 478.538 1.611 30 10 JDEE CCNC(=O)COc1cn(CCNC(C)=O)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870290625 MDHVNPKXFGDNJI-UHFFFAOYSA-N 471.583 1.984 30 10 JDEE C[C@@H](C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1)n1nc(-c2cccs2)ccc1=O 1890275746 KIHKDXXNOFVSJX-FQEVSTJZSA-N 483.638 1.791 30 10 JDEE CC1(C)OB(c2ccc(CN3C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C3)cc2)OC1(C)C 2162870650 XNVSFZRKVQTKQK-GOEBONIOSA-N 455.286 1.340 30 10 JDEE CC[C@@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)NC(=O)OC(C)(C)C 2255772809 IVTDDKREMGAQGE-ZDUSSCGKSA-N 458.390 1.301 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2255810025 GZGYKIWUFYNALR-ZDUSSCGKSA-N 453.370 1.808 30 10 JDEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255843226 DKUSBEPGCHYWDO-WJOKGBTCSA-N 454.358 1.539 30 10 JDEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267217271 FHEJBRMFWXYLCK-STQMWFEESA-N 467.401 1.195 30 10 JDEE C[C@@H](O)CN(CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2267366129 BFGHNHGCAJAMJC-CQSZACIVSA-N 490.453 1.944 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268682059 YYCZPDCQNUYCKY-OAQYLSRUSA-N 467.397 1.821 30 10 JDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)CCS(=O)(=O)C1 2268721768 PVWOOBQHLMRYGG-YCRPNKLZSA-N 470.397 1.905 30 10 JDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)[C@H]1OC 2271460211 FILAKACLXASZQT-IKGGRYGDSA-N 452.357 1.777 30 10 JDEE CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CC1 2281800862 OMZJNODNXWOGKK-UHFFFAOYSA-N 460.384 1.663 30 10 JDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282554052 XVCYWHBMNDAVPS-HNNXBMFYSA-N 463.388 1.000 30 10 JDEE Cc1c(C(=O)N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282597076 HZUZZDMZXGBPQK-LSDHHAIUSA-N 464.372 1.128 30 10 JDEE CN(C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282851026 WKDFOTAOILPEIT-KBPBESRZSA-N 482.412 1.205 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@]12CCN(C(=O)OC(C)(C)C)C[C@H]1C2 2282854164 OCLGZJBBPWYYLP-SZNDQCEHSA-N 482.412 1.397 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2359395140 VVUCRRQOKMANAV-KBRIMQKVSA-N 463.340 1.051 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2362334972 FVPZHIOFSUTBEW-OAHLLOKOSA-N 464.372 1.475 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCOCCN(C)C(=O)OC(C)(C)C)n1C 2362336029 OKBKEPRHPVCVBZ-UHFFFAOYSA-N 466.388 1.641 30 10 JDEE Cc1nnc(CN2CCCN(C(=O)CSc3nnc(N/N=C/c4cnn(C(C)C)c4)[nH]3)CC2)o1 20911134 SWOUEULJFWXJMO-ZVBGSRNCSA-N 487.594 1.546 30 10 JDEE O=C(NCC#CCOc1ccc(F)cc1F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 90732507 ZHGHQEIVESDQDP-UHFFFAOYSA-N 450.463 1.798 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cccc(CC)c1 729670059 HXKRYCOARPCLPC-UHFFFAOYSA-N 455.543 1.914 30 10 JDEE COc1cccc(NC(=O)CSc2nnc(NN=Cc3cc(OC)c(O)c([N+](=O)[O-])c3)n2N)c1 1083921069 OBILHJMYEANESJ-UHFFFAOYSA-N 488.486 1.800 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1286393966 MUVQZKNWLBFSAG-FQEVSTJZSA-N 456.616 1.765 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OCC)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1286397448 SAPLXCWBCIBNMK-QGZVFWFLSA-N 460.556 1.407 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C)ccc1OC 1286448346 SFENBCRPJVVSDH-HXUWFJFHSA-N 461.588 1.630 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CSCCS2)n1 1286470949 GMFUHRLQFLWTMZ-ZWKOTPCHSA-N 475.644 1.561 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC2CCN(CCN(C)C)CC2)CC1 1286489818 FMQDAKUKQNUZAL-UHFFFAOYSA-N 478.645 1.580 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1286495894 HSDSKFUWKYEOAZ-GOSISDBHSA-N 496.703 1.730 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cnn(C)c2)CC1 1286535354 HTJAZVUTPYSMAN-ZDUSSCGKSA-N 472.413 1.914 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCS(=O)(=O)C(C)(C)C 1286581128 GGDSAKAQVQNBHH-INIZCTEOSA-N 477.653 1.227 30 10 JDEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286690627 MSCOJOPGKDRBDC-UHFFFAOYSA-N 485.614 1.553 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN([C@H](C)c3nccs3)CC2)nnc1[C@]1(OCC)CCOC1 1286793893 PDNMYUDERFLDIT-VGSWGCGISA-N 475.619 1.572 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1286793966 QZMYUNWJRCQZBI-ITSWEJNFSA-N 459.522 1.541 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCNS(C)(=O)=O)C1 1286802348 AOYNYDKMBRWUHM-AWEZNQCLSA-N 473.397 1.377 30 10 JDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1300336544 IWSREWIGNGHVHD-UHFFFAOYSA-N 456.551 1.169 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1300483412 LKKRALDRWCFAJA-QIJUGHKUSA-N 468.620 1.497 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300484439 SEJPUEWCJUCPOT-LJQANCHMSA-N 468.583 1.748 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(NC(C)=O)c1)[C@@H]1CCS(=O)(=O)C1 1300488648 UBUALABFAYJNSK-HXUWFJFHSA-N 467.555 1.312 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCCOc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1300493028 QEVKYVVICIJUNU-AZUAARDMSA-N 489.573 1.854 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1300493426 TXWRHEGAFMSNIS-GOSISDBHSA-N 454.560 1.203 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](COC)OC 1300559146 KCYIHLXKAQYAAN-SFHVURJKSA-N 458.588 1.671 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCS(=O)(=O)NC(C)C)CC1 1300682869 KIVYJIHCNSJFCC-GOSISDBHSA-N 478.594 1.640 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(F)c2)CC1 1300712721 WDEPPGSCAADRCP-HNNXBMFYSA-N 462.551 1.042 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)C)CC1 1300886027 VBVXFFZFBFOBLT-ACRUOGEOSA-N 496.678 1.513 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300892641 UULHKVSCDFQFRG-UNMCSNQZSA-N 491.662 1.887 30 10 JDEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1301145947 MZAIDHOGVOWNPA-UHFFFAOYSA-N 453.591 1.923 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1301584535 BNXXPAKMGUNSBE-IRXDYDNUSA-N 496.634 1.523 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nccs2)C1 1301594695 IMXFIWJUFGSWAA-KBPBESRZSA-N 458.635 1.842 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccccc2Cl)C1 1302477710 FLYTURAJZBQSFV-LPHOPBHVSA-N 468.942 1.755 30 10 JDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)CCN1S(C)(=O)=O 1302882454 HRAHVKYAQUOQJR-INIZCTEOSA-N 473.603 1.592 30 10 JDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCN(c3ccc(C(N)=O)cc3)CC2)CC1 1307482534 GTVQKHSCKHLLJJ-FQEVSTJZSA-N 452.584 1.378 30 10 JDEE CN(C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)C1CCCCC1 1314649771 DJXOVHCQVMAHLO-NHCUHLMSSA-N 493.678 1.861 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1358959784 PPOJSASZGXJQNV-IBGZPJMESA-N 454.556 1.845 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)c1ccco1 1358971861 LHMABLSWVIWRRS-UHFFFAOYSA-N 480.550 1.291 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(O)CCOC1 1359020153 SUMXOOCZLSFHCV-HXUWFJFHSA-N 465.348 1.954 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccccc2CN2CC[C@H](O)C2)CC1 1359045685 QBDVXVKRBPDGND-QFIPXVFZSA-N 450.587 1.421 30 10 JDEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)COC)CC1 1359123529 TZTVCIAFRHXZPB-UHFFFAOYSA-N 467.618 1.514 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1359126165 HLYWIRKDRUUDST-SFHVURJKSA-N 465.562 1.484 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(C)(C)C)nc1 1359240038 DMWRXQRYQPWZLL-QGZVFWFLSA-N 464.592 1.854 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1359326891 MDCVVNWPVGVBMM-JOCHJYFZSA-N 477.562 1.352 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)OC[C@@H]2C1 1359330406 QPFXVVRDRQLDSM-AWEZNQCLSA-N 451.936 1.840 30 10 JDEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1359344174 NZTRTDHYCHTPEB-UHFFFAOYSA-N 489.556 1.402 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(N(C)C)c1 1359473341 AHRHUZXPEBCMJO-LPHOPBHVSA-N 461.592 1.321 30 10 JDEE CC(C)NS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1360315179 DNHHZOCZNCTXSE-LJQANCHMSA-N 488.618 1.441 30 10 JDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1445499792 GZOSKRXGGGBQSY-MJGOQNOKSA-N 454.552 1.894 30 10 JDEE C#Cc1ccc(S(=O)(=O)N2CCS(=O)(=NS(=O)(=O)c3ccc(C)cc3)CC2)cc1 1463814322 ARDLJZGKNQXEOA-UHFFFAOYSA-N 452.579 1.838 30 10 JDEE C=CCN(C)C(=O)Cn1cc(I)c(=O)c(I)c1 1467291857 OOGCEUBSVFVFQJ-UHFFFAOYSA-N 458.037 1.702 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1507536467 DYSSCZVEUKHSMK-CTNGQTDRSA-N 462.602 1.917 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507630756 GWRNYQZWTRNHOF-IRXDYDNUSA-N 489.602 1.665 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCS(C)(=O)=O 1507651028 ZWNRBSUQHKDGLX-SFHVURJKSA-N 463.604 1.900 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(C)CN(C)C1=O 1507657629 URWRTJQZRKHWMD-AREMUKBSSA-N 459.598 1.194 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1507690883 YKWYFQAHOUAWKG-DENIHFKCSA-N 471.627 1.909 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnc(C(C)C)nc1 1507752394 ZTUXVGIFAFZAKJ-GOSISDBHSA-N 493.659 1.527 30 10 JDEE C#CCSCCn1c(N2CCN(C(=O)c3ccccc3O)CC2)nnc1[C@@]1(OCC)CCOC1 1507758380 MQXZYCNRCOTCMC-XMMPIXPASA-N 485.610 1.965 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)c2ccccc2)CC1 1507884810 MREPITJUWQTMLE-KNQAVFIVSA-N 461.588 1.675 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ncccc2F)CC1 1507885184 UJXZULZEOHPVOZ-KRWDZBQOSA-N 466.539 1.381 30 10 JDEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1508062912 TWWBUZJLJWJNCC-UHFFFAOYSA-N 452.559 1.529 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1508070935 GRGWSHGAQODFJB-UHFFFAOYSA-N 471.587 1.277 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C2CC2)C(=O)C1 1508077355 MJZUYWUPAIPWGQ-UHFFFAOYSA-N 465.377 1.882 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1508094710 JOXLJZPSPDCLBX-UHFFFAOYSA-N 470.549 1.416 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1508095537 XFLSHXFZYSULLF-UHFFFAOYSA-N 476.516 1.892 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1508133235 FTEMMHOCEQVVCU-OALUTQOASA-N 463.604 1.994 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1508139951 FLPMCLFKJZOLPP-ROUUACIJSA-N 491.618 1.171 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2nccs2)C1 1508144023 MHLAYJGLXQVFCG-QGZVFWFLSA-N 460.585 1.899 30 10 JDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1508166631 CLNIWRCCLZTZDD-QGZVFWFLSA-N 468.649 1.324 30 10 JDEE CC(C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)N1CCOCC1 1508868704 BEYDIWZSRPJCLU-WOJBJXKFSA-N 464.636 1.667 30 10 JDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H](C)S1 1512495066 ACEXICGNGUTMJF-IAGOWNOFSA-N 491.639 1.999 30 10 JDEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCS(=O)(=O)C1 1516342337 HUCBRNLMINRCMR-QZTJIDSGSA-N 475.571 1.809 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN(C)S(=O)(=O)CC 1539011835 HWBWIOGEBJHCME-GOSISDBHSA-N 474.635 1.582 30 10 JDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nnnn1CC1CC1 1539175938 DOLVODPUSOYLEO-UHFFFAOYSA-N 455.567 1.907 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1539206962 YEXCHXZDCZYHEO-OAHLLOKOSA-N 467.498 1.309 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1539210595 CUNHEBMZXYVWSN-GOSISDBHSA-N 484.969 1.767 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCS(=O)(=O)C1 1539312795 ZIDKDCXNKXSLLT-SFHVURJKSA-N 488.639 1.526 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCOC[C@@H]1OC 1539322954 BBNWVGSEHKVNBA-VXKWHMMOSA-N 463.586 1.967 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1c1cc(NC)ncn1 1539538631 KGGRMXZNVHQMDM-GSHUGGBRSA-N 487.634 1.381 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nncn2-c2ccccc2)CC1 1539873755 CSCAREOEYQFAKX-MRXNPFEDSA-N 456.576 1.920 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccc(F)cc1)C1CC1 1540108978 NBCGYRWDNJPDCU-UGKGYDQZSA-N 479.578 1.813 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1540858098 GUDYIRKWVOBROG-ATZDWAIDSA-N 465.551 1.903 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1540861941 MESVLUXAKCPPNC-UHFFFAOYSA-N 491.552 1.850 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(C(C)C)CC1 1540866356 KTQWIZFEYGLLOU-UHFFFAOYSA-N 450.551 1.144 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(c2ncccn2)CC1 1540875321 HYIZVAWYTVVRPG-UHFFFAOYSA-N 464.530 1.285 30 10 JDEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CC1 1548321640 BXQGESXCYWOQDG-QHCPKHFHSA-N 488.614 1.873 30 10 JDEE C#CC1(O)CCN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)CC1 1585305036 JBOMAGNORTYUAT-UHFFFAOYSA-N 458.584 1.667 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1588025125 SSIFDQFVCVDUGZ-FQEVSTJZSA-N 485.610 1.782 30 10 JDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1588035298 RBTSIWHIIPFAQP-GDBMZVCRSA-N 453.590 1.442 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1588069113 HMSJVKZACTXIJD-FQEVSTJZSA-N 487.626 1.873 30 10 JDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCOC1 1588245903 UXIIZCOOFDVCIT-AREMUKBSSA-N 462.598 1.257 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)n1 1588723036 IZUNRNXOZBXNEH-UHFFFAOYSA-N 488.552 1.158 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 1588864258 AZOUVZMLDONLLF-UHFFFAOYSA-N 472.977 1.875 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CCN(C(C)C)CC2)CC1 1588864926 MCFNBNLJTPRIEG-UHFFFAOYSA-N 485.658 1.260 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2nccn2C(F)F)CC1 1588890839 GHMWOURGKLJFFL-HSZRJFAPSA-N 491.543 1.924 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)N2CCOCC2)CC1 1588913530 LSSNEFLCHFCPEF-UHFFFAOYSA-N 453.591 1.360 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H]1CCSC1 1595497072 PCXYTWHVDYLUKY-INIZCTEOSA-N 464.617 1.439 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1595506816 NLOXUWWMQOGXKN-UHFFFAOYSA-N 451.531 1.875 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1595555786 HFDDSZFTXNPVMC-OAHLLOKOSA-N 468.455 1.815 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1595788748 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C#CCN(C(=O)N[C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 1629538950 WCRRGRULWVMNNR-AEFFLSMTSA-N 455.602 1.610 30 10 JDEE C=CCC[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)C(=O)OCC 1640863720 LVRWGACHUTWWRF-DOTOQJQBSA-N 450.513 1.638 30 10 JDEE C#CC1(F)CN(C(=O)[C@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)[C@@H](C)CC)C1 1644615690 HIIAVPFTCLCXSF-SUMWQHHRSA-N 457.955 1.919 30 10 JDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1649540287 CRQAXBHHMFELBB-FQEVSTJZSA-N 451.575 1.747 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)CC1 1668594897 NELJTQSNZMHDFY-UHFFFAOYSA-N 454.858 1.898 30 10 JDEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1689880247 WPLAEAHVOXADNW-UHFFFAOYSA-N 461.570 1.601 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CCNS(=O)(=O)CC 1690003322 KPQYPFWMKTUVBI-UHFFFAOYSA-N 450.362 1.720 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1690046005 VCLYOBAZTUTWGM-DHIUTWEWSA-N 460.582 1.983 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1690156057 RMYVLVQGWNNDAA-QAPCUYQASA-N 467.592 1.972 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1690182754 GFYGGWVMOMEEQF-IBGZPJMESA-N 481.630 1.904 30 10 JDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1690189013 SNWLMBAAUVFXTK-QGZVFWFLSA-N 479.632 1.049 30 10 JDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1690310269 ZCDCGMYWQJQUOP-GOSISDBHSA-N 481.557 1.126 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1690432719 JVWPTCUUFDDSML-OTWHNJEPSA-N 466.652 1.886 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1690725122 GKNLVBXSDMTXSE-QUCCMNQESA-N 460.604 1.022 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1690726555 DLGGRVPZMQYMJO-LJQANCHMSA-N 480.660 1.536 30 10 JDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCN(C)S(=O)(=O)CC)CCOC1 1696044613 AWFOQOYIGZUEGV-FQEVSTJZSA-N 454.597 1.342 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCCN1CCC[C@H]1CO)[C@@H]1CCS(=O)(=O)C1 1705563478 YJSXQAWXGQLDGJ-XZOQPEGZSA-N 496.637 1.680 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(C[S@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1705563696 CRWNBMJXARQLKA-KTBRYMIGSA-N 483.619 1.894 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1705588417 FBMCFDAANOEKCV-LBPRGKRZSA-N 491.927 1.805 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1705635775 KPTPFFPQVFYHST-JOCHJYFZSA-N 473.419 1.838 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccn(C)n2)CC1 1705639517 PYPNMKYJELSDCD-UHFFFAOYSA-N 468.606 1.930 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCS(=O)(=O)CC)CC1 1705652703 JSIFUQNSTIVBGL-RTBURBONSA-N 479.647 1.597 30 10 JDEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1705797187 RMJSQMHPVMXTDJ-AABGKKOBSA-N 473.599 1.491 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705805179 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C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1722412981 GLGIIILBLXDPJE-CEXWTWQISA-N 467.636 1.912 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCCS2(=O)=O)n1 1722428836 BURXZASCJMGONH-FPOVZHCZSA-N 490.630 1.622 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2ncn(C)n2)CC1 1722443754 NLLANHUGCPAKKF-UHFFFAOYSA-N 483.374 1.850 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@@](C)(O)c2ccccc2)CC1 1722445941 GKMGBAMKRCEYNE-RUZDIDTESA-N 461.570 1.942 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C(C)C)CC2)CC1 1722447446 LELVYYJXWAVFBP-LJQANCHMSA-N 492.646 1.013 30 10 JDEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722519793 LGXPDDQLIFIVJN-INIZCTEOSA-N 471.953 1.983 30 10 JDEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CC[C@H](S(=O)(=O)NCC)C2)cc1 1722705708 HKIZODLSKWGFAI-IBGZPJMESA-N 469.571 1.866 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1722730773 CHEMMZDDYQUHJA-BQFCYCMXSA-N 474.587 1.216 30 10 JDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722742073 HDLWEPCPYXLJAJ-FQEVSTJZSA-N 455.632 1.926 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1722747796 JYJCJOSZAQUYGK-LNVKXUELSA-N 478.557 1.622 30 10 JDEE CCN1CCN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 1728638203 HERSMNIDFXQTAM-HSZRJFAPSA-N 494.644 1.861 30 10 JDEE CCN1CCN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](NC(C)=O)C2)CC1 1728638204 HERSMNIDFXQTAM-QHCPKHFHSA-N 494.644 1.861 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1740589939 DAAPNMMZABGUEW-HXUWFJFHSA-N 484.586 1.242 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1740618036 AZALTQWBOMLETR-UWVAXJGDSA-N 454.618 1.453 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1CCN(CCN(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1740628515 YMFOKVJUQGWJGH-FCHUYYIVSA-N 492.690 1.420 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1740652658 IJYSLTHEIDXHIA-UHFFFAOYSA-N 464.551 1.232 30 10 JDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(Br)n1 1740679717 HZLXRZZRQUCTRM-ZDUSSCGKSA-N 471.381 1.180 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1740684337 NOAVDIVECVEKOG-SFHVURJKSA-N 463.542 1.193 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(NC(C)=O)nc2)CC1 1740692105 FDOWLQZYUVZMFH-DEOSSOPVSA-N 467.574 1.476 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC(=O)NCC2CC2)CC1 1740693473 ZELOIYNNOAZKPK-UHFFFAOYSA-N 457.376 1.989 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1740705907 NZTIQVWXBKHCRG-OALUTQOASA-N 469.615 1.559 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2COCCO2)CC1 1740707602 IQMRNEGDMVWGFR-NRFANRHFSA-N 467.570 1.855 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)CC)C1 1740751682 NPEXUOBCYBTNSJ-FAJBIJEISA-N 468.624 1.365 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1740825110 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467.617 1.828 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1N1CCOCC1 1760523015 JSMVCNCPHFCVOG-UHFFFAOYSA-N 450.547 1.454 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCOC[C@@H]1C 1761234162 FNQJRVRHGOEPOU-PKOBYXMFSA-N 452.563 1.682 30 10 JDEE C=CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2ccc(OCC)c(OCC)c2)[nH]1 1871596617 IMSHWUWYYKCBTG-UHFFFAOYSA-N 477.573 1.971 30 10 JDEE C=CCn1c(C(=O)NCCN2C(=O)CSC2=O)cc2c(N(CCOC)CCOC)ncnc21 1873596166 KBVVUEBDMQVZCJ-UHFFFAOYSA-N 476.559 1.142 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C2(CN)[C@H]3COC[C@H]2CN(Cc2ccccc2)C3)[C@H](C#N)C1 1881512598 NVJJZVSMHMDSPY-YPAWHYETSA-N 455.603 1.907 30 10 JDEE CC(C)N1C(=O)CS[C@H](C(=O)NCc2nc(N(C)C)nc(N(C)C)n2)[C@H]1c1ccc(C#N)cc1 1890177175 MIYSRCIIKQSTTI-UXHICEINSA-N 482.614 1.585 30 10 JDEE O=C(NCC#CCN1CCOCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(Cl)c1 1891306622 ATTIFBKFNLSIEU-QFIPXVFZSA-N 475.998 1.681 30 10 JDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3OC)CC2)CC1 1891390478 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1.409 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCS(=O)(=O)NC(C)C)CC1 1507719001 JQHGUWDZXBUSER-NRFANRHFSA-N 458.632 1.903 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2COCCO2)CC1 1507726718 KSTKTDUEFZXMDQ-LJQANCHMSA-N 476.375 1.790 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCn2cncn2)CC1 1507735540 YEEDIEVYMISGMQ-UHFFFAOYSA-N 492.584 1.998 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1507737180 ZKHCITYZYZAHRZ-FPOVZHCZSA-N 471.650 1.700 30 10 JDEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507962643 VHKSXDVIJATMQY-UHFFFAOYSA-N 469.590 1.222 30 10 JDEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)cc1 1508105668 RLCUEYAPXIHZKX-LJQANCHMSA-N 454.531 1.900 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1508142525 TXQJNGBMFXAMJH-SJORKVTESA-N 455.581 1.488 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1508145606 NHUWEOAHVWXJSJ-UTKZUKDTSA-N 495.596 1.905 30 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C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C)C1 1540897525 LKBPKHOCHKEQRH-OAHLLOKOSA-N 467.979 1.687 30 10 JDEE COc1cc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)ccc1OCC(N)=O 1543041063 DRYADXRYMZPXHR-HNNXBMFYSA-N 456.886 1.754 30 10 JDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)C)CC1 1548329764 AYUKZJNYDUEFCC-UHFFFAOYSA-N 473.603 1.640 30 10 JDEE C#CCNC(=O)CN1CCN(c2ncnc3c2cnn3-c2cccc(Br)c2)CC1 1559203987 OMJJHCZRRJXCCN-UHFFFAOYSA-N 454.332 1.449 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588024759 KZLSTRNMUNSXOM-LJQANCHMSA-N 476.647 1.405 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588041447 XGNYEZJPPXKUEU-RADWXHQJSA-N 460.556 1.120 30 10 JDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1588049199 BPVUCTSZYAJJTL-UYAOXDASSA-N 472.546 1.742 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC(=O)N2CCOCC2)CC1 1588791558 ZFZFQSRSSQSSMC-UHFFFAOYSA-N 480.613 1.984 30 10 JDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2Cc2ccc(C(N)=O)nc2)CC1 1588876788 JCKJMGJAYZVOPP-UHFFFAOYSA-N 477.594 1.876 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN2CCOCC2)CC1 1588899195 MKFWZXWXIVFBTC-FQEVSTJZSA-N 475.597 1.751 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(CC(F)(F)F)CC1 1593635915 CNHKJZJKSKQRMH-OAHLLOKOSA-N 466.530 1.262 30 10 JDEE C=C(C)Cn1c(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)nnc1[C@]1(OCC)CCOC1 1593684629 ZFWSQDVDDUBKOZ-QPPBQGQZSA-N 462.639 1.738 30 10 JDEE C=C(Cl)Cn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1593923735 QHXBMIXQZJNDBE-HNNXBMFYSA-N 460.922 1.155 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1595466971 NYDQKKLEUHFBNN-UHFFFAOYSA-N 492.515 1.216 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1595545400 XGXJQEVIKZSONG-SFHVURJKSA-N 456.522 1.576 30 10 JDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1595570180 ZMPDJYMEKKJDKU-LJQANCHMSA-N 471.650 1.882 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1595577339 PVVYYZOWQYGYSY-HNNXBMFYSA-N 491.390 1.884 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3nc(C)cs3)C2)nnc1[C@]1(OCC)CCOC1 1595602529 MILXUMGJPNJXOO-KKSFZXQISA-N 462.576 1.575 30 10 JDEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCN(C(=O)NCC)CC2)cc1 1595639625 FENYWNCCOFBDGF-UHFFFAOYSA-N 467.574 1.865 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 1596830512 CCQIXKUHAFEXTP-GDBMZVCRSA-N 452.581 1.643 30 10 JDEE CC(C)NC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1610016485 DDWUZNZFKUNMPA-UHFFFAOYSA-N 478.601 1.623 30 10 JDEE Cc1nccnc1N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CC1 1612454708 BCWGMQFCBFMYGI-UHFFFAOYSA-N 485.474 1.920 30 10 JDEE CN(C)C(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1617607206 GMCMJSLUNCPFIV-UHFFFAOYSA-N 484.362 1.717 30 10 JDEE CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)CCN(C)CC1 1620217499 BEZJZGXTIQCCME-INIZCTEOSA-N 469.681 1.846 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCN(C[C@H]4CCCO4)CC3)n2CC(=O)NCC(F)F)c1 1620348651 AWXAFCOMXDLHOM-GOSISDBHSA-N 459.501 1.499 30 10 JDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 1654717642 HPSAEXQBDFSTQE-UHFFFAOYSA-N 450.604 1.049 30 10 JDEE CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1656502795 CNLLJZUVGANXJX-UHFFFAOYSA-N 452.533 1.459 30 10 JDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)c(OC)cc1Br 1661513649 WRNTZWYGOGUMQQ-SNVBAGLBSA-N 456.767 1.922 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCS(=O)(=O)C1 1689846769 NIACNORFABCPCN-HUUCEWRRSA-N 450.590 1.131 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1689931940 MKLCDHMOPFNUFH-FCHUYYIVSA-N 487.626 1.862 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(OCCCOC)c2)CC1 1690124814 VBQVNOVNRDYOLY-OAQYLSRUSA-N 487.626 1.399 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCCCS(C)(=O)=O)CC1 1690142397 MYPQYKTUCMURNX-UHFFFAOYSA-N 458.588 1.521 30 10 JDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1690182704 DSYYJQCEAGKWDW-UHFFFAOYSA-N 461.551 1.752 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C)cs1 1690206211 JWJLKBNGMOBJGO-DNVCBOLYSA-N 450.590 1.416 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOC)[C@H](CCC)C1 1690288050 FPCSWKLDMVMREF-RTBURBONSA-N 470.640 1.124 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1690484736 CDECNZVTFVKWEK-LJQANCHMSA-N 490.634 1.311 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1690664329 PCEDJQIJGGDTBF-IBGZPJMESA-N 471.993 1.644 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1cnccn1 1690720892 UADLSBZMWPKBJB-UHFFFAOYSA-N 456.528 1.744 30 10 JDEE CN(C)S(=O)(=O)c1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1696621344 IEEXFYQPPTXEPV-OAQYLSRUSA-N 475.550 1.255 30 10 JDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1705538023 AXHOXNYCMWUHCQ-KRWDZBQOSA-N 469.615 1.472 30 10 JDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCS(=O)(=O)C1 1705552430 KTMUEDPYGQTLEE-SJORKVTESA-N 451.593 1.897 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1CCN(C(=O)OC)CC1)[C@@H]1CCS(=O)(=O)C1 1705565315 GUMYHHMKQQZWCF-LJQANCHMSA-N 486.598 1.754 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705568483 OJMTZYRGDWLPDY-DLBZAZTESA-N 469.608 1.745 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1NC(=O)CC1(C)C 1705582823 KHZOUDGCDFYQRB-MSOLQXFVSA-N 470.574 1.574 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1705638885 AQYQPLDEDHZKIB-GOSISDBHSA-N 492.646 1.335 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1705652003 NEGKFUNHTXZVPT-CYBMUJFWSA-N 496.581 1.150 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705656540 AOIJPDUVZDXFBI-QGZVFWFLSA-N 484.582 1.801 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1C 1705674358 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C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(C)(C)C(=O)NCC)CC1 1740695588 XYCZZMPCOKLMKJ-UHFFFAOYSA-N 490.612 1.592 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1740715001 BHDRSNGKDRLEAA-UHFFFAOYSA-N 466.571 1.020 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1740743395 VHSUZETZWVNXEO-KFWWJZLASA-N 469.384 1.505 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1740782717 MOAFWNOCURRZBZ-MSOLQXFVSA-N 464.596 1.237 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2O[C@H](C)C1 1740887048 AJWUICPRVKSCEH-NQIIRXRSSA-N 491.614 1.991 30 10 JDEE C=CCCOCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740888525 NXMFCJDGPURGMJ-KRWDZBQOSA-N 474.949 1.250 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2)CC1 1740993032 XJOAWEJLNGKZIA-LJQANCHMSA-N 493.655 1.498 30 10 JDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1747447364 BEWUVFCKMCABHR-VQTJNVASSA-N 490.586 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C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1749670711 VALOQRIBGFEZOW-TYPHKJRUSA-N 473.622 1.201 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CNS(C)(=O)=O)CC2)cc1 1749684145 RERRRFZBRJMTMV-HXUWFJFHSA-N 488.614 1.608 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1749731672 ICRNHXTXELYKKB-QUCCMNQESA-N 467.636 1.810 30 10 JDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1760151475 CQJLWWSVUOQPSO-UHFFFAOYSA-N 451.506 1.959 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1760189502 JKIYWIOCLCQNTC-KRWDZBQOSA-N 472.546 1.823 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1760251754 HJDFKKARAHNJEC-UHFFFAOYSA-N 472.553 1.431 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CCC[C@H]2C)n1 1760252438 NQAKHVSIIIVBII-JPYJTQIMSA-N 452.563 1.712 30 10 JDEE C#CCSCCn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760286775 VGRUJANPFPSWBE-DHIUTWEWSA-N 490.630 1.500 30 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30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@@](C)=O)CCC1 1359025070 BXYGIEZDPGDUHC-USXNREEHSA-N 495.646 1.974 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@@H]2CCS(=O)(=O)C2)n1 1359027390 HSLMSTSMOBRFAL-SFHVURJKSA-N 471.587 1.201 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2ccnn2)CC1 1359215948 MMPKWWDDSCMPTO-GOSISDBHSA-N 464.596 1.085 30 10 JDEE C=CCCCn1c(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359220937 NJJKJSCXRUQOKE-OFNKIYASSA-N 497.662 1.916 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(COC)n1)C1CC1 1359251512 NFBOEMWTHSDYCH-INIZCTEOSA-N 468.605 1.417 30 10 JDEE C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1359283621 HIQDFYABBSSCMI-SFHVURJKSA-N 480.573 1.688 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1359296521 LXAQLGHHDNSKII-IBGZPJMESA-N 451.575 1.380 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(F)cc2)C1 1359321269 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C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NCc1ccccc1 1507771859 FGXLSQNYAVZWOH-WMZHIEFXSA-N 455.584 1.879 30 10 JDEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(CC(=O)NCC)CC1 1507856232 FYDLFPMTBBKTRL-UHFFFAOYSA-N 478.981 1.982 30 10 JDEE C=CCOc1ccc(Cn2c(N3CCO[C@@H](C(=O)NC)C3)nnc2[C@@]2(OCC)CCOC2)cc1 1508104429 LCWMPOMSZZVHSL-HYBUGGRVSA-N 471.558 1.495 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCN(c2ccccc2)CC1 1538970166 AJECWXYGCSPLKD-UXHICEINSA-N 473.647 1.559 30 10 JDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1539066174 QCWDCTHDMUSTRF-UYAOXDASSA-N 455.607 1.602 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1539210802 FAJGICVVDJEPRK-KRWDZBQOSA-N 463.991 1.997 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN1CCN(C)C(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1539215928 LPIYTKMSRNCUQZ-FQEVSTJZSA-N 485.658 1.301 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1539615808 MEOZPONVBIFHLA-MKXGPGLRSA-N 482.651 1.563 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1539891103 XVGIROGVHZFVDI-SVFBPWRDSA-N 496.678 1.513 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1540872505 RLVXOVOCAKCMPN-KBPBESRZSA-N 455.531 1.707 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccccn2)CC1 1540874724 PRUHMRCGTBEHKS-UHFFFAOYSA-N 458.526 1.753 30 10 JDEE CCN(CC)C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1547486998 GCBJRLZQEIHSME-OAQYLSRUSA-N 481.601 1.756 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCC2)C1 1552885110 HWCLGLFGFDRCON-HXUWFJFHSA-N 457.604 1.773 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1588029373 HBLYCAPSUAZLOH-CTNGQTDRSA-N 492.690 1.944 30 10 JDEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1588054674 PJQKGVJIEXFILW-LJQANCHMSA-N 457.604 1.879 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC2(C1)OCCO2 1588595371 RMEQYDSHGFIFQX-GOSISDBHSA-N 474.583 1.978 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1589496297 XMUNLUBDWCOOQF-TWMKSMIVSA-N 494.584 1.942 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1594626274 LQTBOKFVHAXRQS-WMZOPIPTSA-N 454.597 1.024 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1595290146 AVNYENMPYJNZSY-MRXNPFEDSA-N 451.531 1.592 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)N1CCOCC1 1595658376 BSPYZUNHNJZSFZ-SFHVURJKSA-N 454.531 1.137 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(O)c2)C1 1595730336 VUBYEXPNMOBASS-MOPGFXCFSA-N 463.560 1.146 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C(N)=O)C1 1595760613 RBGFGWRWLIMIEO-GJZGRUSLSA-N 467.979 1.984 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](COc2ccccc2)C1 1595788750 ITFBUXYFLZJDHG-RBUKOAKNSA-N 475.571 1.114 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1595798028 LMUFHAKNODRTTN-AVRDEDQJSA-N 494.639 1.533 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1ccc(N(C)C)nc1 1611664342 CCPLUKVQWOYDMG-INIZCTEOSA-N 468.587 1.906 30 10 JDEE CCN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1615088639 BUFLSEOEDLEODR-UHFFFAOYSA-N 478.601 1.576 30 10 JDEE N#Cc1ccccc1N1CCC(NC(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)CC1 1634973201 CXQGICDSFFFJSZ-NZQKXSOJSA-N 450.514 1.987 30 10 JDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCc2ncc(Br)n2C1 1648684572 BDIMQPJMJXUBAI-YPMHNXCESA-N 452.334 1.315 30 10 JDEE CCNS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1678721938 HZRUAFMRYZFNPE-FQEVSTJZSA-N 455.540 1.457 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(C(C)C)C1 1689853663 XBXXESIKASAHQM-FHWLQOOXSA-N 452.625 1.189 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1689978167 OFMMVXXRCJGDEA-SFHVURJKSA-N 475.619 1.222 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1689996026 CJSIOYKSJSKKMP-IBGZPJMESA-N 473.628 1.774 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1690141721 BDIOQFCIJYPZON-IBGZPJMESA-N 493.534 1.892 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1690175418 WZIZMMYWSWTBLD-KRWDZBQOSA-N 471.612 1.764 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)C2CC2)CC1 1690236583 OTFPEOQFGGRUSM-NEWSRXKRSA-N 480.635 1.318 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1690312778 CMLKMXCLHMMCOP-OTWHNJEPSA-N 455.625 1.318 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CCC[C@@H]1NC(=O)NC1=O 1690569081 CFTIIQSYIGMHLU-SJORKVTESA-N 455.494 1.549 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690663352 UECPVCDXYGVXDQ-LJQANCHMSA-N 454.531 1.084 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690726752 KIFILMJRQVATAF-IBGZPJMESA-N 491.639 1.895 30 10 JDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCN1CCOCC1 1705514874 LIDNQYMDYZJCRQ-UHFFFAOYSA-N 459.620 1.810 30 10 JDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1705532556 BYWCNMRHIXDWPX-AQNXPRMDSA-N 455.607 1.460 30 10 JDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCN(CC)CC1 1705551966 TXOJMWGNNXXGEV-WOJBJXKFSA-N 475.638 1.682 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(NC(C)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1705563016 OWMPNZPKDJADLF-HXUWFJFHSA-N 494.577 1.982 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705563522 YYXBRWATGISESM-WDUKFBBWSA-N 482.965 1.904 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1NC(=O)CC1(C)C 1705582824 KHZOUDGCDFYQRB-QZTJIDSGSA-N 470.574 1.574 30 10 JDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1705652369 WYVOZHQHULFXAZ-QZTJIDSGSA-N 455.650 1.789 30 10 JDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705654835 VDGAUNJADUOYKU-UHFFFAOYSA-N 465.583 1.356 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(C)on2)CC1 1705697779 NRNUPOQLKJWQJJ-NSHGMRRFSA-N 493.634 1.488 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCOC)CC1 1705700884 ZTLHIPDGOWOZRB-HBFSDRIKSA-N 468.620 1.793 30 10 JDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)CNC(=O)C2)c1ccccc1 1705741045 DUKRKSUWSWMGEQ-QGZVFWFLSA-N 458.588 1.708 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1705905012 GJVQKQIJHYVTOV-UHFFFAOYSA-N 457.554 1.940 30 10 JDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C1 1706034825 HOOWZNGTLQJHAD-HXUWFJFHSA-N 470.599 1.994 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H](C(C)C)N2CCOCC2)c1 1722305335 GNIOIOWTLPXNCU-JOCHJYFZSA-N 495.628 1.829 30 10 JDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1722334508 YERVNRQJFGXCSG-HXUWFJFHSA-N 467.599 1.492 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1722358664 DYDYEMUJJUTWGZ-XMSQKQJNSA-N 460.556 1.386 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1722366317 QYFGAEQKPSDVNR-SJORKVTESA-N 477.562 1.662 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(F)c1)N(C)C 1722429116 NTVYDXBKMVOMFA-UYAOXDASSA-N 463.579 1.708 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)N(C)c2ccccc2)CC1 1722447858 OCIAXQQOENCACA-GHTZIAJQSA-N 463.586 1.720 30 10 JDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1722455329 RESUXXMHPJBEOG-UHFFFAOYSA-N 451.512 1.876 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1722460371 XQPYMWNRAMZXJV-MRXNPFEDSA-N 492.627 1.242 30 10 JDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1722477206 QLWWQGGFTJPLES-HZPDHXFCSA-N 483.411 1.790 30 10 JDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)NCCCOC)CC1 1722521553 OKWZPZQFSVXDED-UHFFFAOYSA-N 465.562 1.866 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(CC(F)F)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722704633 WAFWLADUYPJHRL-IYBDPMFKSA-N 483.564 1.738 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2[C@@H]1C 1722724012 KRUNSRDUCBXMID-CVEARBPZSA-N 467.617 1.613 30 10 JDEE CC(C)C(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 1723089729 DYPMYEMIMNPKRE-FQEVSTJZSA-N 499.641 1.541 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@]1(C)CCCO1 1723951572 CQHOLSHYCDLZBW-ZHRRBRCNSA-N 491.593 1.795 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1740561792 BVENEMPDFQAIEV-OALUTQOASA-N 471.583 1.663 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C/C=C\c1ccccc1)[C@H]1CCS(=O)(=O)C1 1740617792 XKVQNFRKWRYGCZ-FMISOVINSA-N 477.612 1.228 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(OCC(=O)N(C)C)c1 1740653241 FQUXHMWRBNSJRI-UHFFFAOYSA-N 488.548 1.984 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1740691226 XKICGAQYIKNSPP-SFHVURJKSA-N 491.589 1.252 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2CC(=O)N2CCOCC2)CC1 1740707421 BHAKSAYYOSXXTF-UHFFFAOYSA-N 494.596 1.244 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC(C)(C)C1 1740759749 DNMSCKCSYAZEIB-QYZOEREBSA-N 497.662 1.986 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1740888790 WKGVJGAYYDWLPI-QZTJIDSGSA-N 453.609 1.514 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](OCC)C1 1740960682 XQJANKJQMIAIEU-ROUUACIJSA-N 478.594 1.894 30 10 JDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740963158 BCWJQFJZHIZFGX-UHFFFAOYSA-N 485.614 1.444 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccnn2)CC1 1740996528 OMOTZLMZGBCTGO-UHFFFAOYSA-N 451.560 1.961 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1741011033 FFZAUZDIGXGEKH-XUTLUUPISA-N 452.519 1.247 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCN1CCOCC1 1748842320 KSVDHPFTRNFRSG-UHFFFAOYSA-N 473.581 1.860 30 10 JDEE COc1cccc(C2(Cn3c([C@@H]4CN(S(C)(=O)=O)CCO4)nnc3N(C)C[C@@H](C)C#N)CC2)c1 1748898022 DHNQUCJAFVZUBJ-PXNSSMCTSA-N 488.614 1.947 30 10 JDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(N2CCOCC2)CCSC1 1748901231 UAQWMNDDPGONEY-XMMPIXPASA-N 467.643 1.811 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(SC)cc2)CC1 1748988924 CVRNZOBYJXUWJA-IBGZPJMESA-N 459.641 1.900 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1749010039 ZTKGTDFQQDOQNN-HXUWFJFHSA-N 466.634 1.513 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@H](C(=O)NC)C1 1749655141 DLBSGZPKMTUCHZ-AWEZNQCLSA-N 491.390 1.981 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1749669717 JMMVMPFCAIRUFK-LJQANCHMSA-N 470.549 1.966 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1749677727 JAYAJGSNNXWDBA-NRFANRHFSA-N 495.628 1.519 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749741380 ZYLMONOGZVGVTB-UHFFFAOYSA-N 498.613 1.116 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](COC)C1 1749755331 FTPPLXIDHZSJBK-ROUUACIJSA-N 473.665 1.783 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCNC(=O)C1CC1 1750962291 DKXALTRAFHTHCZ-UHFFFAOYSA-N 464.574 1.531 30 10 JDEE C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1)N(C)C 1751142686 GGBWVEDYOMYFOJ-LAUBAEHRSA-N 487.630 1.602 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCC(=O)N2CCOCC2)c1 1760126316 USEKIPQVGLEMLP-UHFFFAOYSA-N 473.537 1.645 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1760182005 AIMCGVFMALVQFH-SFHVURJKSA-N 461.975 1.751 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760190515 XFXKSJUBEGPASD-FQEVSTJZSA-N 458.588 1.079 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1760191711 MGXVRSSQVGZNCA-SFHVURJKSA-N 456.597 1.898 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1760233012 HORXERONAUDKCK-VQTJNVASSA-N 478.594 1.513 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccccc2c1OC 1760233181 JZXNGBHDMNMVFA-IBGZPJMESA-N 473.555 1.874 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1760259628 DZBYLJUIVBIVNW-OALUTQOASA-N 471.606 1.632 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCOC(C)(C)C)CC1 1760268704 OONKHGDJXMAYLA-UHFFFAOYSA-N 456.547 1.787 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1760333426 FQOUUGQTOVWILU-RVDAZCDBSA-N 474.606 1.578 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1760346264 QCIKLPLLKCRMDT-AABGKKOBSA-N 456.572 1.931 30 10 JDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1760509582 QPZCSNSGBUGRJI-UHFFFAOYSA-N 464.574 1.368 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1760519861 RUNYLIWFSGISRZ-JOCHJYFZSA-N 467.618 1.479 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1760519862 RUNYLIWFSGISRZ-QFIPXVFZSA-N 467.618 1.479 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1760522792 YXDFTYCBDDKUCQ-FQEVSTJZSA-N 466.567 1.648 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(NC(=O)OC)c2)C1 1760534892 IJEHTKPVMWRFGB-MAUKXSAKSA-N 478.575 1.896 30 10 JDEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)c1=O 1765337352 DXVGDSRFYMZAST-UHFFFAOYSA-N 461.526 1.342 30 10 JDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1769302155 HCKLKRYIIRMAET-PMACEKPBSA-N 479.564 1.735 30 10 JDEE COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1771117089 BFZJQGZLMSLYHC-LJQANCHMSA-N 460.560 1.094 30 10 JDEE C=CCN(CC=C)C(=O)[C@@H](C)NC(=O)c1ccc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 1868808652 CMMRILKFCGPJQQ-DENIHFKCSA-N 474.627 1.315 30 10 JDEE CC(=O)N1CCN(C(=O)c2ccc(C(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)cc2)CC1 1891977835 AZNICSBJMWXWTP-FQEVSTJZSA-N 462.510 1.336 30 10 JDEE C=CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3ccc4c(c3)c(=O)n(C)c(=O)n4C)ccc21 1892004541 LKAARDKXXNKNKJ-UHFFFAOYSA-N 498.561 1.976 30 10 JDEE C[C@H](CCNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2255931307 IZMYEYUWZAQCMH-CQSZACIVSA-N 455.386 1.962 30 10 JDEE CCON(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267129159 XRNHGMNWRSCYRN-UHFFFAOYSA-N 450.345 1.732 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CO)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267361432 BOUQWKCGSFAEJV-ZDUSSCGKSA-N 474.360 1.289 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2267371049 UWXBUKMWUHCIAL-RNODOKPDSA-N 468.385 1.007 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H]2C[C@H](C1)N2C(=O)OC(C)(C)C 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CC1(C)OB(c2cc(C(=O)N3CCC[C@@H]4CC[C@]43CNC(=O)C(F)(F)F)[nH]n2)OC1(C)C 2281991307 YKRSPIFLKCMQFK-BLVKFPJESA-N 456.274 1.772 30 10 JDEE Cc1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2282316029 WWBSAAYVGLWFDM-IAGOWNOFSA-N 482.408 1.865 30 10 JDEE Cc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H](O)C2)c1B1OC(C)(C)C(C)(C)O1 2282559203 NUXWSZQAYZKUDA-OAHLLOKOSA-N 464.372 1.082 30 10 JDEE Cc1cnc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1 2282648363 NFKDKUDERLZXDY-DLBZAZTESA-N 461.368 1.789 30 10 JDEE CCC[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282872554 YHQFNNFCALLKJB-HNNXBMFYSA-N 486.444 1.999 30 10 JDEE CN(Cc1ccccc1)C[C@H](NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284410685 DHRBBWLFCLLKTJ-FQEVSTJZSA-N 474.388 1.849 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1 2285212537 JIQYCPWJPSAAOB-OAHLLOKOSA-N 461.368 1.789 30 10 JDEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccn2)c(OC)c1 2296611991 NCGARYOADQTCRZ-NRFANRHFSA-N 453.495 1.853 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)n1C 2337330610 RBBUBZVLDSCOEJ-UONOGXRCSA-N 450.345 1.050 30 10 JDEE CC(C)(C)OC(=O)N1CC(OCCNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2362284829 RNQMUASCEFZHQM-UHFFFAOYSA-N 483.396 1.295 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)n1C 2362337979 ZYIHSDHNLDPLSA-JOCHJYFZSA-N 464.372 1.129 30 10 JDEE C=CCN1C(=O)N[C@H](c2cccc(Cl)c2)C2=C1CN(CC(=O)NCCN1CCOCC1)C2=O 34792279 MJSBYYCDTVXECN-OAQYLSRUSA-N 473.961 1.137 30 10 JDEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2N)cn1 59914162 CGZGWDCYCBPXLB-ODCIPOBUSA-N 463.955 1.973 30 10 JDEE CCOc1ccc([C@@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72444384 XSPSWUMWOSENOS-IRXDYDNUSA-N 451.483 1.736 30 10 JDEE C[C@H]1CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)/C(=N\c2cccc(S(=O)(=O)N(C)C)c2)S1 101277799 AANHFGGLRXXWAX-OCXMVEDOSA-N 493.611 1.753 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)cc2)c(=O)n1CCN1CCOCC1 514647825 GLMKWPAFVNSOLV-UHFFFAOYSA-N 480.634 1.345 30 10 JDEE C=CCNC(=O)CN1CCN(c2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])CC1 619512470 QXPHGDBPTNPVTN-UHFFFAOYSA-N 459.528 1.820 30 10 JDEE C#CCN(C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)[C@H]1CCS(=O)(=O)C1 729331605 QRYBVHFXWKIBCG-NRFANRHFSA-N 472.588 1.696 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2C1=O 757732528 HNCTWSVPFGNNHZ-HNNXBMFYSA-N 465.462 1.592 30 10 JDEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)NCCN1CCc2ccccc21 919013632 GFKWBIOJKSMBDY-MHZLTWQESA-N 488.544 1.874 30 10 JDEE CCc1nnc(CN(C)C(=O)CSc2n[nH]c(NN=Cc3ccc(C(=O)OC)cc3)n2)o1 1084582784 MEHZKEZPVNSWGY-UHFFFAOYSA-N 458.504 1.733 30 10 JDEE COc1ccc(C=NNc2nc(SCCN3CCOCC3)n[nH]2)cc1OCn1cccn1 1084586680 LOGJURWYMWYXDN-UHFFFAOYSA-N 458.548 1.917 30 10 JDEE C#CCC1(O)CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(OCC)cc2)CC1 1175853757 IAGXRBMQENCMAT-LJQANCHMSA-N 454.614 1.862 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N1CCOCC1 1286275485 SJBBMOIACUMVLJ-NSHGMRRFSA-N 460.604 1.420 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cc(C)oc1C 1286296481 PJXRTSAFLGQFFZ-FIKMYACPSA-N 465.576 1.186 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCN2CCN(C(C)=O)CC2)c1 1286311073 JQCVCKYYWDVMRH-JOCHJYFZSA-N 493.612 1.392 30 10 JDEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286342217 OGYPGVVJCOGSEP-ZWKOTPCHSA-N 466.542 1.377 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 1286386195 WFLPEXQSFTZKLE-WBVHZDCISA-N 483.591 1.011 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OCCO)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286387512 RYQTWMMJNBGIIE-GOSISDBHSA-N 485.566 1.328 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1286390666 DOBRYATWGIOZIF-LJQANCHMSA-N 487.626 1.471 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1286394927 QFHDYFJJWCVHJL-ZWKOTPCHSA-N 458.588 1.308 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CCS(=O)(=O)CC1 1286439325 OSHKDDRDCLQFEE-UHFFFAOYSA-N 488.639 1.526 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1286494376 MXCGCLQOUPEEOO-NRFANRHFSA-N 498.653 1.311 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)N(C)C)CC1 1286545995 DXMZMLUFUHCUDM-KPFFTGBYSA-N 482.651 1.564 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1286599772 CRMIFQBGSFAAGA-MRXNPFEDSA-N 484.026 1.856 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCN(C)C(C)(C)C2)CC1 1286663243 JLXASJSKSOVKTH-IBGZPJMESA-N 450.653 1.609 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1286750666 FKDGAPDCEXUVHA-WOJBJXKFSA-N 453.595 1.591 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286783051 FECMLILXMODCJX-CYBMUJFWSA-N 486.367 1.772 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(CC(N)=O)CC1 1286788087 PLXJBZOOTZJTSB-SFHVURJKSA-N 489.621 1.787 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)OCC)CC1 1286821533 OKVCUPJLAOISIS-UHFFFAOYSA-N 465.551 1.887 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)CN1CCN(CC)CC1 1300287017 RYPVWPIHBHLUPD-WOJBJXKFSA-N 462.606 1.652 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1300364056 HNPNIEWBBOZWAJ-RBUKOAKNSA-N 462.620 1.566 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1300705991 GETXVFPCFWLDNN-JOCHJYFZSA-N 471.650 1.293 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1300722376 JIWOERGYYODXMJ-IRFCIJBXSA-N 456.591 1.646 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N1CCN(c2ccccc2)CC1 1300913091 QKDVZMCDRCZOCU-HXUWFJFHSA-N 451.575 1.980 30 10 JDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1300971953 CRAQFNGRORHCGY-KRWDZBQOSA-N 466.583 1.739 30 10 JDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1301174209 OMSUWUQJGOIEKO-VBKZILBWSA-N 467.596 1.059 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CCCO)CC1 1301501517 YPADSERZUXBRJI-UHFFFAOYSA-N 468.606 1.743 30 10 JDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(N2CCOCC2)c1 1301799436 DHQPRRBNZFLPCF-UHFFFAOYSA-N 467.574 1.765 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](N4CCCC4=O)C3)n2CC(=O)NCC(F)F)cc1 1316529411 DTLAVLMZDJPDGN-KRWDZBQOSA-N 457.485 1.789 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1358966117 ICGBFMUCRLXCDO-SFTDATJTSA-N 473.647 1.641 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358967401 JQYFQOXFWASCDY-UXHICEINSA-N 463.579 1.883 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCCO2)CC1 1359040047 GFSOVVOSPMWXQY-GOSISDBHSA-N 451.531 1.460 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOc2ccc(OC)cc2)CC1 1359044701 MGGUVAXDSHCEBL-NRFANRHFSA-N 480.569 1.673 30 10 JDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1359056918 NSOFQBCRSRNSAU-PCCBWWKXSA-N 474.675 1.775 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1359280783 DPTDFSQSHLQDLM-MRXNPFEDSA-N 472.571 1.266 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCCO1 1359343726 ZLTZOLNTKKNMAX-IRXDYDNUSA-N 459.638 1.536 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2[C@H](C)SC[C@H]2C(=O)NCCC(=O)OC)c1 1468776123 NCFUGTXLEQRWOU-YOEHRIQHSA-N 452.554 1.067 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Cl)ccc1OC 1507617697 YQCNIAYLQJSWET-KRWDZBQOSA-N 453.952 1.391 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC=C 1507691328 FRFOUFAXHABCOD-KRWDZBQOSA-N 467.592 1.647 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CCC1 1507701044 XSAISBIYZYIJEU-MRXNPFEDSA-N 497.618 1.635 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2c[nH]c3ccccc23)CC1 1507735483 AUXROGDPWZFKCO-QGZVFWFLSA-N 497.625 1.578 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C(C)C)N2CCCC2)CC1 1507738668 URVLUKZGQBQWGY-OAQYLSRUSA-N 452.607 1.765 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)(C)C 1507796973 KAONMDFQUIJGLB-RYRKJORJSA-N 453.609 1.512 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1507801882 YQHMKDJKCXJPIJ-KPFFTGBYSA-N 480.635 1.509 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)NCC2CC2)C1 1508122112 CIOUULPVJIUEHQ-RTBURBONSA-N 490.605 1.894 30 10 JDEE CC(C)N1CCC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CS(C)(=O)=O)CC1 1509546294 BDMIWJDQKLGHNO-GOSISDBHSA-N 474.631 1.921 30 10 JDEE COCCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1519161838 BIEHIZHWMNUIGJ-JOCHJYFZSA-N 452.519 1.027 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@@H]2COCCO2)cc1 1521109861 HOVCQAXPECMEMH-IAGOWNOFSA-N 453.421 1.912 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1539043843 VCAKOYUJAVJOCA-QHCPKHFHSA-N 471.583 1.542 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1539230151 KTIMMPKTWQUWMG-GOSISDBHSA-N 450.634 1.908 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CN2CCOCC2)CCCCC1 1539267069 WDQFPBKQBLQFHE-NRFANRHFSA-N 473.643 1.536 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CN(C)C)c1 1539325167 CUBOTBQGWJMYMW-JOCHJYFZSA-N 484.626 1.184 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1539454042 VCDINTQRTIZSDD-UHFFFAOYSA-N 467.574 1.313 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCc3cccnc32)CC1 1539467523 TVIMMKGPCCXIRV-FQEVSTJZSA-N 463.586 1.897 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCOCC(F)F)CC1 1539474594 VBIDGCJJJFORDU-UHFFFAOYSA-N 461.469 1.921 30 10 JDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1539491417 POFLJIJTUVXYPD-UHFFFAOYSA-N 476.647 1.638 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](CC)C1 1539631099 ITQRWRNDYBBRCS-NCYKPQTJSA-N 481.663 1.708 30 10 JDEE CN(CCOc1cccc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)c1)C1CCOCC1 1542774076 AGJFJBWNNXHSMF-UHFFFAOYSA-N 455.515 1.017 30 10 JDEE C[C@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1545145217 CTJAJVRSERAKFR-ZHRRBRCNSA-N 474.587 1.217 30 10 JDEE CO[C@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1555197417 GTOZQTDHPRBYRZ-UGKGYDQZSA-N 468.558 1.885 30 10 JDEE C=CCN1CC[C@@H](N(C)C(=O)c2c[nH]c3ccc(I)cc3c2=O)C1=O 1556383628 WSTUOCLUAAYZJE-OAHLLOKOSA-N 451.264 1.992 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N2CCCCC2)C1 1587860852 CFHAKNARDZAKEQ-MOPGFXCFSA-N 450.609 1.089 30 10 JDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1587878845 HGPZUOJSBLZIGS-QFIPXVFZSA-N 469.571 1.498 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588035624 WGRSWMZVWFZUTQ-FXAWDEMLSA-N 478.018 1.946 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1588040551 OJNLUYCJTCIWHX-GOSISDBHSA-N 470.555 1.371 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1588045768 QHJSKVICCFJDLI-INIZCTEOSA-N 470.555 1.769 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588050105 PAVXBOMWZIDRGJ-QGZVFWFLSA-N 489.602 1.619 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1588053333 CNTYDWMLAOEUFV-PMPSAXMXSA-N 451.618 1.388 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1588065354 XICCAEMBCYUKTH-OAQYLSRUSA-N 478.578 1.232 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(N(C)C)CCSC1 1588595084 MVGMCPIFLYKWPL-JOCHJYFZSA-N 477.656 1.872 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(N3CCSCC3)CCCCC2)CC1 1588733650 XMIZJWUBVWOCRY-UHFFFAOYSA-N 473.691 1.923 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCCC(=O)N(C)C)CC1 1588763121 RUNNWZNEWQDNRK-UHFFFAOYSA-N 470.574 1.595 30 10 JDEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1589317733 TYZWEPWNLZQZEF-IBGZPJMESA-N 480.388 1.974 30 10 JDEE C=C(Br)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CCOC)CC1 1589381478 DBLMFFRKCVYJES-UHFFFAOYSA-N 498.451 1.915 30 10 JDEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1593799795 DUDRYERJYIXCSE-KRWDZBQOSA-N 452.003 1.692 30 10 JDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1594819936 PIFBOQXOHFFNMU-UHFFFAOYSA-N 467.574 1.128 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1595501474 VKXWKCFWAHRRGL-GFCCVEGCSA-N 465.377 1.882 30 10 JDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(CCS(C)(=O)=O)C1CC1 1595530080 RXDGIJREVXYBQJ-UHFFFAOYSA-N 456.572 1.752 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1595556036 MKVRYZVKOZRKBD-SFHVURJKSA-N 460.604 1.245 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1595594143 KYBHFPRSZKJADK-AVRDEDQJSA-N 499.591 1.287 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1Cc2ccccc2O[C@H](C)C1 1595824154 XHHWNLVSPZOGDF-QGZVFWFLSA-N 459.572 1.789 30 10 JDEE COc1ccc(NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3NS(=O)(=O)c2ccccc2C#N)cc1 1616125409 DKZKAGNIIRFQIL-HNBVOPMISA-N 459.480 1.629 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)C1=O 1634691352 XXQQSLHGJLVYFZ-UHFFFAOYSA-N 456.480 1.080 30 10 JDEE C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3cccc4cc(C)cnc34)CC2)C1 1638392664 JZEUNUJLJUWPKN-FQEVSTJZSA-N 455.584 1.657 30 10 JDEE C#CCN(C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C)C1CCN(C(=O)OC(C)(C)C)CC1 1651973669 SIXQZVOWYVTVRS-UHFFFAOYSA-N 457.531 1.051 30 10 JDEE CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)ccc21 1671755842 BSZRLGRGXKBLID-YWZLYKJASA-N 451.570 1.280 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CC)CCC(F)(F)F 1689852890 MAVPQDSGJMDHON-HOTGVXAUSA-N 480.557 1.343 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1689966073 KMMXHYIGSKOANZ-NHCUHLMSSA-N 457.600 1.541 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CCS(=O)(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689986535 RWUMPWHCNSKCCW-SFHVURJKSA-N 464.613 1.785 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1(O)CCN(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1689989835 JCMBDLGOQBIUNK-LJQANCHMSA-N 465.664 1.729 30 10 JDEE C#CCN(CCOC)c1nnc(COc2ccc(Br)cc2)n1Cc1nnn(C)n1 1690106052 INQWOITYIKLJHK-UHFFFAOYSA-N 461.324 1.277 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCCC2(C)C)CC1 1690150248 AJLLCGZHTRZMJQ-DEOSSOPVSA-N 456.591 1.308 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690255382 QNTCOXWAAPQBKB-BHIYHBOVSA-N 453.609 1.971 30 10 JDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1690326858 FFJUVPZVFKSJMQ-UHFFFAOYSA-N 463.004 1.046 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1690508530 KNWHWCQURMMXDL-ZWKOTPCHSA-N 499.634 1.503 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cccs1 1690596856 CADSPRMVQFKYGX-OXQOHEQNSA-N 467.617 1.759 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1690667123 QUSARBMDHDCPGO-UHFFFAOYSA-N 474.009 1.891 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](N2CCCCC2)C1 1690714594 PQINPBWKVOHBNT-SFHVURJKSA-N 473.603 1.591 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1690723831 BVFPZKLYIXHQPB-QHAWAJNXSA-N 480.679 1.378 30 10 JDEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1690947768 HKUGXYYIIDNKTF-HXUWFJFHSA-N 485.614 1.451 30 10 JDEE CCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CC(=O)N(CCOC)C2)c2ccccc2c1=O 1695900363 GFNDAEOZXRNFKT-ROUUACIJSA-N 492.584 1.766 30 10 JDEE CCOC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1696383670 CIFGKAFXRCGPAD-LJQANCHMSA-N 489.598 1.531 30 10 JDEE COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1697452750 CUQCLCCOWQDOJI-KNQAVFIVSA-N 474.587 1.798 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705560140 DOIFJGVRQCVXDQ-OYDLWJJNSA-N 494.658 1.888 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1705560312 FUNJMYJWWULZBH-CEXWTWQISA-N 464.975 1.765 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CC(=O)NCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705571124 VZSRJDDINOXELI-JOCHJYFZSA-N 492.605 1.250 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N(C)C)CCOCC1 1705591025 DBDJUBFGFRXJAF-UHFFFAOYSA-N 469.611 1.922 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CCOC 1705598164 CMDYRVAZDVVVAI-SFHVURJKSA-N 451.593 1.137 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1705634372 SRACMRRJSZUEDO-LJQANCHMSA-N 488.614 1.142 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2nncn2CC)CC1 1705636680 UFFSOHPAEYGJBK-UHFFFAOYSA-N 450.547 1.767 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1705642106 HGOCCKNABUTQRX-UHFFFAOYSA-N 491.621 1.823 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@](C)(O)c2ccccc2)CC1 1705648385 SQNVUPARZBVGRA-NBGIEHNGSA-N 499.637 1.444 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)N2CCOCC2)CC1 1705652925 SFZNEDFAXOETPE-TZIWHRDSSA-N 486.617 1.021 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](c2ccco2)N(C)C)CC1 1705769079 IGADCGXYRBRQQM-MJGOQNOKSA-N 464.592 1.663 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cccnn2)CC1 1705890716 DJNDIVKJXZTDMZ-KRWDZBQOSA-N 456.551 1.889 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1705891105 ZWDMXMYYCIXDOD-SJLPKXTDSA-N 451.549 1.878 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCC(=O)N2)n1CCCC(F)(F)F 1708152213 AMNQEHZIDDNIMQ-ZIAGYGMSSA-N 463.468 1.948 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1722316066 APVWEADWXITOMO-QGZVFWFLSA-N 486.598 1.525 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(O)CCCCCC1)[C@H]1CCS(=O)(=O)C1 1722371073 SWSNJGUZGLMIKH-UFYCRDLUSA-N 480.631 1.714 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cnn(CC)c1 1722385586 LLHACRWDKLRTBG-UHFFFAOYSA-N 456.598 1.980 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CCS(=O)(=O)CC1 1722428635 ZHCJMVKTTNNGHF-KDURUIRLSA-N 495.646 1.960 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CC(F)(F)CO2)CC1 1722444052 SXNVHGNGUCPQKV-UWJYYQICSA-N 467.517 1.320 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2ncc(C)s2)CC1 1722444774 NTYKVIVOPJNXLQ-GDBMZVCRSA-N 493.659 1.423 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCN(C)[C@H](C)CC)CC1 1722445958 GXCCKLJQDUXGKB-QGZVFWFLSA-N 469.590 1.702 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2COCC)CC1 1722447262 KNIALIFBWKMKGX-QFIPXVFZSA-N 499.637 1.731 30 10 JDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1722687380 VZZZVJPAYNUXNY-UHFFFAOYSA-N 457.604 1.760 30 10 JDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](CNC(C)=O)C2)cc1 1722706005 MRAKLYQKLXLVCF-NRFANRHFSA-N 451.531 1.633 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1722730205 LFWVYGLYDSVMSB-LJQANCHMSA-N 459.572 1.695 30 10 JDEE CC(C)(C)[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1724019640 DIYSQQNPCGITRO-KCEHZKJRSA-N 458.588 1.978 30 10 JDEE N#CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNS(=O)(=O)c2ccccc2)CC1 1731189259 FQCCOBPMRDSLMK-SFHVURJKSA-N 457.560 1.338 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1740567663 UOMRCLFQWAIDQV-CQSZACIVSA-N 478.541 1.587 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc2C1 1740649085 NLJZVBYPMYWBOM-HXUWFJFHSA-N 468.627 1.800 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccc(F)c1)N(C)C 1740671638 LGXVRYCKWCCIOS-WOJBJXKFSA-N 478.594 1.513 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCO[C@H](C)C2)CC1 1740700683 FIMCJAUNNYBYPX-MSOLQXFVSA-N 465.558 1.706 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCOC2)CC1 1740703261 LNJXAHJSEWMKKB-KRWDZBQOSA-N 453.543 1.965 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740713228 JBOGCWAECJGWMP-UHFFFAOYSA-N 470.599 1.894 30 10 JDEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740745857 IFRRIRRIWSWANM-FQEVSTJZSA-N 474.363 1.987 30 10 JDEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1740783302 DCSVAIFNSFXJTD-UHFFFAOYSA-N 453.551 1.773 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1740788858 YKVXTVLWZHKQGV-OKZBNKHCSA-N 498.650 1.784 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1740876953 XRXXFWSFBOXKCU-UFYCRDLUSA-N 482.651 1.124 30 10 JDEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNS(=O)(=O)CC 1740898616 SCXPIMYOKAMVMF-INIZCTEOSA-N 456.613 1.954 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCS[C@H](C)[C@H]1C 1740953823 RWCAUTLYYMOQPX-HZPDHXFCSA-N 478.644 1.828 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1740956582 NTBXADGLXUIDOH-SFHVURJKSA-N 455.563 1.282 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(F)c2)C1 1740971909 AEDNPEBILKDWEQ-GDBMZVCRSA-N 453.540 1.866 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1740987420 GULPSVATWSYTJL-PMACEKPBSA-N 489.598 1.811 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1740993275 VVSYQHWEJJEJKM-UHFFFAOYSA-N 495.609 1.290 30 10 JDEE CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C1 1741097539 FDFNLHGEQFLWHR-HXUWFJFHSA-N 467.574 1.950 30 10 JDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C2CCOCC2)C1 1748298199 CVXNUKZDJDRLIE-IBGZPJMESA-N 474.587 1.531 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCc1nc(C)cs1 1748671234 HVFWLNLBPMBEJS-IAGOWNOFSA-N 466.633 1.857 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCC[C@@H](C)C1 1748790598 JNDPVHXXUNAPTR-MOPGFXCFSA-N 452.625 1.193 30 10 JDEE COc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)cn1 1748797002 GJSBTKGYHYIFJV-UHFFFAOYSA-N 467.555 1.787 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1748809077 PQRGLDXCEKEKRE-NRFANRHFSA-N 480.594 1.892 30 10 JDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCOCC2)nc1 1748856012 PUFMIFDGEQKJBS-UHFFFAOYSA-N 475.578 1.622 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1SC 1748964329 JBLJNQMCKHFQTO-LJQANCHMSA-N 493.655 1.776 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCS2)n1 1748970732 POVXHVLKVLYXEE-IBGZPJMESA-N 457.604 1.892 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCNC(=O)c2ccccc2F)CC1 1748994691 NGEQRNQYXCFMMK-UHFFFAOYSA-N 495.584 1.594 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(C)(C)O)cc1 1749066995 OKUSKVSYBVNGDY-GBXCKJPGSA-N 487.626 1.879 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCCOC)CC1 1749127061 JECRNQXSQQWCNF-AZUAARDMSA-N 455.563 1.695 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cnn(C)c2)CC1 1749428112 YQTMKTLOBALFKF-LJQANCHMSA-N 463.608 1.695 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1749600335 WFVJSJDPBGSYLR-CVEARBPZSA-N 481.541 1.082 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1749600338 WFVJSJDPBGSYLR-JKSUJKDBSA-N 481.541 1.082 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1749730628 LIJXOEXKKWPBNR-UHFFFAOYSA-N 468.465 1.571 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1749791673 NVEBOTXYYYNUGW-SFHVURJKSA-N 459.576 1.061 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([S@](C)=O)CCC1 1760103114 YNAOPFVLSXFQHV-DFYVNMARSA-N 463.629 1.955 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1760188113 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C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1300763116 NEOBPDSIQLOWLN-ZCNNSNEGSA-N 497.687 1.620 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(F)cc1)N(C)C 1301296680 JHTADJSUAHLHAO-RTBURBONSA-N 466.583 1.675 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1301491986 UFBZGAPVXGTZPE-SFHVURJKSA-N 451.575 1.345 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CC(=O)NCC(F)(F)F)C1 1301554442 HAVLSGYFOQUOOE-LBPRGKRZSA-N 456.425 1.466 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=C)Br)C1 1301555478 CDIVSHRAAUYEHO-LSDHHAIUSA-N 476.397 1.301 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1301586514 GZZVIHIZZHDPEY-UHFFFAOYSA-N 480.594 1.827 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1301596379 MZWJYXDTOFCJON-KSZLIROESA-N 499.634 1.706 30 10 JDEE CC(C)NS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1303467631 CRDHVINDVYENDI-QAPCUYQASA-N 466.539 1.614 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1358961434 ZBYOLNBASBUEFN-FQEVSTJZSA-N 480.594 1.844 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1358966012 GHYWBBYJFAWHLI-IBGZPJMESA-N 459.547 1.409 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1358967284 HIOWHKORDVHZIC-IEZWGBDMSA-N 479.628 1.696 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1358967437 KLDHBLWNBJESFI-IBGZPJMESA-N 469.571 1.338 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1nc(C(F)(F)F)cs1)[C@@H]1CCS(=O)(=O)C1 1358967872 UTWAVIGHSHSIJL-GFCCVEGCSA-N 463.507 1.965 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1358968123 ZUWGSWHSWSCUHS-BZSNNMDCSA-N 454.593 1.301 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CC(=O)N1CCOCC1 1359022433 ZQWLPZZABSPACJ-UHFFFAOYSA-N 462.348 1.652 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN(C)C(C)C)CC1 1359041589 BQGZBMHAILKXNS-UHFFFAOYSA-N 486.642 1.655 30 10 JDEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359047991 ANXYJIUDTBSGFM-IBGZPJMESA-N 491.017 1.569 30 10 JDEE C=C(C)COCCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359136956 AAJRTPAZNURDJY-WIYYLYMNSA-N 456.609 1.925 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1359291433 PXONAEWJNKIAGF-INIZCTEOSA-N 462.576 1.319 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1455114331 CLNJBZAUJBEKAW-MSOLQXFVSA-N 456.609 1.272 30 10 JDEE C#CCN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)[C@@H]1CCS(=O)(=O)C1 1459737377 BWLRXMJWJFOKBG-QZTJIDSGSA-N 458.584 1.478 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)c2ccccc2OCCN(C)C(=O)OC(C)(C)C)CC1 1467813825 FVMRVHGVKIUNMD-UHFFFAOYSA-N 458.559 1.440 30 10 JDEE CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)CCO1 1500248825 DGCYVRVMPUGJQW-JOCHJYFZSA-N 451.575 1.986 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1507574694 BEDQSJUTPGMFEP-GOSISDBHSA-N 484.626 1.551 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1507587760 ABNLCCLMRGAUFA-LEWJYISDSA-N 473.599 1.472 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507628599 XVWLNRCBJNBUHQ-SFHVURJKSA-N 494.639 1.790 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCO[C@@H]1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507630495 AGAWDBPJNPEQOB-YZGWKJHDSA-N 460.604 1.901 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1507639084 VLTTYZQQGJKRDG-NLWGTHIKSA-N 479.647 1.738 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1507640777 WBFMAWXXSVCRHG-IBGZPJMESA-N 472.567 1.839 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507655700 MXCHNBMLOYOMQW-OALUTQOASA-N 490.630 1.704 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1507731357 GPRIHWGUQPXHBA-JOCHJYFZSA-N 466.586 1.790 30 10 JDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1507751967 SRYCUXIRPCKSOI-GOSISDBHSA-N 455.588 1.359 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1507831581 AFQSUDZCWMTGPE-VPTFNQTCSA-N 467.617 1.561 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(-c2ccco2)n1 1507983737 RKLDZULNTFESCR-MRXNPFEDSA-N 464.573 1.998 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1c(O)nc2ccccc21 1508038230 GYGVHDFVGQHEQT-INIZCTEOSA-N 460.560 1.575 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1508086252 MTEVLRORPYGIRA-SFHVURJKSA-N 455.559 1.954 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(C)C)C1 1508089973 GUISMVNVMPEDDV-MSOLQXFVSA-N 478.594 1.750 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1508106838 ZPRBFEIUEAGDKL-MSOLQXFVSA-N 459.572 1.856 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1508144967 VNHJWYVAXOCIFL-UHFFFAOYSA-N 460.604 1.559 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(C(N)=O)nc1 1538963362 CPCQSCFUXFXUCJ-CQSZACIVSA-N 451.918 1.862 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC=C)c1 1539042547 HZCACKTYTWJIMK-FQEVSTJZSA-N 486.598 1.633 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1539206005 LPQWSFINAWYUQI-BTYIYWSLSA-N 496.540 1.333 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539222388 VSGYVPVRIDVAFT-IAGOWNOFSA-N 451.593 1.104 30 10 JDEE C#CCN(c1nnc(COCC)n1CCCc1nc2ccccc2[nH]1)[C@H]1CCS(=O)(=O)C1 1539230297 FVBPLMWNWAILNL-KRWDZBQOSA-N 456.572 1.950 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1539343591 NBDGFSUJQIYHTP-FPOVZHCZSA-N 474.631 1.730 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1539434690 SRNDRODLFUPTLK-LNVKXUELSA-N 461.526 1.235 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(OCCOC)CCOCC2)CC1 1539481743 NNOSVGZKVCMFPO-OAQYLSRUSA-N 489.617 1.350 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nccs2)C1 1539498217 RCJSUEXFOPREOP-KBPBESRZSA-N 456.619 1.289 30 10 JDEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCS(=O)(=O)CC1 1540201280 RNVIXBITROCVRF-UHFFFAOYSA-N 489.646 1.916 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1540861695 BZWMXGZEXSKPOZ-WAIKUNEKSA-N 488.976 1.548 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@H]1C 1540879359 AUPPEOMXMJAXNB-HZPDHXFCSA-N 462.576 1.168 30 10 JDEE C=CCNC(=O)CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1546179767 XBIFZSITBFGNJU-LLVKDONJSA-N 450.380 1.472 30 10 JDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(C)n(C)c2=O)c1 1554796046 DYAHVYJVGPMRBN-FQEVSTJZSA-N 450.499 1.747 30 10 JDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccccc1F 1555995251 CLTMGWVMXLRBDT-QGZVFWFLSA-N 474.562 1.879 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@](O)(C3(C(=O)OC)CCC3)C2)ccc1F 1558577935 DTLLITXUKFVSGP-NRFANRHFSA-N 454.520 1.600 30 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ROSRWLWMEJFADW-UHFFFAOYSA-N 460.379 1.306 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1595798037 LRCBYQCZSAIXQC-LJQANCHMSA-N 491.589 1.874 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCNS(=O)(=O)c2ccccc2)C1 1611765101 FHCJJPNVMYSLRB-JOCHJYFZSA-N 471.587 1.623 30 10 JDEE CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCN(CCC#N)CC1 1648962885 CPEBVGJYAJSZSC-KRWDZBQOSA-N 457.394 1.810 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1689983022 ZCHICKMXRXSAHW-UCFODXPJSA-N 491.639 1.788 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CC(=O)N(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689986285 MRHYAWPTHYCOKG-LJQANCHMSA-N 470.599 1.758 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCc2ccccc2C1 1690020005 WMZMUNBBTXMKID-QHCPKHFHSA-N 496.637 1.132 30 10 JDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1690034508 JZXCKBZUTSIGFX-SKRYCIJKSA-N 466.542 1.308 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCCN(C)S(=O)(=O)CC 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C[C@H]1CN(CCN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)C[C@@H](C)O1 1693873913 DMEZYCHNSBFDLF-ZDQHKECQSA-N 484.601 1.814 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC[C@@H]1C 1705495418 PQBYEOUASFKZBT-FHWLQOOXSA-N 452.625 1.333 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705534777 RDYQHOBIFASWLM-OALUTQOASA-N 476.578 1.341 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CCc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1705560221 IPNSXSOEIKHKOR-IBGZPJMESA-N 457.600 1.805 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCCNC(=O)c1occc1C)[C@H]1CCS(=O)(=O)C1 1705569324 BVDKPSNVNMDHAI-SFHVURJKSA-N 461.588 1.825 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCNS(C)(=O)=O 1705694768 FCCRLNWYBYHRSC-YLJYHZDGSA-N 477.587 1.683 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705906990 WUJKYBBOILPRGO-NRFANRHFSA-N 482.585 1.604 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3cnn(CC)c3)C2)nnc1[C@]1(OCC)CCOC1 1705908375 APLRISDARWVJQG-GCJKJVERSA-N 459.551 1.027 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1705937822 FWLZIPLURGVFMW-WOJBJXKFSA-N 489.598 1.714 30 10 JDEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705948256 MXKJZUXNUZBDEH-UHFFFAOYSA-N 462.664 1.911 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1Cl 1706076516 FJHYPTXJHBRVSI-YJBOKZPZSA-N 482.994 1.939 30 10 JDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1711025991 BOCRTOLAGSUBID-UXHICEINSA-N 458.588 1.287 30 10 JDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1722365793 PKAVHYODWDKLDJ-NVXWUHKLSA-N 468.526 1.955 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(C(=O)NCC)c1)[C@@H]1CCS(=O)(=O)C1 1722370522 CESJNJJCKMCIAP-HXUWFJFHSA-N 455.584 1.655 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1722370544 OPSKOUWHMJJMKD-OALUTQOASA-N 474.583 1.919 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Cc1ccc(OC)cc1 1722384204 OGTPXCWUGYPHJP-UGKGYDQZSA-N 485.610 1.571 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(OCC(N)=O)c2)CC1 1722449478 SPGOHQKBYYIVJQ-UHFFFAOYSA-N 487.564 1.142 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2cncn2)C1 1722587966 GOSNQHSEIIMSTO-QZTJIDSGSA-N 478.623 1.646 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1740591308 NUTUYKJSAOABLC-NHCUHLMSSA-N 489.598 1.309 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1740617888 YLSGSXGUJSLMGB-PGRDOPGGSA-N 460.556 1.311 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1740625530 QRADSFPSUHIBFX-XXBNENTESA-N 489.573 1.074 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1740693426 XYWPJMKWDXTRAW-XMMPIXPASA-N 474.606 1.552 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(CCOCC)CC2)CC1 1740700894 MJCDIPOPWIJLPM-UHFFFAOYSA-N 456.591 1.687 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740713764 PWYMTLGLRWCXDF-KRWDZBQOSA-N 456.572 1.885 30 10 JDEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(N)=O)C1 1740792667 KNHZOMXARLGEFN-QGZVFWFLSA-N 465.558 1.969 30 10 JDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1740792808 AIEAZPDQOADJMQ-NFBKMPQASA-N 467.618 1.845 30 10 JDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740795893 HRKUTHZOCANMAE-CVEARBPZSA-N 460.560 1.797 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCNC(=O)C1CCC1 1740811649 YBXZDORRBFLLFL-INIZCTEOSA-N 475.015 1.106 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1740875677 HVLFCDMGGLGQGA-ZWKOTPCHSA-N 466.608 1.168 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1748801554 CUPLBXMHGISRCR-HXUWFJFHSA-N 484.582 1.148 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1Cc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 1748801715 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GKKHHAQOBZVCEZ-MRXNPFEDSA-N 455.972 1.266 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCS(=O)(=O)CC1 1749537981 QWEDOVFPCIYOKO-IBGZPJMESA-N 494.639 1.313 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1749677874 NHOFBULVNOGVEX-KRWDZBQOSA-N 457.604 1.647 30 10 JDEE C=CCNC(=O)Cn1c(N2CCc3cc(OC)c(OC)cc3C2)nnc1[C@]1(OCC)CCOC1 1749681409 AGVANZWPYIWNAG-DEOSSOPVSA-N 471.558 1.812 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749681760 IHCOSTVZQZXEPR-IYBDPMFKSA-N 473.578 1.162 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2cccc(C)c2)C1 1749718840 ZKOUHVIVDPTNSM-HXUWFJFHSA-N 452.559 1.920 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCNC(=O)CC1 1749727522 WPVAVIWEKOTLOM-UHFFFAOYSA-N 498.403 1.643 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749731799 KRBCZXNDGSMMIT-MRXNPFEDSA-N 450.565 1.009 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccs2)CC1 1750997689 BYERJBMJYPHZTJ-UHFFFAOYSA-N 480.598 1.880 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnnn1CC1CC1 1760102937 VIBRDFPIBGXDFR-HNNXBMFYSA-N 469.575 1.098 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1760248512 AWKZHKQAKYDEDY-QFIPXVFZSA-N 453.587 1.873 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(C)cccc2C1 1760282271 YWCDYUADXKZFFW-FQEVSTJZSA-N 475.640 1.849 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC2CCOCC2)c1 1760289349 OOIMHGYBKIABRK-GAJHUEQPSA-N 488.614 1.882 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1760548848 RCXABZUJQHRKMY-MRXNPFEDSA-N 468.624 1.148 30 10 JDEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1766975096 BWLOQQVQCNDGDN-SFHVURJKSA-N 483.602 1.584 30 10 JDEE CS(=O)(=O)CCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C#N)CC1 1770332020 CSOSYYBNHGRBCE-UHFFFAOYSA-N 485.658 1.817 30 10 JDEE CO[C@@H]1COCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 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456.503 1.630 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CCN(C)C2=O)CC1 1286790727 OOFUDZDEOBMXFS-UHFFFAOYSA-N 471.587 1.021 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1286818756 NJLNMVIXCUAKSV-CQSZACIVSA-N 459.498 1.409 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(CCC(N)=O)CC1 1286820647 OSAZEUKTTVUZIN-FQEVSTJZSA-N 489.598 1.873 30 10 JDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCn2cc(Cl)cn2)C1 1288976624 BHGXUWOQLMDGKY-LPHOPBHVSA-N 482.998 1.291 30 10 JDEE CC[C@@H](C)N(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1291773587 IBDSBQSZQMARHC-AEFFLSMTSA-N 453.613 1.081 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@@H](N(C)C)C2)c1 1298676569 KKJHTQOFMXOVOE-QUCCMNQESA-N 450.605 1.458 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1c2ccccc2C[C@@H]1C 1300312132 XOAJPKOMTKAAIS-WFXMLNOXSA-N 472.615 1.520 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)SC)c1 1300334239 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10 JDEE C#CCN(c1nnc(COCC)n1Cc1nnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 1507638782 STRKXVWNDBYPCJ-CQSZACIVSA-N 452.606 1.639 30 10 JDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1507641561 HKNBSHBTCQXWFM-VIZSFHNOSA-N 475.615 1.207 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(C)c1 1507653405 OICIMBGNROQCGF-TZIWHRDSSA-N 471.583 1.460 30 10 JDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)CN1CCN(CC)CC1 1507653525 RBCCCJYRBYNNRB-LJQANCHMSA-N 451.575 1.352 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1507733871 COZGJJXOMYUTCE-VQTJNVASSA-N 483.569 1.468 30 10 JDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1507836120 XRTNMLBPTBDWHT-UHFFFAOYSA-N 460.501 1.904 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCSC1 1508040559 ZGLBNEBWOKMWPJ-DLBZAZTESA-N 459.638 1.393 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC2CCOCC2)CC1 1508260065 LWOLBKRONIJYGS-UHFFFAOYSA-N 468.558 1.983 30 10 JDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1509734925 BTXMTMWRFNZJPL-NRFANRHFSA-N 480.617 1.720 30 10 JDEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 1515931060 DYAIOLHTYKBRCL-OALUTQOASA-N 452.607 1.790 30 10 JDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1516961919 FBMIIBZBJIUYQN-IBGZPJMESA-N 451.531 1.123 30 10 JDEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(C)C)C(=O)C2)CC1=O 1519190560 CLZPNZGSIZUHIP-HXUWFJFHSA-N 479.585 1.616 30 10 JDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539117219 VVYUVYOKCAKARG-UHFFFAOYSA-N 497.625 1.949 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCS(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1539212244 ODGRVWUFIBKRBJ-KRWDZBQOSA-N 486.019 1.117 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1539230448 HTUSHESUTXEQRL-KZNAEPCWSA-N 450.605 1.860 30 10 JDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1539238476 YBGOJPKPVLEDDW-NLFFAJNJSA-N 464.570 1.671 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1539416603 QBPGZHRENTXWIT-QZTJIDSGSA-N 481.619 1.666 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)C2CCCCC2)CC1 1539481768 OGJRMLVDWUKJTR-HXUWFJFHSA-N 490.674 1.411 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)CCOC)CC1 1539481954 QEENPTUWMQJGIL-SFHVURJKSA-N 465.620 1.209 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC(C)C)CC1 1539614670 BDKIKZUXDVXECX-OTWHNJEPSA-N 498.650 1.784 30 10 JDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1540048627 ZYYNZTMXOYRHBO-RBUKOAKNSA-N 461.636 1.721 30 10 JDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1540859593 RBKRQVWTYLVGRQ-JOCHJYFZSA-N 453.591 1.170 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(C)(=O)=O 1540876312 NKDXJTWETWQDFN-HNNXBMFYSA-N 470.596 1.133 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C)c1 1540903726 HIJRKGVTTKXKFS-GOSISDBHSA-N 452.602 1.726 30 10 JDEE N#Cc1ccc(N2CCC3(CC2)C[C@@H](C(N)=O)N(C(=O)CCN2CCOCC2)C3)cc1C(F)(F)F 1548379836 IYHNCLRFRJXFOD-FQEVSTJZSA-N 493.530 1.972 30 10 JDEE CCS(=O)(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1552399023 FXCHUDALGUKRQX-SFHVURJKSA-N 474.591 1.052 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1CCNS(=O)(=O)c1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1588029133 DNNVFQUOKNCGGV-NVXWUHKLSA-N 499.684 1.767 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1588034335 DHLIQYLSMHDFGL-XMSQKQJNSA-N 462.547 1.744 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1588050316 RCEYUETXJYEHAU-FQEVSTJZSA-N 464.551 1.375 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1588069373 MMFZMOBRDFBCKT-IBGZPJMESA-N 456.576 1.053 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)Nc1c(C)cccc1C 1588181667 ZNGONWQUJSYESX-GOSISDBHSA-N 456.572 1.607 30 10 JDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1588245976 XKHAEMOFAXWEGW-OAQYLSRUSA-N 464.570 1.838 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2CC2CCN(C(C)=O)CC2)n1 1588724079 UFMHWQMMBCVJEQ-UHFFFAOYSA-N 477.573 1.476 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2ncn(C)n2)CC1 1588762855 NWTRGIFFQYDCKM-UHFFFAOYSA-N 459.327 1.779 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCNC(=O)c2cccc(C)c2)CC1 1588876746 HNNGPLGZHPFATR-VXKWHMMOSA-N 466.586 1.496 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(S(C)(=O)=O)cc1 1589149901 AVEKSJUVXRXVOP-MGPUTAFESA-N 465.601 1.332 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1594097286 PVQZLYXRYIDFJR-KRWDZBQOSA-N 484.623 1.634 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1595465848 AAAKORMPDNAHGB-HSZRJFAPSA-N 453.547 1.412 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)Cc2ccccc2)C1 1595723604 YQLUICXJRBEXFU-VQTJNVASSA-N 494.639 1.577 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCN1CCCC1 1608584239 GIJCBUSSKKXVEE-UHFFFAOYSA-N 450.591 1.706 30 10 JDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1616207831 CKSRWMISWBHMIY-NXHRZFHOSA-N 452.602 1.107 30 10 JDEE CN(C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)CC1)S(C)(=O)=O 1617791644 DTOJIVLVNPIYLA-UHFFFAOYSA-N 476.603 1.750 30 10 JDEE N#CCCN(CCC#N)C(=O)CN1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 1642328614 HHOXAFMKWLGURU-UHFFFAOYSA-N 454.556 1.587 30 10 JDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C(=O)OC)c1Br 1659672146 FEJZQDQGNOIUII-LLVKDONJSA-N 452.348 1.600 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)NC(C)C)c1 1689868816 RACRNFJHYJXDLR-XMMPIXPASA-N 468.558 1.511 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCNC(=O)c2cc[nH]n2)c1 1689873600 PCAGQEPTPHTCPN-LJQANCHMSA-N 462.514 1.339 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1689993192 XLPGHZNVWZOATF-HOTGVXAUSA-N 450.511 1.810 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1690045034 DYTSTRBRHFORRV-NFBKMPQASA-N 460.582 1.961 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCN(C)C(C)(C)C1 1690104201 PFZBIZOADHMMFQ-UHFFFAOYSA-N 495.676 1.564 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2C[C@@]2(C)COCCO2)n1 1690109330 NTHQRTREUBWUIO-OFNKIYASSA-N 458.563 1.808 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CC(F)(F)CO2)n1 1690109352 OSTIVDLMKFKXEH-DLBZAZTESA-N 463.489 1.136 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1690155541 LAPYECKDUPXQJS-DLBZAZTESA-N 478.648 1.150 30 10 JDEE C#CCSCCn1c(C(C)C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1690155593 LUTNNFGWNOQXIL-IKGGRYGDSA-N 483.660 1.894 30 10 JDEE C#CCSCCn1c(N(CC#C)[C@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690185678 CVNBVEUSVNICEX-GHTZIAJQSA-N 466.629 1.312 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)NC(C)(C)C 1690235770 DMVQPGOFBJWHTL-UXLLHSPISA-N 456.613 1.220 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1690345926 HFJZVBIZLMCHTN-HNNXBMFYSA-N 450.952 1.290 30 10 JDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1690351090 HOKRUUYOJHJXLL-IEBWSBKVSA-N 478.041 1.970 30 10 JDEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1690626119 YEWVIFNVDAOFDK-FQEVSTJZSA-N 488.614 1.964 30 10 JDEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1690640881 OHLNOHHBMHNHEB-INIZCTEOSA-N 450.547 1.817 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690681445 PVHXSRSSPPTFBQ-UHFFFAOYSA-N 481.557 1.550 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(c2nc(C)no2)CC1 1690714498 NICATKCYLNXEGQ-UHFFFAOYSA-N 451.553 1.093 30 10 JDEE Cc1nc2n(n1)CCN(c1nnc(COc3ccc(C#N)cc3)n1CCC(=O)NC(C)(C)C)C2 1693440448 AGVZLNQRZJMZDI-UHFFFAOYSA-N 463.546 1.954 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705568551 PUMUYQOEBDOIES-GOSISDBHSA-N 469.592 1.945 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1705568751 UQJBEPRMRPSLMT-KRWDZBQOSA-N 496.586 1.200 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705570182 KYXFZSFTYDSZPJ-HXUWFJFHSA-N 457.600 1.600 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705695493 XMXOIRTVOHNKOP-IEBWSBKVSA-N 480.635 1.356 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1705903687 QINILGQKYIMFGE-HXUWFJFHSA-N 462.558 1.701 30 10 JDEE CC(C)(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1706185897 FBHJLPQNGZFWNI-UHFFFAOYSA-N 494.643 1.502 30 10 JDEE CC(C)(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1706185898 FDBAJOMKVOKZAT-KRWDZBQOSA-N 457.560 1.244 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Cn1cccn1 1706747013 HKIZKYBMUNWWBU-GHTZIAJQSA-N 498.613 1.642 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722363428 TZUVLKWNEPWOEF-DLBZAZTESA-N 461.588 1.539 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCNC(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1722364550 HYADGINKVKZHHF-SFHVURJKSA-N 484.607 1.382 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(CCOC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722369347 YAOBRYPDJOIMIL-RTBURBONSA-N 477.631 1.843 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1722413007 HBHSEJOVLSYPLM-DLBZAZTESA-N 458.592 1.140 30 10 JDEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1722427393 OGTPJKPSKNJJGZ-KRWDZBQOSA-N 450.536 1.907 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2scnc2C)CC1 1722440323 CRBQHUWFFLLBER-UHFFFAOYSA-N 455.588 1.488 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1722440357 HXYMHGDZZTUBFR-JOCHJYFZSA-N 480.613 1.724 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CC(C)C)c1C 1722475027 RUOBLFUWKVHADN-NFBKMPQASA-N 489.646 1.812 30 10 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481.623 1.977 30 10 JDEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1722362656 VPYIRNMHRRQMQI-ROUUACIJSA-N 471.583 1.725 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1 1722398083 WZDOOWXPWAIVJZ-FQEVSTJZSA-N 459.547 1.456 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCc2cn[nH]c2)CC1 1722432853 HGTDYPWWOGADAS-UHFFFAOYSA-N 451.531 1.692 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCNC(=O)c2cc[nH]n2)CC1 1722449457 JTUMZUIWMHBOIE-UHFFFAOYSA-N 490.568 1.284 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N2CCCCC2)C1 1722460406 FEPXGPLAXMUUSC-RBUKOAKNSA-N 482.676 1.042 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1722618738 VEXIAUDLOBJPBW-VQTJNVASSA-N 450.653 1.751 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722677016 QWSJNDKLXIAWCG-ROUUACIJSA-N 497.643 1.290 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722701117 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JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)COC)CC1 1760554511 FWTNSLZIFZHZPL-UHFFFAOYSA-N 482.006 1.418 30 10 JDEE CC(=O)N1CCCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1760600497 SFLFQXIRQMBVLR-QURGRASLSA-N 455.563 1.596 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccc(F)cc1 1760695190 CGQWOKZWPZFMGI-YWMUFLPLSA-N 480.566 1.254 30 10 JDEE CCC(O)(CC)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1762412258 BPKRLPREEXITJN-QGZVFWFLSA-N 455.567 1.021 30 10 JDEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCC(=O)N(C)C)cc(OC)c1OC 1768279942 FXEHBQXNAMNHKD-INIZCTEOSA-N 458.519 1.568 30 10 JDEE COCCN1C[C@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1771129182 FCTIQDDVAAGWFZ-VQIMIIECSA-N 474.949 1.734 30 10 JDEE C#CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CN2CCN(C(C)=O)CC2)cc1=O 1870559501 DVRYRXXTCWYARN-UHFFFAOYSA-N 453.539 1.784 30 10 JDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOCC)cn1CCCN1CCCC1=O 1870669599 SCZHHJPJTRIIEH-UHFFFAOYSA-N 475.586 1.993 30 10 JDEE N#Cc1c(NC(=O)COc2nonc2CC(=O)N2CCC3(CC2)OCCO3)sc2c1CCC2 1872637099 PAZMFYWHOBVPMU-UHFFFAOYSA-N 473.511 1.417 30 10 JDEE COCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874500990 KDLREOUBRWXDAO-LSFURLLWSA-N 488.482 1.988 30 10 JDEE CC(=O)Nc1ccn2ncc(C(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)c2c1 1889556512 XFNINHWXBDWANO-UHFFFAOYSA-N 452.559 1.165 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C1CS(=O)(=O)C1 2076833450 AVJFBCJDOHQTIJ-RBUKOAKNSA-N 462.572 1.161 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255642267 CSZBTSYEOKEIKJ-CYBMUJFWSA-N 453.370 1.808 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2255645837 SEPGWMPZZWHLRR-KBPBESRZSA-N 453.370 1.542 30 10 JDEE CN(CC1CN(C(=O)OCc2ccccc2)C1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255660194 DDHBGPXPEJWFQZ-UHFFFAOYSA-N 469.351 1.455 30 10 JDEE Cc1nc(C(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)s1 2255811320 QQYXLGHMSRQDAW-UHFFFAOYSA-N 452.386 1.948 30 10 JDEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)C(C)(C)O 2256676969 SWTLQGCTJDOECL-CYBMUJFWSA-N 455.386 1.723 30 10 JDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC2(C(N)=O)CCN(Cc3ccccc3)CC2)C1 2266526558 JZLLBBHMQGOVHI-UHFFFAOYSA-N 454.571 1.929 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2267150667 FUBPNIMIWPLSSM-ZFWWWQNUSA-N 467.397 1.790 30 10 JDEE Cc1nc(S(=O)(=O)NC[C@H](C)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2267709462 CGEQIGAMOZPZFK-CYBMUJFWSA-N 472.417 1.467 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2267727522 WQMSTKBWKBKWEA-HUUCEWRRSA-N 488.437 1.696 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)n1 2281954495 XFLHLKHOYPDHOJ-CYBMUJFWSA-N 465.360 1.216 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2281955904 QPPWGEGSQGKZSI-RBSFLKMASA-N 461.372 1.632 30 10 JDEE 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C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C1=O 517818535 UTGWQWDENSSYJH-UHFFFAOYSA-N 452.433 1.763 30 10 JDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NCc3ccc(C#N)cc3F)CC2)cc1 609231011 HHDYSXZLEQPPSR-UHFFFAOYSA-N 472.542 1.935 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1C[C@H]1CCCO1 619537570 CQVNMDGVXLVTBG-MRXNPFEDSA-N 479.480 1.793 30 10 JDEE C#CCN(C(=O)COc1c(Br)cc(C#N)cc1OCC)[C@@H]1CCS(=O)(=O)C1 729334963 XIEWWDJQIKVQBW-CQSZACIVSA-N 455.330 1.747 30 10 JDEE Cn1cc(C=NNc2nc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)n[nH]2)cn1 1084607592 FYDOGZDGRWBXLA-UHFFFAOYSA-N 489.587 1.500 30 10 JDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)c1 1161091854 HBQRKEYGCQIHIM-QGZVFWFLSA-N 450.879 1.551 30 10 JDEE C#Cc1ccc(S(=O)(=O)N2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)cc1 1213501744 INBLOOFFGBEILE-QRQLOZEOSA-N 461.540 1.871 30 10 JDEE CC#CC[C@@H](CO)NC(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1221961935 OVAOFIRAYWUNQX-KRWDZBQOSA-N 453.561 1.178 30 10 JDEE C#CCN(c1nnc(C(C)C)n1Cc1ccccc1CN1CC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1286385844 PTXPXHZUSUMYLL-FCHUYYIVSA-N 471.627 1.643 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1286389379 IVWYMXXFIJIRSQ-ZUQCGGBESA-N 487.607 1.995 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCCC2)cc1 1286397627 OJUDNCANWJCNGJ-HXUWFJFHSA-N 468.627 1.995 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN(C)Cc2ccc(F)cc2)CC1 1286473646 VTYOFIFGLOQQOJ-RUZDIDTESA-N 470.593 1.957 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286534417 BIYFKOBOMHHRLC-STQMWFEESA-N 493.428 1.900 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(S(=O)(=O)CC)CC1 1286563813 KSRJAIBPQXTXBL-LAUBAEHRSA-N 465.620 1.785 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1286687859 NMPHEUWMKBIJGM-FCGDIQPGSA-N 453.609 1.829 30 10 JDEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286710085 MJCTVYOMXKFMNS-UHFFFAOYSA-N 455.563 1.815 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(C)c2)C1 1286811136 ZYJGXTJERCJDLE-PMACEKPBSA-N 461.588 1.749 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1288516324 AJBZVHUMLWLPGH-LBPRGKRZSA-N 462.436 1.609 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1300479594 QAKDZRQQWLFJNT-IBGZPJMESA-N 499.641 1.674 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300501911 OKOOIMBLBDMWIV-IRXDYDNUSA-N 451.593 1.088 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1300710492 DADRAZKPDKKXGB-NRFANRHFSA-N 471.650 1.893 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1301509441 HHMNWFMIDZQDIE-UHFFFAOYSA-N 492.584 1.901 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCn2cc(Br)cn2)C1 1301535752 ODBBUWSEDOUNBF-INIZCTEOSA-N 464.368 1.955 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCCN(S(C)(=O)=O)CC1 1301575694 JSZIJLJEPRLPCQ-UHFFFAOYSA-N 493.611 1.764 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1301576529 WLWDZYQWJSFQQO-FQEVSTJZSA-N 490.586 1.755 30 10 JDEE CC(C)(C)OC(=O)N(CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1302219188 GRGBADWEDFGULJ-QGZVFWFLSA-N 459.551 1.642 30 10 JDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCn2cc(Br)cn2)C1 1302978181 HEEQOTVGEIXJSS-BLLLJJGKSA-N 472.344 1.281 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCN(Cc4cscn4)CC3)n2CC(=O)NCC(F)F)c1 1302985958 DGNWMSXEOHRQFC-UHFFFAOYSA-N 472.525 1.977 30 10 JDEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)C1 1306496648 AQTHLNUHWVXIIQ-SFHVURJKSA-N 459.576 1.251 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1358960254 AHTKBLUHMWUXKI-INIZCTEOSA-N 492.403 1.949 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1358963348 GMMNHGYRDSUBJT-PZJWPPBQSA-N 457.600 1.717 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1358964771 HBABEHRZGQHMRD-ICSRJNTNSA-N 494.614 1.460 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1358968962 CVXXGENADPJYJQ-CYBMUJFWSA-N 480.381 1.964 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(OC)nc2ccccc12 1358969600 SFDNGBUUSGNOPO-INIZCTEOSA-N 452.540 1.566 30 10 JDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1ccc(C)cc1 1359023662 RCHKHFPSGOYXIN-UHFFFAOYSA-N 464.526 1.830 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCCC[C@H]2C)CC1 1359040058 GLZCMCVAVLAOIU-LJQANCHMSA-N 457.623 1.647 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nc(C3CC3)cs2)CC1 1359040586 BBQYJCYAJKFJHX-CQSZACIVSA-N 491.643 1.236 30 10 JDEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1359283578 CHXXPAKBGDXSRR-OAHLLOKOSA-N 470.509 1.210 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1359296848 WOPYQZMNXZJJCP-XJKSGUPXSA-N 459.348 1.725 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C3CCC(C)CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1359305829 OAZRQYJUGPQUOT-ZSHKSDETSA-N 460.623 1.933 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](C(=O)NC)C1 1359328288 ZCVZWPBDWDZWKD-ICSRJNTNSA-N 491.614 1.587 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359330666 YRCZFEDCIGWICW-GOSISDBHSA-N 472.571 1.327 30 10 JDEE C=CCCC[C@H](C)NC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1478296669 RYPORZCYEPINMI-SFHVURJKSA-N 451.593 1.679 30 10 JDEE CCCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)cn1 1501262300 CLDQHRASOPDTQR-FUHWJXTLSA-N 477.591 1.581 30 10 JDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C(C)C)CC1 1504536663 GLONEFCPCXMNBA-HSZRJFAPSA-N 456.547 1.431 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507622263 CPXXFXCXOISBIJ-PMACEKPBSA-N 476.647 1.405 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1507625149 HGPZGDASPQTMGD-OPYAIIAOSA-N 454.593 1.228 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507635917 WFINJURGTOABJA-MJGOQNOKSA-N 488.614 1.804 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507638954 HZNKCLKDTOQLFS-NHCUHLMSSA-N 487.626 1.513 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCCS1(=O)=O 1507669887 UWSBTJZPWRTBEL-NRFANRHFSA-N 481.626 1.882 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1507675543 DVZTYEWPHLBOFN-UHFFFAOYSA-N 472.567 1.268 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@](=O)CC 1507701382 FKERSZKVPYXONH-AYLZSAKASA-N 497.618 1.159 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCn1c(O)nc2ccccc21 1507703635 YIXNIQCDHSUIDS-UHFFFAOYSA-N 460.498 1.767 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2CC2CCOCC2)n1 1507714300 MBSMLXCWAIPONZ-UHFFFAOYSA-N 455.563 1.423 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCS(=O)(=O)CC)CC1 1507733796 ATSGEIOSOHILJU-UHFFFAOYSA-N 495.552 1.947 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1507748014 ZAWSRXFGHSOMQZ-KRWDZBQOSA-N 496.703 1.920 30 10 JDEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(C)COCCO1 1508037477 CCEQQTCCTMJZFY-QHCPKHFHSA-N 457.579 1.896 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1508071451 JJRQFWUUXDIZJE-UHFFFAOYSA-N 471.606 1.291 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1508072856 KXYCYJVVWDZGCV-MRXNPFEDSA-N 471.993 1.690 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1508087585 CTCVRMVGBJYWGP-SJORKVTESA-N 489.577 1.336 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1508140498 ODRMPMZOCMXZLD-UHFFFAOYSA-N 486.598 1.902 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1508142517 TXQJNGBMFXAMJH-DLBZAZTESA-N 455.581 1.488 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1508143148 JSNRHRFOXBVNCD-LJQANCHMSA-N 488.614 1.631 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1539052348 CZLKDVUZWJHUIY-JKSUJKDBSA-N 465.580 1.776 30 10 JDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(NC(=O)COC)CC1 1539115675 GGZKMPUTIMGRKP-UHFFFAOYSA-N 473.603 1.383 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1539229304 BLBIYUYBYRLTSL-HXUWFJFHSA-N 484.582 1.034 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(=O)NCC2CC2)CC1 1539474805 ZLHKSOVPGXGOJN-UHFFFAOYSA-N 480.569 1.454 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1540868427 FHCIOEXZMWBOSW-IBGZPJMESA-N 469.571 1.446 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)COC)CC1 1540880567 KKYHTEPJRLPAMG-IBGZPJMESA-N 489.598 1.088 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1540889229 HNJWLXMGEIZQFP-QGZVFWFLSA-N 455.544 1.407 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(SC)CCC2)C1 1540893168 YFFZBYYKUPCPIQ-IRXDYDNUSA-N 471.649 1.678 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1540901914 UODIZYZWPHLFOA-MRXNPFEDSA-N 477.591 1.782 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1540907510 YXAJWANZPAMDKD-ICSRJNTNSA-N 473.599 1.388 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1588050305 QXPNDTUZGZSVJL-SJORKVTESA-N 484.582 1.101 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1588074553 OKTDZNOCGGDZJZ-BQFCYCMXSA-N 465.601 1.328 30 10 JDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC1CCN(C(=O)OC)CC1 1588158448 BQOZYSVNYNMTCC-UHFFFAOYSA-N 454.556 1.821 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1588779728 ARZVESMVSNFIGX-QGZVFWFLSA-N 480.997 1.917 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCCCN2CCOCC2)CC1 1588871361 ARHSWTBGFQMGMN-UHFFFAOYSA-N 456.566 1.864 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@](C)(O)C(C)C)CC1 1588899216 MTZFOHVTKRTWMU-DEOSSOPVSA-N 487.626 1.721 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC[C@@H]2COCCO2)CC1 1588947535 QRBYIMDPBSNGRW-OAQYLSRUSA-N 467.570 1.649 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)N(C)C 1589216746 WLUJTNZYOJGEIA-PQNGQFLHSA-N 486.642 1.906 30 10 JDEE C=C(Br)Cn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1589459794 DIBYVEYLVFDPSI-GOSISDBHSA-N 492.440 1.699 30 10 JDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccccc2)CC1 1593763870 RUVAAMMYQYOBEU-UHFFFAOYSA-N 452.559 1.956 30 10 JDEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1594591319 RLOBFMPJQORGIM-FQEVSTJZSA-N 451.535 1.618 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OCC)CC1 1595466465 JKEPHEJSOYSSDL-UHFFFAOYSA-N 489.964 1.442 30 10 JDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1595569669 MTTOLXLZFWYMQI-IAGOWNOFSA-N 476.578 1.283 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1595772660 GDZZJJZVEWZTDQ-IBGZPJMESA-N 490.630 1.580 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1 1596831016 HNTJCBMSOPEQLL-YJBOKZPZSA-N 450.540 1.589 30 10 JDEE CCN(CC)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)CC1 1615330525 ABAOBQCLAWKPPA-UHFFFAOYSA-N 469.590 1.490 30 10 JDEE C#CC[C@@]1(C(=O)N2CCN(C[C@H]3CCCS3(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 1631268572 BZRRWVYWSXKMHW-GCJKJVERSA-N 453.605 1.501 30 10 JDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NS(=O)(=O)CCC)c(F)c1 1661543793 FRZLDARACXJWEC-ZDUSSCGKSA-N 454.567 1.341 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCC(O)CC1 1689846470 KMAUFSRPVXMGGI-KRWDZBQOSA-N 459.620 1.543 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1689988160 KGIJQMAOLXIOAF-QGZVFWFLSA-N 458.544 1.118 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689998867 ZJPVVPHWXXTACU-TYPHKJRUSA-N 479.647 1.503 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1690117436 HTDBTRCLQDPMFR-JOCHJYFZSA-N 495.672 1.991 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCS(C)(=O)=O)CC1 1690138082 RNDMGXJDJHOFBR-MRXNPFEDSA-N 477.562 1.568 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690255385 QNTCOXWAAPQBKB-QXAKKESOSA-N 453.609 1.971 30 10 JDEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690307025 MNDIOKLCTNHSCI-HNNXBMFYSA-N 489.374 1.447 30 10 JDEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1690435991 JQDKHLGGUUPZDB-UHFFFAOYSA-N 479.589 1.333 30 10 JDEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1690631286 ZRGJBWKVLAANEE-HXUWFJFHSA-N 477.587 1.779 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1690676214 SUCDBSSVPRUKLY-UHFFFAOYSA-N 466.521 1.723 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C(=O)OC)C1 1690718849 AWMSSRFKLCTIQM-HNNXBMFYSA-N 453.952 1.984 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1690724421 OKVXWJIICGNORC-HZSPNIEDSA-N 470.539 1.416 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](OC)[C@H](OC)C1 1690724985 AFZGXVYQPCWDCU-HDICACEKSA-N 456.515 1.598 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705559169 SVYATOCAWYLUOE-AUSIDOKSSA-N 471.583 1.049 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1705565502 IRIZICWCGSIADT-HBMCJLEFSA-N 479.647 1.503 30 10 JDEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1705567772 ZJPXSDIOIULUPE-LJQANCHMSA-N 489.671 1.832 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)F 1705598151 CHKNKAZIRWMQNW-KRWDZBQOSA-N 463.510 1.730 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(OCC(F)(F)F)c2)CC1 1705638806 XIMDVVOGSLZHRP-GOSISDBHSA-N 462.476 1.974 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccncc2Cl)CC1 1705644763 BEAVYTOJUREPQV-HSZRJFAPSA-N 472.977 1.993 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)N(C)C2CC2)CC1 1705646830 PNIYZZQFDCLOOF-SFHVURJKSA-N 498.653 1.797 30 10 JDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705679087 BGGUWWMMXQYASE-UHFFFAOYSA-N 491.394 1.856 30 10 JDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1705723301 JWNNLVNHOUSWIS-MJGOQNOKSA-N 465.562 1.864 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705826881 MENWXGPZDGIGNS-UHFFFAOYSA-N 484.582 1.598 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC1 1705860352 HQMUOPHJEYMXGQ-NHCUHLMSSA-N 486.598 1.712 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705908042 GCSOEEAKGUVSIO-ZACQAIPSSA-N 475.594 1.313 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Br)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1722361970 LEOFWWVWOITTRS-CQSZACIVSA-N 490.387 1.511 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1722363269 FBHZZPBLNAEEGG-MJGOQNOKSA-N 492.573 1.725 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1722371994 ZWSOSXSMZZAWIC-IBGZPJMESA-N 473.599 1.627 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1722375050 JAOFGAAVPCBOJE-XTQSDGFTSA-N 460.494 1.562 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ncnn1C(C)(C)C 1722383945 RRTCTSLIYDGXBR-UHFFFAOYSA-N 458.574 1.920 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)c2ccc(F)cc2)CC1 1722436492 AEQRFBYAUMAZSP-GHTZIAJQSA-N 490.605 1.309 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCNS(=O)(=O)Cc2ccon2)CC1 1722439204 SEQFDYPOTMUYAU-UHFFFAOYSA-N 483.598 1.040 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1722443050 AQJGHMFAVHWDLE-VXKWHMMOSA-N 462.554 1.834 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cc(C)ccc2OC)CC1 1722448519 YTDMKBMTLXNXRC-OAQYLSRUSA-N 499.637 1.706 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493.605 1.754 30 10 JDEE C#CCN(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740603744 DSLQAKYBRNEEAF-QFIPXVFZSA-N 462.572 1.752 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1)[C@@H]1CCS(=O)(=O)C1 1740616023 PXQAUPBXNZMNJL-AZUAARDMSA-N 486.642 1.871 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCS(=O)(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1740625527 OJYCYZGTHHMULE-FQEVSTJZSA-N 493.655 1.132 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1CCN(CCN(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1740628522 YMFOKVJUQGWJGH-VXKWHMMOSA-N 492.690 1.420 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)OC(C)(C)C 1740637190 SXVRJHBOKXCAHC-UHFFFAOYSA-N 471.587 1.836 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1740683769 FBFHWGUWZQGFNL-PMACEKPBSA-N 466.542 1.481 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1740689509 DLVXXNDPSGSJDR-OAQYLSRUSA-N 459.639 1.309 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1740710447 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CC(C)(C)OC(=O)NC(CO)(CO)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2286182270 NMLXRLVLTREEDY-UHFFFAOYSA-N 468.331 1.103 30 10 JDEE CC(=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccccc1)c1ccccc1O 2327749690 JAIZTRZOGLBQOX-INIZCTEOSA-N 478.509 1.415 30 10 JDEE COc1ccc(/C=C/C(=O)[C@H]2C[C@@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)cc1OC 585823998 DHKZUUMLSDQNHF-JFFDJDQUSA-N 477.517 1.819 30 10 JDEE Cc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnn4ccccc34)c2=O)cc1F 729669633 AKENGTNSBKJCFT-UHFFFAOYSA-N 489.532 1.356 30 10 JDEE Cc1nn(CCO)c(C)c1C=NNc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N 1084322875 ZRIQEXAQRMEXLD-CYBMUJFWSA-N 457.564 1.213 30 10 JDEE COc1cc(NC(=O)CSc2nnc(NN=Cc3ccc(OC)c(O)c3)n2N)cc(OC)c1 1084595632 MPWOXHHEBGGTDT-UHFFFAOYSA-N 473.515 1.900 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC[C@H](CO)O2)c1 1286309953 VADRTVUIPMZZDN-VQTJNVASSA-N 489.536 1.522 30 10 JDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1286349875 PZICHVYJGAPAJV-RCCFBDPRSA-N 461.563 1.946 30 10 JDEE C#CCCCn1c(N2CCN(CC(=O)Nc3cc(C)on3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286360417 UGSKBLYTTWNYQK-DEOSSOPVSA-N 485.589 1.789 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286379889 DOQJHUYGQHYFRO-LJQANCHMSA-N 464.636 1.260 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1286383503 XAAYIGLAMJGJFC-QGZVFWFLSA-N 470.580 1.856 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1286486220 JIDJSPVRBNGULP-XDHUDOTRSA-N 465.558 1.442 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286562788 STSXEFNYJLIVBO-QFBILLFUSA-N 463.608 1.568 30 10 JDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1286608424 QCOMZEWWZRDYNT-RTWAWAEBSA-N 460.623 1.898 30 10 JDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1286692142 BMBQOTOXGWKBAU-QGZVFWFLSA-N 459.576 1.896 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1286782671 BWZMQWWOGQJAGN-UHFFFAOYSA-N 479.629 1.944 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)=O)CC1 1286798889 MXESOQJHXGTTHQ-LJQANCHMSA-N 473.599 1.898 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(O)CCS(=O)(=O)CC2)C1 1286814139 LDZJKRSGJJKBOL-IPMKNSEASA-N 482.647 1.918 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H]3CCCN3C[C@H]2C)nnc1[C@]1(OCC)CCOC1 1286825027 LASRSDJYYMIAPY-LQWHRVPQSA-N 453.609 1.204 30 10 JDEE C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1)N(C)C1CC1 1288651199 FWKRSTZKBSVCRW-HGHGUNKESA-N 465.624 1.224 30 10 JDEE CCN(CC)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1295540063 AAMDVSSRJIRXQD-GHTZIAJQSA-N 467.640 1.473 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300478881 FHMGZWYQTYCZIF-ZCNNSNEGSA-N 455.584 1.847 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300483304 KMGHDGLBGAKERH-SFHVURJKSA-N 473.599 1.743 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCC1(COC)CCCC1)[C@H]1CCS(=O)(=O)C1 1300491509 HWKITRQTPJNQGZ-ZWKOTPCHSA-N 463.604 1.453 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccnc(OCC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1300495236 FXAJKUJYGJXACQ-IAGOWNOFSA-N 499.515 1.793 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCNC(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1300498459 KMCWCLSRLLZWIL-SFHVURJKSA-N 484.607 1.382 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)CCOC 1300648577 GCORVFGPMKFFPL-PGRDOPGGSA-N 464.563 1.747 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1300690889 KVEYEESOYMLTTM-UUOWRZLLSA-N 455.559 1.648 30 10 JDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1300705611 AXXOILUTKBTWGE-UHFFFAOYSA-N 479.673 1.853 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1300733778 NQJNSOFRNQNHRK-ZWKOTPCHSA-N 496.703 1.730 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)COC)CC1 1300892793 VNXDATYIFAIKCQ-UWJYYQICSA-N 460.604 1.910 30 10 JDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)c1ccccc1 1301003101 DCRGWLWLNYICNS-UHFFFAOYSA-N 460.604 1.990 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1301241830 XCUSKOLEQAVMTH-QGZVFWFLSA-N 476.603 1.455 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1301497129 PEACVHFJPLLTMJ-HOTGVXAUSA-N 461.592 1.544 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1301505823 BJROFFAOYHTJKG-AUSIDOKSSA-N 497.619 1.689 30 10 JDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C1 1315102547 ICTMVHKLFIJNCK-SFHVURJKSA-N 455.515 1.660 30 10 JDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1358915897 SVHOODQKCFCTTC-UHFFFAOYSA-N 455.607 1.339 30 10 JDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1358940205 QYOYIIUGAUNEGZ-QFIPXVFZSA-N 462.572 1.871 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1358959192 DIQPYTIPBFHTER-GOSISDBHSA-N 471.583 1.639 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1358966977 ATCKHKNIPPUAGP-BRWVUGGUSA-N 475.537 1.641 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCOCCS(C)(=O)=O)CC1 1359042977 BLELVJPWZUSCCT-UHFFFAOYSA-N 494.017 1.626 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1CCOCC1 1359089339 GZXQXZYZOLJCMW-UYAOXDASSA-N 455.563 1.675 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(C(=O)NCC)c2)CC1 1359165619 SRCPCSOHSNTEAT-FQEVSTJZSA-N 488.614 1.565 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1359296482 KWQMVTDGQHYHIP-IBGZPJMESA-N 454.575 1.805 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1359326841 KYQBEQCJXPYQNH-HXUWFJFHSA-N 489.598 1.399 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1359336715 ZOYDLGKLYBQPGO-LJQANCHMSA-N 476.559 1.965 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccnc(C)n2)CC1 1359343618 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C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1507808730 UXJXKLQATANKSA-LNLFQRSKSA-N 474.587 1.920 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1508138122 WOHBOHBLFOEJGI-UHFFFAOYSA-N 462.576 1.998 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)CC1 1509771122 GNPNCYHYFULERQ-UHFFFAOYSA-N 467.574 1.290 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2cnn(C)c2)CC1 1516846363 CYTGNASHFGSCIF-UHFFFAOYSA-N 468.587 1.874 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1539040480 UIZDCDAZSVQVDM-SFHVURJKSA-N 460.498 1.318 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1539219498 DADJPTIXQXDRGW-RTWAWAEBSA-N 485.610 1.401 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1539229961 ALRKCIIPDQZGBX-ONTIZHBOSA-N 488.610 1.880 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CCNS(C)(=O)=O 1539301538 PZPBIDQLOZQCNX-UHFFFAOYSA-N 468.352 1.859 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1539361953 KRUJZMGXJLOWFU-MRXNPFEDSA-N 454.556 1.619 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2CCCCS2(=O)=O)CC1 1539461714 JDXJYDDPMLFOMR-HXUWFJFHSA-N 487.626 1.978 30 10 JDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1539517679 QRFMTBISBWHIMN-PMACEKPBSA-N 460.648 1.671 30 10 JDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1539596440 LYZADFBXXKWCLO-HNNXBMFYSA-N 482.383 1.932 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncc(F)cn2)CC1 1539612056 HALPELBZCPBDKF-SJLPKXTDSA-N 458.542 1.653 30 10 JDEE C=C(C)COCCn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1539759243 GDYWRKNOBWPZSM-GOTSBHOMSA-N 476.578 1.337 30 10 JDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1539759442 HYHLZXALUKBFMW-PMACEKPBSA-N 462.595 1.933 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1539966470 KGTHIZIZOMKHEY-FQEVSTJZSA-N 494.662 1.949 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(SC)c1)C1CC1 1540107648 BZHZUMSWPBEQRC-KRWDZBQOSA-N 464.617 1.931 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1540907094 LHJOYMTWMXWWHN-JOCHJYFZSA-N 475.571 1.531 30 10 JDEE Cc1ccoc1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1542100329 AIYCXHVXOGOVIE-QGZVFWFLSA-N 456.528 1.874 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3C[C@@H](CC(C)C)N(C)C)CC2)c1C#N 1543001792 CGNJCQCKXVMUQW-QUCCMNQESA-N 482.637 1.446 30 10 JDEE CCNC(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)CCC1 1547751726 GHUPCXMBDDGWIF-GOSISDBHSA-N 451.531 1.074 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N(CCCNC(=O)OC(C)(C)C)CC2CCCC2)C1=O 1556536701 QRKARJPOEGAEPC-UHFFFAOYSA-N 450.536 1.897 30 10 JDEE N#Cc1cc(CN2CCOCC2)cn(CC(=O)Nc2ccc(CN3CCOCC3)cc2)c1=O 1559415744 GHTAPEYAZVLCDI-UHFFFAOYSA-N 451.527 1.023 30 10 JDEE C#C[C@H]1CC[C@H](NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)CC1 1583759384 XCJYPAROCUAMKO-IYARVYRRSA-N 458.584 1.835 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](OCC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588024812 MPZNCHSSOBYQCZ-LEWJYISDSA-N 485.610 1.919 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1588069886 UPMBKJVZSAINIT-XLIONFOSSA-N 460.556 1.671 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1588074554 OKTDZNOCGGDZJZ-JZXOWHBKSA-N 465.601 1.328 30 10 JDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCC[C@H]1C(=O)N(C)C 1588315037 YILDKNPDRFLXTI-FQEVSTJZSA-N 476.585 1.996 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCS(=O)(=O)CC)CC1 1588898880 GLSAUUZLCZIKNA-UHFFFAOYSA-N 489.598 1.363 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CC=CCC1 1589069334 KBHBIABTDYNNBC-ROUUACIJSA-N 453.634 1.770 30 10 JDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1595570181 ZNZYRWAOMVWUOU-UHFFFAOYSA-N 454.623 1.986 30 10 JDEE C=CCNC(=O)Cn1c(N2CCCN(Cc3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1595602167 GHXPRVVWGSCBNE-RUZDIDTESA-N 468.602 1.945 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1595766421 QCGLKCBEMSJJLI-XLIONFOSSA-N 490.586 1.611 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1595812119 NPHWFUOSHNNVJP-MRXNPFEDSA-N 450.590 1.087 30 10 JDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 1627156684 GZNLDQXEHWNKOG-DYESRHJHSA-N 454.552 1.575 30 10 JDEE COc1cc(C#N)ccc1OCC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 1627743210 HZVCURWFAWXWNQ-UHFFFAOYSA-N 458.540 1.198 30 10 JDEE C#CCn1ccc(CN(CC)C(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)n1 1631534896 OUECPFOPVDTQCX-UHFFFAOYSA-N 458.588 1.184 30 10 JDEE COC(=O)c1cc(C#N)c(=O)n(CC(=O)N(c2ccc(C)c(C)c2)[C@H]2C=CS(=O)(=O)C2)c1 1643621329 CVLAFDBNRJYERM-IBGZPJMESA-N 455.492 1.467 30 10 JDEE N#Cc1ccc([C@@H](C(N)=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 1657122708 HLMGWIMLVAGASW-NRFANRHFSA-N 456.524 1.252 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC2(S(=O)(=O)NC(C)(C)C)CC2)cc1 1673398919 TYUMJGXYVCXMDM-UHFFFAOYSA-N 458.606 1.865 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccnc(OCC2CC2)c1)[C@@H]1CCS(=O)(=O)C1 1689978594 ZXDPZDKPXBSFTD-LJQANCHMSA-N 486.598 1.275 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689986851 YAWHUNUSPBRWTA-HXUWFJFHSA-N 457.600 1.603 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1690093722 IADFBEHAPWEEPZ-SFHVURJKSA-N 472.977 1.862 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccccc2)CC1 1690144227 QDAZPSLEHRNUSI-XLIONFOSSA-N 450.543 1.663 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(O)c1 1690485315 PJJDVIDJHLTOPK-LJQANCHMSA-N 465.576 1.928 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(OC)c1 1690527977 VRCQDOLEULFTAI-SFHVURJKSA-N 451.549 1.299 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCC(=O)N2)C1)C(C)C 1690581481 SJIINVIZUFBFLT-YOSAUDMPSA-N 490.674 1.738 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1690672744 BRNWUMRWWYAECM-UHFFFAOYSA-N 451.575 1.795 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@]2(CCSC2)C1 1690714812 VTVHDLLBUVRHBA-HXUWFJFHSA-N 462.601 1.860 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1690783642 NHNJALGBXHOUBE-WXVFVKJXSA-N 467.530 1.678 30 10 JDEE CCN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1695719799 GTWBCXFJPJLWPE-LJQANCHMSA-N 459.572 1.762 30 10 JDEE CCNC(=O)C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1695911465 AVAMYSFBJHIWLZ-GOSISDBHSA-N 482.564 1.729 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1696501137 BNVAPSXAUQCFQI-FQEVSTJZSA-N 497.629 1.881 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1696688999 BWTMREWVFXZDHX-RTBURBONSA-N 492.627 1.112 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(C)C 1705495919 XMNFKGATEKYGGQ-YLJYHZDGSA-N 461.588 1.904 30 10 JDEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705526574 MONKBZNIXBLCOO-UHFFFAOYSA-N 488.539 1.941 30 10 JDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1705531662 RLIZIJDYLTVJSV-CYBMUJFWSA-N 452.437 1.924 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCCN1CCC[C@H]1CO)[C@H]1CCS(=O)(=O)C1 1705563476 YJSXQAWXGQLDGJ-GOTSBHOMSA-N 496.637 1.680 30 10 JDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705654268 BHTJWPHWJCYNHA-GOSISDBHSA-N 458.613 1.949 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)Cc1ccccc1OC 1705903058 PGQHUTOAOCDIQQ-WMZOPIPTSA-N 461.588 1.558 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](Cc3noc(C)n3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705909240 RCTLDWFGTBDBGJ-JPYJTQIMSA-N 473.578 1.771 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nncn2-c2ccccc2)C1 1705915088 IBTSKJIOZTXLOS-FUHWJXTLSA-N 472.575 1.299 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1705932044 JBJUXZRKHZJJQJ-UHFFFAOYSA-N 451.512 1.476 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)CC1 1706650283 GLQOJASPGSJYPN-UHFFFAOYSA-N 480.617 1.626 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1722283777 UJTHAHQVQZANPN-WIYYLYMNSA-N 476.589 1.321 30 10 JDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722341903 OLDKJFHHRHWGTK-SWUCNREESA-N 472.634 1.794 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1CCCN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1722367514 LZFGERJOUUGFKL-OAQYLSRUSA-N 462.664 1.590 30 10 JDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1722421826 NFNCOXCLYGIFEZ-ZWKOTPCHSA-N 498.650 1.621 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1722448394 SYJTZWOSMYBKTM-YADARESESA-N 468.558 1.313 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1722460858 ZXHJOHFJAZMUCU-ZWKOTPCHSA-N 468.645 1.569 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1722491696 NPFYBZMWWASLFE-RWQQGDIJSA-N 463.608 1.046 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCOC)CC1 1722495486 XFCDVJSKHDTIPL-VQTJNVASSA-N 474.606 1.474 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722519878 TYLTXWIVRUXILL-GOSISDBHSA-N 462.576 1.113 30 10 JDEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722612449 SPJIYKXUHFLRIQ-UHFFFAOYSA-N 484.601 1.909 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCn2ccnc2C1 1722672030 IRBJLIBYCGYFRT-QZTJIDSGSA-N 461.592 1.249 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cc(OC)ccc1Br 1722697211 JETQUTKOSFCMQX-MRXNPFEDSA-N 477.363 1.939 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1722700996 BXHPWZHDNVZRKS-YADARESESA-N 455.559 1.976 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1722702086 KLCMZLPOSNIIDO-UHFFFAOYSA-N 483.548 1.194 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722725319 JANWATOQLOPSBV-UHFFFAOYSA-N 470.603 1.387 30 10 JDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)N1CCOCC1 1723855189 CAPPCCJKPKFBOX-PXNSSMCTSA-N 474.587 1.073 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(N(C)C)Cc2ccccc2C1 1723933630 GHAIGRHJTSQQDT-IERDGZPVSA-N 475.594 1.429 30 10 JDEE C[C@@H]1CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)C[C@@H](C)O1 1726732412 DRJWMLPSKDWSJC-QZTJIDSGSA-N 460.604 1.797 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccco2)c1 1740564763 WVGHDAHLZWEGLV-KRWDZBQOSA-N 453.524 1.878 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1740616005 PPLJYQGKRZHMIO-IBGZPJMESA-N 464.551 1.909 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1N1CCCCC1 1740631621 SOIBEUJKOOSKFF-LJQANCHMSA-N 454.600 2.000 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cccc(C)n1 1740640883 YKFXFKUDSAWUJF-HXUWFJFHSA-N 456.572 1.020 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NCCOC)CC1 1740756270 GOKCSQIYUIUAAP-SIKLNZKXSA-N 469.590 1.206 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)C(=O)C1 1740883716 CWRQVERQRPZNNG-UHFFFAOYSA-N 459.572 1.752 30 10 JDEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)N(C)C)C1CC1 1740910882 SVTQGWZYWHSATA-QGZVFWFLSA-N 484.623 1.633 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1740963198 CTTJNAALARBHGT-JOCHJYFZSA-N 484.586 1.057 30 10 JDEE CNC(=O)c1cccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)c1 1748158499 ASPHNHOEDJGDLC-IBGZPJMESA-N 456.572 1.522 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748807655 ARJHZLLUDHWFAN-FXAWDEMLSA-N 488.570 1.201 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(COC)cc1)[C@H]1CCS(=O)(=O)C1 1748817590 MXMSPZNKJWRVTR-PMACEKPBSA-N 492.623 1.002 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1748820743 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C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1748810154 SKSGRQLVDDGMSO-IBGZPJMESA-N 484.582 1.761 30 10 JDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1748817208 GPWOUQKIOZVGTR-APWZRJJASA-N 460.556 1.578 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CC[C@@H](C(F)F)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748818122 VYEOBUKMQIPTGH-MSOLQXFVSA-N 487.617 1.849 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1748824589 RKGRCDCCHQFZQF-QGZVFWFLSA-N 450.536 1.784 30 10 JDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1748994857 UQSMNYNDLRVYSV-VHXPQNKSSA-N 475.553 1.181 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)Cc1ccc(C#N)cc1 1749268674 FGMGBNFKKAUKTI-IBGZPJMESA-N 495.005 1.888 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(N(C)C)CCCC2)CC1 1749303045 DJUABDPHOXTHMB-SFHVURJKSA-N 452.625 1.642 30 10 JDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1)OC 1749326352 CCUYFEDDADWKOG-HXUWFJFHSA-N 476.541 1.299 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1749427221 NFXZGNSNWDIBRH-HBMCJLEFSA-N 492.690 1.963 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1749664224 ZOYQUIDRFVPUOG-GOSISDBHSA-N 466.590 1.212 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749664591 SQKRSBTWOJUKAT-UHFFFAOYSA-N 464.505 1.207 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C#N)C1 1749669015 BOXFVJRXIPJHMV-DLBZAZTESA-N 459.551 1.424 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCS(=O)(=O)c2ccccc2)C1 1749718699 YJUKYSUMICIQOX-GOSISDBHSA-N 459.572 1.656 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCN(CCOC)CC1 1749727571 XRMYPEPHRAQNOW-UHFFFAOYSA-N 470.599 1.863 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCN(CC)C(=O)C1 1749730845 SQCSQRPWNGTZSJ-UHFFFAOYSA-N 483.598 1.790 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1749734794 NAWJNYULSAMJOZ-KRWDZBQOSA-N 473.665 1.472 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1749738365 KPQJJHAZXYDZRX-AZUAARDMSA-N 473.599 1.823 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1749740788 KBCYTUBLFNZTCV-OAHLLOKOSA-N 479.525 1.625 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c(c1)CCO2 1751095786 GTHGFUCERVNVAY-OXQOHEQNSA-N 474.587 1.527 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1760178802 AXFZUWUWQRYQBK-SFHVURJKSA-N 492.001 1.873 30 10 JDEE C#CCN(c1nnc(C)n1C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCS(=O)(=O)C1 1760181225 RCXVCGBXOLPUKZ-YADHBBJMSA-N 457.600 1.504 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCOc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1760183028 NZRICLBTTRYOLG-QZTJIDSGSA-N 471.583 1.609 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1760187892 LQTPPSHPYMKZTD-QZTJIDSGSA-N 453.634 1.195 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 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CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(N)=O)CC2)CC1 1767155882 CHZCAFBICSJSNV-UHFFFAOYSA-N 450.591 1.546 30 10 JDEE CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1768186307 HEGVTOSJONIYSJ-NRFANRHFSA-N 462.576 1.673 30 10 JDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)NC2CCCCC2)C1 1771529057 HSUQBNFAECXJBE-MGPUTAFESA-N 452.556 1.461 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N1CCN(c2ccccc2)CC1 1772563956 MVTAITRJJKUTGN-GOSISDBHSA-N 458.588 1.151 30 10 JDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 1859013308 XRRKUDDSVLZYNH-OAHLLOKOSA-N 483.502 1.078 30 10 JDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc2c(c1)OCCO2 1862630895 DHAKSSNMFHBJEB-OAQYLSRUSA-N 466.446 1.901 30 10 JDEE C=CCN(CC=C)c1nc(=NCCCN2CCOCC2)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871541151 UJEKHTLYMLRHCO-UHFFFAOYSA-N 469.590 1.789 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H]3CC(=O)N(c4cccc(C)c4)C3)CC2)CC1 1889509162 XIBBJIZHASCZGS-QHCPKHFHSA-N 466.626 1.996 30 10 JDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 1892272958 HEKXURXLIYQDFT-JOCHJYFZSA-N 496.593 1.804 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)C1 1892795843 CTWVILFIRSGRDM-MRXNPFEDSA-N 470.397 1.811 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255753134 PJIWFHXAQPRWRW-HZPDHXFCSA-N 453.370 1.715 30 10 JDEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255833555 FHQVFZJOZGRRQX-KBPBESRZSA-N 452.386 1.790 30 10 JDEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC1(F)F 2256729645 URUPINVLBUOBAG-QGZVFWFLSA-N 460.312 1.748 30 10 JDEE Cn1ncc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)c1B1OC(C)(C)C(C)(C)O1 2267008477 HFUKUKZLNCSTKN-GJZGRUSLSA-N 452.336 1.797 30 10 JDEE CCN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267715819 CYVYMRHAKJBPSW-UHFFFAOYSA-N 470.401 1.349 30 10 JDEE CN(Cc1ccccc1)C[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269036750 FWFMQSUVTCFHEA-QGZVFWFLSA-N 480.417 1.911 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@](O)(CNC(=O)OC(C)(C)C)C2)n1 2282553366 WXYQWYSLTQXXME-QFIPXVFZSA-N 464.372 1.211 30 10 JDEE Cc1nn(C)c(C(=O)NC[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2282555923 ACQSYVHBZPYXJK-MUJYYYPQSA-N 460.384 1.870 30 10 JDEE CN(CCCCN(C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2282837880 XWXWWZOWOVURNE-UHFFFAOYSA-N 486.444 1.987 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282862642 GHFVUIAXUXOTDN-GJZGRUSLSA-N 484.428 1.501 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@H](OCCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2289962320 YGQSWZCUMJSHHK-HNNXBMFYSA-N 464.372 1.855 30 10 JDEE Cn1c(=O)c2c(nc(NN=Cc3ccc([N+](=O)[O-])cc3)n2C[C@H](O)COc2ccccc2)n(C)c1=O 2327751711 ZZXQIKNBEOYRGY-KRWDZBQOSA-N 493.480 1.228 30 10 JDEE Cc1ccc(OC[C@H](O)Cn2c(NN=Cc3ccc(O)cc3O)nc3c2c(O)nc(=O)n3C)cc1 2327754087 LBPSZBIAUDDMKV-MRXNPFEDSA-N 480.481 1.441 30 10 JDEE C=C(CS(=O)(=O)N1CCNC(=O)[C@H]1C1CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2379840977 GTPDCMSLBWDGHC-MRXNPFEDSA-N 485.412 1.171 30 10 JDEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(O)cc3)n2)cc1 21078013 UEUMLUUPRYMHNR-RGVLZGJSSA-N 475.556 1.985 30 10 JDEE CCOC(=O)/C=c1/s/c(=C/c2ccc(C#N)cc2)c(=O)n1CC(=O)NCC1CCCCC1 33527976 CRWKVDNBUULLGB-OQQHTXQFSA-N 453.564 1.650 30 10 JDEE O=C(/N=C(/NCCN1CCOCC1)Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)OCO2 46135039 RXXPCTTULZYIIM-UHFFFAOYSA-N 454.483 1.717 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCCO3)c(=O)n1CCCSC 514491206 WEHVOXMZGAAONQ-UHFFFAOYSA-N 487.603 1.248 30 10 JDEE COC1CCN(C(C)(C)CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 518085304 NSQCOZDEGCGOCK-UHFFFAOYSA-N 463.604 1.464 30 10 JDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1cccs1 729670113 IPGSCIRIYCBQQY-UHFFFAOYSA-N 479.587 1.323 30 10 JDEE COc1cc(C=NNc2nnc(SCC(=O)Nc3cccc(F)c3)n2N)cc([N+](=O)[O-])c1O 1083979426 VPIKGZOXUJXCCV-UHFFFAOYSA-N 476.450 1.930 30 10 JDEE COCCn1cc(C=NNc2nnc(SCC(=O)Nc3c(F)cccc3F)n2N)cn1 1084609263 WAWNMRCRPCIULP-UHFFFAOYSA-N 451.463 1.290 30 10 JDEE C#CCn1cc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cn1 1156661754 HISPHJGSEMQNGE-HUUCEWRRSA-N 450.948 1.898 30 10 JDEE N#Cc1cn(CCNS(=O)(=O)c2ccc(OCC(F)F)c3ccccc23)c(=O)nc1O 1192714922 GJYPQVZVMXJULG-UHFFFAOYSA-N 450.423 1.596 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2ccc(F)cc12 1286296891 SGERGOYFVFQVEF-YWZLYKJASA-N 474.562 1.932 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1286323994 NBXXIVZAMQRROV-PGRDOPGGSA-N 481.619 1.189 30 10 JDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@@H](C(F)F)N1CCOCC1 1286363154 OGBAYHMSLXBYED-KRWDZBQOSA-N 495.600 1.972 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1COc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 1286386136 VJQRWRKTOSJYKQ-IPMKNSEASA-N 490.582 1.469 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1286392667 JEMRAJUNEYWKFP-CABCVRRESA-N 454.503 1.786 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1c1cnn(C)c1 1286457967 YUWAXLNJZOAJOG-GOSISDBHSA-N 463.546 1.414 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ccn(C)n2)CC1 1286472998 GMVUVGHWYIAOGS-UHFFFAOYSA-N 451.531 1.508 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCOCC)CC1 1286474070 ZHHMAHCLJQMCCS-UHFFFAOYSA-N 460.604 1.377 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1286509463 QUHHQWFXFQSNFR-IRXDYDNUSA-N 453.634 1.432 30 10 JDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1286514898 RMEYMAWIEXDENP-QGZVFWFLSA-N 466.589 1.136 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(O)cc2)CC1 1286592641 OFJSWBKLQLSPGL-LJQANCHMSA-N 462.576 1.219 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1286789624 GVIHBARMNCOVHS-HZPDHXFCSA-N 461.567 1.052 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1286792062 LKBBZLCKJSMUSW-QHCPKHFHSA-N 454.531 1.807 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(N3CCCCC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1286793127 SMLOBHRGQOBSAI-QHCPKHFHSA-N 460.579 1.214 30 10 JDEE CC(C)c1nc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cs1 1287169344 AEBOVENRTHMFAZ-HOCLYGCPSA-N 450.590 1.732 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1c(CC)nn(C)c1OC)[C@@H]1CCS(=O)(=O)C1 1300488735 VJQQLRJKKYYCIN-MRXNPFEDSA-N 471.587 1.263 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1300504893 VKQWNMSALLIKII-LJQANCHMSA-N 483.598 1.770 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(COC)c1 1300579276 SJPNULUJCHDRRK-OAQYLSRUSA-N 489.573 1.408 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1300649717 OZLHMWBMNCWQDT-JPYJTQIMSA-N 454.531 1.740 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1300830605 HJCHWPAWKXJLNS-AWEZNQCLSA-N 495.407 1.390 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@@](C)=O)CCC1 1300916182 UINGULFXLLISHA-HYDGNGQDSA-N 459.638 1.315 30 10 JDEE C=C(Cl)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1301033395 HYSGBSLSNIVORH-QGZVFWFLSA-N 471.949 1.940 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCNC(=O)[C@@H](C)CCC)CC1 1301086324 HTFMMOKPWRXBES-ROUUACIJSA-N 468.624 1.320 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCC1)C1CC1 1301326491 AVMQYNNPXACVQQ-IBGZPJMESA-N 452.625 1.642 30 10 JDEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)COC)CC1 1301615102 FNKXYJYODYBJHW-UHFFFAOYSA-N 455.588 1.731 30 10 JDEE C[C@H](CN1CCOCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1303760764 CBJSFFQJRDBEOU-LJQANCHMSA-N 481.601 1.789 30 10 JDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1358919543 FCKKULXBACRAAP-INIZCTEOSA-N 479.006 1.745 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 1358960035 VDJOGTRXHDECDW-ZBKJMMEJSA-N 480.550 1.098 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1358965568 XIFXDUQLXYVYSL-GOSISDBHSA-N 486.623 1.907 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1358966274 LIVDVIUODPPMQE-VXKWHMMOSA-N 487.674 1.887 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1358966888 ZAFRAQDBJLRWQC-JQVVWYNYSA-N 477.631 1.478 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC(O)CC1 1358992198 DEEYUZANPPYQHO-QHCPKHFHSA-N 460.582 1.697 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1359024365 LNBCBUQBYDHSIO-QGZVFWFLSA-N 469.608 1.523 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2CCn2cncn2)CC1 1359047952 ZLNVAPNLOVNHHO-UHFFFAOYSA-N 462.558 1.677 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1359051353 UDMWHUNDUWPHMJ-HXUWFJFHSA-N 499.666 1.738 30 10 JDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(NC(=O)COC)CC1 1359131935 JIXKXGQLMFWISV-UHFFFAOYSA-N 481.557 1.918 30 10 JDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O)C1CC1 1359251810 WODFVMUPBFQGTJ-IAGOWNOFSA-N 461.563 1.818 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1359300584 GFVYGZGNJZNDKI-QGZVFWFLSA-N 458.950 1.700 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(F)ccc2OC)C1 1359313638 PHNDXGDLCKUDEN-WMLDXEAASA-N 453.540 1.866 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCCN(CC(F)(F)F)CC1 1359333787 JYCZNLDWCBSQAG-UHFFFAOYSA-N 472.537 1.939 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359334865 STSSGWLXFPWMSK-SFHVURJKSA-N 474.587 1.322 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)Cc1ccccc1 1360476021 GVUQMERWLUDYEO-HKUYNNGSSA-N 479.628 1.924 30 10 JDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCOC[C@@H]1C 1503237266 HYPBGGVJAYIFTO-ROUUACIJSA-N 460.604 1.797 30 10 JDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccnc(OCC(F)(F)F)c2)CCO1 1505320929 AFECQGZYWGBDFL-OAHLLOKOSA-N 465.436 1.627 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2nncn2CC)c1 1507548948 WZPYPCIODIISFP-UHFFFAOYSA-N 461.530 1.230 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1507617564 VYUYUIWUJGZKOA-ZACQAIPSSA-N 451.593 1.895 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1507631886 GVPVAOLJFPFWRG-PMACEKPBSA-N 476.624 1.472 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1507637991 CPGOVSKPXRJKGA-PXNSSMCTSA-N 473.574 1.970 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(CS(C)(=O)=O)CC1 1507653141 NOKYRQCGJFBDPF-UHFFFAOYSA-N 450.524 1.492 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1ccnc1C 1507663301 WQEUHJUZTJYTFM-UHFFFAOYSA-N 465.583 1.863 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1NC(=O)CC1(C)C 1507700115 OBCQNFJQYXDPAS-CRAIPNDOSA-N 476.578 1.582 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)N2CCc3ccccc32)CC1 1507722279 SMMLEWKLYGSMCY-RBUKOAKNSA-N 471.631 1.095 30 10 JDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507755000 IRNKOTZQGZSQRQ-UHFFFAOYSA-N 496.637 1.537 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1507810267 LDMWBWLTXHVDQI-ZWCUEREDSA-N 483.635 1.429 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1507858392 CSQUZSXLCCITME-INIZCTEOSA-N 474.008 1.619 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1508084403 NVFMVAUBMCYRLY-QGZVFWFLSA-N 457.604 1.679 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@](C)(OC)C1 1508090462 IHJCGQGWAGBYPL-UZUQRXQVSA-N 478.594 1.894 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1508139713 DBMGKFCPMOXINP-IBGZPJMESA-N 465.620 1.612 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CC(=O)N(C)C[C@@H]1C 1508149220 QRWRANBFGGRPDB-INIZCTEOSA-N 463.560 1.133 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(F)cn3)CC2)c1C#N 1511663962 ICYSGZLOGXZTPZ-UHFFFAOYSA-N 466.525 1.239 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1519222035 CWQWRTMYZUBKLE-MBSDFSHPSA-N 456.547 1.037 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)N2CCOCC2)c1 1539043879 VUJFRBHMWPPILJ-HXUWFJFHSA-N 479.585 1.396 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1539204731 COFDHAKYEJQFKV-HXHBTQRASA-N 466.604 1.108 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1539205359 HDORQEXEPWFCPM-AUSIDOKSSA-N 490.630 1.344 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCN1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 1539211655 JUYOYADEMCIKOL-FQEVSTJZSA-N 487.626 1.427 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC[C@@H]2COCCO2)CC1 1539434199 CKZQRJVOGKGHEF-LJQANCHMSA-N 471.558 1.532 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2cnnn2C)CC1 1539474281 MZUVJKXJDHWAFK-UHFFFAOYSA-N 464.530 1.105 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCN(CC)C2)CC1 1539490465 VWSOIBKFSCRTKC-GIVPXCGWSA-N 458.607 1.310 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1539516971 GQOLBIRYKOUTHO-MSOLQXFVSA-N 463.633 1.596 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(O)(CCC)CCC 1539556518 DVKOEEVFHHFOEL-GHTZIAJQSA-N 467.636 1.934 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NCC)CC1 1539634566 BKCHPFNXQZXKMJ-PGRDOPGGSA-N 473.647 1.873 30 10 JDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1540033477 JLDLWQDRFMMGDP-UHFFFAOYSA-N 468.606 1.852 30 10 JDEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1540193657 ASEWVCAJQYCODR-SFHVURJKSA-N 451.535 1.474 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1540862567 FFXDYKNLLIOZHG-JKSUJKDBSA-N 481.648 1.135 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1540867385 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474.631 1.639 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1705646230 BYOOHFLSCZRPHI-GOSISDBHSA-N 466.567 1.217 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1705786449 OHOIAUMAQMMXDG-HOTGVXAUSA-N 452.625 1.986 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@@H]1C(C)C)C1CC1 1705854509 LDYMTRALWOVKJA-NZSAHSFTSA-N 453.609 1.827 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1705900420 CPCLMUVGGKQPOJ-WMZOPIPTSA-N 468.562 1.873 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3cnn(CC)c3)C2)nnc1[C@]1(OCC)CCOC1 1705908374 APLRISDARWVJQG-AVRDEDQJSA-N 459.551 1.027 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1705929697 VZQWPPIMDJFVIG-HTAPYJJXSA-N 478.571 1.197 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1 1712453901 CRBHJYGWPMBCPU-GOSISDBHSA-N 466.539 1.165 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC 1722291088 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450.561 1.559 30 10 JDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN(C)S(=O)(=O)CC)CC1 1760262074 IFLALNYQDLXOHC-UHFFFAOYSA-N 480.585 1.574 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2(OC)CCOC2)CC1 1760270127 LSRVJZVTRMJRMJ-XMMPIXPASA-N 455.534 1.779 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1760271373 WFMXEIHQLPIWPN-UHFFFAOYSA-N 485.610 1.709 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1760275689 FIMVJFYQBMDGJD-KRWDZBQOSA-N 490.655 1.654 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccccc2F)CC1 1760514342 BUFOJFPVLBVTHM-UHFFFAOYSA-N 457.554 1.964 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1760517449 MPIXCYBBVZUHKE-QHCPKHFHSA-N 473.530 1.269 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)c2ccco2)C1 1760535834 XWXTYBACYKZJIA-MRXNPFEDSA-N 451.487 1.730 30 10 JDEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)NCC)CC1 1760566120 LVJSOSFWOGASOF-HXUWFJFHSA-N 472.615 1.968 30 10 JDEE CC(C)(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1760769798 FFICNRRMMWWWBD-UHFFFAOYSA-N 461.592 1.198 30 10 JDEE CO[C@H]1COCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1770659209 DAWNCCFLOSSWAN-MOPGFXCFSA-N 468.562 1.061 30 10 JDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H]2OC)CC1 1770681174 DSDDZNVUJWFLMF-PZJWPPBQSA-N 468.558 1.839 30 10 JDEE C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)CC1=O 1870148776 CFQKCNPIUAMBMV-ZBFHGGJFSA-N 483.488 1.913 30 10 JDEE C#CCOc1cn(CCc2ccc(OCC)c(OCC)c2)c(CN(CCO)CCO)cc1=O 1870563567 GXLANONWAQOCDY-UHFFFAOYSA-N 458.555 1.687 30 10 JDEE COc1ccc(OC)c(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1 1874273867 LQVUTLLKMYKBIH-WUJFOHIQSA-N 460.560 1.869 30 10 JDEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C 2267145739 GKSRZNHQOTVCFL-CQSZACIVSA-N 450.341 1.610 30 10 JDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267156979 QWROVPWUACLIDN-AWEZNQCLSA-N 469.775 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Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NC[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)OC(C)(C)C 2281938790 SLQMYTFCNGHEKG-BZUAXINKSA-N 482.408 1.427 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2281981390 YPOXOPQLWSGHJA-DXEWXGHRSA-N 462.356 1.509 30 10 JDEE Cc1nn(C)c(C(=O)N=[S@@]2(=O)CC[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281986446 QXIXQYOZSHWCNQ-RPLXOIEJSA-N 482.412 1.933 30 10 JDEE Cn1cc(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)nc1B1OC(C)(C)C(C)(C)O1 2282062777 CSYPXJPWFHCRDW-HNNXBMFYSA-N 464.372 1.475 30 10 JDEE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)COC1 2282316858 IXIKLHUPCHQMNI-UHFFFAOYSA-N 486.371 1.697 30 10 JDEE CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282492944 UKOIQTYQWFRYTR-HNNXBMFYSA-N 484.428 1.739 30 10 JDEE CC1(C)OB(c2cnsc2C(=O)NC2(C(N)=O)CCN(Cc3ccccc3)CC2)OC1(C)C 2282614811 LBKKPHMOQUSPII-UHFFFAOYSA-N 470.404 1.692 30 10 JDEE C[C@@H]1[C@@H](C)N(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2282835471 VGEOTCLOQQWWIN-HUUCEWRRSA-N 484.428 1.738 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@]2(CNC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@H]1CO2 2283056103 LMQZCHJBCMKVFC-FPTDNZKUSA-N 460.340 1.284 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2284117176 CZNBQGKUPLQIOD-BHYGNILZSA-N 466.315 1.405 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2337401411 JIGSGJYVDLTADN-DZGCQCFKSA-N 467.397 1.790 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCOCCCNC(=O)OC(C)(C)C)n1C 2362494161 UWSDQBPAPCZILU-UHFFFAOYSA-N 466.388 1.689 30 10 JDEE Cc1c(/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c(N2CCOCC2)n(C)c(=O)c1C#N 12938799 MOUPVQAIMCIXCC-NGWPFTMJSA-N 460.581 1.782 30 10 JDEE COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)c1 20527457 MLYKYCYIEREMPQ-AWQFTUOYSA-N 458.460 1.791 30 10 JDEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)cc1O 21316848 FIZBRBSKUCHQBI-AWQFTUOYSA-N 458.460 1.791 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)CC1 32272565 WVFBWTWWLMMDDT-UHFFFAOYSA-N 474.558 1.995 30 10 JDEE CC/C(C)=N/Nc1nc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)n[nH]1 59889374 BJXXOOOBDQOIEA-HYARGMPZSA-N 480.620 1.669 30 10 JDEE COc1ccc(OC)c([C@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)c1 72444257 JBTQAXVFJGXYNS-NVXWUHKLSA-N 467.482 1.354 30 10 JDEE C=CCNC(=O)CN1CCN(c2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)CC1 105363684 RDLFZCBPRVATHQ-UHFFFAOYSA-N 470.643 1.827 30 10 JDEE C=CCNC(=O)CN1CCN(c2nc(CN(C)C)nc3sc(C(=O)OCC)c(C)c23)CC1 514727074 OQXJMYLIVKCITG-UHFFFAOYSA-N 460.604 1.662 30 10 JDEE C#CCNC(=O)CN1CCN(Cc2nc3cc(-c4ccc(OC)cc4)sc3c(=O)[nH]2)CC1 728572857 NNNKPRNAUJHLPJ-UHFFFAOYSA-N 451.552 1.527 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](Oc3ccnc(CN(C)CC)c3)C2)c1 856639899 HRMKYSQZADAWOR-OAQYLSRUSA-N 456.568 1.738 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2cnn(-c3ccccc3)c2)c1 857836276 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C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cnn(CC)c2)CC1 1286472710 CLXFJZXBRQIWQB-UHFFFAOYSA-N 453.572 1.369 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2Cc2cnn(CCOC)c2)CC1 1286484834 XWIXWXLUCKKFPP-UHFFFAOYSA-N 453.522 1.643 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccccc2)N(C)C)CC1 1286490383 SOZOPOZBDFPALJ-QFIPXVFZSA-N 460.586 1.947 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOC(C)C)CC1 1286493823 QFKRZPPTODVEPI-UHFFFAOYSA-N 480.617 1.843 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1286509657 VUURKLFXFOQMLI-QZTJIDSGSA-N 485.676 1.761 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1286607129 BKALNXKIKGOKGY-ROUUACIJSA-N 453.609 1.466 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nc3cc(OC)ccc3n2C)CC1 1286637324 BMCBJGYQEKSNEQ-HNNXBMFYSA-N 459.576 1.988 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286789417 SAEBHNCRLZBDQY-UHFFFAOYSA-N 478.532 1.131 30 10 JDEE Cc1cccc([C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)N2CCOCC2)c1 1289893270 GGOZEDLQHLGIIG-ZJOUEHCJSA-N 489.646 1.866 30 10 JDEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)CC1 1297717981 FKMHBILQAVXZIP-UHFFFAOYSA-N 469.575 1.244 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCNC(=O)Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1300487245 IKFYBGOUSMAQAK-LJQANCHMSA-N 484.557 1.398 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC1(O)CCOCC1 1300527343 FVNPPTKYCMCWBS-UHFFFAOYSA-N 456.572 1.243 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1300710871 OMTBBPKSISYDKI-UWHLTILDSA-N 488.633 1.856 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1300874367 MEUNXMZDXMULDA-RWQQGDIJSA-N 479.607 1.181 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1301501291 UVKGWKHCUXVJGA-WBVHZDCISA-N 462.576 1.319 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1301501423 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1359043707 FGKTXDGPJAAWMF-IBGZPJMESA-N 475.544 1.595 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCOc2ccc(OC)cc2)CC1 1359045959 YYULAYSAZPRCLJ-IBGZPJMESA-N 453.543 1.835 30 10 JDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359050987 JBOXSLRDRUSFGZ-IBGZPJMESA-N 484.582 1.801 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1359287850 ZCEFTOZVKFKVFN-HXUWFJFHSA-N 454.556 1.962 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1359291582 WFUARKIANUXQJL-FQEVSTJZSA-N 468.558 1.620 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1359304121 MRJCHOABHJVOPV-PZJWPPBQSA-N 454.575 1.625 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(c2cccnn2)CC1 1359330679 ZEDGGPNQJOUBJW-UHFFFAOYSA-N 453.572 1.971 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCN(c2ccncc2)CC1 1359473479 CUHORCWNZBFGBQ-UXHICEINSA-N 486.646 1.383 30 10 JDEE C=CCn1cc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)nn1 1469215487 BMTIIIJZHSXSEL-UHFFFAOYSA-N 455.496 1.966 30 10 JDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(=O)n(CCN(C)C)c1 1472538977 ANMICUJQKKKKAH-SFHVURJKSA-N 459.572 1.646 30 10 JDEE CCCNC(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)c1 1501078520 FUGKVOGYCGKYHM-IBGZPJMESA-N 451.531 1.431 30 10 JDEE CSC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)CC1 1505190733 DOMIYLNCTKHWTL-INIZCTEOSA-N 454.622 1.637 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1507573988 KYEXZWPHAJOZEN-INIZCTEOSA-N 464.567 1.776 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1507590642 FPHDGQOPZPJWEJ-OAHLLOKOSA-N 461.510 1.489 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1C 1507671978 SIKLJLNXNGNIAM-OAQYLSRUSA-N 455.584 1.625 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1507739181 NYNPXFVSBGXKDB-RBBKRZOGSA-N 496.587 1.969 30 10 JDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1507751392 NSVUJCVLDBYIQF-FQEVSTJZSA-N 462.664 1.919 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507954351 LQBJVWBZOQLUQN-NRSPTQNISA-N 478.663 1.525 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC=CCC2)C1 1508127540 VQIXXSQIUDEYGT-GUDVDZBRSA-N 451.593 1.749 30 10 JDEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCNC(=O)c1cc[nH]n1 1513013856 BINSPVAZLOVAGQ-HNNXBMFYSA-N 465.566 1.185 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCCS2(=O)=O)C1 1521069164 FCQIOXSVRJERAO-KUHUBIRLSA-N 466.564 1.679 30 10 JDEE C#CCCCCn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@@]1(OC(C)C)CCOC1 1539086273 CRYKMIVYBIAIFA-HSZRJFAPSA-N 458.563 1.643 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCS(=O)(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539224440 HEYYZLWJJUXQPG-SFHVURJKSA-N 479.628 1.104 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CCOCC1 1539409046 MKRWQZYQPSACIJ-UHFFFAOYSA-N 466.542 1.302 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1539431287 QUAMLJKSXFEWQL-YLJYHZDGSA-N 477.610 1.086 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ncnn2C(C)(C)C)CC1 1539467801 ZLBGFNFIEIRBAP-UHFFFAOYSA-N 483.621 1.557 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(OC)CCOC2)CC1 1539470792 ZPIIPQDUIHHXQY-DEOSSOPVSA-N 453.543 1.725 30 10 JDEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(N)=O)C1 1540034059 VDMIEROWRKCCOF-QGZVFWFLSA-N 465.558 1.969 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1C[C@@]1(O)CCS(=O)(=O)C1 1540121217 IKGOCGSMSHEYGE-QFIPXVFZSA-N 452.540 1.887 30 10 JDEE C=CCn1c(N2CCC(CNC(=O)c3cnn(C)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540861031 YXKLUJGAPZSGCE-HSZRJFAPSA-N 457.579 1.885 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1540871067 COFGRSYXMLQRMA-FXAWDEMLSA-N 468.558 1.834 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1540871841 VIZGHCYKZFNZPJ-OTWHNJEPSA-N 489.621 1.562 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1540872881 DMOFBPOJWHAILI-UHFFFAOYSA-N 455.469 1.919 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](C(=O)NC)C1 1540908420 GNGKJAMNWGBHET-MRXNPFEDSA-N 465.551 1.559 30 10 JDEE CC(C)C(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1541259624 DXFLNYGPHJJIDP-HSZRJFAPSA-N 486.598 1.061 30 10 JDEE Cc1n[nH]cc1CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1542054845 IDMHTQFXNRECNQ-YOEHRIQHSA-N 450.569 1.014 30 10 JDEE CCCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1547251665 DDDJBHRPKWZOGY-KRWDZBQOSA-N 475.557 1.857 30 10 JDEE COC1CCN(C2(Cn3c([C@H](C)NS(C)(=O)=O)nnc3N3CC[C@@](F)(C#N)C3)CCCC2)CC1 1555159770 CBFOLFCWYBNHHW-LAUBAEHRSA-N 497.641 1.754 30 10 JDEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1555844978 FAFMGEISPBYQKA-JKSUJKDBSA-N 464.617 1.950 30 10 JDEE N#CC[C@H]1CCCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 1584317404 DSNUFMKIAYEXMF-QGZVFWFLSA-N 450.536 1.591 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(CC(F)(F)F)CC1 1587562433 PDPSQTLLMGFZEI-KBPBESRZSA-N 450.531 1.621 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1ccc(C)n(C)c1=O)[C@H]1CCS(=O)(=O)C1 1588069131 HSEFYUZSZSKXFY-IBGZPJMESA-N 499.568 1.678 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCn2cc([C@H]3CCOC3)cn2)CC1 1588884528 DCDMTPUZTSRMEC-IBGZPJMESA-N 453.591 1.942 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1588930485 XKONGVWSIMQUHU-PZJWPPBQSA-N 456.591 1.744 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(C)c(OC)c2)CC1 1588930488 XKRODBJFAAKDTE-OAQYLSRUSA-N 499.637 1.706 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1588961769 LNCKTZZUAZUMSG-IBGZPJMESA-N 496.593 1.129 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1589053840 VQIODROTRIZKOE-RHSMWYFYSA-N 462.601 1.440 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1589546471 RHGMEBOHKCSJCF-VWPQPMDRSA-N 460.623 1.754 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1595405410 NYNQPVMWXCYHQR-FQEVSTJZSA-N 475.615 1.619 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1595517205 SRUNXEIGGJBBIS-SFHVURJKSA-N 468.558 1.760 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(F)c(F)c2)C1 1595730426 WATLACJZLLPZPH-XLIONFOSSA-N 497.568 1.913 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1595811840 CJRMFNHMAZKMGX-MBSDFSHPSA-N 488.614 1.968 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1595812659 YKYOFJPRKHSQSQ-UHFFFAOYSA-N 486.623 1.889 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1595822061 GHGOLYMRQCHNKE-KRWDZBQOSA-N 450.565 1.881 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCC(F)(F)F 1596813170 GIOMHOLIYNHDSI-GFCCVEGCSA-N 472.497 1.513 30 10 JDEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1614348995 GBJNHXKPQAITTN-UWJYYQICSA-N 467.574 1.710 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1618842701 AZCIBJDFBJXDAW-UHFFFAOYSA-N 489.993 1.079 30 10 JDEE CO[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)C 1619005070 GXGZOFSMPMCMPQ-LJQANCHMSA-N 452.563 1.665 30 10 JDEE C#CCCN1CCC(NC(=O)CNS(=O)(=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)CC1 1629897818 ULJNZZDHSQLOIF-UHFFFAOYSA-N 451.549 1.297 30 10 JDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3cccc4cc(C)cnc34)CC2)C1 1638392665 JZEUNUJLJUWPKN-HXUWFJFHSA-N 455.584 1.657 30 10 JDEE C#CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)CC1 1642207824 BMWAKYHNXUEDME-UHFFFAOYSA-N 459.490 1.763 30 10 JDEE N#Cc1ccnc(N2CCN(C(=O)NCCN3CCN(C(=O)C4CCCCC4)CC3)CC2)c1 1677599827 CSMLLWMFYSZLJK-UHFFFAOYSA-N 453.591 1.509 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC)c1OC 1689850865 IHXFJFWEDFQRBN-RDJZCZTQSA-N 462.572 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CO[C@H]1C[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267525113 ZWINPZQSWUZFPP-KGLIPLIRSA-N 450.345 1.463 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2282177186 YIORSXAMPSNGQS-LSDHHAIUSA-N 463.388 1.928 30 10 JDEE CC(C)(C)OC(=O)NC[C@]1(O)CCCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282190560 QXSUZXYFUDOVRX-JOCHJYFZSA-N 462.356 1.268 30 10 JDEE Cc1cc(S(=O)(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2282835264 RJSSNEHEUDKGAZ-QFIPXVFZSA-N 484.424 1.848 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282860236 XNAMTHGNFHFXMK-JOCHJYFZSA-N 482.408 1.636 30 10 JDEE Cc1nc(NC(=O)[C@@H]2C[C@H](O)CN(C(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2283945044 VTCCRYPQFJUABZ-CABCVRRESA-N 462.356 1.641 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CNc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2339398742 KJJNTDZWBIZGJF-OAGGEKHMSA-N 469.775 1.787 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Nc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1 2366921493 HOMJBPMKJKANJL-AWEZNQCLSA-N 469.294 1.971 30 10 JDEE COCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCSCC2)SC1=S 33392902 PAUAEELRZBNEFN-GDNBJRDFSA-N 450.611 1.966 30 10 JDEE Nn1c(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccccc1 253577026 WOGMTLWLNIGUEX-DJKKODMXSA-N 457.432 1.985 30 10 JDEE COc1ccc(CCN2C(=NC(=O)CCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC 254481731 JNVVLYWDBULAQT-XJKSGUPXSA-N 456.542 1.208 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)c2ccc3c(c2)NC(=O)CO3)nc1C 586305476 XVWPFBRGXWJCSA-YTTGMZPUSA-N 477.520 1.695 30 10 JDEE CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCS(C)(=O)=O 729672852 LSODCPFMQNZMRR-UHFFFAOYSA-N 472.592 1.110 30 10 JDEE C=CCn1cc(C=NNc2nc(SCC(=O)N3CCN(Cc4nnc(CC)o4)CC3)n[nH]2)cn1 1084358912 DESMBTVZCLFCEB-UHFFFAOYSA-N 485.578 1.015 30 10 JDEE Cn1ncc(C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)c1-n1cnnc1 1144758210 BWJQROURTLOFEV-QGZVFWFLSA-N 455.320 1.786 30 10 JDEE CC#CC[C@@H](CO)NS(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1212392419 JUCVKARRKVKGTA-NSHDSACASA-N 451.282 1.439 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@H](C)N2CCN(CC)CC2)c1 1286310147 BRBKNDDYXBDLJU-UNMCSNQZSA-N 479.629 1.864 30 10 JDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N2CCN(CC)CC2)nc1 1286359499 XWPVFPJIZLXXSD-UHFFFAOYSA-N 452.607 1.851 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1286396988 ZUMPGLJSFFMXMW-QZTJIDSGSA-N 450.536 1.489 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286545883 CMJVVYIQZWQJFZ-QRQLOZEOSA-N 459.595 1.734 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]2CCC[C@@H]21 1286607461 HCASVFWHFDWCSS-QYZOEREBSA-N 453.609 1.973 30 10 JDEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1286662515 NIUXCRNZFUTKGB-UHFFFAOYSA-N 457.560 1.774 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCO[C@@H]1C 1286740838 XSRLGKUDYNTBEM-LYHRCORUSA-N 476.599 1.921 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)nc1 1286762523 ICWDPBLCZATRIL-FQEVSTJZSA-N 480.594 1.958 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC1 1286762992 RJTQYFLPYRUAGG-NHCUHLMSSA-N 475.615 1.883 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1286814059 JBERUNKWKQWYKF-HIFRSBDPSA-N 481.541 1.953 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1286820946 WIJBPMZRWUTUCB-DFQSSKMNSA-N 494.639 1.747 30 10 JDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCSC1 1297667719 HSCFFAVSLXVESN-HRAATJIYSA-N 479.628 1.856 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300492048 LHIVOKCRICSGAC-WOJBJXKFSA-N 476.647 1.115 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(N2CCOCC2)n1 1300555057 RPOYRWOLNNYJJB-UHFFFAOYSA-N 470.537 1.668 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOCCCO)CC1 1300700837 XNNUDRAJAIQJSB-HXUWFJFHSA-N 476.622 1.547 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2C)CC1 1300712920 YFHYBQNGDGVGDG-SFHVURJKSA-N 472.615 1.519 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNS(=O)(=O)CC 1300800939 DBMCJTXURKMFQT-JOCHJYFZSA-N 469.571 1.123 30 10 JDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1300863100 ILHHZCZTPPFMEA-MPTYRVRUSA-N 454.369 1.968 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300869374 LRYXPFVNVCDKIZ-HBMCJLEFSA-N 492.621 1.558 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1300989381 ALSMVIRTQQJQLU-PMPSAXMXSA-N 497.540 1.360 30 10 JDEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(N)=O)C1)c1ccccc1 1301164952 YELWUICQMILMRZ-QXAKKESOSA-N 460.604 1.950 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc([C@H](C)O)cc1 1301403534 KXJDRGCYEYQOHX-FXAWDEMLSA-N 461.588 1.891 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1301505839 BJZZVRJUYDGGTB-UHFFFAOYSA-N 466.634 1.561 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1301577992 WKHLBICHASBKAR-YOEHRIQHSA-N 479.990 1.923 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1301588654 IILHQUHNYQDWRQ-DLBZAZTESA-N 496.611 1.057 30 10 JDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1301592591 AHBFDZGQNMJIBW-MRXNPFEDSA-N 457.597 1.861 30 10 JDEE CCc1nnc(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c(C#N)c1CC 1306968744 AYCWSLXGSDCZML-UHFFFAOYSA-N 456.528 1.315 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCCN1CCCC)[C@H]1CCS(=O)(=O)C1 1358960715 KEOWHUPBFOEZGZ-SFTDATJTSA-N 473.647 1.960 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1c(CC)nn(C)c1CC)[C@H]1CCS(=O)(=O)C1 1358964620 CICRFYQGNPTABV-IBGZPJMESA-N 481.626 1.797 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CC(=O)NCC)CC2)nnc1[C@@]1(OCC)CCOC1 1359105232 LTYBAJXZSQYJIE-NHCICSSKSA-N 476.622 1.170 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCN2CC)CC1 1359179324 RNELIESXLSSYIA-WOJBJXKFSA-N 466.652 1.888 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCOCC2)C1 1359203364 NQEUWTBQIOYYPH-SFHVURJKSA-N 469.608 1.353 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1359301226 VDUHPFGRNZVXCU-GOSISDBHSA-N 474.993 1.939 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1359303639 WCXSISZOTNVOOV-PMACEKPBSA-N 452.559 1.622 30 10 JDEE CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2cnccc2C#N)CC1 1463791548 HWULYEQFEYXQDN-UHFFFAOYSA-N 454.961 1.662 30 10 JDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 1464072077 HBVHEPIGKNNFHD-INIZCTEOSA-N 456.524 1.865 30 10 JDEE CS(=O)(=O)c1cccc(C(=O)N2CCN([C@H]3CCN(c4sccc4C#N)C3=O)CC2)c1 1473172042 CCQPYUVBHAPUIK-SFHVURJKSA-N 458.565 1.587 30 10 JDEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CC1 1501769328 BYLVREBRTGCHFX-UHFFFAOYSA-N 476.589 1.374 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCCNS(C)(=O)=O)c1 1507552431 OPHUJGAJYMPJAI-GOSISDBHSA-N 460.560 1.125 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OCCO)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1507630413 YJSHQKJSANKURA-LJQANCHMSA-N 497.577 1.395 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1507632884 QGLKBNOXBRPAJY-PMACEKPBSA-N 460.604 1.784 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1507635296 RLDRERKKEBAQAF-AVRDEDQJSA-N 471.608 1.860 30 10 JDEE C#CCN(c1nnc(CC)n1CC1(CN2CCOCC2)CCCCC1)[C@H]1CCS(=O)(=O)C1 1507635576 XIAZOBNRDDDXPS-FQEVSTJZSA-N 463.648 1.750 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1507637278 AJICLPHYCXYTAK-ZQHDKMAOSA-N 468.576 1.392 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCCn2cnnn2)CC1 1507721793 YMDAMYXFSNKEOD-UHFFFAOYSA-N 462.381 1.601 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(SC)CCOCC2)CC1 1507733856 MVNTXGGRJZJILB-UHFFFAOYSA-N 497.625 1.803 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)C(C)(C)C)CC1 1507739023 KWDWNRZUPYTFLC-QZTJIDSGSA-N 465.620 1.207 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](C)C1 1507794717 AOGRCCUHGDQWRC-ZRNYENFQSA-N 467.636 1.318 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)cc2F)CC1 1507885188 UKRHIZVGWFPWJJ-LJQANCHMSA-N 465.551 1.963 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1507913774 BNCRRQKQFXBCSO-HOTGVXAUSA-N 461.654 1.894 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2cccnn2)CC1 1508073619 LERYICWQDQEDKC-UHFFFAOYSA-N 464.530 1.381 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1508133237 FTEMMHOCEQVVCU-RTBURBONSA-N 463.604 1.994 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(S(N)(=O)=O)cc1 1538966169 VHYCFTHEQAIOFB-OAHLLOKOSA-N 453.528 1.273 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1539124778 HSLJPZHFRDKAQB-WIYYLYMNSA-N 489.598 1.691 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1539125893 PQSDSHNHQQEHQQ-XLIONFOSSA-N 475.571 1.301 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1539201126 WQXLUZHKYWVPEZ-SFHVURJKSA-N 459.547 1.523 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCCNC(=O)c1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1539211730 OFHDJDBZHJREDU-IBGZPJMESA-N 496.593 1.436 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1539231238 PZRHBWNXFSVFJW-PWRODBHTSA-N 499.637 1.971 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC(=O)NCC2CC2)CC1 1539434161 BAUYJMPZAIPZOR-UHFFFAOYSA-N 468.558 1.252 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCNS(=O)(=O)c2ccccc2)CC1 1539444245 LHHDEZVEWHVTKT-UHFFFAOYSA-N 451.556 1.074 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)CCCS(=O)(=O)c2ccc(Br)cc2)CC1 1539702318 AHRBWTRMGNEMRH-UHFFFAOYSA-N 455.374 1.991 30 10 JDEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(N)=O)C1 1540034058 VDMIEROWRKCCOF-KRWDZBQOSA-N 465.558 1.969 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1540862922 LZFWHYLSDHZCPZ-KRWDZBQOSA-N 473.553 1.070 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1540900893 LUKFOWGDBBSECA-MRXNPFEDSA-N 480.591 1.604 30 10 JDEE CC(C)N1CCC(O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1541619096 DDCTVEHAUZCQQW-NQIIRXRSSA-N 464.636 1.546 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(SC)c1 1587638000 AACRMQFKGFRJBL-ZBFHGGJFSA-N 450.590 1.234 30 10 JDEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1588034348 DMZZKBZRBUHOON-NRFANRHFSA-N 469.611 1.901 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1588034359 DTTRGKFVTKSRMI-KSZLIROESA-N 456.634 1.772 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1588059841 WEDZZZOAHNFHKO-HXUWFJFHSA-N 483.569 1.690 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1588070284 XYMKREFRORQGAR-LJQANCHMSA-N 498.565 1.198 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)cc1C 1588387558 VMMKVYOJXLIXDK-HXUWFJFHSA-N 460.604 1.493 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)N(C)c2ccccc2)CC1 1588811159 BKDYTGWVOLBMCI-PMACEKPBSA-N 456.616 1.460 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1595496798 HTMMFAAIUQBJJC-MRXNPFEDSA-N 459.348 1.821 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(C)cc1 1595550868 JATFRMUXHITIIT-WOJBJXKFSA-N 488.614 1.563 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1595772436 AJKFQMUROBNPBQ-MGPUTAFESA-N 467.979 1.979 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1595822058 GFJHTJZXNICCNZ-QGZVFWFLSA-N 479.990 1.922 30 10 JDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1595850737 RKYGKDJCPDOLEF-MRXNPFEDSA-N 478.644 1.782 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCOc1ncccc1F 1611696399 HAYVLUBBFOYJMR-LIRRHRJNSA-N 451.528 1.631 30 10 JDEE C#CCCN(CCOC)C(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 1646484901 HNYVTKJTEKYGEC-UHFFFAOYSA-N 450.451 1.542 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1689984010 JNSTXJGVRXKLLB-QGZVFWFLSA-N 459.963 1.885 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1689985962 GBDCENZTZODDEH-GOSISDBHSA-N 458.588 1.217 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(OCC)c2)CC1 1690124707 RNENFAJCAVLSRJ-IBGZPJMESA-N 473.599 1.391 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1690125003 YKVMWTGMBNRLBD-NRFANRHFSA-N 466.586 1.443 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCOCC2)CC1 1690140095 LOLYNNCBKUPINS-UHFFFAOYSA-N 475.597 1.893 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCOC[C@H]2C)CC1 1690152162 AMTQXWTXYJOGGR-IEBWSBKVSA-N 484.626 1.908 30 10 JDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1690175312 UPMGKNDHVSKFSV-MOPGFXCFSA-N 460.648 1.718 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCS(=O)(=O)C(C)(C)C)CC1 1690411837 VRGGORFQTMIBFW-KRWDZBQOSA-N 489.664 1.227 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1690644569 UCFMRPIPWYRDAS-PXNSSMCTSA-N 451.524 1.034 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1c(F)cccc1F 1690671081 OTEMZOOAWYBPJS-AWEZNQCLSA-N 453.515 1.787 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1690673492 WTIXLFAXDDWPMD-UHFFFAOYSA-N 452.563 1.294 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1690675947 KPSVUBFZXVVZFZ-SFHVURJKSA-N 453.503 1.737 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3nc(C)cs3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690678142 MEDCIHKLILYSGR-VGSWGCGISA-N 476.603 1.964 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690678513 YPBDYJQYAMAUNC-JFIYKMOQSA-N 468.624 1.017 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(c2ccccc2)CC1 1690723466 SLEXGFQULREXFZ-GOSISDBHSA-N 459.572 1.318 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCC(O)CC1 1705494754 FHHAOQCZPNLWSF-GHTZIAJQSA-N 471.627 1.643 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC2(CCOCC2)C1 1705495743 UTCOXIHJZIYFED-FUHWJXTLSA-N 451.593 1.276 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1705507203 UZQKNXPBIUWEDW-RTBURBONSA-N 486.598 1.120 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1705544900 HYGMJXXMZWRJHP-QFIPXVFZSA-N 456.572 1.276 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCCOC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1705563612 AVFBALIIIVQDGK-RTBURBONSA-N 459.572 1.410 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1705566455 NNTFEEBIJUJBGN-RTBURBONSA-N 474.583 1.864 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC(F)F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1705566988 SZIPYUQTACGQSE-ZBFHGGJFSA-N 497.499 1.645 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](SC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705567439 WINRSZAAQSCINB-IXDOHACOSA-N 488.701 1.585 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCN(C(C)=O)C1 1705576606 NDFKMQBJNXMDFD-LJQANCHMSA-N 453.568 1.680 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@]2(O)CCOC2)CC1 1705636775 XLOCYEQJWGJTQC-NRFANRHFSA-N 476.375 1.623 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCS(=O)(=O)CC2CC2)CC1 1705643015 PUBDZSZCJJGCPE-UHFFFAOYSA-N 461.563 1.576 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCc2noc(CC)n2)CC1 1705649820 GATGEKMHUJTWBR-UHFFFAOYSA-N 468.587 1.788 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(NC(C)=O)nc2)CC1 1705650461 RDDHEWNMIFCKND-UHFFFAOYSA-N 472.553 1.631 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)C2CC2)CC1 1705680750 GQQSMUGUNJDLAF-LBPRGKRZSA-N 475.413 1.292 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1705735585 BEYGBOLXXIYPHE-GOSISDBHSA-N 452.515 1.554 30 10 JDEE C=CCN(CC=C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1705869711 BQPZSVSUPGZAFS-OAQYLSRUSA-N 454.593 1.437 30 10 JDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOCC1(C)C)[C@H]1CCS(=O)(=O)C1 1709937916 DKGRFVVDMABWJV-FQEVSTJZSA-N 472.615 1.941 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1710307462 AKFDPACDLRMUQR-UHFFFAOYSA-N 494.644 1.969 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC2(O)CCN(C(C)C)CC2)c1 1722305515 IHKHQNIPMHJPSW-UHFFFAOYSA-N 495.628 1.708 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[S@](=O)C(C)(C)C)c1 1722308497 BJWTVMPQIDKQSA-XHVUARLKSA-N 470.599 1.833 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1722318001 ZHHCQHXQNYCOAG-FQEVSTJZSA-N 456.572 1.923 30 10 JDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1722335456 DKVZSRFMCYMRQU-MRXNPFEDSA-N 463.560 1.449 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1722363964 VZYFWAFCQCMVPN-RTBURBONSA-N 476.624 1.705 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1722372240 SBRJXDZTBMEHAL-KRWDZBQOSA-N 478.644 1.237 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1([S@](C)=O)CCC1 1722376508 QZZOBIMKNYVUGJ-YTTGMZPUSA-N 472.640 1.921 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCC(C)CC1 1722397371 POGKRZBLCVDPDV-RTWAWAEBSA-N 476.647 1.194 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1722433069 KNYMTSGYJOMKQG-QPPBQGQZSA-N 460.623 1.042 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(OC)ccc2OC(F)F)CC1 1722441982 VMUIGDIXCMLBOZ-UHFFFAOYSA-N 474.512 1.814 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722700604 NKWCZFBIMRSUFO-UHFFFAOYSA-N 478.601 1.626 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)(C)C)CC1 1722739267 UHICGBAHGWXBSR-KRWDZBQOSA-N 472.681 1.451 30 10 JDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNS(=O)(=O)c2ccccc2)n1 1724503730 AZODYPOQTXUPTH-KRWDZBQOSA-N 453.528 1.356 30 10 JDEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C[C@H](C)O1 1727832875 BOYQXSRQDKUQCT-WMZOPIPTSA-N 462.576 1.624 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccc(F)cc1 1740549722 GRNPUOVVSFRZFE-ZYSHUDEJSA-N 465.551 1.596 30 10 JDEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1740585565 WCBWTBXWSNAWRN-QGZVFWFLSA-N 496.547 1.437 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1740624364 FWMUFNBXCWMEBZ-NQIIRXRSSA-N 464.975 1.300 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](N1CCOCC1)C(F)(F)F 1740668873 CSFWAVRMNUMJBW-GOSISDBHSA-N 489.502 1.915 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(=O)NCC(F)(F)F)CC1 1740690289 IGTFHXUHEQQOKA-HNNXBMFYSA-N 468.455 1.991 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1740719770 KOQNBVBDLHYLRM-UHFFFAOYSA-N 451.622 1.024 30 10 JDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nn(C)c(=O)cc2C1)c1ccccc1 1740796557 BSPJEEBGXCPCGA-INIZCTEOSA-N 469.571 1.258 30 10 JDEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740867271 CUGHRNDKPBBSGR-SFHVURJKSA-N 451.531 1.260 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1740951649 KFJCNAMUPKZGIC-XMMPIXPASA-N 461.526 1.634 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CC(=O)N(C)C)CC1 1740960342 PRQTWARTAIPZCD-UHFFFAOYSA-N 495.632 1.449 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCc2ccccc2C1 1741131187 DNJAOFVDTQXLAD-RXVVDRJESA-N 487.630 1.265 30 10 JDEE Cc1cc([C@](C)(O)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)c(C)o1 1742093208 DXEKZCHXONCAGR-BEVDRBHNSA-N 451.524 1.740 30 10 JDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C[C@@H](C(F)(F)F)O1 1743253746 CQTNGBYOOFVMCP-DOMZBBRYSA-N 458.466 1.522 30 10 JDEE CCN1CCN([C@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1746433785 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1764728876 AHWGKZLJXUGYOM-WIYYLYMNSA-N 489.646 1.849 30 10 JDEE CN(C)C(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1768446553 BVMWXHZSQQFQAJ-SFHVURJKSA-N 456.572 1.699 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc1C 1858630752 AXWHSNLDPXONBJ-UHFFFAOYSA-N 482.559 1.878 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(=O)n(Cc4ccccc4)n3)CC2)CC1 1890481083 WJJSLAHYPYWHQC-UHFFFAOYSA-N 477.609 1.554 30 10 JDEE N#Cc1nccnc1OCC1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)CC1 1891435934 UNANEETZUAXBCN-HNNXBMFYSA-N 452.540 1.748 30 10 JDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C1 1891985672 RAFLAPGDIVQAPR-XLIONFOSSA-N 455.540 1.961 30 10 JDEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H](O)C1(C)C 2193529709 ZRPCCIGOXOKVAO-PEBXRYMYSA-N 462.356 1.769 30 10 JDEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)[C@@H]2[C@H](O)[C@H](O)CCN2C(=O)OC(C)(C)C)CC1 2201823254 NAZFSUBKZTXWIQ-FGTMMUONSA-N 466.384 1.898 30 10 JDEE CO[C@@H]1C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)N(C(=O)OC(C)(C)C)C1 2256611860 ASDBKBKPNJPYPY-NEPJUHHUSA-N 454.358 1.222 30 10 JDEE Cn1nc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1B1OC(C)(C)C(C)(C)O1 2267131682 FRAFXPUXIRCMHF-AWEZNQCLSA-N 450.345 1.085 30 10 JDEE COCC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN(C(=O)OC(C)(C)C)C1 2267141677 LWNMMVCQBPJCOF-UHFFFAOYSA-N 450.345 1.322 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F 2267203832 VYHOGBSQHORJRY-LBPRGKRZSA-N 456.295 1.879 30 10 JDEE C[C@@H](C[S@@](C)(=O)=NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2267266562 QDMUQDMMGADXEW-PYFHWHSVSA-N 471.389 1.266 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCC(C)(C)NC(=O)OC(C)(C)C 2267368684 MOWPOQPSDQNIEG-UHFFFAOYSA-N 472.417 1.691 30 10 JDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267372119 JSIYHHSPNYSWLH-UONOGXRCSA-N 488.437 1.960 30 10 JDEE Cn1ncc(C(=O)N[C@H]2CSCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 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Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCCC[C@H]1CNC(=O)OC(C)(C)C 2282350149 JKYRFMPHTOJATA-HNNXBMFYSA-N 484.428 1.787 30 10 JDEE CN([C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282353346 GQUUZYVTBJOKFQ-PIIMJCKOSA-N 479.408 1.867 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)n1 2282504816 VCLUKYRHHXZLHE-HOCLYGCPSA-N 484.428 1.691 30 10 JDEE CO[C@H]1C[C@H](CNC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2282576880 XGVFMRDJEUHVOE-CABCVRRESA-N 464.372 1.474 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)C[C@H]2[C@H]1CO 2282609306 GNQJNJLHCWCFIB-SQWLQELKSA-N 479.408 1.742 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H]1CO 2282629656 YQUSXMMWBUHFID-ZBFHGGJFSA-N 462.356 1.124 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282836543 LMEFMFSPKGFPIW-ROUUACIJSA-N 482.408 1.697 30 10 JDEE Cc1nc(S(=O)(=O)N2CC[C@@](C)(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282884697 RKGMKVHGSCJOQI-OAQYLSRUSA-N 484.428 1.706 30 10 JDEE C[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2283933459 OYRRUCRKXAGIAH-RHSMWYFYSA-N 461.368 1.932 30 10 JDEE COc1ccc(C=CC(=O)[C@@H]2C[C@@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)cc1OC 2328071874 DHKZUUMLSDQNHF-PXNSSMCTSA-N 477.517 1.819 30 10 JDEE C[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)[C@H](C)[C@@H]1NC(=O)C(F)(F)F 2362337904 OKUPIZBVHJFSLH-JHJVBQTASA-N 458.290 1.637 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Oc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N 2364690111 BOLZSUZVDYGDPY-FUHWJXTLSA-N 478.376 1.927 30 10 JDEE Nn1c(N/N=C/c2cc([N+](=O)[O-])ccc2O)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 20527403 JPGXQBBXLJTGNU-ZVBGSRNCSA-N 486.470 1.554 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](CS(=O)(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 208056505 WLTCJVIFTXFVNH-CQSZACIVSA-N 453.370 1.807 30 10 JDEE C=C(C)COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)ccc1OC 489101468 HHTLHJVOKQRCHW-IBGZPJMESA-N 495.601 1.834 30 10 JDEE CON[N+](=O)CC(=O)N1CCCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(N(C)C)cc1 585088837 ANSUWLUKDANFRG-JOCHJYFZSA-N 476.579 1.828 30 10 JDEE CN1NOC(=O)/C1=C\C(=NC(=O)c1ccccc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 585673566 IDLVNUAIFBOPJA-HEIQITEFSA-N 451.458 1.548 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccc(F)cc3)c2)c(=O)n1-c1ccccc1C#N 728557335 JPZZPIRQLLKUSZ-UHFFFAOYSA-N 496.527 1.901 30 10 JDEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C(=O)NC[C@@H]1C(=O)O 757548565 WPWZUAAFNPUCKW-SESVDKBCSA-N 461.474 1.232 30 10 JDEE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(C#N)cc1OC 1210360996 HDKAPPWEQAIOLG-HNNXBMFYSA-N 453.517 1.740 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1286380812 DNGYPVZJEWVKPJ-SFHVURJKSA-N 455.500 1.262 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CC1CCS(=O)(=O)CC1)[C@@H]1CCS(=O)(=O)C1 1286388229 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C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(C(=O)N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1300496951 WSVHLYOPOZVKTK-MSOLQXFVSA-N 463.604 1.057 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300504548 OLIHBXOCUGENSA-HXUWFJFHSA-N 457.600 1.888 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(C)cc2C)CC1 1300699541 FCQZHTVSPNQFSY-QFIPXVFZSA-N 486.642 1.226 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(C)CN(C)C2=O)CC1 1300700049 KZLHLFRWFKUUFN-KBMIEXCESA-N 485.633 1.626 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ncn(C)n2)CC1 1300715773 CUFRUZMTXIQJKW-UHFFFAOYSA-N 464.530 1.105 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@]2(O)CCN(C)C2)CC1 1300731464 FYTWILYSNGTUEV-RUZDIDTESA-N 498.653 1.611 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300895758 VGCQUPKRUGKCAX-MHTWAQMVSA-N 497.662 1.749 30 10 JDEE CS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCCN(c2ccccc2C#N)CC1 1302464693 BYDUADQJNGEKOR-UHFFFAOYSA-N 465.583 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463.991 1.627 30 10 JDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1358969983 BQRVUSNMBPZPSD-HSZRJFAPSA-N 456.568 1.596 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1358992225 FIVLGLNLEWTORL-IAGOWNOFSA-N 452.481 1.345 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCn2ccnc2C)CC1 1359039957 CBXYZNBUAXUZHB-UHFFFAOYSA-N 461.530 1.096 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H]2CCOC2)CC1 1359040438 UZKDUWWDUVSPDZ-QGZVFWFLSA-N 451.531 1.318 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCSC1 1359277494 NOOXCNPZSOJUTO-NQIIRXRSSA-N 497.643 1.307 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1359287442 DEVNHKUYUVYRTG-RBUKOAKNSA-N 469.608 1.352 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1359330181 JUOXSFSZALTQAU-UHFFFAOYSA-N 472.596 1.965 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359333431 XNJNOFBONRGJDP-HNNXBMFYSA-N 488.582 1.761 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2[C@H](C)SC[C@@H]2C(=O)NCCC(=O)OC)c1 1468776122 NCFUGTXLEQRWOU-WMLDXEAASA-N 452.554 1.067 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)n1 1476235260 JTHLOGGCFGAARG-QZTJIDSGSA-N 457.535 1.029 30 10 JDEE CCCn1nc(-c2nnc(N3CCC(C#N)CC3)n2CCNS(C)(=O)=O)c2ccccc2c1=O 1501073083 HVAPHIWXEJAGNV-UHFFFAOYSA-N 484.586 1.354 30 10 JDEE COCCN1C[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](c3cccc(C#N)c3)C2)CC1=O 1504897769 HKBLBASPVWREOY-TZIWHRDSSA-N 495.584 1.361 30 10 JDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507569202 DAXLUUOKSNXIOE-UHFFFAOYSA-N 454.579 1.517 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Oc2ccccn2)C1 1507588353 KMWMPRYWIVPKSC-ROUUACIJSA-N 460.560 1.077 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1507590638 FPHDGQOPZPJWEJ-HNNXBMFYSA-N 461.510 1.489 30 10 JDEE C#CCCCn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1507599010 JVYLQQIFFWKKHF-XMMPIXPASA-N 452.559 1.769 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1507630562 CFQYEOXFZCMFMK-HNNXBMFYSA-N 472.596 1.974 30 10 JDEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1507632948 QWJBBWGGPKLAJM-SFHVURJKSA-N 476.006 1.831 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1507638054 CYKMSQXBPMOUBL-FGZHOGPDSA-N 472.611 1.886 30 10 JDEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(F)(F)F)CC1 1507727919 OENHQPLOEYFRJE-UHFFFAOYSA-N 461.536 1.960 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1507745416 CAWCBSCPRQFPKD-CVEARBPZSA-N 486.664 1.606 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1507778609 FQIUKWFEHDUKGH-BFHYXJOUSA-N 464.386 1.181 30 10 JDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1507792005 VDAVGOYYAIKVFN-ZNMIVQPWSA-N 478.413 1.429 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1508135683 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30 10 JDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1CCS(=O)(=O)CC1 1588432949 KUIYHJIVSJCQDM-UHFFFAOYSA-N 484.670 1.927 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1588752392 RLJJTAVXYCNBGC-RCZVLFRGSA-N 474.650 1.431 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1588884478 BMZUUNZYSACXHH-QGZVFWFLSA-N 472.615 1.714 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)[C@H](C)CC 1589216719 VYQSXYNOAWPRLP-DBXWQHBBSA-N 452.625 1.333 30 10 JDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1593691166 SRVAVVZJRFZIAF-PMACEKPBSA-N 474.606 1.519 30 10 JDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1594448950 QTTHHDALUSSLQY-UHFFFAOYSA-N 452.625 1.882 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1594813080 NYFNFIWZPBBMTD-FUHWJXTLSA-N 450.565 1.084 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NC1CCCCC1 1594962762 NGENFIJEMJBRDR-KRWDZBQOSA-N 454.597 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JDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCN1CCOCC1 1286830767 QVZADURBVSUTOW-UHFFFAOYSA-N 469.615 1.880 30 10 JDEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1286869754 YXJHAVUQJGAHLF-HXUWFJFHSA-N 465.558 1.702 30 10 JDEE CN(C)[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CCSC1 1298049367 AULZJKYFWUCQQJ-MBSDFSHPSA-N 469.615 1.868 30 10 JDEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300483598 MATQEEDGCLEKOO-LJQANCHMSA-N 457.600 1.958 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1300501352 KCGPXWCZMQUUJL-FPGHNAPASA-N 484.626 1.940 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1300503048 ZSYRSPMNRTTZBH-NHCICSSKSA-N 472.611 1.620 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1300505529 CJXUXZYMYOYKDW-KEXUJGGDSA-N 480.631 1.570 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1300529926 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C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 1359035662 AOTUQCKKDPMDAM-DHIUTWEWSA-N 484.670 1.801 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC(=O)Nc2ccc(F)cc2)CC1 1359047486 IDKARMXBMNALIG-LJQANCHMSA-N 454.506 1.873 30 10 JDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOCC1CC1 1359084333 DQXUDLPMTGXRQK-OAHLLOKOSA-N 478.413 1.382 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)CC 1359256548 JMPFZOBOQPEBTJ-IBGZPJMESA-N 456.572 1.723 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1359277185 DWPOAHNHGUGZAT-ROUUACIJSA-N 482.628 1.833 30 10 JDEE CC(C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1359603685 ANLFTDIYNCOLJB-IBGZPJMESA-N 474.587 1.423 30 10 JDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359638681 FSPMSMHIGGPQRD-UHFFFAOYSA-N 459.576 1.107 30 10 JDEE CC(C)c1nnc([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)N(C)C)CCO2)o1 1359675068 DIHDJWTZMSTWCN-KRWDZBQOSA-N 450.503 1.989 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30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1507667793 RKZFXWYEXZOUQS-GOSISDBHSA-N 457.538 1.977 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC(=O)NCC(F)(F)F 1507703796 ZGXRIGFNZTWKRF-UHFFFAOYSA-N 466.439 1.858 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1507719874 QOENVUJTSCEBKV-OAQYLSRUSA-N 483.560 1.516 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(NC(=O)CC(C)C)c2)CC1 1507731645 NXJLIXGIJZSJIZ-NRFANRHFSA-N 498.653 1.968 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccccc2OC(F)F)CC1 1507732344 URKKUKHCHMDWIC-GOSISDBHSA-N 479.553 1.780 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1508078867 KZQKAKIYOAFRIA-UHFFFAOYSA-N 483.573 1.649 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1508091627 MWOCGASBZUQMSX-HXUWFJFHSA-N 487.568 1.926 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2Cl)CC1 1508093268 BPDGPBNGIANNRK-UHFFFAOYSA-N 457.966 1.683 30 10 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459.572 1.697 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCN(C(C)=O)CC1 1539301618 SRDREMPAKKPZER-UHFFFAOYSA-N 494.596 1.598 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1539368744 BLEAKJLEPVYNPO-CVEARBPZSA-N 463.526 1.293 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2C[C@@]2(O)CCO[C@@H]2C)n1 1539424540 SIKGPZUSQQZXHQ-DVECYGJZSA-N 450.543 1.968 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1539484654 XVAWWMQBGPBULT-GOSISDBHSA-N 490.655 1.178 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1539499051 CCWLZWZHIFMBJO-HKUYNNGSSA-N 493.655 1.802 30 10 JDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1539722106 KQYJTFNYLOMRHE-UHFFFAOYSA-N 495.628 1.720 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)SC)C1 1540892970 UVUGIOUGXDGGKR-CVEARBPZSA-N 459.638 1.534 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1540902295 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JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1689984847 WWXCGZZEIODNNP-QGZVFWFLSA-N 455.544 1.250 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](N1CCOCC1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689985844 COJPFTHZMARFOB-SJLPKXTDSA-N 498.531 1.230 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1689988080 IRIONDDLESRHDF-QVKFZJNVSA-N 463.560 1.184 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(OC)c(OC)c2)CC1 1690109293 MVCZRIAGSPQHAN-UHFFFAOYSA-N 452.559 1.529 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(OCCCOC)c2)CC1 1690122153 IBHDERVDNZMUIH-OAQYLSRUSA-N 452.559 1.448 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 1690131433 ZPVINUQHRFYATO-FQEVSTJZSA-N 477.613 1.732 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1690146181 HNVZQNKSLWAVJD-GSTQUKTASA-N 469.611 1.675 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)CC1 1690174389 CBQQIAVMTWMGDQ-LJQANCHMSA-N 494.662 1.721 30 10 JDEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)NC[C@H]2C1 1690499810 AYRJWMDZNLSRJY-HNNXBMFYSA-N 464.368 1.853 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN2CCOC[C@@H]2C1 1690660722 NPVWFNNVCXFOPQ-UXHICEINSA-N 454.575 1.858 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1690661168 WGCLGYSOCPXQSV-CRAIPNDOSA-N 462.576 1.541 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(F)(F)F)CC1 1690672046 GITBKQASAUTTRB-KRWDZBQOSA-N 466.464 1.777 30 10 JDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)OC 1697754904 CMZRAOHPHNYAQU-LJQANCHMSA-N 450.503 1.065 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1705650501 RZZXNHVWZDTPRT-JOCHJYFZSA-N 498.653 1.453 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC[C@H]1C 1705674307 FLDQFGLRTOYOHG-DCXXXQMHSA-N 451.593 1.276 30 10 JDEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1705684867 FUVITQSJNNPFBN-CYBMUJFWSA-N 456.304 1.829 30 10 JDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)COC)CC1 1705725710 NZGGBUDWDGRSFA-QGZVFWFLSA-N 464.567 1.458 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1705725735 OQILBJLIDGPEPA-RCCFBDPRSA-N 453.609 1.971 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1705899191 KRLRDIASENVDPX-KRWDZBQOSA-N 483.573 1.013 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2nccs2)CC1 1705907699 UKMCWZHAYKHANV-MRXNPFEDSA-N 458.592 1.042 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCc2ccco2)C1 1705914076 GBKZATQWQDBYGT-QGZVFWFLSA-N 451.487 1.616 30 10 JDEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1709971092 ASYITNMGNGXJIR-SFHVURJKSA-N 488.614 1.904 30 10 JDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1712478684 FFMOBCIZGHAHID-FQEVSTJZSA-N 458.588 1.552 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCC[C@H]2C)c1 1722310468 WMKSPBXVEKRDJN-ROMRWMGNSA-N 485.610 1.788 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1722358889 GPNBRSRHROQHGH-MSOLQXFVSA-N 461.494 1.868 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722365627 DUZORIRNNMHBPI-SLFFLAALSA-N 470.599 1.159 30 10 JDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N1CCc2ccccc2C1 1722426409 BMMUDDFFRXFKEL-HXUWFJFHSA-N 450.587 1.933 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1722431843 OVPJNVKIMPRBKL-FQEVSTJZSA-N 466.590 1.037 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1722438492 TYFQZKLZJZBIKV-FQEVSTJZSA-N 459.545 1.760 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2c(CC)nn(C)c2OC)CC1 1722442623 WSHJPWKIMUDZEQ-UHFFFAOYSA-N 474.569 1.837 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1722588093 JXRBFYYHNFEMFF-RBUKOAKNSA-N 496.678 1.906 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2ccnn2C)C1 1722629738 NTFCDOGQBCDWCQ-AZUAARDMSA-N 493.634 1.321 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1722711195 AZQXDAJPTYZDST-MSOLQXFVSA-N 451.522 1.816 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722725650 QIOQEVKZZKKPHY-UHFFFAOYSA-N 485.570 1.141 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1722730676 ZLVAJHMFDMWQPF-RBUKOAKNSA-N 476.555 1.787 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1722732396 XYLLPOUJNWJJDE-SFTDATJTSA-N 487.582 1.714 30 10 JDEE COc1cccc(C(=O)NCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)c1 1730209954 FRDISWHBYZSZNF-RDJZCZTQSA-N 460.560 1.357 30 10 JDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1740583240 NDHVSMXYUNUGCE-OAHLLOKOSA-N 466.633 1.829 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740627163 YUDGZYFWCJXROF-VPTFNQTCSA-N 463.629 1.438 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2([S@](C)=O)CC2)CC1 1740703433 SFRBFLNWYYNBJQ-XIFFEERXSA-N 470.555 1.730 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2c(CC)nn(C)c2OC)CC1 1740707149 QQXRLKIJTCSBDL-UHFFFAOYSA-N 496.641 1.952 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(=O)N(C)CC)CC1 1740708492 REDBPBQHFCVLHW-UHFFFAOYSA-N 466.586 1.918 30 10 JDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740739708 YNMIIZYCLRIAMW-HIFRSBDPSA-N 485.383 1.677 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1740759891 FOMWKPXCDPOOAV-AABGKKOBSA-N 473.599 1.897 30 10 JDEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)COC)CC1)c1ccccc1 1740802117 HLKCSBRDPLIFHM-IBGZPJMESA-N 459.572 1.189 30 10 JDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1740890282 WWWZYICUWBFBHH-RBUKOAKNSA-N 469.608 1.353 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1740956334 OZZJYIMDOCSXPG-UHFFFAOYSA-N 477.569 1.982 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1740963217 DFSFIYVAUFNDLB-SFHVURJKSA-N 458.950 1.934 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](C(=O)OC)C1 1740992281 DGDPWEJRQHICIF-INIZCTEOSA-N 458.544 1.117 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNS(=O)(=O)CC 1748638779 WEXSVWQLYFLXAX-CQSZACIVSA-N 452.968 1.259 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1748735633 SIQUCMLQNTTYBR-UHFFFAOYSA-N 499.641 1.993 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccc(OC)cc1 1748791201 QEEPXTNPARBHQV-LPHOPBHVSA-N 463.560 1.157 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1748819001 IIHNEIIYYBLXMX-UWJYYQICSA-N 464.588 1.503 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCc2cccc(C(=O)NC)c2)CC1 1749016699 LCRCAXMCHBUARJ-UHFFFAOYSA-N 485.592 1.832 30 10 JDEE C=C(C)COCCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1749240989 BFNXMSCOHWGAHL-QFIPXVFZSA-N 459.551 1.110 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN2c2cc(NC)ncn2)CC1 1749286340 IJKOCFVRJGXMLX-SJORKVTESA-N 475.623 1.545 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1749658990 QPYITSBRJJUYPK-HNNXBMFYSA-N 461.320 1.651 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCOC2(CCCCC2)C1 1749721174 BUHYZOQHLPABLP-UHFFFAOYSA-N 451.593 1.654 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1749731363 CDFCSYUAYWSTCS-LAUBAEHRSA-N 454.593 1.547 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H](c1cccs1)N1CCOCC1 1751195715 FBNIDZKWQBJHJX-YESZJQIVSA-N 481.648 1.762 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCNS(=O)(=O)Cc2ccon2)c1 1760126880 LQNOFNRKMURLJE-UHFFFAOYSA-N 499.597 1.739 30 10 JDEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1760180792 LECHABGKBGBTSJ-IAGOWNOFSA-N 492.399 1.613 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCCn2cc(C)nc21)[C@H]1CCS(=O)(=O)C1 1760181315 SFGULYBBNONXBA-UFYCRDLUSA-N 490.630 1.711 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1760181794 BQLQHTDHCFKODD-DFQSSKMNSA-N 479.647 1.884 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1760191943 CBFFGDIPLYUNNV-ZCNNSNEGSA-N 480.631 1.978 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1760217590 HNGAAAOYXVGRHU-QHCPKHFHSA-N 460.582 1.949 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(CCC)CC1 1760219689 KYEOERSMQXETPA-NRFANRHFSA-N 476.647 1.196 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)NCC=C)CC1 1760267372 ZVFCQDSUWRKCTR-UHFFFAOYSA-N 474.363 1.304 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)N(C)C)CC1 1760271155 NVAIAFIHMRGEHV-INIZCTEOSA-N 457.604 1.186 30 10 JDEE C#CCSCCn1c(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)nnc1C(C)(C)C 1760286691 RTGOHFICUQLGKK-KRWDZBQOSA-N 455.650 1.573 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCCCO1 1760295022 LQILYPGMPREJFI-BBTUJRGHSA-N 451.593 1.562 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760314049 SWUMJNQRAJYZBQ-FIKGOQFSSA-N 451.593 1.413 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760322893 YWIUZQOYEICUKH-QRVBRYPASA-N 494.662 1.792 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1760348871 PERFRLBKXACXKK-HXUWFJFHSA-N 473.622 1.240 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N(C)C)CC1 1760358089 RDRSXHCEJXBGHS-GOSISDBHSA-N 453.609 1.468 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](c2noc(C)n2)C1 1760515065 KFECSFMUIFPZRB-HNNXBMFYSA-N 491.350 1.618 30 10 JDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)COC)CC1 1760534421 YAXKSLIDWMXILE-UHFFFAOYSA-N 468.558 1.309 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)N(C)C2CCCCC2)C1 1760534889 IJAOXDFYZDFPOA-SJLPKXTDSA-N 468.624 1.461 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1 1760555339 CTHWVFBXFCMCOH-KRWDZBQOSA-N 452.625 1.388 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H](C)N(C)C)C[C@H]2C)CC1 1760623883 WRTMMFIKQOCTBU-DNVFCKCGSA-N 464.618 1.756 30 10 JDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N2CCSCC2)CCO1 1763081341 FNVBPJSHIXXPQA-INIZCTEOSA-N 462.601 1.420 30 10 JDEE N#Cc1cccc(NC(=O)[C@@H]2CCN(S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)C2)c1 1858412608 JITXMFXVRCVOQF-MRXNPFEDSA-N 452.492 1.861 30 10 JDEE CC(C)(NC(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1)C(=O)Nc1ccc(C#N)cc1 1866645315 WFGOKKPLSDZKLN-IBGZPJMESA-N 489.575 1.666 30 10 JDEE C=CCN=c1nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]c(N2CCN(Cc3ccccc3)CC2)n1 1871507794 YGJGMOGZOYZZMB-UHFFFAOYSA-N 480.598 1.605 30 10 JDEE Cc1ccc(Cn2nc(C(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)ccc2=O)cc1 1889619376 MTEPTPMIJCDKRF-UHFFFAOYSA-N 477.609 1.472 30 10 JDEE CCCn1c(C(=O)N2CCC(N(C)c3cc(C#N)ccn3)CC2)cc2c(=O)n(C)c(=O)n(C)c21 1891126685 BGBJGTYGDQUWPI-UHFFFAOYSA-N 463.542 1.456 30 10 JDEE Cc1nc(I)c(I)n1-c1ccnc(C(N)=NO)c1 2028591382 SJOUUSDJCCHHAN-UHFFFAOYSA-N 469.024 1.879 30 10 JDEE C=C(Br)CS(=O)(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 2118135752 LMSSFOSATFLCNP-ZDUSSCGKSA-N 454.387 1.578 30 10 JDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255649972 AIZQEIOBURFTSX-STQMWFEESA-N 453.370 1.806 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](F)C[C@@H]2CNC(=O)OC(C)(C)C)n1 2267491350 BUQAZTGKWQLGRB-ZIAGYGMSSA-N 452.336 1.797 30 10 JDEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267708111 DYDLMUKTGMWWHG-APWZRJJASA-N 460.409 1.518 30 10 JDEE C[C@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)CN(C)C(=O)OC(C)(C)C 2267713976 GTKGPDSEGSXTKP-CQSZACIVSA-N 472.417 1.501 30 10 JDEE CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282042848 JUAWJKQBHILXDO-HUUCEWRRSA-N 464.372 1.474 30 10 JDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)n1 2282050250 LEFWNDLXUJLMSI-DLBZAZTESA-N 461.368 1.789 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C 2282172857 BOSWCXSZZUVVIB-CYBMUJFWSA-N 465.360 1.216 30 10 JDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282611644 NWZMDHBOVLTSRS-HUUCEWRRSA-N 463.388 1.832 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)[C@H](C(F)F)C2)n1 2282615047 MLZNEPCSKPQZNB-NEPJUHHUSA-N 471.314 1.345 30 10 JDEE CN1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@@H](CNC(=O)C(F)(F)F)C1 2282674556 MAZFMSJIKIGJME-INIZCTEOSA-N 455.286 1.421 30 10 JDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NC[C@H]3CCS(=O)(=O)C3)C(=O)[C@@]12C 2297591348 YFHOVBQFVZDGRN-ZLOXQWCVSA-N 475.519 1.593 30 10 JDEE Cc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@]23C(=O)N(C)c2ccccc23)o1 2297744172 ZOCYQXKFKRRVGY-XMMPIXPASA-N 451.479 1.473 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2cnc3c(cnn3Cc3ccc(OC)cc3OC)c2)CC1 29093584 ZPCIUHFHYYDQBS-UHFFFAOYSA-N 478.553 1.557 30 10 JDEE Cc1ccc(S(=O)(=O)O[C@@H]2[C@H]3CO[C@H](O3)[C@H](OS(=O)(=O)c3ccc(C)cc3)[C@@H]2O)cc1 72399371 NJSSICCENMLTKO-LASHMREHSA-N 470.521 1.267 30 10 JDEE in-vitro CCOC(=O)/C=c1/s/c(=C/c2ccc(C#N)cc2)c(=O)n1Cc1cc([N+](=O)[O-])cc2c1OCOC2 105764147 PROWDBHAJNJBLK-OEPUKHIVSA-N 493.497 1.777 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1C[C@@H]1CCCO1 603797068 ACAMINUFEGACNT-INIZCTEOSA-N 463.481 1.913 30 10 JDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1=O 726591265 AEBICTMFMJFDNZ-KRWDZBQOSA-N 468.489 1.570 30 10 JDEE COc1cccc(C(C)=NNc2nc(SCC(=O)N3CCN(CC(=O)NC(C)C)CC3)n[nH]2)c1 1084425071 SFQBSTHFTBRDAZ-UHFFFAOYSA-N 488.618 1.410 30 10 JDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CS[C@H](Cc4ccccc4F)C(=O)N3)CC2)c1C#N 1138262263 AEMURURRXCSAQN-RBUKOAKNSA-N 456.547 1.231 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3Cc4cc(Br)cnc4NC3=O)cc2C1=O 1180087184 CWFCRJHOEAPUMY-HNNXBMFYSA-N 455.268 1.919 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H](C)N2CCN(CC)CC2)c1 1286310138 BRBKNDDYXBDLJU-IRLDBZIGSA-N 479.629 1.864 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)C2CC2)c1 1286311637 OYSLCJAHYBRMFQ-HXOBKFHXSA-N 471.583 1.397 30 10 JDEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1286382511 JJIIBIOLYCFBRH-QZTJIDSGSA-N 458.540 1.979 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1286382620 JQUPTSAVUJCAJS-SFHVURJKSA-N 469.527 1.570 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1286383850 ONMJRLFNSVKPDX-PKOBYXMFSA-N 492.623 1.402 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286385630 XZWBRBSYDXHELV-UGKGYDQZSA-N 466.604 1.374 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1286387607 GVQIEVSYOCIKGD-KSFYIVLOSA-N 462.572 1.750 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286387630 HDKUCDDFYDJMJB-INIZCTEOSA-N 495.964 1.223 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1286398326 XCNHOWYEFBHRDV-FQEVSTJZSA-N 498.609 1.832 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1286481725 XBZCPQZYLCWOAJ-NRFANRHFSA-N 457.600 1.868 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCCN(c2ncccc2F)CC1 1286823449 NNRZTUMBCSXUQT-UHFFFAOYSA-N 491.593 1.252 30 10 JDEE CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1286925159 BYNUZIISDBHOCC-HXUWFJFHSA-N 465.558 1.607 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccccc1CN1CCCC1=O 1288771413 BXSHAENYQWAPAX-IRXDYDNUSA-N 473.603 1.797 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC2(O)CCN(C(C)C)CC2)c1 1300332413 FEBNFRWQUVVKSS-UHFFFAOYSA-N 490.612 1.970 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCCN1CCCC)[C@@H]1CCS(=O)(=O)C1 1300479238 KANWVTRVKHOJIN-WOJBJXKFSA-N 478.663 1.698 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1300506416 SGADWJNNJWMMLX-BURNTYAHSA-N 479.647 1.503 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2(C(N)=O)CCOCC2)CC1 1300681919 CPXSOUGWOCTRMW-NRFANRHFSA-N 450.587 1.857 30 10 JDEE C#CCSCCn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300776897 OGUKHLDMKIJZPI-XMMPIXPASA-N 491.658 1.760 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1300848211 BSNHODDDEQESRB-LSDHHAIUSA-N 460.398 1.393 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1301458329 RLTMEWDAPFWRCI-IBGZPJMESA-N 475.550 1.134 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](Cn3cc(C)cn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301520642 KOHGSZZEEOBREX-AUSIDOKSSA-N 473.578 1.031 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1301568509 TZVKTWSODBXNNH-KRWDZBQOSA-N 496.634 1.466 30 10 JDEE C#CCC[C@@H](O)CNC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1312638363 WRJPYAUNENJBGQ-HZPDHXFCSA-N 458.378 1.676 30 10 JDEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCN(C(C)=O)CC2)CC1 1315002631 DVBCDOIEVCNHKD-UHFFFAOYSA-N 479.585 1.950 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(NC(C)=O)nc1 1358941734 WCYGDMPMRQOPGM-UHFFFAOYSA-N 467.555 1.667 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358957203 RBOZIHJHHJPRER-MZKRTTBSSA-N 479.647 1.289 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358960163 YNTMDWDXSHDIQM-MRXNPFEDSA-N 477.974 1.084 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1358965448 VKMCUKCTRJDGJS-KRWDZBQOSA-N 463.629 1.719 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1COCCO1 1359015597 YSPLTVBCGNWUJN-CRAIPNDOSA-N 451.524 1.083 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccc(C)cc2)CC1 1359045739 RLJFMBQCCKVYTJ-HXUWFJFHSA-N 485.610 1.533 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1359047297 ZXFDYDJJZYSBLJ-UHFFFAOYSA-N 478.553 1.236 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCNS(=O)(=O)c1ccc(C)s1 1359069126 CBRDKFWSEGQQDR-MGPUTAFESA-N 462.601 1.570 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1359305940 QZYJHQITIWIGCT-UUOWRZLLSA-N 492.621 1.974 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCO[C@@H](C)C2)cc1 1359308356 MGWTWOBHJQNKIK-GHTZIAJQSA-N 491.614 1.839 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)OC(C)(C)C1 1359331063 MIRVUFBOMUVAIZ-AWEZNQCLSA-N 451.549 1.610 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1359333200 QMTJSXJUZBNEHC-ZDUSSCGKSA-N 460.482 1.618 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cccc(CN2CCOCC2)c1 1360670995 ARRPLWZYFYRHNF-GOSISDBHSA-N 487.630 1.509 30 10 JDEE C#CC[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OC 1468875896 RQAAVYJIQYUQEA-ROUUACIJSA-N 450.557 1.198 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CN(CC(C)C)CCO2)c1 1507551016 UDRFAUZOKHZBAF-FGZHOGPDSA-N 493.612 1.642 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 1507555713 AXYJCBGQYZVNNO-KRWDZBQOSA-N 451.597 1.030 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](COC)C1 1507564105 MWPXHIWGUZDUQT-OALUTQOASA-N 453.609 1.667 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1c[nH]c2ccc(F)cc12)[C@@H]1CCS(=O)(=O)C1 1507623436 SBGHMFLSBRAFNV-GOSISDBHSA-N 486.573 1.906 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1507632577 NPSPEXBYBPEXQO-YADHBBJMSA-N 499.637 1.743 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1507640384 RFNHWEZZQPBKDS-CVDCTZTESA-N 474.583 1.332 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1507640836 WRANLHMIFLJJRS-WIYYLYMNSA-N 472.567 1.838 30 10 JDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1507641631 IHCPCEXEIYAHSN-MHZLTWQESA-N 491.640 1.977 30 10 JDEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507714435 OAKHQRRGAKNYMX-QFIPXVFZSA-N 462.572 1.110 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCSCCCO)CC1 1507717910 IYYYHWULWDIVPF-UHFFFAOYSA-N 467.437 1.917 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1507738764 XTYPKLDDYNSVLF-YADARESESA-N 484.988 1.756 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1507753041 HXIYFZOOOPACDW-IBGZPJMESA-N 487.699 1.852 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1507810261 LDMWBWLTXHVDQI-LQBOVUBWSA-N 483.635 1.429 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCOCC1 1507821062 SUJGQGTWRRUXLN-SFHVURJKSA-N 470.640 1.124 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1507952694 ANAFWVVSKRBFFP-UXHICEINSA-N 482.651 1.126 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)cc1 1508100850 PNJCFQMWTPNJCP-ZWKOTPCHSA-N 480.612 1.417 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1508135215 LDKZFWKHDLXQJR-INIZCTEOSA-N 484.600 1.186 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1508137598 OEUZQGIHMOGFHA-IBGZPJMESA-N 473.603 1.523 30 10 JDEE CC(=O)N1CCN(CCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1508273938 DETNFFLUTZSPAU-UHFFFAOYSA-N 464.574 1.186 30 10 JDEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)N(C)C)cc1 1516306030 CXNUHTBMTIUKAL-LPHOPBHVSA-N 478.575 1.437 30 10 JDEE C=CCN1CC[C@@H](N(C)C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)C1=O 1524314678 SAXXKSAVPSLZQD-CQSZACIVSA-N 451.453 1.605 30 10 JDEE C#CC[C@@]1(C(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)CCCN1C(=O)OC(C)(C)C 1527622168 QNYDZJFRSDWENK-NRFANRHFSA-N 451.545 1.624 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC[C@H]2COCCO2)c1 1539038496 PXLYOXHZANILSN-FQEVSTJZSA-N 489.536 1.787 30 10 JDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539132340 IVDCIPVIEHEFOA-ICSRJNTNSA-N 483.642 1.672 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1539204643 AWUXOCZTHNUHAG-MOPGFXCFSA-N 490.607 1.668 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1539205360 HDORQEXEPWFCPM-CVDCTZTESA-N 490.630 1.344 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1539210525 FCLPZPIBORJZOV-VXKWHMMOSA-N 471.627 1.929 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCN(CC)S(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1539211609 JGRVTQQXXJPOQB-QGZVFWFLSA-N 483.616 1.145 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539221132 NSRNKQKNSWCPRS-QRVBRYPASA-N 461.588 1.695 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCC(F)(F)F 1539237945 NTTABVINKXNKIO-UHFFFAOYSA-N 481.504 1.298 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(C(C)C)C1 1539325266 FATFNZLIFLDYSM-SFTDATJTSA-N 476.647 1.194 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@]2(O)CCSC2)n1 1539424802 XBKNOXHGCDKWJI-JOCHJYFZSA-N 453.572 1.691 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2cccc(OCC(N)=O)c2)CC1 1539484106 CIAKXFNJGYUZJR-UHFFFAOYSA-N 478.597 1.889 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCC(C)CC1 1539557741 YWASUDHZXCRANC-ZRCGQRJVSA-N 478.663 1.724 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCSC2)C1 1539751190 ICSVOVLGSHUTPI-FXAWDEMLSA-N 471.649 1.537 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1539916717 MJVYADHMQNUNEM-HSALFYBXSA-N 498.694 1.759 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1539917078 QZHNJPIIVYHYJI-RTBURBONSA-N 496.678 1.954 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1540862383 AJNOBJFXYKKLRM-ZHRRBRCNSA-N 477.562 1.874 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1540863716 CJMWQHMHHVJMRG-HZPDHXFCSA-N 465.352 1.722 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2nccnc2C)CC1 1540865130 WOKDRCNPVTVZJJ-UHFFFAOYSA-N 478.557 1.690 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1540871753 SPLZTCOQFKFEEZ-UYAOXDASSA-N 459.639 1.548 30 10 JDEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1540912229 QUJPUUBPYDWBOO-UHFFFAOYSA-N 470.599 1.372 30 10 JDEE CC(C)C(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1541259709 HOBSPHRJLXBGOH-HSZRJFAPSA-N 486.598 1.061 30 10 JDEE COc1ccccc1C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)CC1 1555037465 CCVAZAHWYDPUJU-PXNSSMCTSA-N 488.614 1.947 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1588050303 QXPNDTUZGZSVJL-IAGOWNOFSA-N 484.582 1.101 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588068927 CFKGCBLWWFBPFY-DENIHFKCSA-N 487.674 1.888 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](O)(c1ccccc1)C(F)(F)F 1588180727 JEISJYWQCRAUCU-UZLBHIALSA-N 483.516 1.801 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1588806633 XRTATNOVLPCLHH-UHFFFAOYSA-N 460.542 1.006 30 10 JDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1nncn1C 1589295055 CCPYPLYRVYLFRT-VXGBXAGGSA-N 459.374 1.267 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1595577464 SVIKDRNQVSNCOB-XMMPIXPASA-N 476.541 1.516 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1595811985 JFUDLJCCUMJGMG-UHFFFAOYSA-N 478.582 1.458 30 10 JDEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1614348992 GBJNHXKPQAITTN-DYESRHJHSA-N 467.574 1.710 30 10 JDEE CS(=O)(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 1620148703 AWOSDDKQJCRACN-INIZCTEOSA-N 496.515 1.899 30 10 JDEE CCOC(=O)c1c(NC(=O)N2CCN(C(=O)c3cccn3C)CC2)c(C#N)cn1CCOC 1623545246 HWFDHZUQLVEWBC-UHFFFAOYSA-N 456.503 1.511 30 10 JDEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 1625995958 AICNGFCSSQUWFI-UHFFFAOYSA-N 457.556 1.385 30 10 JDEE C=CCn1c(SCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)nnc1-c1ccccn1 1643767128 FCOJQLJPBNCBAO-UHFFFAOYSA-N 457.604 1.677 30 10 JDEE C[C@H](CC#N)N(C)S(=O)(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 1660906707 HNXMPFKSXIORHF-OAHLLOKOSA-N 454.549 1.873 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689982003 GDEMVSWKBKNXTI-AUSIDOKSSA-N 480.631 1.905 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CN(CC(C)C)CCO1 1690018210 XRSJRNIWFZTEBM-HSZRJFAPSA-N 476.629 1.882 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@]2(O)CCSC2)n1 1690109478 SQDNJIDCZDLZRG-SIKLNZKXSA-N 460.604 1.870 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1690111487 CLYQGYOKDOPFHB-CNNODRBYSA-N 465.668 1.154 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCOCC(F)(F)C(F)F)CC1 1690134994 NSCWFRMFFMSEIL-UHFFFAOYSA-N 488.486 1.397 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2ccccc2)CC1 1690146500 PJGTUCPXFVDFDV-DVECYGJZSA-N 485.610 1.054 30 10 JDEE C=C(Br)Cn1c(N(C)CCN2CCOCC2)nnc1[C@@]1(OC(C)C)CCOC1 1690233688 OORNFRZDOFLLFF-LJQANCHMSA-N 458.401 1.996 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCNC(=O)C(C)C)CC1 1690411982 ZLDSHZMNHZWZLH-SFHVURJKSA-N 468.624 1.176 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c(c1)OCCO2 1690527378 NPTSOYNOAGHYAC-LJQANCHMSA-N 463.560 1.247 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCC2(CC1)CNC(=O)C2 1690676719 BHMXLKOYNAJRTD-UHFFFAOYSA-N 470.599 1.988 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccc(F)cc3)C2)nnc1[C@@]1(OCC)CCOC1 1690678178 NKRMRORIGAFIQH-WMZHIEFXSA-N 459.522 1.949 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCS(=O)(=O)NC)C1 1690714480 NCLDVKITZNXBSJ-BBWFWOEESA-N 484.623 1.379 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Br)o1 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C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1286487366 VJUDOTGNWHPQDZ-MJGOQNOKSA-N 465.558 1.442 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C)N(C)C)CC1 1286488696 RFCZASBBUOOBPY-HNNXBMFYSA-N 476.423 1.962 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@H](C)N(C)C)CC1 1286492211 DUFNAFXQNGGURX-DYESRHJHSA-N 452.559 1.707 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)c(O)c2)CC1 1286493714 IHWYAALUXWUGRI-UHFFFAOYSA-N 466.542 1.129 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2cnn(C)c2)CC1 1286493911 XUYMPJQCXCLXQH-UHFFFAOYSA-N 451.506 1.744 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cscc2C)C1 1286810903 XJCWUSMZVIWNQV-QZTJIDSGSA-N 467.617 1.811 30 10 JDEE C[C@@H]1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1CNC(=O)OC(C)(C)C 1294271208 DYSSKJXGXRLHEI-GDBMZVCRSA-N 450.561 1.877 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)CC1 1298016617 AMYHBQJLJAFPDX-DEOSSOPVSA-N 467.574 1.100 30 10 JDEE C#CCCCn1c(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)nnc1[C@@]1(OCC)CCOC1 1300425450 USHMTYYYUNATFM-PXDATVDWSA-N 472.634 1.867 30 10 JDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(S(C)(=O)=O)CCCC1 1300459724 VXDFZPURWBBMTP-UHFFFAOYSA-N 457.604 1.879 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCN1CCCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1300480141 YDXCDIVMUSZISJ-WOJBJXKFSA-N 476.647 1.405 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1300482587 GPOWUBOIFDDXAR-CVDCTZTESA-N 491.614 1.793 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1300488129 OTYCZZLMLMLZRW-LJQANCHMSA-N 486.598 1.834 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1300496919 WJXMWPYHMSGOII-DLBZAZTESA-N 464.617 1.939 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1300503051 AIIGIEQTUFLRAD-MSOLQXFVSA-N 493.630 1.892 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1300690656 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C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCCO2)CC1 1359040048 GFSOVVOSPMWXQY-SFHVURJKSA-N 451.531 1.460 30 10 JDEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359060848 JMMDXSUKTPPVLL-UHFFFAOYSA-N 456.616 1.742 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1359331150 OOZLKCUZZBBXAW-WBVHZDCISA-N 479.607 1.629 30 10 JDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1441984205 GWRUOLOZAIVJCM-RTBURBONSA-N 450.580 1.775 30 10 JDEE C=CCN1CC[C@H](N(C)C(=O)c2sccc2S(=O)(=O)N2CCCC[C@H]2CCO)C1=O 1467532111 QVMAUWOHYQGACS-HOTGVXAUSA-N 455.602 1.533 30 10 JDEE CCS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CC1 1503234906 ASARWBGDFPXKRV-QHCPKHFHSA-N 489.598 1.938 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 1503406263 HFDLAGXTVUAGED-JOCHJYFZSA-N 484.586 1.213 30 10 JDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nccnc2C)CC1 1504537271 AXEFPZFEMPQGBN-UHFFFAOYSA-N 460.542 1.889 30 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QUQFMKLKQHWZHH-MRXNPFEDSA-N 451.531 1.592 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1508089627 FMXNMJJJEFKGEL-JKSUJKDBSA-N 464.617 1.631 30 10 JDEE CCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)CCOCC1 1513616118 GPCTXLBPFJYEJF-SJORKVTESA-N 454.597 1.414 30 10 JDEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)N(C)C)cc1 1516306523 CXNUHTBMTIUKAL-QFBILLFUSA-N 478.575 1.437 30 10 JDEE N#C[C@]1(F)CCN(c2nnc(CCCc3ccccc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1521069202 GGBHFYFBMFIXJA-OAQYLSRUSA-N 461.563 1.835 30 10 JDEE COC(=O)[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(OC)c(Cl)c1 1529382731 DQYARNWCLMAEQZ-KRWDZBQOSA-N 451.888 1.418 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCNS(C)(=O)=O 1539012244 JQOCUBNQTKFFJO-MRXNPFEDSA-N 468.624 1.790 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)C1CCCCC1 1539013460 ISEOSYNIGSKPKT-UYAOXDASSA-N 466.652 1.724 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCCOC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1539215489 DECGPELACQYAFG-WOJBJXKFSA-N 459.572 1.553 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1539242184 POVVLOCQRIXKCG-LJQANCHMSA-N 463.357 1.330 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCS(C)(=O)=O)CC1 1539484516 RXQSQEDJWKPSLI-UHFFFAOYSA-N 473.599 1.082 30 10 JDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1539517680 QRFMTBISBWHIMN-UXHICEINSA-N 460.648 1.671 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(CO)c2)CC1 1539890637 QZZZJQVKWAYUMG-HXUWFJFHSA-N 461.588 1.554 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N2CCSCC2)CCCC1 1540070945 BPDUNZYXOFHORU-GOSISDBHSA-N 484.692 1.595 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)C(C)C 1540152510 WQNPKIVWZZPQOZ-BURNTYAHSA-N 469.634 1.985 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1540870407 MTOUMYYDQUHEBQ-FQEVSTJZSA-N 459.639 1.469 30 10 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1.743 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1690659040 IGCRHGJIOYVLBY-HNNXBMFYSA-N 489.964 1.441 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1690672797 DGDQVVHCVLMGIS-HXUWFJFHSA-N 480.617 1.089 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690675870 IBISTOPMLJSWMR-UHFFFAOYSA-N 495.628 1.521 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1690726753 KIFILMJRQVATAF-LJQANCHMSA-N 491.639 1.895 30 10 JDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1690749396 BOWSVNOTFNMKSJ-UHFFFAOYSA-N 469.619 1.560 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCCCO1 1692805238 CGBKWIQZHMDGCY-GHTZIAJQSA-N 487.630 1.651 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)nc(N2CCCC2)c1 1705494933 IMARPBYVGVCLQE-ICSRJNTNSA-N 487.630 1.421 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H]2COCCO2)c1 1705507296 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C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1705896617 SHFGWZMSWFFCLV-QMHKHESXSA-N 457.531 1.649 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1705902452 FJDUAZDKRIUWGN-INIZCTEOSA-N 458.588 1.853 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1705906102 SBZFYJCBNMTHNF-NRFANRHFSA-N 452.607 1.171 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(F)c2)C1 1705924276 BPIKCOWXNCKFJQ-RTBURBONSA-N 465.551 1.580 30 10 JDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1706648029 GMGDPAXBYHQPHU-UHFFFAOYSA-N 461.530 1.370 30 10 JDEE CCO[C@]1(c2nnc(N3CCCN(c4ccccc4C#N)CC3)n2CCC(=O)NC)CCOC1 1710474042 ANMOXMGQHUAYAK-XMMPIXPASA-N 467.574 1.655 30 10 JDEE CO[C@@H]1COCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CCC(C)C 1712097775 DOBRBFQSLPPECT-GUDVDZBRSA-N 453.609 1.998 30 10 JDEE CS(=O)(=O)CCCn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1712697125 IBVASVREUJQDRS-UHFFFAOYSA-N 466.571 1.292 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1722358547 DATFYXANVIBDTI-GOSISDBHSA-N 470.555 1.905 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1722360677 BYRRGDJCFANCJE-MOPGFXCFSA-N 490.582 1.395 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N1CCN(CC)CC1 1722392766 LQWNNEMOMTXMQS-NRFANRHFSA-N 472.601 1.410 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)nc(N2CCCC2)c1 1722414136 WHGZXEOUGDLDQY-FQEVSTJZSA-N 487.630 1.422 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCn2ccnc2C)CC1 1722584470 ZNIKUOSXEMNTRG-IBGZPJMESA-N 463.608 1.609 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1722728974 UWORYYRDECCTCO-QGZVFWFLSA-N 466.633 1.470 30 10 JDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1740576519 YZWIRKOMEXAFEV-HXUWFJFHSA-N 456.591 1.526 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740616049 QVGSUOQJKRFPAY-FQEVSTJZSA-N 455.584 1.774 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)Nc1ccccc1 1740657364 RLBAKOVBDVKERH-FQEVSTJZSA-N 484.582 1.103 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1740671237 BNOTZKXMNXZYKD-QUCCMNQESA-N 486.598 1.124 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@]2(CCOC2)C1 1740711379 MNPKEPMNINHXSH-JOCHJYFZSA-N 491.639 1.558 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740764316 DDYBJMSIYMWGAT-HVTWWXFQSA-N 483.635 1.501 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1740959798 FELPOSHTAMRQOL-SFHVURJKSA-N 472.615 1.872 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1Cc1ccoc1 1741943272 HHKBTZQSLCXCGP-HNAYVOBHSA-N 456.528 1.979 30 10 JDEE CN(C)C(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1747539905 FILLUXNKEIFBKH-UHFFFAOYSA-N 473.541 1.602 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1Cl 1748670769 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C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(C(C)(C)O)cc1)[C@H]1CCS(=O)(=O)C1 1760181930 FFKFOTBLJNOWAA-IBGZPJMESA-N 473.599 1.319 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1760187738 FIEOTJJHJVATOG-IBGZPJMESA-N 466.567 1.505 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1760192590 WENNXWZWPPRICG-FQEVSTJZSA-N 455.584 1.578 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)Oc2ccc(Cl)cc2)CC1 1760253362 DPDHXLBGUZKKPZ-IRXDYDNUSA-N 481.022 1.764 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCn2cc(Br)cn2)CC1 1760260987 IPOLYSIGKDVLAW-UHFFFAOYSA-N 472.395 1.554 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1760275427 XCFKYESMBXYCFM-HOTGVXAUSA-N 478.648 1.176 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCCCO1 1760295023 LQILYPGMPREJFI-DBXWQHBBSA-N 451.593 1.562 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N(C)C)c1 1760505102 KZZDWBFHIHWLBA-IBGZPJMESA-N 461.588 1.569 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1760554256 XBTWYQBXLGPNMK-HSZRJFAPSA-N 483.598 1.694 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)CC1 1760574286 HGPMXMSTJPWROQ-UHFFFAOYSA-N 463.546 1.438 30 10 JDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(NC(C)=O)nc1 1763220947 ACAJSUYXIVXAGL-HXUWFJFHSA-N 474.525 1.845 30 10 JDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)CC1 1765650702 AMZOOPSFODWONE-YTTGMZPUSA-N 455.588 1.969 30 10 JDEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(C)=O)CC2)CC1 1767156046 FCTUXOLYHPLSIQ-UHFFFAOYSA-N 450.591 1.513 30 10 JDEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CC1 1767242558 BVVJEHSSMPMNSZ-UHFFFAOYSA-N 496.616 1.427 30 10 JDEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2CC(=O)NCC(F)F)c1 1770730715 DHGZRIDVHLZYIR-CQSZACIVSA-N 485.417 1.703 30 10 JDEE N#Cc1ccc(COc2cn(CCCN3CCOCC3)c(CN3CCC(C(N)=O)CC3)cc2=O)cc1 1870349320 IVPLURKPOBCPKG-UHFFFAOYSA-N 493.608 1.719 30 10 JDEE N#Cc1ccc(COc2cn(Cc3ccccn3)c(CN3CCN(CCO)CC3)cc2=O)cc1 1870350121 QNMPRLSHRHXLHJ-UHFFFAOYSA-N 459.550 1.852 30 10 JDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)cn1CCN(C)C 1870429583 GVGBECOWDZYGPM-UHFFFAOYSA-N 494.600 1.078 30 10 JDEE COCCN(CCOC)C(=O)Cc1nonc1OCC(=O)Nc1sc2c(c1C#N)CCC2 1872636986 MLQYWUGINKCKBO-UHFFFAOYSA-N 463.516 1.173 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)NCc2ccc(O)cc2)nc1C 1872649262 QWHQRAKBUWDLRV-UHFFFAOYSA-N 487.494 1.759 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)NCCN(CC)CC)nc1C 1872706700 KSHWIVDXTGBTLL-UHFFFAOYSA-N 466.520 1.266 30 10 JDEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21 1873561537 PDCWLHJHNIBVFL-UHFFFAOYSA-N 493.587 1.833 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccnc(O[C@@H]4CCOC4)c3)CC2)CC1 1890179746 DWFDIFTUYQXHBZ-HSZRJFAPSA-N 456.587 1.511 30 10 JDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@H](C)NC(=O)c3ccccc3)CC2)CC1 1891109140 JBKNTMLZPLSMAD-QFIPXVFZSA-N 454.615 1.842 30 10 JDEE 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C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1300710445 BAQNSWYVAVFSDO-OAHLLOKOSA-N 450.469 1.806 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1300711272 VPOQEMYBKQYJSB-DNVJHFABSA-N 499.704 1.895 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)COc2ccccc2OC)CC1 1300722964 ODINNKCCUWQXDU-ICSRJNTNSA-N 494.596 1.919 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1300801161 HVPAEQFFDYHOQF-TWOQFEAHSA-N 454.497 1.875 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(C)(=O)=O 1300901062 KTEVUEFSKYUBQN-UHFFFAOYSA-N 454.622 1.994 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1301457878 DTQITRKTYSVIAH-MWTRTKDXSA-N 489.577 1.587 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCNC(=O)[C@H]1CC 1301586365 KVKZSKXBFXSOFM-LJQANCHMSA-N 456.572 1.666 30 10 JDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)N(C)C 1303694873 GQXZMVZRHBPUHS-PKOBYXMFSA-N 459.620 1.875 30 10 JDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC2)CC1 1305641864 BGNALADWHDIVBZ-AZUAARDMSA-N 451.575 1.890 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCCC2)CCO1 1315014218 BSULXYWZOJBZNB-IBGZPJMESA-N 454.531 1.375 30 10 JDEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ncccc2F)CC1 1316353716 AHJWNVYWCOOGFR-UHFFFAOYSA-N 485.545 1.948 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OCC(F)(F)F)nc1 1358871578 HIKVMNZGNTVZTG-UONOGXRCSA-N 474.509 1.925 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1358955761 SSCGFQCMLBLYAP-ROUUACIJSA-N 471.587 1.036 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1358976347 AJXMSLXDOHQGQG-HXUWFJFHSA-N 473.581 1.859 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)CC 1359024258 JIWSIDFTFXBARF-UHFFFAOYSA-N 483.635 1.913 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(Cl)nc2)CC1 1359040332 POTKXWNQRCUDDG-UHFFFAOYSA-N 455.950 1.577 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccccc2OCCN(C)C)CC1 1359043610 ATLQDCITHJGHRS-UHFFFAOYSA-N 488.596 1.690 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1359333043 MXPWYPISZQVGPI-MSOLQXFVSA-N 451.593 1.125 30 10 JDEE CC(=O)N1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)C1 1359368098 BXCSTCFRXLTHBF-LJQANCHMSA-N 465.558 1.546 30 10 JDEE C=CCOCCNC(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 1453979953 BSSIHADYSPMAAO-UHFFFAOYSA-N 451.314 1.542 30 10 JDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(OCC(N)=O)CC1 1507564973 ZZIUXOUBKUNXOG-UHFFFAOYSA-N 466.590 1.726 30 10 JDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1507580852 MBCLFHWJPPALHI-SFHVURJKSA-N 483.602 1.442 30 10 JDEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507594050 LPEIDYBSEWBECL-HXUWFJFHSA-N 450.543 1.958 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507629852 XBUSOKMSJQVPFS-GOSISDBHSA-N 489.598 1.361 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1507630341 XGEMXZWOFUTSNV-SFHVURJKSA-N 451.556 1.864 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccc(N2CCOCC2)n1)[C@H]1CCS(=O)(=O)C1 1507633156 CXQVKUYSYQCFAO-FQEVSTJZSA-N 486.642 1.773 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)C1CC1 1507653174 MFDZBJNTTNNODF-FGZHOGPDSA-N 467.595 1.878 30 10 JDEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](CNC(C)=O)C1 1507845696 NNBOSNXBAOEDQY-WIYYLYMNSA-N 457.531 1.725 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)c2ccco2)CC1 1507903260 RRXWSYPVWCENDC-UWJYYQICSA-N 465.576 1.514 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCOC1 1508033980 RLWTYRPFTZJGGQ-UYAOXDASSA-N 479.603 1.866 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNC(=O)c2cccc(O)c2)C1 1508122696 KFMXZKFMHYWCBS-RBUKOAKNSA-N 454.531 1.536 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)CCC)CC1 1508160372 GEASZNRDWNACLC-MRXNPFEDSA-N 455.650 1.985 30 10 JDEE CNS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1517623746 AZUFEJBCDGXCEY-UHFFFAOYSA-N 462.580 1.089 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1517624094 BWJGHWAPUQQJNF-UHFFFAOYSA-N 470.534 1.227 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN1CCCCCC1=O)[C@H]1CCS(=O)(=O)C1 1539220261 HSHLVBUAXKEPPZ-UXHICEINSA-N 477.631 1.592 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1539229459 DHJIPWZEBSILON-QGZVFWFLSA-N 477.562 1.538 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1Cc2ccccc2O1 1539325638 KIZOUHOHYPFOJK-TZIWHRDSSA-N 469.567 1.078 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539611782 DYIDFOMINUNKQR-QUCCMNQESA-N 461.611 1.044 30 10 JDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539698186 OOAQCZPPIPGGJP-UHFFFAOYSA-N 481.648 1.722 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1540020759 WYEGGNUGILTBMW-UHFFFAOYSA-N 470.534 1.737 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1540858115 HLGONTGMKJHJEV-QAPCUYQASA-N 483.616 1.398 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1540867484 XRLSOSPPCIPTFS-UHFFFAOYSA-N 452.519 1.099 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1540873582 CSVJIMBQWQSAMG-UHFFFAOYSA-N 483.573 1.311 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCOC[C@@H]1C 1540901700 MIARNTUWYWLZEM-INIZCTEOSA-N 472.571 1.501 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2Cc2nncn2CC)c1 1587697441 QBOUIBLTUKDZKJ-UHFFFAOYSA-N 455.526 1.980 30 10 JDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1587701650 IDNZAMJOLKQAMF-QZTJIDSGSA-N 490.605 1.970 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 1588024345 AJLGEPVUFCXNLD-MRXNPFEDSA-N 462.601 1.208 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1588055207 SYHLBTJPQJDSBF-SJORKVTESA-N 454.618 1.321 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1589405530 RQVCFMONTRGQDR-RDBSUJKOSA-N 458.382 1.051 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](CNC(C)=O)C1 1589481606 AXHMFUISVBCAJY-SXLOBPIMSA-N 462.595 1.519 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1595812131 OBGLPCMKAUDCKR-UHFFFAOYSA-N 476.603 1.922 30 10 JDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1595877952 DPISXNJRDCODTB-HZPDHXFCSA-N 454.622 1.153 30 10 JDEE CC[C@H](C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1613438684 BUEXLPKPOIRROO-SFHVURJKSA-N 479.589 1.299 30 10 JDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1620176481 DWDJROPTFVEDGU-INIZCTEOSA-N 472.493 1.914 30 10 JDEE C=C(C)C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC)C(=O)OC 1624261598 VDUWVNKBWZLHMV-SFHVURJKSA-N 453.561 1.259 30 10 JDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(OC)c(Br)cc1OC 1660902921 XDTQRQMUWKYRGP-NSHDSACASA-N 452.348 1.277 30 10 JDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)[C@H]1CCS(=O)(=O)C1 1666188375 WPVNPTRXDKLWGX-QMWCZEAPSA-N 452.558 1.154 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CC(F)(F)CO2)c1 1689868629 MNUPRVFAJWXURY-PBHICJAKSA-N 496.540 1.369 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(N(C)C)CCSC1 1689951467 YTJXWRUDLLEMJL-NRFANRHFSA-N 462.645 1.702 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689983681 FEJQCOJOWMZYLH-GOSISDBHSA-N 461.975 1.751 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(OCC(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1689992468 LDMMVVMPWXOKCP-GOSISDBHSA-N 459.572 1.016 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1689996795 OJZGAOWOVWVHNT-KRWDZBQOSA-N 479.990 1.616 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccccc1Cl 1690033039 OUFIHGKADVNRSH-KKSFZXQISA-N 463.991 1.912 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CCOC)CCC2)CC1 1690145937 BITWITKVGPCKJM-LJQANCHMSA-N 477.631 1.353 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1690146167 HJDNFZSCQGANQH-OAQYLSRUSA-N 499.637 1.784 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC(=O)N(C)Cc2ccccc2)CC1 1690152304 GTOONLDEOPUQKO-UHFFFAOYSA-N 452.559 1.439 30 10 JDEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](C)(C(=O)NC)C1 1690340954 CTXIJHKILGBTTB-IBGZPJMESA-N 451.984 1.953 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1690485353 QFEDTMVGBPTSLQ-HOIFWPIMSA-N 496.634 1.681 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690675736 CYFKSBODORMUIC-UHFFFAOYSA-N 480.566 1.159 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(C(=O)N3CCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690677433 WTCFIDWBTYUANN-VWLOTQADSA-N 488.633 1.850 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1690696309 AAXLMDPAPNFYPE-GOSISDBHSA-N 469.571 1.815 30 10 JDEE CC(C)[C@H]1OCCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1691003347 GBRCGLCGIGBPLY-YDZRNGNQSA-N 468.624 1.658 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@](C)(O)C1CC1 1692804526 APHAWFKAPCRCGP-SBUREZEXSA-N 487.630 1.243 30 10 JDEE COCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1697721857 AVBRSPRJJMBEGJ-MRXNPFEDSA-N 493.609 1.898 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)CCOC 1705495416 PPROUJNSILIWII-JKSBSHDWSA-N 451.568 1.832 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1705574061 TYEVGTBNKYSOCD-HZPDHXFCSA-N 452.581 1.264 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cnn(CCOC)c1 1705624886 ADZWXPVKVDCLIS-FQEVSTJZSA-N 451.506 1.899 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCS(=O)(=O)c2ccccc2)CC1 1705641131 SJXZZPFBPUFYLF-UHFFFAOYSA-N 450.568 1.493 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@H](F)COC)CC1 1705648249 UBQKBEPOAQVMMJ-INIZCTEOSA-N 467.505 1.544 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1705731305 UEAJQMWOYMKSRA-CYBMUJFWSA-N 477.513 1.717 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1705900062 ORIHMKLEAKMRPO-UHFFFAOYSA-N 451.506 1.606 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1705907800 XZWSUNWHOXYEMW-UHFFFAOYSA-N 459.501 1.308 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nccc(C(F)F)n2)C1 1705916306 OLYDRGXAJVQLJQ-OLZOCXBDSA-N 457.507 1.446 30 10 JDEE CCN1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](COC)C2)CC1 1710269646 ABCDHOUBHMBWTA-OFNKIYASSA-N 483.617 1.606 30 10 JDEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1711021463 HZRZISAXAPWHRJ-PMACEKPBSA-N 474.587 1.768 30 10 JDEE COC[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1712137958 HDZJPGKBTRJKOL-IAGOWNOFSA-N 476.578 1.800 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCS(C)(=O)=O 1722302475 SFQLSMOZVPIOGH-HXUWFJFHSA-N 458.632 1.535 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1722358930 GYJFMQKKQRGZNH-OALUTQOASA-N 490.607 1.320 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722368791 WDGWURGKZWSIDX-IAGOWNOFSA-N 456.634 1.489 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@H]1C(C)C 1722397607 SDAOMHQMAZCWEV-ACRUOGEOSA-N 477.631 1.525 30 10 JDEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)C1CC1 1722423052 XLZLYRYGHWIXBT-JOCHJYFZSA-N 460.604 1.794 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN1S(C)(=O)=O 1722476909 BFOSWEOHXRLUGF-TWFHAPMSSA-N 451.593 1.418 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1722510115 ZZXGWQYPZACEHV-KNKQGSTJSA-N 468.606 1.753 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1722604067 TVLNBEPGOFQROT-BBTUJRGHSA-N 469.608 1.352 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCS1(=O)=O 1722657910 BDAGJWWAIJBYKH-IBGZPJMESA-N 479.628 1.408 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2C)C1 1722723614 ASWSZSZJTASAGG-PKOBYXMFSA-N 497.643 1.375 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1722728982 CRMHEBUHTSNSSL-IBGZPJMESA-N 460.604 1.606 30 10 JDEE C=CCSCCn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1722740804 ZDFUPFGRUWLLKM-QHCPKHFHSA-N 479.647 1.925 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1Br 1723954218 ICQAXDKKPUSGPK-TZMCWYRMSA-N 469.365 1.428 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1729212790 DODKXXLRJNYCFM-UHFFFAOYSA-N 487.630 1.793 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn(C)nc1-c1ccccc1 1740553030 QLGUUNSIYCZFKA-PXNSSMCTSA-N 483.598 1.518 30 10 JDEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740568615 JNTNFHVYWSSFPQ-QGZVFWFLSA-N 471.359 1.658 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(F)ccc1OC)[C@H]1CCS(=O)(=O)C1 1740615314 AINSMVHJOCKJCV-SFHVURJKSA-N 498.540 1.748 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740615331 BENHGKNOPVTAJF-DLBZAZTESA-N 496.634 1.346 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(F)cc2C)CC1 1740706134 QBDGJWYBADPDCG-HXUWFJFHSA-N 452.534 1.885 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCn2cncn2)CC1 1740707897 UTFJWKHKMBKMOC-UHFFFAOYSA-N 462.558 1.731 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1740738086 CXCBPOMZYUUNTA-QJPTWQEYSA-N 472.431 1.055 30 10 JDEE C=C(Cl)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1740811912 HLCNMIQEXTYUIF-UHFFFAOYSA-N 491.383 1.741 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCN(C(=O)OC)CC2)CC1 1740825276 LIMDIASMNUALKT-GOSISDBHSA-N 482.607 1.246 30 10 JDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1740899342 LPQFDYUEEWSWPU-HKUYNNGSSA-N 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VDGUDQMIZAPVFE-SXLOBPIMSA-N 455.584 1.968 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCS(=O)(=O)C1 1358967470 KZAOKSWCLSOPQR-FGZHOGPDSA-N 487.626 1.342 30 10 JDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN(C(C)=O)C1 1359027181 YORLHTFUBSBDBY-SFHVURJKSA-N 458.588 1.614 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC2(C(N)=O)CCCC2)CC1 1359046192 HVDIRXIWWZQRAO-UHFFFAOYSA-N 469.615 1.645 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1359291683 AFRDGRNHQQSYJH-INIZCTEOSA-N 469.571 1.356 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(CNS(C)(=O)=O)CC1 1359297087 FBBLRAGKKLSZQX-UHFFFAOYSA-N 450.540 1.152 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1359301487 ZVOXUCGNANEYKX-FQEVSTJZSA-N 495.632 1.495 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCOc2ccc(S(C)(=O)=O)cc2)C1 1359318836 NIFPLFQPDCZSGY-IBGZPJMESA-N 472.571 1.942 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2c(F)cccc2F)C1 1359321653 JTIPLJBTAKQCSP-UZLBHIALSA-N 497.568 1.913 30 10 JDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1 1460205683 RAXNPUMSWQNNQH-HXUWFJFHSA-N 455.559 1.943 30 10 JDEE C#CCCN(CCOC)C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1461785663 WSKRINAYQAWZMC-UHFFFAOYSA-N 450.557 1.762 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](Oc2ccc(F)cc2)C(=O)OC)ccc1F 1466566384 JPJSOUQPHKMOKX-QGZVFWFLSA-N 454.451 1.780 30 10 JDEE CCOC(=O)C1(S(C)(=O)=O)CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 1473454881 FYYAIISVSBPSOU-INIZCTEOSA-N 453.536 1.903 30 10 JDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccc(S(C)(=O)=O)cc1 1503103655 HQVMHRXORSZZNV-UHFFFAOYSA-N 481.582 1.860 30 10 JDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1504531039 GCRVOXZUUQCALC-VQTJNVASSA-N 454.531 1.163 30 10 JDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)C1 1505123492 HRJKIJCMAHAHOC-ROUUACIJSA-N 463.585 1.407 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC)c(OC)c1 1507536398 BVXFQBCUZXTOPO-OXJNMPFZSA-N 477.587 1.525 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC2(C(N)=O)CCOCC2)c1 1507550800 PLKXFIAPHLNOSD-SFHVURJKSA-N 466.542 1.120 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507623141 SBHGKLKBOGSJRY-BQFCYCMXSA-N 451.593 1.247 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1507623408 RTLRTMZQRWPWHZ-IBGZPJMESA-N 485.614 1.284 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1507626784 OJNKPRPAKCEVAE-RBUKOAKNSA-N 494.639 1.706 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507639016 IRJKTDXZSGHKJL-IBGZPJMESA-N 491.589 1.345 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2(OC)CCC2)CC1 1507737602 AKOXKXKRFBQQPP-GOSISDBHSA-N 463.604 1.105 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCCNC(=O)C1CCC1 1507795859 FQXHRXYTYQBUIW-AQNXPRMDSA-N 479.647 1.904 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1507835449 BCAAIHFNVLWLKY-UHFFFAOYSA-N 466.542 1.839 30 10 JDEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCC3(CC2)NC(=O)N(C)C3=O)cc1 1508104142 KVWXRHUQFAZTBL-UHFFFAOYSA-N 454.531 1.948 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCC1 1510151105 HJFMOCJRDHIVMS-HNNXBMFYSA-N 480.616 1.364 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1 1517123214 AGKCTUXFBVNXLM-HXUWFJFHSA-N 450.591 1.763 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1539124410 FTIVNFBFQNTPJG-IRXDYDNUSA-N 463.564 1.100 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCSCC1 1539180043 VQRSZCOLLXNVCQ-KRWDZBQOSA-N 450.609 1.705 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539213363 YHWWKFAOFMGILC-IEBWSBKVSA-N 493.033 1.589 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1539231631 WJAICFQQVKRRMC-MJGOQNOKSA-N 457.556 1.638 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C1CC1 1539417176 YHHDWUVMXYPDPR-GOSISDBHSA-N 476.578 1.199 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCc2ccc(OC)cc2)CC1 1539477169 JQNJTPYKRVZHHY-OAQYLSRUSA-N 464.570 1.836 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCN2CCCO)CC1 1539477293 LJRWFCZXWYIRBI-OAQYLSRUSA-N 465.602 1.461 30 10 JDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539520111 NNNFDSZITIFIBZ-QFIPXVFZSA-N 453.572 1.445 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1539640471 IDYLBWDZLSLWGG-WIYYLYMNSA-N 455.563 1.616 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)nc1OC 1539668870 GYCLFAPKUWXTJI-QGZVFWFLSA-N 480.591 1.474 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2N(C)C)C1 1539729063 FRDSXLAZFFROJE-INIZCTEOSA-N 463.608 1.505 30 10 JDEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1539744476 NIKKUAHPBIUJCA-UHFFFAOYSA-N 495.584 1.563 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1Cc2ccccc2C1 1539751620 QNNFFJRCGUTHJT-OAQYLSRUSA-N 475.615 1.807 30 10 JDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1539824479 UYECSSFTIKCTKF-RYRKJORJSA-N 452.987 1.544 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1540006041 PYPVYGNJCMZLHO-OAQYLSRUSA-N 485.614 1.775 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1540862149 SOTCUYARWVAOGN-SFHVURJKSA-N 473.965 1.269 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1540869041 ABYHLPMBVAVBOI-FZMZJTMJSA-N 456.425 1.464 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC(=O)N(C)C)CC1 1540874674 OBQMZYLHBWYPFP-UHFFFAOYSA-N 473.603 1.267 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 1540877598 ZUQXKHJXFPCAFD-WDYCEAGBSA-N 490.586 1.436 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1540901899 UDLFDJUEVUFFIF-FQEVSTJZSA-N 485.614 1.968 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC1(N(C)C)CCOCC1 1541676691 BXUQNWMFCNOBHK-UHFFFAOYSA-N 494.644 1.721 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(OC)c(Br)cc2C(=O)OC)C1=O 1544946182 UXRSPGPTQMHKHI-UHFFFAOYSA-N 454.233 1.160 30 10 JDEE C[C@H]1CN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C#N)c2)C[C@@H](C)O1 1545091233 CGPUKSVVOIFGQT-CEXWTWQISA-N 489.646 1.896 30 10 JDEE CCc1cnc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)s1 1546350587 AHQYWSVOZIXQKH-KRWDZBQOSA-N 479.632 1.808 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCC(CCCO)CC3)n2CCN2CCCS2(=O)=O)c1 1555987028 GYAYEEOBLMIRPI-UHFFFAOYSA-N 458.588 1.841 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCC1 1587638032 AVMIVLUXAIFJQS-QZTJIDSGSA-N 451.662 2.000 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCCNS(C)(=O)=O)c1 1587689107 BGFLZGSYLUEAMG-UHFFFAOYSA-N 467.555 1.336 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1587803919 QAQYQGZLTBWKQP-CTNGQTDRSA-N 478.601 1.718 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1588053933 IXTOEEQGBRDENV-CTNGQTDRSA-N 471.583 1.806 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(C(N)=O)CCOCC1 1588173630 GLENSCYTHARTBS-UHFFFAOYSA-N 462.554 1.892 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1588848239 BEFRFFJUPBIGRY-NHCUHLMSSA-N 451.619 1.907 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(Cl)nc2)CC1 1588891191 MXIKDYYRGGMMQT-QHCPKHFHSA-N 472.977 1.993 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1588914121 XGGICAFMXQQLQE-FLFQWRMESA-N 491.527 1.576 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCCS(C)(=O)=O)CC1 1588923617 GSZKRENLKZNEDT-UHFFFAOYSA-N 468.583 1.827 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1589069167 IYNNHFZSZNTWMF-CVEARBPZSA-N 469.633 1.650 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1594625127 DRZXRVSVLHAESN-LJQANCHMSA-N 497.666 1.551 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)CC 1595303457 TUHYOZKOAZKCRD-QGZVFWFLSA-N 466.583 1.704 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1595467522 WWPOIORXZIAWEH-UHFFFAOYSA-N 485.976 1.432 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(S(C)(=O)=O)CC1 1595489307 FEFIWWUKZDBKSM-UHFFFAOYSA-N 471.381 1.351 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1595689709 WXIQOTKDBLDMNU-HKUYNNGSSA-N 494.639 1.955 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCOC1 1595760768 SGHDPSBNSFNZET-QGZVFWFLSA-N 467.979 1.687 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(CC(=O)Nc3ccccc3)CC2)nnc1C(C)(C)C 1595830709 FTJBSBQRKYCKLH-UHFFFAOYSA-N 474.631 1.937 30 10 JDEE C[C@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)C[C@@H](C)O1 1612994738 DOPLFKGFZTZRHI-KDURUIRLSA-N 488.614 1.463 30 10 JDEE C[C@@H]1OCC[C@]1(O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](C#N)C1 1613028197 HLWWQWHDPWZZFH-CEXJFXJFSA-N 476.578 1.661 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)CC1 1626032810 IZQCBYRLZHSEKU-GOSISDBHSA-N 458.563 1.842 30 10 JDEE C#CCN1CCN(C(=O)CSc2nnc3n(CCC(C)C)c(=O)c4ccccc4n23)CC1 1655992683 XTTCSCBDOANPGF-UHFFFAOYSA-N 452.584 1.960 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CC2(O)CCOCC2)c1 1689869066 ZYJOZLSAKBIDHR-RUZDIDTESA-N 483.569 1.528 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Cc1ccc(OC)c(OC)c1 1689965995 IIJODDDVNKLVPK-LAUBAEHRSA-N 491.614 1.576 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCCCC2)nc1 1690000359 ZQPYVHJYTYCWDC-LJQANCHMSA-N 469.615 1.785 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1690023642 APPTUPOVUCYSGK-FQEVSTJZSA-N 453.616 1.649 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCc2ccccc21 1690047643 VZOHJKBTEDDGBQ-IRLDBZIGSA-N 467.595 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C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705568747 UQBNDJJOEMYMGH-IBGZPJMESA-N 498.609 1.660 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)CC)CC1 1705699006 BEVOHIGFTGZQHP-SUMDDJOVSA-N 451.593 1.614 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)[C@H](C)C1 1705706082 PFWUTYJDXZHFRG-QINHECLXSA-N 458.588 1.918 30 10 JDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1705747724 SPFLXTQSMMZGIP-CQSZACIVSA-N 469.955 1.876 30 10 JDEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@H]1C)c1ccccc1 1705795905 UPODJZQVAYEINB-ZIFCJYIRSA-N 460.604 1.915 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1705900905 TUKXXCOHMHMJFT-UHFFFAOYSA-N 462.558 1.722 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1705903276 PCUIIOSFKHPQJV-KRWDZBQOSA-N 475.557 1.948 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccncc2)n1CCN1CCCS1(=O)=O 1711073796 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C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@](C)(O)C(C)C)CC1 1722437556 FSVWIEAKAPWDQX-JOCHJYFZSA-N 459.620 1.400 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)cc2OC)CC1 1722448865 BGWLGFZCLXUAMQ-UHFFFAOYSA-N 480.569 1.432 30 10 JDEE C=C(C)COCCn1c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722538321 NQVHRNHZFAZPOK-NFBKMPQASA-N 497.662 1.916 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](CC)N2CCCC2)CC1 1722565995 HJAROGSHJXJPAS-RTBURBONSA-N 452.625 1.642 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1722727210 MVZXCQUNINSCKD-FQEVSTJZSA-N 494.662 1.255 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1722730078 HSILRHGLNSERQC-OAQYLSRUSA-N 464.680 1.828 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1722731125 DYSOCNFYOYHKLU-JPYJTQIMSA-N 487.582 1.714 30 10 JDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1730401793 HWNSEEJDXUUKAQ-XUVXKRRUSA-N 459.572 1.882 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1740581486 YXKDJFZHUUBFAR-OAHLLOKOSA-N 458.544 1.034 30 10 JDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 1740616826 HSNSDNBKMHAUJP-AEFFLSMTSA-N 476.555 1.406 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cnn(CCOC)c1)[C@@H]1CCS(=O)(=O)C1 1740619190 GLXWBTGGHBDLFA-GOSISDBHSA-N 489.989 1.511 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1CCCCN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1740622982 MENLPDZVLXRYBK-QFIPXVFZSA-N 476.691 1.980 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)N1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1740625048 COOIZELSURAQGN-UXHICEINSA-N 493.674 1.688 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1740672028 VDCLSXAFGSDEGH-AWEZNQCLSA-N 461.535 1.800 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1740685747 QNPOIAMNYUERQC-LJQANCHMSA-N 487.630 1.363 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)(C)O)CC1 1740696517 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C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1358956124 AUJKNWWOVDVABF-GOSISDBHSA-N 461.975 1.751 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1358958804 WEESPAACIBKOOZ-GOSISDBHSA-N 471.539 1.934 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1358959710 OEXGFNFFQDQASD-PMACEKPBSA-N 457.600 1.601 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOC(C)(C)C1 1358991646 JVJGIKSFQZVMRP-UHFFFAOYSA-N 473.581 1.766 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(=O)NCc2ccco2)CC1 1359046391 PYXAGZQYDFTMLJ-UHFFFAOYSA-N 461.526 1.139 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[S@](=O)CC)CC1 1359047537 KLYKPCAJLYKMPP-HMBVCUQOSA-N 463.648 1.931 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNS(C)(=O)=O 1359261065 VLGAIODLCGPETC-INIZCTEOSA-N 471.580 1.061 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359291851 CSNQMJCNBUKQFW-DOTOQJQBSA-N 457.510 1.415 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1359303609 VLHRJNCIOIDMKU-FQEVSTJZSA-N 451.531 1.513 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1Cc1ccco1 1360703710 CGCFWZKJOUCMKN-HNNXBMFYSA-N 473.534 1.867 30 10 JDEE C=CCN(CCOC)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 1436108746 GFAWXUJSHLRILS-UHFFFAOYSA-N 451.589 1.972 30 10 JDEE CC(=O)N[C@](C)(C(=O)N1CCN(c2cnccc2C#N)CC1)c1ccc(S(C)(=O)=O)cc1 1468536227 BTISLFDIFFXHRH-QFIPXVFZSA-N 455.540 1.057 30 10 JDEE C#CCN1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CC1 1471936961 CYDISWOUOXIYEF-HZPDHXFCSA-N 453.992 1.965 30 10 JDEE Cc1nccn1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1492711749 DQZOGBGVUIJCFI-KRWDZBQOSA-N 484.586 1.404 30 10 JDEE CC[C@@H]1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1499451238 GOYJJUFFULNHJO-PDOICOKGSA-N 454.572 1.879 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1507632001 HWYHSEONCWIHOP-DLBZAZTESA-N 497.419 1.806 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1507662317 QEGPTBMGPFEJNV-OAQYLSRUSA-N 464.494 1.559 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1507678962 FMFPSRITKPZHPY-INIZCTEOSA-N 450.536 1.956 30 10 JDEE C#CCN(CC)c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)N1CCSCC1 1507697628 JMYIVHZRINEANG-UHFFFAOYSA-N 451.593 1.846 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCNC(=O)c2occc2C)CC1 1507737631 AYXXIEHHGIILLL-LJQANCHMSA-N 468.558 1.469 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C)n(C)c2=O)CC1 1507739675 TYGSQEGHBZKRSX-HXUWFJFHSA-N 452.559 1.193 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cc(C)oc1C 1507984612 ZCNSVESYOWDCAQ-FXAWDEMLSA-N 453.565 1.351 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1508071758 MAKCPGURDQEWNI-UHFFFAOYSA-N 480.635 1.436 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C)C1 1508134025 AOSOTZSZIQSALM-ZDUSSCGKSA-N 458.382 1.872 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](CN2CCCCC2)C1 1508140996 KTBORMONXUCYPR-QZTJIDSGSA-N 450.609 1.142 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC1CCN(CC(F)(F)F)CC1 1509691653 AWXFANTWRUTIBV-INIZCTEOSA-N 457.501 1.809 30 10 JDEE CC(C)OCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1509863187 AVZLHIFWTBZLJI-QGZVFWFLSA-N 461.592 1.512 30 10 JDEE CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 1524443748 ACGOSOUVBSAEFU-HXUWFJFHSA-N 455.536 1.903 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 1539206203 NKIUFPHVFCSUQZ-SFHVURJKSA-N 483.550 1.490 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1539206920 XAKDOADQPYOJCP-VQIMIIECSA-N 487.420 1.854 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(C)cc1)N(C)C 1539325090 BRUUIGNJEUJZKC-PKTZIBPZSA-N 498.653 1.685 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCOC[C@H]2CCCO2)CC1 1539482342 SRPNRWIZMLJOOI-LEWJYISDSA-N 459.591 1.724 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](F)COC)CC1 1539484072 BJUCKYFAMRFCIK-GOSISDBHSA-N 453.522 1.467 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1539512723 FLWCEUOOXRFPQU-IBGZPJMESA-N 452.584 1.866 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1539516957 GOAHFHDSBYHEJK-DLBZAZTESA-N 483.660 1.992 30 10 JDEE C=C(Br)Cn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1539613091 ULWMYZSPBNGCQH-LPHOPBHVSA-N 472.384 1.569 30 10 JDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1539751128 HBFQMBLGHHOTOS-IBGZPJMESA-N 473.578 1.822 30 10 JDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539816504 BFWJWAZTOVUOOB-CYBMUJFWSA-N 463.951 1.495 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1540873588 CYTWVLLEJZYRPY-SJORKVTESA-N 475.594 1.442 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1540908485 XJOMIJWIYZBVKY-KRWDZBQOSA-N 471.587 1.672 30 10 JDEE CC1(C)COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1542012817 HWVVUBLQQJBJKG-IBGZPJMESA-N 458.588 1.551 30 10 JDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(=O)N2CCOCC2)CCO1 1555992849 CPSPDZNQRYEQPU-CQSZACIVSA-N 451.314 1.839 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CCC)C(=O)OC(C)(C)C 1587638759 HELJPPCSPYWUJX-ZWKOTPCHSA-N 498.650 1.716 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CCOC[C@@H]2OC)c1 1587689626 NSVXZERFYYHAPE-RXVVDRJESA-N 461.526 1.843 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588024491 FOOKTYSQTQQLKE-QUCCMNQESA-N 455.584 1.945 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1588058826 DCCUGFHRNUCALQ-BJLXPSRBSA-N 464.588 1.546 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1C[C@H](Cc1ccc(F)cc1)C(N)=O)[C@@H]1CCS(=O)(=O)C1 1588059594 QQFURBVSCBGIHU-AZUAARDMSA-N 475.590 1.587 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccnc1OCCC)[C@@H]1CCS(=O)(=O)C1 1588070191 XCYUESZAQVLZCY-LJQANCHMSA-N 486.598 1.259 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CCCn1cc(CO)nn1 1588118029 WGUIJVGVPKTKEC-UHFFFAOYSA-N 454.332 1.955 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ncc(C)s1 1588386031 MLBSCXGSVHBVCS-GDBMZVCRSA-N 452.606 1.639 30 10 JDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(-n2nc(C)cc2C)nc1 1588672995 JYKKNURYCKILTK-UHFFFAOYSA-N 462.558 1.732 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(N2CCOCC2)CCSC1 1589151465 ZRSHKXALYPMDNP-IOMROCGXSA-N 482.676 1.088 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NCC)CC1 1589570409 UVDUEFCMYMFYTK-OFNKIYASSA-N 470.622 1.379 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1593695364 DWAACIZAGSFXRL-INIZCTEOSA-N 482.607 1.483 30 10 JDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1595405622 UPADAZWYGKGFHM-INIZCTEOSA-N 462.551 1.266 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1595475811 GFVRPWPSGXFXDJ-IZHWHUGBSA-N 499.547 1.674 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1595501533 XEIVVXPORCUIFT-LJQANCHMSA-N 476.585 1.252 30 10 JDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCNS(=O)(=O)c2ccccc2)C1 1611765102 FHCJJPNVMYSLRB-QFIPXVFZSA-N 471.587 1.623 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCNS(=O)(=O)c3ccccc3)CC2)c1C#N 1612469896 HQULPVITVVNDTF-UHFFFAOYSA-N 497.629 1.620 30 10 JDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC(C)(C)C2)c1 1619135349 FRDLIYPBGNVVFR-FQEVSTJZSA-N 456.547 1.802 30 10 JDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1)c1ccccc1 1636558186 WRTDQFZEEQVZDE-GOSISDBHSA-N 458.496 1.994 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2(CO)CCN(C(=O)OC(C)(C)C)CC2)cc1 1637803105 UOAVSODQGITHIW-UHFFFAOYSA-N 451.545 1.090 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2cc(S(N)(=O)=O)ccc2F)cc1 1667955742 CQJDEOQPSFGGMJ-UHFFFAOYSA-N 456.521 1.601 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2(S(C)(=O)=O)CC2)c1 1689868409 FZQXQDIHQGPJOW-UHFFFAOYSA-N 484.582 1.148 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC[C@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689978377 UFDYJDZYUOSFBM-KBPBESRZSA-N 465.498 1.010 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O)[C@@H]1CCS(=O)(=O)C1 1689986527 RRKJDPHLBFFZLU-UYAOXDASSA-N 498.584 1.394 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CCNC(=O)c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689993444 DRNTXXWQJULKKH-LJQANCHMSA-N 471.583 1.296 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2CC2CCS(=O)(=O)CC2)n1 1690109546 VRZMBFFJCBLKJJ-HXUWFJFHSA-N 490.630 1.480 30 10 JDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1690326892 GRRSEAYFAQMCDS-UHFFFAOYSA-N 498.009 1.555 30 10 JDEE C=C(Cl)Cn1c(N2CCN(S(=O)(=O)Cc3ccon3)CC2)nnc1[C@]1(OCC)CCOC1 1690358440 AQUZCORWXMROQU-IBGZPJMESA-N 486.982 1.323 30 10 JDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[C@H]2N2CCCS2(=O)=O)CC1 1690361034 FLNICQMQZNCYGH-ZWKOTPCHSA-N 450.609 1.777 30 10 JDEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)(=O)CC1 1690485487 UVKCBEYYKZWSCV-MRXNPFEDSA-N 455.581 1.788 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ccc(C)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1690678426 WAGNMXZLZVKGDX-XMMPIXPASA-N 454.575 1.867 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C(C)C)CC2)C1 1690699681 HWXRTRCOKLFTCO-ZWKOTPCHSA-N 453.609 1.829 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCOC[C@@H](C3CCC3)C2)nnc1[C@]1(OCC)CCOC1 1690731578 MLZXYAKYIJBGQH-UGKGYDQZSA-N 468.620 1.784 30 10 JDEE CCN(CC)[C@@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1695609121 AXVGTWKOJOLREA-PKOBYXMFSA-N 451.579 1.553 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N1CCOCC1 1705492728 WDYKVBIUGGYAAL-CEWLAPEOSA-N 457.600 1.712 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCC[C@H](C)C2)c1 1705506718 GYLPAIKVXMQDBE-FPOVZHCZSA-N 498.653 1.968 30 10 JDEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1705511500 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C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2OCC)CC1 1722438257 UPKCWCLFLHQEDQ-HXUWFJFHSA-N 457.600 1.691 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC(=O)N2CCOCC2)CC1 1722440547 AUMQTSIBBMQZIU-UHFFFAOYSA-N 466.586 1.478 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(C)cc2C)CC1 1722444287 IMIOZKYUWUYJAD-IBGZPJMESA-N 486.642 1.714 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1722456092 YPNOJHZAWIJURA-IRXDYDNUSA-N 462.553 1.829 30 10 JDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1722493533 IKZCZXHMDZMHCK-GOEBONIOSA-N 453.385 1.827 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCN(CC)CC1 1722518082 UGRQTMRGLBOQHM-PMACEKPBSA-N 483.683 1.039 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2N(C)CCCC2(C)C)C1 1722711444 UVPGFVYESVBTDF-KURKYZTESA-N 454.641 1.790 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1722724128 OJGMHOVFZISQGC-UHFFFAOYSA-N 474.008 1.281 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCCCC2)CC1 1722726835 IVIKIHWXYBNKKG-GOSISDBHSA-N 450.609 1.285 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@]3(CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722731373 JIINOILSYXPXIV-NHCUHLMSSA-N 454.593 1.536 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1722739899 YPESGUFOHWPQEI-MRXNPFEDSA-N 494.643 1.795 30 10 JDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)[C@@H](C)C1=O 1723459353 GWCJYPXAJKQFKK-GHTZIAJQSA-N 499.641 1.934 30 10 JDEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 1728628684 GPMUBBPHYJQJTQ-DENIHFKCSA-N 453.591 1.956 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1SC 1740549673 GKZIVYFKECUMBO-RHSMWYFYSA-N 467.592 1.978 30 10 JDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1740587203 AZCZMJXMCNFBNW-WOJBJXKFSA-N 450.591 1.965 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740622522 ZCLSDRXVMKXJRW-QGZVFWFLSA-N 459.572 1.353 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1740640427 MYOVJVJAZSMSEB-SLFFLAALSA-N 463.604 1.135 30 10 JDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCNC(=O)C(C)C)CC1 1740694310 FXTKHSBAIMHQFY-UHFFFAOYSA-N 462.558 1.511 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C2CCCCC2)N(C)C)CC1 1740708502 RJUMXBKYDOEAFT-JOCHJYFZSA-N 483.661 1.877 30 10 JDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1740713193 HUDCZVYQQPLSKW-UHFFFAOYSA-N 453.576 1.638 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)[C@@H]1C 1740887971 NMGKLIWBFGOFKL-ULQDDVLXSA-N 459.638 1.534 30 10 JDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN(C)S(=O)(=O)CC 1740897920 ZAYLEEWVGVTITN-UHFFFAOYSA-N 459.576 1.486 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CCN(C)CC1 1740899575 NTOHSIFTBHDWTD-INIZCTEOSA-N 458.654 1.061 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)N4CCCC4)n3CCN(C)C(C)C)CC2)c1C#N 1742668925 GVNFPNCTAYOUDK-UHFFFAOYSA-N 468.610 1.095 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)N1CCSCC1 1748667437 UHTWWNJBZVYZLC-OAHLLOKOSA-N 487.611 1.430 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1748732145 UEZMTZZCYQPQOD-SFHVURJKSA-N 474.587 1.761 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748821713 UBLGVFDFHUUWNK-HXUWFJFHSA-N 461.636 1.497 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1COCCO1 1748868625 BNOZGOCXLONHNE-GOSISDBHSA-N 456.572 1.425 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(COC)c1 1748930037 WJMPKANNGVXJJP-LJQANCHMSA-N 465.551 1.404 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@]2(N3CCOCC3)CCSC2)CC1 1749003999 BXXHNJAKMZTJIS-YADARESESA-N 474.675 1.965 30 10 JDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1749402358 MRYINTGALAWWDM-ZWKOTPCHSA-N 471.649 1.541 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1749719435 VIGMFMPISKUZBK-RBUKOAKNSA-N 454.531 1.174 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2CCOC[C@H]2C1 1749724613 KOTJILMYAXPSLZ-OAHLLOKOSA-N 485.408 1.157 30 10 JDEE CC(C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1F 1750525977 GTVUFMAPAIWWOS-VQIMIIECSA-N 492.577 1.457 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760192351 SUGZXUXQYDYBCO-UYAOXDASSA-N 485.610 1.707 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1CCNS(C)(=O)=O 1760197634 CUVVPHCBHRSXLC-UHFFFAOYSA-N 470.780 1.983 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C1CC1)N(C)C 1760203935 VVQZOJQBURIGOI-WOJBJXKFSA-N 456.591 2.000 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCC[C@@H]2CCCCO2)CC1 1760271492 ZNLSSTFZALHWDY-FQEVSTJZSA-N 456.591 1.716 30 10 JDEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1760274769 SQBTZZDZTJBQBU-UHFFFAOYSA-N 471.555 1.995 30 10 JDEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC(C)C 1760468834 JPOWXJNVPIEJBP-IYBDPMFKSA-N 456.613 1.999 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1760510373 VLBFENYBFHDSRB-SFNQZPIRSA-N 453.590 1.171 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760519350 ATJGKCPGSOOAOA-HNNXBMFYSA-N 456.503 1.295 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1760520457 NUITZQBJKHVWNA-UHFFFAOYSA-N 475.553 1.542 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760524747 ICADZYKLUTVKCL-AWEZNQCLSA-N 453.515 1.463 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1760565915 HJYYXOZJTGAQNP-SJORKVTESA-N 493.659 1.497 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)CC1 1760617934 BIZIXRRKTBYZTG-QHCPKHFHSA-N 450.499 1.898 30 10 JDEE CC[C@@H](C)N(C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1762008520 HNYOROOBNRRRND-UYAOXDASSA-N 453.595 1.911 30 10 JDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCOCC2)CC1 1764886731 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1.330 30 10 JDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1286706825 UNWJLFYFNOCQML-UHFFFAOYSA-N 456.547 1.677 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1286843600 YUABOHPPPWLAAI-GHVJWSGMSA-N 478.557 1.237 30 10 JDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CCO1 1291279067 HVAGCWNCNLEJOL-SJLPKXTDSA-N 460.560 1.378 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)SC)c1 1300334238 IZUPLZSBLVWBMI-NVXWUHKLSA-N 461.613 1.988 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccccc1-c1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1300479923 VLHLLXPUBJJFEF-FQEVSTJZSA-N 495.609 1.492 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1300538217 OOBHACUESWXFPN-VXKWHMMOSA-N 467.595 1.154 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(C)COCCO1 1300559765 ZNJIGIYHALLFNZ-HSZRJFAPSA-N 470.599 1.815 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCN(c3ccccc3F)C2)CC1 1300680856 GFYXVEOYVHEEEE-IBGZPJMESA-N 453.566 1.837 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)CC1 1300869581 MTWRWPXGNMATSW-WIYYLYMNSA-N 488.614 1.503 30 10 JDEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1300927549 NUAMNDSIMFWPJU-QGZVFWFLSA-N 471.949 1.910 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCC2)CC1 1301043656 BBXZNPQLJSZZDE-KRWDZBQOSA-N 459.016 1.428 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1301436305 ZZPKRPYUKDOEKN-MRXNPFEDSA-N 453.590 1.395 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCS[C@H](C)C1 1301509244 DHLZLKWYOOJQIY-HXUWFJFHSA-N 469.659 1.887 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(=O)NC(C)C)CC2)cc1 1301526800 RCXQALLGJNFTBK-NRFANRHFSA-N 481.601 1.489 30 10 JDEE C=CCS(=O)(=O)CCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H]1CCS(=O)(=O)C1 1301596470 PXTKLYTUWTZWGR-TZMCWYRMSA-N 476.531 1.301 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCC2)CC1=O 1301927357 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30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1507652822 LLGPMPYEWSKXPI-UHFFFAOYSA-N 466.505 1.290 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1507751180 LKCIVMGHIWRMIO-CYBMUJFWSA-N 486.545 1.918 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(Cl)cccc2C1 1508071974 CRFAFYMGEYXWME-CYBMUJFWSA-N 452.968 1.407 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 1508123749 JPPJGXWEJGTBCG-ZWKOTPCHSA-N 481.619 1.828 30 10 JDEE CCC[C@H](C)C(=O)NCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1514285591 IAJYQOYDEBTJEE-NPPFBWRTSA-N 495.650 1.293 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1539201279 ZTEYHFOLGPKMGN-SFHVURJKSA-N 459.572 1.408 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1539206961 YEXCHXZDCZYHEO-HNNXBMFYSA-N 467.498 1.309 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1539207168 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C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588034071 AVFARMYCHMUVEL-RADWXHQJSA-N 460.556 1.120 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588070290 YAMULMZFMLVNDR-QGZVFWFLSA-N 491.639 1.592 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1S(=O)(=O)N(C)C 1588638212 PPXNHUYKYYLXTG-IBGZPJMESA-N 461.588 1.904 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1588749875 ANCJGVSIEHKENL-RDPSFJRHSA-N 496.603 1.430 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[C@H]2COCCO2)CC1 1588813165 WDYXINRTOXVGKN-NRFANRHFSA-N 488.633 1.953 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1595649712 UGBGSXXKJZYPKQ-DOTOQJQBSA-N 483.616 1.125 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)c(F)c2)C1 1595674729 SQJRBZXLMHMNJH-NVXWUHKLSA-N 466.583 1.923 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2occc2C)C1 1595728291 AKZZBCGMRPIAIA-SJLPKXTDSA-N 451.549 1.342 30 10 JDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC=CO2)CC1 1619551743 FJOMWWCTQDXBDC-HXUWFJFHSA-N 452.515 1.716 30 10 JDEE C#CCN1CCCN(C(=O)CCc2nc3c(c(O)nc(=O)n3CCCC)n2CCCC)CC1 1628350552 BYXWHTMOTBMWPP-UHFFFAOYSA-N 456.591 1.999 30 10 JDEE C=CCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 1666428321 XQRFJVRMPRUBNN-UHFFFAOYSA-N 453.542 1.192 30 10 JDEE C#CCC1(NC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)CCOCC1 1675618928 ZDRWYHKDBGFAOU-UHFFFAOYSA-N 450.561 1.468 30 10 JDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)[C@H]1CCCO1 1681812601 MXHASUFYQYJVPF-DLBZAZTESA-N 456.362 1.646 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CCC2)c1 1689868380 FILNWZQYACRTCB-UHFFFAOYSA-N 459.510 1.897 30 10 JDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1689901330 JFODROCWPSCGTR-HXUWFJFHSA-N 452.563 1.710 30 10 JDEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1689925898 DCOVBQODODPZGF-GOSISDBHSA-N 497.625 1.996 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(N(C)C)cc1C)[C@@H]1CCS(=O)(=O)C1 1689988108 JHJNYTDAEQVUCV-HXUWFJFHSA-N 465.583 1.785 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(SC)CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 1689989957 KDWJKBYNHRRYEV-ROUUACIJSA-N 467.661 1.236 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOc2ccc(C)cc2)CC1 1690136925 LKPQLGPYVWXJDC-GOSISDBHSA-N 488.614 1.242 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(=O)NCC2CC2)CC1 1690139856 CBVYPNXOEXNSPV-UHFFFAOYSA-N 450.543 1.446 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(C)n2)CC1 1690410990 CHHFEYGTQMOQTJ-HXUWFJFHSA-N 460.604 1.960 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1690667303 YUUJIKQDYPNXHD-UHFFFAOYSA-N 461.530 1.523 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1690669432 FLKAZYGGYDKIPZ-GOSISDBHSA-N 485.976 1.537 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1690670604 FRTQOEKGNCQPDG-INIZCTEOSA-N 463.560 1.136 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccc(F)c1)C1CC1 1690671102 OXYKHBWWHFOYGJ-LJQANCHMSA-N 492.577 1.221 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(=O)N(C)CC)C1 1690697649 ZOGCFQJGOCAVAR-MRXNPFEDSA-N 451.531 1.452 30 10 JDEE C[C@@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1693865202 CMAQXTZDEOVIRW-QGZVFWFLSA-N 453.547 1.008 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CCN(C(C)=O)CC1 1705482158 TZDAGBKVBBOEMF-QGZVFWFLSA-N 472.615 1.912 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNS(=O)(=O)CC 1705596032 POKJVSGYJZXVAA-UHFFFAOYSA-N 481.582 1.077 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCS(=O)(=O)CC1 1705628690 MWLBSAGCYSLALA-UHFFFAOYSA-N 487.630 1.363 30 10 JDEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705722345 HBGXYDWODZEXQX-LLVKDONJSA-N 451.350 1.492 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1705745432 ANQSQMRWQAEFHQ-UHFFFAOYSA-N 479.879 1.634 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1705819807 UUZKOAROYSCIKJ-MSOLQXFVSA-N 498.650 1.928 30 10 JDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1705828810 ZIYHYCKNKVTZEQ-UHFFFAOYSA-N 454.579 1.462 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCCC2=O)CC1 1705829833 CYRIKDFJIQNMKK-SFHVURJKSA-N 465.620 1.754 30 10 JDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1705840754 AZFUWGGPRQDQIL-OAHLLOKOSA-N 457.560 1.238 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1 1705913270 JNRGAFPUNVJNMD-ZWKOTPCHSA-N 459.572 1.495 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)CN2CCOCC2)C1 1705914135 HILFCHWPRGJQPV-RBUKOAKNSA-N 455.563 1.675 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(Cl)ccc2C1 1705930186 HQMYWMIAXQOKNM-CQSZACIVSA-N 488.035 1.705 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)OC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1705939549 ZIHRXHQUHYHRTO-UWJYYQICSA-N 456.609 1.923 30 10 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C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS(=O)(=O)CC1 1740718605 RUNPOVREZGOVLZ-QGZVFWFLSA-N 483.660 1.994 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1740742949 GZIQKQZVISJQBM-HNNXBMFYSA-N 490.362 1.680 30 10 JDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740744859 ZGFMXJGCUVKGMA-HNNXBMFYSA-N 476.379 1.901 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccnn1C)C1CC1 1740745290 QYBRIRRAVFLIPU-CYBMUJFWSA-N 455.382 1.991 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CCOC2)CC1 1740810848 HHNVTKFAJPNNHA-IAGOWNOFSA-N 460.000 1.616 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CCS(=O)(=O)CC1 1740923092 CTHZKDADCOLWCI-INIZCTEOSA-N 465.601 1.423 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1740992823 UKTHXXPMXRQVTQ-LJQANCHMSA-N 473.599 1.782 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1740992871 VCQVLUZSVCMFIR-QUCCMNQESA-N 494.639 1.829 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1741019157 VTBZVMMJWSCYIV-MBOBHEEDSA-N 466.546 1.115 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748811483 HUBAZASCFUFFDO-SVFBPWRDSA-N 472.615 1.466 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1748818794 GNWJDJLNTYJBMP-GOSISDBHSA-N 455.544 1.215 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1748824799 SZXCMERPIPUVOW-NQIIRXRSSA-N 490.582 1.298 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)C(C)(C)C 1748828731 KADJSZYVLSMHSU-UHFFFAOYSA-N 469.615 1.782 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2cccnc12 1748857558 CXWPYVDKKCDJHV-HXUWFJFHSA-N 464.551 1.280 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCc2ccccc21 1748964088 FPCBKKPPGZHPFJ-UNMCSNQZSA-N 487.626 1.817 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2(N3CCOCC3)CCCCC2)CC1 1748977361 GZZDNGIJKRCMFZ-QFIPXVFZSA-N 474.650 1.792 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1749009855 WJDKIRVNFHRZCS-UHFFFAOYSA-N 466.567 1.691 30 10 JDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749085737 DKTWRJWLVONJNO-HNNXBMFYSA-N 494.394 1.731 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCOC)CC1 1749128471 WMFWBZXTMHDYAM-BJLQDIEVSA-N 460.579 1.189 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCCC2)CC1 1749212911 AZXWKGZFBGIECE-QGZVFWFLSA-N 468.624 1.320 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1749657637 ADVKMWPOVKZHDB-MRXNPFEDSA-N 454.535 1.977 30 10 JDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C(=O)NC)C1 1760137109 FLUFCFKJUZNHAQ-IBGZPJMESA-N 452.563 1.207 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1760191146 BNZAETXJEPBIDL-CTNGQTDRSA-N 485.566 1.161 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1760191279 DVFQDNHEFUJOFI-YKSBVNFPSA-N 488.610 1.906 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnn(CCOC)c1 1760201968 OVIBOYFHPLYQMO-UHFFFAOYSA-N 470.537 1.639 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc(-c2ccccc2)n1 1760205641 GREUSSYQVNNUQJ-FQEVSTJZSA-N 480.550 1.387 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccnc(C(C)(C)C)n1 1760206220 UHZWKHILNCOMTL-FQEVSTJZSA-N 499.641 1.404 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CN2CCOCC2)CCCCC1 1760249532 NJOARHKOYCSDPX-NRFANRHFSA-N 493.674 1.549 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1760265165 PYLRYBGCQQVGLM-HXUWFJFHSA-N 457.623 1.310 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(O)CCC2)CC1 1760266491 AKQBDKWGYSFDKV-UHFFFAOYSA-N 483.569 1.852 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C(N)=O)cc1 1760317019 ZTTXIVNWIRPDBS-IPELMVKDSA-N 476.603 1.605 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(C(C)=O)CC1 1760338186 ZOJHGDBYDOYPNI-IBGZPJMESA-N 468.624 1.272 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cn[nH]c1 1760480040 IZCNCDUMQCBYSX-OAQYLSRUSA-N 496.597 1.641 30 10 JDEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1760490859 LNLLRPPRWYKCRN-KRWDZBQOSA-N 479.628 1.809 30 10 JDEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)C1 1761549902 HCDRXAVDKNZZRV-OAQYLSRUSA-N 454.922 1.981 30 10 JDEE C=CCN(CC=C)c1nc(NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)n(C)n1 1870008384 HQPOFARBWRGLEH-UHFFFAOYSA-N 459.304 1.991 30 10 JDEE Cn1cc(C(=O)N=[S@@]2(=O)CC[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267129025 WHHDIMNMAVOPOS-PXTGODKCSA-N 468.385 1.625 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)O1 2268710740 JDCGBRFJMNQDPP-CHWSQXEVSA-N 468.385 1.660 30 10 JDEE CCn1cc(C(=O)NC[C@H]2CNCCN2Cc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2282036579 KWRSLQCHOJHGEA-LJQANCHMSA-N 453.396 1.406 30 10 JDEE CN(Cc1nccn1Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282420148 VHWBSRPCRYJCME-UHFFFAOYSA-N 471.392 1.785 30 10 JDEE CC(C)(C)OC(=O)N1CCN(NS(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 2282496139 WIGCJKGVUMQVJW-UHFFFAOYSA-N 481.424 1.873 30 10 JDEE Cn1ncc(C(=O)N[C@@H]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282561030 PYZSCPLKTYMMHV-CABCVRRESA-N 464.372 1.521 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)n1 2282619214 QTQBFICYFMNENT-HUUCEWRRSA-N 461.372 1.586 30 10 JDEE Cc1cnc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1 2282647385 AVUHBDISYHHGAL-SJORKVTESA-N 461.368 1.789 30 10 JDEE CC(C)(C)OC(=O)NCCN1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1 2282676855 PZXDVCFJTFDKSC-UHFFFAOYSA-N 461.372 1.058 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H]2CN(S(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C[C@H]2C1 2282829355 DCZURGQYCYHNDI-IYBDPMFKSA-N 479.408 1.868 30 10 JDEE CC(C)(C)OC(=O)NCc1cn(CC(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)nn1 2283968003 CAJRGDPVDSFVSB-UHFFFAOYSA-N 477.396 1.980 30 10 JDEE CC(C)(C)OC(=O)N1CCN2CCOC[C@]2(CNC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2288166302 GNWRRMHXWOGAFN-MFEFFIJZSA-N 465.400 1.907 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1 2288266716 NBHKKZDUBGJIJM-LHSJRXKWSA-N 482.412 1.255 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCOC(C)(C)CNC(=O)OC(C)(C)C)n1 2295770933 JMWBSZIBYIIWIW-UHFFFAOYSA-N 466.388 1.769 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(NC(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2337340934 MCUKWFHBEDJZON-DGCWBMGLSA-N 465.381 1.997 30 10 JDEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)Nc1ccc(F)c(F)c1B1OC(C)(C)C(C)(C)O1 2370332104 MSSPWJWGUJJCQO-UHFFFAOYSA-N 472.294 1.451 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1(C)C 2380430197 LXZYBPUAFWMXKS-AWEZNQCLSA-N 484.428 1.786 30 10 JDEE C=CCN1CCN(C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)C(=O)C1=O 64835482 IKZWYQUZWQLOMZ-UHFFFAOYSA-N 462.391 1.521 30 10 JDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccc(N(C)C)cc2)[C@H](C#N)C(=O)N3)CC1 72444683 VPOHCMDNEXGVMW-ZWKOTPCHSA-N 464.526 1.839 30 10 JDEE Cc1cc(C)n(CC(=O)OCC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3)c2)n1 105251918 RDXGTEZJNLOPAK-UHFFFAOYSA-N 461.544 1.933 30 10 JDEE CC1(C)OB(c2cnc(SCCC[C@@H]3CCCCN3C(=O)[C@@H](O)CO)nc2)OC1(C)C 204891150 PJRIQVVDBWSOEU-IRXDYDNUSA-N 451.398 1.382 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2csc(C(C)(C)C)n2)c(=O)n1C[C@@H]1CCCO1 516830310 SIUSFLGZZLWQOK-HNNXBMFYSA-N 458.609 1.648 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 615175036 FHSDMPLPKUXWBG-UHFFFAOYSA-N 485.609 1.163 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2cnn(-c3ccccc3)c2)cc1 858005447 MJXHQHFFCXLYMY-UHFFFAOYSA-N 452.492 1.257 30 10 JDEE C[C@H](OC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)Nc1sc2c(c1C#N)CCC2 914650824 BMENCSVUXBVGEF-YNEHKIRRSA-N 465.553 1.014 30 10 JDEE CCN(CC)c1ccc(C=NNc2nc(Sc3nc4c(=O)n(C)c(=O)n(C)c4[nH]3)n[nH]2)cc1 1084175661 AFDIVLLTNYFOJK-UHFFFAOYSA-N 468.547 1.522 30 10 JDEE CSc1ccccc1NC(=O)CSc1nnc(NN=Cc2c(C)nn(CCO)c2C)n1N 1084432685 IPFJCTPHBNAEIA-UHFFFAOYSA-N 475.604 1.696 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3cc(C(=O)OC)ccc3NC2=O)cc1 1157199542 HYLUBJUWFSEXJM-IBGZPJMESA-N 455.492 1.068 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCC(OC)CC2)CCCC1 1286273680 JVYDMSKEZOGAEL-QZTJIDSGSA-N 466.652 1.770 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1286343158 UOMNSFGQGPKPPX-IBGZPJMESA-N 465.668 1.297 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1286386739 GUMSTSIGLYUOEZ-LJQANCHMSA-N 466.567 1.502 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1ccc(C(N)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1286387922 WRDLHEPBZXJSGX-GOSISDBHSA-N 464.551 1.422 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1286389994 UXCIVMPKCNWNGF-FQEVSTJZSA-N 468.583 1.947 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286390203 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491.639 1.143 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358965415 UYQPKKTYONJLGH-NQIIRXRSSA-N 475.590 1.355 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1358965658 YWIODQPNWMBHEW-OKXSDPAFSA-N 478.615 1.936 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1358965758 ATLROPJNFZOTAC-GOSISDBHSA-N 469.571 1.277 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1358966155 IXUGSUSOVHDJQD-OAQYLSRUSA-N 473.668 1.739 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1358968124 ZUWGSWHSWSCUHS-KSZLIROESA-N 454.593 1.301 30 10 JDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1359037303 DXCGFXXEDQKLDK-UHFFFAOYSA-N 485.639 1.368 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCCO2)CC1 1359041995 NYWXYZDUGHYAMF-IBGZPJMESA-N 471.583 1.493 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@](C)(O)C2CC2)CC1 1359042075 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479.990 1.552 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1588049972 OOPLGVCNQYJAFL-KRWDZBQOSA-N 468.539 1.427 30 10 JDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCNC(=O)c2cccs2)CC1 1588857992 WLNQQFXNLHODQI-UHFFFAOYSA-N 455.613 1.881 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1588864228 AMXCTRAHKIEAAI-XMMPIXPASA-N 451.550 1.942 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1589109555 FMCFXBFCMLIYHK-JKSUJKDBSA-N 458.613 1.883 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1593636550 MTBMPQZOYIBLPN-LJQANCHMSA-N 480.635 1.416 30 10 JDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1593763391 ITHQSRSBMNCNQZ-SFHVURJKSA-N 470.578 1.391 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1595799070 WVSWMVADSZLIDY-IEBWSBKVSA-N 464.592 1.567 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC(CNC(C)=O)CC1 1595805644 RNNKQIKOQGBQSV-UHFFFAOYSA-N 463.579 1.961 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCc2c(ccnc2O)C1 1595824148 XBVITARPTGNXQU-UHFFFAOYSA-N 457.560 1.404 30 10 JDEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)CC1 1622493399 GBCYZFZBLVLPLE-ROUUACIJSA-N 454.614 1.892 30 10 JDEE C=C(Cl)C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C(=O)OCC 1635606232 DXISWIOICBKURY-AWEZNQCLSA-N 450.966 1.502 30 10 JDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CSc2nnc(CN3CCCC3=O)o2)CC1 1643368985 GSGAKUGVIIFKNC-KRWDZBQOSA-N 458.519 1.832 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)c(C)c2)CC1 1673727217 SZBFSLHUNHLLLP-UHFFFAOYSA-N 451.549 1.959 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 1689869045 ZGSZIQYFDBHUFB-SFHVURJKSA-N 458.588 1.739 30 10 JDEE C#CCCCn1c(N2CCCN(CC(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1689941029 HOLDURJPISWCLY-VWLOTQADSA-N 472.634 1.867 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@@H](OCC)C(C)C)[C@H]1CCS(=O)(=O)C1 1689978107 MRNNOHMJNIIONO-RBUKOAKNSA-N 465.620 1.592 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CCNC(=O)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1689980048 KSYSUKJCSQRXRU-IBGZPJMESA-N 457.600 1.941 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(NC(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 1689991292 ZKJXJUYXXKKAMZ-MJGOQNOKSA-N 473.555 1.635 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 1689992885 QPERDDKKPZLZFZ-JOCHJYFZSA-N 471.627 1.988 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)C1 1690245235 GBLWVOKUXFRJGP-GGPKGHCWSA-N 465.620 1.466 30 10 JDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1690480180 BNPXNQBNDBFLAM-UHFFFAOYSA-N 451.531 1.453 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1COCCO1 1690619968 KODXXWBEJFYVOR-QGZVFWFLSA-N 454.531 1.729 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CS(C)(=O)=O)cc1 1690680441 SCGQDLDVTHOXGE-SJLPKXTDSA-N 482.628 1.663 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1690714815 VWRIILIMLYXJPU-DLBZAZTESA-N 460.560 1.674 30 10 JDEE Cc1nnc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)s1 1693445967 DOTJZXYXVTWESJ-UHFFFAOYSA-N 458.573 1.301 30 10 JDEE CC[C@@H](C)NC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1694227638 BSGVTZDJSJUYEK-APWZRJJASA-N 458.588 1.993 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705561103 PZNWLZHAMGJQIA-LJQANCHMSA-N 487.630 1.671 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705568386 MSRIICRJMIQSBI-XXBNENTESA-N 458.584 1.953 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@]2(N3CCOCC3)CCSC2)CC1 1705644385 OZFAOWMHJVSFAT-QHCPKHFHSA-N 460.648 1.575 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)CC2CC2)CC1 1705649221 PMDYTHLMKGSDAM-UHFFFAOYSA-N 456.572 1.131 30 10 JDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705659477 XVZRLMSGGCBYIB-HNNXBMFYSA-N 472.596 1.974 30 10 JDEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705888259 NMUJFVJBTXJZDU-UHFFFAOYSA-N 457.560 1.693 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1705903360 TXJLVDWVUAPBMY-QUCCMNQESA-N 472.615 1.588 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2cccnn2)CC1 1705906621 KSTLURRXXANFOY-UHFFFAOYSA-N 462.558 1.893 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705930857 XSHAHDWTBIXBMQ-JKSUJKDBSA-N 478.550 1.372 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCSC[C@H]1C 1705935809 DGOORMNWFDGLHA-QGZVFWFLSA-N 477.660 1.995 30 10 JDEE C[C@](O)(Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1)c1ccco1 1706897851 HFSGEKPIBWLRRI-IERDGZPVSA-N 457.512 1.578 30 10 JDEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCNS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1722359473 NBUSQRCZYSKREP-IBGZPJMESA-N 493.655 1.419 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722363010 YJLUCDDZRALTDD-LJQANCHMSA-N 484.582 1.761 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722369657 DHRMXQZPWXLMRX-XLIONFOSSA-N 486.516 1.891 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc2C1 1722391233 YHNUMGPEOUYNAB-VQTJNVASSA-N 468.627 1.798 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC)CC1 1722444559 BLGMBLCTLJVRRY-UHFFFAOYSA-N 454.556 1.217 30 10 JDEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722519875 SYNWVIPJQHWQAL-UHFFFAOYSA-N 455.519 1.410 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Nc2cccc(C)c2)CC1 1722690815 MSUIFYHGFKGFGB-KRWDZBQOSA-N 475.619 1.580 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1722723592 ANIXGHBOAFNKOH-DZGCQCFKSA-N 497.419 1.362 30 10 JDEE CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1729926940 BUFJLEMBCAEFRR-QFIPXVFZSA-N 489.598 1.674 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC2(N(C)C)CCOCC2)c1 1740564893 BFHBBACXRZYVGA-UHFFFAOYSA-N 454.575 1.982 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1740625193 ORVHHGKEGDXLHP-GBXCKJPGSA-N 488.610 1.906 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1740626296 WNXFGLAVUUWSLI-JKSBSHDWSA-N 493.655 1.693 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740628349 PRPHIAJGLIVWKP-JXALWOEJSA-N 488.610 1.641 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740628483 YFLFQZURGJARJC-DLBZAZTESA-N 451.593 1.309 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1740629461 NXUNVMCBNMJQEQ-FCEWJHQRSA-N 459.528 1.142 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)N1CCN(CC)CC1 1740681405 KEGPOUXXONEBRP-LJQANCHMSA-N 454.575 1.786 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(OC)cc2OC)CC1 1740698281 CSVVYLRBOBKIJA-UHFFFAOYSA-N 452.559 1.416 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCCN2CCOC2=O)CC1 1740700309 NWUVZFSQDSNEFB-UHFFFAOYSA-N 454.531 1.463 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740709381 FXKBHJFEWRSDHC-SFHVURJKSA-N 490.655 1.984 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[S@](=O)C(C)(C)C)CC1 1740825494 OZQYOYQIOSFHCO-OFJJUDJNSA-N 459.638 1.315 30 10 JDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1740873657 WODAKFUOOJMXMB-FGTMMUONSA-N 491.618 1.771 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CC)C1CC1 1740910153 KQEYEZMUPQNPKR-OALUTQOASA-N 452.625 1.640 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2ncccn2)CC1 1740951255 DRIJRQWRXVVROO-UHFFFAOYSA-N 475.557 1.566 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1740953762 PXLDTOFVODUWAL-OAHLLOKOSA-N 466.464 1.761 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(Cc3cc(C)on3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740966296 XKNCCLIBCJIFMK-QHCPKHFHSA-N 473.578 1.240 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC2(CC1)COC(=O)N2 1740993377 ZHKFNSYTNNQGJM-UHFFFAOYSA-N 459.572 1.857 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1740993423 ALPUKNKTEXWTII-OAQYLSRUSA-N 479.534 1.628 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccn1 1741130959 COJIHLRFLKCEEB-IRXDYDNUSA-N 461.592 1.580 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1748734912 KJRPVSNKSFBSBV-RXVVDRJESA-N 457.600 1.919 30 10 JDEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CCS(=O)(=O)N1CCSCC1 1748798947 MWNPSLIGCDSISG-UHFFFAOYSA-N 463.629 1.922 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748802871 SOMUPGWTVUMOOG-UXHICEINSA-N 472.615 1.346 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1748809442 SKGHSVHDZNROPQ-NVXWUHKLSA-N 478.571 1.633 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1748825465 ZLHYJRGANZKXAQ-GUDVDZBRSA-N 493.630 1.666 30 10 JDEE 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GMXFBMLAEACOSE-UHFFFAOYSA-N 455.377 1.480 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1358881685 KZHCUNOZRLZRSD-FOVZNYCQSA-N 450.499 1.947 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](COC(C)C)C1 1358913417 NSSIOWKLEJPXHW-RBUKOAKNSA-N 469.608 1.045 30 10 JDEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1358935686 QGANZGYUNOORMS-MRXNPFEDSA-N 454.556 1.139 30 10 JDEE C#CCCCn1c(N2CCN(S(=O)(=O)Cc3ccon3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1358936460 NYBAWLVFNQGXCN-QFIPXVFZSA-N 492.602 1.372 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358960596 ICTOMFVFFWNVTI-IFMALSPDSA-N 486.642 1.632 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(F)cc1C)[C@H]1CCS(=O)(=O)C1 1358961489 ABYBHQPVQOXOAT-OALUTQOASA-N 459.547 1.546 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358965138 OOPAGCSMMGCZHS-GOSISDBHSA-N 475.590 1.940 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1358965518 WPBKBXHSEIYYIM-SJLPKXTDSA-N 497.668 1.085 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1358996049 PTFDOXXJGCWVHP-UHFFFAOYSA-N 460.563 1.657 30 10 JDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CC(=O)N(CCOC)C1 1359002204 RJLYOQGOZWLRCO-GOSISDBHSA-N 487.630 1.501 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1359044267 ATWCDOQZERTENN-LEWJYISDSA-N 496.587 1.621 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(OC)CCC(C)CC2)CC1 1359045406 GDFJJHQBLLNHRD-WLBKGHODSA-N 491.658 1.741 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1359049561 RVKVHOMUBFHHFP-VQIMIIECSA-N 474.612 1.704 30 10 JDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C)C(=O)[C@@H]1C 1359054840 JSENBDFCCUQBIC-HNNXBMFYSA-N 461.617 1.272 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1359089434 IXOCRSFLUDKCCR-HBFSDRIKSA-N 473.622 1.187 30 10 JDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccnc(C)n2)CC1 1359221971 VCIOBCRLYJPAQS-UHFFFAOYSA-N 463.546 1.943 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1359305281 YIDQKRJLVYTUTO-UHFFFAOYSA-N 482.520 1.424 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(Cl)c1 1359473396 BJMWCOFUFHLNNO-QAPCUYQASA-N 482.994 1.939 30 10 JDEE C[C@@H]1OCC[C@@]1(O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1494134955 BUEBFZLKGYPBCQ-SAHWJRBASA-N 454.579 1.783 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCCC1=O 1507515110 GAAPGZVYDVFBCR-DLBZAZTESA-N 458.588 1.517 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Br)n1 1507538603 NTNGUBNMVWMGHS-ZFWWWQNUSA-N 483.392 1.275 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1507562833 ACPAACKTDLACFQ-DLBZAZTESA-N 492.568 1.487 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1507562928 BIYKQVFLQLQVJF-ICSRJNTNSA-N 475.619 1.662 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1507589453 XEUQTBRJZDHOEK-KRWDZBQOSA-N 454.618 1.531 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCSc1ccccc1)[C@H]1CCS(=O)(=O)C1 1507623094 QXIAMPOTNNTMGM-SFHVURJKSA-N 473.624 1.933 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CC[C@@H](F)C1)[C@H]1CCS(=O)(=O)C1 1507626005 MFFVOFBEFNBHRW-WIRSXHRWSA-N 454.568 1.695 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1507633045 AGDIMKBIRDZPKS-NRFANRHFSA-N 470.599 1.149 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C)Oc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1507639075 JDMDMNBWXGNMQR-VQTJNVASSA-N 485.610 1.803 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N1CCOCC1 1507670139 YCPQNLASWJUQMC-FQEVSTJZSA-N 484.601 1.714 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCN2CCCO)CC1 1507739930 LXCZVCBQYVRMDJ-QFIPXVFZSA-N 465.602 1.077 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccc(OCC)n2)CC1 1507791199 JAIJHXQKHPZGFQ-ICSRJNTNSA-N 484.605 1.913 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(OC)c2OC)CC1 1507885178 UIHYGARUHPFOGS-LJQANCHMSA-N 477.587 1.833 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCOC1 1507997261 QDJCLHDNJCKRFC-HRAATJIYSA-N 460.560 1.104 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1508089881 KVUBZCRWQVZWPW-FQEVSTJZSA-N 454.575 1.947 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 1508123738 JPPJGXWEJGTBCG-MSOLQXFVSA-N 481.619 1.828 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCS(=O)(=O)CC)C1 1508125922 SEIFHOPZIIKFRN-LJQANCHMSA-N 475.619 1.668 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCCNC(=O)C2CCC2)CC1 1508281176 WUFLGGKCMNPPBU-UHFFFAOYSA-N 492.628 1.723 30 10 JDEE Cc1nn(C)c(C)c1CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1511644167 FWAGNIDBUYSTDM-UHFFFAOYSA-N 491.600 1.490 30 10 JDEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1517761167 FZXZLHRTLMBHTP-OALUTQOASA-N 451.575 1.985 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1539052632 HMKIMYAIGKNLNQ-KRWDZBQOSA-N 473.603 1.117 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCC(C)CC1 1539369985 QUQZJMSENIXLRE-WBTXTPOCSA-N 453.609 1.666 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N1CCOCC1 1539371159 PKDYLUGLWALGKN-SFHVURJKSA-N 476.578 1.295 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1539447406 RSEROYPWDKRWNE-ZWKOTPCHSA-N 480.635 1.191 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1539474032 HVHORZRPVNJLQF-KRWDZBQOSA-N 469.977 1.874 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2cccc(F)c2)CC1 1539488061 FVUAJQBBLPSRIV-UHFFFAOYSA-N 452.534 1.748 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1539525740 BKVWJZIDJKALII-QGZVFWFLSA-N 471.583 1.838 30 10 JDEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539586251 KUFUCLHSXGRNQK-UHFFFAOYSA-N 460.336 1.176 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(CCC)C1 1539669373 PHVRKWXVRQGMFM-RTBURBONSA-N 454.641 1.745 30 10 JDEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(S(C)(=O)=O)CC1 1540164196 JOFUDFUXZRSXQL-UHFFFAOYSA-N 464.617 1.994 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1540858183 LINXXIWVNHDWNC-SFHVURJKSA-N 468.530 1.402 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1540871050 CBNDXAYZZQHMOT-SJLPKXTDSA-N 463.535 1.199 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](CNC(C)=O)C2)cc1 1540877766 FGEAYTDSHQKUPY-PMACEKPBSA-N 454.531 1.184 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCOC[C@H](C2CCC2)C1 1540897328 GYJKWTNVKNEVCO-GOSISDBHSA-N 474.587 1.779 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)OC[C@@H]2C1 1540898905 YIPMXHYZVPGCND-HOTGVXAUSA-N 479.534 1.799 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2CCOC[C@H]2C1 1540899852 CETSOOYMKZJYAM-QGZVFWFLSA-N 482.006 1.729 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2nccs2)C1 1540903967 HYHSVWVJLMTBQE-QGZVFWFLSA-N 460.585 1.899 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)OC)CC1 1540904550 NTAOWFVBJKVZMS-UHFFFAOYSA-N 453.590 1.624 30 10 JDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1541284352 ADLSKAXHEJFTTN-UHFFFAOYSA-N 461.530 1.176 30 10 JDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C[C@]2(CCCOC2)O1 1544754093 CFUUWLZFVWUALL-VGSWGCGISA-N 474.587 1.482 30 10 JDEE CCNC(=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)CCC1 1547754706 GFQLPSGGEUALEK-IBGZPJMESA-N 470.599 1.995 30 10 JDEE CNC(=O)CNC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1 1586048734 BWIKZHHYQHRTBU-OAHLLOKOSA-N 453.886 1.679 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1587862680 ZNWRSAZWILGIJH-ROUUACIJSA-N 491.618 1.915 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588025347 XESMRNIDNSNWBM-NRFANRHFSA-N 490.674 1.797 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCC)c1 1588229291 SPNKXKUYZCVYOI-HXUWFJFHSA-N 453.568 1.441 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[C@@H]2COCCO2)CC1 1588813174 WDYXINRTOXVGKN-OAQYLSRUSA-N 488.633 1.953 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 1588968935 SJILVTUYDGKLDB-QHCPKHFHSA-N 480.613 1.681 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1595640174 UHTWNSGAAVFOSG-FQEVSTJZSA-N 495.584 1.796 30 10 JDEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1615413437 CMVTWWWVCTZCPI-HXUWFJFHSA-N 499.641 1.242 30 10 JDEE C=CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)CC1 1616330970 NOIOCPQHKQJVTE-UHFFFAOYSA-N 451.589 1.871 30 10 JDEE CCOc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1616472976 DWRUTODWYKRMEX-RTWAWAEBSA-N 479.534 1.247 30 10 JDEE CNS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1618845380 AZIMAWFBLKBWNM-HXUWFJFHSA-N 467.555 1.263 30 10 JDEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](NC(C)=O)C2)CC1=O 1619927336 DWSIVSFVUMABEJ-CTNGQTDRSA-N 465.558 1.417 30 10 JDEE Cc1cc(C(=O)NC2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)c(C)o1 1627741485 CDAHOMPEVLMZFR-OAHLLOKOSA-N 458.540 1.856 30 10 JDEE Cc1cccc([C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)N2CCOCC2)c1 1629917577 DKZUBKZZAFZDDC-GCJKJVERSA-N 456.568 1.723 30 10 JDEE Cc1nn(C)c(N2CCN(C(=O)NCc3cccc(N4CCCS4(=O)=O)c3)CC2)c1C#N 1671399252 GQDDOHXCKQKDTR-UHFFFAOYSA-N 457.560 1.172 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)CN1CCOCC1 1689847335 XOTPWRVBHOFTFF-QZTJIDSGSA-N 459.620 1.664 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N2CCOCC2)CC(OCC)C1 1689950984 IOKGYUVLLFXGKP-UHFFFAOYSA-N 487.626 1.688 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1689977656 ACQLLAOPHNOQRU-KRWDZBQOSA-N 482.010 1.373 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1689977699 AUDXRRYIOLMRKY-ZBFHGGJFSA-N 464.617 1.612 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689982268 KEGNQAHKZWCRHS-WZONZLPQSA-N 495.646 1.108 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1OCC=C)[C@@H]1CCS(=O)(=O)C1 1689987694 ARNOUDRKXCBFET-HXUWFJFHSA-N 466.567 1.918 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN1CCCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689989563 GSILRMKCAVIGTR-PWRODBHTSA-N 479.647 1.300 30 10 JDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCNS(=O)(=O)c1ccccc1 1690015282 GZQWYLUBNOEULO-UHFFFAOYSA-N 466.523 1.057 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCOC 1690046282 ACRMPSITZYBJDM-IBGZPJMESA-N 457.556 1.112 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCNC(=O)OC(C)(C)C)CC1 1690137151 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C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1705931384 OEQFWAVMCKGMKA-RBUKOAKNSA-N 454.556 1.665 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C(F)(F)F)C1 1705934462 NILXDPUKYMQXDZ-OAHLLOKOSA-N 498.487 1.962 30 10 JDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705948819 FZUXQPMILFGMDV-HNNXBMFYSA-N 484.673 1.659 30 10 JDEE CO[C@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1712100155 CNHGDXHRQJKNNA-QUCCMNQESA-N 454.531 1.482 30 10 JDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)CCO1 1712303551 HXHRZKHUSLDIOG-LJQANCHMSA-N 475.571 1.405 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722361127 LJRHVECYWPFVRJ-SBHAEUEKSA-N 473.647 1.673 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1722364204 FDPBVKKQBTWFQF-SFHVURJKSA-N 471.612 1.683 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1722365057 BTUNUERKZZZVRS-QINHECLXSA-N 450.586 1.378 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1722365727 PGAZOMYELBWHMT-AWEZNQCLSA-N 483.392 1.141 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CCCCC1)N(C)C 1722414161 WPPFYRUUNZRJCM-VQTJNVASSA-N 466.652 1.581 30 10 JDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCOC)CC1 1722532556 PNNBEVXDWIILDR-UHFFFAOYSA-N 453.547 1.955 30 10 JDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1722621343 YTHPRNGINIDZDR-RTBURBONSA-N 455.563 1.675 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1F 1722681761 RWDXDSFBQGQRPK-GOSISDBHSA-N 471.530 1.576 30 10 JDEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722688100 LQLBHJYIEIMAIM-UHFFFAOYSA-N 482.570 1.468 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2c2cc(NC)ncn2)C1 1722709698 WGTRZJLJXLDMCC-QZTJIDSGSA-N 469.594 1.698 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1722748900 CTFXHVUPXPRMSN-OALUTQOASA-N 459.572 1.802 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1722751184 QTTKCZZOOIITRG-UHFFFAOYSA-N 464.555 1.534 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccc(F)cc2)n1CC(=O)NCC(F)F 1726641253 CHTHDMZRARCLHM-OAHLLOKOSA-N 499.501 1.766 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CCO[C@H]2C)c1 1740565539 WHVNYQGUNHVEFC-DOPDFTPFSA-N 483.569 1.598 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1740617325 PMIWCZBKDQGZEG-LAUBAEHRSA-N 454.593 1.230 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1740621423 XHCLHMNGPVXSAP-IERDGZPVSA-N 481.981 1.431 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(C)cc1OC)[C@H]1CCS(=O)(=O)C1 1740625708 SICHGBCUHYYBGH-IBGZPJMESA-N 471.583 1.393 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@@](=O)C(C)(C)C 1740637968 FPHNOVCNZOLZCR-WJOKGBTCSA-N 460.629 1.858 30 10 JDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740662390 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CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1CO 2267488308 TVSAIDISOPFNPQ-KGLIPLIRSA-N 467.397 1.790 30 10 JDEE C[C@H](C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)N1CC(NC(=O)OC(C)(C)C)C1 2268718946 WLZZPGXTUYSNHT-CYBMUJFWSA-N 466.413 1.656 30 10 JDEE CC(C)(C)OC(=O)NCC(CO)(CO)NC(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2281790115 HOZQLHLTCUNQQE-UHFFFAOYSA-N 468.331 1.103 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@H]32)n1 2281955292 JSYWWGOIKIGBAS-ZNMIVQPWSA-N 461.372 1.632 30 10 JDEE Cc1csc(C(=O)NC[C@@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282007705 DXXKNKAKCCLWHG-IJEWVQPXSA-N 482.408 1.427 30 10 JDEE CC(C)(C)OC(=O)NCC1(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCOCC1 2282027052 LLUDIDRSVMORRT-UHFFFAOYSA-N 462.356 1.580 30 10 JDEE CCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2282173269 HDFOGGUVCJPWGK-OAHLLOKOSA-N 463.388 1.976 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282184786 XWPPBJUXNUPFBJ-FGTMMUONSA-N 462.352 1.057 30 10 JDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282318420 FOJVQNRKSBBGHL-ZIAGYGMSSA-N 485.416 1.133 30 10 JDEE C[C@@H]1[C@@H](C)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCN1C(=O)OC(C)(C)C 2282332117 WOOAHAMIUWSCJR-HUUCEWRRSA-N 484.428 1.738 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2CN(Cc3ccccc3)CC2(C)C)n1 2282503373 ZBPBSKNOIKSOCH-IBGZPJMESA-N 474.436 1.908 30 10 JDEE Cc1c(C(=O)N=c2nc(CNC(=O)OC(C)(C)C)[nH]s2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282581030 BIOMIDDESVRITC-UHFFFAOYSA-N 478.384 1.578 30 10 JDEE Cc1nn(C)c(C(=O)NC[C@H](F)C2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282586390 YBRMMLKZCBLYJJ-HNNXBMFYSA-N 466.363 1.963 30 10 JDEE C[C@H]1CCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2282833064 UOYVHPGUTSHZFI-HNNXBMFYSA-N 484.428 1.739 30 10 JDEE 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1.529 30 10 JDEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(NN=Cc3cc([N+](=O)[O-])ccc3O)n2N)c1 1084426401 KLXKKXAAQXYKJX-UHFFFAOYSA-N 485.486 1.741 30 10 JDEE C=CCN(C(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1)[C@H](Cc1ccccc1)C(=O)OCC 1138238811 IEOKWDYFVZVFGZ-MRXNPFEDSA-N 453.499 1.484 30 10 JDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc2c(c1)COC2)[C@H]1CCS(=O)(=O)C1 1286385980 RWAJAWCFDJCFBG-UTKZUKDTSA-N 474.583 1.707 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1286393586 FILBRQSNWZKCSX-VGSWGCGISA-N 462.572 1.653 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286397076 RJFBBWUBOHZFOO-AZUAARDMSA-N 459.620 1.251 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)c1cccc(O)c1 1286419299 REFZZQGPHJKZDJ-UHFFFAOYSA-N 471.521 1.914 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)C(=O)NC)CC1 1286472600 JYAKRILOBPZGLK-UHFFFAOYSA-N 462.396 1.574 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCC(=C)C)CC1 1286481960 ZADBCHMFSNPHIJ-HXUWFJFHSA-N 474.606 1.934 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN(C)c2ccccc2)CC1 1286492490 GVJIJIYWGQZPGO-OAQYLSRUSA-N 498.653 1.673 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)CC(F)(F)F 1286581628 MKRUNIZNMBMWQG-OAHLLOKOSA-N 468.546 1.508 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2nc(CC)ns2)CC1 1286619978 FEYTYWKJWPESLB-ZDUSSCGKSA-N 475.044 1.771 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2noc(C)n2)CC1 1286666734 DZMGTSHXQLAOEY-INIZCTEOSA-N 480.639 1.894 30 10 JDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1286769184 WHBDXPPARIYMQC-HZPDHXFCSA-N 454.622 1.646 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286784762 SNRXCMHEWCHHJY-UHFFFAOYSA-N 450.540 1.247 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286817887 QABOSZFHJYAONH-MAUKXSAKSA-N 486.591 1.781 30 10 JDEE C#CC[C@@H](NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1)C(=O)OC 1299178673 IJABRPMFZOTHGA-IAGOWNOFSA-N 456.524 1.404 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCNS(=O)(=O)CC)c1 1300334267 JOBOIGURZFLLNA-GOSISDBHSA-N 474.587 1.168 30 10 JDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1300371570 VEFHYDJOOADZKS-UHFFFAOYSA-N 466.590 1.584 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1300408897 CZLCYKVCBDDXKM-GOSISDBHSA-N 493.659 1.424 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300483223 JIZNSYCSYDEVCM-QTEQDKRBSA-N 479.647 1.286 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300483444 LQICNCKQNHGVJD-JUXOCIIHSA-N 465.620 1.040 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCOC[C@@H]2OC)CC1 1300718642 CKDFBQOOKPWHQQ-KNQAVFIVSA-N 467.570 1.971 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cscn1 1300764280 VTHFOHCFWQSGRK-OAHLLOKOSA-N 456.619 1.070 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)C)CC1 1300886030 VBVXFFZFBFOBLT-NJYVYQBISA-N 496.678 1.513 30 10 JDEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1 1301008941 DSFNQBQCWUXDAT-NQIIRXRSSA-N 460.535 1.766 30 10 JDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1301467129 JQPZTDRDBKDBML-UHFFFAOYSA-N 494.644 1.002 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1301499710 DSRVTBQCGKDLFX-NHCUHLMSSA-N 475.638 1.053 30 10 JDEE CCOCc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cc1 1314290083 BYALGTLVTMBUKL-YLJYHZDGSA-N 476.603 1.792 30 10 JDEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)C)C1 1314992331 BRGFXTQEEHCACP-GOSISDBHSA-N 453.547 1.463 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CC1(N2CCOCC2)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1358955372 KRLZGEHCSXCRTK-HDJSMCDHSA-N 493.674 1.472 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1358956485 GLGMHMHZUCKMPR-HFMPRLQTSA-N 493.674 1.677 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(-c2ccccc2)no1 1359240497 PSYGKMOYNLQAIF-IBGZPJMESA-N 458.544 1.937 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCS(=O)(=O)CC1)C(C)C 1359265851 NBGHBDYOEXLPLK-IBGZPJMESA-N 490.630 1.939 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359302752 SDJOJRVOPAMMGS-UHFFFAOYSA-N 454.575 1.874 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1359303781 AMKBEFQFFGZOCS-KRWDZBQOSA-N 456.576 1.785 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCc1ccncc1 1360703641 BLJQJYHEWNSQLP-QGZVFWFLSA-N 498.588 1.863 30 10 JDEE C#C[C@@H]1COCCN1C(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1 1451189665 CZLTWTDHHWBTPZ-MOPGFXCFSA-N 454.552 1.973 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1507631309 NXGKLYREHGUENI-PXNSSMCTSA-N 498.609 1.490 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1507632503 MGYYNZFGQYMBMG-GJZGRUSLSA-N 450.590 1.609 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCC(=O)N(C)C)CC1 1507721829 UKOKPPDIPFIBSE-UHFFFAOYSA-N 475.391 1.950 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)C(=O)NC)CC1 1507730868 XAXBGNDFMVUZBX-SFHVURJKSA-N 489.621 1.114 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)C(=O)NC)CC1 1507735614 ZOEFMIPOFOBMPZ-UHFFFAOYSA-N 480.569 1.454 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1507740941 QYUBIPJHJHLWAY-UQBPGWFLSA-N 467.570 1.671 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1507745420 CAWCBSCPRQFPKD-JKSUJKDBSA-N 486.664 1.606 30 10 JDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1507775796 WRNDULCEIOLFRX-SFHVURJKSA-N 481.376 1.849 30 10 JDEE C=C(Br)Cn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1507792220 XQIBXVWRMHVZKC-LPHOPBHVSA-N 456.385 1.748 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(=O)(=O)CC)CC1 1507795538 DQUOCBGPPFZPNF-AOIWGVFYSA-N 486.660 1.565 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccnc1C 1507820944 QHJVIJCEUKKAGT-SFHVURJKSA-N 451.597 1.609 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNC(=O)c2ccccc2F)CC1 1507896429 JHKHNCWAJBEPPV-OAHLLOKOSA-N 464.567 1.860 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1c(C)nc2ccccc21 1507980415 GQZCDGAONMEHAO-LJQANCHMSA-N 459.576 1.592 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)cc1 1508100847 PNJCFQMWTPNJCP-MSOLQXFVSA-N 480.612 1.417 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCc2c(ccnc2N(C)C)C1 1508137905 SSBDKAQMWYHKOV-UHFFFAOYSA-N 455.588 1.908 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1508145151 JNLLHMQUIBPFQP-SFHVURJKSA-N 463.585 1.289 30 10 JDEE CCn1cc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cn1 1515772109 HFWNSLHBBKIEPB-IBGZPJMESA-N 498.613 1.863 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1517624252 BRZBVNIPAHOEDU-UHFFFAOYSA-N 468.587 1.788 30 10 JDEE C=CCOc1ccc(/C=C\C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1OC 1521997914 JEYFZNIJKDPKKR-GXVATQTDSA-N 450.557 1.926 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(C(F)(F)F)CC1 1539071535 BCVWONJVXMRNCS-OAHLLOKOSA-N 479.525 1.308 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(OCc2ccccc2)c1 1539179827 SBXIPKUDAZUQSQ-OAQYLSRUSA-N 496.593 1.703 30 10 JDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1539273420 RKHIDVAUONAQIW-JOCHJYFZSA-N 459.598 1.684 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCN(C)CC(F)(F)F)CC1 1539476950 HVZPLVTUDCXOLK-UHFFFAOYSA-N 466.512 1.529 30 10 JDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1539499123 DXCLUCOZIQAFBZ-SFHVURJKSA-N 463.611 1.972 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539533309 OHENSWLNAFSQNR-GBAJDQEWSA-N 490.674 1.357 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1539966341 ISDDBXDQUAZGPB-GOSISDBHSA-N 472.619 1.777 30 10 JDEE CC(C)N1CCC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1541621786 FUVPCSKEFUZMIN-JTAQYXEDSA-N 493.678 1.861 30 10 JDEE C[C@@]1(C#N)CCCN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1541991457 AHKBXQUWMWCZLB-SFTDATJTSA-N 463.535 1.676 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1545877373 AONHWTAAYCTKNQ-LJQANCHMSA-N 487.627 1.017 30 10 JDEE N#Cc1ccc(N2C[C@@H](CO)C3(CCN(C(=O)CN4CCOCC4)CC3)C2)cc1C(F)(F)F 1548412875 TYIBCHBLWXGGRL-SFHVURJKSA-N 466.504 1.947 30 10 JDEE C=CCOc1cc(OC)ccc1C(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1557595507 VGBFANPKUISLHZ-UHFFFAOYSA-N 459.568 1.996 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)s1 1585697637 DUFREIRJMLUAFG-YPMHNXCESA-N 453.508 1.670 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1587567975 LVIRGXJMSWPITP-DOTOQJQBSA-N 493.659 1.286 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCC(=O)N2CCOCC2)c1 1587697820 YJYWZNXIQYUPOY-UHFFFAOYSA-N 450.543 1.536 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588049506 HLGSIWYVICVFRB-IBGZPJMESA-N 473.599 1.861 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588069006 FBTGNVGNEYQBMN-TZIWHRDSSA-N 469.567 1.780 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(C(N)=O)c1 1588138262 BHTZXRPMEGJWCB-UHFFFAOYSA-N 454.538 1.672 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC[C@]2(CCOC2)O1 1588194519 WUVRJBYVAIDKIT-PXDATVDWSA-N 497.621 1.996 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC(F)(F)CO2)CC1 1588864558 FYOQBRVBRFXSEF-HNNXBMFYSA-N 450.515 1.449 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)C(C)(C)C)CC1 1588968049 GFYOROUNIREPOS-QGZVFWFLSA-N 451.593 1.309 30 10 JDEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1594687152 GRDYOKUSJRBBDC-UHFFFAOYSA-N 498.584 1.864 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1594962130 ITRSHXLXDZQTPS-SFTDATJTSA-N 490.630 1.134 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@H]1OC 1595290195 BQWZQRRSRXKPMM-YLJYHZDGSA-N 468.558 1.882 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1595501300 PCLZTGVSAJWJHN-INIZCTEOSA-N 450.565 1.257 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1595688709 MYTOJZJUQHGSSG-VGSWGCGISA-N 478.571 1.293 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1595737580 DEFVCVLUMCJYCY-FQEVSTJZSA-N 468.583 1.935 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC(c3ccnn3C)CC2)nnc1[C@@]1(OCC)CCOC1 1595830533 CZJGDVUYNKOYEO-JOCHJYFZSA-N 478.619 1.649 30 10 JDEE CCN1CCN([C@@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1615842473 FEFWHSSUFWHWFC-UGKGYDQZSA-N 485.658 1.714 30 10 JDEE CC(=O)Nc1ncc(S(=O)(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)s1 1664911722 FDSVRBYGSXOFRZ-UHFFFAOYSA-N 457.541 1.874 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1S(C)(=O)=O 1689852940 MVOXVRKBZCULPW-RCCFBDPRSA-N 496.634 1.468 30 10 JDEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1689939934 HJZHXFQNVGXKGQ-UHFFFAOYSA-N 496.637 1.800 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(Cl)cc1 1689966168 MEEXDDDCFYBYLB-KRWDZBQOSA-N 453.952 1.413 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1c(F)cc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1689977658 AEBUGPRXNXNHNV-CYBMUJFWSA-N 499.490 1.746 30 10 JDEE C#CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=C)C)[C@@H]1CCS(=O)(=O)C1 1689988830 WVGJNJLXUITXNX-MRXNPFEDSA-N 462.601 1.441 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1689998185 DVVBQRXFLMSJBQ-WEMPKCCASA-N 497.687 1.066 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1690129448 XMVWLBBBTFYXDD-HXUWFJFHSA-N 459.545 1.375 30 10 JDEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1690177502 XOMSFFAOFDHLLG-UHFFFAOYSA-N 462.570 1.772 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1690659502 VGMPFZLFHRWGLQ-DEOSSOPVSA-N 461.526 1.980 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1690666771 GBCWOTOMQJYASQ-MRXNPFEDSA-N 454.531 1.669 30 10 JDEE COc1ccncc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1697632483 FCILCBYZYZCPFE-OAQYLSRUSA-N 497.581 1.571 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(OCC(=O)N(C)C)c1 1705474571 JLPUTXYMRUQJNF-KRWDZBQOSA-N 461.526 1.899 30 10 JDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1705531663 RLIZIJDYLTVJSV-ZDUSSCGKSA-N 452.437 1.924 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(=O)N(C)C)CC1 1705651294 QVTFVHAGWXLTJG-UHFFFAOYSA-N 452.559 1.528 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2scnc2C)CC1 1705652596 GHXIACKHVHJRAY-ICSRJNTNSA-N 472.615 1.976 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(C)C)CC1 1705662267 UWCSYNKSYNHIKO-SFHVURJKSA-N 455.650 1.850 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(N3CCCC3)CCOCC2)CC1 1705781102 PLLVVLCPFQGKIV-SFHVURJKSA-N 466.652 1.936 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(F)(F)F)cs1 1705843539 IADSAKXHVFISDK-NSHDSACASA-N 466.511 1.757 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@](O)(c3cccc(F)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705908430 PHXRKCZTPYNXOP-DNQXCXABSA-N 473.549 1.858 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)C1 1706155958 AKZDSPBQRURKQL-KZNAEPCWSA-N 494.618 1.556 30 10 JDEE C[C@@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 1708243566 BEQSPRBSGKBHGH-DBXWQHBBSA-N 472.615 1.939 30 10 JDEE C[S@@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 1712714625 BFFYVVBIDRDSCA-HYJWCJBQSA-N 456.572 1.732 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H](C)N2CCOCC2)c1 1722308460 AOFYLFUOBHSGMJ-CTNGQTDRSA-N 466.586 1.949 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722359815 WCFWFTMLRVQHCK-GOSISDBHSA-N 465.620 1.782 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(SC)CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 1722360713 JDSXNBNLRXBYKC-KRWDZBQOSA-N 462.645 1.727 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CC=CCO2)CC1 1722437451 MWMHYWZRIVZVJU-UXHICEINSA-N 472.590 1.687 30 10 JDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722533999 FOUOOWZOGIGMBJ-HXUWFJFHSA-N 453.547 1.451 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1722554749 HEIZCMVFAWIGIK-MRXNPFEDSA-N 465.963 1.601 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1722695223 XIKQRYMNFMZEKT-FQEVSTJZSA-N 451.531 1.666 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C)C1 1722728484 VEUIBJWVDZRVCX-MRXNPFEDSA-N 472.571 1.501 30 10 JDEE CCCNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)C1 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C=C(C)COc1cccc(NC(=O)C(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)c1 524398927 PECDNSHDYWNKMS-UHFFFAOYSA-N 472.567 1.837 30 10 JDEE N#Cc1ccc(C(=O)N2CCN(c3ccc(N4CCN(C[C@H]5CCCO5)CC4)nn3)CC2)cc1 585473763 DSCOFNWBWOGLKZ-JOCHJYFZSA-N 461.570 1.612 30 10 JDEE C=CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1C(=O)NC[C@H]1C(=O)O 757541075 HSPLRNRFDVHWQC-GIVPXCGWSA-N 463.490 1.785 30 10 JDEE NC(=O)CSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cccc(O)c3)n2)s1 1084559340 JQOLTEPOBRFECL-UHFFFAOYSA-N 465.546 1.116 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Br)nc(Br)c2)CC1 1144029027 WYTBAGMCTZTQIN-UHFFFAOYSA-N 458.154 1.504 30 10 JDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N3Cc4cccc(C#N)c4C3)ccc2F)CC1 1277900666 FRMSZWJPVSBDQZ-UHFFFAOYSA-N 456.499 1.706 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCN2CCOCC2(C)C)c1 1286309159 HQXZUFBKQHRQLI-HXUWFJFHSA-N 479.585 1.396 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1286385943 RMOCEDUZGBWPQW-LPHOPBHVSA-N 450.536 1.816 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1286388123 LGGDCCJDQREUEL-CVEARBPZSA-N 468.938 1.780 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(SC)CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 1286389382 IYORQGSNIDCCSR-KRWDZBQOSA-N 475.644 1.189 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286391404 IARBCGAUMFPDCN-LJQANCHMSA-N 471.583 1.393 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1C1CC1 1286431285 NRMLRXXRZBXGHE-RTWAWAEBSA-N 474.631 1.091 30 10 JDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCNS(=O)(=O)c1ccc(C)s1 1286435881 MHCNHEAPKQRBIZ-UHFFFAOYSA-N 473.584 1.733 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1286437169 BDNXALVTRGWUGP-QHCPKHFHSA-N 470.599 1.666 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1286492467 GHAMZNKJKKXYDD-DNVFCKCGSA-N 477.631 1.494 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 1286492980 RYUBRMIPMXTOBO-DEOSSOPVSA-N 480.594 1.563 30 10 JDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286503736 DYRGNSKUVQMBNF-UHFFFAOYSA-N 467.599 1.286 30 10 JDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1286506896 PKEVHXOAIVZFJU-ROUUACIJSA-N 455.650 1.646 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(C)C)C1 1286508072 FOCLJXXYQKSAEA-MSOLQXFVSA-N 455.650 1.850 30 10 JDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1286706334 MXYRGADFMLUCEC-OXQOHEQNSA-N 457.597 1.255 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1286779536 VKNXCALPLCQOQQ-UHFFFAOYSA-N 468.558 1.873 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1286788219 SDYQJXWAZOCQNG-RDJZCZTQSA-N 494.522 1.910 30 10 JDEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)O)C[C@H]2C)CC1 1286887552 SKHNGMTUPIUKOA-UTKZUKDTSA-N 451.575 1.576 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300484495 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10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1539476926 HPTYWJJRBHKIQC-QGZVFWFLSA-N 454.497 1.384 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCO[C@H]1C 1540119150 ASGIENRIPFWTHL-HOIFWPIMSA-N 474.587 1.492 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCN1CCOCC1 1540864390 YIFBBEAJYWGKSY-UHFFFAOYSA-N 466.384 1.117 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC(C)(C)C1 1540871333 JIFNXFQGFPQZKA-MRXNPFEDSA-N 464.567 1.504 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nccn2C(F)F)C1 1540892704 QOLNTRPYDGYUDP-CABCVRRESA-N 487.533 1.032 30 10 JDEE Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2cccc(C#N)c2)n(C)n1 1542999631 HHBMUAMHGYNYIY-HXUWFJFHSA-N 484.586 1.209 30 10 JDEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1547628530 GCRSZAONFIAADW-INIZCTEOSA-N 473.463 1.981 30 10 JDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)C[C@H](C)O1 1555385033 AYHLGCSXLHCDHG-QFBILLFUSA-N 459.572 1.882 30 10 JDEE C#CCCCn1c(N2CCN(CC(=O)N3CCCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1587893784 ICEXZURJYYJSLT-DEOSSOPVSA-N 458.607 1.478 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1588024454 DFHYVEAIJHTCSI-SFHVURJKSA-N 457.556 1.198 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1588041614 YNHRNUHWKKGIMX-KRWDZBQOSA-N 484.582 1.679 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCCOC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1588045271 IRGJTRQCXJGADM-RBUKOAKNSA-N 461.588 1.496 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1snnc1C 1588140154 ULLBWBWJXLAGTP-INIZCTEOSA-N 457.560 1.868 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1NC(=O)CC1(C)C 1588398941 KTJKXIOVRHLWLV-IRXDYDNUSA-N 460.579 1.961 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C)o3)n2C[C@@]2(O)CCN(C)C2)n1 1588723296 KNPCHYMPDYXYPQ-HSZRJFAPSA-N 453.547 1.396 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1588954621 IYQSBCPYFLWZDG-LJQANCHMSA-N 483.642 1.858 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CC(=O)NC(C)C)CC1 1588962107 UQZVASJCLLMXMM-UHFFFAOYSA-N 450.587 1.944 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1589069902 OQYCZLUKFXQQCY-DLBZAZTESA-N 453.634 1.288 30 10 JDEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1589406236 VQZNITLXOLXRLE-ZIAGYGMSSA-N 453.341 1.901 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1589528047 CKTNBZYVFAGVJM-LPHOPBHVSA-N 461.592 1.624 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1594625539 GTIAYLVIAUBTBI-LVCYWYKZSA-N 469.608 1.352 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)NCCC)c1 1594963760 WZTNMWLIXIGYKJ-IBGZPJMESA-N 476.603 1.421 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1595884574 NPHRMNLKAUKYOS-MLHJIOFPSA-N 471.649 1.249 30 10 JDEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](NC(C)=O)C2)CC1=O 1619927337 DWSIVSFVUMABEJ-FPOVZHCZSA-N 465.558 1.417 30 10 JDEE C[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(N2CCCNC2=O)cc1 1625261830 AWGIJJNMRYZOKV-OAHLLOKOSA-N 455.540 1.912 30 10 JDEE CCCc1c(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cnn1-c1cccc(C#N)c1 1625514553 GPWIKHNLCRVEDC-WMZOPIPTSA-N 455.540 1.671 30 10 JDEE C=C(C)C[C@H](NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)C(=O)OCC 1633296918 KHSDTLYTSWKVOS-KRWDZBQOSA-N 450.561 1.770 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1689985890 DSNPNAZFKGGRHF-GOSISDBHSA-N 452.540 1.308 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689986503 RFJVGXCAXOLFMV-IEBWSBKVSA-N 455.584 1.795 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1689998647 SDPNSDGJJOPPOQ-KZNAEPCWSA-N 461.592 1.115 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CC=CCC1 1690037062 KSJQKOOGVZFXEV-UHFFFAOYSA-N 466.611 1.920 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1690092492 KTISEFYFULWCBP-QHCPKHFHSA-N 480.613 1.982 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCN2CCC(O)CC2)CC1 1690114932 LYCOKNMYUTYVAQ-UHFFFAOYSA-N 476.423 1.638 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1690129407 WGYIVGRMNPOKHP-FQEVSTJZSA-N 459.545 1.375 30 10 JDEE C=C(Cl)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690337178 GOBOTTITZSYWHZ-ZDUSSCGKSA-N 495.765 1.616 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C)C(=O)C1 1690662191 UEMPEBKAUPABAY-UHFFFAOYSA-N 451.300 1.427 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1690674767 DUGPZTVAFFOOLA-KSFYIVLOSA-N 474.587 1.346 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690677538 ZLTPCVTWPKGMIM-QHCPKHFHSA-N 460.579 1.070 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1690720023 YDPRVAZNUFMULM-MRXNPFEDSA-N 477.587 1.620 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1cccs1 1690723896 CTJSOKXNTKBNHU-HNNXBMFYSA-N 458.631 1.521 30 10 JDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1690728962 BXNBAJHJFWSZPE-UHFFFAOYSA-N 453.565 1.417 30 10 JDEE CC(C)(C)CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1691193268 BNPLXHDFSTXXTK-UHFFFAOYSA-N 459.620 1.924 30 10 JDEE CC[C@@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CCO1 1694459171 ALKATDHOYXMKJJ-NRFANRHFSA-N 462.576 1.625 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1705495031 JWNWTTKNVNXHAW-HRCADAONSA-N 463.526 1.291 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC(C)(C)N2CCOCC2)c1 1705507491 CTUCFTDIBZHGAG-UHFFFAOYSA-N 493.612 1.568 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1705560657 MITVHZRSEQWZGW-VQIMIIECSA-N 489.573 1.710 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1705561253 OLQKMXHGLNILMK-MZKRTTBSSA-N 479.647 1.431 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1705562726 IKNCBWAIILOMHM-ROUUACIJSA-N 450.948 1.641 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705567404 VYDZFECTKTVERJ-RBUKOAKNSA-N 492.623 1.273 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCC(=O)NC2CCCCC2)CC1 1705648635 VFOTULHAHPXYFD-FQEVSTJZSA-N 470.618 1.977 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cccc(C#C)c1 1705661450 BTMLEFKHCUGMMB-GOSISDBHSA-N 471.608 1.603 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1705716830 WHKRRCPRCLMNJW-SJORKVTESA-N 494.584 1.898 30 10 JDEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705722346 HBGXYDWODZEXQX-NSHDSACASA-N 451.350 1.492 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1705725666 MLCYGEMAYHZKQN-OTWHNJEPSA-N 453.609 1.830 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705728991 HIFAIQZRIFNXSI-UHFFFAOYSA-N 458.567 1.511 30 10 JDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1705776004 UMOLIJCXSDQQHJ-UHFFFAOYSA-N 453.547 1.082 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C(=O)N(C)C)CCCC2)CC1 1705780862 ISIWVBZGIOJMGA-INIZCTEOSA-N 452.625 1.939 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1705819616 PUAVJLPPKJJPAR-MOPGFXCFSA-N 478.623 1.627 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1705890836 LEGGUJBKWKMLLW-SFHVURJKSA-N 495.005 1.413 30 10 JDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1709842520 AVDNLWQBJKEKBT-UHFFFAOYSA-N 450.547 1.727 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(Cl)cc1 1722296384 PKIKZHRMFJQZIK-CRAIPNDOSA-N 467.979 1.801 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1722358679 KOBXYTDDWXPSPQ-NRFANRHFSA-N 490.674 1.653 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(C)cc1OCC)[C@@H]1CCS(=O)(=O)C1 1722370550 CGWJFHXPNWROGT-HXUWFJFHSA-N 485.610 1.783 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1722370875 RHHNFXAQHMEOOH-GOSISDBHSA-N 472.546 1.828 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC2CCOCC2)CC1 1722446977 FJSTWAFZNDWPQY-HXUWFJFHSA-N 477.631 1.353 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1722492754 UNDHQXSIYCIXOF-JKEDJMADSA-N 469.608 1.254 30 10 JDEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@H]2C1)c1ccccc1 1722593964 DAXYDDFUPWSTHL-QRQLOZEOSA-N 474.587 1.889 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1722724891 AOHLTBPVKWASEH-FQEVSTJZSA-N 488.658 1.771 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(=O)Nc1ccc(F)cc1 1723939914 ABPZXLLCFVEYMC-VLIAUNLRSA-N 463.539 1.796 30 10 JDEE CCN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)CC1)S(C)(=O)=O 1728333308 GIIXFZWJEWWXQB-JGCGQSQUSA-N 490.655 1.978 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(C)cn2)C1 1728680440 ADBXZZGDORSMLF-LJQANCHMSA-N 454.560 1.540 30 10 JDEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C#N)C1 1729344334 CXIVCWGIIJJWJL-LJQANCHMSA-N 476.603 1.775 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC(F)F)OCO2 1740532354 DTKLYYPGJORHSA-RYUDHWBXSA-N 471.486 1.725 30 10 JDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1740579073 KXDQYTWEWZBZKB-NHCUHLMSSA-N 469.634 1.744 30 10 JDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1740583237 NDHVSMXYUNUGCE-HNNXBMFYSA-N 466.633 1.829 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CSc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1740616319 YSWKFFXUPZTJHV-IAGOWNOFSA-N 473.624 1.933 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1740624218 GLKZCPBUXHLBFA-SFHVURJKSA-N 459.601 1.351 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1740715904 HOIURNAYEAXWTB-HZPDHXFCSA-N 464.592 1.326 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1740795078 NGKNLAVDPSQVBB-KRWDZBQOSA-N 482.676 1.776 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1740825116 JTRBBVPQVLNPJB-RBUKOAKNSA-N 466.652 1.888 30 10 JDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740893424 JPAKJPJXMAZSEX-MRXNPFEDSA-N 482.632 1.099 30 10 JDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740946322 ILFAYGYQQXABLP-UHFFFAOYSA-N 478.557 1.034 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@@H]1CC 1740958685 FQTIHDVSAIOYGU-SFHVURJKSA-N 478.557 1.253 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCOCC)CC1 1740959395 UBUDIXZIVQMKAH-UHFFFAOYSA-N 466.546 1.055 30 10 JDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1740963045 XSSQXOVMKZKYDD-IRLDBZIGSA-N 452.603 1.913 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740968692 DHPPARRUJJRKIV-ROUUACIJSA-N 480.612 1.417 30 10 JDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1741006961 TXIGNAVMOLDNBK-UVUJQTEASA-N 492.690 1.910 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1741820365 FDHUGZYUSVCXBC-SIFCLUCFSA-N 487.602 1.833 30 10 JDEE Cc1nccn1-c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)cn1 1742626210 ADTIZRHJKVIWBG-OPAMFIHVSA-N 483.602 1.956 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCS(=O)(=O)N(C)C 1748666544 CRAAPZBXFBYDLU-INIZCTEOSA-N 471.587 1.414 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1748695160 YXNANEFVLBAYRE-WCWDXBQESA-N 473.537 1.813 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCOC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748814160 ACBDMCYFDSTGQC-IEBWSBKVSA-N 463.604 1.595 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(CCOC)CCC1)[C@H]1CCS(=O)(=O)C1 1748820616 FTXCIMKWMKKWLT-FQEVSTJZSA-N 474.631 1.973 30 10 JDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cc(C)nc(N2CCCC2)c1 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C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1760171727 HEAHFYFUTAVHTQ-XUTLUUPISA-N 483.573 1.988 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1760181400 UUXPXNLWQDSLNK-LQWHRVPQSA-N 454.593 1.370 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1760182514 JSEOIAIYNONOGQ-GOSISDBHSA-N 486.598 1.901 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCCN1CCN(c2ccncc2)CC1 1760216818 COOYYNABDVCNFC-UHFFFAOYSA-N 455.570 1.805 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC)c(OC)c1 1760233395 MKJUGXPOZMNXPZ-FQEVSTJZSA-N 477.587 1.526 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H]1COCCO1 1760240517 UDQPYNGJNIISNL-LPHOPBHVSA-N 465.551 1.473 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2C[C@@H]2CCS(=O)(=O)C2)n1 1760253144 WFWRWAPGNFKVSW-SFHVURJKSA-N 460.604 1.853 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1760268685 OMEVOLJPQRMZHS-SVFBPWRDSA-N 483.661 1.952 30 10 JDEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)COC)CC1 1760451138 AHIGPGVEFPKYKW-HXUWFJFHSA-N 457.531 1.678 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCS(=O)(=O)C1 1760484106 NAVXJRYBULNMCQ-LSDHHAIUSA-N 473.646 1.577 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1760522332 QZRJORCJVHGBNI-SJORKVTESA-N 496.634 1.318 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCc2ccccc2)C1 1760554530 GMNHLNJVUCZMJZ-PMACEKPBSA-N 494.639 1.577 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1760555658 KDXPRVGEAUWDNH-QZTJIDSGSA-N 464.592 1.923 30 10 JDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCS2(=O)=O)C1 1760639974 FZIGLRMCFIGDRV-PMACEKPBSA-N 456.572 1.889 30 10 JDEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)CC1 1767698920 CGXJIPMNLCIZMV-JGCGQSQUSA-N 456.572 1.602 30 10 JDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(C(=O)OC)CC2)CC1=O 1769899948 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C[C@H](NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2256673380 SKXDYRQEGAPSCI-STQMWFEESA-N 455.386 1.895 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CC[C@H]1CNC(=O)OC(C)(C)C 2267374468 RYMXWTGJKGCFOL-KBPBESRZSA-N 470.401 1.301 30 10 JDEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C1 2267415025 WKRJLLHAHXVXQM-UHFFFAOYSA-N 450.316 1.837 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)n1 2267527631 KBZJXMMIMXGLNI-CQSZACIVSA-N 452.361 1.160 30 10 JDEE Cc1nc(S(=O)(=O)N(CCC(N)=O)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2267726050 JTJOKQAJWJXBKV-UHFFFAOYSA-N 462.381 1.094 30 10 JDEE CN1CCN(C(=O)OC(C)(C)C)[C@H](CNC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2281811639 HIQLXMCAHSWULQ-OAHLLOKOSA-N 463.388 1.000 30 10 JDEE COC1(CCNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OCc2ccccc2)C1 2282023003 KGJGMQFSJBIDNM-UHFFFAOYSA-N 496.373 1.933 30 10 JDEE C[C@@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@@H]1NC(=O)C(F)(F)F 2282175472 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O=C(CSc1nc(N/N=C/c2cccc([N+](=O)[O-])c2)n[nH]1)Nc1ccc2c(c1)C(=O)NC2=O 21037014 RDDFMZNNMNOBBV-DNTJNYDQSA-N 466.439 1.773 30 10 JDEE Cc1ccccc1OC[C@@H](O)Cn1c(N/N=C\c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 33145664 AESPWYLHLMKJQB-GQMTYKABSA-N 462.510 1.628 30 10 JDEE C=C[C@H](O)C#CC#CC[C@H](O)[C@H](O)CCCCCC[C@H](O)CNC(=O)/C=C/c1ccc(O)c(O)c1 67913922 FFYRHMJUEAXLLR-MWZFRCCWSA-N 485.577 1.594 30 10 JDEE biogenic CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C(N)=O)cc1 729672483 QEBIQHNERSGCFM-UHFFFAOYSA-N 486.557 1.065 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1128433517 KQNOYCXIAHSLOL-OAQYLSRUSA-N 459.568 1.420 30 10 JDEE C=C(C)CN1CCC(NC(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CC1 1225031193 OEBNDNYCMLDNLZ-HXUWFJFHSA-N 450.605 1.984 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C(C)(C)C)no1 1286297338 VXTWFDQFGRLYIM-GOEBONIOSA-N 450.565 1.403 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(OC)c(OC)cc1C 1286348940 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C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@]2(O)CCN(C)C2)CC1 1286494422 OHFGZOYKBRLXFP-VWLOTQADSA-N 450.587 1.096 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@](C)(O)c1ccccc1 1286521637 BLRIUGKEBFDHEL-AGILITTLSA-N 487.626 1.901 30 10 JDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCOCC2)C1 1286541376 IFEUMQSCLYCTLF-OAHLLOKOSA-N 490.424 1.527 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCOCC1 1286552671 ADCLHSFJKCVDQP-ZCNNSNEGSA-N 483.635 1.455 30 10 JDEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1286695367 VOQZZGPHZSQDSI-KRWDZBQOSA-N 469.525 1.859 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCC[C@@H](COC)C1 1286783076 FXVBRFCQPYCOFV-QGZVFWFLSA-N 451.535 1.476 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1286783715 ZVCUCQOSNCSYRN-UHFFFAOYSA-N 477.569 1.587 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(F)cccc1Cl 1286787437 GABGTEMRTOMRGX-CYBMUJFWSA-N 455.943 1.911 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccccc2C#N)CC1 1286793742 LAMUUJCLAJILIG-UGKGYDQZSA-N 465.558 1.503 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1286821655 RKXNBTLLRXRQFQ-UHFFFAOYSA-N 487.630 1.591 30 10 JDEE CC(C)NC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1288201066 CFZOCRJOZFHBNL-DLBZAZTESA-N 453.551 1.073 30 10 JDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCOCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1295173884 HXTIOPZELVMJOL-HXUWFJFHSA-N 472.615 1.941 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(CCC)CC1 1300309620 ICCFATIUXNYROR-HKUYNNGSSA-N 452.625 1.191 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCCS(=O)(=O)C2)c1 1300337327 ZDGOHUVXQMKFGF-LJQANCHMSA-N 498.609 1.282 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1300479129 JAKBTFMYERFRMR-SFHVURJKSA-N 463.604 1.348 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1300489804 SLERMCOSONATDX-KRWDZBQOSA-N 460.556 1.768 30 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1507736157 GEGXVJQPWLFJBZ-UHFFFAOYSA-N 457.538 1.714 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(COC)c2)CC1 1507738027 IDWPCQGZOPWZJG-FQEVSTJZSA-N 450.543 1.390 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)NCc2ccco2)CC1 1507738878 GOQBHDGNETXPAY-SFHVURJKSA-N 454.531 1.047 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccs2)CC1 1507752169 WCSPGMJYWYRUAM-INIZCTEOSA-N 451.643 1.935 30 10 JDEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507757602 VEJSEDGDHXEWGP-INIZCTEOSA-N 467.592 1.833 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(=O)(=O)NC 1507760581 ANUGVVPLJXWIIC-HXUWFJFHSA-N 479.632 1.088 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1507835833 NHGPBEBUTLDYFJ-GOSISDBHSA-N 478.594 1.837 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@]2(CCOC2)C1 1507916443 QPYLERZNIULSLK-UTKZUKDTSA-N 469.608 1.209 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CC1 1508033160 LLDMFTUPRLSWQG-OFJJUDJNSA-N 452.602 1.919 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1508133236 FTEMMHOCEQVVCU-RBUKOAKNSA-N 463.604 1.994 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)=O)CC1 1508135657 MXEVNCLIISINIQ-UHFFFAOYSA-N 485.408 1.315 30 10 JDEE Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c(O[C@H]2CCOC2)c1 1510870683 HFBDJXHRTMEQHD-ZJBJCVSYSA-N 492.577 1.855 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1Cc2ccccc2C1 1539016435 UTXISSKCNHWUIH-LAUBAEHRSA-N 457.600 1.874 30 10 JDEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539066112 PKVYMXKHPRDVOR-OALUTQOASA-N 499.616 1.343 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1539126592 YUNJOCGSCNZJMS-SFHVURJKSA-N 456.572 1.019 30 10 JDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1539215504 DNSHUGVGFKTEFP-OFNKIYASSA-N 468.583 1.919 30 10 JDEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1539216962 YIKGKZBPAISATE-KRWDZBQOSA-N 468.583 1.968 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCNC(=O)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1539222231 UUDROTKQJGSZHV-LEWJYISDSA-N 485.610 1.885 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(SC)c1 1539370735 ZIMHEPUENRIJBC-INIZCTEOSA-N 450.590 1.236 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC[S@](=O)C(C)(C)C)CC1 1539445742 DGVRVNBXWLRZNM-UMSFTDKQSA-N 481.626 1.494 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCn2ccnc2C)CC1 1539470116 YDZDMUWQVRVCRV-DEOSSOPVSA-N 469.590 1.490 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2csc(COC)n2)CC1 1539488710 NWBVTCCLDRFBEP-UHFFFAOYSA-N 471.587 1.018 30 10 JDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1540857028 RCEHNILYWHMUQD-DLBZAZTESA-N 465.558 1.746 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1540897260 FJHSRTGIKKPSMF-UHFFFAOYSA-N 452.625 1.137 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1540898228 DLFSEMQHFCJIAJ-PKOBYXMFSA-N 493.655 1.622 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1540902502 LCBOTFYNHZUUKZ-KKSFZXQISA-N 450.536 1.620 30 10 JDEE CC(C)(C)NC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CC1 1541198256 GZURIJRYFAUQGF-UHFFFAOYSA-N 467.574 1.988 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1588050280 QIGZHOXOEMIJJJ-VQTJNVASSA-N 471.631 1.730 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN(CC)CCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1588050348 RPNUXXYORHTWON-KRWDZBQOSA-N 487.552 1.580 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(N(C)C)cc1 1588386158 NDWYMYMOHUBVOV-HXUWFJFHSA-N 460.604 1.379 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCCN2CCOCC2)CC1 1588969028 USHMGJQWKTXTNC-UHFFFAOYSA-N 484.576 1.684 30 10 JDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](C)(C(N)=O)C1 1589068952 GHLFWSDLHNAICH-JOCHJYFZSA-N 454.604 1.520 30 10 JDEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](C)(C(N)=O)C1 1593735314 CKDHRFMJJXCNKA-NRFANRHFSA-N 461.592 1.533 30 10 JDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1595387114 QLPCFJVDIVRCGX-OAHLLOKOSA-N 466.564 1.069 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1595773272 WJYACXKRAZKFHY-HNNXBMFYSA-N 465.967 1.150 30 10 JDEE CC(C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)N1CCOCC1 1597780559 FEWKNTGCIMJWCX-UHFFFAOYSA-N 453.547 1.166 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(C[S@@](C)=O)cc1 1611686323 DRKKVWWXFCNSLW-XTPZFKODSA-N 468.580 1.257 30 10 JDEE CC[C@H](C)N(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1613400229 AYHSHFNQSKEQOA-ZWKOTPCHSA-N 489.650 1.212 30 10 JDEE CCO[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)C1CCCC1 1616098438 BJISFLKBHMTVGK-GUDVDZBRSA-N 451.593 1.894 30 10 JDEE COc1cccc(C(=O)NCCn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 1619329777 GUWKYEQMNHMJBM-INIZCTEOSA-N 461.530 1.402 30 10 JDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCc4c(cccc4S(N)(=O)=O)C3)C2=O)cc1 1634187501 AAWNAZHIDCXWDX-LJQANCHMSA-N 453.524 1.469 30 10 JDEE CN(C)CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1638428368 ALKUNYUGGFKKIU-FQEVSTJZSA-N 454.552 1.819 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC(=O)NCC(F)F)c1 1689872410 YBTULTUBMMKKDR-UHFFFAOYSA-N 467.480 1.701 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccccc1CN1CC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1689979453 BMLKLIFIXSWJRF-FGZHOGPDSA-N 485.654 1.817 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689985900 FAOLPLCNBFTAGD-GOSISDBHSA-N 470.599 1.615 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCOc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1689988470 PREYXKSUBLQXBA-OALUTQOASA-N 471.583 1.552 30 10 JDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1690067247 WNGPRNYTBTZDKH-GOSISDBHSA-N 475.479 1.643 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2nncn2C)CC1 1690139348 IWGUTPATTBAOJW-UHFFFAOYSA-N 456.913 1.880 30 10 JDEE C#CCSCCn1c(N2CCN(CC(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690186828 VFDHAVFNOHCMBD-XMMPIXPASA-N 490.674 1.430 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1690236418 MKVISTQQPJYKLQ-PKOBYXMFSA-N 482.651 1.648 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690237890 BTXZMDXOZMDNPJ-RDGPPVDQSA-N 476.578 1.456 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2cccs2)C1 1690700917 ZNPAGHQAQUWLNJ-HOTGVXAUSA-N 465.601 1.453 30 10 JDEE C[C@@H]1CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)CCCO1 1693837006 HNCXXJMASFCKSI-RTBURBONSA-N 451.575 1.985 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 1696622851 DHMMEKVIMZYSRS-HXUWFJFHSA-N 458.588 1.961 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2CCC[C@@H]2NC(=O)NC2=O)c1 1705504233 QLRZYWFJYCJNMZ-YJBOKZPZSA-N 451.531 1.836 30 10 JDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1705542377 FFRHHVIDHURQIW-FDDCHVKYSA-N 454.579 1.889 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1705559676 APCJZZGDGBRSAU-XUZZJYLKSA-N 493.674 1.821 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1705568832 VUNQKLITHOVNRA-SFHVURJKSA-N 457.556 1.084 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1705570627 PEOWUFPSKONSNB-OYHNWAKOSA-N 477.537 1.252 30 10 JDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1705640804 GVGIJPZOCPQHSV-UHFFFAOYSA-N 499.666 1.688 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1705648500 XXRXFXSZNBRSFG-UHFFFAOYSA-N 491.552 1.775 30 10 JDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCNS(C)(=O)=O 1705661692 HQFWJEJBFMOSQE-QGZVFWFLSA-N 451.574 1.142 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccco2)C1 1705737490 SJIKMHMNISCYCK-HKUYNNGSSA-N 465.576 1.791 30 10 JDEE 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30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCCN1CCCCC1 1722351929 MEHHCZNMDKMIRB-IBGZPJMESA-N 452.625 1.337 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC(C)(C)C1 1722355036 OJMQUJGNBZQGDD-SFHVURJKSA-N 462.595 1.767 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1722359285 KTPOTPPPQBZFMS-LJQANCHMSA-N 484.582 1.876 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccnc(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1722370475 NUJNBFBBWZDBDU-OAHLLOKOSA-N 455.487 1.486 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCO[C@@H](C)C1 1722393288 YNKLXJXELXBKIH-NRFANRHFSA-N 473.585 1.885 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C(C)(C)C)no1 1722427258 SQFXUSIBDNLNPU-KRWDZBQOSA-N 480.591 1.031 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCCC2)C1 1722460458 GKLNKWPGLSSXNH-KRWDZBQOSA-N 453.634 1.748 30 10 JDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(S(C)(=O)=O)CC1 1722483110 GDNHJRFVONGIEN-UHFFFAOYSA-N 472.365 1.928 30 10 JDEE 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C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(C)COCCO2)c1 1286312621 WWORTQYCAJELNZ-KIVTUJJHSA-N 483.569 1.864 30 10 JDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 1286339514 WVSKEAVNUZDCHJ-QGZVFWFLSA-N 464.578 1.763 30 10 JDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1286382455 SASIHIQRAFLOSZ-AVRDEDQJSA-N 494.017 1.649 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286390240 ZBZNRAGHFFGDCQ-BJLQDIEVSA-N 459.620 1.426 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)CN1CCOCC1 1286412558 BWBKTLVBLYOJAN-OAQYLSRUSA-N 462.602 1.493 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCCS(=O)(=O)C2)n1 1286470729 BOYVVRRFQURDBO-PZJWPPBQSA-N 490.630 1.827 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCN2CCCC)CC1 1286470869 DSJXRSMPTDRCFJ-VQTJNVASSA-N 465.668 1.298 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2C(F)(F)F)CC1 1286471730 NNTGESDITRRHSL-OAHLLOKOSA-N 470.521 1.711 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN2CCC)CC1 1286485099 CODRJUPAMNXEMY-FQEVSTJZSA-N 455.607 1.354 30 10 JDEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286668800 VARPGTURMHLBSL-CQSZACIVSA-N 476.379 1.785 30 10 JDEE C=CCCOCCn1c(CC)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1286712879 NKXLWJXXMDUFFQ-BRWVUGGUSA-N 469.608 1.560 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1286790679 NTHYJVAPSIEHQW-HXUWFJFHSA-N 451.575 1.413 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1286818896 RWJFHRRZQQOSNV-UHFFFAOYSA-N 474.591 1.064 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1286819087 ZLSWZCIXIWRTIN-UHFFFAOYSA-N 471.587 1.868 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(F)(F)F 1288858135 CZVCMNHXKAQBAU-GFCCVEGCSA-N 458.470 1.044 30 10 JDEE CCN1CCN([C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NC(C)C)C2)CC1 1296179455 GZPWZXNXTFFYAR-NRFANRHFSA-N 450.591 1.558 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[S@@](=O)C[C@@H]2c2cnn(CC)c2)ccc1F 1297283651 PUBNLRLYPAMRTF-CQGGRAHPSA-N 454.549 1.452 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1297728976 CHAJMHCWMPXYME-FQEVSTJZSA-N 485.614 1.689 30 10 JDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)o1 1300414175 GSTFUHKWFQNUCS-UHFFFAOYSA-N 454.512 1.754 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CSC)cc1)[C@@H]1CCS(=O)(=O)C1 1300492214 LXJNLLLOIGSTDW-MOPGFXCFSA-N 473.624 1.767 30 10 JDEE C#CCN(c1nnc(CC)n1Cc1cc(OC)c(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1300498525 LFISUURHORRROK-KRWDZBQOSA-N 462.572 1.931 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(O)CCCC2)CC1 1300718119 BKESLZNKTDXKHT-UHFFFAOYSA-N 485.610 1.620 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1301223071 MBEFGWXNVMWNAA-KRWDZBQOSA-N 461.592 1.662 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1301258693 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C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccnc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1358964136 UNGZTBHPYDZNOB-CVEARBPZSA-N 469.489 1.871 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1358966798 XBZYXEPGOCJSPJ-KRWDZBQOSA-N 461.975 1.729 30 10 JDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCO[C@@H]1C 1358996983 ZWVHMAPFWFDMAD-YIXXDRMTSA-N 476.625 1.646 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(O)CCN(C)C1 1359021135 CPIDYIUSMOPDSX-FQEVSTJZSA-N 466.355 1.999 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)cc1 1359025179 FYCDHAYIXSHXCM-LJQANCHMSA-N 482.006 1.593 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H](C)CN2CCOCC2)CC1 1359031032 OBLGDFAPLXBYTI-HXUWFJFHSA-N 498.628 1.694 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CCOC)CCCCC2)CC1 1359035951 JGPBTZXFYUVBJO-FQEVSTJZSA-N 463.648 1.922 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(C(C)(C)O)c2)CC1 1359044140 WVLQFMMUIWRUCZ-UHFFFAOYSA-N 459.554 1.977 30 10 JDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1359075806 GOHZXWXEAXMKLB-IRXDYDNUSA-N 467.412 1.970 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCOC1 1359098561 CLCGPOLBIIFGFU-RDGPPVDQSA-N 469.608 1.065 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359101245 MJIPFKZPFGVBEK-IFMALSPDSA-N 481.601 1.418 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)cn2)CC1 1359178831 CTZJHGSYXLVSCR-SFHVURJKSA-N 450.540 1.596 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1359284331 IFYKCDVXXLYCIT-FQEVSTJZSA-N 473.647 1.598 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1359303304 JQAVSLVDOXYGMD-JOCHJYFZSA-N 479.610 1.581 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1359332021 MSPYONPWQWEMHW-HZPDHXFCSA-N 465.542 1.846 30 10 JDEE CNC(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1503816681 GPKKDIVVWXQQFQ-UHFFFAOYSA-N 465.537 1.613 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCOc2ncccc2F)cc1 1505319590 BKTFTRMKJKPEQU-UHFFFAOYSA-N 451.462 1.668 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](N1CCOCC1)C(F)(F)F 1507532814 JBUMIBGDAHLZGZ-CJNGLKHVSA-N 454.453 1.727 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CCCS1(=O)=O 1507699237 DPWXRPLKKSXOBB-KRWDZBQOSA-N 466.608 1.845 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507712077 POYVHFNHUFTDMX-SFHVURJKSA-N 466.007 1.890 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(NC(N)=O)cc2)CC1 1507739494 INDOTGVFFWWYJS-UHFFFAOYSA-N 472.553 1.769 30 10 JDEE C=C(Br)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507780717 GBAWGGIXKODDBQ-HNNXBMFYSA-N 464.320 1.924 30 10 JDEE C=C(Br)Cn1c(N2CCC(NC(=O)COC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507794139 WBOKIBSZEQYVNV-FQEVSTJZSA-N 486.411 1.959 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)CCCS(C)(=O)=O 1507797672 DZFNGCDQXGFPGL-BEFAXECRSA-N 465.576 1.858 30 10 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SEMNMOVZCHYXJI-RTBURBONSA-N 459.528 1.905 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(S(C)(=O)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1539220528 KIIREHFSBVITHD-QZTJIDSGSA-N 484.644 1.504 30 10 JDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1539453655 BLFAVOXFMKQWEH-GOSISDBHSA-N 483.564 1.652 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(N(C)C)Cc3ccccc3C2)CC1 1539467756 YTSVEWWILHGJQX-UHFFFAOYSA-N 491.640 1.481 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(=O)NC)CC1 1539966246 HXMHRGXQCBXYSI-SFHVURJKSA-N 468.624 1.320 30 10 JDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H](N1CCOCC1)C(F)(F)F 1540046985 CUNKBESNXKLSPW-KBPBESRZSA-N 454.519 1.164 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H]1CCCO1 1541942399 CWUQIKAIXMHRAG-RDJZCZTQSA-N 477.566 1.405 30 10 JDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1561486457 BDOULCDFAYXETJ-UHFFFAOYSA-N 458.459 1.145 30 10 JDEE C#CCONC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 1584287727 XLBDXKAWBPTSNU-UHFFFAOYSA-N 450.517 1.667 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1F 1587639655 MNMYFWHFNZQOEO-FCEWJHQRSA-N 465.551 1.676 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588039701 CJIQHPFSJSOHLC-JTAQYXEDSA-N 496.637 1.943 30 10 JDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC1CCS(=O)(=O)CC1 1588250250 BPTRKDXPBGHGBK-UHFFFAOYSA-N 459.597 1.557 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ccc(C(N)=O)nc2)CC1 1588876646 DJDXPZWNKNESMD-FQEVSTJZSA-N 494.600 1.648 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1COc2ccccc2O1 1594732934 JPUGIODNHMSPHE-FXAWDEMLSA-N 477.587 1.853 30 10 JDEE C=CCCCn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1594775139 PYYVQPRHXYLVJR-XMMPIXPASA-N 474.606 1.556 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1595497128 QMXQKBMCSARYBT-QGZVFWFLSA-N 469.571 1.378 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCc2ccccc2)C1 1595550298 CCHMPPZFDZXPCV-OALUTQOASA-N 459.572 1.278 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1595812020 KSQHWKHHOTYJGY-LJQANCHMSA-N 498.613 1.262 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1595831817 WUMLHNUYJSAFCR-GUDVDZBRSA-N 494.662 1.838 30 10 JDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1617313504 HRCJJQAHEJRAPE-UHFFFAOYSA-N 476.566 1.845 30 10 JDEE CS(=O)(=O)CCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C#N)CC1 1620162631 DZQSTFUDDPWFRH-UHFFFAOYSA-N 458.592 1.627 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 1620351596 BVVKQVIUYUJCCG-PKOBYXMFSA-N 456.528 1.282 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)OC)c2ccc3c(c2)CCO3)s1 1633612217 ACGIXCNERRNURE-IBGZPJMESA-N 450.538 1.720 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)CC1 1638384413 IUMVWEQVLZDPSY-OAHLLOKOSA-N 457.350 1.068 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 1644281574 GXPNZIKGYLPPAN-LJQANCHMSA-N 458.506 1.053 30 10 JDEE C#CCN(C(=O)NCc1nnc2c(=O)[nH]ccn12)[C@@H]1CCOc2ccc(Br)cc21 1684193969 GKTBJNHRMJVYTR-CQSZACIVSA-N 457.288 1.849 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@]2(O)CCOC2)c1 1689873733 UYORISOAKXBIFG-XMMPIXPASA-N 463.542 1.347 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1689984471 PYYWDEBEWVZQLA-INIZCTEOSA-N 476.946 1.803 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCNC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1689985772 AZIBEJHQMJOCOU-INIZCTEOSA-N 471.514 1.734 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1689993433 DKQNQEYZWJKLGM-IBGZPJMESA-N 456.572 1.570 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1689998116 BUMPDOMFFRQOMM-XWSJACJDSA-N 452.577 1.055 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2CC2CCN(C(C)=O)CC2)n1 1690109062 FKCZODJWVIKQFY-UHFFFAOYSA-N 479.589 1.420 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ncccc2F)CC1 1690175420 XCMVZTSDNYLKHU-KRWDZBQOSA-N 478.619 1.797 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCOC)C(=O)C1 1690250481 IDSDRNIDQKBVAZ-SIKLNZKXSA-N 457.579 1.416 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1690666015 WGTTVHDITRLJDT-MRXNPFEDSA-N 474.997 1.332 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nc(C)cs2)CC1 1690675178 RBHUWOHXCKMMFO-UHFFFAOYSA-N 486.627 1.663 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690675383 YWMKQTDOCIRVCV-VWLOTQADSA-N 495.584 1.591 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC[C@H]2OC)C1 1690700005 MJVSHLHXJRJSNF-MKXGPGLRSA-N 469.608 1.207 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCOC[C@@H]1C 1690726624 GWPYQMZPZQIZKB-NRFANRHFSA-N 488.658 1.469 30 10 JDEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1695008869 BLWUWOWXWZEMMO-PZJWPPBQSA-N 499.641 1.983 30 10 JDEE CCN1CCN(C[C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CC1 1695895944 HNCDUJPINLYVCN-FPOVZHCZSA-N 477.679 1.584 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCS(=O)(=O)NC 1705481200 BGHLELKRBLTXJC-LBPRGKRZSA-N 456.366 1.723 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1705517030 NNCCXUWLEGFTNO-RTBURBONSA-N 480.635 1.108 30 10 JDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCN1CCC(O)CC1 1705556851 LTCWFNCQXDUDPJ-UHFFFAOYSA-N 465.646 1.559 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1705559642 AFRQJAHFSRZLFG-NFBKMPQASA-N 458.584 1.914 30 10 JDEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1705562474 CVZRSBWPHCYUCW-RTBURBONSA-N 490.582 1.395 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1705568396 MVSGIEAISONPEC-MRXNPFEDSA-N 473.580 1.997 30 10 JDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[C@@H]1NC(=O)NC1=O 1705618758 UDGAMVXKMIXKLE-XHSDSOJGSA-N 459.551 1.497 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(NC(=O)C3CCC3)c2)CC1 1705633360 PFQDQGUCOVYBPY-GOSISDBHSA-N 499.641 1.430 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2(N(C)C)CCSC2)CC1 1705634885 LISNHLAQALMIIC-DHIUTWEWSA-N 462.664 1.511 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1705904094 FOTVBMLKKMJHIM-IEBWSBKVSA-N 459.572 1.833 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705933801 RWAYZFFEVTUTBS-LJQANCHMSA-N 462.620 1.664 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(CC(=O)NC)CC1 1705936017 HUWJDNIBMBUNNR-HXUWFJFHSA-N 489.598 1.744 30 10 JDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705941985 DFQZPROBXJLSMT-UHFFFAOYSA-N 499.684 1.740 30 10 JDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1709937815 AFVUDQFOXMKNKE-IBGZPJMESA-N 472.571 1.079 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 1722366792 JRSGTPDVBHWBJP-ZWKOTPCHSA-N 486.554 1.083 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1COCCO1 1722446538 CUANEOBOVZKAOV-QGZVFWFLSA-N 452.515 1.176 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1722685278 BUQCHZNEECVWIE-INIZCTEOSA-N 470.502 1.150 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1722699549 VYFTUTZXIGMHBX-LJQANCHMSA-N 492.646 1.101 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1722727355 IASBHIBXYHVZBT-INIZCTEOSA-N 469.608 1.876 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1722729412 KCFUAPLYELDDBS-JOCHJYFZSA-N 461.588 1.639 30 10 JDEE C#CCCCCn1c(N2CCN(CC(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740578601 JPQXIOSHUQZMBM-VWLOTQADSA-N 472.634 1.867 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(F)c1)N(C)C 1740646314 VMXBLCOTCVCOIU-XLIONFOSSA-N 460.579 1.793 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCC[C@@H]1NC(=O)NC1=O 1740647425 ONGIXIAYXAMRJM-KRWDZBQOSA-N 456.453 1.998 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC=C 1740655902 GEVSKSGKJSNWOT-GOSISDBHSA-N 456.547 1.352 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1c(C)cccc1C 1740656523 KRZBKBKGYGLPHV-IBGZPJMESA-N 453.568 1.899 30 10 JDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCS(C)(=O)=O 1740663705 QOZPLRDXRKICBO-UHFFFAOYSA-N 452.606 1.441 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCNS(C)(=O)=O)CC1 1740707150 QUBXYUNNUIHBTL-UHFFFAOYSA-N 493.033 1.427 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1740707783 PMANAJNKQDSIDH-GOSISDBHSA-N 486.539 1.434 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCCN2CCCO)CC1 1740708640 WYCQUDPZHKOSFN-QFIPXVFZSA-N 456.635 1.823 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CC)C1 1740762921 XCVYESJMWXBUGL-HCXYKTFWSA-N 469.608 1.207 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740763590 NIDUIGOKEPXNDZ-LQWHRVPQSA-N 480.635 1.147 30 10 JDEE C=CCCCn1c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740881492 ISCFAEAYGXTWGT-VGSWGCGISA-N 458.567 1.817 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(F)c(F)c1 1740900050 LBPITWRNFPZNSY-KRWDZBQOSA-N 457.503 1.590 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)O[C@H](COC)C1 1740953136 WRZAJTHNHNFVGB-ZFWWWQNUSA-N 467.368 1.588 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC(F)(F)F 1740953331 CEOYCKPZOLNKLB-UHFFFAOYSA-N 460.482 1.496 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1740962855 QMVYMOHRPNURDB-SFHVURJKSA-N 471.631 1.366 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(c2ncccn2)CC1 1740964092 GXYYXZSRXDTNOA-UHFFFAOYSA-N 468.949 1.929 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1740988400 CZWJWKDWRZAEEA-GOEBONIOSA-N 455.968 1.834 30 10 JDEE CC(C)NC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1741700939 HHGBOCBIITYXCB-RBUKOAKNSA-N 472.571 1.154 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748802233 NTCWNGDNQHEOGC-SFHVURJKSA-N 480.550 1.631 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1748896864 MPPDCMORDNLWKN-UHFFFAOYSA-N 459.554 1.982 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCn1cnnn1 1748902889 VWRBTWNTCYJHEO-SFHVURJKSA-N 453.551 1.890 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1OC 1748929454 JMOPUKWZZQHHRR-SFHVURJKSA-N 451.524 1.267 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCSc2nccs2)CC1 1748989133 GBQWPPIZRIUOBD-INIZCTEOSA-N 466.658 1.574 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCS(=O)(=O)c2ccccc2)CC1 1748989692 BDSKCDRZJRTMHI-FQEVSTJZSA-N 457.600 1.791 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC2([S@@](C)=O)CC2)CC1 1749010047 GSPBSBWOBOVJQG-JGCGQSQUSA-N 455.584 1.831 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)N2CCCCCC2)C1 1749697349 JEARDCWORGTCDB-MSOLQXFVSA-N 468.624 1.462 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCS(=O)(=O)N(C)C)C1 1749703878 QQHJYYHMLWWCRB-QGZVFWFLSA-N 463.560 1.389 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nccc(C(F)F)n2)C1 1749711645 BIIAQYXQZWNGOR-GDBMZVCRSA-N 499.544 1.168 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(N2CCCC2=O)c1 1760116111 FLBSFYQKTJEQKC-FXAWDEMLSA-N 486.598 1.244 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1760124960 WAHLYRRXGZPMEO-VNRULFPQSA-N 450.499 1.850 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCN(C)C(C)C)c1 1760126573 CJGFGGXFMSCRJN-UHFFFAOYSA-N 451.575 1.911 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1C[C@H](C)N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1760185866 FYLXIGDJBBQWBB-VQTJNVASSA-N 450.653 1.129 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1760190886 WDZLHPUVHZXPPP-JJCDCTGGSA-N 461.613 1.192 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCN1CCCO 1760202292 YZHCCVSFWMZCEC-FQEVSTJZSA-N 473.581 1.595 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC1(CN2CCOCC2)CCCCC1 1760217691 JOYFGVXEBWNIPP-OAQYLSRUSA-N 452.603 1.975 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N2CCc3ccccc3C2)CC1 1760264868 HEBLLMJJGSWHID-FQEVSTJZSA-N 491.640 1.829 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2cnnn2C)CC1 1760269650 ASLGEPPYGJJVIG-UHFFFAOYSA-N 452.950 1.665 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1 1760294868 IQBNKLKLFHZUHZ-SIKLNZKXSA-N 461.563 1.985 30 10 JDEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1CCN1CCN(C(C)=O)CC1)C1CC1 1760476270 LSXGWUOECPIZKR-UHFFFAOYSA-N 457.604 1.589 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H]3OC(=O)O[C@H]3C2)cc1 1760530143 LACOXDACCYHEHL-WBAXXEDZSA-N 477.543 1.616 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1760555443 FXAKIBXHDQMNIE-RBUKOAKNSA-N 473.599 1.872 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](N3CCCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1760558425 ONAVGQXOKAPPOK-SIKLNZKXSA-N 467.636 1.596 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)CCO1 1767706687 ADLTYMSTSFBXOR-QGZVFWFLSA-N 465.539 1.259 30 10 JDEE C=CCNC1=C(c2ccc(NC(C)=O)cc2)C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1863543910 GESCLBKEBGAFME-UHFFFAOYSA-N 454.508 1.348 30 10 JDEE COc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1OC 1870155500 PYFXQTJTZRJGLF-UHFFFAOYSA-N 477.393 1.299 30 10 JDEE COc1cc(S(N)(=O)=O)cc(C(=O)N2CCC(N(C)c3cc(C#N)ccn3)CC2)c1OC 1891303092 OEBADLCGPVOKKG-UHFFFAOYSA-N 459.528 1.359 30 10 JDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)CCS(=O)(=O)C1 2124543140 NQCMRDPQUGCFPE-OAQYLSRUSA-N 470.397 1.859 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@H]1C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)CC1 2184063716 JZINAEOEGUMNGJ-BZSNNMDCSA-N 466.384 1.898 30 10 JDEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255647209 VGTCNPXLQHSSSN-UHFFFAOYSA-N 451.354 1.252 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(NC(=O)OC(C)(C)C)COC1 2267123791 FTYAIHNFUMMRTF-UHFFFAOYSA-N 450.345 1.226 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F 2267182941 KFHQCHUABVEKNJ-LSDHHAIUSA-N 452.336 1.797 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2267183508 NRTXYQWVPZWTOC-GFCCVEGCSA-N 462.278 1.905 30 10 JDEE C[C@@H](NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C1CN(C(=O)OC(C)(C)C)C1 2267361015 WXPAQLOJDARSGR-CQSZACIVSA-N 467.397 1.915 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2267417823 YZQAYBGECHJBRH-KBPBESRZSA-N 488.437 1.696 30 10 JDEE CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CN(S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2267473840 LHHZWHCSWNLYSH-KBPBESRZSA-N 485.437 1.966 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2COCCN(C(=O)OC(C)(C)C)C2)n1 2267496741 CWTKWPSMJGBJIN-CQSZACIVSA-N 450.345 1.085 30 10 JDEE Cc1sc(C)c(S(=O)(=O)N2CC(CNC(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2267720975 DALKPKDZDOOVRL-UHFFFAOYSA-N 482.355 1.963 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)(CCNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2267729576 NGKNCTZOCFKVEX-UHFFFAOYSA-N 488.437 1.698 30 10 JDEE C[C@@H](NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)c1cscc1B1OC(C)(C)C(C)(C)O1 2268638424 IXAJIEGCGIULIP-CYBMUJFWSA-N 467.397 1.865 30 10 JDEE COC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN(C(=O)OC(C)(C)C)CC1 2281982217 LNPDNKXAKJSUET-UHFFFAOYSA-N 464.372 1.855 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]12CC[C@H]1CN(Cc1ccccc1)C2 2282183935 MJNNZXJQWLUVMG-UUOWRZLLSA-N 451.380 1.756 30 10 JDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(Cc1ccccc1)CC1(O)CNC1 2282323795 HJRJYDVZRJHFDZ-UHFFFAOYSA-N 472.416 1.819 30 10 JDEE CCN(C(=O)OC(C)(C)C)[C@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282350747 RHNGXFSUXZSYNX-HNNXBMFYSA-N 484.428 1.739 30 10 JDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](CO)C1 2282419538 VUSRRSJVBXJRRR-QGZVFWFLSA-N 482.408 1.588 30 10 JDEE CCn1cc(C(=O)NC2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282541274 VRYSCKNVRMSTFF-UHFFFAOYSA-N 464.328 1.006 30 10 JDEE Cn1cc(C(=O)N2CC[C@H](CO)[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282580007 NBYVBWKBVONGLJ-ZBFHGGJFSA-N 464.372 1.067 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@]3(C)C2)n1 2282619853 XFSFZRORMFMKAQ-FPTDNZKUSA-N 461.372 1.443 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C2)n1 2282625419 VEFOLDSSMHRXIT-CQSZACIVSA-N 463.388 1.737 30 10 JDEE CCCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2282684229 OBMWTBHCUVYUNP-HNNXBMFYSA-N 463.388 1.976 30 10 JDEE C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2282833321 GUOHWYDQRCTNRG-HUUCEWRRSA-N 484.428 1.501 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2282847855 FXJNTKBBTXLMIC-CQSZACIVSA-N 484.428 1.786 30 10 JDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282850552 QMBJNYIRLRJELT-CABCVRRESA-N 484.428 1.643 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC[C@@]1(C)CCN1C(=O)OC(C)(C)C 2282854422 RFNXINXYOZFGAU-NRFANRHFSA-N 484.428 1.787 30 10 JDEE CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(B2OC(C)(C)C(C)(C)O2)c1 2282869783 IHWNHKLSBVDCLL-UHFFFAOYSA-N 474.388 1.931 30 10 JDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@@H]21 2284119613 OCQDQBHNAKCRFV-HZSPNIEDSA-N 480.396 1.612 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2331520234 MYUJPCWVXJMJHW-YLFCFFPRSA-N 454.373 1.802 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 2362084775 QPJDPQGUTTUTHS-CYBMUJFWSA-N 487.432 1.332 30 10 JDEE CCCCCCCCCCCCCCC[C@H](O)[C@@H](N)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 8218930 FIFSBOWKHSUGDL-HOASPINLSA-N 463.656 1.972 30 10 JDEE in-vitro C=C1[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)C[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@H]1CC/C(C)=C\CO 248334513 LRKGVEXMBFESEF-KGJXMQNBSA-N 454.604 1.909 30 10 JDEE biogenic Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)N(CC#N)c2ccccc2)[C@@H](C)O)cc1C 777284571 SYHDYQRXFCFROC-DYESRHJHSA-N 459.524 1.431 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2c(C)nn(-c3ccccc3)c2C)cc1 919048756 QSHMEUJGHALEPH-UHFFFAOYSA-N 480.546 1.874 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)[C@]2(c3ccccc3)C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 1140132976 RYOAVBIQJVMYHL-WBANQOEISA-N 454.571 1.505 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)c1 1157169220 KXLGFPDDEVBQFA-ZWKOTPCHSA-N 451.545 1.661 30 10 JDEE CCCC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1177113616 CLLOVPCSYRTDFB-FXAWDEMLSA-N 456.591 1.828 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(S(=O)(=O)N3CCCCC3)CC2)c1 1213829867 RCQMKWZGFKGTHY-UHFFFAOYSA-N 455.602 1.571 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)c(F)c1 1286294994 HJJADDBFVQUTMX-KBXCAEBGSA-N 453.515 1.590 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(C)COCCO2)c1 1286310086 BDKBOOJFLHBWEE-FDDCHVKYSA-N 487.582 1.042 30 10 JDEE C#CCCCn1c(N2CCN(CC(=O)Nc3cc(C)on3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286360507 UGSKBLYTTWNYQK-XMMPIXPASA-N 485.589 1.789 30 10 JDEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286771324 JEEJZXOAENPJKR-UHFFFAOYSA-N 468.558 1.856 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1286816525 MAWARACZTJNIPK-HXUWFJFHSA-N 472.571 1.866 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1286821479 MJRUZJHSHMAZFH-UHFFFAOYSA-N 485.614 1.792 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H]([C@@H]3CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1286825531 SDUJYSLECIHEQD-WAOWUJCRSA-N 454.593 1.394 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476.585 1.822 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccnc2OCC(F)F)CC1 1286490860 VDIZQANCQGWCBM-QGZVFWFLSA-N 487.511 1.282 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1O 1286557446 VKNLZPHSODVLID-NRSPTQNISA-N 491.614 1.934 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1286561086 BFFHMKXGTRNGFG-PTLVVNQVSA-N 476.622 1.122 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286672094 GMGZWDVQHACSLJ-IAGOWNOFSA-N 478.619 1.549 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC)c(OC)c1 1286726703 HTKZCURVMXZVTH-LJQANCHMSA-N 465.576 1.689 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC(N2CCCNC2=O)CC1 1286791249 WIZYRRUMAQKIAT-UHFFFAOYSA-N 467.574 1.586 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2cnccn2)cc1 1286797555 XDSLORNDJFERBZ-OAQYLSRUSA-N 499.597 1.651 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286822119 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C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1507957362 GWQJWDDLGGYITN-KRWDZBQOSA-N 475.619 1.806 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](COC)C1 1508071762 DNRYKLRVXZKBRL-INIZCTEOSA-N 461.592 1.322 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1508132543 ZKUCLXWLVZPVGC-UHFFFAOYSA-N 486.598 1.277 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1508142240 RLUGSHKMTMKXRJ-RBUKOAKNSA-N 468.620 1.795 30 10 JDEE C=CCSCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1508167946 LKDFBVAGZPGGPI-UWJYYQICSA-N 450.609 1.794 30 10 JDEE CCO[C@@]1(c2nnc(N3CCN(c4ccccc4C#N)CC3)n2CC(=O)NC(C)C)CCOC1 1516211858 BOGGYKVUEYMKQW-DEOSSOPVSA-N 467.574 1.653 30 10 JDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)CC1 1518654279 GAIUFYGNJVCDPK-UHFFFAOYSA-N 484.948 1.574 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)N1CCOCC1 1538982872 KOMQVEIPHSQHAZ-GOSISDBHSA-N 474.631 1.764 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2Cc2ccc(C(N)=O)nc2)c1 1539040089 LVOFKNOWRIDXOG-UHFFFAOYSA-N 466.505 1.939 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@]2(O)CCO[C@H]2C)c1 1539045187 AOZIKMPJQCTBEX-AVRWGWEMSA-N 460.538 1.860 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)CCCN2C)[C@@H]1CCS(=O)(=O)C1 1539200555 KORPSZOLAIJVIX-HXUWFJFHSA-N 484.626 1.474 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCN(C)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1539222711 XCTTYKZGJOQOPM-PKOBYXMFSA-N 488.589 1.522 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1539229441 CYURYDYCBWUAFU-SFHVURJKSA-N 490.582 1.034 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CC1 1539428604 UNUXQFKPPDWNSR-IBGZPJMESA-N 485.633 1.961 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(=O)(=O)NC(C)C 1539551944 DXYUXEUUMUWZLU-OAQYLSRUSA-N 493.659 1.558 30 10 JDEE Cn1nc2c(cc1=O)CN(c1nnc(COc3ccc(C#N)cc3)n1CC[S@](=O)C(C)(C)C)CC2 1554364784 HRPMOWLXDSGSBM-DHUJRADRSA-N 495.609 1.932 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1587766188 QCYIXCFOZNPZAR-RTWAWAEBSA-N 484.626 1.332 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1587807893 KKVBGQXTXXREAM-KRWDZBQOSA-N 450.609 1.531 30 10 JDEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1587865528 RACBKAGDEUWRJT-UHFFFAOYSA-N 471.005 1.917 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC)nc1OC)[C@@H]1CCS(=O)(=O)C1 1588053051 ANVMQBGSSGPOSV-MSOLQXFVSA-N 475.571 1.607 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1588065409 YESZZXHMUGJYKI-PSTIOWGYSA-N 490.651 1.610 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1588068967 CWSFVCKWWSBPGZ-RDJZCZTQSA-N 476.628 1.596 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1588073802 FEGUVGSQILSOEL-UXLLHSPISA-N 451.574 1.134 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCS(C)(=O)=O 1588280192 ILKDYEMOMWUKIC-UHFFFAOYSA-N 453.590 1.090 30 10 JDEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(O)CCS(=O)(=O)C1 1588288661 HCVBQXSSSMKNFS-SFHVURJKSA-N 471.352 1.856 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCNC(=O)c1ccco1 1588645659 AWWNHYNYMNCWMQ-HXUWFJFHSA-N 451.483 1.900 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1589007397 NDGQNRRJDLTRPS-JOCHJYFZSA-N 488.639 1.421 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1589069909 OSFSJWANXSLBFO-NVXWUHKLSA-N 492.623 1.617 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC)CC1 1589543673 AJFKFEVDFPSOBE-SQNIBIBYSA-N 467.592 1.440 30 10 JDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1593636906 UPFADAUXCQAAQH-IBGZPJMESA-N 489.621 1.563 30 10 JDEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1593671213 APYGRIACNIPKHW-UHFFFAOYSA-N 486.964 1.553 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCOC(C)(C)C1 1595489252 DRSSXCKIFDMJEO-UHFFFAOYSA-N 461.592 1.464 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2OCC)CC1 1595537398 QMPZGPWYOFXFSB-KRWDZBQOSA-N 453.547 1.257 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1595595490 WNHMKQNRAYTSGS-INIZCTEOSA-N 456.522 1.793 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1595649719 UGBGSXXKJZYPKQ-WBVHZDCISA-N 483.616 1.125 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1595884294 JLUJTHRVUJWTRW-PXNSSMCTSA-N 455.650 1.400 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O 1623721740 MWDWSAZZWGHZIM-UHFFFAOYSA-N 454.526 1.532 30 10 JDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 1627156685 GZNLDQXEHWNKOG-LAUBAEHRSA-N 454.552 1.575 30 10 JDEE C=CCONC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 1627703480 BLCDVZRNVIEROQ-UHFFFAOYSA-N 454.505 1.066 30 10 JDEE CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1639327783 CAZAYFLOXQULHF-IFMALSPDSA-N 456.568 1.490 30 10 JDEE COCc1ccc(C(=O)OC)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1667781012 HVAVDPIYCLFFGN-MRXNPFEDSA-N 453.517 1.753 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1689984068 KQXAVQWMZZIHJN-JTSKRJEESA-N 460.556 1.708 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1689986032 HKKJCCUHPOWHKO-MOPGFXCFSA-N 460.604 1.257 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1689997152 WRWPOBPRGCXPRY-PNLZDCPESA-N 491.639 1.447 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 1689997318 ZVNYTDIXKZOBRO-HXUWFJFHSA-N 471.583 1.222 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCS(=O)(=O)C1 1690088224 FFHUWNFQTDFMKO-WMZOPIPTSA-N 497.618 1.492 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCC(=O)NC(C)(C)C)CC1 1690119450 FVEHQPQVOLYYLJ-UHFFFAOYSA-N 452.559 1.776 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H]2CCCN2c2cc(NC)ncn2)CC1 1690148303 BURIPNAEGSPQPR-SFHVURJKSA-N 451.579 1.307 30 10 JDEE C#CCSCCn1c(N2CCN(C[C@@H]3CCCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690185675 CTYPHZIEZCPASW-NZQKXSOJSA-N 463.648 1.986 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)N2CCOCC2)CC1 1690411904 XKYYECUTTXXKSL-IBGZPJMESA-N 482.651 1.124 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)N(C)C 1690572162 VIUSFNCCGRQGAT-KRWDZBQOSA-N 485.607 1.403 30 10 JDEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1690631121 OEJCAPNWGRCIGD-UHFFFAOYSA-N 486.573 1.138 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccc2OC)CC1 1690659537 VYHCVVHBYUPPPH-UHFFFAOYSA-N 476.541 1.563 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCc2ccccc21 1690671167 PYOISMINTUACKP-RTBURBONSA-N 474.587 1.037 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1690674992 MSYWTSWOIZJCPH-KRWDZBQOSA-N 475.594 1.444 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1690714892 XTSPTYUUJFWVBK-KRWDZBQOSA-N 453.609 1.899 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1690723888 COUXAQWCYVTTRI-KRWDZBQOSA-N 476.559 1.618 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-n1ccnc1 1691003297 FQBAEDSRZJIMAF-FXAWDEMLSA-N 484.586 1.441 30 10 JDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC(=O)N(CCOC)C1 1705559299 WUUSPSBMLILQDV-KURKYZTESA-N 460.579 1.613 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705568130 IBPNDCLKPPJOQC-YUXAGFNASA-N 487.674 1.887 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCS(=O)(=O)CC)CC1 1705638276 FFKQPOPGSKWCCK-UHFFFAOYSA-N 497.625 1.255 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705656797 JOFDQCQFCUJYFO-KRWDZBQOSA-N 466.571 1.852 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1705725690 NOSJBONYFDBLQP-AZUAARDMSA-N 488.614 1.676 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705806065 WDSHQAWWGMJAGQ-MRXNPFEDSA-N 459.638 1.397 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1705843506 HHBUNGZANZVYSW-HZPDHXFCSA-N 472.612 1.489 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)CC1)C(C)C 1705869207 OYXJRCWALFPGGX-SFTDATJTSA-N 478.663 1.547 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)cc1 1705911733 ORIKLCOHFLZBJH-PXNSSMCTSA-N 474.587 1.820 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1705932452 DQTTZTVIYQYPQA-KDURUIRLSA-N 457.556 1.944 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](COC)C1 1705935390 PWMJVKVWPGMLNJ-HNNXBMFYSA-N 456.515 1.600 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705937985 KHKSJRDJRCFXGH-SFHVURJKSA-N 474.587 1.056 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1(O)CCOCC1 1708752079 BEPJMAKWMHSGMZ-UHFFFAOYSA-N 481.601 1.936 30 10 JDEE COc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CC2(O)CCS(=O)(=O)CC2)cc1 1711874544 IBXSAAZXZXIJOV-MRXNPFEDSA-N 463.560 1.401 30 10 JDEE COc1ccccc1O[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1711997116 AYZWWVIWHLAPQQ-QEEYODRMSA-N 466.539 1.806 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCCCC1 1722296626 STCNNRKXAXQQHB-ROUUACIJSA-N 452.625 1.333 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1722365720 NTGRSOQWTTVNJT-WOJBJXKFSA-N 476.574 1.830 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1722365925 QAKWNAAJOTVQBY-CVEARBPZSA-N 484.575 1.229 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NC(C)(C)C 1722375345 BKPGYZRTNJECOW-UHFFFAOYSA-N 469.615 1.924 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC(OC)CC1 1722397539 RNDSHOQFHYLMHU-LJQANCHMSA-N 461.632 1.533 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCOC[C@@H]2C)CC1 1722448421 BRRVVFBVWMBVAG-IBGZPJMESA-N 468.577 1.695 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1722523226 ICXPCKBJJCMMOY-IAGOWNOFSA-N 468.624 1.318 30 10 JDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1722686181 RFXGHDMRIUFDOX-QBPKDAKJSA-N 467.592 1.485 30 10 JDEE C=CCn1c(COc2ccccc2F)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1722691486 XBGZTLRFKAZCAW-KRWDZBQOSA-N 465.551 1.813 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1722695966 WNVXQLWVBDZVTM-IRXDYDNUSA-N 450.551 1.142 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1722729250 GVVQTYJCRUWINW-SVMVAKDDSA-N 461.588 1.637 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CCCO2)CC1 1722738520 KNEBETORZCFJSE-RTBURBONSA-N 485.676 1.926 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)CCO1 1722841056 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C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1286700247 LCPDBQGENLMFMU-QPHCHLROSA-N 481.644 1.951 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)N2CCC(C)CC2)C1 1286808697 DRMOQLZUZMIMNZ-NJYVYQBISA-N 496.678 1.513 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCSC2(CCOCC2)C1 1286820314 JHBQDSUICZHCHJ-QGZVFWFLSA-N 456.634 1.875 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(C)c2C)CC1 1286823466 NXEGRCPOEATZDK-UHFFFAOYSA-N 486.642 1.945 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2CCOC[C@@H]2C1 1286823771 QVSDDTVHJXTMSY-FQEVSTJZSA-N 475.615 1.596 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1286825721 VWMRUODDTZBUFD-RBUKOAKNSA-N 464.592 1.449 30 10 JDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(O)CCN(C(C)C)CC1 1294988983 HNFRHPRQXAKOQS-GOSISDBHSA-N 450.605 1.491 30 10 JDEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1 1300490961 CZZITUFLUJGTBP-QGZVFWFLSA-N 468.583 1.958 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300500906 FVLZDHUJYYOOTO-AZUAARDMSA-N 459.616 1.649 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN(C)C(=O)OC(C)(C)C 1300557236 REVHCUKJJGJBCQ-KRWDZBQOSA-N 466.608 1.608 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@]2(O)CCO[C@H]2C)n1 1300681604 VNWHUYMOIXQXCO-FDDCHVKYSA-N 451.531 1.363 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCCN2CCN(CC)CC2)CC1 1300733637 ZCCBJKZCBWBLEG-JOCHJYFZSA-N 471.650 1.513 30 10 JDEE C=C(Br)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C(=O)NC)C1 1300833751 BOKDHSDBHUFXLJ-MRXNPFEDSA-N 464.320 1.576 30 10 JDEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1301112431 WKEZELDAJJWCMP-HSZRJFAPSA-N 474.631 1.664 30 10 JDEE C=CCCCn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1301229144 IBQULWGQECOEOI-UHFFFAOYSA-N 480.613 1.927 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(CCC)CC1)C1CC1 1301326757 HWIYGCFRENXSDH-HXUWFJFHSA-N 466.652 1.888 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1C 1301349911 USRXPDCPYWCTEG-OAQYLSRUSA-N 485.614 1.894 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCCCC2)C1 1301569328 VXGKGKHSQZVPGC-INIZCTEOSA-N 459.638 1.650 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1301588082 VAXZJZQEPFBVFK-FQEVSTJZSA-N 487.630 1.447 30 10 JDEE Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CCC(C)C)no1 1304221074 GXUOOXPURFQFJR-GOSISDBHSA-N 465.580 1.722 30 10 JDEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)CC)CC1 1305643540 IAGOULNLXGIXLM-GOSISDBHSA-N 466.590 1.332 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCCO[C@H]2CCOC2)c1 1358902040 CWLKTTABMTYLOP-FQEVSTJZSA-N 461.526 1.987 30 10 JDEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1358925163 VPIDRAVREMTJDS-UHFFFAOYSA-N 450.543 1.638 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CN(C)CCC)C1 1358929877 KJDTXFCFMOEASX-OALUTQOASA-N 452.625 1.193 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCn2ccnc2C1)[C@H]1CCS(=O)(=O)C1 1358954939 AZQWOPROXQBLKS-MJGOQNOKSA-N 487.630 1.282 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C)n(C)c1=O)[C@H]1CCS(=O)(=O)C1 1358960086 WSBJGVMGZJDUGL-NRFANRHFSA-N 476.562 1.499 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)c(F)c1 1359023508 MQWYAZYVSXLUTD-IBGZPJMESA-N 456.522 1.339 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2COCCO2)CC1 1359047950 ZKCXWFFBPBOWRA-LJQANCHMSA-N 469.542 1.247 30 10 JDEE C#CCSCCn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1[C@]1(OCC)CCOC1 1359061423 BIUQANHHAZQNKL-QHCPKHFHSA-N 470.599 1.654 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(C)(C)CN1CCOCC1 1359100246 YVDBLOUQGLAETJ-HBMCJLEFSA-N 495.690 1.956 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1359294380 RTNWFKLVHRVSQT-QGZVFWFLSA-N 467.574 1.045 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)CC[C@H]2C1 1359305087 SMCMULBYBASGQK-KRWDZBQOSA-N 454.531 1.369 30 10 JDEE CC(C)N(C)C(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1360091650 AXGLTLUAOGZMOD-UHFFFAOYSA-N 467.574 1.900 30 10 JDEE Cc1cc(C)n(C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCS(C)(=O)=O)CCO2)n1 1492759356 CPUOESZBDYGENV-OAQYLSRUSA-N 483.598 1.970 30 10 JDEE CCNC(=O)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1502368116 BHTUJBNHQIZXCJ-OAHLLOKOSA-N 461.592 1.559 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1507628175 VJSZPLDDFUBLRA-ROKPMTFOSA-N 469.611 1.925 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1507628455 WRZIOUGDNJTNFV-GHTZIAJQSA-N 479.628 1.565 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(OC)cc1F)[C@H]1CCS(=O)(=O)C1 1507639877 MUCLBWYLOVUXFE-KRWDZBQOSA-N 475.546 1.223 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)n1 1507672205 VRMIRVFYZXVOJH-QGZVFWFLSA-N 496.515 1.536 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1507760025 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C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(SC)CC2)C1 1508126123 RAGVYMMESFDWQR-CVEARBPZSA-N 457.622 1.288 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1508130386 HUEUGCSDCFKVSG-WBVHZDCISA-N 478.550 1.372 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1508143144 JSNRHRFOXBVNCD-IBGZPJMESA-N 488.614 1.631 30 10 JDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN(C)S(=O)(=O)CC 1539172215 VOGVJRLCARERIY-UHFFFAOYSA-N 471.587 1.416 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1nnc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 1539200711 NOHLFVNHOQPBBK-HNNXBMFYSA-N 491.643 1.338 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1539229481 DVJLYGALJPAQDM-XXBNENTESA-N 455.584 1.168 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccccc1CN1CC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1539229908 AAYKSNCWEQECCY-FCHUYYIVSA-N 487.626 1.056 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC 1539416943 VZHAYUXUHHKKHH-QGZVFWFLSA-N 484.623 1.028 30 10 JDEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1539750612 BESWLZHIMXVOLZ-LJQANCHMSA-N 475.619 1.668 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1539751695 SGANYCFLGKQTEP-FQEVSTJZSA-N 491.662 1.445 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(C(=O)NC)c2)CC1 1539890727 SJFDRNCTACOAFP-HXUWFJFHSA-N 488.614 1.421 30 10 JDEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1539966452 JTRCOABNVZROBS-GOSISDBHSA-N 463.608 1.691 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1540074185 WKOBMBLBYZDGRW-IAGOWNOFSA-N 486.639 1.879 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@H](COC)C1 1540871170 FZUPFHVGTDXCCW-BZSNNMDCSA-N 494.593 1.129 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(CC(F)(F)F)CC1 1540877535 YOVBQIYKKRYULF-RDJZCZTQSA-N 460.501 1.379 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 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1.972 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1740995802 XUBUZAXRGHEQOV-ZLGIVVLRSA-N 484.619 1.376 30 10 JDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CCCC2)CCOC1 1746695494 GAHVFRQQLHWCNE-QUCCMNQESA-N 455.556 1.730 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)c1ccccc1 1748672745 XJUYLXLNFGJNBI-BJLQDIEVSA-N 460.604 1.594 30 10 JDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1748697455 IRPIEEPQWFBJHY-PZJWPPBQSA-N 457.623 1.599 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(O)c2)CC1 1748752416 WRNGYJIUFFOEQO-FQEVSTJZSA-N 474.587 1.057 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748811338 FAGHMHZXWYTNOO-GOSISDBHSA-N 457.604 1.626 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748820924 JITABQKTQWBJHH-MRXNPFEDSA-N 479.628 1.711 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)CN1CCN(CC)CC1 1748836347 VYHNIQSWOCKZEF-NRFANRHFSA-N 472.601 1.267 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2cnn(CCOC)c2)CC1 1748979593 GICUDLDPNIUOHA-UHFFFAOYSA-N 465.558 1.609 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1749033544 IKSOPSPWHIIGPD-IBGZPJMESA-N 470.574 1.626 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CC 1749067810 XSTNVMHUYASIQA-NNMXDRDESA-N 464.636 1.478 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)OCC)C1 1749666036 DYHBUCAJEOAWFE-AWEZNQCLSA-N 459.507 1.023 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1749705054 FVNCGKXYMBBJMI-PXNSSMCTSA-N 453.522 1.943 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCOC[C@@H]1C 1749723941 DFARFJGDYSVYPF-ZDUSSCGKSA-N 458.382 1.872 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749729101 BBGUXEMUYYBOQD-UHFFFAOYSA-N 492.577 1.259 30 10 JDEE C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1752419528 CQAZQRFSISDTDE-SBUREZEXSA-N 453.547 1.151 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCNS(=O)(=O)CC 1760111597 PGSHNGUGLNTCSP-INIZCTEOSA-N 471.587 1.462 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1c2ccccc2C[C@H]1C 1760175506 KZBFXSKOIVEPIK-XLIONFOSSA-N 458.588 1.132 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](CC(C)C)NC(=O)OCC)[C@H]1CCS(=O)(=O)C1 1760188864 QNQQFSMOOBFOJH-SQNIBIBYSA-N 494.618 1.017 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](CC(C)C)NC(=O)OCC)[C@H]1CCS(=O)(=O)C1 1760189580 VLNZUAZELOAFHD-AABGKKOBSA-N 495.646 1.960 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(Cl)cccc2OC)CC1 1760268976 UDSPBXWQLAUPRU-SFHVURJKSA-N 470.961 1.905 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(C(=O)NCC)CCC2)CC1 1760273598 ZSAOBPGJIRYWKF-PMACEKPBSA-N 486.617 1.274 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(O)c1 1760282059 VKZXXDQXUJFMFK-MRXNPFEDSA-N 450.586 1.897 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1760348542 BEPJNJZUOKLXCQ-UHFFFAOYSA-N 483.573 1.649 30 10 JDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1760349946 KEOJPSDAXDGTGD-UHFFFAOYSA-N 451.575 1.780 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCN(CC)C(=O)C1 1760514327 BIFNFJYKXGFQJG-UHFFFAOYSA-N 453.547 1.508 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1760520675 WJNGNEOUOBJFSA-GOSISDBHSA-N 468.606 1.155 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1760520937 DWIWICWDGKJVBK-XHSDSOJGSA-N 461.567 1.271 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1760521642 ZKJIVCYMXRVALO-HXUWFJFHSA-N 480.617 1.474 30 10 JDEE CC(=O)N1CCC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)C1 1760594986 CPUAVOJFXJYLLC-FXAWDEMLSA-N 488.614 1.857 30 10 JDEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)S(=O)(=O)CC)CC1 1767282380 CMMMXIBIAOJRQF-UHFFFAOYSA-N 489.602 1.767 30 10 JDEE COc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1CCN1CCN(C(C)=O)CC1 1768970768 BYMKBPKQKINTHH-UHFFFAOYSA-N 467.574 1.770 30 10 JDEE N#Cc1c(F)cccc1N1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)NCC(F)F)CC1 1770730927 HKZNTHKESHKGIV-UHFFFAOYSA-N 490.490 1.119 30 10 JDEE CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(=O)Nc1ccccc1C#N 1866594691 YZLVYTMWHBWSQK-HXUWFJFHSA-N 469.567 1.641 30 10 JDEE C=CCN(CC=C)c1nc(=NCCc2cnc[nH]2)nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]1 1871510340 XJBJPQBISGWPOZ-UHFFFAOYSA-N 455.548 1.241 30 10 JDEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(NCCCN3CCOCC3)ncnc21 1875230415 YNGXTIDEWWYZNC-UHFFFAOYSA-N 455.563 1.089 30 10 JDEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)c3c4c(nn3[C@H]3CCS(=O)(=O)C3)CCC4)C2)c1 1891409227 DUSNZQHERLNVLK-MSOLQXFVSA-N 469.567 1.929 30 10 JDEE Cc1c(C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)c(N2CCOCC2)n(C)c(=O)c1C#N 2040470227 MOUPVQAIMCIXCC-CQSZACIVSA-N 460.581 1.782 30 10 JDEE N#CCCNC(=O)CS(=O)(=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2074764726 CMKIQJBMXWFZQI-OAQYLSRUSA-N 499.545 1.813 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)[C@H](C(=O)O)C1 2267149415 MCNOADNMOCBOTB-ZDUSSCGKSA-N 467.353 1.588 30 10 JDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 2267504419 RRXRMIHZPMZFRS-HUUCEWRRSA-N 450.341 1.987 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1[C@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2267716290 KSDODOFJPADGBX-KBPBESRZSA-N 468.385 1.797 30 10 JDEE C[C@@H]1OC2(CNC(=O)OC(C)(C)C)CC1(NC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2281985035 JCTHDPDPBXEJCE-MFBUALDNSA-N 462.356 1.654 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2281986142 OONJLGBTPOZIBY-LSDHHAIUSA-N 464.372 1.447 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)[C@@H](C)C2)n1 2281994323 NPNQJICPAPHKRS-GXTWGEPZSA-N 458.290 1.731 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282177832 BFLMYDISXAZIED-BSDSXHPESA-N 459.352 1.791 30 10 JDEE C[C@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)[C@@H](C)CN1C(=O)OC(C)(C)C 2282318706 JPVHCTVBDPEJAN-KBPBESRZSA-N 485.416 1.133 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H]2CC[C@H]1[C@@H]2NC(=O)OC(C)(C)C 2282331829 SCOFJEMPJNUVLN-VNQPRFMTSA-N 482.412 1.396 30 10 JDEE Cn1ncc(C(=O)N2CC3(C2)CS(=O)(=NC(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2282559765 RAMPKRIVDUXXFG-UHFFFAOYSA-N 480.396 1.578 30 10 JDEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2282574674 RRTKYPXDBWVEEZ-CVEARBPZSA-N 464.372 1.474 30 10 JDEE CC(C)(C)OC(=O)N1CCn2ncc(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)c2C1 2283976306 BPLAZXSKHSJFMZ-UHFFFAOYSA-N 476.368 1.459 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2284135839 VCMFKCBOFXZNTH-XIRDDKMYSA-N 463.340 1.051 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1COCCN(C(=O)OCc2ccccc2)C1 2337202898 PZDWUFMUIKJQAI-GOSISDBHSA-N 484.362 1.487 30 10 JDEE Cn1nc(C(=O)NC[C@H]2[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)cc1B1OC(C)(C)C(C)(C)O1 2359279210 UOQWFSBGFOFMRG-JYJNAYRXSA-N 460.384 1.952 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)n1C 2362487542 WQLSMYBKVWRMMT-HUUCEWRRSA-N 464.372 1.128 30 10 JDEE COCCCC/C(=N/O[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C(F)(F)F)cc1 77286422 JPYDOBKDIIBGEW-DLEMZZBESA-N 451.394 1.135 30 10 JDEE in-vitro C[C@H](OCCn1cnc(I)c1I)/C(N)=N/O 304435263 RUKZXOANDBCNPK-YFKPBYRVSA-N 450.018 1.244 30 10 JDEE CON[N+](=O)CC(=O)N1CCCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 585088921 LHGZOJOFBHEMAX-FQEVSTJZSA-N 478.507 1.670 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)ccc1F 726949490 YZOJLVLCVJYKCA-UHFFFAOYSA-N 451.442 1.963 30 10 JDEE CC(=NNc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1)c1ccccc1O 1084011825 HRDTWPGSZQNEER-UHFFFAOYSA-N 461.529 1.725 30 10 JDEE C#CCOc1ccc(CNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 1211155325 WLWMHHATGJPIMA-UHFFFAOYSA-N 457.556 1.045 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)N(C)C 1286454621 LYIIPXSIVFWESH-OAHLLOKOSA-N 450.540 1.146 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccc2Cl)CC1 1286478419 ANDNFPMAWKESFJ-FQEVSTJZSA-N 493.033 1.262 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(F)cc2C)CC1 1286487752 XQBRTYFBIKNLAA-QGZVFWFLSA-N 490.605 1.544 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1286504302 LNZNWUNYPCIIIE-SFHVURJKSA-N 453.547 1.933 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1286628675 DWBLWCWNCMVJQR-JKSUJKDBSA-N 489.042 1.495 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc(-c2ccccc2)n1 1286726909 KPBARWOGYUDQSX-SFHVURJKSA-N 458.544 1.937 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(C2CC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)C(C)C 1286751478 QFQITQVFUAVMDS-JOCHJYFZSA-N 499.660 1.362 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1286786196 ZWRNZWIDNADMGA-UHFFFAOYSA-N 480.617 1.555 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccccc2)C1 1286810421 QZSVCLKQSFGISW-WOJBJXKFSA-N 477.587 1.471 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1286819082 ZHDLBXQXQJJBGI-UHFFFAOYSA-N 489.646 1.898 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@](C)(OC)CC1 1286825160 MSNREXMYGMNZJY-BBTUJRGHSA-N 456.609 1.998 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1286848876 JTQQCWFULKSIBH-GLEDVZQVSA-N 478.557 1.480 30 10 JDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1288232429 BOQZVTSKTJCVQH-UHFFFAOYSA-N 478.601 1.476 30 10 JDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCc1cccc(C(=O)NC)c1 1297270533 DUQJIQWRJOZZIY-UHFFFAOYSA-N 491.600 1.657 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN(C)S(=O)(=O)CC 1300302924 FNWCDCAWCKGBJN-KRWDZBQOSA-N 485.614 1.804 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C2CC2)c1 1300333868 DMHMAIRJOJWXTP-GOSISDBHSA-N 458.544 1.002 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1300493941 XIEYGIAFUJPNTP-HKUYNNGSSA-N 459.547 1.628 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1300538746 UYXXPVLHEVYTCW-LWYYNNOASA-N 487.626 1.756 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](F)COC 1300648295 BROGNQMLGZZCQC-RBUKOAKNSA-N 483.541 1.374 30 10 JDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)OCCc2sccc21 1300654057 RUZPGOXULLLSAU-YWZLYKJASA-N 467.617 1.524 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300892199 QFUKEGYFFXLVOK-CVDCTZTESA-N 473.622 1.028 30 10 JDEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301160738 WKXPGZNPDQXYDX-KRWDZBQOSA-N 456.522 1.746 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1301458195 PEUAFUVVMFRMON-QZTJIDSGSA-N 498.650 1.880 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1301569595 ZXAOREVRVJNLJR-QZTJIDSGSA-N 489.664 1.023 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1301587311 MVMXVJXCMYQIPS-OAHLLOKOSA-N 451.980 1.790 30 10 JDEE N#CC1(CS(=O)(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CCCCC1 1309060091 HXOCCTLQSXBSBL-UHFFFAOYSA-N 455.602 1.742 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 1309075560 ABFHWIRYRBYCGE-GOSISDBHSA-N 451.545 1.504 30 10 JDEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1314632699 AMZMKPRGYIXMAE-LEWJYISDSA-N 468.558 1.981 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1358959696 NYTOVXJJRVOGIN-INIZCTEOSA-N 455.544 1.250 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1358964925 KBFTXKGYOHOTTP-HXUWFJFHSA-N 451.552 1.948 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 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C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1507935294 PBIOFYOSZJUQAD-XHSDSOJGSA-N 455.537 1.081 30 10 JDEE C=CCCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1507968093 QAVYZNAKLKJPSC-LJQANCHMSA-N 492.621 1.937 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1508086058 KOKRMUOLQVNBQL-IAGOWNOFSA-N 478.594 1.529 30 10 JDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)C1 1516391153 HTGIQPMGUQJNEL-KQVJYAISSA-N 454.531 1.088 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCOCC2)nc1 1539232372 AHRXHBTTWUIBSU-UHFFFAOYSA-N 456.510 1.278 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCOCC1 1539325896 PQJACFPYTCEHFG-SFTDATJTSA-N 486.617 1.770 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccccc2OCC)CC1 1539432084 XNMJUVLCCKNGJZ-SFHVURJKSA-N 460.604 1.285 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1540004539 AVNNQMQLGZZJEU-QZTJIDSGSA-N 452.625 1.183 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1540073980 VWRDRJHLIMGSBT-UFYCRDLUSA-N 468.668 1.991 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1540868044 PWCOHGJMQHMVAA-UHFFFAOYSA-N 452.607 1.637 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)Cc1cnn(C)c1 1540869868 ZCTCERMMHSAFSY-UHFFFAOYSA-N 461.530 1.254 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(C)(OC)C1 1540871793 UIVSKBFGWHMPKC-OAHLLOKOSA-N 450.540 1.114 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1540933071 DKDIDSHEEYRQFX-UHFFFAOYSA-N 475.500 1.557 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN(C)CC(F)(F)F 1541675263 GFPBLBGKTOAOTG-OAHLLOKOSA-N 494.526 1.287 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCC(N)=O)CC1 1552884555 CGZXGZJKFBNAQY-UHFFFAOYSA-N 459.576 1.190 30 10 JDEE CN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)(C)C)CC1)S(C)(=O)=O 1554124279 FIQMLCPMRLULDA-UHFFFAOYSA-N 487.630 1.982 30 10 JDEE CC#CC[C@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 1557364298 VRJQBBYFGPLZRS-JOCHJYFZSA-N 455.580 1.697 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CCOCC1 1587638981 IOAYGGPMMMSPKU-FPOVZHCZSA-N 487.626 1.817 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N(C)C2CC2)c1 1587692440 DSDCHFGBJPRWJH-MJGOQNOKSA-N 484.626 1.719 30 10 JDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1588030309 SJTSDPGFGKNAAU-HKUYNNGSSA-N 492.001 1.525 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588051001 ZDMWUEMRVICDNU-DLBZAZTESA-N 489.602 1.617 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 1588053349 CYFKQZRTYYQXOY-MOPGFXCFSA-N 457.556 1.051 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588064466 INGMAJUJHBHLNK-QGZVFWFLSA-N 483.516 1.369 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588069018 FMIONYDJCWCFDE-WZONZLPQSA-N 476.599 1.899 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(COCC)cc1 1588139596 PXTYSGXOQOOHKF-OAQYLSRUSA-N 471.583 1.269 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1588768658 JFUFIVCCILPICD-QFIPXVFZSA-N 467.574 1.965 30 10 JDEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1588994712 ZFBDNNWDAGHAEY-UHFFFAOYSA-N 471.978 1.300 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)CC1 1589070279 RNLFABNDTGFXBK-SFHVURJKSA-N 478.619 1.621 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CC(=O)N1CCOCC1 1589578134 GKJORAJLWQRHNM-JYRKZWEQSA-N 463.579 1.278 30 10 JDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1593777396 ZFKOAYLKQXJVHE-RBUKOAKNSA-N 469.608 1.353 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)COC)CC1 1595475840 GSTJRZJKLSOCQM-IBGZPJMESA-N 470.574 1.632 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1595766582 UKPILPRKDNPXLX-SJLPKXTDSA-N 498.627 1.190 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@](O)(c3ccccc3F)C2)nnc1[C@@]1(OCC)CCOC1 1595830360 AMLSVVDJNSBNIX-XZOQPEGZSA-N 494.589 1.768 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1CC(C)(C)C1 1611704578 DUPFYGKTYMINPU-MRXNPFEDSA-N 472.619 1.918 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@](F)(C#N)C1 1618839817 GKUUOJNDTMMCBN-KRWDZBQOSA-N 487.355 1.707 30 10 JDEE CCOC(=O)c1cn(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 1639909476 BWRPWLDEBKKQOJ-UHFFFAOYSA-N 459.528 1.149 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CSC)c1)[C@@H]1CCS(=O)(=O)C1 1689988843 XIUQXMISHIRGJW-MOPGFXCFSA-N 473.624 1.767 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCn1ccnc1C 1690047620 VJOMUJXMFWJNFR-FQEVSTJZSA-N 473.603 1.059 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1690089413 AFEIWSCGXYJMGK-SFHVURJKSA-N 450.478 1.446 30 10 JDEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCNS(=O)(=O)CC)CC1 1690131059 SUDQWHQTDSATRC-UHFFFAOYSA-N 455.588 1.045 30 10 JDEE C#CCSCCn1c(N2CCO[C@H](Cn3cc(C)cn3)C2)nnc1[C@@]1(OCC)CCOC1 1690186426 PVVCOTDOJVMNMR-SIKLNZKXSA-N 460.604 1.707 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1690245002 BMOUAIXCSNHBPU-POAQFYNOSA-N 480.635 1.461 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@@H](C(C)C)C1 1690661625 BBWYGSCKDHSLNV-QGZVFWFLSA-N 475.619 1.710 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1690675755 DOGRFGQRZKTFCB-GOSISDBHSA-N 474.993 1.971 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1690723012 FCGYOYVWSGACKO-ULQDDVLXSA-N 451.593 1.614 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1690723425 RFVBUJOZNJTSJE-GOSISDBHSA-N 464.636 1.279 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-n2cccn2)cc1 1705494607 CIOMRURRZPLJTF-PXNSSMCTSA-N 469.571 1.303 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705561849 UZOPMYWCUBWDQN-FPOVZHCZSA-N 487.626 1.549 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1705569977 LNQWGXSVGBVCQS-NHCUHLMSSA-N 458.584 1.496 30 10 JDEE C#CCN(c1nnc(CC)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705570734 QIMAADLLHJJWHP-IRXDYDNUSA-N 453.609 1.970 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1705659990 KTCJQXXAJVKEEL-CVEARBPZSA-N 458.592 1.424 30 10 JDEE C#CCSCCn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1[C@]1(OCC)CCOC1 1705665260 OITVJIXDZISHJH-QHCPKHFHSA-N 485.614 1.117 30 10 JDEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@@H]1C)c1ccccc1 1705795903 UPODJZQVAYEINB-YQVWRLOYSA-N 460.604 1.915 30 10 JDEE C=CCn1c(COc2ccccc2OC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1705893190 QOHJJVCXDIPGEC-SFHVURJKSA-N 477.587 1.683 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H]1CCSC1 1705938343 VVGCXXDCPCHWEC-AWEZNQCLSA-N 455.631 1.812 30 10 JDEE C=CCSCCn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705949775 ITKIMXKXFJMBJO-FXAWDEMLSA-N 473.665 1.708 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1711419484 FHMUVCVTEVZWBW-UHFFFAOYSA-N 472.550 1.170 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Br)cc1 1722350794 DOPHKUHESGKAFX-QGZVFWFLSA-N 482.404 1.686 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1722367869 OPZVQGZDYWJSRN-DJIMGWMZSA-N 497.668 1.376 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1722368599 TYLFKGQXNISKMW-PMACEKPBSA-N 471.583 1.207 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1722370622 DBTPCMZJNFEPNB-SFTDATJTSA-N 490.674 1.395 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2CC(=O)N2CCOCC2)n1 1722429740 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C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(NC(C)=O)nc1)[C@H]1CCS(=O)(=O)C1 1740622073 TUJIFJMLKRHSFP-KRWDZBQOSA-N 453.528 1.302 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1740623337 ROAXKVFOPRKSAM-AWEZNQCLSA-N 465.601 1.774 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1740626712 VZBGZIDFCRDIIW-QFIPXVFZSA-N 492.605 1.641 30 10 JDEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCCCCO)CC1 1740692323 ITDUOSFKSSUOBB-UHFFFAOYSA-N 473.647 1.855 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCOC[C@H]2C)CC1 1740693113 UEOSUHQPBRIZEN-LJQANCHMSA-N 454.575 1.438 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2scnc2C)CC1 1740703406 RHMUBMUXOUGWAI-HSZRJFAPSA-N 472.615 1.904 30 10 JDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1740742218 HDKBRHVUWHTYHW-AWEZNQCLSA-N 472.413 1.695 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccnn1C)C1CC1 1740745291 QYBRIRRAVFLIPU-ZDUSSCGKSA-N 455.382 1.991 30 10 JDEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740746278 HKOFSZDXNRTKDT-UHFFFAOYSA-N 483.374 1.993 30 10 JDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740880843 PCWUXKTUYLBKKT-FPOVZHCZSA-N 496.616 1.507 30 10 JDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1740897359 DLDQIDQROAZPML-HXUWFJFHSA-N 478.601 1.757 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1740963480 LZLOSGOBVNARIR-XMMPIXPASA-N 466.542 1.805 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC(=O)N(C)C[C@@H]1C 1740986605 BYSKTJPREDYIEL-HOTGVXAUSA-N 465.551 1.825 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1740991748 CTELORLYMFMUHQ-JKSUJKDBSA-N 478.587 1.653 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(COc2ccccc2F)n1CCS(=O)(=O)N1CCSCC1 1741134606 DYALNRZHORQJCY-INIZCTEOSA-N 482.607 1.971 30 10 JDEE CCOC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1747285487 HDRZTBHBEQSOSU-WOJBJXKFSA-N 488.614 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C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(C)=O)C[C@H]1C 1749677449 ZNOUTZSBQDNKPT-OAQYLSRUSA-N 494.644 1.002 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCC(C)CC2)C1 1749713741 XMOKABHROYSXEY-NHCUHLMSSA-N 496.678 1.514 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2=CCCCC2)C1 1749713784 YMZQDCZAWAEMEG-MOPGFXCFSA-N 451.593 1.893 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749730866 SYCMUEYLCXPCAM-UHFFFAOYSA-N 482.632 1.110 30 10 JDEE CC1CCN(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CC1 1752263511 CYXUKSUQCFVISW-IBGZPJMESA-N 465.624 1.083 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@]2(C)COCCO2)c1 1760128127 ZLDKGMXCUUGSCP-XMMPIXPASA-N 466.542 1.262 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCCC2=O)CC1 1760138403 XSTWSYZJJOTPGN-LJQANCHMSA-N 478.619 1.006 30 10 JDEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1760183926 FCIOFZWZWKXYHX-INIZCTEOSA-N 488.520 1.501 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H](C)OC)CC1 1760266589 FHDUJMREXNAYFW-MRXNPFEDSA-N 471.558 1.972 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCS(C)(=O)=O)CC1 1760266786 MGKKIDFZCSBSBL-UHFFFAOYSA-N 497.419 1.436 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC2CCCCC2)CC1 1760268877 QQINEKUEMWEJLC-HXUWFJFHSA-N 456.591 1.934 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCCC[C@H]2CC)CC1 1760269471 JCFUIZFCAGMDOL-NHCUHLMSSA-N 490.674 1.411 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1760270237 VFTPLKLHCJOTAQ-IRFCIJBXSA-N 490.674 1.266 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1760521829 FDIMJKSCIBEZEZ-FUHWJXTLSA-N 463.560 1.261 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1760526339 LJFLVIMCTCSHLV-UHFFFAOYSA-N 453.547 1.462 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)OC)CC1 1760527596 BNXPAPNOPPZTFX-UHFFFAOYSA-N 458.519 1.446 30 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30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccccc2CO)CC1 1301501271 UORCPDPQFMIFHA-IBGZPJMESA-N 473.599 1.359 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCOCC3)nc2)C1 1301534966 GQCGBPSJAWAZIJ-LJQANCHMSA-N 455.563 1.478 30 10 JDEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCS2(=O)=O)c1 1304181138 BKENIMKXYPWIPM-IBGZPJMESA-N 460.560 1.238 30 10 JDEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1312467910 CWCQSASFLFAFJF-OAGGEKHMSA-N 453.540 1.681 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H]2NC(=O)CC2(C)C)c1 1358902596 SXNUEOMVDWIOAY-MJGOQNOKSA-N 450.543 1.753 30 10 JDEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1358913286 KEOXFEAZGBCIOQ-VQTJNVASSA-N 490.605 1.731 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC(C)(C)C1 1358913755 XXGPGWCUZFJJJC-QGZVFWFLSA-N 453.609 1.808 30 10 JDEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1358931157 QJYCBQXKMFQPAL-UHFFFAOYSA-N 482.976 1.402 30 10 JDEE C#CCCCn1c(CC2CC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1358932543 OBUJLWNPNRUFLC-SQNIBIBYSA-N 463.604 1.771 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1358955721 RTWBMNKTEZGIBZ-INIZCTEOSA-N 485.957 1.649 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358955938 XDYBSBUHIPZMHC-RBUKOAKNSA-N 464.636 1.308 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1358964897 JRKNWAUBAOSIGO-QFIPXVFZSA-N 478.578 1.897 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1358967412 KAAHHZUHFANZIB-ZWOKBUDYSA-N 480.537 1.955 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1359126532 SDCDCWMBQZIOID-CYBMUJFWSA-N 467.514 1.829 30 10 JDEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1359251852 XGJGSJDUWOFIMU-VGOFRKELSA-N 497.618 1.291 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccc(C(F)F)n1 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C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCOCC1 1507691503 IUBUBAZRTWJXLJ-OALUTQOASA-N 462.595 1.767 30 10 JDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCN(CC)CC2)nc1 1507694169 KKLJNTDENNRKDZ-UHFFFAOYSA-N 450.591 1.445 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1507720189 DVKIXPQHPNGLNG-FQEVSTJZSA-N 452.559 1.632 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCS(=O)(=O)NC)CC1 1507735712 FTQKZDBZXKGXHR-MRXNPFEDSA-N 492.577 1.072 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccc(F)cc1 1508039609 OTYMUXHNDWQLBO-KKSFZXQISA-N 452.552 1.866 30 10 JDEE C#CCN(CC#N)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CCC 1530063697 VVYYBJZATHHNII-UHFFFAOYSA-N 457.556 1.385 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccncc2)C1=O 1530267303 XPTXPLUKFWYKGW-INIZCTEOSA-N 457.487 1.179 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1539229484 DWRXNVSYJDYXJX-RTWAWAEBSA-N 490.651 1.515 30 10 JDEE 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DRAOGDGSDPHUAT-HHHXNRCGSA-N 491.640 1.978 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(N(C)C)cc1 1588386155 NDWYMYMOHUBVOV-FQEVSTJZSA-N 460.604 1.379 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(C)COCCO1 1588695807 HYDMHWXSBBXBTI-IXFSTUDKSA-N 463.579 1.940 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCO[C@@H](C)C2)n1 1588723359 LROUYSNTCCWCHI-OALUTQOASA-N 452.563 1.976 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H]2CCC(=O)N2)CC1 1588780721 VXXSIZNBYQWNMD-MRXNPFEDSA-N 473.375 1.750 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1589068334 AITNAUAMNGVDRK-HXUWFJFHSA-N 487.651 1.899 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CCCS2(=O)=O)C1 1595699107 BYJZBIZAOWQNHU-GOSISDBHSA-N 477.587 1.779 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1595830421 BNHGPAJFHIRICE-WZONZLPQSA-N 497.662 1.662 30 10 JDEE Cc1nccn1CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1612443555 GHGPACUDRKIJBL-DYESRHJHSA-N 498.613 1.933 30 10 JDEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(NC3CCN(CC(N)=O)CC3)C[C@H]1C)C2=O 1615246918 LQSJGUZKMVLUJF-SFDCACGMSA-N 477.945 1.703 30 10 JDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCCS1(=O)=O 1616485143 CPJDJKTZTGDJNW-ROUUACIJSA-N 475.571 1.952 30 10 JDEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1643322412 DAOHVRGLVJDZBO-UKPHBRMFSA-N 457.474 1.982 30 10 JDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1650819910 WHCOJJIYEFUUND-XDNAFOTISA-N 450.536 1.498 30 10 JDEE C=CCN(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 1652734974 LPJOQCPMVUDYSI-SFHVURJKSA-N 455.602 1.475 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCCN2CC)c1 1689873785 WSKFTFYJPTZQLT-OAQYLSRUSA-N 463.586 1.941 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1689916335 HIDDAMSNQIAUAG-LJQANCHMSA-N 458.588 1.714 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1689929952 HXUAPEBCHJKCRM-OAQYLSRUSA-N 498.653 1.971 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCC(C)(C)C)CC1 1689932311 XSVRYTAIIALSIN-LJQANCHMSA-N 466.652 1.583 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1689988770 VZNRIRKKRPJHGQ-LJQANCHMSA-N 453.572 1.642 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1689989001 AECCXMYOYJNWLU-MOPGFXCFSA-N 462.597 1.164 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1689998430 LVCRGRBDCZWQDF-NSHGMRRFSA-N 475.571 1.081 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCOCC2(C)C)CC1 1690113380 HYNRXVLCPUAYGJ-DEOSSOPVSA-N 460.623 1.185 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCCOCC)C1 1690229435 WBUMKNFLXAUWQZ-GJZGRUSLSA-N 463.398 1.721 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1690241111 OOCXJWVULUBHSF-UXHICEINSA-N 456.572 1.880 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1690313084 KYRWGKRXPXAIRS-ACRUOGEOSA-N 497.662 1.847 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1690497221 KQAJFKMSPBGLKF-GOSISDBHSA-N 478.594 1.837 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(C(C)=O)CC1)C1CC1 1690544982 GWRPGGAFQJZQHS-IBGZPJMESA-N 466.608 1.024 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1690676060 OPCXWVBVIWASTD-RHGYRFJNSA-N 471.558 1.941 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690676381 YEBSYRJRXRVWHT-UHFFFAOYSA-N 497.021 1.673 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1690723211 LEJUFLHEGMFFAJ-IBGZPJMESA-N 457.560 1.561 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1690723852 BZYHIDWURUSOTK-IRXDYDNUSA-N 450.565 1.848 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1690724839 XDYAECOQTNRJTD-SJORKVTESA-N 469.608 1.734 30 10 JDEE C[C@H]1CN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C#N)c2)CCCO1 1693839788 IFHHXDGUNSKTER-RBUKOAKNSA-N 489.646 1.897 30 10 JDEE COc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)cn1 1697445432 FSBLKKVFWQHWQT-UHFFFAOYSA-N 460.542 1.479 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CCCN1c1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1705560513 LEXQQXYKCUTQEA-GUDVDZBRSA-N 459.620 1.821 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(OC(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1705568022 FUHQVWXQBMYPAY-OAQYLSRUSA-N 497.625 1.997 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCC1(O)CCOCC1 1705626914 NMJSKGQZUBVJIF-UHFFFAOYSA-N 452.515 1.612 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)CN2CCOCC2)CC1 1705651524 ZUOAGKWRUZPCMU-HXUWFJFHSA-N 498.603 1.930 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1705656089 UDBMWBVULJZEEQ-JKSUJKDBSA-N 484.669 1.973 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccsc1 1705674622 NFFZIGNOSXFODX-IOMROCGXSA-N 479.628 1.572 30 10 JDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1705736042 ZUBCQAGDFOKJCP-SFHVURJKSA-N 480.591 1.405 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCSC[C@H]1C 1705904550 RPCDBUDFNQEADG-CVEARBPZSA-N 466.608 1.830 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@@H](C(=O)OC)C1 1705938292 UHEUDWBGMZPIRB-OAHLLOKOSA-N 452.508 1.596 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1705938834 KUTJKUCKCZSRBT-HQRMLTQVSA-N 478.619 1.850 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@](F)(C#N)C1 1711019578 GQTRHBHSTYVJPB-IBGZPJMESA-N 450.496 1.050 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1722291781 GUCSBKMUEDJCMQ-OAHLLOKOSA-N 456.510 1.675 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC)c1 1722309026 ISSMIQUNQWDOMV-GOSISDBHSA-N 460.560 1.077 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1722350788 DNUUXFFPFFLRRZ-HXUWFJFHSA-N 488.614 1.211 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccco1)N1CCCCC1 1722351065 GENUEYXYPXVDOS-UYAOXDASSA-N 476.603 1.501 30 10 JDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1722357768 AERPIOVVNFYDCP-SFHVURJKSA-N 479.990 1.525 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1722366971 UNLRLGWAHHWXLU-FQEVSTJZSA-N 453.572 1.486 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCCC2=O)c1 1722390618 SSQIFMITNDBSBF-SFHVURJKSA-N 468.583 1.526 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cccn(CC)c1=O 1722390664 VMBXWYKKWUWFLO-UHFFFAOYSA-N 492.605 1.888 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(NC(C)=O)nc2)CC1 1722446133 OIJFYOVANVNKFX-UHFFFAOYSA-N 459.514 1.103 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2)C1 1722460026 BGBNMQGPJMEXQP-WOJBJXKFSA-N 475.640 1.971 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722509791 QYDJGTUKWJJQFD-YLJYHZDGSA-N 457.583 1.183 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1722692522 PFBIVOOWZNTYQJ-FQEVSTJZSA-N 474.569 1.938 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722696209 FJXRTDRZSVKRCZ-AWEZNQCLSA-N 469.937 1.433 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1722726462 ACIUKAJYSFPOKF-UHFFFAOYSA-N 499.572 1.366 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1722728587 XSCOPGCAGKHXQL-UHFFFAOYSA-N 485.545 1.437 30 10 JDEE CCCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCS(=O)(=O)N(C)C)c2ccccc2c1=O 1728161754 IEIOGIZJULZQFP-INIZCTEOSA-N 486.602 1.552 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OCC 1740549285 DWEBBAPSTJLJII-PXNSSMCTSA-N 461.588 1.824 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCCN2CCOCC2)CC1 1740592588 ZZIWXPSYKMABBW-NRFANRHFSA-N 463.648 1.922 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(CCOC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740623170 PLADAZOQPLXNRK-QZTJIDSGSA-N 463.604 1.453 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccsc1)[C@H]1CCS(=O)(=O)C1 1740625033 CLWOWWUTWFPUMK-SJORKVTESA-N 468.626 1.111 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(NC(N)=O)cc2)CC1 1740706072 PILNZQWVOZJCOP-IBGZPJMESA-N 465.558 1.677 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1740958586 RDWWDRKPOKWOBO-QGZVFWFLSA-N 471.949 1.147 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740968910 HJDGKUCOBKUJDE-IPMKNSEASA-N 490.582 1.154 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCN(C)C(C)(C)C2)C1 1740985054 ATLYCKOSGINKQK-ACRUOGEOSA-N 462.639 1.809 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1740993931 GEQQZKRHZXILGS-SJORKVTESA-N 479.628 1.876 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2F)CC1 1741003347 SIHLQVBNRYPIKX-MRXNPFEDSA-N 466.608 1.960 30 10 JDEE Cc1cc([C@](C)(O)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)c(C)o1 1742093211 DXEKZCHXONCAGR-YSGRDPCXSA-N 451.524 1.740 30 10 JDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@H]2C)CCN1S(C)(=O)=O 1743116207 HFGXCRKNVMQJKG-MOPGFXCFSA-N 487.630 1.683 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO1 1747706283 AOUXPCAWJCRULS-OALUTQOASA-N 460.560 1.298 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCC(C)CC1 1748672616 VRFLVVNYXILWFH-WOJBJXKFSA-N 466.652 1.581 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCOC1=O 1748945167 MHEBKPYKQXNNOB-SFHVURJKSA-N 475.546 1.801 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(C(=O)NC)c2)CC1 1748977563 ISXQYGKJBMJLJD-VWLOTQADSA-N 466.586 1.482 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CCCN(CC)S(C)(=O)=O)CC1 1748984199 IUQNUKIZBHUFOV-UHFFFAOYSA-N 481.626 1.920 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCO[C@H]2C)CC1 1749000432 WEMFLIWXFIVVPZ-JXQFQVJHSA-N 474.606 1.645 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(CC)cc2)CC1 1749014112 DZPJIWZCLQXVPZ-JOCHJYFZSA-N 483.638 1.951 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCn2c(nc3c2CCCC3)C1 1749087629 XLNDRZJFGCUXBJ-ZDUSSCGKSA-N 484.424 1.892 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(CCS(C)(=O)=O)C1CC1 1749114427 BXJDBUSEURJVRX-WMZOPIPTSA-N 451.593 1.509 30 10 JDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1749223438 UDSADVUBQJUOMY-UHFFFAOYSA-N 481.557 1.080 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccsc1)C1CC1 1749520056 XYPDJBABLCZTOX-YLJYHZDGSA-N 467.617 1.735 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1749651225 PZPGBNXAJMZPSN-ZDUSSCGKSA-N 474.509 1.846 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C2CC2)C(=O)C1 1749658443 QDRYZIQRAGODOW-UHFFFAOYSA-N 477.338 1.960 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C(=O)OC)CC1 1749659145 VXRMVWYQODMHBV-UHFFFAOYSA-N 469.365 1.960 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1749677466 ZVIKGMSTDGQKFV-QHCPKHFHSA-N 465.646 1.970 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1749738213 JAMWEOHVRBUXLK-ICSRJNTNSA-N 473.599 1.968 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCN1CCOCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760183683 CSADSWQFODZUPM-GOSISDBHSA-N 475.590 1.822 30 10 JDEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCS(=O)(=O)CC=C)[C@H]1CCS(=O)(=O)C1 1760184645 XUADNPDQBOJLCT-SFHVURJKSA-N 488.591 1.919 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1760280895 JOSVGLWUDQMJBK-DLBZAZTESA-N 499.659 1.277 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1760312955 HDTJYSCWXZIUBD-BZSNNMDCSA-N 453.609 1.755 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1760507365 APOOJPREBKZKBK-GOSISDBHSA-N 460.604 1.540 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1760525921 WQSVNXGRERTBMP-UHFFFAOYSA-N 463.542 1.738 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@](C)(N2CCOCC2)C1 1760528264 XICUUPIUZXSSFS-DEOSSOPVSA-N 470.574 1.469 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760552358 LFBOTPPBFJLDRV-UHFFFAOYSA-N 488.570 1.075 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCOCC2)C1 1760580924 FNXLSAQZSWKAGP-WIYYLYMNSA-N 451.575 1.842 30 10 JDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1763265753 ACQOTLWLEWFBMU-AVBTWRTFSA-N 478.475 1.861 30 10 JDEE CCCCN1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1764144579 HGFZRPZHBATNRP-RCCFBDPRSA-N 453.613 1.272 30 10 JDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](C)CN1CCN(CC)CC1 1767934186 BVZBWXNJEAVEIQ-OAQYLSRUSA-N 481.649 1.681 30 10 JDEE CN(C)C(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1768453193 BMEPVQCYBYJRCZ-GOSISDBHSA-N 460.498 1.463 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)NCC)CC1 1772660080 CXOQYYWGXNGDKT-UHFFFAOYSA-N 490.586 1.169 30 10 JDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)Oc3cccnc3NC(=O)N=c3nc[nH][nH]3)cc21 1858861153 NNKSTEXWMUHQAQ-ZDUSSCGKSA-N 463.454 1.827 30 10 JDEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 1861602076 XIJMEFIWVARNGQ-GMAHTHKFSA-N 463.534 1.990 30 10 JDEE C=CCn1cc(OCC(=O)OCCOC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870476585 YAZWYUWCJPBBAK-UHFFFAOYSA-N 471.554 1.934 30 10 JDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(NC(=O)OC(C)(C)C)COC1 2255831762 AVCKWUQVJHAZGA-UHFFFAOYSA-N 453.370 1.774 30 10 JDEE CC1(C)OB(c2ccc(S(=O)(=O)N(Cc3ccccc3)CC3(O)CNC3)s2)OC1(C)C 2255949130 UMEPWPXBGMGRRJ-UHFFFAOYSA-N 464.418 1.573 30 10 JDEE C[C@@H](C[S@@](C)(=O)=NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267279638 KYKQKDBEENWZBK-PXTGODKCSA-N 468.385 1.927 30 10 JDEE CC(C)(C)OC(=O)N1CC(F)(CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267702536 IGKUKBNLSHLYES-UHFFFAOYSA-N 471.360 1.618 30 10 JDEE CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2267713022 JZRPVKFURIPCFV-GOSISDBHSA-N 460.409 1.614 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2268634429 YEMLVISJOPXVHR-HNNXBMFYSA-N 451.304 1.832 30 10 JDEE CN(C1(CNC(=O)OC(C)(C)C)CCC1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282316359 BHQZYUUOSCUWLH-UHFFFAOYSA-N 485.416 1.182 30 10 JDEE CC(C)(C)OC(=O)N1CC(CO)(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282323712 FXVLPKRFPGTWQC-UHFFFAOYSA-N 486.371 1.385 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)(CNS(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282496006 UVORYLWVYGEUHZ-UHFFFAOYSA-N 482.408 1.387 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC[C@@H]1CO 2282614275 QRRAMLAPSHYXHG-GDBMZVCRSA-N 462.356 1.124 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1 2282619695 VGEXOAYGYVDXLV-GJZGRUSLSA-N 461.372 1.443 30 10 JDEE COC(=O)[C@@H]1C(=O)C(=CNC[C@H](C)NC=C2C(=O)CC(C)(C)[C@H](C(=O)OC)C2=O)C(=O)CC1(C)C 2297329434 ALRYJPRJFPKDTE-AGRHKRQWSA-N 490.553 1.037 30 10 JDEE C=CCN1CCN(C(=O)C2CCN(C(=O)N3C[C@H]4C[C@@H](C3)[C@H]3CCCC(=O)N3C4)CC2)CC1 2297737020 ZZZYRHXYJFQYHI-BAGYTPMASA-N 457.619 1.481 30 10 JDEE Cc1ccc(OC[C@@H](O)Cn2c(NN=Cc3ccc(O)cc3O)nc3c2c(O)nc(=O)n3C)cc1 2327754086 LBPSZBIAUDDMKV-INIZCTEOSA-N 480.481 1.441 30 10 JDEE Cc1ccc(OC[C@@H](O)Cn2c(N/N=C/c3ccc([N+](=O)[O-])cc3)nc3c2c(=O)[nH]c(=O)n3C)cc1 33601405 KTXALCOYRWAWHA-PKOLSWDWSA-N 493.480 1.526 30 10 JDEE CCCCN/C(O)=N/S(=O)(=O)c1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)[nH]2)cc1 71528447 QCFKFBDAJHSSIB-UHFFFAOYSA-N 458.500 1.805 30 10 JDEE CC(=O)OC[C@@H]1O[C@@H](O[C@H](C#N)c2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 97975811 QTSUMWNLKZZILY-VEYVBMQYSA-N 463.439 1.351 30 10 JDEE CCOc1cc(/C=N\n2c(S)nnc(CCC(=O)O)c2=O)cc(Br)c1OC 169883593 YIYCCCUUPAJCAD-LSCVHKIXSA-N 457.306 1.996 30 10 JDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 488851099 IBOPMGMMNGJTQP-UHFFFAOYSA-N 485.515 1.389 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)CC1 512705066 BYGLDDYWSFCHHH-UHFFFAOYSA-N 478.521 1.826 30 10 JDEE COc1ccc(N2NOC(=O)/C2=C\C(=NC(=O)c2ccccc2)C(=O)N2CCOCC2)cc1 585673776 SDUOSGPJWQDDOS-MKIGIDJNSA-N 450.451 1.502 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1C[C@@H]1CCCO1 590915659 WOAZQLZFZMIYRV-AWEZNQCLSA-N 473.938 1.276 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(OC)c(F)c1 729672207 BWAZIKOBMDLFPJ-UHFFFAOYSA-N 475.505 1.500 30 10 JDEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCCC)sc(=Cc3cnn4ccccc34)c2=O)c1 729672334 ITSSLABGSIZEHM-UHFFFAOYSA-N 467.554 1.947 30 10 JDEE C=CCn1c(=C(C#N)C(=O)c2ccc3c(c2)OCO3)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 917761985 ITGQKOLQFGGCNJ-UHFFFAOYSA-N 483.509 1.791 30 10 JDEE COc1ccc(C(C)=NNc2nc(SCC(=O)Nc3nnc(SCC(N)=O)s3)n[nH]2)cc1 1084377174 HACGJNVEBHLLEI-UHFFFAOYSA-N 493.600 1.809 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3cc(Br)ccc3OC)CC2)CC1 1175514662 CPZNXLHYYSHJNG-UHFFFAOYSA-N 456.362 1.101 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N(CCC(=O)OC)CC(=O)OC(C)(C)C)ccc1F 1175900746 DWISEMUDPORVDS-UHFFFAOYSA-N 458.508 1.637 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CC[C@H](O)C1 1286271848 WEINHZVIZQFCGO-NQIIRXRSSA-N 459.554 1.998 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1286388918 WVROFSSSBXQVFM-SFHVURJKSA-N 484.582 1.794 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1286391813 DTNKRYMZLDITBW-ZHRRBRCNSA-N 480.537 1.579 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1286394205 HRSMDNOVQGPSEA-HXUWFJFHSA-N 482.614 1.664 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286394443 OPHWKPZXYJYBIM-FPOVZHCZSA-N 489.617 1.603 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc2[nH]ccc12 1286448546 XSSYNDAVLNPZPS-HXUWFJFHSA-N 456.572 1.795 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC2(CS(C)(=O)=O)CC2)CC1 1286494197 SPLAZRNICVZYOZ-GOSISDBHSA-N 463.604 1.310 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCCCCC2)C1 1286787882 LCKMLWCHJIGYPW-KRWDZBQOSA-N 451.593 1.412 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(F)(F)F)CC1 1286788623 ZWSLBIMMBJCAQP-OAHLLOKOSA-N 494.540 1.082 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(C)C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286794167 YJZWLSXZPJICHL-HDICACEKSA-N 461.611 1.881 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1286802379 SXTLXPDORVUJFZ-FUHWJXTLSA-N 480.612 1.565 30 10 JDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1300622409 XTKREQGVPJTRNE-INIZCTEOSA-N 452.490 1.949 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1300928734 MXUVOQOBMYLWIZ-OAHLLOKOSA-N 450.540 1.452 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2csc([C@@H](C)OC)n2)CC1 1301085863 CCIQOHZXHZVWNP-WBVHZDCISA-N 482.632 1.980 30 10 JDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1301272565 HYIKTTKYDMUCAW-ZWKOTPCHSA-N 462.620 1.780 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)Cc1ccccc1C2=O 1301475058 LBMIYKCQTSTWRY-UHFFFAOYSA-N 450.543 1.744 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1301483199 KEKLPCRVUUQKKG-UHFFFAOYSA-N 490.406 1.220 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)NCC)CC1 1301514286 IPLGVDYIWMLQPV-UHFFFAOYSA-N 455.563 1.573 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCc2ccccc21 1303835921 GMGUVRUIPKTIMI-IIBYNOLFSA-N 461.567 1.783 30 10 JDEE CCC[C@@H](C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1306547664 DPXFGLZPRCDGQX-IEBWSBKVSA-N 479.589 1.375 30 10 JDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1311902794 JHVSNUJKZUFNSL-SFHVURJKSA-N 458.563 1.269 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1358958153 IQKHEQJBFFHNMR-SFHVURJKSA-N 484.582 1.679 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CC(C)(C)N1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1358960025 UXXJECKYOLUWBQ-LJQANCHMSA-N 486.642 1.856 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(F)c1 1358994945 ZRDZISVLEVJSNB-FQEVSTJZSA-N 475.546 1.292 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](Cc1ccccc1)OC 1358994963 ZXUWBXUISXZKQP-VXKWHMMOSA-N 485.610 1.332 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@H]1C 1359017052 SMNXSOWRXOTVIA-QUCCMNQESA-N 475.590 1.680 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1359035312 QNLCGTAZWXBSKL-CLOONOSVSA-N 488.633 1.688 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@]2(N(C)C)CCSC2)CC1 1359043669 CVHMPJSIAIXFFG-JOCHJYFZSA-N 454.604 1.138 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1359048089 DWRYKWIGHULYLY-ZWKOTPCHSA-N 455.588 1.449 30 10 JDEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359224776 CGPCWKKLYYTSMI-UHFFFAOYSA-N 468.558 1.474 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359296165 ZEPAPIIBHCSZPL-UHFFFAOYSA-N 466.586 1.885 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1359328969 UMXQGYZDQKZTOI-IBGZPJMESA-N 467.548 1.391 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1359343733 ZNVOSRRBDJDTSE-NVXWUHKLSA-N 499.684 1.944 30 10 JDEE Cc1ccc([C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)N(C)C)cc1 1361134630 GAVPTLKGZBQCRA-PLMTUMEDSA-N 463.583 1.942 30 10 JDEE CN(C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1)S(C)(=O)=O 1503544201 GSDVFKZBHZQXRT-LJQANCHMSA-N 488.614 1.466 30 10 JDEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1507596008 YLSXNGNXIYUZKN-QGZVFWFLSA-N 462.348 1.984 30 10 JDEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCN1CCN(C(C)=O)CC1 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CC(C)[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1512364678 DZOMDGRZMYHSNE-SBUREZEXSA-N 467.578 1.184 30 10 JDEE CCn1cc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cn1 1515772121 HFWNSLHBBKIEPB-LJQANCHMSA-N 498.613 1.863 30 10 JDEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)CC1 1517667398 DHXTXKOFRMRUTR-UHFFFAOYSA-N 460.560 1.534 30 10 JDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1539066173 QCWDCTHDMUSTRF-QUCCMNQESA-N 455.607 1.602 30 10 JDEE C#CCN(c1nnc(C(C)C)n1C[C@H](C)CN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1539201628 AZQNQDHYUCQDBB-WOJBJXKFSA-N 450.653 1.302 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1539203957 WRSDNSHNHVISGE-IBGZPJMESA-N 473.599 1.880 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539220001 GKSFOGWPVBLKPF-UFYCRDLUSA-N 465.620 1.115 30 10 JDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCN(C(C)C)CC1 1539363768 VLOGEMYRGADVPR-UHFFFAOYSA-N 473.647 1.933 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)N2CCOCC2)CC1 1539427389 DCUUPVFWQJKTNX-OAQYLSRUSA-N 465.602 1.623 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[C@@H]2C)CC1 1539468795 ITQXEJULZYCKJD-XYJFISCASA-N 450.609 1.290 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)CC1 1539488567 MAVUQDRWCKTUBE-UHFFFAOYSA-N 491.596 1.417 30 10 JDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539500418 YCRSUFZRYZVEKT-HNNXBMFYSA-N 464.573 1.690 30 10 JDEE C=C(Br)Cn1c(N2CCN(c3nccc(OC)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1539610226 WOICSIHUHLYRBD-HXUWFJFHSA-N 494.394 1.964 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1540872740 ZITSDXKKXSNEGK-FXAWDEMLSA-N 458.994 1.981 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1540875507 OFEIOTRZOUAQEI-UHFFFAOYSA-N 498.584 1.243 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](CNC(C)=O)C2)cc1 1540877767 FGEAYTDSHQKUPY-UXHICEINSA-N 454.531 1.184 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1540897883 UXFKJVHKOJRYQW-JOCHJYFZSA-N 461.588 1.423 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1540901101 SKNPCFGQCREEDV-NQIIRXRSSA-N 489.646 1.253 30 10 JDEE CC(C)(C)Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCNS(C)(=O)=O 1541182288 IDCDWTXKIVOIDK-UHFFFAOYSA-N 473.647 2.000 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)CC1 1558073779 ZGZJPYQFUDROBU-UHFFFAOYSA-N 451.936 1.325 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@](CO)(NC(=O)OC(C)(C)C)C2)c1 1558633229 VZEPAIMCZGTBHP-OAQYLSRUSA-N 451.545 1.090 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 1588025164 UMDFXKLNPQHULS-KRWDZBQOSA-N 479.965 1.982 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CC[C@@H](F)C1)[C@H]1CCS(=O)(=O)C1 1588029986 NMWMUTQDYINKEE-NUJGCVRESA-N 453.584 1.961 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1588065033 RTASHEHIQNWOQJ-IBGZPJMESA-N 470.599 1.958 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588074186 KPWQVXJPGRZVRE-HVTWWXFQSA-N 466.604 1.301 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1588200543 VDJWLHPSICRGNU-GOSISDBHSA-N 471.583 1.707 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1CCN1CCCS1(=O)=O 1588549950 DFMITPMJRHKCHF-IBGZPJMESA-N 461.563 1.987 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c(CC)noc2C)CC1 1588929887 IHJKEHJITDVFBT-QGZVFWFLSA-N 474.587 1.053 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CCC 1589216496 QFSZCLLMMJPSKD-CNNODRBYSA-N 464.636 1.478 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCOC2=O)cc1 1594962225 JNCKIFNOVSXHGI-GOSISDBHSA-N 476.559 1.238 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1595516215 BJVUVHBAFNYKLA-FQEVSTJZSA-N 462.558 1.701 30 10 JDEE 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CC(C)(C)OC(=O)NCC1(O)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267717539 FNSOLHVVMSSRML-UHFFFAOYSA-N 468.381 1.246 30 10 JDEE CC(C)(C)OC(=O)NCc1ccc(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)nc1 2268705530 DXIPPKYMDOBCKM-UHFFFAOYSA-N 461.353 1.931 30 10 JDEE Cn1nc(C(=O)N=[S@@](C)(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2281976628 DPDYTXHHRYALKL-UUBFPDNSSA-N 482.412 1.967 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CO[C@@H](CNC(=O)OC(C)(C)C)C1 2282037069 QTGKUJOHEJVSRR-HUUCEWRRSA-N 464.372 1.379 30 10 JDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)(C(N)=O)C1 2282138617 PBSUHNVVUGUJLM-UHFFFAOYSA-N 463.315 1.330 30 10 JDEE Cn1ncc(C(=O)NCC2(O)CCN(C(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2282562461 ZPTHHQWSQXHIMK-UHFFFAOYSA-N 464.372 1.211 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2282586298 WXDZUCMWYDPZTH-TZMCWYRMSA-N 464.328 1.291 30 10 JDEE 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CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)CC1 2356120362 JZINAEOEGUMNGJ-KZNAEPCWSA-N 466.384 1.898 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]2(CO)CCN(C(=O)OC(C)(C)C)C2)n1C 2362330385 ALXPPQSJUIBNAN-QFIPXVFZSA-N 464.372 1.129 30 10 JDEE COCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2362356241 GFRWQKVMCCOWAK-UHFFFAOYSA-N 464.372 1.521 30 10 JDEE COc1nc(N2C[C@H](O)CC23CN(C(=O)OC(C)(C)C)C3)ccc1B1OC(C)(C)C(C)(C)O1 2365347838 IYULZDYAVTTXMP-OAHLLOKOSA-N 461.368 1.950 30 10 JDEE CN1CCN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@@H](CNC(=O)C(F)(F)F)C1 2369094876 RMRKQGIBWUCMCS-INIZCTEOSA-N 459.293 1.919 30 10 JDEE Cc1ccc(S(=O)(=O)/N=C2\C=C3N(CCO)CCO[C@]3(O)c3ccccc32)cc1[N+](=O)[O-] 8834654 ORHZHCUDDZHFDW-YUIBMZAKSA-N 459.480 1.448 30 10 JDEE COc1cc(OC)cc(C(=O)/N=C(/NCCN2CCOCC2)Nc2ccc3c(c2)OCO3)c1 46140696 DKUNJEWOHVOKBW-UHFFFAOYSA-N 456.499 1.963 30 10 JDEE O=C1C(=O)N(CCOCCO)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(/O)c1cccc([N+](=O)[O-])c1 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464.521 1.594 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1286481223 TUKGPLVZRUDHMG-RTWAWAEBSA-N 462.664 1.446 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](Cc2ccccc2)OC)CC1 1286489789 DZBJNGLJFNUGHG-NRFANRHFSA-N 459.554 1.959 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCNS(C)(=O)=O)CC1 1286491591 YPXZOKIJLLMNPO-UHFFFAOYSA-N 479.006 1.037 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1286776107 DFNMTEKRBAEBAP-OAHLLOKOSA-N 483.982 1.288 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)COC)CC1 1286783575 VSBLRNVKGYYJAX-UHFFFAOYSA-N 462.938 1.204 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCCS1 1288868755 FVGOKJOFQNJJKV-YLJYHZDGSA-N 489.671 1.978 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1300488817 GXUSNPLTMURCCN-VGOFRKELSA-N 460.556 1.852 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCCN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1300493424 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C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)CC(F)(F)F)CC1 1301126623 XANNHBNHMHSMRB-MRXNPFEDSA-N 480.557 1.508 30 10 JDEE C=CC1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1301129689 ZLTPTEUPHFGKEB-UHFFFAOYSA-N 459.554 1.930 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(C)c1 1301152162 VOEBDFWEKIGOPU-QGZVFWFLSA-N 451.597 1.583 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1301436054 JZFMWNIMGZGRQB-UHFFFAOYSA-N 495.613 1.622 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1301490819 FKCSEJITDBRGLG-UHFFFAOYSA-N 488.596 1.965 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2C[C@H](C)O[C@@H](C)C2)C1 1301557642 QIEBAIZTIDWDRV-XEYPJELSSA-N 483.635 1.596 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301577695 SHKSFVHMOPDJPG-UHFFFAOYSA-N 488.570 1.075 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1301595103 NGGSWCLUPINCRS-CVEARBPZSA-N 459.638 1.582 30 10 JDEE CC(=O)Nc1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)c1 1301794418 DPGXDOPPVWDDEF-KXBFYZLASA-N 475.575 1.356 30 10 JDEE CCN1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1313908625 AARQCOVOKGNDPV-DXIQSLLYSA-N 479.651 1.615 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(Cl)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1358961955 HNFDSGHWFHKTOM-SJORKVTESA-N 477.974 1.566 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358962197 MBCGPAQYWWMSOT-QZTJIDSGSA-N 489.564 1.826 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1358966741 VXAXQKQZZFMHRM-NHCUHLMSSA-N 490.651 1.515 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cc(F)c(F)c1F 1358994482 OILDUSFTRUAEHF-QGZVFWFLSA-N 499.490 1.679 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCCC[C@@H]2C)CC1 1359040057 GLZCMCVAVLAOIU-IBGZPJMESA-N 457.623 1.647 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](OC)c2ccccc2)CC1 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C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1359300532 FAHYLWLMMSCTDL-QZTJIDSGSA-N 489.573 1.721 30 10 JDEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1359335408 KXSPBBUHDYNFGQ-UHFFFAOYSA-N 499.684 1.561 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(N(C)C)CCSC2)C1 1502471770 HROJEFULTOSTBU-KNQAVFIVSA-N 489.671 1.772 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1507632203 YBQIBDPYLPWLMF-KRWDZBQOSA-N 472.596 1.926 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1507633303 RRGDHWROPFZTGN-UXHICEINSA-N 492.623 1.024 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1507640085 PBCKQIBLLLCPMO-FQEVSTJZSA-N 483.598 1.782 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507640632 UUHJQBARTPFPBU-IUKKYPGJSA-N 490.582 1.032 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCOC[C@@H]2CCOC2)CC1 1507721511 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C#CCN(c1nnc(Cc2ccsc2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1539224366 GANBFKFNLFBQEU-SFHVURJKSA-N 456.597 1.898 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCSCC2)cc1 1539295771 FVIFXOHGSNSZPW-IBGZPJMESA-N 486.667 1.953 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)c1nccs1 1539517092 IKPOLEAAKQRUTC-CVEARBPZSA-N 484.673 1.674 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1539706590 LWJVYCAARRFDGD-PZJWPPBQSA-N 474.631 1.898 30 10 JDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1540853791 OMUHUXTYCMXSFZ-CQSZACIVSA-N 452.968 1.690 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](COC)O[C@H](C)C1 1540871173 FZUPFHVGTDXCCW-SQNIBIBYSA-N 494.593 1.129 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCc2c(ccnc2O)C1 1540903656 DZSJKQDBWIOPHK-UHFFFAOYSA-N 460.585 1.898 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCSC[C@H]1C 1540907009 JDYGCIGTTCIOOV-CQSZACIVSA-N 455.631 1.812 30 10 JDEE C[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1541852974 APBILJRXSNPVGE-UYAOXDASSA-N 489.621 1.842 30 10 JDEE N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1544321765 AMENZTNXHRHOEC-DUXKGJEZSA-N 452.536 1.985 30 10 JDEE CCN1CCN([C@@H]2CCN(c3nnc(COc4ccc(C#N)cc4)n3CC(C)(C)C(=O)NC)C2)CC1 1547725066 FEORNTCOGWHENT-OAQYLSRUSA-N 494.644 1.717 30 10 JDEE CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1548317948 HEFCNGDXPIHFHX-UHFFFAOYSA-N 466.571 1.677 30 10 JDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NC2CCN(c3ccccc3C#N)CC2)[C@@H](C)O)cc1 1586691030 GBQHGCVWIXTSMR-VGOFRKELSA-N 456.568 1.680 30 10 JDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N2CCOCC2)CC1 1587990337 VRTKTJACUWRDKN-GOSISDBHSA-N 460.579 1.521 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588074813 SNTJJTLRMSTMEK-BVSLBCMMSA-N 493.674 1.893 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1588560846 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C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(Br)cc2)CC1 1690111765 JPTMDUGGCAFJKH-MRXNPFEDSA-N 495.447 1.649 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)C(C)C)CC1 1690139843 BQTLYJHSQRQXMR-UHFFFAOYSA-N 457.966 1.732 30 10 JDEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1690159907 QNOIVAOCQGTDMW-MRXNPFEDSA-N 473.555 1.978 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC[C@H]1CC 1690206670 WYSMNQLOKOQYOF-TXTKFYIRSA-N 478.663 1.868 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCNS(C)(=O)=O 1690239108 RIGDJFYGOWPGMT-HKUYNNGSSA-N 497.643 1.315 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1690301155 QFEDFUDQDOCKFA-KRWDZBQOSA-N 491.593 1.818 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1690565660 PERFESZREPVHJJ-GLEDVZQVSA-N 461.526 1.948 30 10 JDEE C=CCn1c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1690653242 JBLYLEJEGZWIHR-QFIPXVFZSA-N 461.588 1.768 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690666653 BWFUVUSEXUEACL-MRXNPFEDSA-N 462.576 1.022 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1690670993 NBSMXRUZISCLKH-HOTGVXAUSA-N 478.644 1.885 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1690709279 FJWWYULUTWUXDI-GOSISDBHSA-N 459.572 1.634 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1690993042 DLCCTQVATPXSGL-KRWDZBQOSA-N 453.547 1.625 30 10 JDEE CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1695717422 BTSFPBMTFQJYBR-FQEVSTJZSA-N 474.587 1.770 30 10 JDEE CCN(CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)C1CC1 1695761603 BHKDWCMYAPELSW-UHFFFAOYSA-N 487.630 1.685 30 10 JDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1705532447 NOGRYVZURMPAHQ-NCXUSEDFSA-N 493.630 1.712 30 10 JDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(-n2cncn2)nc1 1705540955 UDECLTJDOBSIKX-UHFFFAOYSA-N 461.917 1.955 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1705560272 JHALKXZRYUJXEK-APWZRJJASA-N 489.573 1.710 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705565090 SIAQTEDGFSZHTB-IBGZPJMESA-N 487.626 1.691 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCc1nnc2n1CCCCC2)[C@H]1CCS(=O)(=O)C1 1705571216 WWZDWVCLNOXFJO-SFHVURJKSA-N 459.620 1.664 30 10 JDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCN2CCOCC2)CC1 1705641504 IOKQPFXAJWUCSR-UHFFFAOYSA-N 452.603 1.549 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1705649584 BDAQWGVVWZOGEP-NRFANRHFSA-N 478.645 1.256 30 10 JDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1705818464 KXNCRAWMAAPWGW-QZWWFDLISA-N 494.618 1.322 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](CC(N)=O)C1 1705933105 UOVVWNZSBIYNSH-INIZCTEOSA-N 475.571 1.409 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1722358684 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C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1722698089 BTTWZKHZXURLIR-IBGZPJMESA-N 472.615 1.719 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(=O)NCC)c2)C1 1722718588 LSQKMJCHPOFJFS-WOJBJXKFSA-N 473.599 1.760 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1722728580 RSLQVGBGNMRBBR-ROUUACIJSA-N 482.632 1.127 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(c2nc(C)no2)CC1 1722729519 NIGOBRAHIGJXBN-UHFFFAOYSA-N 457.560 1.940 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(C)on2)CC1 1722739464 VTDPRQGPHOELNV-QGZVFWFLSA-N 466.633 1.718 30 10 JDEE CC(C)OCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1723729543 GJSNQBQKZYFOTF-UHFFFAOYSA-N 461.517 1.745 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2CCCNC(C)=O)c1 1740562974 PDCWCOZKHSTCLE-UHFFFAOYSA-N 477.525 1.588 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1740615401 CYDFMRQFIXCVLF-KRWDZBQOSA-N 481.644 1.053 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740620947 IKAWOVZGFCBOMS-SFTDATJTSA-N 472.615 1.324 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCOCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1740622086 TYOPVHNKNACKAG-QGZVFWFLSA-N 466.007 1.803 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1740622490 DODVISGNQHSCFQ-INIZCTEOSA-N 470.555 1.646 30 10 JDEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1740626797 CNGXWRIWPCLDTI-VGSWGCGISA-N 492.623 1.357 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(=O)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740628572 YVYWTWJPZGGCJU-RTWAWAEBSA-N 485.610 1.457 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1740692113 FEPKJHDKGLKHBK-NTKDMRAZSA-N 476.622 1.987 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)NC2CCCCC2)CC1 1740705218 CWETTYOJHQUCKU-IBGZPJMESA-N 456.591 1.587 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1740709911 RUKRVHLORJSNKH-ZIAGYGMSSA-N 468.571 1.328 30 10 JDEE C#CCSCCn1c(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1740724269 ZSWMOWHWLIMTDZ-WMZHIEFXSA-N 476.647 1.879 30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1740820334 YZJOJGRGFORZHP-MRXNPFEDSA-N 450.586 1.940 30 10 JDEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(N)=O)C1 1740888493 TXHMHFIWTVOGMH-QZTJIDSGSA-N 478.594 1.881 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCOCC1 1740918920 WRDPFJNFXKDRKE-FQEVSTJZSA-N 491.614 1.345 30 10 JDEE CCN(CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C#N)C1)S(C)(=O)=O 1746308464 FVQSBBPUVWAMNM-QGZVFWFLSA-N 484.529 1.947 30 10 JDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1747617220 CKYIHQBDCNCSEU-FQEVSTJZSA-N 471.631 1.466 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1748639793 MGRXXGLSMATQOT-IECFSIQFSA-N 496.634 1.371 30 10 JDEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1748724720 YXOSMIHPNFSWMA-UHFFFAOYSA-N 475.553 1.459 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1748824946 URUUQDHYMZISJF-MBSDFSHPSA-N 474.583 1.653 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1nnnn1CC1CC1 1748950751 NYPSFZHPKDIYEQ-UHFFFAOYSA-N 474.367 1.577 30 10 JDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1749095792 DAUYUFNDRSJBKU-OAHLLOKOSA-N 470.397 1.592 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1749530981 AXPZEYUVAIEEON-DENIHFKCSA-N 457.556 1.396 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(Br)cs1 1749650553 BCVVKNCZTHHAQR-LLVKDONJSA-N 491.437 1.651 30 10 JDEE C=CCNC(=O)Cn1c(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749682161 OXFQPMQFUSKEMX-YRUKQIKQSA-N 490.605 1.724 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)COC)CC1 1749738660 UGSRWVILQCJSBK-UHFFFAOYSA-N 486.598 1.177 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CCCN2C(=O)NC3(CCCC3)C2=O)c1 1760125098 DUZNEZKIBVJTIU-UHFFFAOYSA-N 463.542 1.897 30 10 JDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1760175563 MLJGWZIRGDRBFM-RXVVDRJESA-N 457.600 1.519 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCS(=O)(=O)CC=C)[C@@H]1CCS(=O)(=O)C1 1760184557 JUADGCKYVQUPHR-MRXNPFEDSA-N 466.560 1.312 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCN(C)c2ccccc2)CC1 1760264602 ALWKLPKRDGZFMJ-UHFFFAOYSA-N 465.602 1.909 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCCN2CCC)CC1 1760271330 UVEFVIADTVUQOT-NRFANRHFSA-N 469.634 1.631 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(C)CN(C)C2=O)CC1 1760273551 YBAIBLUGNHTVGB-RUZDIDTESA-N 480.569 1.310 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1760281979 TVTZBCKLQWUZRA-KGLIPLIRSA-N 479.550 1.051 30 10 JDEE C=C(Cl)Cn1c(N2CCN(c3ccc(C(N)=O)cn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760388772 UHVDWNYKJDXZIG-JOCHJYFZSA-N 475.981 1.892 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nnc3n2CCCCC3)C1 1760535382 PSTMWFSIHUSQCI-JKSUJKDBSA-N 464.596 1.036 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C)cc2)CC1 1760555731 LRYQNUJRALQWGY-IBGZPJMESA-N 458.588 1.465 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1760556748 OYACDSOSDUFOPE-UHFFFAOYSA-N 471.587 1.483 30 10 JDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1764543328 CZCXQXLCWCRGCH-UHFFFAOYSA-N 487.630 1.983 30 10 JDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1764580721 HTIUNBRHXCEXOK-UHFFFAOYSA-N 489.584 1.988 30 10 JDEE CC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccccc3C#N)cn2)s1 1858293152 KFAHKOWUSMSMRV-UHFFFAOYSA-N 479.525 1.365 30 10 JDEE COc1cc(/C=C/C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc(OC)c1OC 1860634974 MIHATLQCGFZJRY-GQCTYLIASA-N 456.455 1.947 30 10 JDEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861594629 XYGIPIJZWHITRY-IRLDBZIGSA-N 495.576 1.830 30 10 JDEE C=CCN1C(=O)C(Nc2ccc(S(=O)(=O)NC(C)=O)cc2)=C(c2ccc(OC)cc2OC)C1=O 1863409858 VAIHFFFRIHSDCH-UHFFFAOYSA-N 485.518 1.907 30 10 JDEE C=CCOc1ccccc1[C@H]1C(C(=O)NC2CCCCC2)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865718889 QUHDLDCOJGKTQH-SFHVURJKSA-N 466.538 1.792 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)S(=O)(=O)N2CC[C@H](C#N)C2)C1 2006288250 HETZQADNXRAPET-GOSISDBHSA-N 450.561 1.561 30 10 JDEE C#CCNC(=O)[C@@H](C)S(=O)(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019016831 KVIMOVUXPLQXRD-QVKFZJNVSA-N 484.530 1.531 30 10 JDEE Cc1nc(S(=O)(=O)N[C@H](C)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2255800741 VLMVFYSNUSKMPS-GFCCVEGCSA-N 458.390 1.219 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2255839092 PYVZCYNCTSCUND-CYBMUJFWSA-N 453.370 1.808 30 10 JDEE CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267098027 VFQQNLJMMMXINB-UONOGXRCSA-N 450.345 1.463 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCC(C)(C)NC(=O)OC(C)(C)C)n1 2267122340 JTPUHSXWQTZBMD-UHFFFAOYSA-N 451.377 1.928 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267478705 AZCQSQABLFPWPM-JYJNAYRXSA-N 468.381 1.118 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CCO 2267486387 MADPGXJZORFQTM-CQSZACIVSA-N 467.397 1.886 30 10 JDEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2269834392 HCHBGWLELMNVQM-AWEZNQCLSA-N 450.345 1.124 30 10 JDEE CCn1cc(C(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)nc1B1OC(C)(C)C(C)(C)O1 2282032206 CQUMIICCVIPJTM-IBGZPJMESA-N 498.389 1.970 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282075831 ZGQLTMCQZHGNTG-IAGOWNOFSA-N 468.306 1.974 30 10 JDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C 2282315912 VCDAIOAPLZYARF-QFIPXVFZSA-N 484.424 1.848 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282350379 MAGYGGDEPVATHI-JKSUJKDBSA-N 483.396 1.029 30 10 JDEE COCCN(CCNC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2282554939 LKDXDOFQLDQCOF-UHFFFAOYSA-N 486.806 1.986 30 10 JDEE CC1(C)OB(c2cnc(C(=O)N3C[C@H]4CC[C@H]3[C@H](NC(=O)C(F)(F)F)C4)nc2)OC1(C)C 2282626665 DCDVZCXQZKBGGW-YUTCNCBUSA-N 454.258 1.447 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282868480 NZIFWCUZAVEFDG-MAUKXSAKSA-N 482.408 1.492 30 10 JDEE COC1(CCNC(=O)OC(C)(C)C)CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283070719 YGOLVKYZXRUFJB-UHFFFAOYSA-N 462.356 1.532 30 10 JDEE CCOc1ccc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@@H](O)COc2ccccc2)cc1 2327749730 ZLAOYZXRBMUDGH-GOSISDBHSA-N 492.536 1.718 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)n1C 2362341778 VPLYNTNXFLBIBZ-CYBMUJFWSA-N 458.290 1.558 30 10 JDEE C=C[C@H](O)C#CC#CC[C@H](O)[C@H](O)CCCCCC[C@@H](O)CNC(=O)/C=C/c1ccc(O)c(O)c1 257370926 FFYRHMJUEAXLLR-YGWGHEPASA-N 485.577 1.594 30 10 JDEE biogenic C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)CCN1S(=O)(=O)c1ccc(F)c(C#N)c1 488938178 FXQJPHGZSSJAPE-CYBMUJFWSA-N 466.491 1.792 30 10 JDEE COCCc1ccc(OC[C@H](O)COC[C@@H](O)COS(=O)(=O)c2ccc(C)cc2)cc1 504430116 HNUOERLHCZGCPA-WOJBJXKFSA-N 454.541 1.707 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1C[C@@H]1CCCO1 517154112 MIECPFQYHGAWJK-SFHVURJKSA-N 465.575 1.608 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1C[C@@H]1CCCO1 520064268 WVYKPKWWORFIOS-IBGZPJMESA-N 453.564 1.681 30 10 JDEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3ccccc3OCC(=O)OCC)N2N1 588227065 LYRVTFLPMKZJGQ-NRFANRHFSA-N 450.520 1.691 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1C[C@@H]1CCCO1 603798638 OZLXRCIAUXJEHT-INIZCTEOSA-N 474.380 1.657 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cc(NC(C)=O)ccc3OCC)cc2C1=O 916187067 GRIWNRUOTZDXOK-UHFFFAOYSA-N 471.491 1.944 30 10 JDEE C=C(Cl)C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OCC 1132192791 QLCLVTJLSBFHJX-SFHVURJKSA-N 458.964 1.831 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(OCc3cccc(C)c3)cc2)CC1 1226204719 UUARJWNTXOGNDW-UHFFFAOYSA-N 456.568 1.869 30 10 JDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286359382 ZYPDPDMJMTZQSP-ICSRJNTNSA-N 453.547 1.236 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1286381449 GNKXZHCMYKPAIN-JXFKEZNVSA-N 454.618 1.453 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1286393170 PCGALYFOFJMMHN-WOJBJXKFSA-N 476.647 1.148 30 10 JDEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1286395908 OYHAEYMGMMVIES-AVRDEDQJSA-N 476.624 1.657 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286434046 CXEWPOHSHUEZSI-SFHVURJKSA-N 459.547 1.741 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1F 1286466200 DZDZKGRHOHCUBI-LJQANCHMSA-N 465.551 1.079 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cn[nH]c1 1286467228 ODOBHIRSLZCAIH-SFHVURJKSA-N 459.551 1.638 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccccc2Cl)N(C)C)CC1 1286471331 IYKNTRMOGUMYIL-FXAWDEMLSA-N 494.065 1.600 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2occc2C)n1 1286472155 VSQLTFMGYGQLLV-SFHVURJKSA-N 472.571 1.613 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1286472980 GAHZUKYLSPMZJU-LJQANCHMSA-N 451.531 1.867 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCn2cccn2)CC1 1286479083 FDASRFPLPVFNGF-HXUWFJFHSA-N 484.605 1.629 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286546279 HZMPKGKDDVTLLS-SQNIBIBYSA-N 451.593 1.509 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1286599844 DKVQFUUNYUDCSD-DLBZAZTESA-N 486.639 1.927 30 10 JDEE C=C(C)COCCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286613760 FOOFYCCJMUKZPH-PXDATVDWSA-N 490.649 1.654 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1286782081 JVTYBAWMSBLWRG-SFHVURJKSA-N 453.503 1.747 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1286784467 IFQDMXARSZXEIL-OYRHEFFESA-N 479.629 1.874 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)[C@H]1CC 1286787011 AKLMWYMDXIVHTC-IAGOWNOFSA-N 475.594 1.410 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(C(N)=O)CCOCC2)C1 1286802476 BKRUEPINXMCBFR-MBSDFSHPSA-N 463.579 1.382 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cccc(F)c1 1286816969 JKWFZRMMSKBNMZ-MAUKXSAKSA-N 485.607 1.970 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1286820718 PSHZQLLASGZNKP-QGZVFWFLSA-N 487.582 1.505 30 10 JDEE CC(C)CN1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)C1 1287737409 HGGDOQNTHRJRMM-ZWOKBUDYSA-N 455.604 1.698 30 10 JDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1 1288735791 GTIMXJZEZAYURY-FOGNVHKLSA-N 465.601 1.509 30 10 JDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1297964203 IBXUVIJUPOCRQG-UHFFFAOYSA-N 463.521 1.941 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(N(C)C)CCOCC2)CC1 1300685498 POYKAGJNTKCRHT-UHFFFAOYSA-N 476.423 1.902 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCN2CCN(C)C(C)(C)C2)CC1 1300718318 JYDUGOLRHPDBMJ-UHFFFAOYSA-N 467.618 1.838 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2(O)CC(OCC)C2)CC1 1300726298 JYNULWUNJZVFAZ-UHFFFAOYSA-N 452.559 1.160 30 10 JDEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301435939 BIHQWHXYBNALJW-LBPRGKRZSA-N 461.320 1.049 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3cccc(OC)c3)C2)nnc1[C@@]1(OCC)CCOC1 1301520412 GHTXKBHCEWGSSW-GBXCKJPGSA-N 471.558 1.819 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1303459849 FDCAIJXHMRMWSO-YADHBBJMSA-N 495.628 1.926 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCCC2)CC1 1314673965 DDYGCAVFDZAMBJ-UHFFFAOYSA-N 457.604 1.773 30 10 JDEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1315084417 ACJXKKCLITWQIG-IBGZPJMESA-N 482.541 1.367 30 10 JDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1358916315 HWDMCBMKMLURNE-MRXNPFEDSA-N 469.571 1.546 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1358955993 YEFIGMDPHXDLTB-NVXWUHKLSA-N 476.628 1.709 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1CC(=O)N(CCOC)C1)[C@H]1CCS(=O)(=O)C1 1358960139 YCGPVQGCEGRZHL-UXHICEINSA-N 485.610 1.375 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N1CCOCC1 1358969515 QOEUKNAKFLMUAB-ROUUACIJSA-N 476.628 1.096 30 10 JDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCOCC1 1359010361 NGQZLGHSDJGUQX-LJQANCHMSA-N 462.595 1.768 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2CC(=O)N2CCOCC2)CC1 1359032845 FVCPIXLQXJKLJK-UHFFFAOYSA-N 496.612 1.747 30 10 JDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1359081749 MSXNVPPBDFMXMK-MRXNPFEDSA-N 495.426 1.250 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359096664 FITPLVTVKYECRS-LPHOPBHVSA-N 463.608 1.520 30 10 JDEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)N2CCOCC2)CC1 1359175638 UIQPHHPMGWQXPS-UHFFFAOYSA-N 459.572 1.610 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359297049 CNJVEBNECPEFRY-UHFFFAOYSA-N 480.960 1.721 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1359332050 NOUCVQQEONUSTK-ZWKOTPCHSA-N 499.634 1.850 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359335354 JDFKGMQVJSOIQB-QFIPXVFZSA-N 459.572 1.483 30 10 JDEE N#Cc1ccc(CN2CCCN(C(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3F)CC2)cc1 1440734270 AIHIAVSEQWXBBO-NRFANRHFSA-N 451.502 1.406 30 10 JDEE CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCN(C(=O)CC#N)CC3)cc21 1463984282 KZQQYLRLLWUKGF-UHFFFAOYSA-N 455.334 1.105 30 10 JDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1507601954 WQZUPZNXRBGCSO-UYAOXDASSA-N 460.604 1.340 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)COc1ccccc1OC 1507617316 SVXIXQGKXFRGKE-XLIONFOSSA-N 477.587 1.404 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1nc(C(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1507622126 BOCIDHBFHQWYCP-MRXNPFEDSA-N 476.628 1.769 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 1507622244 HGHAQCYIZUXREV-HSZRJFAPSA-N 484.670 1.846 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1507624826 DZDPFTIIEWBXTN-RXVVDRJESA-N 463.991 1.292 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCSCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507637623 LONHXFXWTJKZQI-JYJNAYRXSA-N 496.577 1.924 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1507638075 DIDCRQCRSCWGBY-IBGZPJMESA-N 460.604 1.462 30 10 JDEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@H](OC)C(C)C)CC1 1507718589 FGJKGSAJKUXERK-LJQANCHMSA-N 473.647 1.973 30 10 JDEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C(N)=O)C1 1507958549 WOWPCDHVTHLGHU-INIZCTEOSA-N 461.592 1.451 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cc(C)oc1C 1507984618 ZCNSVESYOWDCAQ-YLJYHZDGSA-N 453.565 1.351 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1508058561 CEBMAHYYJWXVLU-OKZBNKHCSA-N 496.634 1.633 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccsc1 1508094024 XGRRYJMKINDELU-IAGOWNOFSA-N 480.616 1.316 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(=O)NC(C)C)C1 1508116903 JTJIRTRDVVKMLT-MRXNPFEDSA-N 461.592 1.544 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1508144713 SJOSSIBYVKHGTD-MSOLQXFVSA-N 459.572 1.193 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCN1CCSCC1 1509692481 FNDGFQSUFNKYGB-HXUWFJFHSA-N 469.615 1.915 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC[S@@](=O)C(C)(C)C)CC2)c1C#N 1511661067 CCAULLPLDYBVET-TXULOHPCSA-N 487.634 1.017 30 10 JDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1539171618 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C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1595213063 XCORCHUZJNWTBZ-JOCHJYFZSA-N 473.603 1.180 30 10 JDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1595314146 HGQSRWVSSKMFCZ-INIZCTEOSA-N 469.937 1.579 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1595812509 WMBKUVXGMHKLSR-UYAOXDASSA-N 460.604 1.022 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1595823537 OZLFRMQITOIPGN-QAPCUYQASA-N 479.990 1.826 30 10 JDEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NC(C)C)C[C@@H]2C)CC1 1596133476 DXTZTAUTUQSAME-WMZHIEFXSA-N 492.628 1.720 30 10 JDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1596428900 BGRAWHVUQJCGPL-UYAOXDASSA-N 471.587 1.203 30 10 JDEE COc1cc(N=C2N[C@H]3[C@@H](S2)[C@H](C(=O)NCCN2CCCCC2)C[C@@H](O)[C@H]3O)cc(OC)c1 1614399509 YSUMOZGQHBAZKP-ONUIULTDSA-N 478.615 1.109 30 10 JDEE CCN(C)C(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1615137958 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C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCNC(=O)c2cccc(OC)c2)CC1 1705634850 KMVWVEHWTRRUOC-VWLOTQADSA-N 482.585 1.124 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC(=O)N(C)C)CC1 1705650315 PDPAGMWATSIGND-UHFFFAOYSA-N 458.513 1.591 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2CCOC[C@H]2C1 1705654266 BGWLFKRLDHTRNN-GOSISDBHSA-N 461.613 1.236 30 10 JDEE C=C(Cl)Cn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705760304 FZODGFCCAHHRMX-QFIPXVFZSA-N 475.981 1.892 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CCOCC2)C1 1705819255 HWDTWQUSMPNUHV-SFHVURJKSA-N 453.609 1.974 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(C(N)=O)CC1 1705895636 NGEGMFOYQJYRMS-UHFFFAOYSA-N 450.341 1.050 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705900017 NKGUWTULVYYTHE-LJQANCHMSA-N 453.591 1.472 30 10 JDEE C=CCNC(=O)Cn1c(N(C)[C@@H]2CCCc3c2cnn3C)nnc1[C@@]1(OC(C)C)CCOC1 1705908197 KQLUMPGQYHPISQ-WZONZLPQSA-N 457.579 1.868 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1705914339 LVFNORNASKRGOO-OALUTQOASA-N 481.557 1.917 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2nc(C)cs2)CC1 1705932105 LKYQYCNBCAOLHQ-UHFFFAOYSA-N 461.617 1.976 30 10 JDEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1710365552 AFBCPXHHZAEXFD-LJQANCHMSA-N 483.573 1.728 30 10 JDEE CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)C1 1711273774 HDLMGNZAPDIERW-JOCHJYFZSA-N 491.518 1.778 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)c1ccccc1 1722295788 MEPWYYLOCWRMIJ-RDJZCZTQSA-N 453.515 1.861 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CCC(=O)NC)c1 1722305808 VCACNDWOIDTMLT-HSZRJFAPSA-N 454.531 1.123 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1722332364 JNINPEYDLWKHEG-QGZVFWFLSA-N 462.645 1.935 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1722364295 YTBYBCXGOYQOJV-HXUWFJFHSA-N 462.535 1.895 30 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468.583 1.872 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OCC 1740549283 DWEBBAPSTJLJII-FXAWDEMLSA-N 461.588 1.824 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCNC(=O)C(C)(C)C)c1 1740561456 FXCQJOVPSWKQPC-UHFFFAOYSA-N 467.574 1.635 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(OCC=C)cc1)[C@H]1CCS(=O)(=O)C1 1740616086 RWBFASOFCDQXDG-IBGZPJMESA-N 471.583 1.656 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740617236 OHJDNDVUZCDTBO-QTEQDKRBSA-N 479.647 1.430 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1740627174 YVOSZOPPTFFXFZ-SFHVURJKSA-N 455.544 1.215 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)N(C)C 1740680618 JCIMFMFIUUGJSV-UHFFFAOYSA-N 473.397 1.024 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOc2ccccc2C(C)C)CC1 1740690832 OKCJCAJPOATUDF-LJQANCHMSA-N 474.631 1.846 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCS(=O)(=O)c2ccccc2)CC1 1740698027 NDXNOYPEUXDRNF-UHFFFAOYSA-N 464.595 1.883 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1740703630 ZBDWTURRGNIKEB-NIYFSFCBSA-N 481.597 1.998 30 10 JDEE C=C(C)COCCn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740799087 GEFDCDHMFSVDQT-VXKWHMMOSA-N 468.620 1.926 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccc(F)cc1 1740932363 MGLGLYKODNUIBZ-SIKLNZKXSA-N 479.578 1.836 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1740961000 IXNBJMGWDSDGNM-GOSISDBHSA-N 495.049 1.932 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(COC)CCCCC2)C1 1740981184 OHCNGCFAYLKZAV-WOJBJXKFSA-N 497.662 1.989 30 10 JDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1)C1CCN(S(C)(=O)=O)CC1 1747617551 HHGHTTWWMCCQPE-QGZVFWFLSA-N 492.627 1.112 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CCS(=O)(=O)CC1 1748668447 KTYIHQZQPKXQSK-QZTJIDSGSA-N 495.646 1.790 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC[C@H]2CCOC2)c1 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C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCN1CCOC(C)(C)C1 1749663485 GYMHSUFMROVSKV-UHFFFAOYSA-N 478.601 1.980 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCn2cc(Br)cn2)C1 1749710344 WGFIOILPWXYOCX-LSDHHAIUSA-N 450.341 1.670 30 10 JDEE CS(=O)(=O)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1750201232 AITZLWWTHUJHEX-QZTJIDSGSA-N 458.544 1.113 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N1CCOCC1 1751093913 AFSLUCQZESAQOF-ZWKOTPCHSA-N 475.594 1.990 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)CN1CCOCC1 1751161150 CCDIROWHSFFNAM-MSOLQXFVSA-N 464.574 1.899 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1760117756 SVDJYQJKDGGXDL-GVDBMIGSSA-N 458.592 1.139 30 10 JDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCS(=O)(=O)CC1 1760132067 CFTULLWSBHZAEK-UHFFFAOYSA-N 465.601 1.234 30 10 JDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760135113 JFGZJJKDCGVMFK-UHFFFAOYSA-N 493.659 1.513 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1760181641 YXJYYADGAJUYKM-OAHLLOKOSA-N 477.497 1.350 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760183737 QWWFGENVPQLJSR-OAQYLSRUSA-N 482.610 1.554 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1nc(C(C)(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1760187488 JWZVDDYQQJDNCF-HZPDHXFCSA-N 490.655 1.853 30 10 JDEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(O)CCS(=O)(=O)CC1 1760231818 HZBNTTGMPZCZKA-UHFFFAOYSA-N 454.556 1.530 30 10 JDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1760261523 SODRAAMUFHDGAK-OCOZRVBESA-N 473.581 1.735 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N1CCCCC1 1760337050 MTJWWTZSWQNPAU-SFHVURJKSA-N 468.624 1.416 30 10 JDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(NC(=O)COC)CC1 1760378275 DZHHAAZCKPCWTK-UHFFFAOYSA-N 452.968 1.754 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1760510211 LCORZIUKHJORGW-QGZVFWFLSA-N 483.541 1.563 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1760525447 GNYYANAQPKWBQW-NHCUHLMSSA-N 466.634 1.561 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)N2CCCCC2)C1 1760542452 HOFJSWYYGRAJQD-VQTJNVASSA-N 496.678 1.657 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)NCc2ccccc2)C1 1760542830 KIKPREHLSJDJOB-WOJBJXKFSA-N 473.599 1.668 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCCN(C(C)=O)CC1 1760557128 ATZIYKUVEUGAHI-UHFFFAOYSA-N 475.615 1.731 30 10 JDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)C1 1760653395 BBEQZQUIQKBZDK-GHTZIAJQSA-N 451.575 1.890 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCS(C)(=O)=O 1761475155 AGUPJFAUOFNQAN-OAHLLOKOSA-N 478.600 1.098 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC1(O)CCOCC1 1764176531 GGANVTFPRCIQEC-UHFFFAOYSA-N 496.616 1.721 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N(C)C2CC2)C1 1767252235 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CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2267375724 KYYGDUWSFWPZFL-LSDHHAIUSA-N 488.437 1.696 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2267493622 KYTXWMUZRJVUHG-OAQYLSRUSA-N 467.397 1.934 30 10 JDEE Cc1c(C(=O)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267529021 WPANLNABXAWBSM-KGLIPLIRSA-N 450.345 1.050 30 10 JDEE C[C@H]1[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCN1C(=O)OC(C)(C)C 2267711163 HJNMPIGUXAWIQR-KBPBESRZSA-N 470.401 1.396 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268717261 JREBACNKEWICQM-BBRMVZONSA-N 467.397 1.988 30 10 JDEE CC(C)(C)OC(=O)N1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@@H]2CS(=O)(=O)C[C@H]21 2281487464 ILAMHTLOHILZHQ-HZPDHXFCSA-N 479.408 1.604 30 10 JDEE Cn1nc(C(=O)NCC2(NC(=O)OC(C)(C)C)CCOCC2)cc1B1OC(C)(C)C(C)(C)O1 2281964712 BJURQLXDHUWRBE-UHFFFAOYSA-N 464.372 1.523 30 10 JDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 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731213022 RMHZUPFLOORNLX-LPHOPBHVSA-N 465.959 1.633 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1 918956133 ADYIQGGNMDNKHN-UHFFFAOYSA-N 485.562 1.729 30 10 JDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cn1 1125693385 CSPHIGVNPINOBI-UHFFFAOYSA-N 450.524 1.714 30 10 JDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CNS(=O)(=O)c2ccccc2)n1 1143259857 VMNRYPOFDFRKKH-UHFFFAOYSA-N 450.571 1.717 30 10 JDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 1165508857 WWGADWSBAORQOE-UHFFFAOYSA-N 452.529 1.320 30 10 JDEE C#CCNS(=O)(=O)N1CCN(Cc2ccc(OC(F)(F)F)c(Br)c2)CC1 1207302811 TWSRZCQBFQUDPM-UHFFFAOYSA-N 456.284 1.933 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCc2nnc(C)s2)c1 1286310702 XZMRKUIAPHXYBY-KRWDZBQOSA-N 464.555 1.688 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](OCC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286382935 UEWZIDJDZZKAGL-WOJBJXKFSA-N 473.599 1.821 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC(F)(F)F)nc1 1286395937 BMNXHNSNJAIUAL-CQSZACIVSA-N 470.477 1.346 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1286398298 WYXRXJXYABXYAZ-IRXDYDNUSA-N 464.519 1.038 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CSCCS2)n1 1286470946 GMFUHRLQFLWTMZ-MSOLQXFVSA-N 475.644 1.561 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1286483465 LOMWQSQJKONHDB-VQTJNVASSA-N 485.633 1.801 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1286488761 STDWZRAITJCJHX-HWHXTQLESA-N 473.618 1.836 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC2CCC(OC)CC2)CC1 1286490857 VDCMMEIUEMQMKL-LYBXBRPPSA-N 456.591 1.790 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(N(C)C)cc2)CC1 1286492898 BLZNDTXGIQTWDU-UHFFFAOYSA-N 477.613 1.675 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCN2CC)CC1 1286494109 JOXIXSHEEGINOX-ACRUOGEOSA-N 458.607 1.452 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H](C(F)F)N1CCOCC1 1286516966 ODYVPFJXZIREOI-GQIGUUNPSA-N 474.578 1.236 30 10 JDEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1286544135 DWZWVWYLORTYNR-UHFFFAOYSA-N 478.395 1.057 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286546676 KXXYAGSNRHKYQV-BZSNNMDCSA-N 468.624 1.163 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1286781258 WKOIXTASAJQSCP-BXKMTCNYSA-N 468.558 1.835 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)OC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286794047 URFFOPCHPTWLAH-IYBDPMFKSA-N 477.566 1.239 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1286814030 ICJXJFXDCFSYML-OAHLLOKOSA-N 478.541 1.188 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(F)(F)F)CC1 1286820184 GRIJIEZUSIXXHC-HNNXBMFYSA-N 451.515 1.457 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1296297174 GPJMKYKAHHGZJX-UNMCSNQZSA-N 497.600 1.038 30 10 JDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCCCS1(=O)=O 1297279478 FZVRPFKMCUBNLE-SFHVURJKSA-N 459.576 1.375 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1300482885 IGXSBTODBTUMGA-MRXNPFEDSA-N 458.569 1.789 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(CS(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1300489943 WIDJWXGQXHDYTI-MRXNPFEDSA-N 498.030 1.445 30 10 JDEE C#CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1300495854 KCLXIRMLSUEQJX-WNRNVDISSA-N 497.593 1.744 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1300496302 POPLZWHAPGWXGB-PKOBYXMFSA-N 480.587 1.189 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C(CC)CC)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300496634 SOUXGLISRPYWTN-AQNXPRMDSA-N 451.637 1.775 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccc(-c2n[nH]c(C)n2)cc1)[C@H]1CCS(=O)(=O)C1 1300503151 AWGFSLKTBXXBKG-IBGZPJMESA-N 469.571 1.583 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1300506637 WYJGWOJYBCOINY-RYLXDESZSA-N 452.577 1.198 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1CCS(=O)(=O)CC1 1300509475 MHJGEWNVBBPTQL-UHFFFAOYSA-N 473.986 1.759 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1300650525 TVMNHBGLSDUSMJ-UHFFFAOYSA-N 470.549 1.624 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@H]2CCCS(=O)(=O)C2)n1 1300680421 AXGSBHPGEVUFRE-GOSISDBHSA-N 471.587 1.581 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2cnn(C)c2)CC1 1300717034 WBPDWUUDNBMJRU-UHFFFAOYSA-N 493.568 1.719 30 10 JDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCCN(S(C)(=O)=O)CC1 1300731962 JIBMLMKBVUZAPY-UHFFFAOYSA-N 456.638 1.035 30 10 JDEE C#CCSCCn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300776896 OGUKHLDMKIJZPI-DEOSSOPVSA-N 491.658 1.760 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2CCOC[C@H]2C1 1300975539 WMAVRSVWSHLNCR-LJQANCHMSA-N 461.588 1.462 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1301499727 DWJVTESQWPKGGM-RBUKOAKNSA-N 480.635 1.653 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1301509226 CULHMEJZLRFEKQ-UHFFFAOYSA-N 473.603 1.267 30 10 JDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CC1 1305643453 HLJVJATZJOVOPB-DFBJGRDBSA-N 481.601 1.659 30 10 JDEE C#C[C@@H](NC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(Br)cc1 1312009510 UMEJZRSHVMOOOH-DLBZAZTESA-N 458.378 1.911 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2([S@](C)=O)CC2)c1 1358900927 WDWTVEHZTCMQLG-XIFFEERXSA-N 468.583 1.481 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1cccc(OCCC)c1)[C@H]1CCS(=O)(=O)C1 1358962120 KNTOHNIQNWXGFB-PZJWPPBQSA-N 485.610 1.887 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1358966270 LFFRNQDSDGZIIE-HNNXBMFYSA-N 459.553 1.538 30 10 JDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccc(OCC(N)=O)c1 1359001745 BYQKDCSBDVUDOZ-UHFFFAOYSA-N 495.609 1.919 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1359044557 IVZGIXHMFWJLDB-ZWKOTPCHSA-N 484.523 1.011 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1359048696 ZMFBPDYDFWRWRP-UHFFFAOYSA-N 471.587 1.324 30 10 JDEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCNS(C)(=O)=O)CC1 1359161276 XHOLAWOKHAOTHF-UHFFFAOYSA-N 451.549 1.677 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC(C)C)nc2)CC1 1359165760 WEFXVTYOXHRTOL-IBGZPJMESA-N 476.603 1.998 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359291854 CSNQMJCNBUKQFW-WBVHZDCISA-N 457.510 1.415 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCN(C(C)=O)CC2)C1 1359322145 QGYBVIWRRCRFAP-RTBURBONSA-N 451.593 1.220 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359327568 FKHAGGYUYLULES-IBGZPJMESA-N 498.609 1.744 30 10 JDEE N#Cc1cccc(-c2cc(C(=O)N(CCCN3CCOCC3)[C@H]3CCS(=O)(=O)C3)on2)c1 1464899613 GXYRYFIEZFENGS-IBGZPJMESA-N 458.540 1.565 30 10 JDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(S(C)(=O)=O)CCC2)cc1 1504312858 GRLKNXPOVQMHNS-SFHVURJKSA-N 461.544 1.562 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCCN(C)C)c1 1507539186 RXVHTBVFKQRDCS-RXVVDRJESA-N 490.630 1.058 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507629879 QETMFHXPIPNURP-INIZCTEOSA-N 460.560 1.492 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1c(F)cc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1507632096 WRROUADXCNGXSL-GFCCVEGCSA-N 480.447 1.967 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccnc1OCC(F)F)[C@H]1CCS(=O)(=O)C1 1507632735 PLJFODOYZBOZIX-MSOLQXFVSA-N 495.552 1.886 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccccc2OCCN(C)C)CC1 1507731797 PHHSCGYUOUZTEU-JOCHJYFZSA-N 452.603 1.916 30 10 JDEE C#CCSCCn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1507759089 ZQBNRCDNAJFEOP-GOTSBHOMSA-N 463.648 1.986 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1507883987 CHHGJMLOVWBYLL-UXHICEINSA-N 466.652 1.888 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2ccnn2)CC1 1507913730 AOVSHRJNAZMWFF-MRXNPFEDSA-N 450.613 1.999 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1508079279 QBZJSWJFUQNSSS-KRWDZBQOSA-N 454.556 1.809 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1508135764 LMOHXYHVPQTZJK-OAQYLSRUSA-N 481.022 1.895 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCCCO1 1508140678 PGUHZKAKNAKNNC-QGZVFWFLSA-N 486.598 1.798 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1508143528 HXUWFUYGIREEEC-KRWDZBQOSA-N 487.673 1.638 30 10 JDEE CNC(=O)c1cccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)c1 1517490387 CGXKNTPKRQGPGA-UTKZUKDTSA-N 460.535 1.224 30 10 JDEE C=CCOc1ccc(/C=C/C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1OC 1521997916 JEYFZNIJKDPKKR-QRBZPYHOSA-N 450.557 1.926 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN(CC)S(C)(=O)=O 1538982096 BLYWGFKUPDRCNE-INIZCTEOSA-N 467.617 1.478 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CC2(O)CCS(=O)(=O)CC2)c1 1539040532 VQDJEXUZVWAVAS-UHFFFAOYSA-N 457.556 1.151 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1539203312 PIJBGOIBIVYQLS-GOEBONIOSA-N 486.019 1.217 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1539206445 PFFZBABIUTZPDZ-UEXGIBASSA-N 452.577 1.126 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1539207187 ZRQRTMHKWSDKQA-RDPSFJRHSA-N 488.610 1.944 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(O)CCS(=O)(=O)C1 1539245734 KIUROKLPKDCHET-FQEVSTJZSA-N 493.383 1.339 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(F)cc(F)c(F)c1F 1539395680 GLPJGVDEKHBHHU-LLVKDONJSA-N 463.457 1.579 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CCC(=O)N1CCOCC1 1539407844 QUUAAQYZNNHCIU-UHFFFAOYSA-N 450.543 1.772 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1539413993 QBGRSSQDMUDZQL-MOPGFXCFSA-N 456.547 1.290 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)CC1 1539462730 YFLXNXMSGIGWCN-JOCHJYFZSA-N 450.543 1.680 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2COCCO2)CC1 1539469897 VQGXOZQIJAHAPV-PKOBYXMFSA-N 471.533 1.938 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCS(=O)(=O)CC)CC1 1539481831 GTXDTRVNXFFPOG-UHFFFAOYSA-N 479.553 1.548 30 10 JDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1539526874 VVBMWABCDHKKTA-NRFANRHFSA-N 480.594 1.923 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N1CCOCC1 1540180720 TWJQMSFPBKSLKD-HXUWFJFHSA-N 473.599 1.274 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1540899804 ANJOVCLGUUADDE-AEFFLSMTSA-N 489.598 1.526 30 10 JDEE N#Cc1ccc(N2CCC3(CC2)CN(C(=O)c2ccc(O)nn2)C[C@H]3C(N)=O)cc1C(F)(F)F 1548375477 MXHMWMFFGFLEQJ-INIZCTEOSA-N 474.443 1.917 30 10 JDEE C=C(C)CN1CCC(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)CC1 1585279177 MPGVLSOEAMGMRF-IBGZPJMESA-N 451.589 1.385 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1587861114 GTXDAECFCNENLK-LJQANCHMSA-N 493.659 1.112 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588070016 VFGUCGQWGYXXNM-RBBKRZOGSA-N 471.627 1.411 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N[C@@H](C)c1ccccc1 1588139085 LIYVETJKNFBYAF-RBBKRZOGSA-N 498.653 1.813 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCN(C)C(C)(C)C1 1588218789 CDEPFYYZHWYABO-UHFFFAOYSA-N 486.624 1.681 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)COC1 1588550207 KRBYZTBTFNIZGS-IBGZPJMESA-N 477.562 1.426 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(C(=O)NCC)c2)CC1 1588751198 JILGXKBJBKDVQC-RUZDIDTESA-N 466.586 1.483 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2cccc(C(N)=O)c2)CC1 1588865651 ZTUYHFQXCLBUJX-UHFFFAOYSA-N 477.594 1.366 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCS(=O)(=O)N(C)C)CC1 1588907756 GAIPYZVWFIATRD-UHFFFAOYSA-N 495.609 1.351 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccccc2C)CC1 1588923860 OJJYCIPERIQLIA-UYAOXDASSA-N 464.570 1.971 30 10 JDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1589110391 ULHGAQIGRXQELC-UHFFFAOYSA-N 454.556 1.390 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(NS(C)(=O)=O)CC1 1589481858 CXERBIYEEUCABH-VQIMIIECSA-N 482.651 1.696 30 10 JDEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1593753150 XXOBRMVIEUJYLK-UHFFFAOYSA-N 455.531 1.821 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C(=O)NC 1595602140 FUMLDWUNBMGDSR-CVEARBPZSA-N 463.583 1.471 30 10 JDEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](C(N)=O)C1 1595871509 TXLARSCTNPAXCR-HNNXBMFYSA-N 463.633 1.859 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-n1ccnc1 1611307618 DNPBIEXEPBMNDE-XLIONFOSSA-N 484.586 1.583 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2csc(C)n2)CCO1 1618708606 BZUOXWMOZZWIBH-IBGZPJMESA-N 467.555 1.688 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)OC)c2ccc(OC)c(Cl)c2)cc1 1634358442 ZWHAAYTZGPJLFD-GOSISDBHSA-N 450.900 1.904 30 10 JDEE Cc1ccnc2[nH]c(SCC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nc12 1641093541 HIWDHLAOSGHBJP-UHFFFAOYSA-N 456.553 1.763 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1689978571 ZAANVDMHSXLVKK-KRWDZBQOSA-N 476.628 1.457 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCNC(=O)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1689990824 SEMQUKFQJHCKGM-YLJYHZDGSA-N 489.573 1.716 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1689996788 OGIMFEUSCCTDJV-QZTJIDSGSA-N 491.639 1.856 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCOCC2)C1 1690432434 DJIZPOJSCKHTRJ-SFHVURJKSA-N 483.635 1.599 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1C[C@H](C)O[C@@H](C)C1)C1CC1 1690545496 SKQJPLIFLAMESC-BJLQDIEVSA-N 482.651 1.265 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C#N)CC1 1690675401 ZKKQTFDKHZHHIK-UHFFFAOYSA-N 462.602 1.685 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1690700545 UFSGADNHVJYADP-RTBURBONSA-N 461.588 1.862 30 10 JDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1705562001 XJKZCPUBKXIAMV-RBUKOAKNSA-N 494.017 1.913 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1705569737 GHDXQKYWCFDWEJ-VQTJNVASSA-N 479.002 1.955 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCO[C@H]1C 1705628367 DXKKUSRWJZVDCC-MBSDFSHPSA-N 455.563 1.078 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccn(CC)c2=O)CC1 1705643858 BXQMYADTNNRMIV-UHFFFAOYSA-N 488.552 1.121 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1705818998 AQFIARPFDUNYAB-NVXWUHKLSA-N 467.617 1.991 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705906999 XCBSJVHFAYRFRS-UHFFFAOYSA-N 478.557 1.363 30 10 JDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCc1ccc(S(C)(=O)=O)cc1 1709137004 GFEDTNQYXSDKIK-UHFFFAOYSA-N 482.614 1.727 30 10 JDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1710874556 GUAXBDFKTWBXKD-LJQANCHMSA-N 458.588 1.410 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1722296716 UJYXZZAKSPSQOX-SESVDKBCSA-N 457.600 1.539 30 10 JDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1722329080 ADPNLQAJNFCTLP-PMACEKPBSA-N 452.607 1.719 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722357764 ABUXZBDJFHVBDN-WOJBJXKFSA-N 476.647 1.263 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722362208 MQHUEEPYOOEFNW-JOCHJYFZSA-N 482.610 1.556 30 10 JDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(C)CN(C)C1=O 1722398650 GNTCPOBFCXIYSJ-HHHXNRCGSA-N 473.625 1.584 30 10 JDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1722628025 QSWBVJGYSOXHQU-IBGZPJMESA-N 456.522 1.923 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)nnc1C(C)(C)C 1722731211 GYIQLVCLFZSEMQ-IBGZPJMESA-N 480.679 1.699 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@]1(O)CCO[C@@H]1C 1723611872 FNKREAVCANUKFR-WAIKUNEKSA-N 471.537 1.294 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1740618661 AGHCJSTYYPWDBI-KRWDZBQOSA-N 462.572 1.750 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@@H]1C 1740686174 PFAQUEWQNFGWBZ-PMACEKPBSA-N 492.621 1.393 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[C@@H]2CCCCO2)CC1 1740705478 HLKJRFLNGUGBIA-UXHICEINSA-N 477.631 1.495 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccc(OC)n2)CC1 1740750487 QPPUBRXXIJKVBO-IEBWSBKVSA-N 470.578 1.523 30 10 JDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1740880844 PCWUXKTUYLBKKT-PZJWPPBQSA-N 496.616 1.507 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1740889008 XRDKTUFXBFQWPQ-QZTJIDSGSA-N 454.593 1.547 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-c2nc[nH]n2)cc1 1740932806 WDZANOKCDWZLLY-LJQANCHMSA-N 484.586 1.623 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1740950722 FIPVMQRDZOTZNX-UHFFFAOYSA-N 485.589 1.452 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(N(CC)CC)CC1 1740959244 OSJBPOACGUKTHQ-UHFFFAOYSA-N 478.601 1.805 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1740960111 LJYLSVVPJQXRFY-FQEVSTJZSA-N 452.559 1.827 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCN(c2nccs2)CC1 1740992914 VUNDAJJCIJEYBL-INIZCTEOSA-N 452.606 1.556 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1740993817 CWVKZXXHWYSWPB-UHFFFAOYSA-N 488.614 1.753 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1COCCO1 1744086133 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CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCCCO)C[C@H]2C)CC1 1760622185 MDSRJAGDGITIJS-XXBNENTESA-N 465.602 1.968 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC2CCOCC2)CCO1 1767726208 DZBUNRGNCQVQMN-NRFANRHFSA-N 468.558 1.887 30 10 JDEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)C1 1769170924 FSDTYNZNUIKAKX-RUZDIDTESA-N 481.601 1.802 30 10 JDEE C[C@H]1CN(CCN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C[C@@H](C)O1 1771504080 GNYCTXQPIOKLLL-YDIMBITNSA-N 453.591 1.429 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCn2cc(Br)cn2)c1 1771531080 AYBSFDKEUAQFEF-UHFFFAOYSA-N 499.373 1.947 30 10 JDEE C=CCN(CC=C)C(=O)NS(=O)(=O)c1ccc(CNC(=O)CN2C(=O)c3ccccc3C2=O)cc1 1858654976 OXLLIPNIRFMWDM-UHFFFAOYSA-N 496.545 1.671 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2197775251 FCVWRNDXGIQCIB-KRWDZBQOSA-N 480.392 1.958 30 10 JDEE CC(C)(C)OC(=O)N1CC(ONS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255950053 GJHODRRBVYFFPT-UHFFFAOYSA-N 454.354 1.815 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255950316 LDVKKEUCURNSDY-KBPBESRZSA-N 474.410 1.618 30 10 JDEE CC(C)(C)OC(=O)N(CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)CC(F)(F)F 2256624607 OEACRRWMUAEFOK-UHFFFAOYSA-N 466.291 1.997 30 10 JDEE CC(C)C[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2267581043 MTMYLZUTMCBVLO-CQSZACIVSA-N 451.377 1.784 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267719493 CQOFITZDKRSYQJ-OAHLLOKOSA-N 467.397 1.916 30 10 JDEE CCc1nn(C)c(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281977704 SWCZIVFGLYKVKS-XOIINTDNSA-N 460.384 1.877 30 10 JDEE Cc1nn(C)c(C(=O)N(C)[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2281984744 FKYAZOBIZPBLJQ-SCAQPMJSSA-N 460.384 1.965 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@H](CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2282171991 QTCOEBNLPVCBIB-MRXNPFEDSA-N 461.368 1.994 30 10 JDEE 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486.536 1.687 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCO[C@@H](C)C2)c1 1286308541 JMWFXWXECIPAQH-JENIJYKNSA-N 488.614 1.760 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1286389061 DXHVISWANHQFLL-IBGZPJMESA-N 484.582 1.783 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1286393574 FILBRQSNWZKCSX-HTAPYJJXSA-N 462.572 1.653 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286396669 XBMBOSDHOFPEGM-RBBKRZOGSA-N 471.627 1.525 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCc2cc(OC)ccc2OC)CC1 1286479049 ITIWLOKBJHHTRE-HXUWFJFHSA-N 452.559 1.634 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2c(C)cccc2C)CC1 1286480155 KPZIPZMZKCBTTA-JOCHJYFZSA-N 486.642 1.226 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1286484192 FUSOOPZERVDTOJ-QFIPXVFZSA-N 480.613 1.724 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(c3ccccn3)CCC2)CC1 1286485209 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C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1286823990 SMXASHKWXVTFRP-QGZVFWFLSA-N 480.635 1.132 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCC[C@@H]2CO)CC1 1286877598 SFFLUBLERGOXHZ-JOCHJYFZSA-N 451.575 1.722 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)C1 1296328290 APKQBNYSZIEPJJ-SFHVURJKSA-N 473.559 1.177 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCCCC2)C1 1297777939 FKILBHRNGWPZHC-FQEVSTJZSA-N 457.604 1.821 30 10 JDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1 1297892398 DFDILBWDMLMFLO-SJCJKPOMSA-N 457.430 1.973 30 10 JDEE COc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCS(=O)(=O)N(C)C)cc1OC 1300051269 FOEYHTUOCKBTOL-OAQYLSRUSA-N 462.576 1.984 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1300484070 RAUONGWJODYUND-QZTJIDSGSA-N 478.596 1.154 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCCC2=O)c1 1300509465 MFSLJKYXMOUEIX-KRWDZBQOSA-N 454.556 1.136 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CCS(=O)(=O)N1CCSCC1 1300580747 GTFNJKDVFRFUCL-GOSISDBHSA-N 451.618 1.361 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1300733196 ILIBUILHDXHNOB-QGZVFWFLSA-N 452.544 1.603 30 10 JDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300766423 CFMZEYNGNWFGCW-UHFFFAOYSA-N 461.661 1.647 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OCCOC)CC1 1300830049 CRNYSEFRYZVZKD-ZDUSSCGKSA-N 466.402 1.429 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1300883540 CPKZQXDORQHXDI-ZCNNSNEGSA-N 474.606 1.674 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1301482624 XUIAAKOVPKTPMS-RDJZCZTQSA-N 485.520 1.332 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNc2nccc(C(F)(F)F)n2)C1 1301555661 XYLCVZCNWGHDHD-KBPBESRZSA-N 466.468 1.931 30 10 JDEE CC(C)N1CCC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 1303301273 FKSRIZVCIHJGAK-SFHVURJKSA-N 451.575 1.719 30 10 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C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OCC(C)C)CC1 1359304274 SXOWQCZQFHZFPV-UHFFFAOYSA-N 458.567 1.357 30 10 JDEE COCc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)ccc1F 1504636391 AOXWTMAKXPMDGS-FOIQADDNSA-N 451.499 1.956 30 10 JDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(S(C)(=O)=O)CCCC1 1507607612 AOLZTPFCMBPYFF-UHFFFAOYSA-N 464.617 1.665 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1Cl 1507617318 SXZNVACKAPAXMD-KRWDZBQOSA-N 455.943 1.716 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOCC(F)(F)C(F)F)[C@H]1CCS(=O)(=O)C1 1507622639 KDAUIMFCIRIBEP-AWEZNQCLSA-N 495.499 1.058 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507622738 LODHWHJWOOENBZ-QZTJIDSGSA-N 474.587 1.037 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1507626611 BEVALDMVYRIHFM-HXUWFJFHSA-N 463.567 1.842 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCn1cc([C@@H]2CCOC2)cn1)[C@@H]1CCS(=O)(=O)C1 1507633265 FHGCWPMHXYUODO-UYAOXDASSA-N 474.631 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CC(C)(C)S(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1 1597693955 HXHJJNYMEBQGBC-CYBMUJFWSA-N 471.381 1.978 30 10 JDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCN(C(=O)Oc2ccccc2)CC1 1606615078 ALNVPGQLLJFHDY-KRWDZBQOSA-N 456.524 1.958 30 10 JDEE CCCN1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)NCC)CC2)C1 1614820389 DSAUKVOACINEEA-OAQYLSRUSA-N 464.618 1.807 30 10 JDEE CN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)F)C1CCN(S(C)(=O)=O)CC1 1617733998 BIWIHSPBYCIAIV-UHFFFAOYSA-N 481.529 1.058 30 10 JDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NC(C)=O)c(Br)c1 1621679174 PAXBIYXITJNADG-GFCCVEGCSA-N 451.364 1.771 30 10 JDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)CC1 1621835279 JORXGRQDJRGCPK-UHFFFAOYSA-N 452.964 1.061 30 10 JDEE N#Cc1ncn(-c2ccccc2NC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)n1 1629245073 CVQQNGJUYMUELB-INIZCTEOSA-N 452.496 1.849 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)c1 1630146373 DNPCSCXUQQHBNF-GOSISDBHSA-N 456.520 1.538 30 10 JDEE C=CCN1CC[C@H](N(C)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)C1=O 1634110016 UITRITQGLWFZGP-IRXDYDNUSA-N 455.964 1.118 30 10 JDEE N#Cc1ccc(CN2CCCN(C(=O)N[C@H]3CCCN(CCN4CCOCC4)C3)CC2)cc1 1637969283 DCOFIZOOSCATRR-DEOSSOPVSA-N 454.619 1.572 30 10 JDEE C#CC[C@@H]1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Br)C1 1642246018 VQSRULHJTIIAMP-RHSMWYFYSA-N 455.374 1.854 30 10 JDEE C=CC[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(C)CC1 1665102069 OKGKSFVSRLCXMT-QGZVFWFLSA-N 453.609 1.527 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CC)Cc2ccc(Br)cc2)CC1 1674675709 ALXSWEXFQJVXIQ-KRWDZBQOSA-N 457.394 1.565 30 10 JDEE CN1CCC(CNC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)(N2CCOCC2)CC1 1686784131 HPBKGTHJDHRSMT-UHFFFAOYSA-N 454.619 1.618 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1689980597 UWWDAWQZYMHFNR-UMCMBGNQSA-N 472.611 1.987 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689986284 MRHYAWPTHYCOKG-IBGZPJMESA-N 470.599 1.758 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1689988199 KUUZAVDWGZFMLY-BJLQDIEVSA-N 459.572 1.327 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1689988598 SJQQKJRDLDAEDQ-SFHVURJKSA-N 452.540 1.613 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1689991642 AVHCKRZMBIOMLQ-YCRPNKLZSA-N 482.578 1.642 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N2CCOCC2)CC1 1690037068 KZPLJYPLBFVFIH-UHFFFAOYSA-N 467.595 1.676 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@@H]2CCS(=O)(=O)C2)n1 1690109552 VYLOJTIMRXYVRR-SFHVURJKSA-N 469.571 1.258 30 10 JDEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCn2cc(CO)nn2)CC1 1690414968 SGOZBEIYLTVGTH-UHFFFAOYSA-N 456.576 1.846 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H](OC)[C@H](OC)C1 1690662956 HDLMAYMMTANDPA-CALCHBBNSA-N 480.363 1.868 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCNS(=O)(=O)CC)C1 1690699798 JHUOOTADLGJNMQ-APWZRJJASA-N 463.560 1.511 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CC[C@@](C)(C(N)=O)C1 1690720387 HJHMOMKDDNDORY-JOCHJYFZSA-N 454.556 1.796 30 10 JDEE CC(C)(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1691026443 DGEUTEWLQRJKHW-QHCPKHFHSA-N 486.598 1.061 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1705561169 NVGIKLVNCMJNNF-OAHLLOKOSA-N 477.497 1.350 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1705564185 AVUZIPYGQQRTNC-OALUTQOASA-N 474.583 1.669 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)c2ccco2)CC1 1705644568 VLUJOCOCWWRZEB-DEOSSOPVSA-N 477.525 1.392 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1705648531 YNLTYCMDKIOIRV-NTKDMRAZSA-N 468.533 1.242 30 10 JDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705686982 QSDLKIVXJOUWJQ-KSSFIOAISA-N 477.411 1.576 30 10 JDEE C=C(Br)Cn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705692240 CYTWDZFMWHFSDA-WMLDXEAASA-N 463.398 1.851 30 10 JDEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705723728 QCLOWLRXSKLVPK-UHFFFAOYSA-N 484.601 1.909 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)[C@@H](C)C1)C(C)C 1705868967 HSGIRDAVDSWYAD-SLFFLAALSA-N 478.663 1.546 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1705894542 CEPQLKOAIJIKPI-QHCPKHFHSA-N 465.489 1.465 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccc(O)cc2)CC1 1705902811 JXGWRTYFFSITCG-GOSISDBHSA-N 459.572 1.572 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2CCOCC2)C1 1705925197 MHBMDDOHXFUEDB-ROUUACIJSA-N 453.609 1.072 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1705934452 NCMSZQDDZQWXOH-RTBURBONSA-N 478.663 1.383 30 10 JDEE C=CCSCCn1c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1705949928 NLSWQZCXBQWSEF-NQIIRXRSSA-N 485.676 1.854 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1706931996 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1722432073 VTFRJIBOHFZSBS-RBUKOAKNSA-N 452.559 1.851 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)C(=O)NCC)CC1 1722443244 FOTIHGRBKROFSI-DEOSSOPVSA-N 474.606 1.058 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(OCC(N)=O)c2)CC1 1722446361 UASCDPFNZXMFQK-UHFFFAOYSA-N 461.526 1.151 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1722448079 QZPLUZZNYWEJNP-UNMCSNQZSA-N 471.650 1.164 30 10 JDEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1722603748 MNDHSCMJNGWYDZ-RTBURBONSA-N 453.609 1.769 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1722690077 FCULPASCIMRSAE-XUVXKRRUSA-N 459.639 1.911 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](CN(CC)CC)C1 1722696742 DMMHSNNLTQXRMH-GOSISDBHSA-N 478.601 1.662 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccco1)N1CCCC1 1740550652 JFONGFWYXGXRQI-NLWGTHIKSA-N 476.603 1.499 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CC(=O)N(CCOC)C1 1740553098 QUVGLQSEVGRXTA-OALUTQOASA-N 466.590 1.405 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@]2(C)COCCO2)c1 1740562506 ODOOUULJGTVGNU-JWQCQUIFSA-N 483.569 1.792 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1740619236 MUOOXYVGSMRAOI-VGSWGCGISA-N 480.537 1.883 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1740619436 ITPNQHCIVCFGDX-QGZVFWFLSA-N 455.544 1.240 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1OCCCC)[C@@H]1CCS(=O)(=O)C1 1740622257 BHKJZXCDZCBYLB-RTBURBONSA-N 486.598 1.478 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1c(CC)nn(C)c1CC)[C@H]1CCS(=O)(=O)C1 1740623627 YAMMFPHEZALGBA-INIZCTEOSA-N 468.587 1.268 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1740624845 MBCIRZBNIDXRLJ-FXAWDEMLSA-N 465.601 1.066 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1conc1COC 1740629980 CKZHYZGAWISBCA-UHFFFAOYSA-N 468.539 1.451 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC(=O)NC(C)C)CC1 1740697467 FNPKQLVDZXMPBD-UHFFFAOYSA-N 475.391 1.996 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1740751247 ZWDGXXOXNVGNDH-FPOVZHCZSA-N 481.601 1.823 30 10 JDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1740791630 NRIUJJLOVNHTHM-DENIHFKCSA-N 470.622 1.650 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)C(=O)C1 1740851381 UPXYOOBYSPVGPE-GOSISDBHSA-N 482.651 1.518 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCc2ccccc21 1740932898 YQIHQJPFJOXHSF-NZQKXSOJSA-N 473.599 1.623 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)c3ccccc3O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740964727 HHMIJXMVGUQIBS-RUZDIDTESA-N 498.584 1.289 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1740987139 AYLIXEOWHHYGDK-QHCPKHFHSA-N 470.599 1.719 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2ccco2)N(C)C)CCO1 1748222211 FQFXZVVIWLQYAA-PZJWPPBQSA-N 479.541 1.576 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2CC)c1 1748689507 CCEAWFSJKBTANF-HXUWFJFHSA-N 451.575 1.957 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748805797 WJVIGMYUSOOVRV-DLBZAZTESA-N 477.562 1.662 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCC1 1748846915 MIPCTTFMWCGOOL-LJQANCHMSA-N 461.657 1.615 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nnc(C(C)(C)C)s2)CC1 1748972976 UAASAFHWUFRUHD-UHFFFAOYSA-N 465.587 1.878 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC2(C(N)=O)CCOCC2)CC1 1749017006 SNXPRFXOXXJONW-UHFFFAOYSA-N 494.596 1.125 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1749049692 OPDDXXZGTSIWAH-ACRUOGEOSA-N 490.674 1.501 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1c1cnn(C)c1 1749054235 QGXHDDRUPOJINC-CBGDNZLLSA-N 460.608 1.283 30 10 JDEE C=C(Br)Cn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1749112055 AFAVYYODRLISGY-KSSFIOAISA-N 455.357 1.441 30 10 JDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1749193769 PNYQQCXXDJBSIT-KRWDZBQOSA-N 467.617 1.479 30 10 JDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](S(=O)(=O)NCC)C1)c1ccccc1 1749242143 DACFIKWWOBKABT-WMZOPIPTSA-N 482.632 1.120 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC2CCOCC2)CC1 1749303470 KYAKJPIYDUOMAC-IBGZPJMESA-N 469.608 1.353 30 10 JDEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1749330790 NOCKVXVSCLEDMA-SANMLTNESA-N 496.612 1.985 30 10 JDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc(Br)cn1)C1CC1 1749519191 FYTQCXBOIVCDPR-ZDUSSCGKSA-N 455.382 1.994 30 10 JDEE 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 1749574793 FPIAQJROULRCDJ-FCGDIQPGSA-N 453.609 1.993 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1749575088 LDHMNDANCLHSIR-QGZVFWFLSA-N 450.586 1.810 30 10 JDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CCO1 1749576012 DWOVEPZCWRCYKC-PMACEKPBSA-N 475.571 1.548 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1749659039 RYHDOQXPJCZKBZ-UHFFFAOYSA-N 497.419 1.400 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760117881 VLLBYQNYWJHUJS-BZSNNMDCSA-N 496.634 1.326 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)NC)CC1 1760154933 MCJUZOADTHKEQY-SFHVURJKSA-N 460.579 1.962 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC)c1 1760220196 XOBQOAGIDNZULP-NRFANRHFSA-N 471.583 1.521 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ncccc2N(C)C)CC1 1760266262 UKZPRTAHTOPTMM-VWLOTQADSA-N 481.601 1.405 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCC[C@@H](C)C2)CC1 1760266331 VYDCZBCCESPPPE-CJFMBICVSA-N 472.634 1.628 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2CCS(=O)(=O)CC2)CC1 1760267477 NHBFTWKZMVWKQH-UHFFFAOYSA-N 485.610 1.744 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C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1286466929 LVICONFWGZVLFD-RTWAWAEBSA-N 488.610 1.791 30 10 JDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1286682965 GFFMPLGRXDGMBJ-KRWDZBQOSA-N 458.592 1.838 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1286688113 PGMYZMYGMGNKFS-NHCUHLMSSA-N 486.642 1.885 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(C2CC2)C1 1286758205 GNVNKXCINWEECO-HKUYNNGSSA-N 450.609 1.274 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)N2CCSCC2)C1 1286810917 XTHNLYQTBCNTCX-QZTJIDSGSA-N 471.649 1.332 30 10 JDEE C=CCSCCn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1286835010 MTVDEDOCJGIKBY-VGOFRKELSA-N 478.619 1.616 30 10 JDEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1=O 1287776068 GPQWGPBIDUKOAA-HXUWFJFHSA-N 454.531 1.449 30 10 JDEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCC2)CC1 1291832020 FKKNRIVFLNRMDK-GOSISDBHSA-N 451.575 1.768 30 10 JDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CCN1C[C@H](C)O[C@H](C)C1 1297407338 AYEQXOWTGCYEJX-ZIFCJYIRSA-N 450.605 1.707 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1297728932 AVTMZKOQIMBOJV-IBGZPJMESA-N 486.602 1.044 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC(C)C 1300327674 DSKVOIKYXLCVPV-ZACQAIPSSA-N 468.624 1.835 30 10 JDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)c1cccs1 1300459637 FGSXRAGBUUJMKH-UHFFFAOYSA-N 457.585 1.799 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CN(CC(C)C)CCO1 1300520026 FPIMDLOSBCTHSO-QFIPXVFZSA-N 459.558 1.350 30 10 JDEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCN(C(C)=O)CC1 1300641226 DXRVYKJJKDKOME-QHCPKHFHSA-N 471.537 1.472 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OC)nc2OC)CC1 1300683261 YKINRQVDDUIWQZ-UHFFFAOYSA-N 462.514 1.141 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OCC(F)(F)F)cc2)CC1 1300697368 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C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NCC)CC1)c1ccccc1 1359138706 BHVCQUCZOLKCDZ-FQEVSTJZSA-N 472.615 1.152 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(N(C)C)CCSC1 1359272151 MCTADNWNPKTKRS-XLIONFOSSA-N 470.665 1.227 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C(N)=O)CC1 1359328168 WBPPYNBGNMPBND-OAHLLOKOSA-N 465.551 1.860 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(N(C)C)CCSC2)CC1 1360298723 HXOACPYDOOROGY-RUZDIDTESA-N 496.685 1.901 30 10 JDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCNS(=O)(=O)c2ccccc2)C1 1360784236 AYOMFFXTEWRTHU-UTKZUKDTSA-N 457.560 1.338 30 10 JDEE COc1cccc(OC)c1OC1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1442654829 BKMCCVJWHYVAMS-UHFFFAOYSA-N 459.524 1.924 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1507638364 PWPJGUFIWAVCLT-NWFVXXGESA-N 477.631 1.302 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1507640791 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FXVAOJCCIDFXOG-INIZCTEOSA-N 457.560 1.868 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1689988779 WGJSWUYOJMVZLA-MOPGFXCFSA-N 459.572 1.471 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1ccc(C(N)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1689996854 PWSPYBBQDLPJFB-LJQANCHMSA-N 494.577 1.334 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cnccc2OC)CC1 1690114646 BTFDZZOTLAYDML-UHFFFAOYSA-N 495.609 1.403 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2nncn2CC)CC1 1690135208 RPUJKOFUAJMURD-SFHVURJKSA-N 469.594 1.765 30 10 JDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)[C@@H](CC)C1 1690170386 HHUDEBCQVMPGCS-KRWDZBQOSA-N 460.604 1.919 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1690485379 RMEBFKIWEPDHPC-WIYYLYMNSA-N 479.607 1.063 30 10 JDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1690742537 UATOGBDHIJUGGS-CQSZACIVSA-N 462.605 1.855 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C[S@@](C)=O)cc1 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30 10 JDEE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282317701 VGEZTZCTLXBOAJ-UONOGXRCSA-N 485.416 1.038 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2OC)n1 2282593060 LPXBYIZCKSPRCU-CVEARBPZSA-N 464.372 1.566 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)C(C)(C)C2)n1 2282625418 VEFOLDSSMHRXIT-AWEZNQCLSA-N 463.388 1.737 30 10 JDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282848439 NLZVHKYTLSFQPE-CABCVRRESA-N 484.428 1.643 30 10 JDEE CC1(C)OB(c2ccccc2S(=O)(=O)NCCN(CC(=O)O)Cc2ccccc2)OC1(C)C 2284412219 BJEZBJCQXXESQB-UHFFFAOYSA-N 474.388 1.851 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](C(=O)O)[C@H](C)OCc2ccccc2)n1 2284430538 VQYIIPPFDOKNHP-YJBOKZPZSA-N 457.336 1.991 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2315693848 QOSNYAAMUFMORH-HXUWFJFHSA-N 453.370 1.544 30 10 JDEE COC(=O)c1ccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 2327842472 BXVUGCXSFZWFSQ-OAHLLOKOSA-N 458.544 1.639 30 10 JDEE COCCc1nnc(SCCO)n1N=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2331311787 YBKMQQCPTHTOQS-UHFFFAOYSA-N 465.576 1.153 30 10 JDEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337393663 BQYOBCBEGUKQLX-GOSISDBHSA-N 456.421 1.988 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2339413082 KAICVAKMTHCYAL-GFCCVEGCSA-N 454.304 1.446 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2C1=O 9094677 XAZMBPPZOCNEOM-UHFFFAOYSA-N 478.461 1.882 30 10 JDEE C=CCN1C(=O)COc2cc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc21 12233998 BKDUNZVDNVSXBR-UHFFFAOYSA-N 457.508 1.871 30 10 JDEE CCCOc1ccc([C@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72443718 XWHQFHPGKFYJDL-DLBZAZTESA-N 450.499 1.484 30 10 JDEE COc1cccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cnn4ccccc34)c2=O)c1 729670243 NROCOKNWWGNPCP-UHFFFAOYSA-N 459.531 1.583 30 10 JDEE CN1CC(=O)NC1=NC(=O)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757308259 RRPHASCIKDLNKF-GOSISDBHSA-N 450.451 1.313 30 10 JDEE C#CCN(C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 918754711 CGXXLKIQWNKUPA-LJQANCHMSA-N 452.598 1.443 30 10 JDEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)NCc3ccc(C)cc3)n2N)cc1 1084464968 KKERVRIAVSUCFV-UHFFFAOYSA-N 453.528 1.941 30 10 JDEE C=C(C)CNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 1138475061 OGSQKHDHNUYUCF-UHFFFAOYSA-N 452.533 1.524 30 10 JDEE CC#CCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1152931237 VLVZKJSURUYYOX-UHFFFAOYSA-N 456.362 1.202 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCc2ccccc21 1286296222 NBSAWTILGRPULC-RXVVDRJESA-N 472.615 1.522 30 10 JDEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCNS(=O)(=O)Cc1ccon1 1286302216 CBRJFMAXKBANKX-INIZCTEOSA-N 467.555 1.916 30 10 JDEE C#CCN(c1nnc(-c2ccc(Br)s2)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1286381909 HXCNMGILCPOCMW-CYBMUJFWSA-N 498.428 1.698 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1286395782 NKRHXAPRTAKHKF-RBUKOAKNSA-N 475.590 1.965 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCOCC1 1286466955 MKIINQQBSITEJO-UXHICEINSA-N 492.621 1.393 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 1286585790 QGFHSTRSSZSOGV-GJZGRUSLSA-N 464.596 1.608 30 10 JDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286634107 QQWNEDHUPQBZSL-RDJZCZTQSA-N 461.954 1.575 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(C)(C)C)CC1 1286789305 CLDISQUQXCSNAD-UHFFFAOYSA-N 494.688 1.866 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCS(C)(=O)=O)C1 1286808243 KFLQNKGFZHZZDK-HNNXBMFYSA-N 458.544 1.810 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC2(CCN(C)C2=O)CC1 1286820150 FWOAHRQQCVAUHN-QGZVFWFLSA-N 451.593 1.569 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC)[C@@H](C)C1 1286820399 KZLGPJFTTKVCPS-FXAWDEMLSA-N 461.588 1.922 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)OC)CC1 1286821114 AMDUASAHOBGEFS-UHFFFAOYSA-N 450.536 1.998 30 10 JDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1298925873 IAAQOCRLPMFSMZ-UHFFFAOYSA-N 476.589 1.661 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1300305239 SWKHLPWIZTZEPO-PBHICJAKSA-N 462.514 1.121 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCC2(O)CCOCC2)c1 1300333770 CONBPPWNWGJZCO-IBGZPJMESA-N 453.543 1.770 30 10 JDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1300409203 QHMFXHKMHMXVIQ-SFHVURJKSA-N 460.535 1.293 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1300503261 CBEAEMUKIFTXHR-IBGZPJMESA-N 473.599 1.625 30 10 JDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)CN2CCCC2)CC1 1300899101 BPABEMVMVRMDHV-HXUWFJFHSA-N 481.601 1.756 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1COC(C)(C)OC1 1301187759 BRESBIUOMXXFFR-SFHVURJKSA-N 471.624 1.803 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)c(F)c1 1301422182 BARBWGXGNCJWFB-LJQANCHMSA-N 458.538 1.892 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCS(=O)(=O)CC1 1301576447 VAOXQMNVHJWVIG-HNNXBMFYSA-N 484.669 1.967 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccco2)C1 1358912979 CJAYYVIFDBTMBJ-RBUKOAKNSA-N 463.560 1.585 30 10 JDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)N(C)C 1358948132 UXDAFRKHLRUMPG-INIZCTEOSA-N 454.597 1.353 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)N(C)C)c1 1358978521 OTGXJECGFJYXRC-HXUWFJFHSA-N 453.568 1.198 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccnc(-n2cccn2)c1 1359018191 HPHDXZHCBVXENB-UHFFFAOYSA-N 457.498 1.640 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1359023500 MHWNUIUYEUFVGN-LJQANCHMSA-N 451.506 1.997 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCOCC3)cc2)CC1 1359028111 HRCMLUZGQTVDMX-UHFFFAOYSA-N 451.575 1.056 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1359033288 WVFDXVQPZBWJPT-GOSISDBHSA-N 488.614 1.142 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCCOC)CC1 1359041583 BIAMPRYNPNRBEY-UHFFFAOYSA-N 473.599 1.741 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1359100526 CPZAFPRHQLVAFQ-HYBUGGRVSA-N 467.618 1.892 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1359291883 DGURNBAZJDCAKY-CQSZACIVSA-N 498.556 1.517 30 10 JDEE C#C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C)c1ccc(Br)cc1 1450279811 YPVIXWDSTCUYPD-MLGOLLRUSA-N 453.362 1.957 30 10 JDEE CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1502342774 DQRULKKDOLPPGY-NZQKXSOJSA-N 499.685 1.962 30 10 JDEE CCOc1cc(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)ccc1OC 1502778184 HZUUEHPEDQXMSD-MSOLQXFVSA-N 454.531 1.998 30 10 JDEE CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCN(C(C)=O)CC2)CCOC1 1504056157 BVYQQJJKYCDDRS-QHCPKHFHSA-N 454.531 1.593 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(=O)Nc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1507631134 BLPKVWDEWFOUGZ-OALUTQOASA-N 475.546 1.924 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCN(C)C(C)(C)C2)CC1 1507720628 VEEBWJSMWGEQEI-VWLOTQADSA-N 473.666 1.100 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](Cc2ccccc2)OC)CC1 1507737651 DGROVUGAPXVBLS-RTWAWAEBSA-N 464.570 1.453 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnccn1 1507797448 LPKJLVPPKMZGDI-UHOSZYNNSA-N 477.591 1.019 30 10 JDEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507915776 ZCQQGQSZHNZWDL-UHFFFAOYSA-N 454.579 1.738 30 10 JDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1508057918 MCOVITRSKOHEMU-SFHVURJKSA-N 478.601 1.898 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539224582 IKAPLQXMKOCMQO-YVGXBJCXSA-N 463.629 1.438 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCN1CCCO 1539257627 MVUACSAXIXHXAY-LJQANCHMSA-N 469.615 1.158 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1539513658 LXVPTYHMQOHFSO-QGZVFWFLSA-N 455.588 1.716 30 10 JDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539948264 VUSDYQQURGLXJM-CTNGQTDRSA-N 457.623 1.859 30 10 JDEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1540026968 NPYNMVYENQEJHO-UHFFFAOYSA-N 482.585 1.817 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1540028519 FHIVLNLPCSZZRF-QFIPXVFZSA-N 494.639 1.956 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1540863464 WZQGSKKNUOKEPR-INIZCTEOSA-N 482.520 1.446 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)c2ccccc2)CC1 1540863622 ZPPJQXCZVJFHCG-MRXNPFEDSA-N 474.587 1.290 30 10 JDEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1540880602 LNHIHHIBFHJWDV-UHFFFAOYSA-N 476.585 1.995 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1540902123 AZHXPRZCQJKWIV-RBUKOAKNSA-N 459.572 1.878 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CCOC2)CC1 1540905669 VITHZVGRMKLAKD-ZWKOTPCHSA-N 472.633 1.034 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1541115817 FSWHHIBCYQTEPS-WTGUMLROSA-N 495.694 1.963 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)N1CCSCC1 1554164939 CEMKMBYJUBWHRJ-SFHVURJKSA-N 489.627 1.116 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1587683593 LEOPKUNIZXPJJJ-PWIGDYEPSA-N 459.570 1.806 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1587809149 ZZAJOKMTTBLPBG-GOSISDBHSA-N 458.588 1.573 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CC1(S(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1588045250 HYBSGMCJNBSKOR-OAHLLOKOSA-N 466.560 1.288 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1588054812 PTBGYLJXHMCQOW-DOTOQJQBSA-N 452.968 1.349 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCO[C@H]1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588068910 BVYYSUGUSPNVHI-NNMXDRDESA-N 491.658 1.869 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1588070273 XXFSIQVMQWOWIB-PMACEKPBSA-N 459.620 1.251 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1588923684 IXDGJIYBKNFDTN-UHFFFAOYSA-N 490.534 1.975 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCOc1ccc(S(C)(=O)=O)cc1 1589134924 RECKIKHMCHPKKC-JOCHJYFZSA-N 459.572 1.891 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1589548379 YYIBHRYTJWYHDH-YLAKUSLOSA-N 468.555 1.034 30 10 JDEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1593650390 ZWMPIMICINKIHP-UHFFFAOYSA-N 452.559 1.725 30 10 JDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1594448589 IUWRNMGMMUFJKQ-GOSISDBHSA-N 457.623 1.906 30 10 JDEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1594788851 UVEIHCGFZSVKLO-UHFFFAOYSA-N 464.548 1.918 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CC(=O)NC)CC1 1595490106 MEPZRBYZPYEBLY-UHFFFAOYSA-N 464.368 1.690 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1595496862 JBHLQTRDBTVPOD-UHFFFAOYSA-N 492.602 1.125 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1595529873 KNHUGYOOQPAGBE-UHFFFAOYSA-N 457.926 1.472 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1595543988 DJSJJJIATZBLMA-KRWDZBQOSA-N 454.597 1.072 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(F)c(F)c2)C1 1595730423 WATLACJZLLPZPH-PXNSSMCTSA-N 497.568 1.913 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCN(C(C)=O)CC1 1595788746 IQGHXLITNQEHGH-UHFFFAOYSA-N 485.570 1.253 30 10 JDEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1=O 1607567006 HDMCAXNIVVKZAS-UHFFFAOYSA-N 475.500 1.415 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1615938171 ATJFYEMTBQWILU-HOYKHHGWSA-N 453.591 1.872 30 10 JDEE C#CC[C@H](NC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O)C(=O)OC 1626188154 RGDUDHXEIJKTPG-SFHVURJKSA-N 458.946 1.721 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)OCC)(S(C)(=O)=O)CC2)c1 1636106936 BMYNKSPCLHUBIS-UHFFFAOYSA-N 455.554 1.066 30 10 JDEE COc1ccc([C@@H](CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)N2CCOCC2)cc1 1649387594 CQONDLAVOGPVQC-OAQYLSRUSA-N 458.540 1.035 30 10 JDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CCN(c2snc(C)c2C#N)CC1 1685503780 GKSZMNCQNCCIGV-HZPDHXFCSA-N 450.565 1.789 30 10 JDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@@H](O)COc3ccc4c(c3)OCO4)C2=O)cc1 1686081907 DQAASNGRLRVVAZ-IEBWSBKVSA-N 452.467 1.521 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)OC)c1 1689868657 NMAAYRGPSGJJID-HNNXBMFYSA-N 462.576 1.370 30 10 JDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1690003575 QZKNRIFUPNWOHL-HYBUGGRVSA-N 451.575 1.794 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)COCCO1 1690019946 VNDWHVDLOJXXGG-FDDCHVKYSA-N 459.547 1.465 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC2CCOCC2)c1 1690059024 HGMRNSLQGRSUGL-INIZCTEOSA-N 462.576 1.349 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc(-n3cncn3)c2)CC1 1690112023 OKYCPBSRDRAPGF-IBGZPJMESA-N 450.547 1.386 30 10 JDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1690129074 OLWYXNQDLPJBRR-UHFFFAOYSA-N 462.554 1.447 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N1CCOCC1 1690569962 QUNFBNNFXYQMMJ-LJQANCHMSA-N 456.522 1.810 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)OC[C@@H]2C1)C(C)C 1690581581 UUEZXLCJWOXYAE-GBESFXJTSA-N 457.579 1.569 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1690662702 CVXYFQYQSFYXFT-NWDGAFQWSA-N 465.377 1.786 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690677530 ZHXKDBYMVUGCSH-QFIPXVFZSA-N 491.639 1.896 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(C)cc2C1 1690723324 OAYWACNITSCSIZ-GOSISDBHSA-N 459.572 1.710 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1690724422 OKVXWJIICGNORC-MGPQQGTHSA-N 470.539 1.416 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1Cn1cccn1 1690992953 CEYGHZABGLQLCT-SJORKVTESA-N 456.576 1.777 30 10 JDEE CCOCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1696222711 DKDCEJVQBMBZFS-GOSISDBHSA-N 452.563 1.885 30 10 JDEE CN(C)C(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1696583676 FWOYKTSUIWIRAS-HXUWFJFHSA-N 463.539 1.116 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1705499888 AUKWQJBMTGKWED-FYYLOGMGSA-N 499.685 1.525 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1705571901 KQGVBSFFCUFDSB-NSHGMRRFSA-N 493.655 1.945 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CN1CCCC1 1705612971 UETDZCFRTXZHEJ-GOSISDBHSA-N 452.625 1.193 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(OCC(F)(F)F)c2)CC1 1705638807 XIMDVVOGSLZHRP-SFHVURJKSA-N 462.476 1.974 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)N2CCOCC2)CC1 1705650397 QCHPEUZBNIPNPO-GOSISDBHSA-N 456.616 1.617 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2([S@](C)=O)CC2)CC1 1705651161 MGUKNFVHEFWOCU-XIFFEERXSA-N 488.639 1.147 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1705661695 HTWZFBSMCSWGDX-DLBZAZTESA-N 462.576 1.682 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1705754657 CPSWQEPSNKVVEG-ROUUACIJSA-N 479.006 1.281 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ncccc2N(C)C)CC1 1705768915 CXFMFNDFIBRQRG-LJQANCHMSA-N 461.592 1.277 30 10 JDEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCNS(=O)(=O)CC)CC1 1705777868 RPSLEDARXORUAU-UHFFFAOYSA-N 457.564 1.263 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1705907554 QCEGGROTEKYBNF-MRXNPFEDSA-N 456.551 1.593 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705933430 GULIAQVMRDZEFS-CQSZACIVSA-N 459.981 1.218 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1705936895 AMLGQHLOHDVLBI-IBGZPJMESA-N 499.641 1.811 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)C1 1705960258 FFRBRGNQFASWFL-LJQANCHMSA-N 451.531 1.964 30 10 JDEE CCOc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1OC 1710509223 HVYVCYMTLHWKMD-VFNWGFHPSA-N 463.560 1.498 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(OC)CCOC1 1722417522 KIJDXNRXFDSJGD-KKSFZXQISA-N 465.551 1.473 30 10 JDEE C#CCN(CCOC)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(O)CCOC1 1722426351 ACWQFSYZSITZDQ-HXUWFJFHSA-N 465.348 1.857 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1(C)C 1722427464 VNYGDGNPEPRYNL-DLBZAZTESA-N 471.649 1.229 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1722451693 MWQCSAFHKUCIIY-GFCCVEGCSA-N 467.539 1.603 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1722462862 STPPOMLPHYRAIX-KRWDZBQOSA-N 472.619 1.596 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722491057 HBCLKAHKYWDEHS-MANSERQUSA-N 471.624 1.453 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)S[C@H](C)C1 1722506061 DIAIDDCEWNMCHM-QQXKLLMISA-N 485.676 1.922 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1722688341 BZJZUBMCLKWCIN-MRXNPFEDSA-N 480.566 1.331 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1722697446 JUXMXVHQZCNUSV-UHFFFAOYSA-N 450.503 1.821 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1722728573 RSLQVGBGNMRBBR-MSOLQXFVSA-N 482.632 1.127 30 10 JDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CN(CC(C)C)CCO1 1730298831 BPIMMQQMMVDRLV-NHCUHLMSSA-N 454.575 1.963 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740539693 QTRMYAXVVRSZRY-HZPDHXFCSA-N 465.601 1.088 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC[C@H]2COCCO2)c1 1740562786 OETGYWWLMRIJQB-FQEVSTJZSA-N 466.542 1.376 30 10 JDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCn1cc(Br)cn1 1740605302 QNUXJHGUXAFXJF-UHFFFAOYSA-N 453.308 1.649 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1740620810 RQCWRZGAKNNRCN-SFHVURJKSA-N 484.582 1.679 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCOCCN(C)C)[C@H]1CCS(=O)(=O)C1 1740622085 TYOPVHNKNACKAG-KRWDZBQOSA-N 466.007 1.803 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCOc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1740627280 OZXPQMJSBGRWEQ-SFHVURJKSA-N 494.639 1.586 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(C)C2CCCC2)CC1 1740700925 NHVZVFRIBBWMAE-UHFFFAOYSA-N 455.607 1.354 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1740708614 WKAXDFGGPKOGRA-OALUTQOASA-N 456.591 1.572 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1c(C)noc1C 1740717352 PZFHGOBGSYWLPZ-KRWDZBQOSA-N 468.605 1.219 30 10 JDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740739709 YNMIIZYCLRIAMW-UKRRQHHQSA-N 485.383 1.677 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1740778570 LDXOZFAONCGTDM-FQEVSTJZSA-N 450.586 1.940 30 10 JDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1740783934 AMJKBAAEERSIBV-GOSISDBHSA-N 466.633 1.841 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1740950693 DCXDXFIPLBJZGK-LJQANCHMSA-N 460.579 1.371 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1748751978 PGNDAYDGBNLTSY-SVFBPWRDSA-N 463.648 1.919 30 10 JDEE C#CCN(c1nnc(C(C)C)n1Cc1ccccc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748802700 RDJZWZRZCWOOQK-HXUWFJFHSA-N 457.600 1.913 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1748818420 BHZYATSUDYSIPH-AVRDEDQJSA-N 456.572 1.304 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(NC(=O)CCC)cc2)CC1 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C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1749670991 XMPARMPIHPVNPB-PKOBYXMFSA-N 475.571 1.069 30 10 JDEE C[C@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1752423266 ACMMNXFLRXMKPX-KRWDZBQOSA-N 458.588 1.551 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(OC)c(OC)c(OC)c1 1760097386 DPMWTIVTNCOSAM-ZIAGYGMSSA-N 451.549 1.420 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1760154245 CABOQNKGCVYGGJ-HXUWFJFHSA-N 488.614 1.776 30 10 JDEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760181461 VUWZWPQHZPSYKR-QGZVFWFLSA-N 494.415 1.813 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1760191186 CHRXPZYZIUVCMW-NRFANRHFSA-N 473.647 1.642 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCNC(=O)OC(C)(C)C)CC1 1760251655 FUALWYUGUSBDLQ-UHFFFAOYSA-N 468.562 1.595 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3nnc(O)c4ccccc34)n2CC(=O)N(C)C)n1 1760251994 IZEHTMKIUYHBRR-UHFFFAOYSA-N 489.540 1.165 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1760524162 QKVHUGJCGSCUCX-RTBURBONSA-N 473.622 1.044 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C(=O)NC)C1 1760551963 XXWWWMHQBWKXPW-MRXNPFEDSA-N 488.397 1.804 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1760553347 ATCVEOZURVRWGY-NRFANRHFSA-N 483.598 1.192 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2ccccc2)C1 1760555169 YZZWDBDSAQQKAI-RTBURBONSA-N 464.613 1.775 30 10 JDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOC1=O 1766650944 GKCSAVHEAWTWAY-MRXNPFEDSA-N 460.560 1.918 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCSCC2)c1 1768522982 BKJQHAKBECZLCA-NRFANRHFSA-N 493.634 1.686 30 10 JDEE CN(C(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(NS(=O)(=O)c2ccccc2C#N)cn1 1858271939 JRUPLESAQVPYLC-UHFFFAOYSA-N 477.568 1.388 30 10 JDEE Cc1ccc(C(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1S(=O)(=O)N(C)C 1858334072 BDMZPMJSLYIJIU-SFHVURJKSA-N 476.580 1.310 30 10 JDEE C=CCOc1ccccc1[C@H]1C(C(=O)NCc2ccc(F)cc2)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865718972 QZLGDRWVCTWNRG-IBGZPJMESA-N 492.507 1.799 30 10 JDEE CCN(CC)CCNC(=O)c1ccc(NC(=O)[C@H](C)N=C2NS(=O)(=O)c3ccccc32)cc1 1869928117 AKEQFGBXSRQSOC-INIZCTEOSA-N 471.583 1.824 30 10 JDEE C=CCN(CC=C)c1nc(=NCCCN2CCCC2=O)[nH]c(=Nc2ccc3c(c2)OCO3)[nH]1 1871533215 WQZPKHCDFOZVHL-UHFFFAOYSA-N 451.531 1.791 30 10 JDEE C=C(I)CS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 1883741945 IBXFHTVDIKBBME-LBPRGKRZSA-N 453.254 1.730 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2)CC1 1889498252 GGQGIWSIRIKEOP-UHFFFAOYSA-N 466.582 1.602 30 10 JDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NC3CCN(c4cn(C)c(=O)n(C)c4=O)CC3)n[nH]2)c1C 1890689580 SHQQMBZTGFWIOK-UHFFFAOYSA-N 480.573 1.262 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2180984042 STQMIXZPRGRMJX-JLCFBVMHSA-N 460.340 1.740 30 10 JDEE N#C[C@@H]1CN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CCN1Cc1ccccc1 2249448261 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CAGGCUTYAXECAR-YSURURNPSA-N 472.619 1.977 30 10 JDEE C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 204870014 KUYOOASZCSTJJH-INIZCTEOSA-N 475.399 1.728 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2C)CC1 492419589 QGKNBLWYPSBGHH-UHFFFAOYSA-N 460.556 1.127 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CSCN2C(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 512718707 RQKJJKSGDKSSEQ-LJQANCHMSA-N 495.045 1.845 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)CSCC(=O)Nc2cccc(Br)c2)CC1 562861791 SQCQKPJLSMJSJK-UHFFFAOYSA-N 469.405 1.567 30 10 JDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1 729669194 ZWVVKWNNPKKWOR-UHFFFAOYSA-N 473.558 1.593 30 10 JDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)c2cccc(Cl)c2)sc(=Cc2cnn3ccccc23)c1=O 729669631 SCJHHVIURNKWNK-UHFFFAOYSA-N 491.960 1.685 30 10 JDEE N#Cc1c2c(cn(CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)c1=O)CCCC2 1189432189 CPLSBXPTGBRTAY-UHFFFAOYSA-N 454.552 1.273 30 10 JDEE C#C[C@@H](NC(=O)NC[C@@H](O)COc1ccc(I)cc1)C1CCOCC1 1253347159 BCIDPDSXXUFQGK-NVXWUHKLSA-N 458.296 1.759 30 10 JDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286349349 WHNHNGGMEYTXES-INIZCTEOSA-N 454.556 1.619 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1286391781 JDZXMGOPBKPNHD-LPHOPBHVSA-N 467.642 1.129 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1COCCO1 1286458190 MHRQVHUIGDLKQR-QUCCMNQESA-N 462.547 1.765 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1286471006 FNOGJAIGEOJOQO-PMACEKPBSA-N 484.576 1.807 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)N(CC)CC)CC1 1286492083 GMYCFTFJTHOOCX-FQEVSTJZSA-N 454.623 1.836 30 10 JDEE C=C(Cl)Cn1c(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1286634961 GEYUDRZMBRDBAA-PXNSSMCTSA-N 490.026 1.314 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1286780171 QORILYKJBPMFMZ-KRWDZBQOSA-N 492.422 1.649 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1286783731 KGQXOLPQPUENFT-KRWDZBQOSA-N 470.530 1.686 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3nsnc3c2)C1 1286800192 HQKSHFZHGOZELX-ZFWWWQNUSA-N 463.589 1.723 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(SC)CCN(C)CC2)C1 1286800833 ROZUDDWUGDIAQZ-DLBZAZTESA-N 472.681 1.497 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1286815529 WOVRTVLRTRCWJJ-VQIMIIECSA-N 450.561 1.795 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1297728958 BOILYRFTZKBZRP-LJQANCHMSA-N 494.643 1.502 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300481914 CQMFZRRPROETDG-PGRDOPGGSA-N 468.620 1.761 30 10 JDEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1300491262 FTYJKNNJMTWFFB-BEIWTESXSA-N 459.597 1.822 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1300498356 JLOSWZQNCQNVMA-RCZSKKKRSA-N 455.584 1.872 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1300578394 CGHDLYMPNZBBHY-UHFFFAOYSA-N 459.510 1.339 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(=O)NC2CCCCC2)CC1 1300719777 PRRFAEGSGGFZMC-UHFFFAOYSA-N 450.547 1.150 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1300731842 XBTVONLPCGVWJK-XDHUDOTRSA-N 471.533 1.502 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCN2CCCO[C@@H](C)C2)CC1 1300732850 QGVPOKOWUIBKNM-PZJWPPBQSA-N 458.607 1.596 30 10 JDEE C=C(Br)Cn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1300862776 DXYJLNAOQVBXES-KRWDZBQOSA-N 478.413 1.311 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1300871854 DBJUETMVCIQJQG-QXOCSCLMSA-N 463.579 1.538 30 10 JDEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1300972586 NBMBIKIZANYOPO-WOJBJXKFSA-N 452.559 1.560 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)c2ccccc2C1 1300989393 ASSIHRVXONLHGW-NRFANRHFSA-N 490.630 1.660 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1301105751 NUBPMCQXFHKSAM-RDJZCZTQSA-N 476.594 1.647 30 10 JDEE C=CCN(c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNS(C)(=O)=O)C1CC1 1301322395 INKNEUGKLVXPJY-UHFFFAOYSA-N 471.587 1.940 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCCN(C(=O)C(C)C)CC1 1301506767 RVASXCHQPZLCCT-UHFFFAOYSA-N 454.575 1.874 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1301568258 QBYQUSDWFCVYFR-HNNXBMFYSA-N 479.525 1.663 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1301584735 CRUODPJNJVCSOY-UHFFFAOYSA-N 459.572 1.814 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1301613333 WCKFGULXKJVPQD-RBUKOAKNSA-N 480.660 1.818 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)nn2C)C[C@H]1C 1301927298 BHEKQYTZQDEUEP-LJQANCHMSA-N 464.574 1.976 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)N1CCOCC1 1358885203 FOPJIJWMGBYQJE-QGZVFWFLSA-N 463.542 1.382 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C)cc2O[C@H]2CCOC2)CC1 1359028615 YBMXGNVWSQLNDQ-NRFANRHFSA-N 466.586 1.696 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1359032391 MYCNEHBTZKKPNG-GOSISDBHSA-N 487.004 1.857 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H]2CN(Cc3ccccc3)CCO2)CC1 1359045674 PLBFWJIEQZXPIT-JOCHJYFZSA-N 450.587 1.707 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCN1CCOCC1 1359050793 COTXHZWGOZQHLV-UHFFFAOYSA-N 463.629 1.483 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(CC)noc1C 1359113929 TZEONSIXQPTWOL-SFHVURJKSA-N 452.581 1.921 30 10 JDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1359120805 DBZCKLQXCLYMRC-HNNXBMFYSA-N 451.549 1.612 30 10 JDEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)CCN1CCOCC1 1359123417 IGJBWWWDQBNBHV-UHFFFAOYSA-N 453.635 1.987 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1359142200 BXUPBLDDVRQSOM-AWEZNQCLSA-N 470.983 1.813 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CC 1359259293 RAGQKUNJFPOOHS-UGKGYDQZSA-N 463.604 1.965 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCCC2)nc1 1359271645 AGOKMWGBRPYVKZ-HXUWFJFHSA-N 487.630 1.833 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1359287681 QDQDEZBEXGRNRV-SJORKVTESA-N 484.623 1.538 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(Cc3ccc(C#N)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1359305822 NTJUMPSVFNQKTC-VWLOTQADSA-N 479.585 1.426 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC[C@]3(CCOC3)O2)C1 1359313270 JMCLBOFMBGJCKJ-TVKQPGBESA-N 455.581 1.008 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(S(=O)(=O)CC)CC1 1359333747 ILHGNIXFFCDIEZ-UHFFFAOYSA-N 467.617 1.268 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(CC(=O)N3CCN(C)CC3)c2)c1 1465718031 DKNHKYWURBXCIY-UHFFFAOYSA-N 454.552 1.167 30 10 JDEE C#CCN(C(=O)NCCNS(=O)(=O)N(C)C)[C@H]1CCOc2ccc(Br)cc21 1470250342 QBVRIWKOGANVRZ-HNNXBMFYSA-N 459.366 1.314 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1507588538 MRKOWOGMYLHSRG-KRWDZBQOSA-N 459.576 1.027 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC)cc1F)[C@H]1CCS(=O)(=O)C1 1507623262 UGQYOHPIIPCNRQ-INIZCTEOSA-N 463.535 1.239 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507633657 FYODWVDKSSFDAX-GOSISDBHSA-N 458.588 1.053 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1507635358 SBHAMPUKRXXSCS-SFHVURJKSA-N 462.645 1.745 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1507690392 SGWBYLYPVWIULM-LEWJYISDSA-N 457.600 1.255 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC(F)(F)F 1507705450 DFAIOUUQWOVCFE-UHFFFAOYSA-N 473.477 1.113 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H]2CC[C@H](CO)O2)CC1 1507732817 TTWOYLWVOHYQTH-VQTJNVASSA-N 455.559 1.551 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1507746412 QIESFFGXMZVDSY-QGZVFWFLSA-N 476.628 1.416 30 10 JDEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C(N)=O)C1 1507837819 WBMGVZFDCMMZIL-MRXNPFEDSA-N 461.592 1.451 30 10 JDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1507957925 XXSDZUDSGPWUFE-HKUYNNGSSA-N 455.563 1.789 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCC1 1508024160 JUVPELMTFZVEKL-HXUWFJFHSA-N 475.615 1.761 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1508059072 LIMKILKIZQMALZ-ROUUACIJSA-N 469.514 1.653 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1508075326 XLVCXNPWFKXWPX-HXOBKFHXSA-N 489.598 1.425 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C[C@@H]1CCOC1)C1CC1 1508092515 QGRHJKXXHHVRRK-PKOBYXMFSA-N 490.605 1.894 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)OCCCO3)C1 1508110859 UYUAOFYQUALPDW-FUHWJXTLSA-N 477.587 1.879 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1516846107 BTQYLTXHOJFNPI-LJQANCHMSA-N 487.630 1.887 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1OC(C)C)[C@H]1CCS(=O)(=O)C1 1539200180 AWJDMAGVVDWAGZ-FQEVSTJZSA-N 485.610 1.976 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(c2ccc(F)cc2)CC1)[C@H]1CCS(=O)(=O)C1 1539200615 MGKJMACFHXTUNN-IBGZPJMESA-N 473.574 1.914 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539226415 XMKBQRXVQJXHMC-LEWJYISDSA-N 456.616 1.765 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1cc2c(cc1OC(F)F)OCO2)[C@@H]1CCS(=O)(=O)C1 1539230008 AZFZESNWDNGDEA-OAHLLOKOSA-N 498.508 1.820 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1539230900 RACOUPBLSABHOO-HXUWFJFHSA-N 483.598 1.608 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1CCN1CCCS1(=O)=O 1539312280 NJACSODVCWSKHH-UHFFFAOYSA-N 450.568 1.935 30 10 JDEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539518840 BHHXYCCFJAKEOH-INIZCTEOSA-N 451.593 1.845 30 10 JDEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1539771128 UFLWVSCPBZHTMJ-PMACEKPBSA-N 461.588 1.797 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1540038261 YMFSZNRFZOZWOY-BBWFWOEESA-N 477.578 1.931 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1540868088 RIDUVZGYIIIZCM-INIZCTEOSA-N 457.535 1.372 30 10 JDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1540916237 UOXAYYZUQSHNHF-GOSISDBHSA-N 456.572 1.816 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1543883763 BNZQBCOLCUPOOP-MOXWOTFGSA-N 481.667 1.860 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)CCNS(=O)(=O)c2ccc(C)cc2)c1 1544860242 SLRGXJKRRFEZQT-UHFFFAOYSA-N 451.570 1.510 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)CCOC 1587640268 QJVGOEFKRHYJAR-ZWKOTPCHSA-N 450.584 1.623 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1587990456 XQPLENKPYFAYBH-LNLFQRSKSA-N 496.634 1.355 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588025338 XCABKMVBQFCXPC-QUCCMNQESA-N 472.615 1.568 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1588040891 RGLXZSSMCJVILU-ROUUACIJSA-N 460.556 1.768 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(C(=O)NCC)c1)[C@@H]1CCS(=O)(=O)C1 1588065379 XUKGHSXVUVOKQK-JOCHJYFZSA-N 492.605 1.689 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCN1CCC[C@H]1CO 1588314624 LGRPDALFPADZFS-IBGZPJMESA-N 463.586 1.888 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1589404012 FMKWZJDDRFJCAU-LSDHHAIUSA-N 474.425 1.831 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(NC(C)=O)cc2)C1 1595673761 IXWYJFWUUXDTGL-KXBFYZLASA-N 462.576 1.676 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCNC(=O)c2cccc(O)c2)C1 1595715601 ZDLQEVMNVBMFNY-HXUWFJFHSA-N 451.531 1.986 30 10 JDEE COCC[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1619766109 BQWXUWKWFMRDNM-XXBNENTESA-N 456.547 1.653 30 10 JDEE CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCCC2)CC1 1620170397 AYKPKVQCRVKYQZ-UHFFFAOYSA-N 474.587 1.506 30 10 JDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C(N)=O)cc2)CCO1 1620356607 DFMLIWQXCYXGFT-INIZCTEOSA-N 451.512 1.146 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2nnn(-c3ccccc3Br)c2C)CC1 1632624720 WTSDRSDRBGJZTR-UHFFFAOYSA-N 459.348 1.236 30 10 JDEE C=CCN1CC[C@H](N(C)S(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)C1=O 1661659835 QGDHJHRIUHCIET-IPMKNSEASA-N 451.545 1.071 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ncn(C)n2)c1 1689869049 ZLJXPSQJMYRJRD-DEOSSOPVSA-N 478.557 1.552 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](F)COC)c1 1689871761 DSVUVORGDVZCCO-IAGOWNOFSA-N 463.535 1.221 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CN(CC)CC)cc1 1689966098 KYQCJARFNKMTOE-NRFANRHFSA-N 474.631 1.571 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1689983709 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C#CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CCS(=O)(=O)N1CCSCC1 1722349633 VGRGKGMDORIWOB-UHFFFAOYSA-N 456.597 1.941 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722360559 VAXWSCUUKZUXHR-LJQANCHMSA-N 493.655 1.316 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCC(=O)NCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722368043 YMHJVYOSISFFRT-JOCHJYFZSA-N 492.605 1.597 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1NC(=O)CC1(C)C 1722374742 DELANTUHHNAKLF-LJQANCHMSA-N 468.583 1.183 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C)cc(C)c1 1722383815 KATCNZYIMQDYPF-NRFANRHFSA-N 455.584 1.543 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC(C)C)CC1 1722510844 XEUFLGMBXUCXAW-HBMCJLEFSA-N 481.663 1.708 30 10 JDEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1722576677 SOBXFURGQOXGAY-NRFANRHFSA-N 480.612 1.301 30 10 JDEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1722628112 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C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(NC(C)=O)nc2)CC1 1740692107 FDOWLQZYUVZMFH-XMMPIXPASA-N 467.574 1.476 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCCC)CC1 1740717520 VAGQAGJLEADXQS-MOPGFXCFSA-N 485.676 1.763 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1740851339 TWCSVFCWRRVAMK-YWNPBTLJSA-N 497.662 1.986 30 10 JDEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1740944313 ZIJQEQUAZBPNIG-MRXNPFEDSA-N 494.438 1.895 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@](O)(c3ccc(F)cc3)C2)nnc1[C@]1(OCC)CCOC1 1740965085 LMYFJGJUNUJZTP-PKTZIBPZSA-N 459.522 1.469 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1740997270 WPKDERBXQSVWPW-OAHLLOKOSA-N 458.654 1.502 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)CC1 1746510708 AXFYWIAPNCILCO-UHFFFAOYSA-N 461.574 1.474 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1748732007 QCKPJTASWOXDKA-CYBMUJFWSA-N 454.494 1.324 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1748805570 UUHAHKGXAUACCY-UGKGYDQZSA-N 459.572 1.195 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1748805826 WVLHYZDSGOXVMK-YJBOKZPZSA-N 473.393 1.466 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(C)cc(C)cc2C)CC1 1749005672 ZGLDHDSUJQJSCD-LJQANCHMSA-N 486.642 1.828 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](C)SC)CC1 1749010003 ZFPLCEGNPMDJOG-MRXNPFEDSA-N 489.671 1.956 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC)C1 1749129238 BRFPWCLLIWKVCX-MANSERQUSA-N 453.609 1.829 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCc2ccccc2)CC1 1749193477 KMSCJCOTFGQTEK-NRFANRHFSA-N 474.631 1.552 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749740127 QLAXIWRFAZMBMK-YESZJQIVSA-N 469.608 1.875 30 10 JDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NCC)CC1 1749752547 UATCDQXLGNDWOX-UHFFFAOYSA-N 482.614 1.963 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCN2CCOC[C@H]2C)c1 1760127898 QCMPIISJBNWZOQ-WIYYLYMNSA-N 452.559 1.907 30 10 JDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC=C 1760173935 FNNGBUHTIBPXJE-MRXNPFEDSA-N 453.565 1.257 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1760183060 LRJXEMKIEAEXBN-HOLBHBGLSA-N 468.004 1.531 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1760183986 SFZIEELRGHKHJA-CQGGRAHPSA-N 450.586 1.349 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760186306 BNJHMJMGEZXFNK-DLBZAZTESA-N 481.619 1.712 30 10 JDEE C#CCN(c1nnc(COCC)n1CCc1ccc(-n2cccn2)cc1)[C@H]1CCS(=O)(=O)C1 1760193119 UECUFGBASDALQR-NRFANRHFSA-N 468.583 1.870 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CC(=O)N(CCOC)C1 1760206342 WYWTVHZYVFXHQL-FQEVSTJZSA-N 476.585 1.020 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCO[C@H](C)C2)n1 1760251979 IQSAFQDNGPPGLU-HBFSDRIKSA-N 455.563 1.527 30 10 JDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1760280423 QBVUCLNGJQCMIW-UHFFFAOYSA-N 487.611 1.432 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CC(N)=O)C1 1760322588 UWYXDIKEIMJLPK-MTNOOBJLSA-N 451.593 1.253 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(C(F)(F)F)CC1 1760345953 APUVVTQBAIEVIM-CYBMUJFWSA-N 453.487 1.081 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1760525088 TULDBCGJBTUYLK-HXUWFJFHSA-N 481.601 1.762 30 10 JDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1760526634 DSJFLXFWEPOSJZ-UHFFFAOYSA-N 468.606 1.693 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)OC)C1 1760533005 LLOULEWJPPBMNQ-ZWKOTPCHSA-N 460.556 1.793 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCSC(C)(C)C1 1760548604 LQAUCHPBPCWPSB-UHFFFAOYSA-N 450.590 1.858 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)Cc1ccc(F)cc1 1761362400 BWLHRPKFMIDHFL-FXAWDEMLSA-N 493.609 1.620 30 10 JDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCN(c2ccncc2)CC1 1769303938 CNZCJGLIVXZUES-UHFFFAOYSA-N 487.612 1.996 30 10 JDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1769547778 BGTGGRLSOHBFTK-FQRUVTKNSA-N 495.628 1.737 30 10 JDEE CS(=O)(=O)NCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@](F)(C#N)C1 1770360433 FXEIZMSJTYNSFA-CQSZACIVSA-N 463.358 1.760 30 10 JDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)N3CCN(S(=O)(=O)c4ccc(N)cc4)CC3)cc21 1858636136 PXXLISVELBMTPR-QGZVFWFLSA-N 484.578 1.758 30 10 JDEE C=CCN(CC=C)c1nc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870004594 FMWZCXBVRWVHIP-CQSZACIVSA-N 491.486 1.885 30 10 JDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2C1=O 1870156509 QRQIRGQLSZBCEH-UHFFFAOYSA-N 462.338 1.433 30 10 JDEE C=CCN(CC=C)c1nc(=NCc2ccc(S(N)(=O)=O)cc2)[nH]c(=Nc2ccc3nc[nH]c3c2)[nH]1 1871625340 MDASFDLYZLGSPG-UHFFFAOYSA-N 491.581 1.773 30 10 JDEE CC(C)S(=O)(=O)c1ccc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1889490187 FGRQMCBLJRULRF-UHFFFAOYSA-N 461.628 1.741 30 10 JDEE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248406416 YAPUQRCGBLLZCK-NSHDSACASA-N 458.415 1.844 30 10 JDEE CN(C[C@@H](O)CN(C)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255534627 JVGXDTGWTKRQHD-ZDUSSCGKSA-N 455.386 1.742 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2266973148 BSLVYYVDBVRYTL-IRXDYDNUSA-N 450.316 1.835 30 10 JDEE CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267135470 CWXIXBZRAZWCBZ-CQSZACIVSA-N 450.345 1.465 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CO 2267179407 PNBYZWQIMSQGDV-ZBFHGGJFSA-N 450.341 1.927 30 10 JDEE CO[C@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@H]1NC(=O)OC(C)(C)C 2267184869 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N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(Cl)nc1 729672798 IUZQEWWGSLKSLG-UHFFFAOYSA-N 476.949 1.721 30 10 JDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)N=[S@](C)(=O)c2cccc(Br)c2)C1=O 1211666787 LMQKQAOJUDMVKC-JBEBIEQOSA-N 450.380 1.869 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1286391136 GHDIWDWNSHCQRZ-IBGZPJMESA-N 483.598 1.012 30 10 JDEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCOCCS(C)(=O)=O)CC1 1286483635 RUJXQPZNRUOKPW-UHFFFAOYSA-N 470.599 1.167 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=O)NCc2ccco2)CC1 1286486705 ASXVLZNBWMAVOV-RUZDIDTESA-N 498.584 1.194 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)NCC2CC2)CC1 1286493503 CUTRWSSJZQFYOI-TZIWHRDSSA-N 470.618 1.689 30 10 JDEE C=C(Cl)Cn1c(N2CCN(CC(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1286634968 GFKVZJBRPFNQRN-OAQYLSRUSA-N 452.987 1.427 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(NC(=O)OC)c2)CC1 1286645459 CSQZHBSLIXJGAA-IBGZPJMESA-N 490.586 1.994 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1286727101 MQFJNUKDHZDPJL-FOIQADDNSA-N 477.587 1.614 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1286779251 HHENNHPHYHYPMT-BBWFWOEESA-N 456.522 1.822 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1cccc(C)c1 1300578122 HUUYOHFUXHZSEX-RBBKRZOGSA-N 485.610 1.850 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1300729205 QIHGNDOSBISGLK-UHFFFAOYSA-N 483.638 1.996 30 10 JDEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300777135 RKPNETIEHVILNF-UHFFFAOYSA-N 488.589 1.937 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)N2CCSCC2)CC1 1301120177 JOCLUFBKSOZIHA-MRXNPFEDSA-N 454.622 1.010 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1301480677 CUIVOSBIZXYMMX-QUCCMNQESA-N 470.574 1.678 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1301520923 TUPABGJVTUUZCZ-IFMALSPDSA-N 495.628 1.924 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1301578104 YBNADVOYNCBTTK-IBGZPJMESA-N 450.952 1.311 30 10 JDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1301592672 BMGZMBWOUNHGFG-UHFFFAOYSA-N 453.609 1.644 30 10 JDEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1301597339 OSTWNIDMZRPLPZ-UHFFFAOYSA-N 473.994 1.853 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2c(I)cnn2C)n1 1313198517 UGXXVLPLBISBIA-UHFFFAOYSA-N 456.288 1.213 30 10 JDEE Cn1cc(C(=O)NCC2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)O)CC2)cn1 1314894869 GXFKUMIIUDITRY-UHFFFAOYSA-N 462.558 1.968 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C(C)C)N1CCCC1 1358890472 PXYTZNBSYUWIHI-FHWLQOOXSA-N 452.625 1.189 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(N(C)C)CCC2)c1 1358901645 RPZGUELJCVBRRZ-KRWDZBQOSA-N 487.630 1.429 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CCN(C(C)=O)CC1 1358954403 HCTBVOUTQYURGI-IBGZPJMESA-N 459.595 1.584 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1358959254 FMNDUHRDYVYUTI-CYBMUJFWSA-N 455.462 1.092 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1358965615 YEYBRIMHCXJVAA-LJQANCHMSA-N 456.547 1.899 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1358967495 LPICKYRLWVHVRT-RBUKOAKNSA-N 457.556 1.098 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC(F)F)OCO2 1358999717 APRUFWHEEALMPF-LBPRGKRZSA-N 471.486 1.726 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC(=O)N1CCOCC1 1359007624 OXAKSBLMRVVLNQ-UHFFFAOYSA-N 477.569 1.944 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1359027915 AGPMSPIYLUYJHH-FQEVSTJZSA-N 453.591 1.945 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1359121844 KWTKVBXULFPTOR-WOJBJXKFSA-N 483.635 1.742 30 10 JDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1359140896 PUYHALGHYSKIMC-UHFFFAOYSA-N 466.030 1.987 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1359294379 RTNWFKLVHRVSQT-KRWDZBQOSA-N 467.574 1.045 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1359327634 GYNWMVGHEFQFPS-HKUYNNGSSA-N 479.578 1.679 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCOC2(CCOCC2)C1 1359329307 FGEVQZYFFBFNFO-UHFFFAOYSA-N 467.979 1.980 30 10 JDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359345795 QNWPXPATKIMZQK-KRWDZBQOSA-N 458.592 1.532 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1494126643 CHJGMHYESWDQSW-BBWFWOEESA-N 476.607 1.295 30 10 JDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC(F)F)cc2)CCO1 1505322027 HFKZCFAYNBFBSJ-GDBMZVCRSA-N 453.471 1.559 30 10 JDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccc(OCC(N)=O)c1 1507605698 XVPOQYSEEVXSKG-UHFFFAOYSA-N 481.582 1.528 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1507634813 NLBPEUDYVFOXQC-TZIWHRDSSA-N 456.616 1.623 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1507637988 CPGOVSKPXRJKGA-FXAWDEMLSA-N 473.574 1.970 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1507638152 PANYEGAIFSVEBL-BZSNNMDCSA-N 499.609 1.961 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(N2CCOCC2)CCSC1 1507659075 VHTDKMRQSYNCPG-DEOSSOPVSA-N 479.610 1.596 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1507722324 URHWCBJRGODBHW-ZWKOTPCHSA-N 495.650 1.043 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)Cc2cccs2)CC1 1507735559 CGCXSOWDDOQWKD-DLBZAZTESA-N 492.671 1.794 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC2(O)CCS(=O)(=O)CC2)CC1 1507735983 CLWKHLBFVVNTOD-UHFFFAOYSA-N 485.610 1.159 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOc2cccc(C)c2)CC1 1507737158 ZCKFYGMNLOLHFB-SFHVURJKSA-N 488.614 1.242 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC(C)C)C1 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1.532 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1286783316 JUMRNRWSOBMMLS-KRWDZBQOSA-N 470.574 1.958 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)(C)C)CC1 1286787091 NZOYHRBNTKUUEU-UHFFFAOYSA-N 474.635 1.461 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCS(=O)(=O)NC(C)C)C1 1286808964 OLEZKPRHLVVSFG-MRXNPFEDSA-N 487.586 1.703 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C2CC2)C(=O)C1 1286815214 OSRBITAWPLNMHG-UHFFFAOYSA-N 497.419 1.458 30 10 JDEE Cc1ccc(C(=O)NCCn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1F 1289453140 FLLVGQNOHMKVOW-UHFFFAOYSA-N 465.537 1.704 30 10 JDEE CCN1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 1296205907 FXQVBYGMWUZUGD-DEOSSOPVSA-N 450.591 1.546 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1300310010 JYEKLTSKXZIHBT-CGXNFDGLSA-N 480.679 1.827 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1300496279 PHCWMROUNDXGCR-HZPDHXFCSA-N 468.626 1.225 30 10 JDEE C#CCN(c1nnc(CSc2ccccc2OC)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1300504289 LFSZQOLRUZNICJ-INIZCTEOSA-N 477.612 1.294 30 10 JDEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1300506628 WRMPHIJVKKDTMR-KSZLIROESA-N 481.619 1.712 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1C[C@@H](C)O[C@H](C)C1 1300527746 KKNXYLKTMRDVPZ-WOJBJXKFSA-N 473.581 1.764 30 10 JDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ncn(C)n1 1300590710 FJEZYUFZBQNIBV-UHFFFAOYSA-N 457.586 1.283 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1300848263 BYHMLLASFQRORB-QWHCGFSZSA-N 467.411 1.102 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@](C)=O)CCC1 1300916180 UINGULFXLLISHA-BCOMRZATSA-N 459.638 1.315 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1301017978 QWOKEEOVZVTNDY-UWWQBHOKSA-N 488.058 1.020 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncn(C)n1 1301340226 XLBRUVLZONKRPD-GOSISDBHSA-N 452.544 1.421 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(S(=O)(=O)CC)CC1 1301502410 HJCREPZBRBCGLK-LJQANCHMSA-N 475.571 1.496 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@H]2C1 1301529878 NWXHUMSMHMPAKR-PKOBYXMFSA-N 476.603 1.022 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1301577990 WKHLBICHASBKAR-RHSMWYFYSA-N 479.990 1.923 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1301586185 DZBSYYQZFNMZBA-MRXNPFEDSA-N 451.597 1.831 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1301587057 LSUXYPOUEYQKMU-UHFFFAOYSA-N 461.563 1.715 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCn1cccn1 1301588866 KXAFXKIWKRRPEX-IBGZPJMESA-N 458.544 1.724 30 10 JDEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1301871023 CLEIBJGBGPBSJT-FPOVZHCZSA-N 454.531 1.497 30 10 JDEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1302320255 GTIFAEWXXFEXJA-WJOKGBTCSA-N 478.644 1.836 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC1CCN(CC(F)(F)F)CC1 1303865708 CZIOJNPAVDCIRM-HOCLYGCPSA-N 493.556 1.281 30 10 JDEE Cc1cccc(C)c1NC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1304446642 FRDZZUSBSWNCLE-YWZLYKJASA-N 463.539 1.586 30 10 JDEE Cc1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1CCS(=O)(=O)NC(C)C 1304851486 FDMXMIIOVBXTTM-UHFFFAOYSA-N 468.587 1.661 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1358958934 YSCQZCMJSCTMAO-GOSISDBHSA-N 470.555 1.371 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OC)nc1OC)[C@H]1CCS(=O)(=O)C1 1358961774 FEPYTQYIIUENIR-MSOLQXFVSA-N 475.571 1.259 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1358964837 IFTOEUQJZFSGMP-HXUWFJFHSA-N 457.600 1.719 30 10 JDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)CCOC 1359010626 VGJGBKRUPBOOMN-GOSISDBHSA-N 450.584 1.624 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(COC)CCOCC2)CC1 1359028660 ZQHHCGMGJWCMHF-UHFFFAOYSA-N 453.547 1.124 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1359031428 BCZXGCPAVPDRAO-HXUWFJFHSA-N 466.586 1.976 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCS(=O)(=O)NC)CC1 1359033021 MJLRZRMDFMDQGF-UHFFFAOYSA-N 497.419 1.021 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1359056903 NOIWAUWFCLZXNQ-GOSISDBHSA-N 473.624 1.708 30 10 JDEE C#CCSCCn1c(N2CCN(C3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359061949 QSFNONIATZCGRW-QHCPKHFHSA-N 463.648 1.986 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(C)CC(=O)N1CCOCC1 1359293687 XGZUTDZIWVROBR-UHFFFAOYSA-N 477.363 1.305 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1359297694 ZBKYYFRVRZGEAI-UHFFFAOYSA-N 469.565 1.521 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cn(C)nc1-c1ccccc1 1360680684 HDXNIMVTYIOPKY-VFNWGFHPSA-N 472.550 1.779 30 10 JDEE C=C(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(=O)OC 1438397790 BMUUQWDTSUZZDY-KRWDZBQOSA-N 452.529 1.483 30 10 JDEE COc1cc(C(=O)NCC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc(OC)c1OC 1471226776 HYCGQTRXQUQTAA-UHFFFAOYSA-N 456.474 1.802 30 10 JDEE CCOc1cc(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)ccc1OC 1502778187 HZUUEHPEDQXMSD-ZWKOTPCHSA-N 454.531 1.998 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCc2nccnc2C)c1 1507548365 RKIPQTZUCRQZAU-UHFFFAOYSA-N 460.542 1.814 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1507634789 MVZNDQAKCCUWEF-SFHVURJKSA-N 472.596 1.542 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(N2CCCCC2)c1 1507660062 LPFHGNMHDMTMFG-LJQANCHMSA-N 469.615 1.785 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CCCC1 1507667395 MESJYUXYSXCYMV-UHFFFAOYSA-N 457.556 1.826 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1507700703 SQOIGOGVYVLEAY-LJQANCHMSA-N 465.533 1.952 30 10 JDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCC[C@H](O)C1 1507711025 YJSMSKXVSHACNZ-MSOLQXFVSA-N 460.604 1.875 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1507716660 SNADGWWXMRWCNH-RBUKOAKNSA-N 473.622 1.817 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@](C)(O)C2CC2)CC1 1507732310 FLWMPHVZIGEJEX-YIGJPRQDSA-N 458.607 1.965 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)(F)C1 1507751472 OPCCJHZXONSYOH-HNNXBMFYSA-N 463.576 1.459 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCC(C)C)C1 1507752165 WCIRIKFVURMJNE-ROUUACIJSA-N 471.649 1.229 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NCC)CC1 1508070779 CRJAMMJFCRDBBB-UHFFFAOYSA-N 488.980 1.015 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1508071482 JVCKAUIAXCYLMK-WMZOPIPTSA-N 451.531 1.164 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1508072680 FFKMJJRPNSFQAE-IBGZPJMESA-N 489.983 1.783 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1508141801 ZRRKUHCXGNQUPB-UHFFFAOYSA-N 489.577 1.754 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)NCC)CC1 1508143638 IYLMLTCUZSDPIQ-UHFFFAOYSA-N 467.621 1.086 30 10 JDEE CC(C)(C)OC(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1508669833 HSUHXSRHXVNSJK-UHFFFAOYSA-N 495.588 1.518 30 10 JDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1517034158 ASOVXVGQJUKDOS-ZWKOTPCHSA-N 463.585 1.407 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCN(c2ccccc2)CC1 1538970165 AJECWXYGCSPLKD-PMACEKPBSA-N 473.647 1.559 30 10 JDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccc(OCC)n2)CC1 1539078667 DBQHPWUFBNAFKQ-UHFFFAOYSA-N 452.563 1.719 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1539220429 JIDHKBOKRQCINP-DLBZAZTESA-N 454.618 1.243 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1539230481 HXPCOBOFHJMXIV-NSHGMRRFSA-N 493.655 1.945 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1539476550 BDRHLKFZYUVTJI-LJQANCHMSA-N 479.585 1.816 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1539477680 VMEBHWQABDAARU-KRWDZBQOSA-N 456.572 1.049 30 10 JDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1539578663 BFBIWRKUXZZURN-KGLIPLIRSA-N 491.456 1.928 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO1 1540134118 SEJMOJYAXURVDX-UXHICEINSA-N 461.588 1.983 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1540867880 KUBBJKOXAWKAOQ-QHCPKHFHSA-N 467.530 1.070 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccccc1)CC1CCOCC1 1540871354 JZARPVNXKCIEDS-NRFANRHFSA-N 487.626 1.916 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(CC(C)C)C(=O)[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1540876695 YMBTXTPHMCGKKJ-MBSDFSHPSA-N 462.595 1.314 30 10 JDEE 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JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1760183045 LNBSJFJZASLKQH-NVXWUHKLSA-N 451.480 1.465 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1760184310 VJFSBVHCVOXTLL-FDDCHVKYSA-N 490.582 1.395 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1760187587 WYRQCQSODLTASE-TZIWHRDSSA-N 459.591 1.977 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1760190154 YQNMZGZHHVJRSW-HKUYNNGSSA-N 474.583 1.864 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1760190414 QJGNZDQAYFPXQV-GOSISDBHSA-N 459.601 1.525 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1760190718 UTKRVWYFNAFACF-APWZRJJASA-N 464.661 1.991 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCNS(C)(=O)=O)CC1 1760264197 FMJRQAKXNOSRPS-UHFFFAOYSA-N 466.995 1.205 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H](C)N2CCOCC2)CC1 1760270926 FVNGKYWJFVPJBA-NRFANRHFSA-N 494.640 1.758 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(NC(C)=O)nc2)CC1 1760271294 SPEFMMJATUHDLG-UHFFFAOYSA-N 489.584 1.507 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2cncn2)C1 1760307924 YGFDYYOXVKGVAY-UONOGXRCSA-N 456.370 1.522 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1760313359 MQOPEXRMLYWUNG-ZCNNSNEGSA-N 494.662 1.603 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1760328199 RXIXGBSMPFOJED-GHTZIAJQSA-N 493.634 1.349 30 10 JDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1760359410 MXXIBESFKIJYCW-UHFFFAOYSA-N 495.628 1.797 30 10 JDEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760449374 IEBZKDIUBIJVAW-QGZVFWFLSA-N 451.535 1.773 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)COCC2 1760495741 WBFLVAXBOIGKOT-OAQYLSRUSA-N 473.599 1.910 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 1760522540 WDSKJEOKLFNPOA-BTYIYWSLSA-N 463.514 1.331 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](Cn2cccn2)C1 1760525059 RZWWXXUTSNSBDA-INIZCTEOSA-N 457.485 1.551 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCS(=O)(=O)N(C)C)C1 1760534671 DKZKRWBXIHKRSX-IBGZPJMESA-N 476.603 1.820 30 10 JDEE CN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)CC(F)(F)F 1768917140 ABCVJPSNHJWMCX-INIZCTEOSA-N 477.495 1.317 30 10 JDEE CS(=O)(=O)CCCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1 1770332401 HLHHUBYOVAFAHJ-MRXNPFEDSA-N 484.376 1.783 30 10 JDEE CS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCC2)CC1 1770351256 CKJSKHPAEPAROC-UHFFFAOYSA-N 487.630 1.733 30 10 JDEE COCCN1C[C@@H](Cn2c(COc3ccccc3OC)nnc2N2CCO[C@H](C#N)C2)CC1=O 1771129222 FYQMRTQDTSVEDI-ZWKOTPCHSA-N 470.530 1.089 30 10 JDEE O=C(NCCOCCO)[C@@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931899 LLPRFUBVFOYSGT-GOSISDBHSA-N 463.581 1.152 30 10 JDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c(C)c1 1889779214 YVMRRFVNGULYRY-UHFFFAOYSA-N 462.616 1.374 30 10 JDEE N#CCNC(=O)CS(=O)(=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019096168 FONOFBCYMYATGG-HXUWFJFHSA-N 485.518 1.423 30 10 JDEE CC(C)(C)OC(=O)N1CCN(c2ncc(Br)cc2C#N)[C@H]2CS(=O)(=O)C[C@@H]21 2174812154 HQBGHRGTNNILOT-KBPBESRZSA-N 457.350 1.938 30 10 JDEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H](O)CNC(=O)OC(C)(C)C 2256623269 BRYCILZMQATCSE-OCCSQVGLSA-N 455.386 1.847 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2266976794 HGADMGDZTASSMZ-DLBZAZTESA-N 450.316 1.835 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]2(CF)CCN(C(=O)OC(C)(C)C)C2)n1 2267116599 PCHFKNXUPKQTJY-HXUWFJFHSA-N 453.324 1.193 30 10 JDEE Cc1c(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267143281 GFNMNCQTXZQFNK-UHFFFAOYSA-N 450.345 1.051 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)n1 2267153802 CZFWFMQTAMPHSU-HUUCEWRRSA-N 450.345 1.224 30 10 JDEE Cc1nc(S(=O)(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2267474416 UTSYWOAFNAIKFX-CQSZACIVSA-N 470.401 1.315 30 10 JDEE CN1CCN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)C(F)(F)F)C1 2267487565 OUPFEJOYBOLJQC-LBPRGKRZSA-N 461.315 1.482 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCc1ccn(Cc2ccccc2)n1 2267711489 LVXNCICHHCEDSW-UHFFFAOYSA-N 457.365 1.443 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@@](F)(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2281979094 LHZLKZGNPLAAHV-OAQYLSRUSA-N 468.335 1.414 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282186824 ZVIBRSZDCDYGPH-HSZRJFAPSA-N 463.384 1.816 30 10 JDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H]2C[C@H]1CN2C(=O)C(F)(F)F 2282307915 KBLWQFDXYYRTNE-CABCVRRESA-N 474.310 1.830 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282347012 RRHXMFFXIMGZJK-CRAIPNDOSA-N 482.408 1.804 30 10 JDEE CN(Cc1ccccc1)[C@@]1(CNC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCOC1 2282618710 SRPZAKGYMRSMKH-HSZRJFAPSA-N 455.368 1.135 30 10 JDEE CC(C)(C)OC(=O)N1CC(C[S@@](C)(=O)=NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282627935 KUPBAEGJNZKGQY-MGBGTMOVSA-N 480.396 1.881 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2282684471 QYMCWPMKPDRQAL-ZWKOTPCHSA-N 461.368 1.785 30 10 JDEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@H]1CNC(=O)CN1C(=O)OC(C)(C)C 2283986903 TYTFGXDGFSFCDC-MRXNPFEDSA-N 479.408 1.741 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284136177 YLDRXAIVDIWDAZ-UAGQMJEPSA-N 482.408 1.395 30 10 JDEE Cc1cc(NC(=O)[C@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2359392598 PXKMOGCETKQQHZ-KSZLIROESA-N 462.352 1.574 30 10 JDEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)cn1 20827686 FNYZLVAIRXNTKU-ODCIPOBUSA-N 457.520 1.717 30 10 JDEE COCCN1C(=O)C(=O)/C(=C(\O)c2ccc3c(c2)OCCO3)[C@@]12C(=O)N(C)c1ccccc12 102562369 QTOZEXZMHYHOKZ-RLRPEEDVSA-N 450.447 1.657 30 10 JDEE CC1(C)OB(c2cnc(SCCCC3CCN(C(=O)[C@@H](O)CO)CC3)nc2)OC1(C)C 204891581 LNPQJAVTLWKKAW-KRWDZBQOSA-N 451.398 1.240 30 10 JDEE C=C[C@H](O)C#CC#CC[C@H](O)[C@@H](O)CCCCCC[C@H](O)CNC(=O)/C=C/c1ccc(O)c(O)c1 257370925 FFYRHMJUEAXLLR-WTBNJKPWSA-N 485.577 1.594 30 10 JDEE biogenic C[C@@H]1C[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)C1CC1)C(=O)CO 675082997 WFWMIFCEHAZDEQ-RBYLSPKKSA-N 476.541 1.827 30 10 JDEE CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N([C@@H]2C[C@@H]2c2cccc(F)c2)C1=O 726402528 GSZCPBSJJWYXMJ-FWLUCNBGSA-N 490.582 1.965 30 10 JDEE CCCc1ccc(C(=O)C(C#N)=c2sc(=Cc3cnn4ccccc34)c(=O)n2CC(=O)N(C)C)cc1 729669409 PDMJIOXJRJFORO-UHFFFAOYSA-N 499.596 1.984 30 10 JDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1cccs1 729673123 TVNHQZHBJFWKFB-UHFFFAOYSA-N 475.599 1.987 30 10 JDEE COc1cc(NC(=O)CSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)cc(OC)c1OC 1083932431 BLLGIRSOWQDZAF-UHFFFAOYSA-N 489.562 1.972 30 10 JDEE Cc1ccc(C(=O)N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)cc1F 1141882023 APODKEHKSREDJF-MRXNPFEDSA-N 458.515 1.657 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1286311706 PIUIZGOAPYYNQW-MJGOQNOKSA-N 479.541 1.217 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCN2CCSCC2)CC1 1286491625 ZIYOYGDGALKMPH-UHFFFAOYSA-N 453.616 1.279 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(=O)NC(C)C)CC1 1286494051 KZYNITXTEQSLED-UHFFFAOYSA-N 466.586 1.562 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1286607127 BKALNXKIKGOKGY-QZTJIDSGSA-N 453.609 1.466 30 10 JDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1286687347 IODDEFVDBXBNFT-KRWDZBQOSA-N 498.631 1.177 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 1286776168 GSHLCVMUOMQORM-VQTJNVASSA-N 461.588 1.983 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OC)C1 1286799523 WOFRKIRPAOMQRD-UYAOXDASSA-N 477.587 1.449 30 10 JDEE C[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1288599043 GELSXYFCAJUPAV-LPHOPBHVSA-N 473.965 1.311 30 10 JDEE CN(C)C1(Cn2c(-c3cccc(C#N)c3)nnc2N(CCS(C)(=O)=O)C2CC2)CCOCC1 1298042354 HWUFORPMEYIUMU-UHFFFAOYSA-N 472.615 1.941 30 10 JDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1300356194 ACILOSUZTZRLMJ-LJQANCHMSA-N 470.599 1.852 30 10 JDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](N1CCOCC1)C(F)(F)F 1300455647 NHUZNZFBGBGRQP-INIZCTEOSA-N 461.448 1.926 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1300487152 GYKFLSNHKJIRGK-QGZVFWFLSA-N 457.535 1.472 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(C)COCCO2)CC1 1300709952 MGLIZHZQQQGWHL-CYFREDJKSA-N 474.606 1.911 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1300719153 QATMYIWPOKDROF-IFMALSPDSA-N 467.570 1.971 30 10 JDEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](C(N)=O)C1 1300740847 FXLDCHYABKUUJC-INIZCTEOSA-N 475.644 1.615 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1301483447 OQAXZAAOYRSRFN-PBHICJAKSA-N 473.375 1.972 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(N2CCNC2=O)CC1 1301513876 BLDKMDHUPXLDKX-UHFFFAOYSA-N 457.510 1.292 30 10 JDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3ccc(NC(=O)CN4CCOCC4)cc3)C2)nc1 1310002317 CHKLOGMALWOHHK-HXUWFJFHSA-N 450.499 1.909 30 10 JDEE CN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1314759918 BAXQDVQHPVOCGM-LJQANCHMSA-N 484.586 1.523 30 10 JDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(CCN(C)C)CC2)CC1 1315055773 COFURZGGXQNJDT-UHFFFAOYSA-N 479.633 1.552 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC(=O)N(C)C)c1 1358900946 WKTFABCYYNSBTI-UHFFFAOYSA-N 460.498 1.070 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(CC)C(C)C)c1 1358902296 JZEGZPKXSGOSMN-FQEVSTJZSA-N 486.642 1.967 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(S(C)(=O)=O)CCCC1 1358972212 XXIJHFNQXJOKRK-UHFFFAOYSA-N 474.608 1.779 30 10 JDEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1CCNS(=O)(=O)Cc1ccon1 1358975914 JCRRYHIUVBJRLR-UHFFFAOYSA-N 463.523 1.607 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccnc1)C(C)C 1358994764 WEMWWHDZLKYWJI-FCHUYYIVSA-N 484.626 1.909 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CC(F)(F)CO2)CC1 1359041835 KDFGNOGGGCIVNY-AVRDEDQJSA-N 481.544 1.709 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCN2CC)CC1 1359179322 RNELIESXLSSYIA-UXHICEINSA-N 466.652 1.888 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1359240631 UCKPAICGWWJARS-HXUWFJFHSA-N 459.616 1.807 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCS(C)(=O)=O)C1 1359321508 HHRDIYRQYDLZPA-MSOLQXFVSA-N 499.634 1.803 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2[C@H]1C 1359333143 PCAQSSYOEMMQLR-VQIMIIECSA-N 495.627 1.293 30 10 JDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1359374565 HQOZLGUMSMASTJ-UHFFFAOYSA-N 451.531 1.157 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cn(C)nc1-c1ccccc1 1359466467 BTVZVVNACBDCND-HOTGVXAUSA-N 456.576 1.933 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)CC1 1360298581 BLYCXTTXFKVPIQ-UHFFFAOYSA-N 476.589 1.225 30 10 JDEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H](COC)C(N)=O)ccc1Cl 1458084018 NIWVLKSFYXKPGU-KRWDZBQOSA-N 451.932 1.951 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 1471451476 TYMMPISUVJGNHP-SFHVURJKSA-N 450.561 1.254 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1507624581 BQMCAPLAVJJYAC-YQVWRLOYSA-N 495.602 1.353 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507633141 BRZGDLHPZFMDKV-CTNGQTDRSA-N 471.627 1.989 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1507633758 GUHKKWDJGKOGMZ-QGZVFWFLSA-N 459.601 1.351 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1507634437 YRTJTQCRDANDHU-IRXDYDNUSA-N 466.585 1.065 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(C(=O)NCC)CCC2)CC1 1507732522 OJKLLJQWDBLKSW-UHFFFAOYSA-N 466.586 1.927 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1507831582 AFQSUDZCWMTGPE-YVGXBJCXSA-N 467.617 1.561 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1507916185 LODBPTIEMHITFC-WMZOPIPTSA-N 468.624 1.270 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1507916773 UOEPQHSXPGFDPN-MOPGFXCFSA-N 494.662 1.805 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1507967016 FSUJSGYCNBEZFH-ZWKOTPCHSA-N 453.609 1.466 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1508082634 VPLCOZBYKSZHSR-UHFFFAOYSA-N 494.556 1.313 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@@](O)(c3cccc(F)c3)C2)nnc1[C@@]1(OCC)CCOC1 1508099447 XQDPPEMEUXIYKV-XZOQPEGZSA-N 459.522 1.469 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1508143423 GSJSHPJMDOSUCR-WMLDXEAASA-N 455.606 1.475 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccnc(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1539200641 NDHJSXOSEDGEFW-HNNXBMFYSA-N 482.513 1.088 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)N1CCOCC1 1539259214 BDKJYMAOBUQPDO-UHFFFAOYSA-N 487.564 1.387 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCOCC1 1539264274 YRXNSGRFSFDFRT-LJQANCHMSA-N 484.601 1.748 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1cccc(F)c1 1539265037 CLFDSXGCYUFQHN-FXAWDEMLSA-N 475.546 1.290 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1539416936 VREHIHGRIDRUNR-HSALFYBXSA-N 451.637 1.634 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)NCC2CC2)CC1 1539466961 KIKPPAQSAYEFMT-UHFFFAOYSA-N 491.596 1.639 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2COCCO2)CC1 1539474678 WWERIIDGNCCEKW-HXUWFJFHSA-N 483.569 1.734 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCC(C)CC1 1539557739 YWASUDHZXCRANC-SXWKCWPCSA-N 478.663 1.724 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](COC)C1 1540865007 RKTPEXKMMDUWCH-KRWDZBQOSA-N 476.603 1.360 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1540874070 UMZOXPUXYBRBKB-UHFFFAOYSA-N 497.575 1.123 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1540874518 JGVIWFBOOAYVMZ-UHFFFAOYSA-N 496.591 1.912 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1540898155 BEWUFXXABGDTGR-ZDUSSCGKSA-N 485.408 1.314 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1540907652 DCAPYLLXTDCJOL-NYDSKATKSA-N 494.589 1.840 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC(=O)N(C)C 1541670768 CWHPXXRRVUNIOW-UHFFFAOYSA-N 452.563 1.088 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCN1CCCC1 1541946973 DNDVHNXLQOAADM-PXNSSMCTSA-N 473.603 1.434 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(C(=O)CCc3ccccc3)CC2)c1 1545267151 XSSSXXCYYIWTHB-UHFFFAOYSA-N 453.564 1.905 30 10 JDEE CCC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1546903344 GPYWOHIKWKMPRG-PKOBYXMFSA-N 475.619 1.902 30 10 JDEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1555428466 DMKXBKVBXNFMCN-WIYYLYMNSA-N 463.560 1.140 30 10 JDEE Cc1nsc(N2CCN(C(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)CC2)c1C#N 1563856381 FFTTUBCPHCDSDF-UHFFFAOYSA-N 454.556 1.827 30 10 JDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1588030381 UBSKEDCAFQVKPQ-KRWDZBQOSA-N 479.990 1.259 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1(S(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1588064451 IITPRZIVBLWURE-GOSISDBHSA-N 492.623 1.081 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1588638222 PVGGHRNKMKROFN-KRWDZBQOSA-N 451.531 1.401 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(COCC)cc2)CC1 1588741318 ATCPSCWELNEXMS-GOSISDBHSA-N 460.604 1.228 30 10 JDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1589069403 KNCZBNXZGXSGPO-FQEVSTJZSA-N 498.609 1.330 30 10 JDEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1589366525 GDJALSHJECNDMC-AWEZNQCLSA-N 457.398 1.958 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1589481931 DZMFVVXDKTWASC-HKBOAZHASA-N 487.649 1.530 30 10 JDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)N1CCSCC1 1594943140 LBWPDPZDJSGVSM-UHFFFAOYSA-N 489.627 1.193 30 10 JDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F)C1CC1 1595054724 PROKSHDAANDICP-RDJZCZTQSA-N 477.553 1.988 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1595466247 HPMKZSQSGQUHPP-UHFFFAOYSA-N 496.616 1.096 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)NC)CC1 1595766824 YHKNRLYPBBMWPF-UHFFFAOYSA-N 484.529 1.609 30 10 JDEE C=CC[C@@]1(C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CCCN1C(=O)OC(C)(C)C 1615917526 UWEBUDNYMYBZNL-FQEVSTJZSA-N 453.565 1.588 30 10 JDEE N#Cc1ncn(-c2ccccc2NC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)n1 1629245074 CVQQNGJUYMUELB-MRXNPFEDSA-N 452.496 1.849 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)cc1 1636100173 XNFJVRAPBRCOGQ-ZWKOTPCHSA-N 451.545 1.661 30 10 JDEE C#CC[C@H](COC)NC(=O)N1CCN(C(=O)c2ccccc2I)CC1 1637389987 OTHXLJMHMUKQOD-CQSZACIVSA-N 455.296 1.797 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCOCC2)c1 1643158948 UBBBTLJCJRQQKH-UHFFFAOYSA-N 451.545 1.402 30 10 JDEE COc1ccc(CN2CCCN(C(=O)Cn3c(=O)c(C#N)c(C)n(C4CC4)c3=O)CC2)cc1 1656801457 ICAOWCQMYUUAEE-UHFFFAOYSA-N 451.527 1.268 30 10 JDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(CCCNC(=O)C(F)(F)F)cc2)CC1 1662993756 KBNAGIHFJYJALW-UHFFFAOYSA-N 459.490 1.448 30 10 JDEE C=CCC[C@@H]1CCCN1C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 1671003729 AUNDYYXLHGJVRL-MRXNPFEDSA-N 459.590 1.931 30 10 JDEE C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)C1 1676030896 LKMSCNHUOAJFCE-KRWDZBQOSA-N 454.980 1.462 30 10 JDEE C=CC[C@H]1CCCN(C(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)C1 1680800665 KBDVMBSXYJCZJQ-INIZCTEOSA-N 459.590 1.789 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCCNC(=O)C(C)C)c1 1689868817 RAPHVCXLWUBYKG-UHFFFAOYSA-N 479.585 1.733 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1689980328 PRQWTYSQJPLKTI-MJGOQNOKSA-N 479.628 1.066 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1689994391 XJZCYCULGIWPQJ-FQEVSTJZSA-N 453.572 1.486 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)N(C)C)CC1 1690137690 GSOUGYJAKFBUPA-KRWDZBQOSA-N 454.575 1.878 30 10 JDEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCNS(C)(=O)=O)CC1 1690384406 PRPCJXDIPCXABG-IYBDPMFKSA-N 454.597 1.754 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1690670581 FLBIOISGKROCQL-KRWDZBQOSA-N 456.507 1.452 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)NC)CC1 1690729044 FEDRQOCPUWPMKL-UHFFFAOYSA-N 462.576 1.228 30 10 JDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CCS(=O)(=O)N1CCSCC1 1705500925 CGWUYCCKDSDDMG-KRWDZBQOSA-N 479.628 1.702 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705563744 DQCBFXAETOHIGE-LJQANCHMSA-N 460.604 1.023 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1705582796 JVZSOLJIIGPLCM-WOJBJXKFSA-N 467.595 1.788 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@@H]1C 1705626618 CPFRHAQUMQFOSR-ROUUACIJSA-N 450.543 1.951 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCS(=O)(=O)NC)CC1 1705632837 CNFCQAMZNMVDQK-INIZCTEOSA-N 466.995 1.376 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@]2(O)CCN(C)C2)CC1 1705633702 WLGMTMQOSUREPI-SQJMNOBHSA-N 452.603 1.857 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1705662179 RWQUYDMFTHCRQG-OTWHNJEPSA-N 467.661 1.094 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1705730958 PTKIILHIXKQTPG-QZTJIDSGSA-N 451.597 1.827 30 10 JDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705738336 UEKOGRKVVASSNA-OAQYLSRUSA-N 453.591 1.599 30 10 JDEE C=C(Cl)Cn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OCC)CCOC1 1705760621 NPNHYHCCIXITPD-QRWLVFNGSA-N 452.943 1.449 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CN1CCCC1)C1CC1 1705854812 OPKTZBIAMZTPSI-MJGOQNOKSA-N 452.625 1.498 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCCN(c2ncccc2F)CC1 1705906284 YWUZVTHOXVXWAC-UHFFFAOYSA-N 450.522 1.817 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccccn2)CC1 1705938321 VHJCQHFHLUSZSI-UHFFFAOYSA-N 470.603 1.462 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1706848701 HCWJFKGKJWGIPW-HBFSDRIKSA-N 475.619 1.528 30 10 JDEE C[C@](O)(Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1)c1ccco1 1706897853 HFSGEKPIBWLRRI-KKSFZXQISA-N 457.512 1.578 30 10 JDEE Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCC(C#N)CC2)n1CC(=O)NC(C)C 1706996388 GSKCWAIKEUJBNS-UHFFFAOYSA-N 458.592 1.811 30 10 JDEE Cc1ccc(C(=O)NCCn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)cc1F 1707316719 HFURNWRHWXYIOP-JOCHJYFZSA-N 457.485 1.720 30 10 JDEE COC1(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1711616657 FZHFPCKRUAGQJE-YJBOKZPZSA-N 456.544 1.012 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCOC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1722366261 HSZBFKISIITRMQ-VAMGGRTRSA-N 466.604 1.385 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(NC(C)=O)nc1)[C@H]1CCS(=O)(=O)C1 1722367356 MURCKUAXXINPJH-MOPGFXCFSA-N 472.571 1.201 30 10 JDEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722463417 BOWCPKUVEIYDEY-QGZVFWFLSA-N 470.624 1.392 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(CS(C)(=O)=O)CC2)C1 1722716183 TYVCDENLGXGGHF-GOSISDBHSA-N 494.639 1.955 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC1CCOCC1 1722867647 HAXMCTYGXMWEGJ-WMZOPIPTSA-N 454.597 1.414 30 10 JDEE Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)c(N2CCOCC2)c1 1724350810 FBCGBLRALNGOLA-QZTJIDSGSA-N 475.619 1.678 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1729738861 CCJVOXCDGPLNMP-INIZCTEOSA-N 459.576 1.059 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2Cc2nncn2CC)c1 1740565592 XTRWWEUMWCUUQZ-UHFFFAOYSA-N 472.557 1.856 30 10 JDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1740581997 IVGIPDMACAHECK-HXUWFJFHSA-N 488.570 1.898 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cnn(C)c2)CC1 1740592306 VBTSTDSJQBWGKZ-LJQANCHMSA-N 461.592 1.142 30 10 JDEE C#CCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740593839 RVQDLUMTNVVWHI-UHFFFAOYSA-N 461.570 1.937 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CN(C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1740622194 AOYCCPQUDOCXLO-NHCUHLMSSA-N 484.626 1.356 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740624299 HWALVSAZDLCRFB-JOCHJYFZSA-N 471.627 1.412 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740625035 CNVWHUZMLXOYAS-MOPGFXCFSA-N 463.604 1.549 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCCS(C)(=O)=O)CC1 1740695440 RIDGBGDUDWHRPX-UHFFFAOYSA-N 497.625 1.255 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN(C)C2CCCC2)CC1 1740701117 VDIIPCJYMZMBJJ-UHFFFAOYSA-N 478.601 1.766 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740710698 AROLIJZQRCMLHD-INIZCTEOSA-N 476.628 1.229 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(CCN(C)C)CC1 1740724488 DNGWAGVSMUBIFF-XMSQKQJNSA-N 465.668 1.154 30 10 JDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1740742820 CKVSXUSTNAAUCL-LBPRGKRZSA-N 472.365 1.928 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCCOC)CC1 1740756023 DXVVPRDGEWUXSZ-UYAOXDASSA-N 457.579 1.639 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(OC)C2CC2)CC1 1740839938 QPNSDBFFZCGNHW-NQIIRXRSSA-N 453.609 1.829 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCCCC2)C1 1740981507 PFKMZYLZIDYHPN-MSOLQXFVSA-N 469.608 1.088 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1740983704 NZBNLXRFNJXXKO-DENIHFKCSA-N 462.572 1.231 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](COC)C1 1740988395 CXLSZTMYLBMPGI-KRWDZBQOSA-N 464.544 1.169 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1740991340 UNGRIJNMNKVNLW-QGZVFWFLSA-N 492.627 1.290 30 10 JDEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1741098248 BQUJZGDJJMEQRX-UHFFFAOYSA-N 451.531 1.028 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(C(F)(F)F)c1 1741131891 HUFZLFRFGXTIJF-ZFWWWQNUSA-N 487.508 1.669 30 10 JDEE CCOC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1746607553 BWALMKUFWVEHOR-IBGZPJMESA-N 476.603 1.934 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748649694 SACVIWWOUJRAPE-QWHCGFSZSA-N 455.382 1.775 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCN(CC)CC1 1748670750 BIAWYNYNMOQZCW-OAQYLSRUSA-N 465.650 1.938 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@]2(OC)CCOC2)c1 1748690035 LSNLVYPIMSHSEX-HSZRJFAPSA-N 454.531 1.278 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCCc2cnn(C)n2)c1 1748692418 HBXFYIKGKWWHJR-IBGZPJMESA-N 462.558 1.990 30 10 JDEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1748702561 LIUUKLFTMPZFNV-UHFFFAOYSA-N 453.938 1.737 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748817765 PVWZYFPRXDVZLU-NNWRFLSQSA-N 471.627 1.929 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1748818691 DTQRHXMTNLJGHM-HXUWFJFHSA-N 481.578 1.956 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1749011151 WJJZERXQKMXIJJ-OSPHWJPCSA-N 453.543 1.459 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1749413803 YRVYQFFRLDDJEF-ZDUSSCGKSA-N 466.530 1.749 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1749659551 GVAWPKQLQHREMA-QGZVFWFLSA-N 470.574 1.958 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1749664577 SDDMLVWVGPNHRY-LJQANCHMSA-N 488.614 1.187 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)C(C)C)CC1 1749680746 PXVXAJZMEGZZEU-UHFFFAOYSA-N 456.547 1.473 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)c3ccsc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749682449 UIMVEILRGFOADO-QHCPKHFHSA-N 488.614 1.645 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1749723893 CIRGYPADGSZJPW-UHFFFAOYSA-N 494.625 1.863 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@](C)(OC)C1 1749738632 SHLADKURXJCXBX-HXUWFJFHSA-N 467.617 1.876 30 10 JDEE CC(C)CCN1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CC1 1750800983 BMNYHRZBXBXVPX-WOJBJXKFSA-N 464.636 1.667 30 10 JDEE CC(C)CN1CCO[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 1750844875 FWTPZFGHSULBDA-YKSBVNFPSA-N 451.575 1.875 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1760129832 AJHGSAZCUMYMLI-IAGOWNOFSA-N 471.591 1.069 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc([C@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1760179116 MSLFRRWCFTUSMA-FXAWDEMLSA-N 471.583 1.242 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1CC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1760182746 LQKDBNSRQUPMPR-QGZVFWFLSA-N 456.572 1.988 30 10 JDEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCOCCCO)[C@@H]1CCS(=O)(=O)C1 1760183956 FMDOXEKOGICLGX-LJQANCHMSA-N 469.567 1.519 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1760188022 ZCHYYDODOGPXEP-IWAYBZMOSA-N 482.578 1.685 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760189073 NEQMLVWZKDHKPH-SFHVURJKSA-N 487.607 1.764 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1760191356 GAIBSXAKAMDDGP-PKTZIBPZSA-N 483.638 1.949 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1760191751 MRDMERBLHFDPNL-FPOVZHCZSA-N 467.551 1.701 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(=O)N(C)CC)CC1 1760259896 RGEXNIHTFKJPFI-IBGZPJMESA-N 473.622 1.626 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1760272212 CJFMJQJUXCPZDJ-UYAOXDASSA-N 475.663 1.162 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1760341830 ZFCHYZBKRITPKW-MRXNPFEDSA-N 466.583 1.934 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C(C)C)N2CCCC2)C1 1760543863 SXOJXJSTPJYIAU-NJYVYQBISA-N 496.678 1.513 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CCC)C(=O)C1 1760551979 YECUNSLWQRHXCJ-UHFFFAOYSA-N 456.572 1.866 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1760555782 NILJUIPROXHYNE-LJQANCHMSA-N 492.646 1.449 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C(C)C)C1 1760556326 ZZTIRVSPEDHRIH-HXUWFJFHSA-N 489.646 1.914 30 10 JDEE CN(C)CC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1768506192 AIGVOWDBGXFXKS-SFHVURJKSA-N 460.604 1.940 30 10 JDEE COc1ccccc1-c1nnc(N(C)C[C@H](C)C#N)n1CCS(=O)(=O)N1CCSCC1 1768859339 FMSILPKDULWDBM-MRXNPFEDSA-N 464.617 1.928 30 10 JDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CCS(=O)(=O)CC1 1772564025 HQPFRGJNNIXFGK-UHFFFAOYSA-N 461.592 1.014 30 10 JDEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCNC=O)=C(N)Oc2c1c(CC)nn2CC 1864327741 XQHFXICXGGCAJT-LJQANCHMSA-N 453.543 1.977 30 10 JDEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CC(O)C2)=C(N)Oc2c1c(C(F)(F)F)nn2C 1865226431 QHFYPXUMLYSCAN-CQSZACIVSA-N 450.417 1.901 30 10 JDEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2C[C@@H](C)C[C@H](C)C2)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865736102 INTCKQXGOCXWKP-TXPKVOOTSA-N 480.565 1.848 30 10 JDEE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C(=O)Nc2ccccc2C#N)cc1 1866581551 DYUBTPFYTHDJJH-PGRDOPGGSA-N 483.546 1.974 30 10 JDEE Cc1ccc([C@@H](C#N)NC(=O)[C@@H](CO)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 1867924685 GFCWADHELYHSSD-FGZHOGPDSA-N 486.484 1.856 30 10 JDEE O=C(NCCCN1CCOCC1)[C@@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869932060 RXUZUOBNDILHTL-JOCHJYFZSA-N 495.605 1.656 30 10 JDEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(C)=O)s2)c(=O)cc1CSc1nnnn1C 1870308649 PEXDGCRDQWRHHX-UHFFFAOYSA-N 475.556 1.835 30 10 JDEE CCCCCCCCN1C[C@H](C(=O)N2CCC(C(=O)NCCN3CCOCC3)CC2)CC1=O 1872925632 IJYXMYCQMXJTIU-JOCHJYFZSA-N 464.651 1.882 30 10 JDEE Cn1cc(I)c([C@@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 2074369675 BFYDBKNCPRFYED-DGCLKSJQSA-N 460.320 1.469 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1c1ncccc1B1OC(C)(C)C(C)(C)O1 2224127829 NNMVZFQDEWIQQD-UHFFFAOYSA-N 453.370 1.768 30 10 JDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)(C(=O)O)C1 2255636485 VECONBKOXSMPES-UHFFFAOYSA-N 453.326 1.246 30 10 JDEE C[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)[C@@H](C)NC(=O)OC(C)(C)C 2255748830 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CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2267558174 YCMZIEYGZUPBPP-IJEWVQPXSA-N 468.381 1.118 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268628569 JOUKOSLRNCHRSD-KBPBESRZSA-N 467.397 1.676 30 10 JDEE Cc1cnc(C(=O)N2C[C@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2281950708 ZQZDJAHIKISQSV-HZPDHXFCSA-N 461.368 1.789 30 10 JDEE CCn1cc(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)C[C@@H]2C)nc1B1OC(C)(C)C(C)(C)O1 2282039662 YMMAGOSKHGZGDJ-QWHCGFSZSA-N 458.290 1.874 30 10 JDEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282091110 TXOIWWLPYJPLMH-UHFFFAOYSA-N 459.352 1.533 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CO 2282171476 KRLQWSXYSVPSIO-GOEBONIOSA-N 462.356 1.124 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 2282173329 HYEAITVRQMJDPE-RCDICMHDSA-N 461.372 1.443 30 10 JDEE Cc1c(C(=O)NC[C@@H]2COCCN2Cc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282545343 WGOJHVVHQFIAFC-LJQANCHMSA-N 454.380 1.659 30 10 JDEE Cc1nn(C)c(C(=O)N2C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282585477 MFLIOEWBJOVAJG-CABCVRRESA-N 464.372 1.128 30 10 JDEE CC(C)(C)OC(=O)NCC(CO)(CO)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282609746 MSBOMAMOGUROHE-UHFFFAOYSA-N 485.774 1.012 30 10 JDEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282616037 VXYRCQBUHRMHOR-WOPDTQHZSA-N 459.278 1.032 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCC[C@](C)(NC(=O)OC(C)(C)C)C2)n1 2282832850 SMFATWVPFJTCDH-NRFANRHFSA-N 484.428 1.787 30 10 JDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3CNCCN3Cc3ccccc3)cc2)OC1(C)C 2282864979 NPGZKHGFPROPJL-OAQYLSRUSA-N 471.432 1.738 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282989801 KFZTZUYRHHGXTL-CVEARBPZSA-N 462.352 1.792 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@H](O)C1 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C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1286396316 DGRVMGSIRJVPCB-SJORKVTESA-N 466.608 1.464 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1CCCO 1286401017 HZLAGTSFEWIIPL-HXUWFJFHSA-N 455.584 1.268 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2nnc(C)s2)CC1 1286486205 CWWOFONUNIRPMK-UHFFFAOYSA-N 499.622 1.523 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCCS2(=O)=O)CC1 1286491632 ZNJQEFTYEBYZBY-UHFFFAOYSA-N 488.589 1.009 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286527994 WEEQMROUORCVQP-YADHBBJMSA-N 455.540 1.270 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286542966 FRZWHEMKBFDZDL-MRXNPFEDSA-N 480.367 1.076 30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCn2cc(CO)nn2)CC1 1286639969 FERGUYZSCPIWNF-UHFFFAOYSA-N 486.602 1.526 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@]2(CCOC2)C1 1286780598 GKDVNYGHSCNCMY-HSZRJFAPSA-N 454.531 1.445 30 10 JDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1CCCO)S(C)(=O)=O 1286974924 AYAAYMOORYQLHX-LVCYWYKZSA-N 474.631 1.921 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)N(C)C 1291194704 CCUJFUCVYJJLHK-SQGPQFPESA-N 481.605 1.662 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1(O)CCOCC1 1298283266 AMIIOBPHEFTMEW-IBGZPJMESA-N 459.572 1.620 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCOC[C@@H]2C)c1 1300332742 MMLBMYYQOKLDKD-QRFRQXIXSA-N 450.543 1.958 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1300362984 BLQUEZMFYAHUAH-KRWDZBQOSA-N 464.661 1.987 30 10 JDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1300479424 OLCUEUPXCAJYNY-KRWDZBQOSA-N 477.974 1.013 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300490979 DCRMDOKXNOXQMG-OALUTQOASA-N 471.631 1.872 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300498138 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C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1359296847 WOPYQZMNXZJJCP-CZUORRHYSA-N 459.348 1.725 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1359299015 RNWVMPYOPCMNMW-HOTGVXAUSA-N 450.547 1.815 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1359300627 GUVMHNGJUBSXRQ-APWZRJJASA-N 492.602 1.119 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1359326797 JYMWRVWBVDFDOC-ZIFCJYIRSA-N 497.643 1.456 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc2c(c1)OCO2 1359327159 UKIYDJGJOLPSEY-UHFFFAOYSA-N 461.544 1.480 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1359331860 JOBZAJMALMNNPT-MSOLQXFVSA-N 450.565 1.432 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(Cc2cscn2)CC1 1359333772 JFVDKYGFMSMONP-UHFFFAOYSA-N 473.628 1.643 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CC(=O)N(C)C[C@H]1C 1359335137 BVGNWPIAYSINDQ-QGZVFWFLSA-N 461.588 1.687 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1359343562 VSYXTUXWHHZLAE-OALUTQOASA-N 469.677 1.648 30 10 JDEE C=CCCn1cc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(I)cc2)nn1 1463182277 LQGBFLJOTRWSIT-HNNXBMFYSA-N 451.268 1.772 30 10 JDEE Cc1nc(C)c(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)s1 1492659539 DVYYXSSBCTYYSP-KBXCAEBGSA-N 469.568 1.175 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCN1CCC[C@H]1CO 1507535042 XADYZHLLWGZTMT-MOPGFXCFSA-N 463.586 1.887 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(S(C)(=O)=O)cc1 1507538658 ONXPMNHYUODMQG-HOTGVXAUSA-N 466.585 1.121 30 10 JDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507570228 MUMBRJQJXRZADX-UHFFFAOYSA-N 485.614 1.647 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1507630726 GNHKOWUEMQLIPG-KRWDZBQOSA-N 455.540 1.998 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCO[C@H]1C 1507652056 DGIBACZGBSMGMV-BSRJHKFKSA-N 459.547 1.199 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](OC)C(C)(C)C)CC1 1507734342 VSPVOGWBDAAHNH-SFHVURJKSA-N 467.574 1.952 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCc2ccc(OC)c(OC)c2)CC1 1507738597 RVJUZYZKBSPMNI-FQEVSTJZSA-N 494.596 1.845 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2CC(=O)NC(C)C)CC1 1507740193 JSZSVOIAFSPXEB-UHFFFAOYSA-N 461.570 1.772 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cnn(CC(C)C)c2C)CC1 1507740280 ZVZVMHDYPRXCKR-FQEVSTJZSA-N 453.591 1.957 30 10 JDEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1508049578 DJBCHSLWBYQUDL-UHFFFAOYSA-N 464.368 1.806 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(C)C)C1 1508089978 GUISMVNVMPEDDV-QZTJIDSGSA-N 478.594 1.750 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3cnccn3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508096995 FTVKHQGNJOUTAA-HDICACEKSA-N 497.604 1.468 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(C)=O)C[C@H]2C)cc1 1508100989 SBGJGDXBOFWJKX-YLJYHZDGSA-N 473.599 1.850 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(N3CCCC3)CCOCC2)C1 1508108223 FQRXAYXJTCSHPM-OALUTQOASA-N 482.651 1.315 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C)C1 1508134023 AOSOTZSZIQSALM-CYBMUJFWSA-N 458.382 1.872 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1508135131 YYZKPAZSSDLJMU-XLIONFOSSA-N 490.630 1.436 30 10 JDEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCNC(=O)c1cc[nH]n1 1513013887 BINSPVAZLOVAGQ-OAHLLOKOSA-N 465.566 1.185 30 10 JDEE CCN1CCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1515877543 GBRUXNOIWNBUPR-FPOVZHCZSA-N 467.574 1.554 30 10 JDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN2CCCC2)CC1=O 1519229163 HHFWXBDPTYGPDY-IBGZPJMESA-N 451.575 1.844 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539205048 FULMKPUVWLDMDV-HFMPRLQTSA-N 488.610 1.945 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 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COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)C[C@@H](C)O1 1555385031 AYHLGCSXLHCDHG-APWZRJJASA-N 459.572 1.882 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1 1557352381 PWXJLUWBVSQCRE-XZOQPEGZSA-N 453.564 1.714 30 10 JDEE COCCNC(=O)CNC1=CC(=O)[C@]2(Oc3c(Cl)c(OC)cc(OC)c3C2=O)[C@@H](C)C1 1565538770 SCMVCFCUIFWUFM-WIUDPPPLSA-N 452.891 1.516 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC(=O)NC(C)(C)C 1587823388 PENNIXCLAOVESU-UHFFFAOYSA-N 460.604 1.960 30 10 JDEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCCC)[C@H]1CCS(=O)(=O)C1 1588054673 PJQKGVJIEXFILW-IBGZPJMESA-N 457.604 1.879 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588055517 XBJNJQRQOBRUFM-SQNIBIBYSA-N 463.629 1.773 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1 1588082010 NFBZIFNTPHJNIG-UHFFFAOYSA-N 454.504 1.811 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCOC1=O 1588218921 HXROPZPOQWRAGW-UHFFFAOYSA-N 459.510 1.497 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CS(C)(=O)=O)c1 1588229374 VRFVMLOOJYMDFK-HXUWFJFHSA-N 474.608 1.236 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1588913234 DBVNPGBNELRMSZ-BGYRXZFFSA-N 467.618 1.749 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1595529690 DNUFCTBPDFNECK-UHFFFAOYSA-N 476.585 1.953 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2nncn2C)C1 1595687820 CZRSHABFKKBXKP-QGZVFWFLSA-N 472.575 1.154 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1595705545 AKVPIQVMIDSWBS-HXUWFJFHSA-N 461.526 1.385 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCCO[C@H](c2ccccc2)C1 1595821177 ARLZDOMPJJKAKE-FQEVSTJZSA-N 473.599 1.969 30 10 JDEE CCCNC(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1614959831 BWOQOLMHWTVFEP-QGZVFWFLSA-N 460.546 1.633 30 10 JDEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCSCC1 1618303275 FRRNFHILCPXNDU-UHFFFAOYSA-N 471.631 1.546 30 10 JDEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)C1 1618653714 GSGFAECYRJXWJB-AZUAARDMSA-N 467.574 1.412 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)CC1 1628146342 FXKQJTRHYUWUJQ-JOCHJYFZSA-N 451.489 1.938 30 10 JDEE Cc1nc(C#N)c(C#N)n1CC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 1641071104 DGXZTXYXYXDRNB-UHFFFAOYSA-N 459.432 1.737 30 10 JDEE C=CCn1cc(CNC(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2)nn1 1643214124 MAJFECUJUVIOPK-UHFFFAOYSA-N 455.496 1.966 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CS(=O)(=O)c2cccc(F)c2)CC1 1652205268 AQHKRMTUGBTGHP-UHFFFAOYSA-N 451.501 1.004 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCn3c(O)nc4ccccc43)CC2)cc1 1678570869 BTIAPVSNBDKOKP-UHFFFAOYSA-N 454.512 1.330 30 10 JDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1689961275 RKUWUYKEDWCNAY-QGZVFWFLSA-N 483.598 1.558 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689989054 ARNGCGOKWLRGQH-SQNIBIBYSA-N 481.619 1.712 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1C[C@H](C)O[C@H](C)C1 1690039895 WCUAQVOVTRCYEZ-OYRHEFFESA-N 473.585 1.883 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSc2ccccc21 1690104136 NOQMPYROONCILN-IEBWSBKVSA-N 491.639 1.587 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2sccc2Br)CC1 1690124490 MEEUORUXBIIRBA-CQSZACIVSA-N 484.445 1.808 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@](C)(O)CCOC)CC1 1690140353 WFRXMKPVKXKLNI-XMMPIXPASA-N 455.559 1.707 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1690143821 CQDYDYUKFHIQTH-NTKDMRAZSA-N 484.988 1.756 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1nncn1C 1690484947 HUZCWNQYIUIGPV-CVEARBPZSA-N 450.569 1.047 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)N(C)C 1690567548 HONGVVLRIDNNTB-UHFFFAOYSA-N 464.567 1.737 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CC(C)C)C(=O)C1 1690662104 RBTLTTUEAPQDMY-UHFFFAOYSA-N 462.558 1.942 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(NC(=O)C(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690677480 XVVVRCMWXCYWPM-HSZRJFAPSA-N 462.595 1.362 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCc3sccc3C2)C1 1690686292 LRDPEEFEPWGTLH-FUHWJXTLSA-N 480.660 1.789 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2csc(C)c2)C1 1690699399 DUZMUJDIWYGCPQ-ZWKOTPCHSA-N 467.617 1.811 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1690729036 DVMFLFLCAFOVRB-QFIPXVFZSA-N 475.571 1.183 30 10 JDEE CC[C@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)CCO1 1694446602 FJVXGIRMRGICFS-XMMPIXPASA-N 451.575 1.986 30 10 JDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1705566832 QWQMYQPEAJAXPD-ZWOKBUDYSA-N 459.572 1.367 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705568484 OJMTZYRGDWLPDY-IAGOWNOFSA-N 469.608 1.745 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705568682 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COc1cc(C#N)ccc1OCC(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1148328431 FBPBIWFBXUKNRJ-UHFFFAOYSA-N 458.540 1.068 30 10 JDEE CC#CC[C@@H](CO)NC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1227749755 UHKDIBAMVMYHRK-CVEARBPZSA-N 458.378 1.676 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(O)CCO[C@H]2C)c1 1286310124 WZLHVGCDLLYGKR-GKVSMKOHSA-N 482.585 1.793 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1286387502 FSKUQUDXYCDCGX-DLBZAZTESA-N 498.030 1.588 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(C)CCCO2)CC1 1286487965 IPGRMHQGQTVKHK-ZEQRLZLVSA-N 459.591 1.854 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1286494474 UKPXLELEMAJCJB-RTBURBONSA-N 498.550 1.401 30 10 JDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)NCC)CC1 1286499472 LXWCPGMGNBDVJN-UHFFFAOYSA-N 470.599 1.341 30 10 JDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](CNC(C)=O)C1 1286508359 HTPRGPSVVGVHAB-YLJYHZDGSA-N 457.556 1.498 30 10 JDEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1286593708 VIKNMTPNXPIQDO-UHFFFAOYSA-N 472.500 1.190 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1286781714 YJVGSAXYOCHXMD-MRXNPFEDSA-N 468.562 1.359 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1286788947 KQYRXNZEQROQOE-IBGZPJMESA-N 483.592 1.443 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286791932 HOLNLLQZBYNHNY-OAQYLSRUSA-N 463.535 1.313 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C)CC1 1286817316 RFSGDAQCXGBDRQ-UHFFFAOYSA-N 454.560 1.366 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1300391744 SMUJYKQYPQCXSK-HXUWFJFHSA-N 467.599 1.785 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1300483475 KEUPACLATQLZIE-HKUYNNGSSA-N 479.628 1.180 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC[C@H]1C[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1300485110 WZVHBISIQBNVFS-RYLXDESZSA-N 454.568 1.695 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1300488665 UJNRHGGIPRGMRT-GOSISDBHSA-N 454.556 1.845 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(Cl)cc1 1300578844 PWEVIEFSQKIXCN-HXUWFJFHSA-N 492.001 1.806 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCNC(=O)c2occc2C)CC1 1300708602 WDYINBZSPOJWLY-UHFFFAOYSA-N 495.609 1.746 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCN(CC)C2)CC1 1300712107 MCOWDTUBMFKCLF-SFHVURJKSA-N 464.574 1.233 30 10 JDEE C=C(Br)Cn1c(N2CCN(CC(=O)NCC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300863947 WQKKEAURZNJHJI-FQEVSTJZSA-N 485.427 1.485 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 1300876020 RBLXTPAEDYUCGU-QRVBRYPASA-N 495.650 1.207 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1300952070 HMIBNVPZFIRXKV-HXUWFJFHSA-N 488.614 1.458 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1301510053 RUICFIIBPHSOTQ-UHFFFAOYSA-N 472.500 1.795 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=C)Br)C1 1301555476 CDIVSHRAAUYEHO-HUUCEWRRSA-N 476.397 1.301 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1301567009 FANLSVSUFJVSSS-DOTOQJQBSA-N 460.560 1.530 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358870199 HVKYSZLLXPXBSO-KSZLIROESA-N 471.587 1.588 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1358905183 USBDNMGKSPHUOL-LJQANCHMSA-N 472.615 1.583 30 10 JDEE C#CCCCCn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1358917791 BDVWHBVEMJUERX-DEOSSOPVSA-N 472.590 1.005 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCS(=O)(=O)C(C)(C)C)CC1 1359032824 DXGPMWFJNGAJPF-UHFFFAOYSA-N 459.572 1.642 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC)c(OC)c2)CC1 1359044707 MMHGFDOXWNAUJO-IBGZPJMESA-N 453.543 1.813 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1359057051 QWZZQVFHNASECP-GOSISDBHSA-N 489.671 1.787 30 10 JDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1359142965 RKRAILYAMMUKDW-CQSZACIVSA-N 469.955 1.876 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1359208429 LSMMESIVELDKTJ-OAHLLOKOSA-N 464.552 1.484 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1359328287 ZCVZWPBDWDZWKD-AZUAARDMSA-N 491.614 1.587 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1359334176 VWPOJZGKNKBPES-QUCCMNQESA-N 460.604 1.022 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359336644 XLYBEBLWQLVOEI-BRWVUGGUSA-N 466.608 1.011 30 10 JDEE C=CCN(C(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1)[C@H]1CCS(=O)(=O)C1 1435069560 QDISXKYEUHPKQC-HNNXBMFYSA-N 454.595 1.958 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cnn(CC(=O)N4C[C@H](C)O[C@H](C)C4)c3)cc2C1=O 1435202859 KMFMSQYKGNZBFH-GASCZTMLSA-N 451.483 1.553 30 10 JDEE C#CCN(c1nnc(C)n1Cc1ccccc1CN1CCC[C@H]1CO)[C@@H]1CCS(=O)(=O)C1 1507625928 LRJMYQIIWWPFMS-FCHUYYIVSA-N 457.600 1.218 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1c(F)cccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1507633680 UMWOIRXYFDZPDF-CZUORRHYSA-N 497.499 1.645 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@@](=O)CC 1507701383 FKERSZKVPYXONH-GTJUCTONSA-N 497.618 1.159 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCN(CC)C2)CC1 1507718017 KVUYYEQIZKMAHL-HXUWFJFHSA-N 485.658 1.292 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(O)CCOC2)CC1 1507741284 YRHUMTINYZRJMN-RUZDIDTESA-N 467.570 1.591 30 10 JDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1507824010 ORERYNORTHPXIR-UHFFFAOYSA-N 452.563 1.636 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1507830455 AJIWYAYMROTCSV-IBGZPJMESA-N 482.557 1.792 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(CCO)Cc1ccc(Br)s1 1508090354 HWMAZIISSBDSCA-CYBMUJFWSA-N 470.393 1.907 30 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BXFJUXZXPYNUEE-FQEVSTJZSA-N 473.622 1.974 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)N(C)C2CCCCC2)CC1 1539463184 WPPOEGQNXZWYKU-UGKGYDQZSA-N 458.607 1.548 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC2(C(N)=O)CCOCC2)CC1 1539476521 ZNLHUYRPRHSGHX-UHFFFAOYSA-N 480.569 1.202 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1540006791 WQNUIYJZKHFFDG-MISYRCLQSA-N 464.636 1.135 30 10 JDEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1540042503 OSFWRSDRVPCPKK-WOJBJXKFSA-N 490.649 1.963 30 10 JDEE C=CCNc1ncc(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)s1 1540365688 URLAFKARJOBULJ-UHFFFAOYSA-N 450.571 1.892 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCN(C)C(C)(C)C2)C1 1540884367 OEICIVQFGCRNNT-YKSBVNFPSA-N 462.639 1.738 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1540892675 QBIXFWRPJHPFCU-IAGOWNOFSA-N 497.618 1.255 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCOC[C@@H](C2CCC2)C1 1540897329 GYJKWTNVKNEVCO-SFHVURJKSA-N 474.587 1.779 30 10 JDEE CCOC1CC(O)(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@](F)(C#N)C2)C1 1548038087 CKJZGZSFEJQBIN-WJAMPBCPSA-N 463.535 1.721 30 10 JDEE COC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)C1 1555362908 DKIDNQOGCIZNOW-QGZVFWFLSA-N 471.543 1.397 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(SC)c1 1587637997 AACRMQFKGFRJBL-GDBMZVCRSA-N 450.590 1.234 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(OCC)c1 1587639789 NDSPDPOGYROVFJ-PXNSSMCTSA-N 461.588 1.710 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@H]2CC(=O)N(CCOC)C2)c1 1587689518 JTTJLYOJUZBHPQ-IBGZPJMESA-N 475.553 1.824 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588025142 SYBNEHMXVLPZIH-RBUKOAKNSA-N 459.572 1.431 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1588028802 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C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1748805569 UUHAHKGXAUACCY-SIKLNZKXSA-N 459.572 1.195 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1748824528 PWAXWZXNUMUPFT-PMACEKPBSA-N 487.626 1.834 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(O)CCSC2)CC1 1749001610 XTCFUSLOUBNRJT-QFIPXVFZSA-N 462.620 1.030 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)Cc2ccccc2)C1 1749707465 FLVGZCPMUSOSSZ-MOPGFXCFSA-N 459.572 1.626 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1749731006 YSYNHZUHJRAAMG-UHFFFAOYSA-N 487.561 1.267 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2c(F)cccc2F)C1 1750211289 ICJZLFCYOAZOKB-FXAWDEMLSA-N 484.504 1.574 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](CC(C)C)NC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1760189588 VLNZUAZELOAFHD-VAMGGRTRSA-N 495.646 1.960 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1760191741 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1507738357 OBEYLNAEKLONRD-DOTOQJQBSA-N 481.523 1.079 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1507863428 FOFLEKQBXUIUBR-VMWRSERWSA-N 464.014 1.799 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@](C)(OC)C1 1508084508 CHTHDVFEDKPCRE-HSZRJFAPSA-N 451.531 1.500 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1508137347 ZLAJWARIPOLIDE-JOCHJYFZSA-N 475.571 1.422 30 10 JDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H](C)N1CCN(CC)CC1 1513917160 ICGAWQVUXZOUTN-GOSISDBHSA-N 454.627 1.107 30 10 JDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1517428820 IASIADQESVUZBA-IBGZPJMESA-N 451.575 1.747 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccccc1C 1539012934 HEEHIFWNVDCZAN-QUCCMNQESA-N 461.588 1.846 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCC2)c1 1539042546 HVKPTBLDLNDDLP-HXUWFJFHSA-N 484.626 1.722 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1539093695 CLLHKFAJGHGWRV-QGZVFWFLSA-N 454.597 1.606 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1539474033 HVHORZRPVNJLQF-QGZVFWFLSA-N 469.977 1.874 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1539476609 CBJIULHZUPXYQQ-GOSISDBHSA-N 496.568 1.269 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539646624 ZCVJJUAUAZVTGZ-QIJZPMMNSA-N 497.662 1.891 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1539683532 WOCVXOUEPUTFSP-INIZCTEOSA-N 464.567 1.495 30 10 JDEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539985580 LKVZRQDQDZUIRY-GFCCVEGCSA-N 465.377 1.882 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1540902825 RHYLBHGMAARBMM-MRXNPFEDSA-N 460.622 1.176 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@]1(O)CCSC1 1541946746 AFAFUVYDFJACRV-KLHJMIIUSA-N 492.627 1.206 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(I)cc2OC)CC1 1542895029 XHYSXMWJGPPRSI-UHFFFAOYSA-N 455.296 1.197 30 10 JDEE CCNC(=O)COc1cccc(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 1587497735 GLVNBHXUUNIRJD-HNNXBMFYSA-N 458.540 1.335 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCCCC1 1587640426 RJOUWXPGTIXRJP-QZTJIDSGSA-N 453.609 1.666 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)N1CCCC1 1587990635 ZQLKGCOEKAHNGC-SFTDATJTSA-N 472.615 1.518 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 1588025401 YQNRPCHZYIYGTI-MRXNPFEDSA-N 494.415 1.854 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCOCC1 1588550506 TXNWSVCBMQEXQF-LJQANCHMSA-N 489.573 1.208 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1588899668 ULVLSBMGALMOLG-SFHVURJKSA-N 485.610 1.744 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2(SC)CCN(C)CC2)CC1 1588962112 UXOJDIIVOWYSPV-UHFFFAOYSA-N 487.674 1.194 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1589070451 TUSYKWLKMMLLLK-ROUUACIJSA-N 480.660 1.129 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1589394965 QEDQQXAQLXQYNW-JCGIZDLHSA-N 494.438 1.517 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCOC1 1589544796 KCAFOFAYUWQMEJ-WTGUMLROSA-N 483.635 1.455 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1593636752 RLLJVTOMGHKQLE-IAGOWNOFSA-N 484.623 1.681 30 10 JDEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1594504592 YEEFINQBBXELMZ-UHFFFAOYSA-N 479.589 1.815 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NC1CCCCC1 1594962766 NGENFIJEMJBRDR-QGZVFWFLSA-N 454.597 1.072 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)NCCC)c1 1594963764 WZTNMWLIXIGYKJ-LJQANCHMSA-N 476.603 1.421 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1595536978 KFMDEPPTNUXYLD-UHFFFAOYSA-N 478.557 1.591 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccco2)CC1 1595884919 WZAVGBCOKIIMFP-MRXNPFEDSA-N 465.601 1.655 30 10 JDEE Cc1nccn1CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1612443558 GHGPACUDRKIJBL-UWJYYQICSA-N 498.613 1.933 30 10 JDEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1([S@](C)=O)CCC1 1618565438 HCGAOFBHBCRCKR-FTDQSSOUSA-N 458.588 1.848 30 10 JDEE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)c2)CC1 1625311770 FUPVJHPJUVLOQA-UHFFFAOYSA-N 455.540 1.718 30 10 JDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nn1cnc2sc3c(c2c1=O)CCCC3 1628768253 HWRRCWLPHHDLRG-GFCCVEGCSA-N 457.537 1.646 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)c1 1630496262 BXENLRMADZIBAF-UHFFFAOYSA-N 457.508 1.088 30 10 JDEE C#CCN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]2CCCO2)C1)[C@H]1CCS(=O)(=O)C1 1630831001 XJBXPRWMAIYLBH-XWSJACJDSA-N 454.589 1.830 30 10 JDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cc1 1633428783 GIXCGCYFHVMPGJ-QGZVFWFLSA-N 450.879 1.551 30 10 JDEE C=C(C)C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1650972156 KWGZNNYPWDSHLJ-NSHDSACASA-N 452.314 1.598 30 10 JDEE N#Cc1cc(F)c(S(=O)(=O)NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)c(F)c1 1664792498 GRYXDBJOXXGYHF-UHFFFAOYSA-N 455.508 1.545 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)n1 1676321555 LAKIVMCTYJNIHX-UHFFFAOYSA-N 452.559 1.777 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCn2cc(Br)ccc2=O)C1 1681433339 GCSCXSVOKWXJBU-GXTWGEPZSA-N 454.325 1.669 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1cn2ccc(C)cc2n1)[C@@H]1CCS(=O)(=O)C1 1689980520 TUWRTOGTXJMOFM-AZUAARDMSA-N 486.598 1.633 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1689997132 WLDPJDJSPITIBH-GCJKJVERSA-N 495.001 1.943 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cccc(N3CCOCC3)n2)CC1 1690152199 BSMOXVBKHHLHKO-UHFFFAOYSA-N 467.574 1.060 30 10 JDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690179366 WSGKVFMESQTMES-UHFFFAOYSA-N 468.674 1.908 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1690255072 NSTRFPBFWFDBFL-JLRUASKGSA-N 490.649 1.558 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CN(C)C1=O 1690604000 MNLPWBFDPQMPQS-WMZHIEFXSA-N 457.600 1.894 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1690663642 CKUSDBXGOIWUQT-ZDUSSCGKSA-N 455.968 1.779 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](NC(C)=O)C1 1690717301 BCSMKMGWSZRFSW-HNNXBMFYSA-N 485.408 1.741 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2ccco2)CC1 1696592177 FKGLOLSPZJIDMU-UHFFFAOYSA-N 476.541 1.050 30 10 JDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCCN1CCC[C@@H]1CO 1705548136 XGNXNDUFDHIBFR-LJQANCHMSA-N 473.647 1.853 30 10 JDEE C#CCN(c1nnc(CC)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705570732 QIMAADLLHJJWHP-DLBZAZTESA-N 453.609 1.970 30 10 JDEE C#CCN(c1nnc(COCC)n1CCc1cnc2c(Cl)cnn2c1)[C@@H]1CCS(=O)(=O)C1 1705571687 FWZZVRQMJVMXJM-MRXNPFEDSA-N 477.978 1.380 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NC 1705628569 KRRIBTGNRLADNE-KRWDZBQOSA-N 478.594 1.445 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CCCCC1 1705628783 OYQYGSJIOMFXBX-HXUWFJFHSA-N 479.647 1.301 30 10 JDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1705723300 JWNNLVNHOUSWIS-IEBWSBKVSA-N 465.562 1.864 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC(NC(C)=O)CC1 1705737036 INBBMKHLIKXMRU-VIQWUECVSA-N 453.609 1.656 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)N2CCCCC2)CC1 1705781527 BNISKDUPXLSHLW-LJQANCHMSA-N 480.635 1.416 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1705888140 GWTVSDAVAJSQMH-LJQANCHMSA-N 474.631 1.930 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(OC)c(O)c1 1705894556 CKZGNDWCPNCJPM-UHFFFAOYSA-N 451.487 1.578 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(CCOC)CC1 1705896186 DQKIOIIXMIXCGP-UHFFFAOYSA-N 469.409 1.840 30 10 JDEE C=CCNC(=O)Cn1c(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)nnc1[C@]1(OCC)CCOC1 1705908182 KJZKPRMILJESNS-XDHUDOTRSA-N 487.557 1.303 30 10 JDEE C=CCNC(=O)Cn1c(N2C[C@H]3CCC(=O)N[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705908535 ROSBVDLDVCJXQF-NCOADZHNSA-N 473.578 1.066 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1705932648 XKNXAMJWZWBYEG-HNNXBMFYSA-N 462.498 1.827 30 10 JDEE CC1(C)CN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CCO1 1706955712 GMHZBDFLSOAKEM-LJQANCHMSA-N 467.574 1.541 30 10 JDEE CNC(=O)C(C)(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1711289495 CGBALIFVDAGQPV-INIZCTEOSA-N 478.557 1.737 30 10 JDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1711397907 HCVGEMVRNKRXHC-INIZCTEOSA-N 456.514 1.330 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccco1)N1CCCCC1 1722294087 GAGHATLJKBHWIR-ZVDOUQERSA-N 490.630 1.889 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC2([S@](C)=O)CCC2)c1 1722306831 FYMUBRBJIBNOBA-UMSFTDKQSA-N 482.610 1.758 30 10 JDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)[C@H]1CC 1722310754 OFJROZDMMJBKJP-LJQANCHMSA-N 458.588 1.714 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1722362740 VZMKBEMFFGZZFP-FQEVSTJZSA-N 456.572 1.225 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC(=O)NC2CC2)CC1 1722433209 PMAPUUOTPKGALT-UHFFFAOYSA-N 460.380 1.850 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2conc2COC)CC1 1722433366 SREHYUWBSRAGIY-UHFFFAOYSA-N 474.363 1.984 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCO[C@H]2CCOC2)CC1 1722440587 KHNVZYCEZFGNEL-SFHVURJKSA-N 458.588 1.220 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3nsnc3c2)CC1 1722441224 OBCUPXXUUHOOAT-UHFFFAOYSA-N 466.571 1.435 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)NCC(F)(F)F)CC1 1722441240 IVOAAENXTBWBIP-NVXWUHKLSA-N 456.513 1.630 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCC(=O)N2CCOCC2)CC1 1722449891 SSYDQVMTMCNACY-UHFFFAOYSA-N 494.596 1.380 30 10 JDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1722454357 CEUVXJBMXUHMSX-FQEVSTJZSA-N 457.648 1.871 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCOC[C@@H]1C 1722468861 VWNZXCWKNGRGPP-YADARESESA-N 486.642 1.908 30 10 JDEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722486855 FPJVRLPSGLSZNC-UHFFFAOYSA-N 474.407 1.917 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722688622 HPCBXMAOYZVORA-ZDUSSCGKSA-N 464.368 1.405 30 10 JDEE CC(C)(C)CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1722962124 BDQQYRUOOQJTTQ-DEOSSOPVSA-N 486.642 1.925 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCN(CC)CC1 1740546909 LOIFBYKDUUVKJX-IBGZPJMESA-N 462.602 1.678 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)Cc1ccccc1 1740548363 ALRBIIUVBZHMGG-QKNQBKEWSA-N 474.631 1.589 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCCN1C1CC1)[C@@H]1CCS(=O)(=O)C1 1740616222 WHQAOSCTELUTTI-LEWJYISDSA-N 490.674 1.840 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)N1CCOCC1 1740680641 JWIOZASWUXMGQO-UHFFFAOYSA-N 475.615 1.545 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1740685242 CQDUGEXPMYWDDG-INDMIFKZSA-N 451.593 1.133 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)c(F)c1F 1740686410 SNKBTOFHEPYAMG-HNNXBMFYSA-N 456.490 1.926 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1740705175 CGRBMHOBZVQNRK-SFHVURJKSA-N 488.589 1.042 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1740899344 LPQFDYUEEWSWPU-MJGOQNOKSA-N 459.572 1.968 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1740947411 ZTFWXMVYXQVXTO-HZPDHXFCSA-N 452.606 1.946 30 10 JDEE 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C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](O)CC2(CCCC2)C1 1760300743 KYKWRRVNPUOFAM-UONOGXRCSA-N 462.414 1.928 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCS(=O)(=O)C1 1760484103 NAVXJRYBULNMCQ-CABCVRRESA-N 473.646 1.577 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(C)(=O)=O 1760505452 UQVVWPKURJJZEZ-MRXNPFEDSA-N 473.596 1.270 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1760515604 PHAGEKBVBFTNIV-CRAIPNDOSA-N 492.422 1.505 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(F)(F)F)CC1 1760518359 ROIHZGJQZZOWEA-UHFFFAOYSA-N 468.480 1.949 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1760549040 VIHNXTOMADKLEF-IEBWSBKVSA-N 461.588 1.984 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@@](C)(C(=O)NC)C1 1760558577 SWBNMBYOZGJXMZ-OAQYLSRUSA-N 465.551 1.559 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1760558586 UCCCEAMWPUFFBD-GOSISDBHSA-N 466.652 1.309 30 10 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C=CCC1(NC(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CN(C(=O)OC(C)(C)C)C1 2076778281 KQRGCYCMKSGWIU-OYHNWAKOSA-N 455.552 1.401 30 10 JDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)CCS(=O)(=O)C1 2124543273 PKFQPQMPHCCLRI-ZMOMAAQPSA-N 470.397 1.619 30 10 JDEE CN(C(=O)OCc1ccccc1)C1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2247844274 ZQMXEOUNVPZYEN-UHFFFAOYSA-N 454.336 1.812 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2255630485 LAUKSADLNWSGEB-OLZOCXBDSA-N 453.370 1.542 30 10 JDEE COC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256622242 FCBBXSQTTUAVBO-HXUWFJFHSA-N 455.386 1.988 30 10 JDEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2259112374 MJNKQBSTTHBSOZ-UHFFFAOYSA-N 453.370 1.496 30 10 JDEE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267488648 IJBXBEPKGBXEFH-OAQYLSRUSA-N 450.297 1.773 30 10 JDEE Cn1cc(C(=O)NCC2(F)CC(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267500116 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C/C=C\C[C@H](C)[C@H](O)[C@H](C(=O)N[C@H](C)C=O)N(C)C(=O)[C@H](NC(=O)[C@H](CC(C)C)NC)C(C)C 1083142270 XCKLRIIJXNQBFT-WSZAFJAFSA-N 482.666 1.255 30 10 JDEE O=C(CCSc1n[nH]c(NN=Cc2cccc(O)c2)n1)Nc1ccc2c(c1)C(=O)NC2=O 1084156181 WVSPWCCHKQQGLO-UHFFFAOYSA-N 451.468 1.961 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)CC1CC1 1286426520 XXDQZPDZQZYFIS-UHFFFAOYSA-N 464.551 1.882 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1286489670 BQCMCDPXXFWRKC-LJQANCHMSA-N 452.607 1.765 30 10 JDEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](C(N)=O)C1 1286606055 FKBSCWUYPHJEDF-MRXNPFEDSA-N 461.592 1.533 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1286776328 SOCWPWWWPDSWQN-VQTJNVASSA-N 461.588 1.635 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1286785220 HSORKNXEQLWEHA-UHFFFAOYSA-N 475.456 1.947 30 10 JDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCCN(S(C)(=O)=O)CC1 1286791002 RNAVFUDQETYYEE-UHFFFAOYSA-N 471.587 1.055 30 10 JDEE CCN1CCN(C[C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOCC2)CC1 1296191813 BSNQLMFBQXLONS-FQEVSTJZSA-N 453.591 1.839 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1300498952 OIUOGDXZIKCENS-IBGZPJMESA-N 456.547 1.611 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NC1CCCCC1 1300569477 MJUMYIJKVFGCKR-UHFFFAOYSA-N 457.542 1.833 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCSC1 1300648590 GDGLSOCSWSTVNV-LAUBAEHRSA-N 464.588 1.827 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2CCC(=O)N2)CC1 1300718653 CVWAMJKXJRJHNN-HXUWFJFHSA-N 494.596 1.985 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1300719155 QATMYIWPOKDROF-RBBKRZOGSA-N 467.570 1.971 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc([C@@H](C)O)cc2)CC1 1300729078 MIMNLWSVYNFRCS-GOSISDBHSA-N 464.570 1.468 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1300848264 BYHMLLASFQRORB-STQMWFEESA-N 467.411 1.102 30 10 JDEE C=C(C)COCCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@]1(OCC)CCOC1 1301002407 YZGYAEODSWDCBE-YKSBVNFPSA-N 476.622 1.266 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCN2CCN(CC)CC2)CC1 1301086025 DTPLZWOXKOVGKM-OAQYLSRUSA-N 495.694 1.185 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1301480622 BOOQPSRJYWOXHY-CHWSQXEVSA-N 489.023 1.483 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCO[C@@H](C)C1 1301485528 XDRZCYUDHOIBKH-INIZCTEOSA-N 462.576 1.113 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1301500930 RGXBETFNHCWRGF-GOSISDBHSA-N 452.559 1.498 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(C)C)C1 1301585287 KXVLWRFRBMTUNO-LJQANCHMSA-N 486.598 1.654 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCc2nn(C)c(=O)cc2C1 1301585856 CLTZMFQMGDSYMP-UHFFFAOYSA-N 468.583 1.435 30 10 JDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)CC1=O 1301889849 FJWYHJWJVHJOLM-UHFFFAOYSA-N 472.571 1.079 30 10 JDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1313993404 GOOGPRVOLXGIJF-LJQANCHMSA-N 471.587 1.636 30 10 JDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCCC2=O)CC1 1315743367 HRHACWJSPPMLLP-UHFFFAOYSA-N 479.585 1.904 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1358880982 WTQNIAGWFUCCLY-AOMKIAJQSA-N 462.572 1.748 30 10 JDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1358903802 KJSWDHYSQOJCNB-UHFFFAOYSA-N 469.634 1.842 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1358961742 DNYBRXKHECSQFV-LEWJYISDSA-N 490.674 1.505 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1358967884 VAWLESDWRFLJOP-IBGZPJMESA-N 497.577 1.944 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cc2c(cc1OC(F)F)OCO2 1359018245 JHIIVRBZOSOGNW-UHFFFAOYSA-N 477.468 1.979 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1359056062 WTDLTRSYMYDBLY-BBWFWOEESA-N 460.604 1.899 30 10 JDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(S(C)(=O)=O)CC1 1359131041 GMXJBRBBRHELEN-UHFFFAOYSA-N 486.598 1.798 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1359293429 PRBCZUDMXSLLHX-UHFFFAOYSA-N 483.598 1.622 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1359296377 HMLZWLMBYPLDLW-UHFFFAOYSA-N 453.591 1.628 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1359306599 LLUWEUPNDKBLGA-ZWKOTPCHSA-N 466.608 1.263 30 10 JDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(CS(C)(=O)=O)CC1 1468368340 ADSSKCLROHTWOR-QGZVFWFLSA-N 455.602 1.567 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](C#N)C1 1503280605 ACBLTEJQIZIITM-INIZCTEOSA-N 457.516 1.268 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc2[nH]ccc12 1507538244 LDDZZOWAMLBANS-UZLBHIALSA-N 456.572 1.793 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1507622057 ATWPRKOXCXODFV-UZLBHIALSA-N 465.601 1.012 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507630869 JDGFDFRTWTVXEC-HZPDHXFCSA-N 475.575 1.275 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cccc(CO)c2)CC1 1507729621 IZJANJUHMYEFOI-QFIPXVFZSA-N 496.612 1.882 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1507737477 ACLDNBRBDOVQNU-FQEVSTJZSA-N 452.607 1.765 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507801683 XCVWRYWZFTYYLP-LNLFQRSKSA-N 463.608 1.425 30 10 JDEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1507825219 RYOLWEQWHHDSSJ-UHFFFAOYSA-N 470.574 1.948 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2O[C@H](C)C1 1507844434 JUINECUXIBTZSZ-NQIIRXRSSA-N 491.614 1.991 30 10 JDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507925605 IPVGAUMWKRCXLG-GDBMZVCRSA-N 467.596 1.011 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1508048180 PHCHBKRRLCVMNJ-UHFFFAOYSA-N 458.588 1.279 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1508085278 GMFGMYZBWSZQQC-JOCHJYFZSA-N 451.619 1.696 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 1508097113 MTAHYUJWVXQWAE-JOCHJYFZSA-N 495.628 1.772 30 10 JDEE CN(C)CCn1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1=O 1521369374 BABZETWDPBQEHV-UHFFFAOYSA-N 457.556 1.321 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1539201724 CIFGASDKUUBEPD-NSHGMRRFSA-N 484.582 1.533 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1539224410 GLLQECWNEGCXRA-QGZVFWFLSA-N 451.618 1.812 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCNC(=O)c2cccs2)CC1 1539430170 HAWBIJJSYCULHW-HSZRJFAPSA-N 472.615 1.565 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1539620761 NLLIXDIAIUUGOG-MDKPJZGXSA-N 473.599 1.997 30 10 JDEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539779853 HMFJWYLGFMSMEY-UHFFFAOYSA-N 482.770 1.715 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1540864505 BTTCQIBFITXNIZ-KRWDZBQOSA-N 488.614 1.344 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1540897442 JEDDQVABKDZBPC-UHFFFAOYSA-N 493.659 1.202 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1540908162 QWQFESLCFZYAKO-MAUKXSAKSA-N 483.616 1.575 30 10 JDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCSCC1 1555810205 AMPVERQQKXMEOM-QGZVFWFLSA-N 462.601 1.706 30 10 JDEE C=CCN1CC[C@H](N(C)C(=O)c2c[nH]c3ccc(I)cc3c2=O)C1=O 1556383627 WSTUOCLUAAYZJE-HNNXBMFYSA-N 451.264 1.992 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)NC2CC2)s1 1557145047 ICPCTKXEOSSRLH-IBGZPJMESA-N 459.593 1.987 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(I)cc2Cl)CC1 1584999923 FNZHNYIHFNXIMI-UHFFFAOYSA-N 459.715 1.842 30 10 JDEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCOCCCO)[C@H]1CCS(=O)(=O)C1 1588045363 JJKRMTANFABVLK-IBGZPJMESA-N 469.567 1.519 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588055263 UMSJMQJAJQGIQY-AQNXPRMDSA-N 463.648 1.919 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1588064299 FVQNDJRVUYFWDB-FQEVSTJZSA-N 471.608 1.801 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)C(C)C 1588099607 SBQZSOXGFIDKGK-UHFFFAOYSA-N 456.572 1.040 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 1588647557 WXGPHEFBRNXYNK-OALUTQOASA-N 463.579 1.894 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1588865079 PMJJRFIYPKBWEL-QFIPXVFZSA-N 463.586 1.331 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCO2)CC1 1588961509 BHQRMEHWIWVSNV-QGZVFWFLSA-N 456.572 1.414 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCS(=O)(=O)N(C)C 1589198010 NYUXPBQBGTUCBR-XMMPIXPASA-N 497.625 1.949 30 10 JDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1593660142 GHKZZTKJZKUMJG-UHFFFAOYSA-N 456.522 1.843 30 10 JDEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@H]2C1 1593747369 VHNFXLQYTWQXQY-ZWKOTPCHSA-N 491.593 1.393 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCNC(=O)C2CCC2)CC1 1594241148 HJWLFMRNKUHELQ-LJQANCHMSA-N 480.635 1.320 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1595490287 OPMLPNOTMQMRNO-KRWDZBQOSA-N 469.571 1.651 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1595529825 JCZFMGMTVXLLNS-SJORKVTESA-N 474.635 1.459 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1595602047 DNYNBEMNYYMYKG-LJQANCHMSA-N 456.522 1.923 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](Oc3ncccc3F)C2)nnc1[C@]1(OCC)CCOC1 1595602212 GULXOCCEPDXSAW-HXOBKFHXSA-N 474.537 1.814 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C(=O)OC)CC2)cc1 1595608726 XBHDKDMXLBZBFK-INIZCTEOSA-N 477.587 1.891 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1595777455 MZJGDNDLDVFMON-MOPGFXCFSA-N 454.556 1.665 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](OC)C1 1595789629 YOELIBXUJGKWBL-INIZCTEOSA-N 472.571 1.408 30 10 JDEE CC(C)(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1597428253 IABRDIUZJABAGM-KRWDZBQOSA-N 453.547 1.735 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCN(C)CC(F)(F)F 1611684027 DWKZSIJXYPDECS-AWEZNQCLSA-N 465.546 1.903 30 10 JDEE C[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1613001140 DUMQTQQDVABFKJ-AEFFLSMTSA-N 462.576 1.387 30 10 JDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N(C)C)C1 1619883775 GGKOQUHNYBFPHN-GHTZIAJQSA-N 489.646 1.644 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCc3cc(C(=O)OC)ccc3NC2=O)c1 1645515197 ZSAAZBCVCRIVKN-HXUWFJFHSA-N 454.504 1.954 30 10 JDEE C=C[C@@H]1OCC[C@H]1NCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1645693374 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C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1690054446 XTTBNMBUONTNJX-UHFFFAOYSA-N 456.568 1.568 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2CC(OC(C)(C)C)C2)CC1 1690124316 IVQSGNDSWHYWRH-GPJFCIFZSA-N 463.648 1.919 30 10 JDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1690177572 ZLFMEXGPSBHYHC-OAQYLSRUSA-N 482.654 1.987 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ncc(Cl)n1C 1690464680 IKDIGKCEEGUUFE-HNNXBMFYSA-N 472.015 1.991 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1690720582 MZKQQDHNHJTZPF-UHFFFAOYSA-N 460.604 1.065 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1690729809 SHLJNIPHFLOWKJ-FQEVSTJZSA-N 467.979 1.813 30 10 JDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1690742572 UVVNHSUXKHSZHE-UHFFFAOYSA-N 483.598 1.406 30 10 JDEE CC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CC1 1690797542 HHSQYTFDGXGQOI-FQEVSTJZSA-N 456.572 1.699 30 10 JDEE 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30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)c2ccc(OC)c(OC)c2)CC1 1722436868 MNAYZKSDJVNLAF-IBGZPJMESA-N 466.586 1.979 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1722554658 GHDASLUYQVIIGL-NVXWUHKLSA-N 492.067 1.764 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cccc(F)c2[C@@H]1C 1722692088 WMIDPCWOJUCXMX-KGLIPLIRSA-N 450.540 1.453 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1722696768 AYHJSDDISXBSIT-MRXNPFEDSA-N 451.487 1.108 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722731925 OBASDONEOMFMQB-HXUWFJFHSA-N 491.552 1.880 30 10 JDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1723645810 GLZKJMGKXGFMJE-HSZRJFAPSA-N 494.644 1.573 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(S(C)(=O)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1740624710 LBYXGUYGQFEPPO-KRWDZBQOSA-N 482.653 1.524 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1740628881 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C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1740993690 CGQVHOHIIZBRRA-LJQANCHMSA-N 473.599 1.484 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1748808565 LFZYVPYHADXTLP-IBGZPJMESA-N 495.609 1.877 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCNC(=O)c1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1748811061 ASJVDCSNJUZWPK-IBGZPJMESA-N 496.593 1.349 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(=O)Nc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1748818237 XWBQBKXBDLLVBM-YJBOKZPZSA-N 461.519 1.187 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cc(Cl)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1748821342 POPDZBYJDZXJKA-GOSISDBHSA-N 492.001 1.738 30 10 JDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1748829634 FPQQAZWTEQJIEX-NQIIRXRSSA-N 469.508 1.655 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(CN2CCOCC2)CCCCC1 1748863902 KIHRWJATLJKEJM-OAQYLSRUSA-N 490.674 1.634 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CCC 1748892231 LQVSBIQRDJUPKB-LEWJYISDSA-N 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C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC1 1690572280 YBBOJVQGWKOJCO-FXAWDEMLSA-N 479.578 1.979 30 10 JDEE C=CCOc1ccc(Cn2c(Nc3cnn(C)c3)nnc2[C@@H]2CN(S(C)(=O)=O)CCO2)cc1 1690681317 MWPWKHSIXPWFKW-IBGZPJMESA-N 473.559 1.701 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)c2c(C)noc2C)C1 1690699471 FSUACFXOFIKSHC-IPELMVKDSA-N 494.618 1.801 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2Cc2nnn(C)n2)c1 1705504868 FLOJHHOISKEJHY-UHFFFAOYSA-N 462.905 1.622 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705526084 AQWRJLHNLYJSQY-HXUWFJFHSA-N 498.653 1.895 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1CCc1nnc2n1CCCCC2)[C@H]1CCS(=O)(=O)C1 1705559644 DNHQMKVDECIUBX-MSOLQXFVSA-N 459.620 1.979 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccc(CN2CCCC2=O)cc1)[C@H]1CCS(=O)(=O)C1 1705568689 STXMBUXGNIFZMN-NRFANRHFSA-N 485.610 1.612 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1705570176 KWIZJBRYXQWMDO-UGKGYDQZSA-N 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Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1ccccc1Cl)n2C[C@@H](O)COc1ccccc1 33508187 LNIPXEJOZHTQEP-SWKNLOBNSA-N 468.901 1.963 30 10 JDEE C=CCn1c(=O)c2ccc(C(=O)NC(C)C)cc2n2c(=O)n(CC(=O)Nc3cccc(F)c3)nc12 64581534 WMSHUFXAAXXSCQ-UHFFFAOYSA-N 478.484 1.913 30 10 JDEE C[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 106753747 DPDOVKTVCIGDPX-OAHLLOKOSA-N 460.943 1.863 30 10 JDEE COc1ccc(OC[C@@H](O)Cn2c(N/N=C/c3cccc(O)c3)nc3c2c(=O)n(C)c(=O)n3C)cc1 107351156 XKEWRPGTROYQOX-BIXBROTJSA-N 494.508 1.034 30 10 JDEE C[C@@H]1CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C(=Nc2cccc(S(=O)(=O)N(C)C)c2)S1 254734062 AANHFGGLRXXWAX-CQSZACIVSA-N 493.611 1.753 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CCCN(c4ncccn4)C3)nnc12 550284373 RFZXYWYCEXTOHQ-MRXNPFEDSA-N 476.566 1.898 30 10 JDEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccc([N+](=O)[O-])cc3)n2)cc1 1084098460 XRGXTRUIWRXOKR-UHFFFAOYSA-N 476.500 1.537 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-n1cccn1 1286296045 MBYCAJNCRZYBBB-PXNSSMCTSA-N 469.571 1.303 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sccc1Br 1286297063 UPOJYGDUPBQSTC-OCCSQVGLSA-N 488.433 1.941 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(CC)C2CC2)c1 1286310708 GFTXRBDGGLTKNQ-IBGZPJMESA-N 484.626 1.721 30 10 JDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1286370029 YRSCUPCZNIWLEF-HXUWFJFHSA-N 476.585 1.204 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1286381251 FSTOLFQFWZUZNT-LEWJYISDSA-N 452.584 1.928 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCN(CCC)CC2)CC1 1286490926 XHJPRYQWSUOPLM-HXUWFJFHSA-N 455.607 1.317 30 10 JDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286714844 WYLVAPOMBZKNQL-UHFFFAOYSA-N 471.606 1.808 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCO[C@H]1C 1286740836 XSRLGKUDYNTBEM-GEQKSPFYSA-N 476.599 1.921 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CCCCC1 1286772430 DEOVLURSCVTFKB-HXUWFJFHSA-N 481.663 1.854 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1286787133 PADUJSGZLCPWTA-UHFFFAOYSA-N 453.595 1.032 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(N3CCCCC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1286793126 SMLOBHRGQOBSAI-HSZRJFAPSA-N 460.579 1.214 30 10 JDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1286815986 BVASFLRVOWCYIA-UHFFFAOYSA-N 451.524 1.054 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1286824063 UTZXQTLHJBMBCE-OAHLLOKOSA-N 467.979 1.778 30 10 JDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1297992686 HDJFMBLOFRALNQ-PMACEKPBSA-N 454.531 1.591 30 10 JDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(S(C)(=O)=O)CC1 1300358164 LGZGZNBGMNWBRX-UHFFFAOYSA-N 479.632 1.123 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1300484483 SOJXMRIKAZYNQD-DHIUTWEWSA-N 496.637 1.800 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2c(s1)C[C@H](C)CC2 1300631842 WXWDFWJTQXULEU-WBVHZDCISA-N 478.644 1.700 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(OC)CCOC1 1300663921 LBTWCDURKBZBGV-HSZRJFAPSA-N 452.515 1.084 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN(C)Cc2ccccc2)CC1 1300685981 VZTRGDPWKJPQFZ-RUZDIDTESA-N 452.603 1.817 30 10 JDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1300754843 WXANQQDZQWWNMJ-NRFANRHFSA-N 469.659 1.938 30 10 JDEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)N2CCOCC2)CC1 1301085865 CECNTRPCBYCDRC-SFHVURJKSA-N 476.578 1.602 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCN(C(C)(C)C)CC1 1301497355 UHBSHCZSXDQPEK-UHFFFAOYSA-N 488.662 1.851 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)c1ccccc1 1301500134 JOUFYQKBKPOMCO-HKUYNNGSSA-N 476.603 1.153 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1301585268 JYVKEXSBPBILNQ-FQEVSTJZSA-N 472.615 1.773 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1301663842 JHZRPFMWEJZPMT-VCGVYRDQSA-N 478.557 1.095 30 10 JDEE CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1)S(C)(=O)=O 1314700039 DZVZGKZLMYLJMG-IBGZPJMESA-N 460.560 1.092 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1CCCN1CCC[C@H]1C(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1358961745 DNYBRXKHECSQFV-SFTDATJTSA-N 490.674 1.505 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1358964181 VCGAYFGPOQMCMV-ZACQAIPSSA-N 475.537 1.293 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358967622 OIDMEXYVSQRNQF-QUCCMNQESA-N 485.610 1.707 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCC(C)CC1 1358978972 ZHJBKSJOLFEKNH-LVIWNVNYSA-N 463.604 1.279 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OCC 1358994928 ZKSLWLHPZQPQMC-QFIPXVFZSA-N 485.610 1.715 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2cnnn2C)CC1 1359032602 UTJOQNLUZMSKKL-UHFFFAOYSA-N 455.364 1.948 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCS(=O)(=O)c2ccccc2)CC1 1359038244 OSRUNHLCJUBIQE-UHFFFAOYSA-N 481.626 1.759 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1359048087 DWRYKWIGHULYLY-QZTJIDSGSA-N 455.588 1.449 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1359065547 TYBHMPINASGTTB-DPYWSORHSA-N 454.531 1.449 30 10 JDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1359165587 SBLQACAVNWZZBN-IBGZPJMESA-N 464.613 1.930 30 10 JDEE C=CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1359287749 TVRMWPYEQKRXSV-WCVJEAGWSA-N 453.565 1.095 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1359299939 QCHNGDXPDVGDRQ-DLBZAZTESA-N 489.374 1.872 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1359330831 DTLMQUQKRMSFDR-OAQYLSRUSA-N 470.599 1.730 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359332449 YEQMXMSRIHIHJD-IBGZPJMESA-N 481.619 1.196 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1cnn(C)c1 1359333202 QNLIJQMAMMCEQX-LJQANCHMSA-N 458.544 1.761 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@H](C)N(C)C 1360713101 FWEQMEXRWZBEKY-JTDSTZFVSA-N 461.592 1.288 30 10 JDEE COCC(=O)N1CCCc2ccc(NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)cc21 1456440256 DATKOJPPDUSQTN-HNNXBMFYSA-N 456.524 1.789 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(=O)N2CCCC2)n1CCC(C)(C)O 1494134829 AVKCRHQLKLOATN-MRXNPFEDSA-N 453.551 1.052 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1503266234 GJAQNBHQWGLYRL-LEWJYISDSA-N 488.614 1.903 30 10 JDEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CC1 1503767534 BZHHOGYSGKQOFQ-HSZRJFAPSA-N 454.531 1.497 30 10 JDEE CS(=O)(=O)CCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1505129709 CHKSHPYFJVIVSH-KRWDZBQOSA-N 462.551 1.554 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(OCC(F)(F)F)c1 1507617673 YEVIMCZXRGDQOL-HNNXBMFYSA-N 488.492 1.065 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1507633357 RUUPNLBTYULDBE-ROUUACIJSA-N 487.582 1.312 30 10 JDEE C#CCN(c1nnc(COCC)n1CCCN1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1507639519 YVNMOOQEGNLFCL-QFIPXVFZSA-N 471.627 1.890 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCCC2)cc1 1507652475 GOILGLVDSVJFLN-QFIPXVFZSA-N 451.596 1.897 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N1CCN(c2ccccc2)CC1 1507658746 NVOBEEVXANYEPL-UHFFFAOYSA-N 496.575 1.737 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)c(F)c1 1507672345 XSPNCOUPJSDRKC-OAQYLSRUSA-N 488.589 1.327 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nc(C(F)(F)F)cs1 1507711510 VWYRQDILXSQJDK-CYBMUJFWSA-N 477.534 1.984 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2(O)CCC[C@H]2C)CC1 1507718831 SXCADZKXVJGCDK-NTKDMRAZSA-N 486.642 1.502 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507809592 WBFAESYHNFRJIZ-QRQLOZEOSA-N 453.609 1.971 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1507958384 BPDWDFPXIDYWNP-QFIPXVFZSA-N 461.588 1.904 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1508082632 VOLWCKLNWXVFEL-UHFFFAOYSA-N 468.606 1.157 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1508095669 QFLYESOFEKCYMR-UHFFFAOYSA-N 478.553 1.930 30 10 JDEE CC(C)(C)OC(=O)N1CC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)C1 1508631029 DEOICCUKEFJAGD-YWZLYKJASA-N 468.555 1.489 30 10 JDEE COc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1CC(=O)N1CCOCC1 1518510047 BNDZADZGFWNGMI-UHFFFAOYSA-N 454.531 1.855 30 10 JDEE C=C(C)C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)C(=O)OCC 1537003758 LOQGXTYVFGWRRU-LJQANCHMSA-N 451.545 1.167 30 10 JDEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539059000 LYSUDYFTAWNKHX-UHFFFAOYSA-N 459.554 1.891 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(Cc2ccccc2)CC1 1539125506 NNRAFXZHIMZANC-JOCHJYFZSA-N 486.642 1.737 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1539203271 ORIPYWVTNIIZTG-WMZOPIPTSA-N 477.562 1.710 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1539212872 YJJGINFTKJFRID-CABCVRRESA-N 492.399 1.613 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 1539230433 HONWZOAEAODHFT-CVAIRZPRSA-N 480.537 1.955 30 10 JDEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1539230859 MCHBUYMBBFKNTD-QGZVFWFLSA-N 482.653 1.550 30 10 JDEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1539288297 CUUYIZZCEOFUGL-XMMPIXPASA-N 470.595 1.911 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1SC 1539415944 ILETXBMFPADOCI-GOSISDBHSA-N 497.618 1.606 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC(=O)NCC(F)(F)F)CC1 1539483364 YIVHSYRMTBEKEF-UHFFFAOYSA-N 492.502 1.522 30 10 JDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1539574120 HOYIAXZHAJVKQF-GFCCVEGCSA-N 455.338 1.457 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1539615130 GESBYFQWSTWWHO-BQJUDKOJSA-N 497.662 1.988 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1540863590 YYRZODKUZDTTGL-RDJZCZTQSA-N 464.567 1.399 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1540871229 HFFUCPGKESDPJD-KDOFPFPSSA-N 498.556 1.389 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1540872871 CZIJTOVZFUZZEZ-UHFFFAOYSA-N 462.514 1.801 30 10 JDEE CCCNC(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1547244910 ICAWRAOIJDZQIF-UHFFFAOYSA-N 476.589 1.649 30 10 JDEE C=CCN(C(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC)[C@@H]1CCS(=O)(=O)C1 1562645779 AIMGWWMHXAFDIN-MRXNPFEDSA-N 457.574 1.137 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C/C=C/c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588025002 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1689984080 KUVWFNGCIBQXJR-MRXNPFEDSA-N 496.611 1.024 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1690006568 SVOYCMMFJYMZRY-RDPSFJRHSA-N 483.594 1.606 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(CCOC)c2)CC1 1690132528 SBTIIGQMZDWRRR-UHFFFAOYSA-N 460.542 1.375 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1690219414 DFAFUKBBYCDPSP-WMLDXEAASA-N 477.429 1.098 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(COC)CC1 1690246145 RHCHUVMOYNXTJH-AQNXPRMDSA-N 481.619 1.375 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1690253436 QQOVKAKMIXHDSZ-XMSQKQJNSA-N 491.614 1.929 30 10 JDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1690290705 XBHWNVPZAUNWCE-UHFFFAOYSA-N 451.575 1.780 30 10 JDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1690481725 NQFSUBWLALNKLQ-BRWVUGGUSA-N 476.578 1.946 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1690632512 AJGRRIDHKAELHT-INIZCTEOSA-N 486.602 1.956 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC2(CCC2)C1 1690672321 OPXLPVJTAMNTNC-GOSISDBHSA-N 490.605 1.896 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1690729316 LUVBMRDRYQCCKB-HSZRJFAPSA-N 473.599 1.791 30 10 JDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CCN(C2CCC2)C1 1693830485 FKCVALGPAYNHQS-GOSISDBHSA-N 487.630 1.589 30 10 JDEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1nncn1C)S(C)(=O)=O 1695738285 FTTGTXWMQFFOCI-IBGZPJMESA-N 483.602 1.958 30 10 JDEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(N(C)C(C)=O)CC2)CC1=O 1698074651 DLNCOROMDLSIOY-FQEVSTJZSA-N 479.585 1.759 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCN2CCOCC2(C)C)c1 1705504574 AVGPQIHXEWVYIE-UHFFFAOYSA-N 476.585 1.846 30 10 JDEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705535457 NSFDFGBJRWIPOX-UHFFFAOYSA-N 464.570 1.098 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1nccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1705566045 LOFFETGQMCGKFA-OAHLLOKOSA-N 494.503 1.357 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1705570628 PEOWUFPSKONSNB-QRQCRPRQSA-N 477.537 1.252 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN1CCN(C(C)=O)CC1 1705573499 HXQWMKMSSIJUGT-LJQANCHMSA-N 452.534 1.794 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(I)cc1 1705582608 FJROHPIDCAEJAW-INIZCTEOSA-N 494.358 1.906 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn(CCCC)nc1C 1705612844 QCVJBCIJDRNVOK-LJQANCHMSA-N 463.608 1.424 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1705647469 GYRUQTVSCAJJFH-UTKZUKDTSA-N 480.569 1.671 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1705654017 VRNVYRYZCSHNDQ-RDJZCZTQSA-N 467.621 1.049 30 10 JDEE C=C(Br)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705684281 LBBGEEHLCHFALI-MRXNPFEDSA-N 459.348 1.563 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N1CCN(c2ccccc2)CC1 1705717065 BQTXFIGNZPKJGE-FQEVSTJZSA-N 486.642 1.931 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1705895970 YMFLGLUKFDOUSE-VLIAUNLRSA-N 479.379 1.733 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705899213 LHLOJRSHNVTCMQ-GOSISDBHSA-N 471.949 1.667 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@@]3(CCCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1705939041 QKLGKWZEVAUEJB-YUXAGFNASA-N 484.619 1.305 30 10 JDEE CNS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1711424791 ANZVWLDLEBDRGH-HXUWFJFHSA-N 484.586 1.139 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1722362882 CTSCPQYVIRXDCG-UZLBHIALSA-N 450.586 1.667 30 10 JDEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1722368208 ZTKJLQMCBLLYMW-HXUWFJFHSA-N 467.595 1.677 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CC(F)(F)CO2)CC1 1722444049 SXNVHGNGUCPQKV-LAUBAEHRSA-N 467.517 1.320 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2CC(=O)NC(C)C)CC1 1722444708 DSAKNONUZRPQFP-UHFFFAOYSA-N 459.554 1.984 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)NC(=O)OC(C)(C)C 1722467355 RPGMVRAPGNOZKG-QEEYODRMSA-N 454.597 1.794 30 10 JDEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722535463 BVRDJXBHSVRTTD-UHFFFAOYSA-N 495.584 1.896 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1722583667 SUMVSZJYIQZJDN-IAGOWNOFSA-N 477.553 1.846 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)OCC(C)C)CC1 1722697386 JPCYEZGINMJOGE-UHFFFAOYSA-N 494.556 1.811 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1722727395 KZHJLQSLPIURRQ-LJQANCHMSA-N 497.625 1.926 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1722728837 ZIDVOFZEZBLPFA-UHFFFAOYSA-N 492.609 1.920 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1723603804 HVJMZDGLMXYSAI-OAQYLSRUSA-N 499.641 1.435 30 10 JDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncccc2N(C)C)CC1=O 1730784511 BIURIKQBXSNXIG-UHFFFAOYSA-N 460.542 1.621 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740616240 WOAOEWQKSXYKOQ-CQSZACIVSA-N 461.510 1.729 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](N1CCOCC1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740624748 LLMOQZZXYIAHRO-SJORKVTESA-N 475.537 1.120 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCNC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1740625511 OHBLLCFXCMBHBU-SFHVURJKSA-N 485.541 1.658 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2COC)CC1 1740705559 IORZEYBNQBYKHD-NRFANRHFSA-N 485.610 1.341 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1740950990 OSILZFOPYOJXLI-UHFFFAOYSA-N 486.621 1.417 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1740958619 RTHLICNHLJDEDO-IBGZPJMESA-N 465.558 1.239 30 10 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C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1286817608 WKZQCQWMUZKPNK-MRXNPFEDSA-N 477.587 1.620 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286824085 TWDRZEIUBSDTMY-QUCCMNQESA-N 498.657 1.833 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1286824663 GIKNOKARMWPLAL-DYXWJJEUSA-N 481.663 1.914 30 10 JDEE C=CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCS(=O)(=O)CC1 1286835362 WADRCFWMMHRRQA-UHFFFAOYSA-N 490.699 1.797 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(O)CCO[C@H]1C 1292116545 CVFKEWPGZPSHLE-XDHUDOTRSA-N 482.589 1.330 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSCC(F)(F)F 1300308994 FVZTYDYNVQEMCN-OLZOCXBDSA-N 455.528 1.364 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1300412110 YBOFDUDTQPAGOQ-RTWAWAEBSA-N 473.599 1.992 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C(F)(F)F 1300465325 LORBDOVCGKSXKB-MRXNPFEDSA-N 457.478 1.748 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1300500910 FVLZDHUJYYOOTO-QUCCMNQESA-N 459.616 1.649 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1300504775 RUZUVLHIKLBILW-VGSWGCGISA-N 478.546 1.428 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC12CC(NC(=O)OC(C)(C)C)(C1)C2 1300602110 OAEYLLANLBRFTN-TVRCVXMWSA-N 466.608 1.795 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCOC2)CC1 1300712910 XXDUVFMJWHJGJR-SFHVURJKSA-N 484.988 1.864 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCC(=O)N2)CC1 1300717129 ZLCHYZBTPOOZIY-GOSISDBHSA-N 496.568 1.215 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1301475811 ZHPVKDLPVGUYQL-UHFFFAOYSA-N 471.537 1.291 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1301506625 NDNPROJGKWKLBZ-SFHVURJKSA-N 454.575 1.873 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@H]1CCCN1CCCO 1303414008 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1359343579 WKMHNEMAWOYXFY-KSZLIROESA-N 457.666 1.645 30 10 JDEE N#Cc1ccccc1N1CCN(C(=O)c2cc(S(N)(=O)=O)c(Br)s2)CC1 1464684510 GUKOVRQHHUFBIC-UHFFFAOYSA-N 455.359 1.992 30 10 JDEE C[C@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)CCCO1 1494522527 DVGYXHGTXYIAJZ-SFHVURJKSA-N 460.604 1.798 30 10 JDEE COCC[C@](C)(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1504750402 GBLXKEVXIUNUOM-UTKZUKDTSA-N 462.938 1.378 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)c1nccs1 1507589748 ZSQLIRKJTZPESR-JKSUJKDBSA-N 452.606 1.721 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507621475 AWINSLTUKHIJHG-YKSBVNFPSA-N 487.626 1.731 30 10 JDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507757280 XELMPRXOPKZGEC-UHFFFAOYSA-N 454.600 1.706 30 10 JDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CS(C)(=O)=O)c1)C1CC1 1507994295 ZBZJUIHXGSWVDN-GOSISDBHSA-N 464.613 1.928 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1508070797 DBARKPMLBWGCDR-GOSISDBHSA-N 487.992 1.659 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](C(=O)OC)C1 1508089299 JETJVJPZBUPNPT-SFHVURJKSA-N 468.562 1.144 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1508145687 OQXPEIATGBUAHR-OALUTQOASA-N 466.652 1.258 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1508145792 PWYCDJPEHSEZSO-OXQOHEQNSA-N 474.649 1.422 30 10 JDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCS(=O)(=O)C1 1509302227 HNQIWLWFLGYWFE-SJORKVTESA-N 457.622 1.381 30 10 JDEE CCCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N(C)CC)c2ccccc2c1=O 1514992246 GFKPRJYOVQRERR-MRXNPFEDSA-N 464.530 1.272 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1538970313 BVQAQOMMUKYEBE-LTIDMASMSA-N 468.624 1.992 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC[S@](=O)CC)c1 1539038021 KMBYROYNCVGMAB-UUWRZZSWSA-N 479.566 1.750 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1539220811 LYFVVZURRZGXTC-FCHUYYIVSA-N 498.653 1.744 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=O)N1CCOCC1 1539405773 LHGDNRDCZBUTFT-UHFFFAOYSA-N 492.374 1.661 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC2(CS(C)(=O)=O)CC2)CC1 1539453739 PTIYVGSSRLUTCR-UHFFFAOYSA-N 457.600 1.458 30 10 JDEE C#CCSCCn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1539531321 WCGNIIOUWDVPNL-RXVVDRJESA-N 451.593 1.026 30 10 JDEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1)c1ccccc1 1539766737 DOVKSUQRJOGCPL-HXUWFJFHSA-N 461.588 1.533 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1540858413 VXYXGAJPIYTPNB-SFHVURJKSA-N 462.532 1.874 30 10 JDEE C#CCN(CC(=O)NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1)C(=O)OC(C)(C)C 1544313310 WIUMXCYZNIJCKY-IBGZPJMESA-N 459.543 1.847 30 10 JDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1548314676 GTGDXBURSBNDMK-HDICACEKSA-N 460.604 1.797 30 10 JDEE N#Cc1cccc(-c2nnc(N3CC[C@@H](CN4CCOCC4)C3)n2CC(=O)NCC(F)(F)F)c1 1555986791 APEOPFICIOOPAI-KRWDZBQOSA-N 477.491 1.654 30 10 JDEE C#CCN1CCN(C(=O)CN(C)[C@@H](C(=O)OC)c2cc(OC)ccc2Br)CC1 1559854047 PODZVCKVJIBZAZ-LJQANCHMSA-N 452.349 1.381 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1587620516 GUFSXQGNZAXHOC-IBGZPJMESA-N 490.612 1.858 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1588041757 ZVNJXYYAGAMKFA-FZEVHQGJSA-N 476.624 1.882 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2cnc3c(Cl)cnn3c2)CC1 1588733012 JSUWAUHNGDOTGK-UHFFFAOYSA-N 484.008 1.891 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCS(=O)(=O)NC)CC1 1588761873 BLPDWAFITMDWAP-UHFFFAOYSA-N 485.383 1.151 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](CNC(C)=O)C1 1589481605 AXHMFUISVBCAJY-RLLQIKCJSA-N 462.595 1.519 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)COC)CC1 1589556158 AJUZCSXVRSRNFO-WMZHIEFXSA-N 454.575 1.977 30 10 JDEE C=CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1594573318 RIPMAPWPKXHRCL-UHFFFAOYSA-N 480.573 1.777 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)c2ccccc2)CC1 1595551767 USYKFAFPEALPIU-GOSISDBHSA-N 472.615 1.588 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)C(=O)C1 1595602306 JGEUYBAVMDBQRY-KRWDZBQOSA-N 473.578 1.463 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1611684081 GFEJWBRDXZXSJL-HOCLYGCPSA-N 477.557 1.903 30 10 JDEE C[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1613001144 DUMQTQQDVABFKJ-SJLPKXTDSA-N 462.576 1.387 30 10 JDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)CC1 1618660492 CFDNYKIERGWPKY-UHFFFAOYSA-N 451.575 1.890 30 10 JDEE Cc1cccc([C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)N2CCOCC2)c1 1629917578 DKZUBKZZAFZDDC-PGRDOPGGSA-N 456.568 1.723 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](Oc3ccnc(C(=O)NC)c3)C2)c1 1641890844 CBTGYSNJYBBIBM-LJQANCHMSA-N 455.536 1.922 30 10 JDEE C#CCOc1cccc(OS(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 1661413985 KEVSNGSNXPYZRJ-UHFFFAOYSA-N 451.522 1.796 30 10 JDEE CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cn1 1668971636 FGHQIOQIHAUNBN-KRWDZBQOSA-N 454.961 1.710 30 10 JDEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1680024397 FXKHZHZZYCSOQF-RTBURBONSA-N 457.531 1.989 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CCS(=O)(=O)CC1 1689833425 JWVWXHBOVYANTE-GFCCVEGCSA-N 456.366 1.433 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1689913153 ISSWUGGHJYXQSV-CVEARBPZSA-N 454.597 1.747 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1689984440 PIVXDFLDTAGISX-YESZJQIVSA-N 465.963 1.160 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1689993434 DKQNQEYZWJKLGM-LJQANCHMSA-N 456.572 1.570 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1690046923 IDSLPVGNAKTQFZ-GJPOJAMWSA-N 475.615 1.015 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)CC1 1690237174 WHDWKXNCXNJMDP-OTWHNJEPSA-N 454.641 1.648 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1690302913 OHMJCGXDFSXSPU-QGZVFWFLSA-N 460.560 1.155 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(Br)C1 1690346036 JDAOBJOAHZVFRX-ZDUSSCGKSA-N 466.789 1.852 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)c2ccccc2)CC1 1690364289 NBEARMWWNPHKQK-INIZCTEOSA-N 453.590 1.519 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@H]([C@@H]3CCCO3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690678387 UVPJXKNVUGGSAF-RDGPPVDQSA-N 490.605 1.735 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOc2ccccc21 1705613229 XOSCDCMMIRGXIC-FXAWDEMLSA-N 459.572 1.637 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCCC2(C)C)n1 1705630630 ARWGHZCNJBZUDH-VWLOTQADSA-N 483.617 1.938 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(F)c(F)c2)CC1 1705633382 PUTHZMAGEHKXLS-HNNXBMFYSA-N 452.531 1.164 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(=O)NCC(F)F)CC1 1705645616 YPHZJEMHDWUMDH-HNNXBMFYSA-N 492.502 1.904 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(COC(C)(C)C)on2)CC1 1705647478 HIPFUMDKGCYGMQ-IBGZPJMESA-N 483.573 1.546 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1705651712 GDLBNGJJHIKHNF-IRXDYDNUSA-N 451.622 1.601 30 10 JDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1705725821 TZYJICZDPCGBKB-OAHLLOKOSA-N 460.560 1.298 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1705731436 XUSYNQQCEFZHJO-JOCHJYFZSA-N 461.588 1.904 30 10 JDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)N1CCSCC1 1705838829 DFQGYYHMTGYECY-UHFFFAOYSA-N 451.574 1.675 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)COCCO1 1705868166 DKGOBCWKTCKWPX-NQIIRXRSSA-N 497.643 1.671 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1705904930 CXAMUJRDBUPWNU-IBGZPJMESA-N 480.617 1.135 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](Cc3noc(C)n3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705909239 RCTLDWFGTBDBGJ-FDDCHVKYSA-N 473.578 1.771 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CC(N)=O)CC1 1705931652 WRBKVJRNUCJKTH-UHFFFAOYSA-N 485.408 1.728 30 10 JDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)=O)CC1 1705942049 GHNJAPNGZDGKNM-UHFFFAOYSA-N 478.644 1.783 30 10 JDEE CCOc1ccnc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)N(C)C)CC2)n1 1710571072 CYVLGLFFGQKVEL-UHFFFAOYSA-N 475.557 1.810 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1711072435 CRJVRPZIZLVSTP-SFHVURJKSA-N 452.544 1.525 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1722365053 BTUNUERKZZZVRS-GUXCAODWSA-N 450.586 1.378 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCOc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1722367159 KTFUVMXKZMNJLI-KBXCAEBGSA-N 495.964 1.727 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1722367419 LMVDMORRTBNEFG-HZPDHXFCSA-N 479.509 1.506 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1722368105 YWROTWJNAQCIMA-LQWHRVPQSA-N 468.645 1.700 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1722370239 MHIMTOALEPPATL-MSOLQXFVSA-N 461.588 1.443 30 10 JDEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CCNS(C)(=O)=O 1722387381 UWVBEBBNQOFKIL-UHFFFAOYSA-N 466.361 1.242 30 10 JDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CN(Cc2ccccc2)CCO1 1722401141 MYYAJXYANBNFMT-HSZRJFAPSA-N 460.582 1.764 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)c2ccc(F)cc2)CC1 1722436494 AEQRFBYAUMAZSP-NQIIRXRSSA-N 490.605 1.309 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC(=O)NCC=C)CC1 1722449699 OIQMMLROLJLRGP-UHFFFAOYSA-N 450.543 1.434 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1722505926 KXHRCXUWFMIYQK-DENIHFKCSA-N 470.622 1.650 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)F 1722508346 LAAILPSHTQALTK-ZOBUZTSGSA-N 463.551 1.684 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CCC)C1 1722509220 OCCYOAOJVHRBON-FYQPLNBISA-N 483.635 1.598 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(CCOC)[C@@H](C)C2)cc1 1722705392 XWKCISZLLDDRAS-PZJWPPBQSA-N 489.642 1.950 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1722726527 CXPBNZWTZOIPGI-UHFFFAOYSA-N 455.544 1.332 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)CCO1 1722841055 BBGFBPUHLLDWNO-NRFANRHFSA-N 467.574 1.269 30 10 JDEE Cc1cnn(C[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCS(=O)(=O)NC(C)C)CCO2)c1 1724958669 FPWORUIZCQJRGL-NRFANRHFSA-N 498.613 1.555 30 10 JDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1730624515 FEAOQEHMDYBTOX-XXBNENTESA-N 453.547 1.645 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2cccc(OC)c2)CC1 1740550095 HPMLTIPEZZUBHR-XLIONFOSSA-N 473.599 1.809 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1740626913 NYPVOXWYRCFXTP-MSOLQXFVSA-N 472.633 1.014 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(NC(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1740628933 WOQIXIYQKBZYIM-QZTJIDSGSA-N 458.544 1.295 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCC(OC)CC1 1740640064 HZYBNATYFHADQF-SOAGJPPSSA-N 463.604 1.279 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCOC1=O 1740680520 FHPQIQBZRXKDGQ-UHFFFAOYSA-N 451.325 1.964 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(F)cc1)N(C)C 1740686267 QHUQBADERPQAFC-AZUAARDMSA-N 463.579 1.708 30 10 JDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740721164 YUGYTPSUSYEURW-MRXNPFEDSA-N 459.601 1.473 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740764795 YSBMKSCPFKECBZ-LMNJBCLMSA-N 460.604 1.956 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)Cc1ccc2c(c1)OCO2 1740782231 IGBRBLKLPNXOOF-HXUWFJFHSA-N 493.586 1.569 30 10 JDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1740802947 DDINAWREQKBPHU-ROUUACIJSA-N 455.003 1.888 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1740825117 JTRBBVPQVLNPJB-RTBURBONSA-N 466.652 1.888 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(N3CCOCC3)n2)CC1 1740833226 NSYUYGPFSZKVSA-QGZVFWFLSA-N 475.619 1.571 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1740887047 AJWUICPRVKSCEH-GHTZIAJQSA-N 491.614 1.991 30 10 JDEE C=CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCS(=O)(=O)N1CCSCC1 1740895018 PUEDPLMFIKXYAC-UHFFFAOYSA-N 467.617 1.963 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740957002 YANZXDLRJAHHIA-HNNXBMFYSA-N 459.938 1.465 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1740963033 XHYDNIPINSZRKE-LJQANCHMSA-N 450.547 1.844 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1740963231 DVPXCUOXBOPIGQ-UNMCSNQZSA-N 479.585 1.578 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](COC)C1 1740966437 YFAAIGILUCAMDZ-SJORKVTESA-N 464.567 1.504 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@](C)(OC)C1 1740990390 SUKKDOLCPXGGAI-QHCPKHFHSA-N 486.598 1.798 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1740991657 AYDVBCHSVZSZSR-FQEVSTJZSA-N 494.706 1.991 30 10 JDEE CCCN(CC)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1745615186 CPLPSDMFBKDQSG-LJQANCHMSA-N 480.621 1.509 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1747603198 GGFLYOJBZSOCGG-UHFFFAOYSA-N 497.629 1.154 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CCN(C)C2)c1 1748697760 MOAKDICCHRHZSA-JTJYXVOQSA-N 482.585 1.125 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748805798 WJVIGMYUSOOVRV-IAGOWNOFSA-N 477.562 1.662 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1748807845 CUYWRACZXPCGFU-IBGZPJMESA-N 454.556 1.358 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 1748811221 DFSVBPYGKPQKFL-GOSISDBHSA-N 458.494 1.883 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)cc1F)[C@H]1CCS(=O)(=O)C1 1748815135 NQZFGBFNKMPDER-YJBOKZPZSA-N 461.519 1.052 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(=O)Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1748818235 XWBQBKXBDLLVBM-MAUKXSAKSA-N 461.519 1.187 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1748819303 MNHKPLHBQOWWJS-QFIPXVFZSA-N 478.578 1.897 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@]2(O)CCOC2)CC1 1748977511 HXGCZSMBMAKRTD-CYFREDJKSA-N 455.559 1.723 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(O)CCN(C)C2)CC1 1749004380 HSGRUORJEFHMJT-BVZFJXPGSA-N 484.576 1.590 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1749020019 INXJBTVEDNEXKM-LJQANCHMSA-N 473.647 1.013 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNS(=O)(=O)c1ccccc1 1749067813 XTSIKVPKYQPTHR-DYESRHJHSA-N 477.612 1.151 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1749193838 RQTNMLQXUKMMOM-SFTDATJTSA-N 474.631 1.898 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)Cc1ccc(C#N)cc1 1749268675 FGMGBNFKKAUKTI-LJQANCHMSA-N 495.005 1.888 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1749731365 CDFCSYUAYWSTCS-UWJYYQICSA-N 454.593 1.547 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@H]2CCCO2)CC1 1749741288 WLBWTUYNDVZHKM-ZCNNSNEGSA-N 468.620 1.998 30 10 JDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1750194197 GKQNHPDLHPEMOS-OAHLLOKOSA-N 452.487 1.211 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1760154186 BEBFPUNZVHXYIE-RTBURBONSA-N 461.592 1.371 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1760180995 OBYZMWIPIBECGQ-KNQAVFIVSA-N 459.572 1.195 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1760182128 GVEBXJMJGQSCCS-HNNXBMFYSA-N 483.545 1.463 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1760187247 UKEFPNMXFBKGHR-QZTJIDSGSA-N 472.633 1.012 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccc(F)cc1 1760205978 OLNJZSXKLWWVQD-VQTJNVASSA-N 475.546 1.211 30 10 JDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1c1cc(NC)ncn1 1760221923 PNZXLTCOIKCPBC-LJQANCHMSA-N 461.574 1.364 30 10 JDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760284022 FTXSDFDQXQOJBM-GOSISDBHSA-N 480.598 1.776 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCSC1 1760481508 AWUDXOYKNVTSOU-JXFKEZNVSA-N 451.618 1.949 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760514987 IQBKZMHXUDKGMT-IBGZPJMESA-N 497.419 1.363 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1760518280 OLRMJVVIZKYYOF-KRWDZBQOSA-N 451.531 1.992 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1760521633 ZGOYGIMOBPZUMC-MRXNPFEDSA-N 478.557 1.637 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C 1760522514 VJZKAPHTJCWWNC-HOJAQTOUSA-N 488.614 1.296 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1760549750 LVZGPKRCBKREIF-KNQAVFIVSA-N 462.572 1.496 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2)C1 1760554368 BCSNTNLWFBMYPZ-OALUTQOASA-N 480.612 1.359 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1760556942 USEBCLQWVXLBRY-UHFFFAOYSA-N 498.584 1.853 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC([C@H]2CC2(F)F)CC1 1760557567 PMZUOCREHPIGKP-MRXNPFEDSA-N 457.547 1.873 30 10 JDEE CC(C)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1761183501 BKAMTYUKLAVETE-UHFFFAOYSA-N 498.613 1.845 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC[C@H]1CCCCO1 1761234241 IATWMFYUUFWTLB-LJQANCHMSA-N 452.563 1.969 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCn1cccn1 1761501305 FSFVGUQLDZLANP-XLIONFOSSA-N 484.586 1.625 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1766944060 FTBXLVGKIHLGRS-UHFFFAOYSA-N 486.577 1.512 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)CN(C)C)C1 1767251234 CFUHOWJNCFSFMY-IBGZPJMESA-N 459.620 1.923 30 10 JDEE CC(C)(C)OC(=O)N[C@H](C[C@H]1CCS(=O)(=O)C1)C(=O)ON1C(=O)c2ccccc2C1=O 1772792820 HBGLXUJMTRGBLL-IUODEOHRSA-N 452.485 1.459 30 10 JDEE N#Cc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NCCc3cnc[nH]3)cc2)c1 1858976949 DBSFCHLCLQFPFJ-UHFFFAOYSA-N 466.523 1.484 30 10 JDEE C/C(=C\C(=O)N[C@H](CO)C(=O)Nc1cccc(C#N)c1)c1cccc(S(=O)(=O)N(C)C)c1 1867078831 UVYHSYAHNHYUKN-XMUSRXTASA-N 456.524 1.328 30 10 JDEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CN(CCO)Cc2ccccc2)cc1=O 1870562491 IVPQOJKEQFURKB-UHFFFAOYSA-N 455.536 1.550 30 10 JDEE C=CCn1cc(OCC(=O)Nc2cc(Cl)ccc2OC)c(=O)cc1CN(CCO)CCO 1870703160 SWCKFSLKPUAJBE-UHFFFAOYSA-N 465.934 1.500 30 10 JDEE C=CCn1c(C(=O)N2C[C@H](C)O[C@H](C)C2)cc2c(N3CCN(c4ncccn4)CC3)ncnc21 1873562785 STMQJVLXTVWNRD-HDICACEKSA-N 462.558 1.983 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1)C1CS(=O)(=O)C1 1890784330 JZMDVMBKVADCFA-MRXNPFEDSA-N 470.397 1.714 30 10 JDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CC[C@@H](C#N)C2)CCN1C(=O)OC(C)(C)C 2006281676 PSUCBZQSZVILCR-HNNXBMFYSA-N 459.569 1.781 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@H]1CNC(=O)OC(C)(C)C 2255771070 XQSULQIDMSWVJY-ZDUSSCGKSA-N 456.374 1.007 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC[C@H]2CNC(=O)OC(C)(C)C)n1 2255931318 JDZRFWZOIWWAMN-ZDUSSCGKSA-N 456.374 1.007 30 10 JDEE Cn1ncc(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267009044 JHAPDQHPJPBSTH-KGLIPLIRSA-N 452.336 1.797 30 10 JDEE Cn1cc(C(=O)N[C@@H]2C[C@H](F)CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267184397 MJWQIEXGTLLAIL-UONOGXRCSA-N 452.336 1.797 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2267465360 VTSSOJFVQZPBBP-HUUCEWRRSA-N 488.437 1.696 30 10 JDEE Cn1ncc(C(=O)N2CCOC[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267514342 XYNMOVASASUWPU-AWEZNQCLSA-N 450.345 1.085 30 10 JDEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@H](C)N1C(=O)OCc1ccccc1 2267595633 GAKZGIQGOZUAFQ-IRXDYDNUSA-N 483.378 1.986 30 10 JDEE CN(CCOCCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267615044 WYZFAXFEHNWWRJ-UHFFFAOYSA-N 450.345 1.389 30 10 JDEE CC(C)(C)OC(=O)NC1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CC(CO)C1 2268720043 ORDJMUJISWQGMO-UHFFFAOYSA-N 467.397 1.724 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1C[C@@]2(NC(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2281810077 LEIHAGARMMEZHJ-QQMNAOGKSA-N 459.352 1.935 30 10 JDEE Cc1nn(C)c(C(=O)N[C@H]2COCC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281981355 HCTTYSCNGDJCBV-CABCVRRESA-N 464.372 1.440 30 10 JDEE COCC[C@@]1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN(C(=O)OC(C)(C)C)C1 2281987362 ZEAXHKURNVAWOO-QFIPXVFZSA-N 464.372 1.855 30 10 JDEE Cc1c(C(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281991500 AXRMLMFURBSHBY-RTBURBONSA-N 498.389 1.841 30 10 JDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)n1 2282050251 LEFWNDLXUJLMSI-IAGOWNOFSA-N 461.368 1.789 30 10 JDEE C[C@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)[C@H](C)CN1C(=O)OC(C)(C)C 2282318708 JPVHCTVBDPEJAN-UONOGXRCSA-N 485.416 1.133 30 10 JDEE COC1(CNS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2282348086 HEUMLJUVKSEFPB-UHFFFAOYSA-N 482.408 1.900 30 10 JDEE CON([C@@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282349587 AUMGZTPUCCGHKT-CQSZACIVSA-N 486.400 1.281 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCC2(CNC(=O)OC(C)(C)C)CCC2)n1 2282498467 DRFWUCBDJBGGPD-UHFFFAOYSA-N 484.428 1.693 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282699185 HOBFLSZIJNQPDT-GJZGRUSLSA-N 463.388 1.832 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2282854507 SIMIMCGWYQUXOX-RTBURBONSA-N 472.420 1.472 30 10 JDEE CCN(CC)C(=O)COc1ccc(C=CC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 2325709514 ZXAQWOYCBMKPBY-UHFFFAOYSA-N 473.551 1.480 30 10 JDEE Cn1ncc(C(=O)NC[C@H]2[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2359263602 ZLWLFSOTVBXOQM-ZOBUZTSGSA-N 460.384 1.952 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)N2CC[C@H]1C2 2368743427 WBPDJTSARVIMQO-GJZGRUSLSA-N 461.372 1.132 30 10 JDEE Cn1c(=O)n(CC(=O)N2CCCCCC2)c(=O)c2cc(S(=O)(=O)Nc3cccc(C#N)c3)ccc21 13357765 ZSMOXJHBJAWFRI-UHFFFAOYSA-N 495.561 1.775 30 10 JDEE COc1ccc(OC)c(NC(=O)CSc2nnc(N/N=C/c3cnn(C(C)C)c3)n2N)c1 20827791 CDAOZDNSDRKRBX-ODCIPOBUSA-N 459.536 1.963 30 10 JDEE Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1ccccc1Cl)n2C[C@H](O)COc1ccccc1 33508191 LNIPXEJOZHTQEP-OWLNGIFZSA-N 468.901 1.963 30 10 JDEE CCN(CC)C(=O)CN1C(=O)/C(=N\NS(=O)(=O)c2ccc(NC(C)=O)cc2)c2ccccc21 59161200 HDHYAGDAANDFGF-FLFQWRMESA-N 471.539 1.543 30 10 JDEE C=CCn1nc(C)c(/C=N/Nc2nc(SCC(=O)N3CCN(Cc4nnc(C)o4)CC3)n[nH]2)c1C 59831481 NCDIPZJYINIGRX-SSDVNMTOSA-N 499.605 1.378 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1C[C@@H]1CCCO1 514835889 VLABPSQVYQUXDI-HNNXBMFYSA-N 474.380 1.657 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)CC1 517753262 HHCXHYFKJZGETG-UHFFFAOYSA-N 454.600 1.742 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c(=O)n1-c1cnn(CC)c1 726180247 CXMUKKBWHRMIBF-UHFFFAOYSA-N 484.925 1.482 30 10 JDEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)cc1 1084613466 IAFMREIBQQVZON-UHFFFAOYSA-N 490.571 1.173 30 10 JDEE N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@@H](S(=O)(=O)N4CCOCC4)C3)o2)cc1 1127972824 AZKMEYIMQZHQDG-HXUWFJFHSA-N 459.524 1.997 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)c2cccc(S(=O)(=O)NC)c2)s1 1143600523 OJCQXMMPDBPUPU-CYBMUJFWSA-N 457.599 1.540 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCn2ccnc21)[C@H]1CCS(=O)(=O)C1 1286382553 SKTFIHCTMJTGEK-HKUYNNGSSA-N 487.630 1.597 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1286388254 ZKERQWDYNJZXLI-RTWAWAEBSA-N 471.627 1.727 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccc(F)cc1C)[C@@H]1CCS(=O)(=O)C1 1286392879 CVKGALBYMPCVNL-HXUWFJFHSA-N 473.574 1.717 30 10 JDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1286400304 BRKKVOYTENUDKO-DEOSSOPVSA-N 470.595 1.984 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCOC[C@H]2OC)CC1 1286473967 WQJDXCKZSIJJRJ-XMSQKQJNSA-N 485.585 1.778 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CC2(C(N)=O)CCOCC2)CC1 1286474510 GSJOASBMNPBTDD-UHFFFAOYSA-N 493.431 1.806 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1286776321 SCLXFJDSCBTVTM-IEBWSBKVSA-N 474.587 1.286 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCNS(C)(=O)=O 1286780301 SRJIMRAKCSYNJE-UHFFFAOYSA-N 489.371 1.134 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)C(=O)NCC3)C1 1286799952 CNFYJSMZKXYWND-MAUKXSAKSA-N 474.587 1.004 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)NC)CC1 1286818031 SAFJELVEULHCJC-INIZCTEOSA-N 480.566 1.619 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1286823976 RZOVUKGKOAOODP-UHFFFAOYSA-N 486.598 1.163 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cnn(C)c2)CC1 1286832105 OROOLPFDQGBYTB-LJQANCHMSA-N 495.675 1.648 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)c1 1291749200 PVCSSDVOJGCMMG-OAQYLSRUSA-N 459.506 1.615 30 10 JDEE CCCNC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1294856463 GVFHVIFCOPKDLP-OAQYLSRUSA-N 451.575 1.892 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1c2ccccc2C[C@@H]1C 1300312128 XOAJPKOMTKAAIS-BBTUJRGHSA-N 472.615 1.520 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCC2(O)CCOCC2)c1 1300332281 BEJYJFHEILDILD-LJQANCHMSA-N 466.542 1.217 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccc2c(c1)CCO2)[C@@H]1CCS(=O)(=O)C1 1300479432 OOCZLHOFOSSIKE-LJQANCHMSA-N 471.583 1.221 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1300499776 WXDCLZFJCIVPEB-HKUYNNGSSA-N 458.588 1.195 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@](C)(O)c2cccs2)CC1 1300719688 LUNASPWQZUUQDJ-QFIPXVFZSA-N 453.572 1.614 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1300756223 IZMKYPJZMYOZEB-HXUWFJFHSA-N 466.611 1.795 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1300990911 NRBQSMQHWWDPIY-QGZVFWFLSA-N 492.602 1.468 30 10 JDEE C=C(C)COCCn1c(COCC)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1300999840 HPWSMLQYYSDQMX-KZNAEPCWSA-N 499.634 1.534 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Oc2ccccn2)C1 1301222748 FBENRVTVGFZULY-ROUUACIJSA-N 462.576 1.630 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(OC2CCOCC2)c1 1301296153 FXFZQNGDKXLVBO-IBGZPJMESA-N 492.602 1.234 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](COC)C2)cc1 1301524732 DFELWLAZCFDNBZ-AZUAARDMSA-N 462.572 1.645 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNC(=O)OC(C)(C)C)C1 1301557477 PHQZVESGFOGOEL-IAGOWNOFSA-N 469.608 1.876 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1301577463 JYWONGXLCNUSCA-UHFFFAOYSA-N 481.644 1.715 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1301587080 LWSAQCIOCZUMDR-IBGZPJMESA-N 499.593 1.936 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(C)cccc2C1 1301588976 NBMFJNAYGLIVAV-GOSISDBHSA-N 464.613 1.652 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1301594849 KFMHQWJUTKEELN-KXBFYZLASA-N 459.638 1.582 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1301612232 KUDGGVKQCWVGAG-SJORKVTESA-N 455.650 1.985 30 10 JDEE CC[C@H](C)[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1305332342 GDJQEPOGDBWRHY-UUOWRZLLSA-N 466.590 1.791 30 10 JDEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1314632700 AMZMKPRGYIXMAE-NHCUHLMSSA-N 468.558 1.981 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)cc2C1=O 1317908417 BSFRWSPVHKDCCN-UHFFFAOYSA-N 452.511 1.045 30 10 JDEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1358912254 MVVUJWWLFIUYOS-UXHICEINSA-N 465.620 1.954 30 10 JDEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)N1CCSCC1 1358950825 ZLGCBVSNARLPJQ-UHFFFAOYSA-N 455.556 1.595 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCS(=O)(=O)C1 1359024107 FIMNZFXDVDECCM-RTBURBONSA-N 495.646 1.913 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN(C)Cc2ccc(F)cc2)CC1 1359029305 UJFFPBNSPVEILY-UHFFFAOYSA-N 476.560 1.952 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SC)C1 1359057503 AQWRVCGLPNNLEC-IRXDYDNUSA-N 473.690 1.699 30 10 JDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1359059731 YBPIDEXYTKEKFV-INIZCTEOSA-N 456.601 1.829 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1359121805 JYMKGJJPCOALSL-LJQANCHMSA-N 480.635 1.416 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](CC(N)=O)C1 1359299873 OWBTUVWEJCZPQZ-QZTJIDSGSA-N 489.621 1.787 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1359302311 CDZMDWWRKZVHHB-MRXNPFEDSA-N 476.507 1.892 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[S@](=O)C(C)(C)C)CCO1 1359446438 ASLFQQSLDIKUDR-WHUARKNTSA-N 458.588 1.705 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 1444492011 XJAAFLQQYFSJMG-UHFFFAOYSA-N 458.496 1.657 30 10 JDEE COC(=O)CNC(=O)[C@H]1CCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 1473563090 ADXMFADDYOUPHL-LJQANCHMSA-N 455.490 1.797 30 10 JDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCN(CC)CC2)CC1 1502446893 FOMXENYKKJNWGG-UHFFFAOYSA-N 479.633 1.696 30 10 JDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507575267 DWQISEYORGZSJV-UHFFFAOYSA-N 480.569 1.647 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1507628807 QIRIRWLJKHSLJN-KRWDZBQOSA-N 466.585 1.015 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1507629460 UFGFROZEENEPHM-SJLPKXTDSA-N 476.555 1.004 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1507638516 GDMRWBQQIBTURX-IBGZPJMESA-N 471.583 1.907 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1507639510 KTLVXVVJGGFAOG-ROUUACIJSA-N 450.536 1.777 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)N(C)C 1507699811 LBDHZDDQCWECGR-UHFFFAOYSA-N 485.545 1.596 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccccn2)CC1 1516002176 BSSQAIWJCGWNIJ-UHFFFAOYSA-N 474.569 1.625 30 10 JDEE COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 1521253522 BEWZGMKKXVHRGD-UHFFFAOYSA-N 453.480 1.645 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2[nH]c(C)cc2c1 1539014253 LSSVRYOPUJQENG-OXJNMPFZSA-N 456.572 1.907 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1539203262 OQBPPMCULAPISZ-UXHICEINSA-N 499.641 1.673 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(F)c(COC)c1)[C@H]1CCS(=O)(=O)C1 1539216172 ONQNPLAXKHDEPZ-IBGZPJMESA-N 472.546 1.639 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1539230535 NRTRDFGMQOCUHU-KRWDZBQOSA-N 463.535 1.148 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC2(CC1)COC(=O)N2 1540898156 BGVNMGGRZPQLIN-UHFFFAOYSA-N 461.544 1.633 30 10 JDEE CCn1cc([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCS(=O)(=O)NC(C)C)CCO2)cn1 1547608852 BAQSYBZDEYLXJV-NRFANRHFSA-N 498.613 1.939 30 10 JDEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCCS2(=O)=O)cc1 1554974017 ATSKXGICLONUPH-HXUWFJFHSA-N 464.523 1.343 30 10 JDEE CCN(C[C@H]1COc2ccccc2O1)C(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 1559415666 CTUODJFCAAPFEH-FQEVSTJZSA-N 452.511 1.241 30 10 JDEE C#C[C@H](NC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)[C@@H]1CCCO1 1564117241 LKHAIQHLQGSAAI-ROUUACIJSA-N 451.545 1.337 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCOCC1 1587562931 VIOXSGDMFGARCZ-ROUUACIJSA-N 460.604 1.227 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C2OCCO2)c1 1587638999 IRHWOSLVRCTINI-LPHOPBHVSA-N 475.571 1.163 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCOCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588030070 OZKHXLFRZPSFPE-LJQANCHMSA-N 459.572 1.260 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588045590 NDADYLHKLLBHCW-RXVVDRJESA-N 468.583 1.164 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cc(C(C)(C)C)no1)[C@@H]1CCS(=O)(=O)C1 1588050688 ULZKYGOBRUTFNB-MRXNPFEDSA-N 457.560 1.639 30 10 JDEE C#CCN(c1nnc(CC)n1C[C@H](c1ccccc1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588058983 GZDYOQFMRSSZNH-NHCUHLMSSA-N 457.600 1.541 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1588068938 CJPHRCOGXPJALM-UYAOXDASSA-N 478.546 1.428 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1588069685 SKAPVBOWJWPXHB-OFNKIYASSA-N 458.584 1.496 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)Cc1cccc(F)c1 1588173477 BJYLDVHQOFKRSR-UHFFFAOYSA-N 473.512 1.886 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)N(C)C 1588233963 XELIXKAAMGUBOZ-YADHBBJMSA-N 484.626 1.377 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCS2)CC1 1588884995 QJHVBSKLVAEVBG-QGZVFWFLSA-N 453.572 1.787 30 10 JDEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1595296656 HXSXLZYUPFKPMF-LJQANCHMSA-N 489.646 1.916 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(CCOC)C(=O)C2)nnc1C1(c2ccccc2)CCC1 1595602939 VAFBXTZTHIBMOK-UHFFFAOYSA-N 452.559 1.345 30 10 JDEE Cc1cc(C)n(Cc2nnc(N3CCN(c4cccc(F)c4C#N)CC3)n2CC(=O)N(C)C)n1 1612501243 GPGNGDMEBRTCNY-UHFFFAOYSA-N 465.537 1.565 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1615937628 BGRSNCBCNDGTOT-OYRHEFFESA-N 494.644 1.574 30 10 JDEE COc1nc(N2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)ncc1Br 1634999394 CKZAQGDBUSBTRI-UHFFFAOYSA-N 459.304 1.198 30 10 JDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](OC(=O)N(C)C)C1 1641030838 AMIZWXPJUSZBIE-RDJZCZTQSA-N 450.561 1.829 30 10 JDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1sc(C(=O)OC)cc1Br 1659644549 FXZQBFPBEUTVHJ-VIFPVBQESA-N 456.361 1.108 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1689977938 HNFZBWBEPWZNLE-INIZCTEOSA-N 454.512 1.502 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C1CC(C(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1689980297 PIXLQOWPHXDSHZ-SOEBMCCKSA-N 471.649 1.512 30 10 JDEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1689987935 FWOGWYLGGOPXIS-KRWDZBQOSA-N 468.583 1.590 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@]1(N2CCOCC2)CCSC1)[C@H]1CCS(=O)(=O)C1 1689990591 QHJTZHXJYOXCMA-WMZHIEFXSA-N 495.715 1.701 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ccc(Cl)cn2)CC1 1690135004 ODMCDTZZUXSAGE-UHFFFAOYSA-N 485.976 1.607 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)NC(C)(C)C)CC1 1690154666 WDQBMEVFLAZNFV-ICSRJNTNSA-N 474.606 1.273 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1690239651 ZDKAQGCZXRQFHH-YSFYHYPLSA-N 490.649 1.726 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1690465196 UYAHBMCHAKYHCW-XMSQKQJNSA-N 483.635 1.742 30 10 JDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCCS1(=O)=O 1690514177 WRKFREZFJGVGKA-UHFFFAOYSA-N 452.968 1.519 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2CCN2CCN(C(C)=O)CC2)C1 1690707468 XATSCJOKFADBST-NRFANRHFSA-N 456.566 1.953 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2nc(CC)ns2)CC1 1690726878 OWDMEVHRCCXJMJ-UHFFFAOYSA-N 451.622 1.572 30 10 JDEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(=O)(=O)CC)CCS1 1694968301 GTWABDHNKWTFTC-GOSISDBHSA-N 464.617 2.000 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1705480900 YZIFOGVODBBUKZ-JTSKRJEESA-N 461.588 1.667 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2Cc2ccc(C(N)=O)nc2)c1 1705506528 AJDLRNLXKUCWEA-UHFFFAOYSA-N 480.532 1.862 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2[nH]c(C)c(C)c2c1 1705551973 UCGBQSBXRHCTNW-FQEVSTJZSA-N 456.572 1.827 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1705567919 CQMMJBJZSAFOMS-CTNGQTDRSA-N 469.567 1.925 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1705569241 FIZJCEUUWKMIJO-IBGZPJMESA-N 456.572 1.570 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1705619680 YSPQLGSJFUXZTH-HSZRJFAPSA-N 498.540 1.254 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccsc2)CC1 1705645166 MSVCVOZNCVQZPL-OAHLLOKOSA-N 464.617 1.158 30 10 JDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705684872 GAAUTFMAQMZBNO-CQSZACIVSA-N 468.381 1.648 30 10 JDEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1 1705737453 RDPDCZIHOHWHJZ-ZWKOTPCHSA-N 478.594 1.881 30 10 JDEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1)c1ccccc1 1705741162 HOWCJDXLDSWUIK-UHFFFAOYSA-N 492.588 1.245 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1705896477 OAJKORWCEVVMBG-HKUYNNGSSA-N 459.572 1.656 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccccc2F)C1 1705928121 LOUVDLZNHGYDKZ-IBGZPJMESA-N 477.562 1.832 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1705932569 GZZZJQWCDQLVRM-QAPCUYQASA-N 475.571 1.278 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(c2ncccn2)CC1 1705932656 ICBSFXKWHGBMIF-UHFFFAOYSA-N 453.572 1.971 30 10 JDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1709942791 FMZMALJSMYPUJV-PXNSSMCTSA-N 458.588 1.551 30 10 JDEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC1 1710342818 CKRMBUZBWSCHJV-UHFFFAOYSA-N 466.546 1.106 30 10 JDEE COC1(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1711616656 FZHFPCKRUAGQJE-QAPCUYQASA-N 456.544 1.012 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCOCC1 1722290568 MQQYYPXVDBVLAV-MOPGFXCFSA-N 462.595 1.767 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1722363684 UTFBBJNNJBSHIZ-OAHLLOKOSA-N 451.499 1.262 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1722370661 DGXCYVBWLQLHRY-HXUWFJFHSA-N 479.566 1.446 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCOCCS(C)(=O)=O 1722375262 MCXRZOCYDVIVDP-UHFFFAOYSA-N 483.363 1.981 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2OCC)CC1 1722446770 AZOWUHMMOASALQ-NRFANRHFSA-N 499.637 1.901 30 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C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(c2cnn(C)c2)CC1 1740964406 OKRPUHFUQGEMRP-UHFFFAOYSA-N 454.510 1.359 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](COCC)C1 1740992751 TYQNQIUHNLXVTB-IRXDYDNUSA-N 460.622 1.034 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1748751258 DMEVUZYVDPTMAS-PKOBYXMFSA-N 461.592 1.272 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1748803295 WWWLVAGQYWAAIM-GOSISDBHSA-N 468.514 1.740 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCS(=O)(=O)CC1CC1)[C@H]1CCS(=O)(=O)C1 1748809623 OWIOUXSMQKEOFY-KRWDZBQOSA-N 480.587 1.536 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748809729 PMYWGWQAGRTRDD-SIKLNZKXSA-N 482.610 1.412 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1748821338 PJKAVCKXOIQQMA-JOCHJYFZSA-N 479.606 1.745 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NCc1ccco1 1748965243 QNGLHHQJPJFJAW-HXUWFJFHSA-N 451.483 1.786 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749139940 JYSOFIIGSMQFHC-FXAWDEMLSA-N 455.563 1.616 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1749158748 LNXWESOZNWPQJI-RTBURBONSA-N 466.652 1.525 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC2CCOCC2)CC1 1749303471 KYAKJPIYDUOMAC-LJQANCHMSA-N 469.608 1.353 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(OC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1760185746 CLGMIPIUTOIOOU-MSOLQXFVSA-N 484.644 1.156 30 10 JDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1760190819 ZUOZWTCXUNZTHM-HXUWFJFHSA-N 481.582 1.282 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCS(=O)(=O)N2CCSCC2)CC1 1760256791 SRGPXEBWDPEXAU-UHFFFAOYSA-N 488.683 1.641 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCC2CC2)C1 1760280219 DUOJWXSJVCFQOY-RBUKOAKNSA-N 483.660 1.373 30 10 JDEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 1760451428 IWZOMYDCWQKDBC-UZUQRXQVSA-N 478.594 1.881 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1760534298 VFUYIRLGHOBAAM-INIZCTEOSA-N 464.567 1.491 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1COc2ccccc2O1 1760548384 FLHVOPPIXHEDKR-MRXNPFEDSA-N 463.560 1.293 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1760553198 OBBJZAUKUZERGS-IBGZPJMESA-N 486.598 1.740 30 10 JDEE N#Cc1ccc(NC(=O)[C@@H]2CCN(S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)C2)cc1 1858412518 HGMUFTQNPHTBJJ-MRXNPFEDSA-N 452.492 1.861 30 10 JDEE CCCCCCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1861500829 MXJDLXQQAGHPCR-RBUKOAKNSA-N 493.601 1.881 30 10 JDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Br)cc1 1865728383 FTKCOQQMXCTYAP-OAHLLOKOSA-N 487.354 1.742 30 10 JDEE C=CCn1c(C(=O)NCCOCCO)cc2c(N3CCN(c4ccccn4)CC3)ncnc21 1873595323 YAOSFFFQHBHYSY-UHFFFAOYSA-N 451.531 1.078 30 10 JDEE C=CCn1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc2c(=O)n(C)c(=O)n(C)c21 1873600725 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CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@@H](O)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C 77293375 JDZIWTDCPALRKC-CCGQCGMPSA-N 492.540 1.960 30 10 JDEE in-vitro CC(=NNc1nc(SCC(=O)N2CCN(Cc3nnc(C)o3)CC2)n[nH]1)c1ccccc1O 1084433454 WOYAIRWFAWNFIH-UHFFFAOYSA-N 471.547 1.474 30 10 JDEE COc1ccc(NC(=O)CN2CCc3ccc(C#N)cc32)cc1S(=O)(=O)N1CCOCC1 1168924695 GWRCTSBJGGQFIY-UHFFFAOYSA-N 456.524 1.589 30 10 JDEE COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 1182617812 HXCXWLDDVSQLMW-UHFFFAOYSA-N 451.451 1.707 30 10 JDEE Cc1nc(=NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)n(-c2ccc(C#N)cc2)[nH]1 1182768221 GJYXKPDAFSMFSE-UHFFFAOYSA-N 450.524 1.881 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(SCCN3CCCC3)cc2)CC1 1207339261 JAGGFEDIDOMAME-UHFFFAOYSA-N 451.618 1.492 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC2(O)CCCC2)c1 1286311873 NCQCUYWTDCLSFU-UHFFFAOYSA-N 450.543 1.762 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cn[nH]c1 1286458018 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C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1539094143 LVXXKRDIAJIVGT-SFHVURJKSA-N 494.643 1.203 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1539124775 HSLJPZHFRDKAQB-RXVVDRJESA-N 489.598 1.691 30 10 JDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1539145632 OPZPWPRRVJVGCJ-FQEVSTJZSA-N 486.020 1.874 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCn1cc(C)cn1 1539312526 SLMAMMNKIZHVPC-UHFFFAOYSA-N 450.572 1.906 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCCS(C)(=O)=O 1539365533 MSKBVCMHNYIGFM-GOSISDBHSA-N 483.635 1.913 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1539370494 WPOINHJPOWORAF-HRAATJIYSA-N 489.598 1.451 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(NC(C)=O)c2)CC1 1539490478 WFBHFAVFNLCADZ-GMAHTHKFSA-N 494.596 1.975 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(C)c1 1539517906 TVMQXOPPIOUEAE-HXUWFJFHSA-N 493.655 1.931 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1540901900 UDLFDJUEVUFFIF-HXUWFJFHSA-N 485.614 1.968 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1540907931 MVWBLXPPSCJTAM-UHFFFAOYSA-N 488.618 1.490 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(C3CCOCC3)C[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1540908313 FNDXTXYTJJLYSS-CVDCTZTESA-N 497.662 1.221 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1540908520 XSGZLMGTGHBHOY-JRBPQWBISA-N 479.647 1.855 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1540908627 KFSJZBHMCZVETP-UHFFFAOYSA-N 492.577 1.591 30 10 JDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1544575224 DICUUMSQSKKLPT-VQIMIIECSA-N 472.571 1.363 30 10 JDEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)Cc1ccncc1 1548371090 OFASOKXLJPTHJE-HXUWFJFHSA-N 475.471 1.995 30 10 JDEE COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1555070148 ARNMAKOZRHTIDA-NRFANRHFSA-N 494.618 1.698 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2-c2cc(C(=O)OC)n[nH]2)c1 1566972464 OCBIOSOOVHWRTL-UHFFFAOYSA-N 452.492 1.705 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588029820 MHTFVOBIXGYVJU-LJQANCHMSA-N 458.588 1.179 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1588030693 ZSYJJIDJRZHTPV-RDJZCZTQSA-N 479.990 1.786 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1588069145 IDIVJCUUMJFFCN-FQEVSTJZSA-N 467.599 1.740 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1588069646 RVTCMOWPLVNIEF-QFIPXVFZSA-N 481.626 1.881 30 10 JDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1588458652 IJPMETCGDIQUJV-KURKYZTESA-N 480.635 1.790 30 10 JDEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1593752521 KJHJUBLXPITZLW-UHFFFAOYSA-N 494.600 1.237 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1596782024 GJNFWTKQGOHAJI-MSOLQXFVSA-N 452.563 1.778 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCNC(=O)C(C)(C)C 1608571457 GFQBAPOLQAUBSK-UHFFFAOYSA-N 466.590 1.777 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1611710611 BYATZMWHKKZNAL-RFQIPJPRSA-N 450.487 1.911 30 10 JDEE CCc1nn(C)c(OC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H](C)C(=O)NC 1613897539 CIMAKXSAFQFALX-OAHLLOKOSA-N 450.547 1.988 30 10 JDEE COc1ncccc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1619476512 CQOAJHPHUDBMHU-UHFFFAOYSA-N 497.581 1.652 30 10 JDEE N#Cc1cnn2c(O)cc(CN3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)nc12 1642362346 BZNZVOYQCGTFMO-UHFFFAOYSA-N 450.883 1.606 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)cc1 1649379902 VGAZLCUWOPZUMK-UHFFFAOYSA-N 453.520 1.395 30 10 JDEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1663717211 DXZJWXOSQDXQRH-DOTOQJQBSA-N 455.585 1.666 30 10 JDEE CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)N2CCC(C#N)(C(=O)OC)CC2)s1 1668551765 FWVUCDSXZNEUEI-UHFFFAOYSA-N 456.590 1.809 30 10 JDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1685598369 UALUXVSMMDHKLY-TZQQIIETSA-N 454.545 1.759 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1689994412 XVEZSHRFXZEJGI-UXHICEINSA-N 475.640 1.816 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CC1(N2CCOCC2)CC(OCC)C1 1690022885 WVHKEQAQFHZMLB-UHFFFAOYSA-N 468.627 1.977 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Cl)c(OC)c(OC)c1 1690077074 ICNJSSAAGZDJDL-SFHVURJKSA-N 498.005 1.789 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCS(=O)(=O)CC)CC1 1690120395 TUNXSXZBXZHYMM-UHFFFAOYSA-N 453.572 1.321 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](OC)C2CC2)CC1 1690125015 YRBWXHDPNZKYPC-WOJBJXKFSA-N 474.606 1.767 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCN(C(C)C)C2)CC1 1690150771 UTKYFWQHTPCWQB-FQEVSTJZSA-N 469.634 1.487 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1690659437 SKXDYVKTEAIQPN-KRWDZBQOSA-N 453.547 1.506 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccc(F)c1)C1CC1 1690671101 OXYKHBWWHFOYGJ-IBGZPJMESA-N 492.577 1.221 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C2CCOCC2)C1 1690724524 RAMRTZNOFHWZBY-QZTJIDSGSA-N 472.633 1.034 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1690725145 HIJSBRRXDPDGMZ-FQEVSTJZSA-N 477.606 1.767 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@]2(CCOC2)C1 1690731294 HHFGPSKNOIFZCW-JBYIUTFZSA-N 468.620 1.793 30 10 JDEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1690749338 ZQBZCYJJETZDTF-QGZVFWFLSA-N 453.576 1.715 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1705516718 HSDYLZHGSOVECO-GOSISDBHSA-N 450.609 1.568 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705561018 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C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1705907553 QCEGGROTEKYBNF-INIZCTEOSA-N 456.551 1.593 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1705937338 QPMLIPPJVYPNTB-IBGZPJMESA-N 457.560 1.176 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1cc(Br)cn1 1722294114 GFONEQICBALCNM-KBPBESRZSA-N 455.382 1.687 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722365705 NOMSSSIDJWTESO-ZJSXRUAMSA-N 465.579 1.798 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCNC(=O)Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1722367527 NSHWWDLGRIPXFL-FQEVSTJZSA-N 475.590 1.601 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CN(CC)CC)c1)[C@@H]1CCS(=O)(=O)C1 1722369337 XXVBIWIYGBVQQY-YADHBBJMSA-N 498.653 1.746 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCn2cc([C@H]3CCOC3)cn2)CC1 1722428995 FEUMIAQTQHPAIW-IBGZPJMESA-N 468.606 1.352 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1722435368 HGMLIOSUNFHIPX-JOCHJYFZSA-N 489.418 1.538 30 10 JDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@]2(C)CN(C)C2=O)CC1 1722442601 ZSSQXUKKDKJKQT-QHCPKHFHSA-N 454.600 1.813 30 10 JDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1722493571 IUFQMJUAISTJSM-LNLFQRSKSA-N 499.454 1.947 30 10 JDEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(=O)NCC)CC1 1722617230 IATNECSVEVBECD-UHFFFAOYSA-N 467.622 1.676 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 1722692016 DNZFBXDGPVDFBJ-UHFFFAOYSA-N 492.584 1.696 30 10 JDEE C[C@@H]1CC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3cc(C#N)ccn3)CC2)C1 1726503651 GVGWRNQSVTWCBW-ZHALLVOQSA-N 472.619 1.918 30 10 JDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(CN2CCOCC2)CCCCC1 1740600467 LOXFFWGXWRCIRQ-SFHVURJKSA-N 452.625 1.240 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(CC)cc1)N(C)C 1740640607 RBHBZLWPQJXSND-DHIUTWEWSA-N 498.653 1.549 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1740689029 OBCBODSPZHIGFM-HSZRJFAPSA-N 456.978 1.830 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1740690088 NGDXILUFQSIPET-HXUWFJFHSA-N 499.641 1.184 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2CC(F)(F)C2)CC1 1740703332 OEOPGADPUVJODU-OAQYLSRUSA-N 451.518 1.941 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNS(=O)(=O)CC 1740723115 JMZYWNCQJROXJS-OAQYLSRUSA-N 479.006 1.793 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1740840335 WAXHJKSFMPYJNG-SJLPKXTDSA-N 498.650 1.927 30 10 JDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1740893803 XJCMWVSCPVYSEU-INIZCTEOSA-N 467.617 1.642 30 10 JDEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1740944312 ZIJQEQUAZBPNIG-INIZCTEOSA-N 494.438 1.895 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1740954018 ZDPRRECLMWRXBY-YJBOKZPZSA-N 492.422 1.885 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1740965966 NUKFNSIVPKMAOJ-GMAHTHKFSA-N 496.612 1.965 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H]2C[C@H](F)C2)C1 1740980463 KNIOJUZGTSZMDK-XLAORIBOSA-N 457.572 1.531 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)NCC)CC1 1740988156 VGTJHENYXJSWBW-UHFFFAOYSA-N 462.576 1.406 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)Cc1ccccc1 1748672290 RNYXXFMPDLHRDZ-ICSRJNTNSA-N 460.604 1.201 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCN(C3CC3)C2)c1 1748689363 ASXVHYQNBUYBNR-LJQANCHMSA-N 463.586 1.957 30 10 JDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[C@@H]1NC(=O)NC1=O 1748788274 OUYITTYVGNDJDB-HOTGVXAUSA-N 459.551 1.450 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748819941 VBSFFOXWBPGMOA-LJQANCHMSA-N 473.599 1.276 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1748842918 WFKGHWQDHPJPBH-UHFFFAOYSA-N 450.524 1.634 30 10 JDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC(C)C 1748941160 ZIKJEKAUMYJFCB-CALCHBBNSA-N 468.624 1.836 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(C)C)CC1 1749132185 ZOQZGNIJBOSCET-JBACZVJFSA-N 496.678 1.559 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1749136459 NQWZMLWWUIVQFC-UYAOXDASSA-N 463.608 1.203 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)OC(C)(C)C1 1749230581 ZPULFHSRUVDTKY-DLBZAZTESA-N 457.597 1.207 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1749650906 JDJUNNYSLHMVPF-QFIPXVFZSA-N 473.965 1.126 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1749669203 DDYKQMGYCNOECN-SFHVURJKSA-N 487.992 1.386 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1749732192 RXLNZIMHAZNWKC-RBUKOAKNSA-N 453.609 1.279 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1749732507 XPXAOAMHMCHYIC-GOSISDBHSA-N 490.586 1.130 30 10 JDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1749751884 DAMATBMVUXUAOW-HDICACEKSA-N 456.572 1.961 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1760180657 IXQGLOVHRXBXFN-JPYJTQIMSA-N 490.582 1.395 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C(CC)CC)N(C)C)[C@H]1CCS(=O)(=O)C1 1760190764 YRKYPQZEMVVXNL-AZUAARDMSA-N 459.620 1.728 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCCC1 1760219741 MDYAZWZMQBNUAA-IBGZPJMESA-N 463.604 1.159 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-n2ccnc2)c(F)c1 1760233865 PWYLDGCKIIAQAY-FQEVSTJZSA-N 487.561 1.444 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCCS1(=O)=O 1760241127 POMBAYLVIVOXFU-OALUTQOASA-N 459.547 1.975 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(F)cc2)n1 1760253357 XWZZZRIUTRXOGD-HXUWFJFHSA-N 451.506 1.899 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCNC(=O)C(C)(C)C)CC1 1760254980 RSCASSHOFSIQRQ-UHFFFAOYSA-N 476.423 1.964 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1760259818 QLJQVQUGWYUDDG-MSOLQXFVSA-N 456.513 1.538 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)OC)CC1 1760275761 HYPUSPJXMZEZJS-UHFFFAOYSA-N 492.627 1.450 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1760316838 XNJBVXQHJZDYSL-JKEDJMADSA-N 453.609 1.875 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1760356641 SPPYKOBJZGXMQN-SFHVURJKSA-N 470.578 1.646 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(CNC(C)=O)CC1 1760523383 WOBHXQKPZQVJDZ-UHFFFAOYSA-N 462.558 1.786 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1760539572 QRGDVPLLSNRDKH-VQIMIIECSA-N 476.559 1.916 30 10 JDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCCO[C@H](C)C2)CCOC1 1765879347 HAQYSULWFGAVOI-BVYCBKJFSA-N 450.559 1.873 30 10 JDEE CCOc1ncccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1767645411 BFFSNZWZXLDUPS-XMSQKQJNSA-N 489.602 1.583 30 10 JDEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CCOC1 1769761890 DASSXNWDLLLTGV-AVRDEDQJSA-N 474.587 1.388 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCN(C(=O)C2CCN(C(=O)C(F)(F)F)CC2)C1 1858310006 OFWSDGYTRFAQIV-OAHLLOKOSA-N 458.462 1.238 30 10 JDEE N#Cc1ccc(NC(=O)[C@@H](CO)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 1866603552 KCHUDPFLENUHJP-HXUWFJFHSA-N 458.430 1.677 30 10 JDEE COCCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3Cc3ccc([N+](=O)[O-])cc3)cc2C1=O 1870107219 YSIDOLVLHCIXIF-UHFFFAOYSA-N 489.448 1.991 30 10 JDEE COCCNC(=O)COc1cn(CCCO)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870289116 SZJAHKPVBBLFRV-UHFFFAOYSA-N 474.583 1.856 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(N4CCN(C)C4=O)cc3)CC2)CC1 1889464685 OGTFSVAZBOEKRG-UHFFFAOYSA-N 467.614 1.821 30 10 JDEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@@H](O)C(F)(F)F 2254194154 LNSIXKIOJQTNBW-RWMBFGLXSA-N 466.457 1.774 30 10 JDEE Cn1cc(C(=O)N=[S@](C)(=O)CCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255831345 UIUHHQJZLGKMTH-WJOKGBTCSA-N 456.374 1.482 30 10 JDEE COC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256627909 ZFILWRBMJRAHJT-FQEVSTJZSA-N 455.386 1.988 30 10 JDEE CC(C)(C)OC(=O)NCc1nc(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)n[nH]1 2267372968 WTXATJPWWUJMAI-UHFFFAOYSA-N 485.397 1.991 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2267872943 WMMNQMYBOCZWJV-NSHDSACASA-N 460.262 1.961 30 10 JDEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2269901560 WRSWSXQQLBZBIZ-AWEZNQCLSA-N 450.345 1.124 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@H]2CN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282302203 KLGVXGHCBBJZLV-JCGIZDLHSA-N 479.408 1.915 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282346719 PWGQPKSCCNISPJ-SJORKVTESA-N 482.408 1.946 30 10 JDEE COC(=O)[C@@H](CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)NC(=O)OC(C)(C)C 2282681026 UIHIAIAHRLGCND-OAHLLOKOSA-N 465.356 1.511 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)n1 2282834461 UWXZNFHDVOOIAM-GFCCVEGCSA-N 498.333 1.453 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H](O)C1 2282860582 CPWLJCQPWKJIDL-ZWKOTPCHSA-N 482.408 1.634 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2335426629 UCEWPHNGJKIUBR-AWEZNQCLSA-N 488.437 1.601 30 10 JDEE CN(C(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2361507729 DHKDYKMXPWTRHZ-AWEZNQCLSA-N 463.388 1.832 30 10 JDEE COc1cccc(/C=N/Nc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2ccc(C)cc2)c1 33458960 AJNBZQVRZFDYKL-YTIGJDNKSA-N 478.509 1.626 30 10 JDEE CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12C 253530589 NKDFYOWSKOHCCO-NGAIJLNGSA-N 480.642 1.854 30 10 JDEE biogenic COc1cccc(C=NNc2nc3c(c(O)nc(=O)n3C)n2C[C@@H](O)COc2ccccc2)c1O 254870756 ARTBWLPKIKLIHQ-OAHLLOKOSA-N 480.481 1.436 30 10 JDEE C#CCN(C(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)[C@H]1CCS(=O)(=O)C1 729330783 DTLOAIIKASZAQM-IBGZPJMESA-N 464.540 1.818 30 10 JDEE C#CCN(C(=O)CN1C(=O)NC2(CCC(C(C)(C)CC)CC2)C1=O)[C@H]1CCS(=O)(=O)C1 729331360 MRPBLANPPMTUSH-JQHMZKTJSA-N 451.589 1.552 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C3)cc2C1=O 747208390 QQEOQNVBMUDVEQ-KRWDZBQOSA-N 484.553 1.962 30 10 JDEE C#CCN(C(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1)[C@@H]1CCS(=O)(=O)C1 918755554 CVGYRJKDMYVWQO-QGZVFWFLSA-N 452.579 1.740 30 10 JDEE Cc1nn(CCO)c(C)c1C=NNc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N 1084322876 ZRIQEXAQRMEXLD-ZDUSSCGKSA-N 457.564 1.213 30 10 JDEE CCc1nnc(CN(CC)C(=O)CSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)o1 1084568779 MQUORWDWZCZNHA-UHFFFAOYSA-N 461.556 1.302 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1286273484 IWCXVXPKWZKQEH-JKSUJKDBSA-N 466.608 1.913 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286298144 GCGQFNRGANMINU-AOMKIAJQSA-N 481.619 1.400 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1286395314 ZRGRYUJDSBBDQK-GOSISDBHSA-N 459.572 1.005 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccc(F)cc1 1286446898 IMAMPYVSNXROEX-WIYYLYMNSA-N 465.551 1.117 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)N(C)C2CCCCC2)CC1 1286469811 LUKQENBKWMUBMY-UHFFFAOYSA-N 464.574 1.472 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2(O)CCS(=O)(=O)CC2)CC1 1286475169 SIMAGCRCIBIZNO-UHFFFAOYSA-N 498.436 1.947 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(CC)CCOCC2)CC1 1286486479 MITSUWPFDOTBHK-KRWDZBQOSA-N 480.635 1.061 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2c(C)nn(C)c2C)CC1 1286487721 HSTQPXUHZSKTHQ-XMMPIXPASA-N 469.590 1.295 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCn2cnnn2)CC1 1286488916 YBVHDELMXNCIQF-KRWDZBQOSA-N 481.536 1.600 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1286494377 MXCGCLQOUPEEOO-OAQYLSRUSA-N 498.653 1.311 30 10 JDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2F)CC1 1286535003 DVCXDEKPZPVIAJ-CYBMUJFWSA-N 488.387 1.658 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccco1)N(C)C 1286581089 FDMKZPJLQKHMCQ-IEBWSBKVSA-N 466.608 1.909 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1286592368 BAYOYMDERBQODI-RBUKOAKNSA-N 470.640 1.124 30 10 JDEE C=CC[C@H](Cn1c(C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccccc1 1286678470 XNJJFHWUTYJXNB-OAQYLSRUSA-N 452.559 1.454 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1286701205 WQPDPCVNJCYAHS-IBGZPJMESA-N 476.603 1.961 30 10 JDEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](NC(C)=O)C1 1286710622 ACKVWLKTTLPOFG-GOSISDBHSA-N 475.619 1.936 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](OCCOC)C1 1286785077 ANBZJZGMNBNVBV-INIZCTEOSA-N 467.530 1.528 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCC(O)CC2)C1 1286797747 AMYTTYDQHXDNKB-LJQANCHMSA-N 455.563 1.554 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 1286809391 IUTJJEGIYZPOOY-BRWVUGGUSA-N 477.553 1.846 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300483385 LFIQILYQPKCDCX-ZJSXRUAMSA-N 493.674 1.677 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1300484425 RXSHLLDOCBWYOM-IPJJNNNSSA-N 466.604 1.372 30 10 JDEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1300501125 HBNOEQMCPXGMEG-IBGZPJMESA-N 468.583 1.503 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1300557445 TZUGKYHSKOXEHR-GGAORHGYSA-N 498.653 1.733 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1300578825 PRCQEDQHZVFCNZ-AWRGLXIESA-N 490.674 1.584 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(C)(C)O)c1 1300631937 YMCOYLWTWXLHKV-IBGZPJMESA-N 461.588 1.346 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)CCS(C)(=O)=O 1300891164 JRJYBNTYIWCSIW-YJBOKZPZSA-N 467.617 1.732 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1301457947 HRBSGKPUNNRDJA-IBGZPJMESA-N 479.578 1.510 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCOC1 1301586959 WGSNLJVCNBESIS-QGZVFWFLSA-N 486.598 1.748 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1302989006 FUXONZASEHWHGQ-INIZCTEOSA-N 468.505 1.936 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2Cc2ccc(F)c(F)c2)C1 1316353289 ATSBWXPQPUIZMW-GOSISDBHSA-N 466.514 1.677 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1358905182 USBDNMGKSPHUOL-IBGZPJMESA-N 472.615 1.583 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1358964504 AECDBIZNOVYNTQ-MSOLQXFVSA-N 465.601 1.066 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1358965877 CYCQQEKWIWJVKF-LJQANCHMSA-N 473.599 1.223 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1nnn(C)n1 1358989804 QCSLFHCDHPQUJU-UHFFFAOYSA-N 455.320 1.751 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCO[C@@H]1C 1359018242 JCNJTHZGTFYQDU-OPAMFIHVSA-N 461.950 1.487 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCS(=O)(=O)NC)CC1 1359029709 FTXZYEPQMOSVFO-LJQANCHMSA-N 460.604 1.339 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1359030259 RMNLYIUIBHWKAM-FQEVSTJZSA-N 496.612 1.854 30 10 JDEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359284243 BIHVWTZVZQHECI-UHFFFAOYSA-N 479.541 1.977 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1359303991 HOCZKCYRAFEXOJ-UHFFFAOYSA-N 475.479 1.813 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1359331158 OXFSUILCGBUEEE-UHFFFAOYSA-N 489.627 1.612 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCC(C)(C)C)CC1 1359332701 DXIHHTWOZUXZSS-GOSISDBHSA-N 487.692 1.339 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(c2cccnn2)CC1 1359334942 VNHQMGZKULWDBM-UHFFFAOYSA-N 459.601 1.648 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1502372064 AGYVQMZOSWORAK-INIZCTEOSA-N 472.546 1.862 30 10 JDEE CCOc1ncccc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1502930361 GCKLCUKZOXHFAZ-FQEVSTJZSA-N 477.525 1.522 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507621998 ADFJSGZIMLJLHP-IRXDYDNUSA-N 478.644 1.407 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1507637471 BBCULOKCHKWAMY-HXUWFJFHSA-N 476.647 1.149 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccnc2OCCC)CC1 1507718059 AGXSWOVBARWYDW-DEOSSOPVSA-N 454.575 1.918 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 1507723451 JARFPAQHSLSBGR-KRWDZBQOSA-N 458.950 1.703 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1507764103 JVQICVVKARVQTN-HTAPYJJXSA-N 491.639 1.622 30 10 JDEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C)C(=O)[C@H]1C 1507957363 GWQJWDDLGGYITN-QGZVFWFLSA-N 475.619 1.806 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1508079282 QBZJSWJFUQNSSS-QGZVFWFLSA-N 454.556 1.809 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(C)=O)C[C@H]2C)cc1 1508100988 SBGJGDXBOFWJKX-XLIONFOSSA-N 473.599 1.850 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1508143643 MHSNICNJRGDVEB-IAGOWNOFSA-N 478.644 1.543 30 10 JDEE CC(C)(C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1508629480 IEPKFMBTSWSVAN-SFHVURJKSA-N 464.574 1.732 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(OCC(F)(F)F)nc1 1510188879 DIWNAMGEMGFSSU-SJCJKPOMSA-N 491.471 1.715 30 10 JDEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1517777157 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CC(C)NC(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1541689722 HNHUFUNGLSHNDC-UHFFFAOYSA-N 459.558 1.772 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCN(C(C)C)CC1 1587578961 AUEYOLDISDHMMU-IBGZPJMESA-N 488.658 1.889 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)CN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1588050815 VIUHTOZWKCJDTN-WOJBJXKFSA-N 473.647 1.174 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588054633 OWYVGJOSXOECCP-IKGGRYGDSA-N 476.628 1.220 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1588058716 BBJNFPYMNNGVEF-HNNXBMFYSA-N 461.498 1.066 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCS(=O)(=O)C1 1588089190 GLPKZJCIWGTVOC-KRWDZBQOSA-N 474.612 1.054 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)Nc2ccccc2)CC1 1588733667 XYYBPRAJJJGIAF-UHFFFAOYSA-N 458.526 1.709 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(C(F)F)c2)CC1 1588836456 KDFVNKVULPYOJY-IBGZPJMESA-N 494.568 1.352 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC[C@H]2COCCO2)CC1 1588947533 QRBYIMDPBSNGRW-NRFANRHFSA-N 467.570 1.649 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](C)N2CCN(c3ccccc3)CC2)CC1 1588968527 MQOHMHFQVRUURC-QFIPXVFZSA-N 493.656 1.991 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2nnc3n2CCCCC3)CC1 1588969059 VCZOWXROWQSAIO-UHFFFAOYSA-N 454.579 1.341 30 10 JDEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1593728667 AMHQKZACZVQSSC-UHFFFAOYSA-N 484.601 1.527 30 10 JDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1593806403 AGPYBBSMTSFJNK-HZPDHXFCSA-N 457.988 1.360 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1595766494 QYEWVCSTRKVANO-IBGZPJMESA-N 497.419 1.506 30 10 JDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)[C@H](C)O)cc1 1611311198 FUDKNZNNOMMSKQ-KKSFZXQISA-N 457.556 1.075 30 10 JDEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN1CCOC[C@H]1C 1613314243 HFGFJYURAWZSOI-QZTJIDSGSA-N 455.611 1.753 30 10 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1.562 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1690175446 XQBYCVRRJYVMKH-SFHVURJKSA-N 489.623 1.215 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1690253434 QQOVKAKMIXHDSZ-GCJKJVERSA-N 491.614 1.929 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1690302978 QOGMIYTXNNSFDN-KRWDZBQOSA-N 461.588 1.998 30 10 JDEE C=C(Cn1c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C)c1ccccc1 1690325940 NGEIAMDOLSTGPB-UHFFFAOYSA-N 466.586 1.796 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN2CCCO[C@@H](C)C2)CC1 1690397090 VETXJMOVHKFJLK-ZWKOTPCHSA-N 454.641 1.792 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1690675805 FVNIVIRFBMNCNK-UHFFFAOYSA-N 464.530 1.025 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCC(O)CC2)C1 1690689578 HKLFCCBPJZOFIV-NRFANRHFSA-N 489.642 1.977 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1690720276 DNFSYDHNWAZZRW-QGZVFWFLSA-N 482.628 1.958 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1690726740 JYQLGRCGDXCHGK-ZWKOTPCHSA-N 467.617 1.619 30 10 JDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1690740179 LSLPWGBFVNBEBR-HXUWFJFHSA-N 472.663 1.886 30 10 JDEE CCOc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@]2(O)CCS(=O)(=O)C2)cc1OC 1696108320 GCWVFHMMLFAOKH-YCRPNKLZSA-N 463.560 1.640 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1705563405 WUGDUAQNIJPYLG-KRWDZBQOSA-N 459.572 1.780 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ncccc2N(C)C)CC1 1705768914 CXFMFNDFIBRQRG-IBGZPJMESA-N 461.592 1.277 30 10 JDEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705826077 MTLXDMCXLAAQRI-UHFFFAOYSA-N 490.008 1.567 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(Cn2cncn2)CC1 1705907046 YLMXYBIMVHEAQZ-UHFFFAOYSA-N 450.547 1.976 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705931761 ZDPYPQJHSRCQRI-QFIPXVFZSA-N 483.642 1.634 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(N(C)C(C)=O)CC1 1705933187 XIALINABIKUKGV-UHFFFAOYSA-N 475.571 1.722 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1705936428 QQIQWKRNULACDD-FQEVSTJZSA-N 494.662 1.255 30 10 JDEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC[C@H]1C 1706641417 CZEGUPVKKIMSBU-GOSISDBHSA-N 455.563 1.410 30 10 JDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1711520847 FJFLZWLBVBUSPD-LJQANCHMSA-N 467.574 1.508 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1722361118 LCWBUYJIHQCJRW-MRXNPFEDSA-N 456.503 1.580 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1722362956 XOECFLXFJMERNB-NVXWUHKLSA-N 485.536 1.190 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCN1CCCS1(=O)=O 1722392927 WRHIUUBDURMBII-UHFFFAOYSA-N 471.583 1.851 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCc2ccn(C)n2)CC1 1722431900 PSUVQHRXAVWFDS-UHFFFAOYSA-N 466.977 1.593 30 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JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)N(C)Cc1ccccc1 1740610501 CXZBEVGZKRJHDN-TZIWHRDSSA-N 474.631 1.591 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740620915 HVZOLRFLYPWIMD-KNQAVFIVSA-N 460.604 1.637 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740621675 YNMTUYAUKQPPHU-AEFFLSMTSA-N 479.006 1.341 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 1740623241 QIBKXZCLXJVBTH-CXAGYDPISA-N 465.938 1.697 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1740627699 JHFVCSGQHRTPDK-WEKZMCDFSA-N 470.661 1.592 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2cccnc2N2CCOCC2)CC1 1740702796 XUWXQQVUKFWLFD-UHFFFAOYSA-N 451.575 1.647 30 10 JDEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740812093 MXOWCYPXFHSFDC-UHFFFAOYSA-N 458.950 1.557 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@@H]2CCOC2)CC1 1740995540 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1749009666 VDKQUDBCOYHPLA-UHFFFAOYSA-N 451.556 1.957 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCn2cc(Cl)cn2)CC1 1749017095 VVMSTLBTFANEBX-UHFFFAOYSA-N 452.950 1.780 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@]2(O)CCOC2)CC1 1749019192 NZBHRELVJYILRL-DEOSSOPVSA-N 485.610 1.696 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccsc1 1749230030 SWQBPCWIUNMNHW-QGZVFWFLSA-N 455.606 1.902 30 10 JDEE C=CC1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCS(=O)(=O)NC(C)C)CC1 1749336414 JLBDGPNWCOMXSV-UHFFFAOYSA-N 495.675 1.968 30 10 JDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCS(=O)(=O)C1 1749467697 YFESOLQZGJPFIN-MRXNPFEDSA-N 466.633 1.994 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCc2nccn2C1 1749574851 GSSABJDBKJZUMI-ZWKOTPCHSA-N 461.592 1.249 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)N3CCOCC3)CC2)cc1 1749683063 IDJRMGXABXTIAF-UHFFFAOYSA-N 497.600 1.604 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCOC2=O)C1 1749696280 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475.600 1.408 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNc2ncc(Cl)cc2Cl)CC1 1748990487 XQIRFLYGUBMKPF-OAHLLOKOSA-N 498.440 1.749 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1749006533 QSYFRKZXNXKZNL-QGZVFWFLSA-N 471.583 1.354 30 10 JDEE C#CCSCCn1c(N2CCN(c3cccnn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749049749 QGHVJRLNKQIVIP-JOCHJYFZSA-N 457.604 1.802 30 10 JDEE CC(=O)N1CCN(CCn2c(N3CCC(CC#N)CC3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1749889211 JELXUAVJSGWOCL-XMMPIXPASA-N 473.622 1.613 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCS(=O)(=O)CC)c1 1760125256 GTSKZCTXBRUFNV-UHFFFAOYSA-N 454.556 1.775 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1CCN(CC(F)(F)F)CC1 1760249375 KJTGAIAZJJILLG-SFHVURJKSA-N 491.580 1.931 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCC2CCN(CC)CC2)CC1 1760264789 FNSONNHPEVTVCP-UHFFFAOYSA-N 457.623 1.504 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(OCc2ccccc2)CC1 1760527244 PTSZSZCWYRXXPN-UHFFFAOYSA-N 452.559 1.888 30 10 JDEE 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477.569 1.962 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1539477819 ZOXZOISVOLJDCZ-FCHUYYIVSA-N 499.660 1.332 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2ccccc2)CC1 1539482942 YQZVTEMLPQPVHF-UYAOXDASSA-N 485.610 1.614 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ncccc1Cl 1539556504 DSBSAENMGQMFLM-DYESRHJHSA-N 495.005 1.731 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCO)c(OC)c1 1539557545 WSYWGWCININHIN-WZONZLPQSA-N 474.583 1.600 30 10 JDEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1539772025 CWAQSAWXZXXEFZ-UHFFFAOYSA-N 472.985 1.952 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1540004956 IISCRVYNJVQIPB-GOSISDBHSA-N 484.623 1.634 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Cn1cccn1 1540072691 MAMZKSVEPXAQIZ-FQEVSTJZSA-N 471.587 1.526 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 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C#CCn1ccc(CN(CCOC)C(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)n1 1568521434 ACKCUDBIZYBQON-UHFFFAOYSA-N 458.462 1.489 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCCn2cc(CO)nn2)c1 1587693136 PPMBBJYLEJOPHV-LJQANCHMSA-N 478.557 1.402 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588024456 DGDBPGLPXPYPRK-FGZHOGPDSA-N 498.653 1.708 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1588035401 UADMMEZACBGCGR-OXJNMPFZSA-N 465.601 1.370 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588055301 VEABXWCYIUHKIT-JKSUJKDBSA-N 463.526 1.293 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)c(Cl)cc2OC)CC1 1588199259 LDVBTHKYGXOINS-UHFFFAOYSA-N 450.742 1.337 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnccc1OC 1588647570 XGXRDUFSJCVZPN-UHFFFAOYSA-N 462.558 1.990 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1588752384 RHKOQLYBNUUHLW-FBLLAGFSSA-N 474.650 1.573 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCn2cnnn2)CC1 1588891160 LZXMCTYMYWEFBB-KRWDZBQOSA-N 481.536 1.600 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCc2cnn(C)c2)CC1 1588892019 VSAZMJRMRJFOAU-XMMPIXPASA-N 469.590 1.262 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1589484975 WTWKYWLUGKSUEY-SQNIBIBYSA-N 473.578 1.164 30 10 JDEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1593851827 GFHSIGOUVKHRMR-OAHLLOKOSA-N 453.952 1.987 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(OC)c2)CC1 1594733789 YJVYIRJJAFVYLX-NRFANRHFSA-N 490.630 1.912 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1CCN1CCN(C(C)=O)CC1 1595084119 HVEHNVSMFPLIJD-UHFFFAOYSA-N 478.601 1.645 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](OC)C(C)(C)C1 1595536524 CKHOZAWSVRJRGE-QGZVFWFLSA-N 451.531 1.355 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](S(C)(=O)=O)C2)cc1 1595614539 WUZAVXPCJRFWFX-MJGOQNOKSA-N 480.612 1.417 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1595759457 FLLRDBOLLMZMAO-HNNXBMFYSA-N 495.005 1.129 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1595760524 ORDGGFPGIURUFR-NRFANRHFSA-N 486.642 1.930 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(C(C)=O)CC1 1595772706 GNMYSPDBJYAKRM-UHFFFAOYSA-N 452.968 1.653 30 10 JDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1595866237 DAIJFHWHEJHIMX-UHFFFAOYSA-N 469.619 1.978 30 10 JDEE Cc1nc([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCNC(=O)C(C)C)CCO2)no1 1612385734 DXPUATQKICSKGN-SFHVURJKSA-N 450.503 1.858 30 10 JDEE CCN1CCN(CCCn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1615895314 FOEZGCDZPFREPJ-JOCHJYFZSA-N 474.610 1.739 30 10 JDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCN(C(=O)c3ccc(O)cc3)CC2)CC1 1644820306 GMNWAZJBUFHDFZ-FQEVSTJZSA-N 453.568 1.621 30 10 JDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1689860949 LMNQKSAFNVPVMA-YSIASYRMSA-N 459.620 1.802 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1690150759 UCMZOHGTJPOCTF-LJQANCHMSA-N 476.647 1.258 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)C2CC2)CC1 1690236586 OTFPEOQFGGRUSM-WDSOQIARSA-N 480.635 1.318 30 10 JDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690284518 FUPIGJJKXDVCBG-OAHLLOKOSA-N 467.621 1.332 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccs1 1690312951 HHTNQTPGIWKCFH-QGZVFWFLSA-N 455.606 1.902 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690334347 LWIKFNLHPFKRDQ-NRFANRHFSA-N 492.989 1.916 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1690499868 CRYOOVNVSVSTQL-PKOBYXMFSA-N 459.572 1.656 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCS(C)(=O)=O 1690663474 XWRSXGKHFQISMH-AWEZNQCLSA-N 451.618 1.914 30 10 JDEE Cc1n[nH]cc1CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1692915890 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1705634824 JZDQEVATZZNCGJ-DEOSSOPVSA-N 487.626 1.526 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[C@](C)(O)c2ccccc2)CC1 1705635410 YHNOQIFZVWTHFE-DQEYMECFSA-N 453.587 1.983 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1705641169 VKFLRRRZLIMKJC-UHFFFAOYSA-N 480.594 1.502 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cncn2)CC1 1705698295 RVZVKWTWMQZYCR-WDSOQIARSA-N 478.623 1.378 30 10 JDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1705725616 LFTMWZZPRMNUEZ-INIZCTEOSA-N 465.542 1.847 30 10 JDEE C=C(Cl)Cn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1705760620 NPNHYHCCIXITPD-MGPUTAFESA-N 452.943 1.449 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1705934213 FIVLAXHRCDVPFZ-XMSQKQJNSA-N 459.572 1.236 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1705935281 MDGSQTKUEZIBOY-KRWDZBQOSA-N 461.544 1.119 30 10 JDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCOC[C@@H]2C1 1705942632 YXNUIESLCRSCGH-IBGZPJMESA-N 492.671 1.635 30 10 JDEE Cc1cc(C)n(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCNC(=O)C(C)(C)C)n1 1707831653 HXUIRDBTPNRRJC-UHFFFAOYSA-N 490.616 1.895 30 10 JDEE CCc1cnc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)s1 1708969809 BIKYMYUOVXKLCK-ZFWWWQNUSA-N 453.594 1.274 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCc2ccccc2C1 1722352324 OBDNRUBNIYWZLZ-GHTZIAJQSA-N 472.615 1.127 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccnc1OCCOC)[C@H]1CCS(=O)(=O)C1 1722361762 PAQGIBNYLBAMHF-FQEVSTJZSA-N 482.566 1.435 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1722365219 LXLNPKUXAXBRFE-SFHVURJKSA-N 473.628 1.659 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1722365449 OEUNIFIIQADWDU-UTKZUKDTSA-N 454.593 1.370 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(N2CCCCC2)c1 1722384797 UITQVEDBAHDPTQ-NRFANRHFSA-N 497.625 1.117 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)NC)c1 1722473465 FDLOFACHBQUPAC-AUSIDOKSSA-N 455.584 1.775 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCCNC2=O)CC1 1722603797 NHGWOWWSIZNNRD-LJQANCHMSA-N 495.650 1.351 30 10 JDEE C=CCCCn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1[C@]1(OCC)CCOC1 1722623397 UPDKYHRVCDFDMH-QHCPKHFHSA-N 455.563 1.717 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1722692577 RWEXFOGYLXFZLR-MSOLQXFVSA-N 489.621 1.946 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ncccc2F)CC1 1722698528 GXENGOVSRJWACN-OAHLLOKOSA-N 478.550 1.064 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1722706061 MEIYUKYNQHVFQB-YLJYHZDGSA-N 474.993 1.970 30 10 JDEE CC(C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1723632891 GJZQWQLBHMSFPS-UHFFFAOYSA-N 478.601 1.904 30 10 JDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C[C@H](C)O1 1730609750 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N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCNS(=O)(=O)C=Cc2ccccc2)CC1 2297379257 IZXSNPVSCABDDW-UHFFFAOYSA-N 488.591 1.372 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)[C@H](S(C)(=O)=O)C1 2312860844 CFQRMOLUMXBCMO-BYNSBNAKSA-N 458.386 1.617 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)OC(C)(C)C 2337205140 VBKDIYMIJNNJIO-UONOGXRCSA-N 450.345 1.131 30 10 JDEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H](CCO)COCc3ccccc3)c2)OC1(C)C 2343588500 MRFQBPBWUOXLGB-IBGZPJMESA-N 462.377 1.627 30 10 JDEE NS(=O)(=O)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3ccc(O)cc3)n2)cc1 20833652 SGGPYZLFVYFDNR-RGVLZGJSSA-N 461.529 1.725 30 10 JDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCCC(=O)Nc2ccc3c(c2)OCCO3)n[nH]1 59888173 OPSYEFZRYDUBIA-WSDLNYQXSA-N 486.558 1.948 30 10 JDEE Cc1cc(O)c2c(c1)C[C@@H](O)C1=C2C(=O)c2c(O)ccc(O[C@H]3C[C@@H](O)[C@H](O)[C@@H](C)O3)c2C1=O 70647084 KFUXKXHMNCBEOS-XNZPQWAXSA-N 468.458 1.392 30 10 JDEE in-vitro C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(S(=O)(=O)NCCOC)cc3)cc2C1=O 515570910 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1286625758 ZIEHHWNTDSZZPU-UHFFFAOYSA-N 492.769 1.795 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N2CCCC2=O)C1 1286686866 DGQYORLHCCYWFR-ROUUACIJSA-N 466.608 1.168 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(C)=O)C[C@@H]1C)C(C)C 1286750600 DSUMJVJADUHFMI-CEWLAPEOSA-N 457.623 1.985 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ncccc2F)C1 1286810977 YJGGYZPNMFGFQH-HOTGVXAUSA-N 451.524 1.575 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1286818643 LQZKQRJHQVTDRW-UHFFFAOYSA-N 462.576 1.856 30 10 JDEE Cc1ccc(OCc2nnc(N(CCC#N)CC3CC3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1289790428 DRRDWXGNXJCGLS-JOCHJYFZSA-N 459.572 1.845 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1300307381 FRSCEYOJUHCAEU-ULQDDVLXSA-N 484.623 1.324 30 10 JDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1300402731 BEWLWUAYIHHNFC-HOTGVXAUSA-N 466.633 1.909 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OC)nc1OC)[C@@H]1CCS(=O)(=O)C1 1300487810 MHXQMENEZZPIOC-GOSISDBHSA-N 468.539 1.427 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1300490882 CNLXDRXEASOAKH-CYBMUJFWSA-N 460.470 1.138 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300501260 IJFGKLLTKCDLLJ-PZJWPPBQSA-N 463.648 1.606 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300502798 XRKFZTFOEKLYFI-MJGOQNOKSA-N 463.629 1.278 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1300504013 IDAIREIIBVPETF-NCXUSEDFSA-N 468.620 1.485 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(=O)NCC(F)(F)F)CC1 1300708071 MPJHELAGFFUFIM-UHFFFAOYSA-N 464.492 1.908 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1300715856 GMSIBAQLXBZRCI-NRFANRHFSA-N 494.596 1.843 30 10 JDEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1300989820 GXISHLPCFMBMKB-QYZOEREBSA-N 490.605 1.894 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1301189339 VBQQOBKYFBLAHB-MSOLQXFVSA-N 489.664 1.371 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1301475779 YFDGVYIWMBSIAH-QGZVFWFLSA-N 457.604 1.761 30 10 JDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1301609618 MFCZDZAXQTYCIV-QZTJIDSGSA-N 461.636 1.281 30 10 JDEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1301846492 HYXGALVBAJTJBL-GOSISDBHSA-N 472.571 1.268 30 10 JDEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1303009115 FMXWXDIMXKYTEF-MAUKXSAKSA-N 484.454 1.988 30 10 JDEE CC(C)COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1303217022 BXSQZJYXMDMONX-UHFFFAOYSA-N 469.546 1.732 30 10 JDEE Cc1cccc(C(=O)NCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1304442342 BQRVXLJLZYHHSH-SFHVURJKSA-N 460.498 1.393 30 10 JDEE Cc1cnn([C@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCNS(C)(=O)=O)C2)c1 1304599238 CPLQGFKSPMWQLS-IBGZPJMESA-N 454.560 1.712 30 10 JDEE CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)ccc1OC 1310361124 ANBUIUXYRSLOPF-GOSISDBHSA-N 456.503 1.753 30 10 JDEE CN(C)C(=O)Nc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cc1 1314646412 BQEKTXZRWXZXPW-IERDGZPVSA-N 475.550 1.764 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCc2sccc2C1 1358890455 PQJLEIWHVSODBY-WMZOPIPTSA-N 478.644 1.189 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2F)C1 1358930228 QMTHYQAFRDZWMO-PMACEKPBSA-N 477.562 1.741 30 10 JDEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1358956319 DJZHQILZGVSEPN-SFHVURJKSA-N 480.594 1.907 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358956892 MAOLVQGEKBPVBA-MJGOQNOKSA-N 479.628 1.148 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1358966304 MEIZJQFAKXKMSU-FQEVSTJZSA-N 482.610 1.789 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)N1CCN(CC)CC1 1358987877 VWNYWFPGFJBNBW-NRFANRHFSA-N 482.654 1.838 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=C)Br)CC1 1359042152 UOBGDOBAXMQXOJ-FQEVSTJZSA-N 466.380 1.805 30 10 JDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359060219 NWTWOUPBAJQLOR-IBGZPJMESA-N 468.583 1.739 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc(Br)cn1 1359070734 TZCICYYWSNDYPU-KBXCAEBGSA-N 467.393 1.832 30 10 JDEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1359087454 GPWWWRCWLMVFFV-HNNXBMFYSA-N 454.300 1.856 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1359334881 SZKABTUYRBRKLW-RTBURBONSA-N 473.599 1.790 30 10 JDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1359345659 MNLFXBVGADYTMT-UHFFFAOYSA-N 475.663 1.454 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2C[C@@H](OC)CN2C(=O)OCc2ccccc2)n1 1436121266 OURLHRVSKUJFPK-YADHBBJMSA-N 454.527 1.917 30 10 JDEE CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 1503677244 GADSXDBHOIQFOZ-UTKZUKDTSA-N 477.491 1.388 30 10 JDEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)c(OC)n1 1504265123 DNNRWGLNZKCJQZ-UHFFFAOYSA-N 456.528 1.758 30 10 JDEE COc1ccc2c(c1)nc(Cn1c([C@H]3CCS(=O)(=O)C3)nnc1N(C)C[C@@H](C)C#N)n2C 1504316584 AVPPIINAAVZSKP-GJZGRUSLSA-N 457.560 1.720 30 10 JDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1507559922 ZGJPYBKOIZGNDQ-UHFFFAOYSA-N 471.591 1.035 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1507632847 QFFXGAASOFEDTI-MOPGFXCFSA-N 492.623 1.251 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)CN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1507633162 BZVZOEAAJVWADX-FYYLOGMGSA-N 499.685 1.164 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CC(=O)N1CCOCC1 1507645006 UAWLPQSKADVLCR-UHFFFAOYSA-N 460.307 1.778 30 10 JDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507753657 PORIUFFRZFGZFW-SFHVURJKSA-N 463.629 1.736 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1507832343 YWUSJMIYDDYUMW-ZWKOTPCHSA-N 468.624 1.320 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCOC1 1507997264 QDJCLHDNJCKRFC-KKSFZXQISA-N 460.560 1.104 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1508048446 RUOGHYTZUCNJMG-UHFFFAOYSA-N 466.571 1.775 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1508072605 HAXOMQDRDPOIAD-GDBMZVCRSA-N 450.565 1.687 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1508084398 BANRKXPONFYQGH-UHFFFAOYSA-N 479.541 2.000 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC(=O)N2)C1 1508122244 CYHSXUJNLFWRLF-KURKYZTESA-N 476.578 1.646 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCC[C@@H]2CC)C1 1508122920 HBFBNVHJOPLORF-PWRODBHTSA-N 496.678 1.657 30 10 JDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1515060472 GKNHDXLINRDTJZ-UHFFFAOYSA-N 459.576 1.251 30 10 JDEE C#CCSCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1 1524631838 LLLKCODHLQICBD-UHFFFAOYSA-N 450.630 1.918 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1539219203 HBUYQLKAAAIYPL-MOPGFXCFSA-N 473.574 1.549 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2cccnc12 1539415936 IECNKNNOWQWRNX-FQEVSTJZSA-N 484.582 1.294 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccccc2F)CC1 1539469705 UWISAIAIKVBAQJ-MRXNPFEDSA-N 476.578 1.236 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2csc(C)n2)CC1 1539496106 BPJWCKKRBMAKLM-OAHLLOKOSA-N 483.689 1.342 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C2CCOCC2)C1 1539517204 JYFICPNMDSPOAT-RTBURBONSA-N 483.660 1.230 30 10 JDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1540853612 DJFCIBALSVRTLT-INIZCTEOSA-N 464.592 1.808 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1540874482 IESSOEMQCCVCLU-UHFFFAOYSA-N 482.614 1.902 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1540875074 ARCGKLLFBWQPJX-UZUQRXQVSA-N 457.531 1.552 30 10 JDEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1540913825 UVWNXWPRKXGJFA-SFHVURJKSA-N 483.598 1.545 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1541806066 CYDRINKRNALXOL-LIRRHRJNSA-N 453.952 1.798 30 10 JDEE Cc1ccoc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1542117818 ADHSLNHPRLUVJX-UHFFFAOYSA-N 463.542 1.889 30 10 JDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cccc(OCC(=O)N(C)C)c2)CCOC1 1547891756 DDPICZDPIKZGEZ-ZEQRLZLVSA-N 486.548 1.887 30 10 JDEE Cn1cc(CN2CCCN(c3nnc(-c4cccc(C#N)c4)n3CCCS(C)(=O)=O)CC2)cn1 1554337729 CUUIECHTXXRXJK-UHFFFAOYSA-N 482.614 1.697 30 10 JDEE COc1ccc(CCC(=O)N2CCCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)cc1 1559516086 DMTNNAZWRYKLPO-UHFFFAOYSA-N 456.568 1.903 30 10 JDEE C#CCNC(=O)CN1CCN(C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)CC1 1559864403 FEQMGJRJUGXJTC-QHCPKHFHSA-N 454.596 1.382 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1588024530 GKJOAMVIWDYFPD-INIZCTEOSA-N 462.601 1.262 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588025379 XWUIMUNWRWBECZ-PZJWPPBQSA-N 484.626 1.666 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1588065120 UWZHYRGESFQJNJ-OAQYLSRUSA-N 450.568 1.837 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@@H]2COCCO2)CC1 1588899164 LPCRGHHMFWSECS-HXUWFJFHSA-N 468.514 1.625 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCN2CCN(CC)CC2)CC1 1588899899 ZZNVVLVZVXVILN-UHFFFAOYSA-N 493.656 1.947 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccncc1Cl 1589216546 RAPOEXUNMJYCTM-YLJYHZDGSA-N 464.979 1.700 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1595490765 ZOQMUGWSSWTTPE-AWEZNQCLSA-N 485.408 1.362 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1595649600 RVCFXPACYDACPM-KSFYIVLOSA-N 490.586 1.532 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1595823371 NIRRUWXWOGEONN-HNNXBMFYSA-N 451.524 1.264 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)c2)CCO1 1596673877 GRTTUOYMPAXLFD-QFIPXVFZSA-N 478.557 1.436 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1610269900 HTBNRZAMYCHMTH-JTSKRJEESA-N 474.587 1.529 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2c(F)ccc(S(=O)(=O)CC3CC3)c2F)CC1 1615209889 WLZDQZGOMVUUJY-UHFFFAOYSA-N 453.511 1.046 30 10 JDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(C(=O)c3ccccn3)CC2)CC1 1616972112 BAEPSRDDLFYXPC-JOCHJYFZSA-N 450.518 1.388 30 10 JDEE C#CCn1ccc(CN(CC)C(=O)[C@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)n1 1618758057 AMIFYCHDXVFHKW-IFMALSPDSA-N 458.584 1.812 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)c1ccccc1 1689852440 FHJCTWHTWBARLY-SJORKVTESA-N 450.586 1.502 30 10 JDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1689924776 TWVKCNFLISAKRN-INIZCTEOSA-N 479.632 1.122 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689984399 OSAVKPRNIHHEOX-GOSISDBHSA-N 474.583 1.894 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1689984858 XBPLKUGRABCZEJ-GOSISDBHSA-N 489.598 1.504 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)COCCO1 1690037144 NQKUJIPFYOUHKK-QHCPKHFHSA-N 471.583 1.464 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ncccc1Cl 1690046300 AKDDWVJKEFWRFV-GOSISDBHSA-N 492.989 1.201 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1690134749 DKVNHDMMOAUPAE-CMOCDZPBSA-N 474.650 1.645 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](OC)c2ccccc2)CC1 1690136224 BSFWENBALFUTHR-YLJYHZDGSA-N 488.614 1.242 30 10 JDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1690178958 JAACOSSOLUHTGF-UHFFFAOYSA-N 467.643 1.765 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1690302912 OHMJCGXDFSXSPU-KRWDZBQOSA-N 460.560 1.155 30 10 JDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1690328227 HMKONYYCRSFFSE-OLZOCXBDSA-N 458.976 1.215 30 10 JDEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690435130 RZDIULORVXSMSS-SFHVURJKSA-N 452.559 1.627 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(c2ccnc(C)n2)CC1 1690673147 PLBHKFIQQLZIHH-UHFFFAOYSA-N 462.558 1.605 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@@]2(O)CCN(C)C2)c1 1705503878 HLEPCOZXLMWBCE-RPBOFIJWSA-N 482.585 1.053 30 10 JDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1705550218 VGACAFGXMMANDT-KRWDZBQOSA-N 462.514 1.123 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CC[C@@H](C(F)F)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705569271 AIAIAPXLVSHUSA-ROUUACIJSA-N 473.590 1.459 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1705610784 DEOSOOVPXLMLLM-QHCPKHFHSA-N 484.582 1.245 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1705643745 QWCLDLLWNYPJMG-ONTIZHBOSA-N 484.576 1.241 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@]2(O)CCN(C)C2)CC1 1705645224 OIEHCBDUPLERFY-QHCPKHFHSA-N 456.978 1.631 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(OCC)CCCC2)CC1 1705645299 PUUOWMHXVZZGDU-KRWDZBQOSA-N 480.635 1.203 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1705658192 HTVHUWXBMRVETJ-UHFFFAOYSA-N 479.610 1.945 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 1705731403 VFJQYNCGDPBJKA-LWYYNNOASA-N 466.652 1.792 30 10 JDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705738335 UEKOGRKVVASSNA-NRFANRHFSA-N 453.591 1.599 30 10 JDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705810671 DUUDAPAKYOBBER-GOSISDBHSA-N 452.563 1.634 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1705819896 WRKZHHRJAZMLJT-OAHLLOKOSA-N 479.525 1.925 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1705901530 OGNFWYUBTXYTQX-HOTGVXAUSA-N 461.567 1.367 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705909171 PLVGOUOBWWBTPU-SCTDSRPQSA-N 484.605 1.528 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1705929592 TXIYQWPVKSHIBD-IERDGZPVSA-N 466.535 1.327 30 10 JDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1705947318 HOTDHLXKJXPYII-FQEVSTJZSA-N 492.671 1.814 30 10 JDEE C[C@H]1CN(CCN(C)c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)C[C@@H](C)O1 1712850734 AEWAMUNIZRUFOY-HDICACEKSA-N 451.575 1.888 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1722366701 JGODHNCZLMOOSZ-MONBJTKQSA-N 476.574 1.846 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1722413008 HBHSEJOVLSYPLM-IAGOWNOFSA-N 458.592 1.140 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCCOC)CC1 1722506719 VRVIDLXIRXJQLB-UGKGYDQZSA-N 474.606 1.361 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1722700098 WLRMSUBKFHNLEB-ZJSXRUAMSA-N 493.656 1.858 30 10 JDEE CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)OC 1727251428 FEFRBOAAHMZZFY-RDJZCZTQSA-N 479.582 1.651 30 10 JDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccccn2)CC1 1728263863 FGWULFGDUWCZLA-UHFFFAOYSA-N 460.542 1.929 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1740581764 FJNLUMBYXBFKQU-FQEVSTJZSA-N 486.642 1.767 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1740615722 JVXAITCWZSNVDK-VQTJNVASSA-N 471.583 1.953 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1740623044 NGNXLAQVROEWNW-SFHVURJKSA-N 452.540 1.727 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1740626991 DMLJFNNUWBYNIZ-RTBURBONSA-N 457.556 1.780 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C(F)(F)C12CCC2 1740686835 XEBCIXGBVASJOF-JKSUJKDBSA-N 473.546 1.132 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1740708464 QOXMVJHLRNYHBL-NZQKXSOJSA-N 470.618 1.818 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)CC1 1740864393 MKECAOHZYWXTHX-IBGZPJMESA-N 454.641 1.745 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1cc[nH]n1 1740931369 KPIOITVPNPERDS-SFHVURJKSA-N 486.577 1.918 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1740951816 OKRQJSKVRHPWKM-ZWKOTPCHSA-N 485.976 1.411 30 10 JDEE CCn1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCN(c3ccccc3C#N)CC2)cn1 1746351840 DIHSONMQEMQKLJ-SFHVURJKSA-N 497.629 1.741 30 10 JDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1748191996 HXXVAAJLXQBKPL-UHFFFAOYSA-N 458.588 1.992 30 10 JDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1748714639 JVOISAYFUFFEDZ-QGZVFWFLSA-N 464.617 1.861 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1748732008 QCKPJTASWOXDKA-ZDUSSCGKSA-N 454.494 1.324 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1748810093 RXCVAHBXEMFPBZ-RXVVDRJESA-N 457.581 1.311 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748821133 MDWKANDLNTWBTA-IFMALSPDSA-N 482.610 1.696 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(C(C)(C)C)no2)CC1 1749008711 AKLNHMABCRLJJY-KRWDZBQOSA-N 453.547 1.529 30 10 JDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1749038480 KJGSFJYQKWJYCR-MSOLQXFVSA-N 455.650 1.994 30 10 JDEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@](C)(C(N)=O)C1 1749043869 LJAPTOLIUPUTGP-RUZDIDTESA-N 481.670 1.711 30 10 JDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749416110 YTFHPSLLEHTATO-KRWDZBQOSA-N 467.617 1.785 30 10 JDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1749429795 OWAUWFAJIGUKRZ-FQEVSTJZSA-N 457.623 1.966 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1749650184 MTPDXIVJLJXJHG-UHFFFAOYSA-N 482.564 1.836 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCS(=O)CC1 1749725634 TWECZMPHQXRRIX-UHFFFAOYSA-N 460.528 1.716 30 10 JDEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749751439 USHNPJCIHKXLMD-UHFFFAOYSA-N 455.588 1.530 30 10 JDEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@H]1C)N1CCOCC1 1750587139 GQNAUGZTKGLQSS-WIYYLYMNSA-N 451.575 1.840 30 10 JDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1)N(C)C 1751147948 AOHMMXPGAUKNDU-SFHVURJKSA-N 466.590 1.079 30 10 JDEE Cc1noc(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1751963311 HSAYUAVDUMASOM-HNNXBMFYSA-N 485.570 1.852 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C/C=C/CC)c1 1760129065 XIBKGBAIQDAHSH-AQKVLALTSA-N 486.598 1.633 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760180655 IWGIGHDTNRQNCF-OAHLLOKOSA-N 495.403 1.189 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC[C@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760181671 ZMNPSCAHRNBZMJ-HFMPRLQTSA-N 493.674 1.821 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCSCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760182796 MEPIIBXHDOFFSI-LJQANCHMSA-N 475.640 1.976 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CC(=O)Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1760183608 CDPWCYNAMNLCHT-GOSISDBHSA-N 470.530 1.688 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1NC(=O)CC1(C)C 1760241887 NJERYSXKFYKIGG-PKOBYXMFSA-N 473.574 1.874 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCCN2CCOCC2)CC1 1760255120 CIASDLKUCFPUHD-UHFFFAOYSA-N 453.547 1.721 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nnc(C)s2)CC1 1760265233 STAZZXIOMADQCJ-UHFFFAOYSA-N 465.543 1.099 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccc(C)n(C)c2=O)CC1 1760266836 ODYWEFFOSHJKML-UHFFFAOYSA-N 474.565 1.975 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1760267530 POZBJQNGAUPUTH-HXUWFJFHSA-N 455.584 1.878 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCCCC2=O)CC1 1760271495 ZPTUAFFKOUGLPT-UHFFFAOYSA-N 480.617 1.508 30 10 JDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1760346220 OKIVNGVOCXSFII-ZCNNSNEGSA-N 478.663 1.573 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(N(CC)CC)CC1 1760518563 XEVGSPAPMYAHNJ-UHFFFAOYSA-N 464.578 1.534 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(F)c2)C1 1760542889 LDNZCHJSXQYLJJ-PMACEKPBSA-N 479.578 1.774 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1760551205 XFJYGXZCQDVASR-HNNXBMFYSA-N 499.435 1.989 30 10 JDEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(O)c(O)c1)c1ccc([N+](=O)[O-])cc1 1862750806 FIQCCQJJZUYQBF-FQEVSTJZSA-N 469.450 1.917 30 10 JDEE COc1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3ccc4c(c3)C(=O)N(C)C4=O)CC2=O)cc1 1870159074 DBTZCXPMYBGKCL-ZDUSSCGKSA-N 485.460 1.365 30 10 JDEE O=c1c(Br)c(N/N=C/c2ccccc2S(=O)(=O)O)cnn1[C@H]1CCS(=O)(=O)C1 1873527313 TZACRPMRQHIMKI-MIUNIBSDSA-N 491.345 1.058 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255636337 SJYMFNKBDKIAKU-OCCSQVGLSA-N 453.370 1.712 30 10 JDEE C=C(CS(=O)(=O)NC[C@@H]1C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255951295 CFBWVLZBPXUYAC-JYJNAYRXSA-N 460.402 1.758 30 10 JDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(CO)CN(C(=O)OC(C)(C)C)C1 2267006195 RQKSYANNIQBXLN-UHFFFAOYSA-N 450.341 1.846 30 10 JDEE COc1cc(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2267142554 WDSWGPDWYMICNS-OAHLLOKOSA-N 450.341 1.610 30 10 JDEE CC1(C)OB(c2ccccc2S(=O)(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2267372915 WBDYDDRMEXNLHL-SFHVURJKSA-N 462.299 1.817 30 10 JDEE Cc1nc(S(=O)(=O)N2CCCCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2267467921 GMVDRBAZRVQQFN-UHFFFAOYSA-N 470.401 1.964 30 10 JDEE CO[C@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)N(C(=O)OC(C)(C)C)C1 2267520522 NQQPVEAMABUMFA-KBPBESRZSA-N 450.345 1.463 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267703478 WWUUKEQDCGOLCH-WMLDXEAASA-N 467.397 1.962 30 10 JDEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]2COC[C@@H]21 2281930745 PDFHSSSDPGTDLW-YCPHGPKFSA-N 462.356 1.463 30 10 JDEE CCn1cc(C(=O)N[C@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282062878 FCGHGRAXJFCWDL-HOCLYGCPSA-N 464.372 1.614 30 10 JDEE CC(C)(C)OC(=O)NCC12CC(NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)(CO1)C2 2282180200 QWPXRKVBJVVKEW-UHFFFAOYSA-N 459.352 1.937 30 10 JDEE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282318872 LZPDARDRKOLSOY-CQSZACIVSA-N 485.416 1.134 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NS(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2282327681 LUMMMBJWPLUQSU-HZPDHXFCSA-N 486.371 1.383 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2282336278 AUCSDCRLSPAQMN-OALUTQOASA-N 472.420 1.614 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C2)n1 2282553373 XBGGRZBQEGPFNT-HNNXBMFYSA-N 464.372 1.163 30 10 JDEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282600538 VBLCDCDUZGAWBA-HNNXBMFYSA-N 459.356 1.613 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2282706147 IILYFOGCEOYMFE-CVEARBPZSA-N 460.340 1.236 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2282851063 WYAWVQUIZQLJOZ-OAHLLOKOSA-N 484.428 1.643 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCOC[C@H]1CNC(=O)OC(C)(C)C 2337192748 PFTPWQOMYLWEIG-CQSZACIVSA-N 450.345 1.085 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)n1C 2362490754 WQLSMYBKVWRMMT-HUUCEWRRSA-N 464.372 1.128 30 10 JDEE COc1ccc(S(=O)(=O)/N=C2\C=C3N(CCO)CCO[C@]3(O)c3ccccc32)cc1[N+](=O)[O-] 102612420 MHANBCBILWSWAU-KXZIGNATSA-N 475.479 1.149 30 10 JDEE COCCc1ccc(OC[C@H](O)COC[C@H](O)COS(=O)(=O)c2ccc(C)cc2)cc1 504430114 HNUOERLHCZGCPA-UXHICEINSA-N 454.541 1.707 30 10 JDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc2c(c1)OCCO2 729668781 CXKQOIOQJGCHLY-UHFFFAOYSA-N 487.541 1.346 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCN(CC)CC3)nc2)ccc1F 918589341 OJKMZWGRKLVEOB-UHFFFAOYSA-N 461.563 1.757 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(n4cnc(C(=O)OCC)c4N)CC3)cc2C1=O 1154205297 GAIVZHGLTNQZDX-UHFFFAOYSA-N 451.483 1.901 30 10 JDEE Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)Nn1c(C)c(Br)c(C)c(C#N)c1=O 1161250292 HATOAYLVWCPKRK-UHFFFAOYSA-N 457.306 1.635 30 10 JDEE C/C(=C\C(=O)N1CCN(c2ncccc2C#N)CC1)C(=O)N1CCN(c2ncccc2C#N)CC1 1263714717 VQBOZJYGRJMKOG-KNTRCKAVSA-N 470.537 1.164 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2([S@](C)=O)CCC2)c1 1286308324 HLROISHPXOJBEQ-UMSFTDKQSA-N 482.610 1.872 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1C[C@H](C)CN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1286395147 QXFOHUZRQSJILD-RTWAWAEBSA-N 464.680 1.377 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1286484420 NSXMCGPRXLOBII-IBGZPJMESA-N 457.600 1.609 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1286490977 ZHSIWUIJNHUYEV-UHFFFAOYSA-N 452.534 1.619 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1286493030 SJOPZBXYRGFIRN-QGZVFWFLSA-N 462.595 1.941 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCNC(=O)C1 1286549938 BKSZGKUTBSYHMJ-QRWLVFNGSA-N 457.531 1.888 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN2C(=O)CC[C@@H]2C1 1286779224 FYUXYPHRDRRANM-CQSZACIVSA-N 477.338 1.960 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286781447 ZDGMNYHZGTYWFJ-PKOBYXMFSA-N 490.630 1.807 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1286791841 DZVLYPLNJJMKHS-FQEVSTJZSA-N 451.531 1.570 30 10 JDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286796663 UYECCKLGOVHECV-IEBWSBKVSA-N 452.515 1.652 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1286820812 SGBZUTGMMRSDPF-NHCUHLMSSA-N 480.679 1.378 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCn4c(nnc4C(F)F)C3)CC2)cc1 1297239722 GXAKIQLFXTVICR-UHFFFAOYSA-N 450.471 1.530 30 10 JDEE CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CCCO)CC2)C1 1298881127 CKHSDFZWTCNXSS-XMMPIXPASA-N 454.575 1.784 30 10 JDEE C#CCCCn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300424831 MTMACXRCZWIENW-MAEOIBBWSA-N 480.635 1.980 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300492267 MHEARCMZJTVWRV-SPEDKVCISA-N 463.604 1.187 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1COCCO1 1300671215 FDHJTBVNLOHOAW-ROUUACIJSA-N 465.551 1.088 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCNC(=O)C2CC2)CC1 1300710893 PHVPAXIBGKWZDD-IBGZPJMESA-N 471.606 1.632 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)c2ccccc2)CC1 1300726794 RLZZNAVZUBUETH-UHFFFAOYSA-N 492.605 1.704 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCOC 1300885321 OVNVKXFULPRFLR-KSZLIROESA-N 457.597 1.065 30 10 JDEE C=C(Cl)Cn1c(N2CCN([C@H](C)C(=O)NC3CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301061824 YQQYDZILLNXBRO-VGSWGCGISA-N 467.014 1.860 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CC(N)=O)C1 1301520690 LWJWIQBPTMIZCA-SJORKVTESA-N 475.594 1.744 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1301586998 WSMDUSPTUJFOAT-DLBZAZTESA-N 463.560 1.911 30 10 JDEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1 1314873169 AREHYSXNDDDAOJ-UHFFFAOYSA-N 488.614 1.322 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCc1n[nH]c(C)n1 1358976542 IBOVROUXXOMKAM-UHFFFAOYSA-N 455.526 1.807 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncnn1-c1ccccc1 1359018332 MEYICRQBYDBRIE-UHFFFAOYSA-N 457.498 1.640 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ncnn2-c2ccccc2)CC1 1359040338 PYRTVJVRAFUUCO-UHFFFAOYSA-N 475.557 1.011 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(COC)CCOCC2)CC1 1359041799 IVZOHXOXHZKCDE-RUZDIDTESA-N 489.617 1.339 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCN2CCN(C)C(C)(C)C2)CC1 1359044852 PZEVRZHYAZUPNB-UHFFFAOYSA-N 455.651 1.928 30 10 JDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H](C)C(=O)NC 1359054976 OSUAFOWPRFFQDH-OAHLLOKOSA-N 463.633 1.423 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1359203203 KKEMRQARGKVDAD-GOSISDBHSA-N 491.618 1.594 30 10 JDEE C=CCCOCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359229897 YHYHRAUEZAVYTF-FQEVSTJZSA-N 496.612 1.894 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1359292835 YWWVGOWGOGYOGL-KRWDZBQOSA-N 495.005 1.177 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC(NC(=O)COC)CC1 1359296277 DBRVVZLIYQDBKX-UHFFFAOYSA-N 491.390 1.741 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1359297509 SSCGYFQAZNCZNY-SFHVURJKSA-N 460.604 1.664 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2CCOC[C@@H]2C1 1359300966 NVDWWGCUCMAMTG-IBGZPJMESA-N 489.621 1.216 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(C)CN(C)C2=O)c1 1507548985 DIXQKGMRLHKUFN-UIOOFZCWSA-N 494.596 1.853 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(N(CC)CC)nc1)[C@@H]1CCS(=O)(=O)C1 1507638895 HQPGUSHIPDSGSY-HXUWFJFHSA-N 499.641 1.317 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1507640593 UFABAAHTQOCJQS-IBGZPJMESA-N 469.571 1.474 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1507718030 LDOFFGOPVGKYMB-RTBURBONSA-N 457.600 1.919 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@](C)(O)c2ccsc2)CC1 1507735776 GXJBJFSVLHNFHG-DNQXCXABSA-N 487.626 1.865 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCC(=O)NCc2ccccc2)CC1 1507737945 DKTSJJAACMGFEX-QFIPXVFZSA-N 478.597 1.844 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCN2CCCO[C@@H](C)C2)CC1 1507738016 FRUDHZRHZONHTK-RBBKRZOGSA-N 472.634 1.986 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1507832169 QNWODCMCJAQTCM-RXVVDRJESA-N 465.551 1.424 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1507954879 RELBKNWDVRSAJW-IBGZPJMESA-N 492.577 1.570 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2cccnc12 1508040537 ZBDHJDQTCMZXPD-FQEVSTJZSA-N 486.598 1.846 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1508114838 MOXAFXFBYZMBBS-NNMXDRDESA-N 483.635 1.382 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1508135842 MXDGDTGOVYZWIU-QGZVFWFLSA-N 475.571 1.579 30 10 JDEE CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1516946702 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C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](N2CCCC2=O)C1 1540864183 RZNCIKAGGVRCOS-INIZCTEOSA-N 490.406 1.940 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCc2ccn(C)n2)C1 1540886035 UKNMDERSOSWUCN-HXUWFJFHSA-N 485.614 1.953 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1540900855 KETPHICPQXLELZ-MRXNPFEDSA-N 461.548 1.958 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1540901718 NASUYTTYDRSTJR-MRXNPFEDSA-N 492.627 1.880 30 10 JDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1542283454 GIAVPSJFVXAQDL-DOTOQJQBSA-N 450.561 1.988 30 10 JDEE CCN(CC)C(=O)CCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1547410350 ABIUABHXOOTTDH-RBUKOAKNSA-N 481.605 1.807 30 10 JDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)OC)CC1 1552408534 CRTLMTDYMJQASG-UHFFFAOYSA-N 476.559 1.057 30 10 JDEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1555993595 AEAXHENOOHTYLK-FUHWJXTLSA-N 468.455 2.000 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2CCC(=O)NCCC)c1 1587689917 SRIKYJNCSZPPKH-UHFFFAOYSA-N 491.552 1.978 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(S(C)(=O)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1588046144 YGEBQKBTCXJNJB-KRWDZBQOSA-N 492.623 1.548 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588258839 JUSFHZHEMLKGQF-CMOCDZPBSA-N 489.642 1.669 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC(=O)N(C)C)CC1 1588908154 LZWJGXKHMLFTEG-UHFFFAOYSA-N 482.585 1.795 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(F)cc(OC)c2)CC1 1588924014 UKUGUCHYBWRWLS-IBGZPJMESA-N 454.506 1.391 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1588929504 BLIRLDFPQKKHEH-FQEVSTJZSA-N 499.637 1.422 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(=O)NCC(F)F)CC1 1588961800 MPNSNPJAARKZQM-UHFFFAOYSA-N 488.539 1.821 30 10 JDEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1589097466 PWRWVXKYYGTYAV-UHFFFAOYSA-N 452.584 1.950 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(C)(=O)=O)CC1 1589403686 BHILMTIVWMBWKL-LBPRGKRZSA-N 467.411 1.102 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)cs2)CC1 1589493616 IGUPSJMLMMAAEC-KSZLIROESA-N 495.675 1.961 30 10 JDEE C=CCCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C(=O)NC)C1 1594812449 GAZPUXFTZZYSGB-OALUTQOASA-N 492.621 1.937 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1594812474 GPUTYNUOJFMQEN-IAGOWNOFSA-N 451.593 1.268 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C=C)CC1 1595497178 SGGVUMGVRSTTOR-UHFFFAOYSA-N 458.588 1.900 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1595811780 AJGUSGVJOPZGFA-WZONZLPQSA-N 476.599 1.863 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1595811886 FRXOEPADMVOISJ-UHFFFAOYSA-N 494.643 1.105 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1c[nH]c2cc(F)ccc12 1611710926 HLLSGMIPKUTIKE-CJNGLKHVSA-N 461.523 1.480 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N1CCOCC1 1617868474 CCGDUOPNQBUTKV-UHFFFAOYSA-N 474.525 1.682 30 10 JDEE C=CCOC[C@@H](NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl)C(=O)OC 1635158660 HATHRPSHORINAS-LLVKDONJSA-N 455.714 1.224 30 10 JDEE COC(=O)[C@@H](O)C1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 1653830003 FKDDMLXCDJDISY-VGSWGCGISA-N 458.559 1.602 30 10 JDEE C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 1666118146 DWHQHKWBFSFKMU-GFCCVEGCSA-N 455.389 1.636 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2COC)c1 1672097889 KHYXDXPGYZKKTH-QGZVFWFLSA-N 453.561 1.859 30 10 JDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1689939818 DQKLVVIKCBGGDD-KRWDZBQOSA-N 464.530 1.811 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689995967 BPIQZEMZSXVYON-QGZVFWFLSA-N 478.546 1.164 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1690142610 RKJWSEUOPXIOQJ-UHFFFAOYSA-N 492.550 1.919 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1690142875 WKTVTXWQBVXULX-WOJBJXKFSA-N 465.602 1.805 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)[C@@H]1CC 1690250263 FISPMBFTVXUEDD-GJYPPUQNSA-N 458.588 1.966 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1690470837 MMHWRBMSODDBRX-HUUCEWRRSA-N 452.585 1.429 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2N(C)C)C1 1690508059 AKLTUZCUUAQTNT-SFHVURJKSA-N 460.604 1.797 30 10 JDEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1690509022 UZRWWLBIEVMGGL-KOSHJBKYSA-N 490.605 1.896 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690665764 OSLXEXBZUGRRDZ-AWEZNQCLSA-N 498.403 1.642 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1690673776 DATHUVZHHQPMQH-UHFFFAOYSA-N 465.583 1.898 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1690723720 ZFPCYJGMNYFFFI-NVXWUHKLSA-N 478.550 1.412 30 10 JDEE CC(C)(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1691026442 DGEUTEWLQRJKHW-HSZRJFAPSA-N 486.598 1.061 30 10 JDEE CC(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1692425299 GHZTXZOTEVDJHJ-UHFFFAOYSA-N 453.547 1.959 30 10 JDEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2ncnn2CC(F)F)n[nH]1 1693363984 CBTOLLWFHQNSSY-UHFFFAOYSA-N 453.461 1.979 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2nccn2C(F)F)c1 1705506076 ZKLJICHAQNLNNU-MRXNPFEDSA-N 468.468 1.925 30 10 JDEE C#CCCCCn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705521534 DMCBTUOYYHYPCW-CYFREDJKSA-N 472.590 1.889 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1705526454 KCTHYKSWCMYVLR-WZONZLPQSA-N 473.599 1.993 30 10 JDEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705543906 XCJVRPKPTQOBFE-MRXNPFEDSA-N 487.358 1.180 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1705562517 DSRACERFXQGPFA-NRFANRHFSA-N 450.568 1.705 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCc1ccco1 1705598240 FINPDLASJGRGBF-UHFFFAOYSA-N 472.553 1.824 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CN(C)C)c1 1705674758 QFPRBHACHAGFIQ-XUZZJYLKSA-N 486.642 1.713 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1705685463 AKLVQSSVJTYFIK-KRWDZBQOSA-N 488.390 1.899 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1)C(C)C 1705869193 OUPPKYLXAJIHPS-YSTOQKLRSA-N 493.630 1.993 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1705934445 MVDHDRUXIPWFQC-TZIWHRDSSA-N 474.631 1.796 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1705934551 PIKKEOLTRVXSJK-NOVUIFNWSA-N 465.601 1.204 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@H]2C1 1705935282 MDGSQTKUEZIBOY-QGZVFWFLSA-N 461.544 1.119 30 10 JDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N1CCOCC1 1710856753 DEPNHRIZZFQNIV-MSOLQXFVSA-N 460.604 1.797 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1722279523 HLQHEMWHELYEMU-GWJPWWOOSA-N 473.599 1.991 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1722360557 VAXWSCUUKZUXHR-IBGZPJMESA-N 493.655 1.316 30 10 JDEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1722363060 YTHQQRXJKHOQSB-MHECFPHRSA-N 485.610 1.851 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)N2CCOCC2)CC1 1722442824 DKHIZOILVARNJA-QGZVFWFLSA-N 471.993 1.680 30 10 JDEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722458287 YYEGVJUAYPCAEW-SFHVURJKSA-N 495.609 1.383 30 10 JDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1722627275 JVOJXIFASCRQIP-SFTDATJTSA-N 460.623 1.898 30 10 JDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1722669340 RIHAKAPSDPCZOW-UHFFFAOYSA-N 476.585 1.535 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)(C)C)CC1 1722693434 NQFDUYXFVYXUJX-UHFFFAOYSA-N 460.604 1.571 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ccc(F)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1722703569 BWPZFZKWACUSKM-HSZRJFAPSA-N 458.538 1.698 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](C(F)(F)F)C1 1722726214 YMYIMYXXOWXUKG-AWEZNQCLSA-N 467.514 1.565 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCN(C)C(C)(C)C1 1723928349 GWLKLQIZDKZBAI-KRWDZBQOSA-N 466.656 1.044 30 10 JDEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](COC)C2)CC1 1728602024 AFJWARRRSGSWPZ-SIKLNZKXSA-N 453.591 1.694 30 10 JDEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C#N)CC1 1729296989 APSSCMISDYUABN-LJQANCHMSA-N 479.589 1.608 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1740622567 DSHCXTCOMWJZFM-UWVAXJGDSA-N 487.582 1.332 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1740625661 HGGMHJIBIXXXKR-FPOVZHCZSA-N 471.583 1.806 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C2OCCO2)c1 1740685503 HFPXNLHHMJLJNR-IBGZPJMESA-N 460.556 1.360 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1740709880 NEPVMSVAOKFVPZ-QGZVFWFLSA-N 489.627 1.296 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCNS(C)(=O)=O 1740755749 LQPJVLJDBWQYLX-WBVHZDCISA-N 454.984 1.960 30 10 JDEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1740811748 AFHRDNORTCGVOG-UHFFFAOYSA-N 486.964 1.097 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740953439 GLSQSQPAMUNLEA-HXUWFJFHSA-N 497.556 1.031 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1740953628 MLINCUVQPLGBKH-UHFFFAOYSA-N 485.589 1.848 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740963356 ILRFEEZCCYHEMX-FQEVSTJZSA-N 456.547 1.117 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740986799 HMOGRVUJHFRGND-UHFFFAOYSA-N 488.035 1.671 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1740990075 HVFYGCFZAXOJHU-UHFFFAOYSA-N 468.587 1.674 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(NC(=O)C(C)C)CC1 1740990626 XUNQGPUGQNOGQP-UHFFFAOYSA-N 460.604 1.990 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1740993624 GANNOOIJSNKYBA-JPYJTQIMSA-N 492.598 1.851 30 10 JDEE Cc1ccn2cc(Cn3c([C@H]4CN(S(C)(=O)=O)CCO4)nnc3N(C)[C@@H](C)CC#N)nc2c1 1742148574 IFEJVQQTMQJSPE-FUHWJXTLSA-N 472.575 1.354 30 10 JDEE CCOc1ccccc1OCc1nnc(N(C)[C@@H](C)CC#N)n1C[C@@]1(O)CCS(=O)(=O)C1 1746877192 DFNLTEUJYCIYHS-KKSFZXQISA-N 463.560 1.544 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N2CCNC2=O)CC1 1748752298 UVRRZRQBHMWHSH-IBGZPJMESA-N 487.605 1.994 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1748817268 HQVOVDKEPHNJAP-HKBOAZHASA-N 458.584 1.666 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CC[C@@H](C(F)F)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748818124 VYEOBUKMQIPTGH-ROUUACIJSA-N 487.617 1.849 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1748820961 KFIISSDZFBLUFY-QGZVFWFLSA-N 493.536 1.677 30 10 JDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCS(=O)(=O)CC2CC2)CC1 1748993084 POXOWYRFANOCTJ-UHFFFAOYSA-N 463.554 1.727 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(OC)c2OC)CC1 1749001306 PPQMZLGPBDHDTC-UHFFFAOYSA-N 468.558 1.448 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(OC)cc2)CC1 1749004649 LNZZECYRNOREQY-KRWDZBQOSA-N 488.614 1.105 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCCCC2)CC1 1749015763 MGWCNCSRIPJXBY-UHFFFAOYSA-N 466.634 1.982 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(CC)CCS(C)(=O)=O 1749118953 LMLMYWRFWJWPFH-SJLPKXTDSA-N 462.576 1.778 30 10 JDEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749209116 NTYROLXNTXSZFO-TZIWHRDSSA-N 460.623 1.754 30 10 JDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NCC)CC1)c1ccccc1 1749242232 GJPHETLMUQRAJI-QGZVFWFLSA-N 461.592 1.453 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749450312 BUBAFZPPOUYCDQ-FPOVZHCZSA-N 473.622 1.096 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccccc1C 1749669811 OCJMQXMEZYUCDD-IEBWSBKVSA-N 476.603 1.419 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2ccon2)cc1 1749686207 QGILBRCCPWUOHJ-FQEVSTJZSA-N 488.570 1.849 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1749736147 FIIDXKZTHQNMOJ-HXUWFJFHSA-N 487.630 1.447 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1760131405 RNKYRTGOSGJDIK-HUUCEWRRSA-N 450.531 1.765 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1760181302 SBZDFCYFDZDJPH-GBXCKJPGSA-N 493.674 1.679 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1760181481 VYQOJPUAYFSWGN-LPHOPBHVSA-N 494.536 1.872 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C)N1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1760183267 PSDQBONSQLEIEN-OALUTQOASA-N 450.653 1.228 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1760184738 KYMRAWKQMUVHAD-SFNQZPIRSA-N 450.586 1.349 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N1CCN(CC)CC1 1760216773 AOPVNXUUCHDKEK-NRFANRHFSA-N 496.685 1.727 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(=O)NCC(F)F)CC1 1760266904 ATYWFOQHGWSAEL-UHFFFAOYSA-N 464.904 1.946 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCC)CC1 1760270525 YUJDJQDFSIIGFJ-UHFFFAOYSA-N 466.590 1.454 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1760351797 MEXUHFZVYNAJPJ-GOSISDBHSA-N 461.588 1.904 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](C(F)(F)F)C1 1760523243 QZCRTTMHPUDGSA-AWEZNQCLSA-N 487.508 1.308 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1760555432 FUWPJKWONYXRJZ-OALUTQOASA-N 453.609 1.422 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1760555924 QRRQAIFHBZHDBJ-ZWKOTPCHSA-N 461.592 1.278 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H](C)N(C)C)C[C@@H]2C)CC1 1760623885 WRTMMFIKQOCTBU-SFYKDHMMSA-N 464.618 1.756 30 10 JDEE CC(C)n1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCNS(C)(=O)=O)c2ccccc2c1=O 1760690593 DPSSMYUIRPCKCT-HNNXBMFYSA-N 472.575 1.381 30 10 JDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1760853986 BMQXOOJWIFAUQJ-FQEVSTJZSA-N 465.558 1.417 30 10 JDEE CC(C)CN1CCO[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)C1 1761129606 HIAGMEHWDSUTJF-OAQYLSRUSA-N 495.632 1.366 30 10 JDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NC(C)C)cc1Br 1768530155 AGIHMFHIWOLNIA-AWEZNQCLSA-N 463.336 1.970 30 10 JDEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1770330325 GVMACVIXYPNEQE-UHFFFAOYSA-N 471.587 1.636 30 10 JDEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN2CCC(N(C)C)CC2)cc1=O 1870560402 UOJXWFBBTDZCIP-UHFFFAOYSA-N 458.584 1.082 30 10 JDEE CC(C)N1C(=O)CS[C@H](C(=O)NC2CCN(S(C)(=O)=O)CC2)[C@@H]1c1ccc(C#N)cc1 1892311223 HZWDYOAKXCZGIY-PMACEKPBSA-N 464.613 1.492 30 10 JDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)[C@@H]1c1ccc(C#N)cc1 1892336770 GWOBZDBKFINULK-SFTDATJTSA-N 476.624 1.588 30 10 JDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2255796169 MPNQVQBUETYFLQ-MRXNPFEDSA-N 468.328 1.879 30 10 JDEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H](CO)NC(=O)OC(C)(C)C 2256614412 MPTRDXDGMXLETP-OCCSQVGLSA-N 455.386 1.847 30 10 JDEE Cn1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)nc1B1OC(C)(C)C(C)(C)O1 2267187613 AMQVJHYJEIUUQT-GFCCVEGCSA-N 462.278 1.905 30 10 JDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(CNC(=O)C(F)(F)F)C3)c(Cl)c2)OC1(C)C 2267473319 CXEJOVFQWGABLF-UHFFFAOYSA-N 482.717 1.938 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2267713305 NULTYPZQTJCKHD-KBPBESRZSA-N 468.385 1.102 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2268710018 GHDBVVIDDPFNPH-HNNXBMFYSA-N 451.304 1.639 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2282302970 PQZNBKQQQCWMLA-STQMWFEESA-N 485.416 1.084 30 10 JDEE Cc1nc(S(=O)(=O)NCCN(C(=O)OC(C)(C)C)C(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282507070 BJTCMFZFAITNKO-UHFFFAOYSA-N 486.444 1.952 30 10 JDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C)C[C@@H]1CNC(=O)C(F)(F)F 2282577309 CRSOVYYPBKFVFR-ZDUSSCGKSA-N 475.342 1.790 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2282586296 WXDZUCMWYDPZTH-JSGCOSHPSA-N 464.328 1.291 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCC3(CN(C(=O)OC(C)(C)C)C3)C2)n1 2282612089 QXOJFAXQSFTUTL-UHFFFAOYSA-N 461.372 1.587 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 2282658090 SVEIQYTXJOCWLD-CQSZACIVSA-N 461.372 1.776 30 10 JDEE C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282679557 BEBRDABKWPCUKP-QLFBSQMISA-N 461.372 1.442 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1CN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CCO1 2282864033 YKIAAVPHWFNJOC-INIZCTEOSA-N 482.408 1.900 30 10 JDEE C[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@H]1CCCN1C(=O)OC(C)(C)C 2286862305 YAWFAODOFOVNLI-UONOGXRCSA-N 485.416 1.181 30 10 JDEE COc1ccc(OC)c(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NCc2ccco2)c1 2330749880 WTWWQWHCLOKOKH-UHFFFAOYSA-N 472.527 1.815 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2345742021 BQBOUIXIKDXQQX-UXLLHSPISA-N 453.320 1.273 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2COCCN2C(=O)OC(C)(C)C)n1C 2362331194 GISMDZMXICTFEV-OAHLLOKOSA-N 464.372 1.393 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H](CC(N)=O)C1 2369381174 OILGPXHNBLIUCG-CQSZACIVSA-N 479.408 1.984 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)c3ccc(CCNS(C)(=O)=O)cc3)cc2C1=O 16115663 DCWXHHLBEIWSOM-UHFFFAOYSA-N 470.503 1.600 30 10 JDEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3OC)n2N)cc1 20805942 SDVSSSCNOWYNFN-SSDVNMTOSA-N 455.500 1.964 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)NC[C@@H]3COc4ccccc4O3)cc2C1=O 22067401 GFUNMARHEPXSEW-GOEBONIOSA-N 450.447 1.970 30 10 JDEE C=CCn1c(CN(CCN2CCOCC2)C(=O)NCC)cnc1S(=O)(=O)Cc1ccccc1 36031868 LGESYXKXHDPMND-UHFFFAOYSA-N 475.615 1.907 30 10 JDEE COCCCn1c(=O)/c(=C\c2ccccc2Br)s/c1=C(\C#N)C(=O)N1CCCC1 105754117 MGGZCEMZBMVAHD-LRRNRTSJSA-N 476.396 1.834 30 10 JDEE C[C@@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1c(O)cc3c(c1C2=O)[C@H]1C[C@H](N(C)C)[C@@H](O)[C@@]3(C)O1 257460416 JZGRDBGLULKCDD-GDEZKPAMSA-N 455.463 1.152 30 10 JDEE biogenic CC1(C)OB(c2cnc(CNS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)s2)OC1(C)C 714638847 UTOYCJKHJFZBSQ-UHFFFAOYSA-N 477.373 1.158 30 10 JDEE Cc1ccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3cnn4ccccc34)c2=O)cc1 729668324 GIUNOLIYPIWGHV-UHFFFAOYSA-N 455.543 1.981 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCn3ncc(C(=O)NC(C)C)c3C2)cc1 1157375402 OLFSMQMNVJMNFR-MRXNPFEDSA-N 459.572 1.478 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(CCOc3cccc(OC)c3)CC2)c1 1211132017 DQOMRGBKLQTZFH-UHFFFAOYSA-N 459.568 1.996 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(OC)cc2OC2CCCC2)CC1 1222874515 HXLHQQBKAHWGGC-UHFFFAOYSA-N 450.561 1.311 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1286389394 JFWNOHJUCBRNLS-KRWDZBQOSA-N 468.539 1.427 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1286394131 UUPYGUVKYCOGRL-FGZHOGPDSA-N 499.637 1.785 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCc2ccccc2C1 1286397930 RICQGFMVHMEKNM-RTBURBONSA-N 454.600 1.408 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CN(Cc2ccccc2)CCO1 1286415094 JLNMGTJOIJTXAV-VXNXHJTFSA-N 463.582 1.976 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(COC)CCOCC2)CC1 1286486044 GDWARGGEZICTAQ-UHFFFAOYSA-N 495.584 1.334 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Nc2cccnn2)CC1 1286497046 ZFQMRVAKTGHSQU-OAHLLOKOSA-N 464.621 1.126 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1286712235 UTCYZGUSHWPAKF-BZSNNMDCSA-N 457.597 1.065 30 10 JDEE C=CCSCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1286836118 HTHIAISJNGJNIJ-JTSKRJEESA-N 478.619 1.711 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](c1c(F)cccc1F)N(C)C 1288825085 APZCZZCINUQREH-OWZDWXTDSA-N 485.536 1.911 30 10 JDEE COC(=O)N1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 1299422331 FSNSYRZDJZGBPT-IBGZPJMESA-N 472.571 1.918 30 10 JDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1300409201 QHMFXHKMHMXVIQ-GOSISDBHSA-N 460.535 1.293 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1300479888 UIUPTORNBWGREO-DLBZAZTESA-N 463.629 1.983 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300497953 FJWVZFAOPCMTNS-GHTZIAJQSA-N 471.627 1.987 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCNC(=O)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1300502084 QUGJFJXXCMIPQP-JOCHJYFZSA-N 492.605 1.629 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1300504388 MXDZYJHMDDIYAV-JKSUJKDBSA-N 463.585 1.075 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1300510872 AKTMSLIHCSBZOA-ZPHPHTNESA-N 468.315 1.635 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(NC(C)=O)cc1 1300556183 DOHFXWZVMMQWBL-KRWDZBQOSA-N 456.572 1.552 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F 1300648206 AOEHIOVWDGMIBB-OAHLLOKOSA-N 487.479 1.638 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cn(CCCC)nc2C)CC1 1300699697 GHSKYCSCVQPQON-IBGZPJMESA-N 459.620 1.289 30 10 JDEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1301445876 QWQXLQXUGDONJL-UHFFFAOYSA-N 484.601 1.909 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(Cl)ccc2C1 1301501308 UYQCRXYPENCEGS-GOSISDBHSA-N 495.005 1.129 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1301507029 UHAOPDNXOWFRGZ-UHFFFAOYSA-N 461.526 1.234 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2Cl)CC1 1301568659 WIPDEVMZODLTED-UHFFFAOYSA-N 481.022 1.997 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1301596816 ZNHUAXUDTHNCOP-GVDBMIGSSA-N 474.649 1.421 30 10 JDEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N(C)C)CC1 1301611151 HLULGQLKSBBQJZ-FQEVSTJZSA-N 472.615 1.920 30 10 JDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1314964592 FZXZMAHHXRGFGR-HOYKHHGWSA-N 465.558 1.274 30 10 JDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(CS(C)(=O)=O)c1 1358946198 MPALYSVEXFQCPX-UHFFFAOYSA-N 486.623 1.901 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358965528 WVRCYWRGNITVRC-VQTJNVASSA-N 468.583 1.787 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N2CCOCC2)CCCCC1 1359010677 WIKMVOZAIFPXHA-FQEVSTJZSA-N 494.662 1.106 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCNS(C)(=O)=O 1359065613 VQZDANBJHSAJAN-OAQYLSRUSA-N 493.659 1.478 30 10 JDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1359287664 PPXUPPJGSKRAKH-UHFFFAOYSA-N 467.622 1.629 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1 1359306330 CPVUJTWRYHPFAQ-UHFFFAOYSA-N 497.600 1.203 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1359332848 IIWYKYGICGEAGG-NHCUHLMSSA-N 494.706 1.704 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)N(CC)C[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1359335199 DBWZBNVJWXMLGO-WFXMLNOXSA-N 455.625 1.450 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccccc2S(=O)(=O)N(C)C)s1 1440793821 YWNKWHDFDFVJIS-UHFFFAOYSA-N 457.599 1.322 30 10 JDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CN(CCC#N)CC(C)C)CC2)c1 1473178266 AKHXUULWAOQFGE-UHFFFAOYSA-N 452.577 1.408 30 10 JDEE CCCN1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC1 1500968497 FISVYPBNZSIOQY-UHFFFAOYSA-N 451.575 1.986 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1507572399 IKADYSZBDHYNNF-SFTDATJTSA-N 492.628 1.965 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cnn(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 1507632259 KGZDGWWUZVTMAR-OALUTQOASA-N 473.603 1.065 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1c(C)nc2ccccc21 1507659856 GUWSPXIGFPIAIF-QGZVFWFLSA-N 453.572 1.710 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@](=O)CC 1507701384 FKERSZKVPYXONH-PSTIOWGYSA-N 497.618 1.159 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCN(C(C)=O)CC1 1507703573 BQPHQTZPWNTYCB-UHFFFAOYSA-N 478.395 1.286 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccco2)N2CCCC2)CC1 1507734079 QNAHULAKDRIUHC-FQEVSTJZSA-N 481.601 1.812 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1508090312 MGLVXSXTNYMUQW-HXUWFJFHSA-N 468.558 1.933 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1508133969 AFKGUTAQRIPHGX-HXUWFJFHSA-N 495.671 1.893 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1snnc1C 1519150965 GXQLHJVCPAXENQ-KRWDZBQOSA-N 452.544 1.962 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1538982289 CWRBQMJWMIZONS-OOHXQLJPSA-N 450.499 1.947 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1539088987 DASJUSJXJVWNDA-UHFFFAOYSA-N 450.547 1.083 30 10 JDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1539132658 QBNRNCIPYODQLX-PZJWPPBQSA-N 455.607 1.193 30 10 JDEE C#CCCCn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539139361 DHNDBKHIJSLXBB-SIKLNZKXSA-N 465.620 1.736 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1539230577 IBSXACLTYLDRFU-QRFRQXIXSA-N 475.571 1.081 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1539231338 VBIBJEHSIQBVCK-IBGZPJMESA-N 473.599 1.579 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)cc1C 1539416699 SBXFUDBKHOEQIL-NRFANRHFSA-N 490.630 1.120 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccccc2OCC)CC1 1539432081 XNMJUVLCCKNGJZ-GOSISDBHSA-N 460.604 1.285 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(OC)CCOC2)CC1 1539470793 ZPIIPQDUIHHXQY-XMMPIXPASA-N 453.543 1.725 30 10 JDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1539965998 CYYRSZGVNCDTSJ-IBGZPJMESA-N 489.646 1.916 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1540865349 CMZCJNOHFXATBW-UHFFFAOYSA-N 453.503 1.844 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(CCO)Cc1ccc(F)c(Br)c1 1540871375 KGIYVWRSGQATFL-OAHLLOKOSA-N 482.354 1.985 30 10 JDEE CNC(=O)[C@H]1CC2(CCN(S(=O)(=O)N(C)C)CC2)CN1c1ccc(C#N)c(C(F)(F)F)c1 1548380481 WTONZFVFYCWGFZ-QGZVFWFLSA-N 473.521 1.790 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(C3CC3)C2)c1 1587684342 WMTSJXPYXMOCHG-MJGOQNOKSA-N 499.641 1.429 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cccc(Cl)c1 1587988988 DTRZQGRMTRIYOZ-YLJYHZDGSA-N 467.979 1.242 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1588024720 KCMBRBHPMYCHNI-GDBMZVCRSA-N 464.617 1.612 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1588055419 VWHRPZASAJVVLR-PMACEKPBSA-N 463.604 1.405 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1588069002 DYEILCWGUUOJOS-LJQANCHMSA-N 457.535 1.349 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1cc(Br)cn1 1589150657 IMBGFYYCPRTKDB-KBXCAEBGSA-N 484.424 1.930 30 10 JDEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1594807206 HQQDDUFSIFAIPL-QGZVFWFLSA-N 486.598 1.891 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)NC 1595119863 IBLQKLHRDYSYDC-UHFFFAOYSA-N 450.540 1.395 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1595522382 CUAPHWUNMITCRY-OAQYLSRUSA-N 497.644 1.487 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCNS(C)(=O)=O)C1 1595680299 INCRTTQVRBIDCD-OAHLLOKOSA-N 487.424 1.767 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1595753314 GVTCSCDHBDTTBV-QGZVFWFLSA-N 461.592 1.232 30 10 JDEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(N2CCOCC2)CC1 1598088694 CVGFFNHDTMPKAP-UHFFFAOYSA-N 451.575 1.890 30 10 JDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nnc2n1CC[C@H](C(F)(F)F)C2 1638218528 GLAQMAHGQIFZEO-YPMHNXCESA-N 456.450 1.258 30 10 JDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)c1 1650854403 CIVPIQMCBRMMMW-SFHVURJKSA-N 452.536 1.979 30 10 JDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(c3ccc(S(=O)(=O)NC)cc3)CC2)c1 1654662816 YXZNAKUVSCRYDB-UHFFFAOYSA-N 455.540 1.046 30 10 JDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)CC)c1 1666555638 JKIBUDBMQXRQPY-UHFFFAOYSA-N 451.526 1.355 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2(O)CCN(C(C)C)CC2)CC1 1690148392 FSLFIFDRZZUUEW-UHFFFAOYSA-N 479.629 1.465 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)c2ccco2)CC1 1690152316 HCPPFNMNSXHCBF-DEOSSOPVSA-N 465.558 1.606 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCOCC1 1690565323 GZDNVKCTGPFVDS-LJQANCHMSA-N 473.599 1.655 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCCS2(=O)=O)C1 1690692272 VLLKEWHHPZZNET-SFHVURJKSA-N 477.587 1.779 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCS(=O)(=O)NC(C)C)C1 1690700865 YZSJJAXTNMNNGR-PXNSSMCTSA-N 477.587 1.900 30 10 JDEE CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)N(C)C)C2)CC1 1695886169 DWDJRVDALJTXER-OAQYLSRUSA-N 450.591 1.511 30 10 JDEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1697934158 BCSZTECLHUJIFR-MBSDFSHPSA-N 469.546 1.072 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1705562179 YKRZGYFWIVJHKU-IBGZPJMESA-N 472.571 1.964 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705566384 NJKMAEJAVUJLED-KURKYZTESA-N 481.619 1.570 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1705570465 PKQVTCOMVKVHSF-IBGZPJMESA-N 452.540 1.343 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1705642586 ZFWOQCXNIJVBDC-UHFFFAOYSA-N 476.629 1.510 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCC(=O)N(C)C)CC1 1705643418 FNNMUEIZNMSTKU-IBGZPJMESA-N 473.622 1.974 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(O)CCOC2)CC1 1705646987 VWZHNAYOCTTXGB-DEOSSOPVSA-N 469.542 1.080 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cncn2)CC1 1705698293 RVZVKWTWMQZYCR-QRQLOZEOSA-N 478.623 1.378 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1705903007 OLBGHMDTGRPICP-CYBMUJFWSA-N 457.478 1.536 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1705906182 WEKSJLWIBPHMPL-SFHVURJKSA-N 467.603 1.831 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705935459 SCQHXVFIJOCBIK-GOSISDBHSA-N 479.006 1.679 30 10 JDEE CN(Cc1ncc(Cl)n1C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1711120141 FBBXHOKHIGMSIG-UHFFFAOYSA-N 462.967 1.731 30 10 JDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1712882286 ADMHSYADXODISD-BDJLRTHQSA-N 488.389 1.047 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1722358707 KZSBPSUXQYCKPT-KRWDZBQOSA-N 458.544 1.145 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1722365179 LRBKXFRTHLXIBI-SFHVURJKSA-N 472.596 1.542 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1csc([C@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1722369665 DMLULJDVUFHFMZ-BHYGNILZSA-N 465.601 1.969 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@H]1COCCO1 1722394644 ZKSNDZMQVFDLNW-SFHVURJKSA-N 456.572 1.507 30 10 JDEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCOC)CC1)c1ccccc1 1722542272 WTEHABFNVNVICQ-OAQYLSRUSA-N 487.626 1.873 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CCOC)CC1 1722692643 UAVRYSZNSATBNV-UHFFFAOYSA-N 455.563 1.218 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1722727580 JOUFEAYYGANQMB-IBGZPJMESA-N 490.630 1.893 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNS(=O)(=O)CC 1740608099 LEWNPLPDVBSHBR-MRXNPFEDSA-N 454.597 1.401 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1740621977 RIZQMEAFEFDZCM-GOSISDBHSA-N 453.572 1.420 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCNC(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1740622076 TWGREZHJLIBDQF-HXUWFJFHSA-N 480.594 1.649 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740627335 ZZEUMJYVFIWILN-LJQANCHMSA-N 488.614 1.758 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1740628553 YRYSWHCKTOAJHF-HCXYKTFWSA-N 468.645 1.633 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCOC[C@@H]2C)CC1 1740708593 VPKTUFJZDXVHCO-LAUBAEHRSA-N 453.591 1.778 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1740752589 YFLDXYVIUOHPOT-LMMKCTJWSA-N 474.587 1.920 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCS(=O)(=O)CC1 1740763762 POZDWHSHGHJUIF-QAPCUYQASA-N 465.601 1.486 30 10 JDEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNS(C)(=O)=O)C1CC1 1740915940 YUUWUUWKIPYUCE-GASCZTMLSA-N 454.597 1.753 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1740951402 YEFZVEKTZPOSIW-VWLOTQADSA-N 481.601 1.750 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1740957126 BYAUMFYWZBRAGF-UHFFFAOYSA-N 479.585 1.925 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(N(C)C(C)=O)CC1 1740960703 YFSQQBBMTXMAOJ-FQEVSTJZSA-N 454.531 1.540 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)OCc3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1740964889 JDUAPDYCQKAIMZ-VWLOTQADSA-N 498.584 1.691 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(CN2CCOCC2)CC1 1740990102 IOPLZOAAXPYDHN-UHFFFAOYSA-N 474.631 1.798 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1740994396 NJXZCEVMRKPGSE-ZWKOTPCHSA-N 462.528 1.615 30 10 JDEE C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@H](C)CC#N)n1C[C@]1(O)CCS(=O)(=O)C1 1741973072 HMXKEFNTPLMFPI-QEEYODRMSA-N 451.524 1.845 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1748817033 COTFRJABFODZOR-UXHICEINSA-N 492.623 1.002 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1748821830 VQDWGXSADVEVNB-OAQYLSRUSA-N 461.632 1.896 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(NC(C)=O)nc1 1748846940 NBHKLGSNBDHSTQ-UHFFFAOYSA-N 469.553 1.927 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([S@@](C)=O)CCC1 1748914262 CZRJXQSOJNLUNB-SSEXGKCCSA-N 463.629 1.956 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC(=O)N2CCN(c3ccccc3)CC2)CC1 1748979101 WCYGUQLZOUNEEJ-QFIPXVFZSA-N 495.628 1.106 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2OCCC2(C)C)CC1 1749001526 VMZLQXXBPRCAOS-IBGZPJMESA-N 458.607 1.977 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCNC(=O)c2ccco2)CC1 1749005923 BCEPBEOTMGPZLT-UHFFFAOYSA-N 450.499 1.835 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1749022996 OSIGJLZSWHEDCZ-OAHLLOKOSA-N 496.684 1.715 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749127535 NBIWXNCPHVBHEB-VQIMIIECSA-N 463.608 1.520 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(N(C)C)CCSC1)C1CC1 1749519433 KVBIWOONENEQLB-YLJYHZDGSA-N 470.665 1.203 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@]3(CCO[C@@H]3C)C2)cc1 1749682930 CZXYFEYXRRWLSA-IXFSTUDKSA-N 491.614 1.886 30 10 JDEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1750584139 FQNMLVMRCNDDBQ-WZONZLPQSA-N 453.547 1.692 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760181121 PWFFFWHAWHMFAL-JPLJXNOCSA-N 468.620 1.832 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1760183619 CFYTVYZNYNXXJW-ZYSBOAIWSA-N 480.612 1.358 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1Cc1cccnc1N1CCOCC1 1760209149 WTNLHQJBSRVUIF-UHFFFAOYSA-N 463.586 1.939 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1760258998 WLPVKQMAYFYDAX-IBGZPJMESA-N 487.626 1.932 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@]2(O)CCN(C)C2)CC1 1760270556 RFGBWOFCJWOQNY-VWLOTQADSA-N 450.587 1.210 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)CN2CCCC2)CC1 1760271298 SSEYMZBLRHVXPJ-IBGZPJMESA-N 455.607 1.098 30 10 JDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOc2cccc(OC)c2)CC1 1760346133 JFJOELNVDVYULA-LJQANCHMSA-N 475.615 1.966 30 10 JDEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOC)C(=O)C1 1760440583 MYDOHRICCCQKAB-UHFFFAOYSA-N 454.579 1.713 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1760557207 DIGYCDXCZHMTLD-UHFFFAOYSA-N 488.614 1.760 30 10 JDEE CCN(C)Cc1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)c1 1764728873 AHWGKZLJXUGYOM-GHTZIAJQSA-N 489.646 1.849 30 10 JDEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1 1765663893 CAKBGPSHHWJJRO-UHFFFAOYSA-N 468.562 1.449 30 10 JDEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1770361339 HWDPYOYRDNCSNI-ROUUACIJSA-N 460.560 1.141 30 10 JDEE NCC(=O)NCCCOCCOCCOCCCNC(=O)OC[C@H]1[C@H]2CCC#CCC[C@H]21 1857791783 MZZHRBCWKALCAE-WKCHPHFGSA-N 453.580 1.057 30 10 JDEE C[C@H](NC(=O)c1ccc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1)C(=O)Nc1ccc(C#N)cc1 1866899901 KRGOWEAXUHHCAC-FDDCHVKYSA-N 495.605 1.624 30 10 JDEE C=CCn1c(C(=O)N(CCOC)CCOC)cc2c(NCCCN3CCOCC3)ncnc21 1875229760 FDPDGWFHKDVBRV-UHFFFAOYSA-N 460.579 1.487 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cccnc3O[C@@H]3CCOC3)CC2)CC1 1890179773 FWACAWDIJAHDMZ-JOCHJYFZSA-N 456.587 1.511 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)C1 2077116018 LWBFYSFDHYKVID-YMAMQOFZSA-N 458.386 1.762 30 10 JDEE C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC[C@H](n3cc(-c4cncc(C#N)c4)nn3)C1)C2=O 2087921140 GHFFQVXCPGOTJK-MTJJIEKYSA-N 476.541 1.876 30 10 JDEE COC1(CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255645554 IJXJVYAFVSNRKH-UHFFFAOYSA-N 453.370 1.808 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CO)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255752307 IAYQAEBOGYVAKC-HNNXBMFYSA-N 456.370 1.150 30 10 JDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1 2267129112 XFNWOODTCHWSKB-CYBMUJFWSA-N 467.397 1.851 30 10 JDEE Cn1cc(C(=O)N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2267170790 AIKGHHYPFOTXEW-HKUYNNGSSA-N 484.362 1.533 30 10 JDEE CC(C)(C)OC(=O)NC[C@H](O)CNS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2267472826 WLGZNMFWSZSFHZ-ZDUSSCGKSA-N 474.360 1.289 30 10 JDEE CC(C)(C)OC(=O)NCC12COC(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)(C1)C2 2268795743 CUOGUCOETDPHLU-UHFFFAOYSA-N 466.369 1.272 30 10 JDEE Cn1nc(C(=O)N2CCC[C@](O)(CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2281976846 HMEYIGFRDYVAHC-QFIPXVFZSA-N 464.372 1.211 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282330167 VXSLHKFXQYGGCA-LSDHHAIUSA-N 484.428 1.643 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282350378 MAGYGGDEPVATHI-HZPDHXFCSA-N 483.396 1.029 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2282699331 ISETVBUCOSCKDC-RCDICMHDSA-N 461.372 1.491 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@](C)(CO)C1 2283059419 DDJIZMNKNSPSCQ-QFIPXVFZSA-N 462.356 1.220 30 10 JDEE CC(C)(C)OC(=O)N1CC(c2nc(=NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)s[nH]2)C1 2296452762 VTXAJQDATLMBHF-UHFFFAOYSA-N 476.368 1.569 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)[C@@H](O)C1 2357503993 ANRNMDQBEKDYFY-QODMOLNLSA-N 466.384 1.804 30 10 JDEE CCOCCC/N=C(\Nc1cccc(C(=O)O)c1)N1CCN(CC(=O)N2CCOCC2)CC1 46021950 UHDUHPSKTKQKPZ-UHFFFAOYSA-N 461.563 1.056 30 10 JDEE CCCCCCCCNC(=O)Oc1ccccc1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O 106384759 ULFHIENXDOWOOW-BIRZXAFVSA-N 468.547 1.458 30 10 JDEE COc1ccc(N2NOC(=O)/C2=C/C(=NC(=O)c2ccccc2)C(=O)NC[C@H]2CCCO2)cc1 585673600 JWLKXJWSMNVDKR-RRPXZTCBSA-N 464.478 1.939 30 10 JDEE COc1ccc(Cl)cc1N1C(=O)C[C@@H](N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O 610548805 IWVWAFFVEBVTPK-GOSISDBHSA-N 488.953 1.859 30 10 JDEE C#CCN(C(=O)C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1)[C@@H]1CCS(=O)(=O)C1 729334548 TTWIBTJMJPGEFA-QGZVFWFLSA-N 452.960 1.850 30 10 JDEE C#CCN1CCN(C(=O)CN2CCc3nc[nH]c3C23CCN(C(=O)OC(C)(C)C)CC3)CC1 1171659071 MYSKBXCXPAJKSQ-UHFFFAOYSA-N 456.591 1.271 30 10 JDEE C#CCOc1cc(F)ccc1NC(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1215512550 NTMNCMRDLGDMPJ-UHFFFAOYSA-N 452.430 1.820 30 10 JDEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286336867 PMWTWXAELQMFTI-IBGZPJMESA-N 450.543 1.424 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1286384578 IPVJLVOCWMVJHW-KSZLIROESA-N 478.546 1.599 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1286386528 CEFMMARKSXOLQC-ROUUACIJSA-N 462.597 1.315 30 10 JDEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCNS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1286397987 VTLMDOGKFUZWER-QGZVFWFLSA-N 497.668 1.055 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCS(=O)(=O)C1 1286420786 KJLYCPHPBZMNCY-KRWDZBQOSA-N 460.581 1.246 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2occc2C)n1 1286472149 VSQLTFMGYGQLLV-GOSISDBHSA-N 472.571 1.613 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C(N)=O)C1 1286555020 WATGJALMFKTQDZ-BJLQDIEVSA-N 488.614 1.488 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNC(=O)Cc2cccc(F)c2)CC1 1286638206 WTKBFOQMUFDXIY-INIZCTEOSA-N 464.567 1.543 30 10 JDEE C=CCNC(=O)Cn1c(N(C)Cc2ncc(Cl)n2C)nnc1[C@]1(OC(C)C)CCOC1 1286793172 USOSIZCUMUMGEM-FQEVSTJZSA-N 451.959 1.644 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C3CCOCC3)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1286794113 XCAFFVXNTGSSKI-CYFREDJKSA-N 476.622 1.310 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1286794164 YIJVIKHGFXTURR-VAMGGRTRSA-N 473.622 1.058 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1286821527 OELOPUHBIUQAOQ-LJQANCHMSA-N 466.629 1.792 30 10 JDEE CC(C)c1nc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cs1 1287169342 AEBOVENRTHMFAZ-GDBMZVCRSA-N 450.590 1.732 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1 1288524298 BPVCDINGBCYXNP-MAUKXSAKSA-N 450.540 1.731 30 10 JDEE C[C@@H](CN1CCOCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1288713447 AASOREIKXLIWPB-RBUKOAKNSA-N 467.574 1.364 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2(O)CCN(C(C)C)CC2)c1 1300332799 OMNGLLKFXRMGRM-OAQYLSRUSA-N 493.612 1.521 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)CN1CCOCC1 1300537218 BBWGGEUTJHGLFE-NHCUHLMSSA-N 486.617 1.628 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)NC(C)C 1300649773 VZIRAMFUCUFAAC-UHFFFAOYSA-N 459.551 1.785 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1300719567 GZROSXFXSBJLCW-SFHVURJKSA-N 456.572 1.273 30 10 JDEE C#CCSCCn1c(N2CC[C@H](NC(=O)NC3CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1300777962 ILPINPAFFSUIGY-AVRDEDQJSA-N 462.620 1.725 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1300877232 WWYKEWBOLZLKIF-RBUKOAKNSA-N 461.611 1.981 30 10 JDEE C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1300963115 OIAOZFKNYGMKLW-UHFFFAOYSA-N 466.546 1.208 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1301514609 KPVRXCQVZIDKQC-NRFANRHFSA-N 468.602 1.935 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1301568367 SHLIZLGORJJJJR-GOSISDBHSA-N 463.608 1.672 30 10 JDEE CNS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1315071593 FZGZAMLNSURWTK-UHFFFAOYSA-N 463.567 1.978 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2CCn2cncn2)cc1 1316533838 FYLSSZRBKYULHV-MRXNPFEDSA-N 489.462 1.525 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCOc1ccc(F)cc1 1358949011 QTWXTKAJMYDENL-IBGZPJMESA-N 465.551 1.679 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)N1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1358964363 XTPBRFQCRODBRZ-RTBURBONSA-N 479.647 1.298 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358964964 LEADSQJVJLDJGB-AUSIDOKSSA-N 458.584 1.665 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1358992385 KCNBSVAACUDGJQ-QGZVFWFLSA-N 464.551 1.882 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2OCC(C)C)CC1 1359029308 UNANYKQPQQGDPS-IBGZPJMESA-N 474.631 1.727 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H](COC)OC)CC1 1359035476 VHTFGHKBIPRAGF-HXUWFJFHSA-N 476.622 1.809 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO1 1359254855 GDJADFBBWPRTMP-SFTDATJTSA-N 491.614 1.991 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[C@@H]1NC(=O)NC1=O 1359263793 MGUNSAVFOWUMOK-HOCLYGCPSA-N 478.600 1.423 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)N(C)C[C@H]3C2)cc1 1359306629 MFWPHXLLSBUPAY-WMZOPIPTSA-N 489.602 1.057 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCS(C)(=O)=O)C1 1359322582 YSVXKELFQMPICN-DLBZAZTESA-N 485.607 1.412 30 10 JDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359479159 FUORNMNQYCKELP-NUJGCVRESA-N 494.643 1.356 30 10 JDEE C#CCN(CC(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1)C(=O)OC(C)(C)C 1443914223 CZTRNBPSPKZITQ-UHFFFAOYSA-N 454.571 1.980 30 10 JDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(CS(C)(=O)=O)CC1 1468368339 ADSSKCLROHTWOR-KRWDZBQOSA-N 455.602 1.567 30 10 JDEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)C1 1505142063 AEFFHVGXZNWUSL-MOPGFXCFSA-N 474.587 1.531 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(F)c1 1507537211 GXQBCBDMWNTJMT-FRQCXROJSA-N 465.551 1.676 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1507576883 XSFJUCRAVUCURX-HOTGVXAUSA-N 454.597 1.795 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1507622399 IJKBUXVPKGQVCN-SFHVURJKSA-N 494.581 1.449 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@]1(O)CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1507628530 XBLGANVMLWBKPS-NRYAXDJKSA-N 488.610 1.463 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(OC)nc1OC 1507644504 JJOUYQPDQPYUMN-UHFFFAOYSA-N 494.577 1.729 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(OC)CCOC1 1507711155 PBENRKXDWISEBF-JPYJTQIMSA-N 479.578 1.478 30 10 JDEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1507919268 NBIBCVXFALKFLP-UHFFFAOYSA-N 483.552 1.934 30 10 JDEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@@H]2C1)c1ccccc1 1507924298 LDGBPLQTNJGLOD-TYPHKJRUSA-N 474.631 1.769 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2C1 1507966090 YHJKRLBTHZNGGT-FQEVSTJZSA-N 461.588 1.766 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1508084397 NVFMVAUBMCYRLY-KRWDZBQOSA-N 457.604 1.679 30 10 JDEE CCO[C@]1(c2nnc(N3CCN(c4cccc(F)c4C#N)CC3)n2C[C@@H](COC)OC)CCOC1 1516211844 BMVZLWMXMVOKSO-MHECFPHRSA-N 488.564 1.929 30 10 JDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1516945016 BCXDRLLLURLRRV-RTWAWAEBSA-N 499.641 1.383 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1539125894 PQSDSHNHQQEHQQ-YLJYHZDGSA-N 475.571 1.301 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(O)CCN(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1539216470 SKIDFNCWIRLRCD-GOSISDBHSA-N 460.604 1.135 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1539229732 HPPPZMPZGSOZBG-SFHVURJKSA-N 469.571 1.277 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNS(=O)(=O)CC 1539284459 OBCMJKVHMPZWSI-CALCHBBNSA-N 464.592 1.061 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(C)CN(C)C1=O 1539312585 VDJVPOKDDICUCJ-JOCHJYFZSA-N 453.572 1.179 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccc(C)cc1 1539369856 OZBVHNQEEHXKIT-FQEVSTJZSA-N 461.588 1.848 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1539445951 LRUJLBZKDIDZEA-NRFANRHFSA-N 457.460 1.940 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(S(C)(=O)=O)CC1 1539630954 HPXZICJROALGRU-FHWLQOOXSA-N 453.609 1.973 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC2(CC1)OCCO2 1539728415 BQLRZFOWFULAAK-INIZCTEOSA-N 457.597 1.603 30 10 JDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1540033222 BDYQKXAKUWBTKI-IBGZPJMESA-N 454.579 1.461 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1540073979 VWRDRJHLIMGSBT-HSALFYBXSA-N 468.668 1.991 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1540861731 DTOULDNLMFGCTD-AOMKIAJQSA-N 455.519 1.002 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 1540871063 CHEZIFMKEGJYNY-FUHWJXTLSA-N 461.588 1.646 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1 1540875177 CZXPHENTFPMMKZ-HNNXBMFYSA-N 457.560 1.095 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H](C)C1 1540987002 UTVVFRJSLSLVAD-UMIVRTMYSA-N 464.530 1.232 30 10 JDEE CN(C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC1)S(C)(=O)=O 1554124815 DRGVDDMYYOKMQA-HXUWFJFHSA-N 474.587 1.768 30 10 JDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1555077984 HXDUOCSAFDPSIG-RTWAWAEBSA-N 481.601 1.549 30 10 JDEE C[C@H]1CN(CCN(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C[C@@H](C)O1 1555959617 CHNUPGASVDRQHI-HDICACEKSA-N 472.615 1.939 30 10 JDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1587878769 GPPWOJFMYUFZFK-SFHVURJKSA-N 469.615 1.426 30 10 JDEE C#CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1588069495 PGLIZPZRBJVCIK-IBGZPJMESA-N 497.625 1.958 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1588069666 SBHFUQGEQQSABP-HXUWFJFHSA-N 473.574 1.885 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1588074849 TWILDQRXJRGIIJ-XUVXKRRUSA-N 494.658 1.755 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1588762546 JZWWALAHTOVTOJ-XDOYNYLZSA-N 497.506 1.828 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1588913235 DBVNPGBNELRMSZ-PMACEKPBSA-N 467.618 1.749 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC(C)C)nc2)CC1 1588923951 ROHCRSCCZWYPCC-IBGZPJMESA-N 465.558 1.426 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)N(CC)CC)CC1 1594240895 BZUXRGVENPQCDA-HKUYNNGSSA-N 454.641 1.744 30 10 JDEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1594591320 RLOBFMPJQORGIM-HXUWFJFHSA-N 451.535 1.618 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 1595550349 CXKJAJYTADLQRE-LJQANCHMSA-N 488.614 1.211 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1595821211 AWZVTXFTOXXSDZ-GOSISDBHSA-N 475.571 1.716 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cnc(N3CCOCC3)c(F)c2)s1 1611172113 XXQMFJYDYWHPTB-UHFFFAOYSA-N 454.549 1.442 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1689993463 DYYNTHJTTAITSI-KRWDZBQOSA-N 464.617 1.177 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1cnn(Cc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 1689996785 OFNMHBDAMSYTGE-NRFANRHFSA-N 468.583 1.734 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@H](c1ccc(C)o1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689996921 RFKFREBVJYHPKK-VQTJNVASSA-N 491.614 1.416 30 10 JDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCn1cc([C@H]2CCOC2)cn1 1690034274 CEOZKEAEKVEWIP-RDPSFJRHSA-N 452.559 1.794 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2Cc2ccc(C)n(C)c2=O)n1 1690109629 YJQIHTYAJVTCHH-UHFFFAOYSA-N 472.553 1.878 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC(=O)N2CCOCC2)CC1 1690117415 HAXSKQJRDHHFLW-UHFFFAOYSA-N 482.585 1.355 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@H]2CCC(=O)N2)CC1 1690119665 NPDRTEXYRRVJIB-LJQANCHMSA-N 452.559 1.776 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H]2CCCN2c2cc(NC)ncn2)CC1 1690146030 DEYYUTIYCBZBJV-HXUWFJFHSA-N 479.633 1.943 30 10 JDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2nn(C)c(=O)cc2C1 1690234625 JRDVEIXSAOIONP-GUYCJALGSA-N 465.352 1.567 30 10 JDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690319409 LSDLOODZQIIITK-UHFFFAOYSA-N 484.586 1.449 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccco2)CC1 1690508856 QZZCKXVYHNTBTD-QGZVFWFLSA-N 463.560 1.328 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1690665496 GGSVJOGBQVWFKR-DLBZAZTESA-N 454.531 1.369 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](CNC(C)=O)C1 1690673760 COOCTCYBFSMZJM-GOSISDBHSA-N 450.547 1.171 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1690682602 UCBXCQKOXMXXRC-MSOLQXFVSA-N 459.572 1.856 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C(C)C)CC2)C1 1690699678 HWXRTRCOKLFTCO-MSOLQXFVSA-N 453.609 1.829 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705558895 LASRATYBABDHNX-FQEVSTJZSA-N 478.663 1.698 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1705562920 MPVSHKFQXWWPTA-HXUWFJFHSA-N 485.610 1.887 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1=CCCOC1 1705623230 KLRAPVIAPATIEM-UHFFFAOYSA-N 459.572 1.628 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@@H]2NC(=O)CC2(C)C)n1 1705631576 JGQXUUQCMMXZPS-IBGZPJMESA-N 463.546 1.133 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(S(C)(=O)=O)CCC2)CC1 1705647775 KEDZOVGNJYKUTI-SFHVURJKSA-N 463.604 1.453 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)NC)c1)C1CC1 1705855168 WWKMQZJWZCEMST-IBGZPJMESA-N 474.587 1.174 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccc(C)cc2)C1 1705925500 QAEQTAUIWCGXBK-UXHICEINSA-N 473.599 1.700 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1705931383 OEQFWAVMCKGMKA-OALUTQOASA-N 454.556 1.665 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1705935449 RWKJUTBNGPZBON-UHFFFAOYSA-N 452.625 1.805 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@H]1C 1705939492 YFMGFGKRBQTSLZ-SJORKVTESA-N 496.634 1.618 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCOCC2)CCCCC1 1706069578 FTZROXLTPWNNEK-MSOLQXFVSA-N 467.640 1.519 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1706878319 FVIRFGWOZIOJON-KDOFPFPSSA-N 460.626 1.232 30 10 JDEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(=O)OC)C2)c1=O 1710192268 CXYNKYAWSPPEMI-IBGZPJMESA-N 462.510 1.958 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCSCC1 1722385805 PEWOQXJXMJRUIW-UHFFFAOYSA-N 477.682 1.764 30 10 JDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1722493531 IKZCZXHMDZMHCK-GDBMZVCRSA-N 453.385 1.827 30 10 JDEE C=C(Cl)Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1722558488 PMZKJZQMHGLJEA-MGPUTAFESA-N 452.943 1.544 30 10 JDEE C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N)N1CCc2ccccc21 1723777730 APYJJLFLJWDNGC-LQWHRVPQSA-N 487.630 1.801 30 10 JDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1 1724437530 DKUGMKHFPROLQE-HKUYNNGSSA-N 460.560 1.176 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1740563069 QJMONVKLVIQZAS-OALUTQOASA-N 479.541 1.564 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](Cc1ccccc1)OC 1740671677 MEMMKGLMWHHKCK-UXHICEINSA-N 461.588 1.328 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2COC)CC1 1740705560 IORZEYBNQBYKHD-OAQYLSRUSA-N 485.610 1.341 30 10 JDEE C#CCSCCn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1740722328 GVAHVNQXJSZIAZ-FQEVSTJZSA-N 471.649 1.157 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)NC 1740730452 ZHMPMKFIIOPNTD-HSZRJFAPSA-N 483.598 1.777 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)nnc1C(C)(C)C 1740767678 QCWIHIQXKFTEPN-APWZRJJASA-N 472.594 1.023 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1740988458 FHDJPYHNIVLZLB-UXHICEINSA-N 462.572 1.939 30 10 JDEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)C1 1741082790 BSTPWNZCDDRUDI-NRFANRHFSA-N 481.601 1.944 30 10 JDEE CCN(CCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](F)(C#N)C1)S(C)(=O)=O 1746309347 HNDGPNRBCCLEBT-OAQYLSRUSA-N 478.550 1.830 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)N1CCSCC1 1748649391 ODGSCNZSNHUGTQ-CYBMUJFWSA-N 487.449 1.872 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)N1CCSCC1 1748649393 ODGSCNZSNHUGTQ-ZDUSSCGKSA-N 487.449 1.872 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN(C)CCOC 1748788346 AYIYZFOEZBGDCZ-SFHVURJKSA-N 450.584 1.624 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1748811906 NVQUTWGZZMIATR-NRFANRHFSA-N 495.609 1.250 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCC1CC(OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1748814421 FQSRZTSLDDEKTD-JWHDQAAXSA-N 477.631 1.840 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CCNS(C)(=O)=O 1748956525 GBZBQDOZXHEQPF-UHFFFAOYSA-N 474.356 1.482 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCn2ccnn2)CC1 1748991008 OEMVEOZWURZLPT-FQEVSTJZSA-N 483.621 1.830 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCc2cnn(C)n2)CC1 1749001500 UKMJFMHVGMFKIC-PUZFROQSSA-N 483.621 1.565 30 10 JDEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749193261 DJENYZPQJMKYIY-UHFFFAOYSA-N 481.605 1.201 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1749609178 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CC(=O)OC[C@]12C[C@H](OC(=O)CC(C)C)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@H](OC(C)=O)[C@@]2(C)[C@]12CO2 27641322 BXFOFFBJRFZBQZ-CNLOIQPPSA-N 466.527 1.693 30 10 JDEE in-vitro CC(=O)N[C@H]1N(/C=C2\C(=O)Oc3ccccc3C2=O)C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)N1C 33688706 WPNGPFVIPPVILI-KMCRGRQQSA-N 462.418 1.815 30 10 JDEE CC(=O)OCC(=O)[C@]1(O)[C@@H](O)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](OC(C)=O)C[C@]21C 504691928 MCXFEPIGNNTCAA-JQYIGMDKSA-N 460.523 1.670 30 10 JDEE C=CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 514920433 DWEFYSRWVKPRPB-UHFFFAOYSA-N 455.536 1.151 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1C[C@@H]1CCCO1 619537569 CQVNMDGVXLVTBG-INIZCTEOSA-N 479.480 1.793 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(NS(C)(=O)=O)ccc2OC)s1 1158958651 XSLIJWCPUWZMKX-UHFFFAOYSA-N 459.571 1.774 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(CC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1286379791 CEDTZAVELNPXBE-KRWDZBQOSA-N 451.593 1.250 30 10 JDEE 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C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1300481509 ATQWBFAQQKHNRC-JJCDCTGGSA-N 457.581 1.355 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(F)cccc2Cl)CC1 1300682796 JWIXPNAWQRFRSK-AWEZNQCLSA-N 454.959 1.484 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1300682974 UOXMUZYGXQXTRZ-HXOBKFHXSA-N 472.977 1.157 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1300684229 YFZZCJZVXKXKLO-ZWKOTPCHSA-N 461.563 1.747 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1300708079 MSHDVHCDJOTEEG-HXUWFJFHSA-N 472.615 1.345 30 10 JDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1300756146 GPOQYKUSGRIOLC-UHFFFAOYSA-N 487.611 1.655 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1300876549 TYUYYOFLFAKXHN-IWFBPKFRSA-N 496.678 1.559 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1301458824 FQZDARLYKAXFNZ-SFHVURJKSA-N 468.624 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C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCO1 1507701550 KCOGZKXAAJIKPR-LEWJYISDSA-N 489.573 1.735 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)N[C@@H](C)c2ccccc2)CC1 1507720422 DINLMDANCOGXRT-VQTJNVASSA-N 487.674 1.773 30 10 JDEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O 1507781494 AMHRXIKPLQAAIV-CYBMUJFWSA-N 495.403 1.970 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1 1507794684 AMOHRZRQBQMABU-ULQDDVLXSA-N 453.565 1.050 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC(C)C)C1 1507798956 PWUQLRFXDKXBFI-ZRNYENFQSA-N 468.620 1.792 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCOCC1 1507998996 KGGDGNVYERHTID-QFIPXVFZSA-N 484.626 1.967 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)OC[C@H]2C1 1508087572 CTCVRMVGBJYWGP-DLBZAZTESA-N 489.577 1.336 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1508095826 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C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1286381814 OEYNQJBVYPMGGI-KRWDZBQOSA-N 479.006 1.920 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1286392023 HMBKBVBUNSBMEP-CEXWTWQISA-N 495.646 1.958 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1286395032 LAYVZAXQPHWZOD-JAXLGGSGSA-N 472.615 1.748 30 10 JDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1286400517 HNWFHPSTZNZDCN-DEOSSOPVSA-N 450.543 1.283 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccn(Cc2ccccc2)n1 1286431805 RXLWIRIKKATETQ-OAQYLSRUSA-N 462.579 1.936 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1286778938 BWIHPZVIZBSQDV-KRWDZBQOSA-N 470.574 1.958 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cccc(O)c2)CC1 1286780541 FSUCLKGPVXSPKM-UHFFFAOYSA-N 455.563 1.531 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1286786164 YXZILSVBMSOPTF-UHFFFAOYSA-N 478.532 1.542 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1286787117 ONSWCKVVQUZKMZ-UHFFFAOYSA-N 452.519 1.153 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1286821712 SUIYMJTWCSSTPR-HNNXBMFYSA-N 486.520 1.370 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@]2(OC)CCOC2)c1 1300331236 GVFMCAVPMOACCU-JWQCQUIFSA-N 483.569 1.792 30 10 JDEE C#CCN(c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1300493216 SNMGUDUPKRCKMY-SFHVURJKSA-N 498.609 1.728 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300504881 VDIQUPHYCUSWRN-YFVAEKQCSA-N 469.567 1.780 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Br)ccc1OC 1300509162 GVJXPJSTHYSCOP-CQSZACIVSA-N 480.388 1.781 30 10 JDEE C=C(C)COCCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301001363 HRFBTHOMGAWJHB-HSZRJFAPSA-N 473.578 1.498 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1301411226 VHAVMGABMQXIMX-QZTJIDSGSA-N 497.643 1.432 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1301521029 XZJATEHBFUMZPI-RXVVDRJESA-N 486.548 1.406 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1301531496 NYHMTECKTNCIJX-MOPGFXCFSA-N 494.639 1.807 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1301577521 KMJAMJFOZITGNF-IBGZPJMESA-N 457.560 1.735 30 10 JDEE CC(=O)N1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1 1301677143 CHLSXYJZXOGABQ-NHCUHLMSSA-N 499.641 1.841 30 10 JDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCOCC1 1303066319 BLNHQBQGECLDOC-GOSISDBHSA-N 466.608 1.195 30 10 JDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CC1=O 1303182873 FFHUZLHVZJHBON-UHFFFAOYSA-N 465.602 1.968 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCCCS(C)(=O)=O 1358885029 BHTXIERPTUEHIB-MRXNPFEDSA-N 466.633 1.911 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CCCCC1)N(C)C 1358891042 YVYYONQOLUUYIH-DFQSSKMNSA-N 466.652 1.579 30 10 JDEE C#CCCCn1c(-c2cnccn2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1358927054 LQKMJMHAKKXRAY-KBAYOESNSA-N 487.586 1.275 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1358965596 XQDMXYHQLXKCFD-MOPGFXCFSA-N 466.991 1.810 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H]1CC 1359025762 XXWMSVTZIRYCAL-QYZOEREBSA-N 453.609 1.523 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)[C@@H](C)CCC)CC1 1359044307 BULAMYNOPYKVSU-ICSRJNTNSA-N 458.607 1.690 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1359048739 ATMRILJJUHUDRS-HKUYNNGSSA-N 463.629 1.703 30 10 JDEE C#CCSCCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@]1(OCC)CCOC1 1359061808 MSJGZROEGUZRDU-XXBNENTESA-N 476.647 1.039 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)N1CCOCC1 1359089604 LOEABIUYLNDQMR-XLIONFOSSA-N 469.546 1.202 30 10 JDEE C=C(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CC(=O)NCCOC)CC1 1359118049 LTZOJLRPIJYNEG-UHFFFAOYSA-N 464.574 1.796 30 10 JDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1359135085 RHQFQBLGHKQLDJ-SFHVURJKSA-N 451.535 1.389 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(SC)CCN(C)CC2)CC1 1359165910 ZKXMALHVQPFGDP-SFHVURJKSA-N 484.692 1.595 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1noc2c1CCCC2 1359272148 MCKOHKYXHFQULX-LJQANCHMSA-N 462.576 1.705 30 10 JDEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1359285575 RHYGYSPZFWOHHI-UHFFFAOYSA-N 460.966 1.774 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1359306939 VSZUZVYQTQPUJV-REWPJTCUSA-N 482.585 1.196 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1359324340 JBBVINCVKWGBHF-KRWDZBQOSA-N 476.578 1.476 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1359330145 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C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1507709872 CWDUJMSFAKJYQX-QGZVFWFLSA-N 484.582 1.245 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(O)CCS(=O)(=O)CC2)CC1 1507721072 YDOHPIWLCCZQSE-GOSISDBHSA-N 491.589 1.252 30 10 JDEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1508029304 ZDKMEIZGZQBMDE-UHFFFAOYSA-N 460.560 1.446 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1508079565 ZCEBIQAIFQGMLI-HXUWFJFHSA-N 498.584 1.482 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1508089377 JPOLLWHLZYIMSE-FQEVSTJZSA-N 482.585 1.722 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(C)C)CC1 1508137276 YKOXGRQIIJBOOM-UHFFFAOYSA-N 466.995 1.899 30 10 JDEE Cc1c(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cc3F)CC2)cnn1C 1510486278 FBZLJTGVTYJMMM-UHFFFAOYSA-N 465.537 1.844 30 10 JDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](c4cccc(C#N)c4)C3)n2CC(=O)NCC(F)F)n1 1511718173 HXFQAQIIQSKECK-LJQANCHMSA-N 484.511 1.971 30 10 JDEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1517776387 CJNNMMZSLQFRMU-IBGZPJMESA-N 467.574 1.508 30 10 JDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1529258300 CKFUZHTUFNYXNM-PMACEKPBSA-N 463.600 1.624 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 1538196079 ZQVSBPAXIFLLBM-UHFFFAOYSA-N 453.511 1.354 30 10 JDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1539120237 SSTAVIUIBKIZRG-LJQANCHMSA-N 472.619 1.384 30 10 JDEE C#CCN(c1nnc(C)n1C[C@H](C)N1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1539205700 JIAPVSQGXPZGTP-UGKGYDQZSA-N 456.616 1.424 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1539224030 BVIKQAVKIBFVOK-WOJBJXKFSA-N 474.583 1.310 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCC[C@H](O)C2)CC1 1539490323 UYWCCAGBZINMSU-VMXMFDLUSA-N 459.591 1.519 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1539751174 HTFRVJMJSPZOKA-OALUTQOASA-N 465.620 1.516 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1540037520 NBRGIUONBUWOTB-WOJBJXKFSA-N 478.619 1.492 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1540119100 GUQJSUMRBQYGTC-QFIPXVFZSA-N 472.571 1.429 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](CNC(C)=O)C1 1540900469 WRXLQZLJHUDEJU-SFHVURJKSA-N 489.598 1.670 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1540903232 BEWPBHDQBRTKKX-IEBWSBKVSA-N 480.612 1.828 30 10 JDEE N#Cc1ncn(CCNC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)n1 1544157876 DKEFKQOBEGLDPE-UHFFFAOYSA-N 456.450 1.386 30 10 JDEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CC1 1545712837 HPSLDVNUTBLPSN-MRXNPFEDSA-N 488.543 1.235 30 10 JDEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1547628531 GCRSZAONFIAADW-MRXNPFEDSA-N 473.463 1.981 30 10 JDEE CN(C)C(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(S(=O)(=O)N(C)C)CC2 1548379492 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C#CCN(c1nnc(CCCc2ccccc2)n1CC1(C(N)=O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588069252 KIMSRJFHMVDBKI-OAQYLSRUSA-N 499.637 1.362 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccc(C[S@@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1588073918 FWARQJHDQXNDKR-HZAQMHFWSA-N 464.613 1.368 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1588646858 NTTSSGYLYIRCCI-LJQANCHMSA-N 491.589 1.290 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCc2cnn(C)n2)CC1 1588954415 HHMUZFYGVDPSID-UHFFFAOYSA-N 467.603 1.361 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1 1589493435 HMTPQRVHCIDDQT-KSZLIROESA-N 454.641 1.790 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncnn1-c1ccccc1 1589664282 XCQJIZZBRPKOQL-LJQANCHMSA-N 486.602 1.642 30 10 JDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1594813324 QRYLMQGDIZZOAY-NRFANRHFSA-N 460.623 1.899 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCN(C)C1 1595219096 PUVPIVLBXLGMFZ-JPYJTQIMSA-N 462.595 1.832 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CC)CCC2)C1 1595730920 ZVPOVBBUPXGDBM-MSOLQXFVSA-N 453.609 1.973 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1595845584 WNCGNUDVBTWZSA-TXPKVOOTSA-N 459.638 1.582 30 10 JDEE COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1619879939 IFZHHTNBHVTRTO-WOJBJXKFSA-N 453.547 1.257 30 10 JDEE CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCN(c2cnccc2C#N)CC1 1636777370 CNHZTTVXLDZJCY-HXUWFJFHSA-N 453.568 1.919 30 10 JDEE C=CC[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O)C(=O)OCC 1638325718 CCTYKWAROLYXMG-AUUYWEPGSA-N 452.305 1.840 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1689853646 WVBLMUZSCAVUAT-KSZLIROESA-N 498.650 1.618 30 10 JDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1689887368 YSNYIBQEWBEZSD-UHFFFAOYSA-N 469.571 1.077 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689982265 KEGNQAHKZWCRHS-FDDCHVKYSA-N 495.646 1.108 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1689982616 QRWIJOGKLJWSMY-UGKGYDQZSA-N 476.603 1.152 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689988489 PYMMPEXSDOSYQC-SJLPKXTDSA-N 461.519 1.052 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2nccn2C(F)F)CC1 1690148273 BBBCQAIDOKKOCC-UHFFFAOYSA-N 454.485 1.870 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2csc(CC)n2)CC1 1690150269 AZUVJTIGYMFMRC-UHFFFAOYSA-N 469.615 1.628 30 10 JDEE C#CCSCCn1c(C)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1690157965 UBNCVQCVBIYPRA-KRWDZBQOSA-N 483.660 1.861 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1 1690237433 YXMNTIBFLWUTRF-BJLQDIEVSA-N 466.652 1.934 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690245895 OFKNGQNWRGJYON-YRXWBPOGSA-N 453.609 1.529 30 10 JDEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1690315644 IKTPKNOVTHOEFM-UHFFFAOYSA-N 463.604 1.942 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)COCCO1 1690573840 GCJQLNVWUFVGMW-HNAYVOBHSA-N 455.606 1.948 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1690644642 YNBOYNUQZCOHOJ-LPHOPBHVSA-N 464.567 1.651 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1690668719 GLIHFKQOTHFDJP-QFIPXVFZSA-N 455.950 1.818 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)[C@@H]2CC)cc1 1690680225 MPKBHXFXQNYMKP-HKUYNNGSSA-N 459.572 1.508 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)NC(=O)OC(C)(C)C)C1 1690685695 BJYFDOIPUQTNOY-OWCLPIDISA-N 472.612 1.583 30 10 JDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1695442576 CVTXWNABBIJYJH-UHFFFAOYSA-N 481.601 1.804 30 10 JDEE CCNC(=O)C1(Cn2c(C(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CCC1 1695917169 FXCARGPDEKJFDF-UHFFFAOYSA-N 453.595 1.948 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCCN2CCOC2=O)c1 1696620010 CEFQJTYERHFVAS-UHFFFAOYSA-N 487.586 1.778 30 10 JDEE COCCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1697944323 BEBJRCIISRHNSA-HXUWFJFHSA-N 488.614 1.936 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1705533392 XDJONNDUNQZVFS-MSOLQXFVSA-N 475.619 1.983 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1705558629 CYKIOCPGMMRPEQ-JENIJYKNSA-N 465.620 1.496 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 1705564929 FSDPPCFRZOQGMI-RWNPKEDZSA-N 472.571 1.089 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OC(C)(C)O2 1705599185 WCUSZVVFVASKID-NRFANRHFSA-N 499.593 1.630 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOc2ccccc2Cl)CC1 1705633285 NOMWQQAPYRTKFQ-MRXNPFEDSA-N 466.995 1.376 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCOC[C@H]2C)CC1 1705646176 APTISTPKLLOSDS-NQIIRXRSSA-N 499.637 1.987 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1705730544 KXFCIMQYOJYVKS-GOSISDBHSA-N 476.603 1.490 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1705819617 PUAVJLPPKJJPAR-OALUTQOASA-N 478.623 1.627 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCOCC1 1705885530 VUGVSQOPTJTPEF-GOSISDBHSA-N 481.594 1.767 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1705909273 RWWBXXDCHIXDSA-QGZVFWFLSA-N 460.485 1.672 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCNS(C)(=O)=O)C1 1705922932 VXPNSOBZZTXBPR-OAHLLOKOSA-N 473.559 1.315 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1705927561 AQECVJJMQOBFIR-MSOLQXFVSA-N 465.620 1.899 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cccc(F)c2)C1 1705930099 FHBOXBLYWQAOBP-WBVHZDCISA-N 485.607 1.622 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1705931834 BXMJDVHRDXMXMO-UHFFFAOYSA-N 487.630 1.811 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@@H](C)C(=O)NC 1705935896 GECVSGGAYWKQBY-QAPCUYQASA-N 463.560 1.210 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1705936258 MOQAPJCUTWSVFF-RTBURBONSA-N 465.620 1.863 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1705938625 FCFCZDAGTVORFL-UHFFFAOYSA-N 456.638 1.341 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1706075003 IBTLPTDZFXJMGF-VSZNYVQBSA-N 452.625 1.664 30 10 JDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(c2ccnn2C)CC1 1711424951 DEZOHDVRIJAWLO-UHFFFAOYSA-N 484.586 1.395 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)c1ccccc1 1722295786 MEPWYYLOCWRMIJ-DOTOQJQBSA-N 453.515 1.861 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1722332377 JRDHLHQUZKACOA-FQEVSTJZSA-N 476.647 1.118 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1722364939 JOXMYAYSXNEISL-WOJBJXKFSA-N 462.547 1.440 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1722371262 VEXRKSSBRYWRIT-QINHECLXSA-N 450.586 1.726 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722371831 LZECCWDIFYCEBN-LJQANCHMSA-N 484.582 1.224 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1722447605 KSNMQANNXDAMBR-GOSISDBHSA-N 463.604 1.105 30 10 JDEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722461076 OSKDWLPTYGRZQV-QGZVFWFLSA-N 468.562 1.906 30 10 JDEE C#CCSCCn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722464734 QIWQOBJYTDMANL-XMMPIXPASA-N 499.641 1.506 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)C(C)C 1722665160 KVUIYBATVANHHV-FPOVZHCZSA-N 465.606 1.990 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C(C)(C)C)no1 1722681816 SYXKELTYBNXXFZ-KRWDZBQOSA-N 482.607 1.584 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCNC(=O)[C@H]1CC 1722695108 SUDULVYSJMFRRM-QGZVFWFLSA-N 456.547 1.758 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCN(C(C)C)CC2)C1 1722719269 SBGXTJWKFFWWDG-MOPGFXCFSA-N 467.636 1.197 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H]3OCO[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722737173 WCACKFGDIWCFMD-WNKDZCFJSA-N 483.591 1.211 30 10 JDEE Cc1cccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1724547083 AJQWISCEPYVULL-VXKWHMMOSA-N 459.572 1.845 30 10 JDEE CC1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 1726631658 GOUVUXPJFFOSHV-UHFFFAOYSA-N 464.618 1.759 30 10 JDEE CCN1CCCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1728583787 HHOJZFSADFIJNB-WOJBJXKFSA-N 487.630 1.799 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 1740622977 LYLWWINYDXGAEG-RDJZCZTQSA-N 465.938 1.697 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCOC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1740628697 ZOYVDIQXTUJQKN-ZCNNSNEGSA-N 466.604 1.732 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1c(C)nc2ccccc21 1740671528 JGLYLULRXRQIPB-HXUWFJFHSA-N 471.587 1.429 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@]2(N3CCOCC3)CCSC2)n1 1740688391 VAZQGCWWFCCDBG-JOCHJYFZSA-N 459.620 1.277 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CCC[C@H]2C)CC1 1740701065 SUHKUOPGQNSSQV-GOSISDBHSA-N 457.623 1.647 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC2(C(N)=O)CCOCC2)CC1 1740708408 OLGPLPIHVKZRIV-UHFFFAOYSA-N 456.591 1.259 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740757613 WOXDFSWLCYSMDH-WMQCIHAUSA-N 471.558 1.895 30 10 JDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnn(C)c1 1741144773 CBLUXXFASIUAMB-HOTGVXAUSA-N 457.560 1.768 30 10 JDEE CC(C)(C)OC(=O)NCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C#N)C1 1741229542 DNLQRRDSXJBEIU-INIZCTEOSA-N 456.503 1.970 30 10 JDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)cc2)C1 1741982975 CSXXYFACIZUZBL-NQIIRXRSSA-N 462.551 1.928 30 10 JDEE Cc1noc(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1742881511 ICRJLMCNTDZDJX-MGPUTAFESA-N 485.570 1.991 30 10 JDEE CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)NC)cc1OC 1746788479 CTHYIAMOYAGAKC-LJQANCHMSA-N 452.512 1.344 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C1OCCO1 1748671318 IRNVFHFOUXHODO-VQIMIIECSA-N 475.571 1.163 30 10 JDEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1748735664 VHGTVUQWGRBPHS-AWEZNQCLSA-N 455.382 1.967 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(OCC2CC2)c1 1748892682 UXCAYIDPVDBUII-OAQYLSRUSA-N 498.609 1.306 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CC(=O)NCC=C)CC1 1748987422 XIHNFUQBEMKUFH-UHFFFAOYSA-N 474.569 1.293 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCSC2)CC1 1748989755 OISIWFAKCXGUID-MBSDFSHPSA-N 492.646 1.210 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(NC(=O)OC)c2)CC1 1749008826 HBSWLBMFJHYSRA-UHFFFAOYSA-N 476.541 1.871 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(S(=O)(=O)CC)CC1 1749086243 IBTHLVHJVXODPX-LBPRGKRZSA-N 484.442 1.200 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749127531 NBIWXNCPHVBHEB-LPHOPBHVSA-N 463.608 1.520 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1749176114 YVUSNZWBIWGHBX-UHFFFAOYSA-N 458.588 1.325 30 10 JDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@H]1C 1749494649 VNCQNMKKCSZDHR-MSOLQXFVSA-N 450.584 1.929 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N1CCOCC1 1749584176 IPJMSZIOVBPGGM-FQEVSTJZSA-N 452.559 1.713 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccccc1F 1749670170 RXEGCIOSXDQBJX-GOSISDBHSA-N 480.566 1.079 30 10 JDEE C=CCOc1ccccc1Cn1c(Nc2ccn(C)n2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1749689032 DCQUXXRVWKBVKY-SFHVURJKSA-N 473.559 1.701 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1749725060 NTVPUXOBYAEVDT-OAHLLOKOSA-N 464.544 1.562 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(C(=O)N(C)C)CCCC2)CC1 1760260838 FQCDOQZNZIROFH-UHFFFAOYSA-N 452.607 1.544 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2C(F)(F)C23CCC3)CC1 1760266132 QMJFKCJONYJYEG-GOEBONIOSA-N 484.573 1.290 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(O)CCOC2)CC1 1760267622 SXGRPCZLBBVUTI-XMMPIXPASA-N 469.542 1.080 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1760281940 SJPZTVTUORXZMF-IBGZPJMESA-N 487.651 1.945 30 10 JDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1760355784 WCZFZVYEGCWMJT-UHFFFAOYSA-N 470.622 1.842 30 10 JDEE C=C(C)COCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760360236 VMIBDJCVMADOTL-FQEVSTJZSA-N 496.612 1.894 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CCC(N)=O)CC1 1760411528 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C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN1CCCO 1507652202 FBWUNKKGORKFPJ-LEWJYISDSA-N 486.617 1.506 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)N(C)C 1507676525 ODSNFBXYKUOWJK-SFHVURJKSA-N 478.619 1.704 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCN1S(C)(=O)=O 1507710425 GHCNPASIKFQYNB-XLIONFOSSA-N 475.571 1.301 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)N2CCOCC2)CC1 1507717772 ISKKSVQJIRRSJW-UHFFFAOYSA-N 476.423 1.902 30 10 JDEE C=C(Br)Cn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@@]1(OCC)CCOC1 1507791942 UBDORAFPZQSZEY-ZWKOTPCHSA-N 456.341 1.870 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1CC 1507820459 DMFMEDJZEXDHQK-MOPGFXCFSA-N 454.641 1.888 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccco2)CC1 1507845377 ZUTVSGXJVJJMAV-KRWDZBQOSA-N 463.560 1.328 30 10 JDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1507872249 BWKMPMJFOSAECL-QYZOEREBSA-N 467.014 1.888 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1508075316 XJTWXGABZCERCY-UHFFFAOYSA-N 484.557 1.380 30 10 JDEE C=CCOc1ccc(Cn2c(N3CCO[C@H](C(=O)NC)C3)nnc2[C@@]2(OCC)CCOC2)cc1 1508104425 LCWMPOMSZZVHSL-GBXCKJPGSA-N 471.558 1.495 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)=C(Br)C1 1508131677 OUXMYZYWSBGTPV-CYBMUJFWSA-N 496.453 1.368 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2nccnc2C)CCO1 1508378833 AMJZZPHESCXIOG-NRFANRHFSA-N 476.541 1.411 30 10 JDEE CC(C)NC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1509739555 ASJCGRMHUGYMHB-UHFFFAOYSA-N 453.547 1.860 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCOCC1 1519129909 DUVLAXUOJJFAFZ-HXUWFJFHSA-N 481.601 1.759 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccncc2)C1=O 1530267304 XPTXPLUKFWYKGW-MRXNPFEDSA-N 457.487 1.179 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 1539094215 MPMQARMDNUOOMA-SFHVURJKSA-N 488.614 1.395 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCOC1=O 1539305013 LSPCXAASSGLUQP-UHFFFAOYSA-N 455.540 1.654 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(CS(C)(=O)=O)CC1 1539361943 KEXUBKPRKUSYSW-UHFFFAOYSA-N 454.556 1.476 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC2([S@@](C)=O)CC2)CC1 1539482250 KPEBWHHGCAAHAJ-JGCGQSQUSA-N 457.575 1.885 30 10 JDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539498671 YILZMBQOUGWEOQ-UHFFFAOYSA-N 484.582 1.849 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)Br)C1CC1 1540110058 YOQWHYQRRDJITL-GFCCVEGCSA-N 470.340 1.754 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CCOCC)CC1 1540863886 IHIIGJKIXJSFGK-UHFFFAOYSA-N 480.411 1.507 30 10 JDEE N#Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NC[C@H]2CCCO2)c[nH]1 1566656295 GXFPWVKGZPBXFN-QGZVFWFLSA-N 459.528 1.750 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588025140 SYBNEHMXVLPZIH-MOPGFXCFSA-N 459.572 1.431 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588034690 KMOZDPSKYWWZGN-HHXXYDBFSA-N 477.612 1.403 30 10 JDEE C#CCN(c1nnc(C)n1CC1(N2CCSCC2)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588034763 LOIUXVNAIKFDDA-LJQANCHMSA-N 451.662 1.965 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588069671 SHDCCKAYOYFFRY-XUVXKRRUSA-N 460.604 1.582 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1588069879 UNZKSRUHYFHMBN-NRFANRHFSA-N 480.594 1.617 30 10 JDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cc(F)ccc1N1CCOCC1 1588673527 RIEQMYJXJHWOMA-UHFFFAOYSA-N 470.549 1.511 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCNS(=O)(=O)CC)CC1 1588864960 NFNRILBDJYUAMX-UHFFFAOYSA-N 460.604 1.168 30 10 JDEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NC)CC1 1593884858 KZLBZIYIQUNWKE-HNNXBMFYSA-N 469.974 1.800 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1595529785 HYIZJZGDZCJNBF-UHFFFAOYSA-N 453.532 1.718 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCOC(C)(C)C 1595536440 AAKKFPBOLZACBI-UHFFFAOYSA-N 453.547 1.746 30 10 JDEE CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](/N=C/c2ccc(Cl)cc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 1615947487 GFAKUQIPQRGBAP-VRSGRXMFSA-N 469.874 1.842 30 10 JDEE COc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)cc1F 1619284107 AGPACLJLVYWQPY-UGKGYDQZSA-N 492.577 1.937 30 10 JDEE Cn1cc(CNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)c(-c2ccc(C#N)cc2)n1 1632719816 CDZXHVRWNKPJKX-UHFFFAOYSA-N 451.508 1.584 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc(C)c(Cc3ccccc3F)s2)CC1 1671885686 SXCRUKQFJQWIOA-UHFFFAOYSA-N 451.549 1.799 30 10 JDEE Cc1ccc([C@@H](CN2CCOCC2)NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 1676799235 FVNIRLIJVMDPFN-JOCHJYFZSA-N 451.575 1.814 30 10 JDEE C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3cccc4cc(C)cnc34)CC2)nn1 1682167162 VDNMWVBEWGLOTL-UHFFFAOYSA-N 455.544 1.537 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1cccs1)[C@H]1CCS(=O)(=O)C1 1689980651 VSZSESXBMUUFLR-HOTGVXAUSA-N 499.684 1.554 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689983807 HXKGJZHWSMPQJW-NRFANRHFSA-N 487.626 1.693 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1689984060 KNXSQKHODGPWSL-WBVHZDCISA-N 498.030 1.445 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1689984863 XDQFOLPTZWURDL-SFTDATJTSA-N 469.567 1.639 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCNC(=O)c2cc[nH]n2)CC1 1690117875 YTZQAEXYFWCWMF-UHFFFAOYSA-N 456.913 1.646 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1690135210 RQINXOVGMGSRDW-QFIPXVFZSA-N 495.628 1.694 30 10 JDEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCC(=O)NC 1690170379 HEZSSXNINDYSBF-UHFFFAOYSA-N 453.572 1.614 30 10 JDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1690227574 BURXDOYEVLMPQG-CQSZACIVSA-N 475.413 1.388 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1690299419 QUXQGSDBMVOWSO-JOCHJYFZSA-N 468.602 1.962 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)OC[C@@H]2C1)C(C)C 1690581583 UUEZXLCJWOXYAE-IPMKNSEASA-N 457.579 1.569 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1690662082 QEYIREMIHMNXGB-IYBDPMFKSA-N 450.337 1.860 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(C(N)=O)c2)C1 1690699251 BVGWOHZDNMLUJQ-OALUTQOASA-N 459.572 1.303 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCn2ccnn2)C1 1698482543 DAOPHRIKUZODNI-FQEVSTJZSA-N 457.901 1.985 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(F)cccc2OC)CC1 1705524627 PYVQZALKPMFWFU-INIZCTEOSA-N 464.567 1.776 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1705558922 LYPNTQAOXSVLOG-SFHVURJKSA-N 461.592 1.088 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccnc1OCCC)[C@H]1CCS(=O)(=O)C1 1705567524 XEIHUACACJDXCJ-MOPGFXCFSA-N 459.572 1.641 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(OC)nc2ccccc12 1705583275 UJGXBYMUPCWTGZ-OAQYLSRUSA-N 494.577 1.289 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cc(OC)ccc1OC 1705583413 XPKUXIGLHMTQDJ-LJQANCHMSA-N 456.568 1.903 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCC[C@H](C)C1 1705583485 ZCLSACZQJBQDKJ-PMACEKPBSA-N 476.647 1.194 30 10 JDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1705615678 DPRCZEKNLMUJOJ-UHFFFAOYSA-N 470.537 1.240 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(O)CCN(C(C)C)CC2)CC1 1705640501 UOTABSRYVZBIOA-UHFFFAOYSA-N 454.594 1.999 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC2(OCCOC)CCOCC2)CC1 1705641160 USVXDKCQTYPINK-UHFFFAOYSA-N 454.575 1.231 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccncc2Cl)CC1 1705648321 QZCZNVIHSDWFDR-QGZVFWFLSA-N 476.990 1.243 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCNC(=O)c2cc[nH]n2)CC1 1705651117 KCFRYVRWPIBKLU-UHFFFAOYSA-N 494.531 1.115 30 10 JDEE C#CCSCCn1c(N2CCN(C(=O)N(CC)CC)CC2)nnc1[C@]1(OCC)CCOC1 1705664820 CAYARDZXAVSKQJ-QFIPXVFZSA-N 464.636 1.880 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)Nc1ccccc1 1705674167 BDEDTGORFVQPQM-WMZHIEFXSA-N 486.598 1.632 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC[C@@H]1CCCO1 1705675098 XSKARCWKRQIXDQ-CNNODRBYSA-N 481.619 1.189 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@@]1(OCC)CCOC1 1705707586 NXPCWJHXZCLQKQ-SELNLUPBSA-N 462.595 1.763 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1705819280 IIBPAJQJTWYYGL-QGZVFWFLSA-N 484.623 1.634 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1(C)C 1705885087 HKEAIVYHXQNHDW-IRXDYDNUSA-N 473.665 1.782 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1705899779 GXKDZDDFDKPMJY-GOSISDBHSA-N 454.579 1.098 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)Cc1ccccc1OC 1705903055 PGQHUTOAOCDIQQ-AEFFLSMTSA-N 461.588 1.558 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1705934520 ONONKBLQCFLQIG-FUHWJXTLSA-N 478.644 1.775 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1705934737 VSXLNPGVMXKULE-GOSISDBHSA-N 478.663 1.716 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)CCO1 1706047782 FPFLIMTUHXIRLM-IBGZPJMESA-N 453.503 1.000 30 10 JDEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCCS(=O)(=O)c2ccccc2)CCO1 1712884025 FEAUGDKOILKLPE-IBGZPJMESA-N 452.540 1.857 30 10 JDEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1722360726 JGFANVDOUOBPMK-MRXNPFEDSA-N 454.556 1.578 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722362427 ULPNDPFYZHVOAB-MJGOQNOKSA-N 456.572 1.806 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1722364037 WJZIDOVVIYRVNQ-QGZVFWFLSA-N 459.963 1.825 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1722369409 YWXQHMVBMZMBJT-JKSUJKDBSA-N 462.601 1.172 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722369658 DHRMXQZPWXLMRX-YLJYHZDGSA-N 486.516 1.891 30 10 JDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722387777 YQUNXAVHFHVNPZ-SFTDATJTSA-N 469.615 1.417 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCN(C)[C@@H](C)CC)CC1 1722433640 CTFZZZHUCWXNRZ-FQEVSTJZSA-N 487.674 1.681 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCOC[C@@H]2CCOC2)CC1 1722447868 OFTGDFHSEQOYER-PZJWPPBQSA-N 459.591 1.929 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Oc2ccccn2)C1 1722460867 JQJFDMNMWOKPNB-ZWKOTPCHSA-N 492.627 1.030 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722463144 XNAJCNPIJOAUMK-IBGZPJMESA-N 457.604 1.334 30 10 JDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1722549465 OSNULIDOHHBHEN-VNQPRFMTSA-N 495.993 1.614 30 10 JDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC(=O)N1CCOCC1 1722607672 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C=CCNC(=O)CN1CCN(C(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@H]3C)cc2)CC1 105265861 UESABTUFWXDKPO-BGYRXZFFSA-N 456.587 1.915 30 10 JDEE CCOCCn1c(=C(C#N)C(=O)Nc2c(CC)cccc2CC)sc(=Cc2ccnn2C)c1=O 523081481 FNFAHBWTONBRGI-UHFFFAOYSA-N 479.606 1.946 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC)c(OCC)c2)c(=O)n1C[C@@H]1CCCO1 552923885 SWFLOTDYOWKVJM-SFHVURJKSA-N 483.590 1.691 30 10 JDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)N(C)C2(C#N)CCCCC2)[C@H](C)O)cc1C 777310973 VQYKWWBJZJMQPW-FXAWDEMLSA-N 465.572 1.559 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCN(C3CCN(CC)CC3)CC2)s1 1142472029 ZDQHCGQEYVSEIX-UHFFFAOYSA-N 454.662 1.774 30 10 JDEE CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)c1 1144417493 ADPFKVFLTJYLEM-MGPUTAFESA-N 455.540 1.579 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OC(C)(C)O2 1286297428 WLTPNEOVLRWGJC-DNVCBOLYSA-N 475.571 1.625 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1286384798 SIKZRLBUIJLVEG-OALUTQOASA-N 492.623 1.544 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC1(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1286386958 KSAORHFAIIPAGT-HNNXBMFYSA-N 483.015 1.802 30 10 JDEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286387628 HCTKVHLYPGGUMM-GOSISDBHSA-N 466.567 1.598 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1286394829 KPCVSMCBDMEUOE-PZJWPPBQSA-N 474.583 1.516 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCOC1 1286465732 RKJKJSQOISGVCL-FDDCHVKYSA-N 463.579 1.630 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1286493341 NRKQNKXFJNQGCA-SFHVURJKSA-N 458.607 1.327 30 10 JDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1286529997 CLHUUNPBFOJQLL-HOCLYGCPSA-N 453.385 1.580 30 10 JDEE C=C(Br)Cn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286541930 GDNHGHVEWMDEJH-HNNXBMFYSA-N 475.347 1.221 30 10 JDEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCS(=O)(=O)C1)C1CC1 1286734491 AZZDENLFNINKTC-MRXNPFEDSA-N 479.628 1.785 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1286770445 LCXYSXFMYWCKDY-KRWDZBQOSA-N 496.659 1.489 30 10 JDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1286770834 KKICMBFWRLYLEC-INIZCTEOSA-N 466.571 1.821 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1286789604 VICPVZVOTNDIPU-UHFFFAOYSA-N 465.583 1.980 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(SC)CCN(C)CC2)C1 1286800834 ROZUDDWUGDIAQZ-IAGOWNOFSA-N 472.681 1.497 30 10 JDEE C[C@@H]1COCCN1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1291306771 GIZGZPRPLISTRH-IIBYNOLFSA-N 462.551 1.511 30 10 JDEE C[C@@H]1CN(Cc2cccc(CNC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)c2)CCO1 1291990336 IEZKBWYPJFVIQZ-QZTJIDSGSA-N 456.568 1.762 30 10 JDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 1296904385 BOSBCXGAMVNBKP-QVKFZJNVSA-N 450.561 1.988 30 10 JDEE CN(C[C@@H]1CCCCO1)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1298543469 AEBHJLSLMOQYFH-IBGZPJMESA-N 462.576 1.625 30 10 JDEE COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)cn1 1300209928 ANCLIERDDHWXEP-GOSISDBHSA-N 475.575 1.193 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccccc1-c1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1300479924 VLHLLXPUBJJFEF-HXUWFJFHSA-N 495.609 1.492 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@](O)(c1ccccc1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300495383 GWVGYFGPAXMYCH-MMOPVJDHSA-N 498.527 1.859 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1300502214 RKKAKFSRJGWSFI-GCJKJVERSA-N 472.571 1.267 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCCS(=O)(=O)C2)n1 1300680422 AXGSBHPGEVUFRE-SFHVURJKSA-N 471.587 1.581 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2SCCc3ccccc32)CC1 1300682645 IAOISBJXHJJRBG-FXAWDEMLSA-N 474.656 1.674 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCS(=O)(=O)NC)CC1 1300688865 LPRDNMLUUUXLTC-UHFFFAOYSA-N 467.393 1.012 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)OCC)CC1 1300712075 LOJKWDYGOYDRCN-UHFFFAOYSA-N 453.547 1.706 30 10 JDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](COC)C1 1300761351 LAWKWNJAZCJHEK-LJQANCHMSA-N 457.604 1.670 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1301187988 GDBONDJBVHYZQG-CEXWTWQISA-N 453.609 1.973 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1301490919 IJJQBJIJYPKECU-UHFFFAOYSA-N 480.617 1.555 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(=O)N2CCOCC2)C1 1301542913 GJYFKSMJLFOPCG-IBGZPJMESA-N 489.598 1.379 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(F)c1 1301967792 GVJHKCBRHKARMJ-DYVFJYSZSA-N 454.503 1.533 30 10 JDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOCC2(C)C)C1 1314990884 FRVVKCDLOXZNOR-HXUWFJFHSA-N 451.575 1.890 30 10 JDEE C#CCN(c1nnc(C2CC2)n1CCc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1358961569 BKGUYWDWLBUEMK-HXUWFJFHSA-N 455.584 1.727 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1358963346 GMMNHGYRDSUBJT-CTNGQTDRSA-N 457.600 1.717 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358967764 RKJVBFVIOXMWDZ-AQOAWAETSA-N 478.546 1.163 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1359039175 YWTUDXXJOHWELG-OAQYLSRUSA-N 466.586 1.879 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CC[C@H]2COCCO2)CC1 1359047436 GZTSICDJQCSGNC-QFIPXVFZSA-N 483.569 1.637 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359293350 NVDCYOXVRQVKQU-HZPDHXFCSA-N 465.551 1.873 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(CCC(N)=O)CC1 1359302319 CHBDNIMPODASIW-UHFFFAOYSA-N 450.547 1.301 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1359311371 YWMZYACBTMVWAE-AZUAARDMSA-N 470.549 1.779 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(CC)C1 1359342675 CHJLPJWKVUDQJV-VQIMIIECSA-N 459.638 1.536 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)CC1 1455114408 CZKLBIUUPJFADK-UHFFFAOYSA-N 454.268 1.693 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCc3cc(C(=O)OC)ccc3NC2=O)c1 1472103828 IDVZWEVEWBIWDZ-LJQANCHMSA-N 457.508 1.621 30 10 JDEE Cc1ncc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)s1 1492698628 FSYPCVRUGDSWJC-UHFFFAOYSA-N 467.555 1.989 30 10 JDEE COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)cc1 1504277017 FROOEKOHJMADQL-HXUWFJFHSA-N 474.587 1.798 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(C(C)=O)CC1 1507748319 MHGKVYGANPSXES-UHFFFAOYSA-N 461.613 1.774 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1507810264 LDMWBWLTXHVDQI-LZNRXBQRSA-N 483.635 1.429 30 10 JDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1507830470 ASASJCMEQIETBH-JKSUJKDBSA-N 455.581 1.786 30 10 JDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCN1CCOCC1 1507830784 ZHAWUNIYPGPHQO-GOSISDBHSA-N 450.584 1.931 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCCC1(C)C 1508039975 RXTHIEURVSUPGD-DYESRHJHSA-N 471.624 1.191 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1508091241 MNDMWVOHLHERES-DLBZAZTESA-N 476.578 1.337 30 10 JDEE CC(C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1508741578 ARYZRLWLQSHDFX-LJQANCHMSA-N 474.587 1.218 30 10 JDEE CC(C)OCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1509863186 AVZLHIFWTBZLJI-KRWDZBQOSA-N 461.592 1.512 30 10 JDEE C[C@@H]1C[C@@H](C)CN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)C1 1512000439 HOZCUWFJLIYPSF-SBHAEUEKSA-N 493.678 1.719 30 10 JDEE C[C@@H]1C[C@@H](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CCO1 1512014538 BHWPJJVCRSHXQZ-YZGWKJHDSA-N 480.635 1.946 30 10 JDEE CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)C1 1517409084 HCGWCXDNBBWXDD-FQRUVTKNSA-N 495.628 1.926 30 10 JDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1518643845 HIFMGIVVSJYQRO-IBGZPJMESA-N 472.571 1.079 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)ccc(F)c2C1 1539125008 JRWIWSDEJDZBIV-LJQANCHMSA-N 465.526 1.865 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1539206698 VCGAHTBKKZSHJD-WMZOPIPTSA-N 489.573 1.710 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1539215498 DGSQWMYVJSTTPX-HUUCEWRRSA-N 474.518 1.205 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1539219531 DDZSJWNLMOGWGK-QZTJIDSGSA-N 460.556 1.474 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(Cc3ccccc3)CC2)CC1 1539429775 CTKUPIBNGDUULB-IBGZPJMESA-N 456.616 1.666 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC(=O)N(C)CC)CC1 1539489989 PZXUPLHKRMZJJZ-UHFFFAOYSA-N 456.522 1.440 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)C(C)C 1540152512 WQNPKIVWZZPQOZ-UWHLTILDSA-N 469.634 1.985 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1540864757 JXALVXCHMCSREY-UHFFFAOYSA-N 488.614 1.346 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1540904657 OGKRFFIDGVWWRJ-QZTJIDSGSA-N 462.528 1.592 30 10 JDEE CC(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1540991336 VNRUNRYNMMVYTG-DQRAZIAOSA-N 467.505 1.203 30 10 JDEE COc1ccc(OCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1554984429 GPJOUUXEVSIVNP-GHTZIAJQSA-N 494.549 1.141 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2COCCO2)c1 1587690064 YGGXRVZZBCDOGK-RDPSFJRHSA-N 469.542 1.402 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CC1(N2CCCC2)CCOCC1)[C@H]1CCS(=O)(=O)C1 1588030089 PILOFAXKWUBKRB-IBGZPJMESA-N 463.648 1.847 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1588069228 JSBTWJXWTJQKCI-WZONZLPQSA-N 471.583 1.271 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1588139229 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CC(=O)N1CCN([C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3C[C@@H](C)N(C)C)C[C@H]2C)CC1 1596278916 YMBLDBYFONUDAP-YOSAUDMPSA-N 494.644 1.668 30 10 JDEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1680024394 FXKHZHZZYCSOQF-MOPGFXCFSA-N 457.531 1.989 30 10 JDEE C#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)CC2)cc1 1682680357 UITRNDUOBTYSNF-UHFFFAOYSA-N 458.496 1.801 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)c(F)c1 1689853049 OHLJNTNMSZOPJJ-HNAYVOBHSA-N 465.551 1.459 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1689984834 WHRONWSXCDBLME-ZOKDDAQRSA-N 462.597 1.492 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690004785 GNBQDNKLSFGWOP-KRWDZBQOSA-N 487.582 1.325 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2ccccc12 1690019497 KEBJUWUENFLBCM-NRFANRHFSA-N 466.567 1.408 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC[C@H]2CC)CC1 1690124036 DGJGRTYOMCIEJA-AQNXPRMDSA-N 464.636 1.193 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCOC[C@H]2C)CC1 1690152163 AMTQXWTXYJOGGR-MJGOQNOKSA-N 484.626 1.908 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccc2)CC1 1690156278 UOPRVZRKACXKTO-KRWDZBQOSA-N 476.628 1.217 30 10 JDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690473703 DUXITCMULGQCPS-UHFFFAOYSA-N 488.614 1.488 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1690674901 JNKWGECNZYREQS-VQIMIIECSA-N 456.522 1.808 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1690677116 NLPPKUZGRMTTTA-LJQANCHMSA-N 484.601 1.857 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3nc(C)cs3)CC2)nnc1[C@]1(OCC)CCOC1 1690678235 PECSOQVFSKLVES-NRFANRHFSA-N 461.592 1.324 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1690724067 HLKZGRFMOSFKSI-RBUKOAKNSA-N 488.614 1.941 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCOc1ncccc1F 1692535513 CZJXDAHKAQDRHV-UHFFFAOYSA-N 479.520 1.623 30 10 JDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)CC1 1697713858 CSFFXUREEVMMIV-SFHVURJKSA-N 467.574 1.269 30 10 JDEE C#CCCCn1c(-c2ccccn2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1705529553 JJYJYEXAYYGJIS-BHIYHBOVSA-N 486.598 1.880 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CN(CC)CC 1705551074 FZXQFUDUJOFOLO-OAQYLSRUSA-N 474.631 1.571 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCOc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1705567428 WDTQIKLHDUWIHX-RDTXWAMCSA-N 479.509 1.213 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705570136 NBYBHQSHRYMCGA-HXUWFJFHSA-N 488.610 1.240 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1nc(C)cc1C 1705573734 MTMLPKCEQONEEQ-LJQANCHMSA-N 465.583 1.812 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1705638926 BISXBJJGCDNAEF-QGZVFWFLSA-N 498.531 1.320 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)CCOC)CC1 1705643755 RHROQBDGTIYLQK-CYFREDJKSA-N 476.622 1.893 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(COC(C)(C)C)on2)CC1 1705647479 HIPFUMDKGCYGMQ-LJQANCHMSA-N 483.573 1.546 30 10 JDEE C=C(C)COCCn1c(N2CCN(C(=O)COC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705740766 WHYDOGIIDOMKAA-KDURUIRLSA-N 492.621 1.937 30 10 JDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(C)n(C)c1=O 1705837108 PWFMEUHOCKYPOG-UHFFFAOYSA-N 456.572 1.873 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1705843528 HVEYSWWYNZDLCJ-IBGZPJMESA-N 491.618 1.811 30 10 JDEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1705889629 OMQWEFUCFWOMPP-UHFFFAOYSA-N 471.587 1.894 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCOC2)C1 1705904354 MZSMTLWXLOYQAE-SBUREZEXSA-N 476.578 1.506 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1705932314 RYIRZKTXDRMSLF-UHFFFAOYSA-N 476.607 1.007 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1705934771 WRSMYJRXTWPPHB-UHFFFAOYSA-N 485.614 1.237 30 10 JDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCN(C(C)=O)C2)c1 1711702990 CSSQBQFQDRZOPE-UTKZUKDTSA-N 454.531 1.950 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1CCN(CCN(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1722368935 XFTBANSZBLZRFY-YADHBBJMSA-N 492.690 1.072 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC1(C(N)=O)CCOCC1 1722417483 IZYBJJXOPXJZCC-UHFFFAOYSA-N 456.522 1.477 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)OC(C)(C)O3)CC1 1722440252 BFOBDADQGBXCLG-UHFFFAOYSA-N 480.569 1.938 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1722623660 KEEVHSIJPMKBQD-ICSRJNTNSA-N 488.614 1.503 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C2CCOCC2)C1 1722703335 ZLJRTTVYUCGGTF-KRWDZBQOSA-N 458.588 1.825 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1722724203 QFSSYRMAHOYHMM-HZSPNIEDSA-N 469.580 1.217 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1722750792 OJDIFDNWPHKROJ-MRXNPFEDSA-N 477.587 1.620 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccccc1 1722866909 DGFHPLSFMLRVOD-MMOPVJDHSA-N 462.576 1.115 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1724009922 GUXFMCPRVGIJKH-DYESRHJHSA-N 477.612 1.762 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCC(=O)N(C)C)CC2)c1C#N 1725860497 CIRYXHDGVMTIRT-UHFFFAOYSA-N 486.584 1.925 30 10 JDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740587427 JPGRFRZQTVDOBQ-UHFFFAOYSA-N 486.646 1.298 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C(CC)CC)no1 1740640379 MAFUQHTWKSYEEG-HXUWFJFHSA-N 474.587 1.624 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)N(C)Cc2ccccc2)CC1 1740696217 OKHGEMMCNCPPSB-GGAORHGYSA-N 484.670 1.846 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1740715031 BKQROWPAQCJIGH-INIZCTEOSA-N 488.639 1.818 30 10 JDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(=O)NC(C)C 1740792313 HKDKXJTZOXGFAF-UHFFFAOYSA-N 453.547 1.746 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CCOC2)CC1 1740792831 MVFKMUFZIQUCHV-WOJBJXKFSA-N 483.635 1.457 30 10 JDEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740930183 PMHPOAQWRMXFLS-KRWDZBQOSA-N 493.659 1.698 30 10 JDEE CCCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1745432463 CZRIBKMNBGGBEV-QZTJIDSGSA-N 466.594 1.338 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCN1CCN(c2ccncc2)CC1 1748684795 PGISLHZIOHIMMW-FQEVSTJZSA-N 450.591 1.466 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@H]2CCCN2S(C)(=O)=O)c1 1748691769 MFNXNRDWOGGYBJ-HXUWFJFHSA-N 493.593 1.820 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1OC(F)F 1748791665 ZKTHBVWLUUSBHY-MRXNPFEDSA-N 473.477 1.469 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1748825176 WGLCSDMCAHXHHZ-OKYOBFRVSA-N 454.593 1.300 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1748929867 RHIRWLOETCFUIB-ROUUACIJSA-N 498.650 1.620 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@H]1C 1748965795 WKOYUHYHCUCMAP-IUKKYPGJSA-N 479.578 1.212 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCCN2CCCO)CC1 1748978807 OYPGSBSGBMRTJW-IBGZPJMESA-N 490.450 1.648 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(C(C)(C)C)s1 1749575246 OJYJBVIDTOSZRU-OAHLLOKOSA-N 481.648 1.987 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(C)noc1C 1749575437 RELWVQGOMJQUNO-GOSISDBHSA-N 450.565 1.637 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COC)C1 1749690522 STILJDWTPOZLIW-WIYYLYMNSA-N 491.614 1.697 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(C)(C)C(=O)NC)C1 1749706299 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C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1760257138 PKDWDUMFPHZXPJ-ZEQKJWHPSA-N 482.629 1.997 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC[C@H]2COCCO2)CC1 1760270843 BZJRJNHLWZTHLV-QFIPXVFZSA-N 467.570 1.937 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1760275429 XCFKYESMBXYCFM-JKSUJKDBSA-N 478.648 1.176 30 10 JDEE C=CCCOCCn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1760450755 RGQZQRDUBHNKRE-UHFFFAOYSA-N 463.608 1.691 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1760510186 JETOVOZEJKAMSP-SQNIBIBYSA-N 498.650 1.927 30 10 JDEE C=CCNC(=O)Cn1c(N2CCn3cc(C(F)(F)F)nc3C2)nnc1[C@@]1(OCC)CCOC1 1760529198 ZFTJWCBPMSHPBK-LJQANCHMSA-N 469.468 1.468 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCCCC2=O)C1 1760541829 AGAZELQBOPRCLS-MOPGFXCFSA-N 465.620 1.754 30 10 JDEE CN1CC[C@@](O)(Cn2c(COc3ccc(Br)cc3)nnc2N2CCO[C@H](C#N)C2)C1 1767514749 CKQGUWUCXHNTIW-XLIONFOSSA-N 477.363 1.415 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FAGDRMBQNIAMDV-IBGZPJMESA-N 471.583 1.415 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1359024001 CMGPZALAHHNEEK-AABGKKOBSA-N 459.570 1.604 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC[C@@H]2COCCO2)CC1 1359043010 CLKCWLHHSPEIDK-LJQANCHMSA-N 453.543 1.725 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359058292 YQQUGAULOIKWCX-GAJHUEQPSA-N 490.630 1.812 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CN(C2CC2)C1=O 1359113780 QMCCAOWSAXQRPK-DYESRHJHSA-N 466.608 1.024 30 10 JDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359230055 CWHYEVBZKXQITH-PMACEKPBSA-N 478.594 1.169 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO1 1359254853 GDJADFBBWPRTMP-NHCUHLMSSA-N 491.614 1.991 30 10 JDEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359267390 FHQSTGXVJXTKGL-FQEVSTJZSA-N 466.585 1.077 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1359302858 VURNNPKJVKIOFH-UHFFFAOYSA-N 479.566 1.668 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1359326550 CMJILPIEMJZVNQ-HNNXBMFYSA-N 468.605 1.360 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359328362 AYSIAHYSCCJDHM-AWEZNQCLSA-N 482.404 1.975 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)OC)CC1 1359335709 SJPHGJLGJZVKHM-UHFFFAOYSA-N 463.560 1.655 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCCC1=O 1359473327 ACIMMWOTDOBHLG-YLJYHZDGSA-N 470.599 1.947 30 10 JDEE Cc1cccc([C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)N2CCOCC2)c1 1441309388 HOGAKCXXUCSNDD-XMSQKQJNSA-N 456.568 1.723 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCN(CCC)CC1 1507589723 ZFZXPEBCADPVTF-IBGZPJMESA-N 452.625 1.335 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1507623208 POPWEEWCJYXPMF-QWHCGFSZSA-N 485.554 1.104 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1507624958 FORYRPPKIKYZJQ-HNNXBMFYSA-N 495.403 1.189 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1507625089 FWZNOBCXZCNKSN-HOTGVXAUSA-N 498.403 1.088 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507637498 BHKPVFVLWMEKEI-OALUTQOASA-N 490.655 1.392 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)c1ccccc1 1507654170 XBINNWLMXCQLSD-TZIWHRDSSA-N 455.584 1.878 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CC(=O)N(CCOC)C1 1507662210 FSIZXDSKNPGQPB-SFHVURJKSA-N 450.499 1.811 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1507955009 UGCZDKCNCSMIQV-SIKLNZKXSA-N 479.578 1.814 30 10 JDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)C[C@H]1C 1515923781 HPZNMPQNRFDBON-WOJBJXKFSA-N 453.591 1.980 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1539017209 YJFWAGRNKQDZRO-RCCFBDPRSA-N 498.650 1.714 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1539053358 QAISUWRPXDTQFJ-ROUUACIJSA-N 460.608 1.587 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CC(=O)N1CCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 1539203126 NXHBBMMWYQUFNZ-OAQYLSRUSA-N 484.626 1.377 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1539206695 VCGAHTBKKZSHJD-AEFFLSMTSA-N 489.573 1.710 30 10 JDEE C#CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)C)[C@H]1CCS(=O)(=O)C1 1539219900 OHNZGZRWFDTUPK-ZWKOTPCHSA-N 481.619 1.869 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(CCOCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1539221915 SOADBPFLXHVOMA-MOPGFXCFSA-N 477.631 1.843 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1539222677 XCHITVGPPMRAJI-HOJAQTOUSA-N 462.547 1.936 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1n[nH]c(C)n1 1539416145 KJAGZMTTZJEXBD-UHFFFAOYSA-N 450.551 1.207 30 10 JDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCS(=O)(=O)C(C)(C)C)CC1 1539454201 JFFAXRUZXHERLY-UHFFFAOYSA-N 450.634 1.602 30 10 JDEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1539497593 MFFUYOWLHNERSM-INIZCTEOSA-N 451.499 1.864 30 10 JDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CC1)COC(=O)N2 1539573826 DWHCLMRPDDYVGU-UHFFFAOYSA-N 462.308 1.913 30 10 JDEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539731073 XEXFAKWYZOZFAC-VQTJNVASSA-N 482.585 1.775 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)N(C)C 1540134402 WZGVUHUCSMOUMP-GOSISDBHSA-N 467.617 1.264 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1540900185 NBSMCVGZMLQILK-IAGOWNOFSA-N 467.979 1.979 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N(C)CCC(=O)NC 1540900435 VRHHFRWYSHCFLJ-UHFFFAOYSA-N 470.393 1.881 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1540904284 LGTZHYSUBQZWNW-UHFFFAOYSA-N 499.634 1.469 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@@H](C3CC3)C2)nnc1[C@@]1(OCC)CCOC1 1540908633 KKBPVCDDJLRUED-YRISNDGFSA-N 454.593 1.535 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N1CCOCC1 1541801745 CDRIDUMIMLEUTP-INIZCTEOSA-N 464.530 1.179 30 10 JDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1587754815 NSUVSWYPUNSRJO-INIZCTEOSA-N 464.617 1.665 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1587807850 JTWIGUYVSLIEAK-IEBWSBKVSA-N 453.609 1.856 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)COCC 1588233373 HWDOVLYRKQIWGQ-GOSISDBHSA-N 451.593 1.137 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)c1ccco1 1588645657 AWWNHYNYMNCWMQ-FQEVSTJZSA-N 451.483 1.900 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1594813407 SAOFACJJVJTTAX-QYZOEREBSA-N 469.608 1.067 30 10 JDEE C#CCN1CCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)c1 1602877470 YKNTUZJCGPUFIQ-SFHVURJKSA-N 450.561 1.526 30 10 JDEE Cc1nc2ccccc2n1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1612428485 BDKLTGLALMSANC-OXQOHEQNSA-N 486.602 1.565 30 10 JDEE CCS(=O)(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1617395176 HFECFRFUJGHZGT-HXUWFJFHSA-N 456.572 1.887 30 10 JDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1(N(C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1617727952 BTGJDIHMQKSBFV-LJQANCHMSA-N 458.588 1.551 30 10 JDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(CC(F)(F)F)CC1 1620176228 ACRSHRUWGZSOMH-UHFFFAOYSA-N 471.509 1.440 30 10 JDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC(=O)N2CCOCC2)CCO1 1620354451 FOQGPAJOYYFPPS-GFCCVEGCSA-N 467.349 1.357 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1689978186 OMEBDXXYYHRGFD-NLWGTHIKSA-N 486.598 1.613 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689988558 RSFITDQUJDHQKI-NHCUHLMSSA-N 485.589 1.747 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689990469 OWOWBKAUQRQWLP-GOSISDBHSA-N 452.621 1.937 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(CC(C)C)C1 1690046936 IGSTVIYUJHVBJY-FCHUYYIVSA-N 490.674 1.442 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)c(F)c1 1690104017 KLBWKLAKEXUZKD-SFHVURJKSA-N 477.562 1.144 30 10 JDEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1CC1(C(N)=O)CCOCC1 1690105841 ACSTYKQLWBIQIR-UHFFFAOYSA-N 450.543 1.649 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN2CCOC[C@@H]2C)CC1 1690133303 BDONNYUXKXFEAS-IBGZPJMESA-N 458.994 1.986 30 10 JDEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690159692 JRJVGJIXHOTISA-INIZCTEOSA-N 480.612 1.961 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1690274901 IYZKFQUSRYVOAO-KRWDZBQOSA-N 478.594 1.885 30 10 JDEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCS(=O)CC1 1690500146 MTFRFQTWNZCEST-UHFFFAOYSA-N 466.633 1.708 30 10 JDEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(NS(C)(=O)=O)CC1 1690503776 NRTOMLOULYPODO-UHFFFAOYSA-N 463.560 1.785 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CC[C@@H](S(=O)(=O)NCC)C2)cc1 1690679836 AXRNXVLEAMVKLY-AZUAARDMSA-N 461.588 1.913 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690715473 MFMZBJQBDKRACT-NVXWUHKLSA-N 486.591 1.781 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(C)c3ccccc3C2)nnc1[C@]1(OCC)CCOC1 1690731998 TULRRLYDYGTJLL-QHCPKHFHSA-N 475.615 1.987 30 10 JDEE C=CCSCCn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690738601 SEFYKHVABKHBHO-AWEZNQCLSA-N 491.415 1.774 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC2(C(N)=O)CCCC2)c1 1705507175 UJKUTNVQKJTYQQ-GOSISDBHSA-N 450.543 1.884 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1705516749 IHBBDUNUHATAGN-HXUWFJFHSA-N 488.614 1.798 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1705532645 PRDUZPHNIIHCOS-GOSISDBHSA-N 496.540 1.378 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1705558934 MHFBCJZVZIIWIH-SFTDATJTSA-N 485.610 1.399 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705559054 PMDJTWBDIQKGMF-NRFANRHFSA-N 490.674 1.795 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccco1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1705559264 WBSGKNLOVCJDQX-RBUKOAKNSA-N 488.614 1.473 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1c(F)cc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1705567152 VDBPMRROHBFJPG-IAQYHMDHSA-N 485.463 1.461 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN(C)Cc2ccccc2)CC1 1705644015 WZMDIHPZBRWFQM-GOTSBHOMSA-N 452.603 1.889 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCN(C)CC(F)(F)F)CC1 1705648606 ZLABMYRVKAQYEV-UHFFFAOYSA-N 495.506 1.466 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2OCC=C)CC1 1705651333 SOQNDWXYQCEWMM-UHFFFAOYSA-N 476.581 1.979 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)OCC)C1 1705695843 CQAMAFXCUGZJLK-MHORFTMASA-N 484.623 1.584 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(-c2cccn2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C 1705867757 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C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OCC=C)cc1)[C@H]1CCS(=O)(=O)C1 1507632158 XUFSEEYUTUGFGT-FQEVSTJZSA-N 466.567 1.918 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507632961 BUAHMPWAISLWMQ-XCGNWRKASA-N 480.537 1.314 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1507635787 VLELDVJEWYHXPY-SFHVURJKSA-N 463.629 1.719 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1507639571 ZROYLMJNENZXQR-SHUHUVMISA-N 468.620 1.426 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507663097 SGUFIODACHCBJY-SFHVURJKSA-N 483.413 1.782 30 10 JDEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C(N)=O)C1 1507837815 WBMGVZFDCMMZIL-INIZCTEOSA-N 461.592 1.451 30 10 JDEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1508051556 QSGUMGXEOUHPAO-SFHVURJKSA-N 458.538 1.724 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)CN2CCN(CC)CC2)C1 1508107638 DLVVEODLLKMIMO-NHCUHLMSSA-N 459.639 1.569 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1508130972 JUYWCTHUJIPVSS-QGZVFWFLSA-N 496.634 1.608 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@]2(CCOC2)C1 1508144621 QXFXAIRMBJILAO-IBGZPJMESA-N 453.590 1.230 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1539206675 UJRWCFNZKYBZOA-WMZHIEFXSA-N 488.614 1.066 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2CC2(C)CCOCC2)n1 1539424572 SWBHCTWXRVMPIJ-UHFFFAOYSA-N 452.563 1.978 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@]2(C)COCCO2)n1 1539424955 ZUDUSOIKJYPOOO-WMZHIEFXSA-N 458.563 1.460 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CSc3ccccc32)CC1 1539431206 QMFGSRHORALWOZ-DLBZAZTESA-N 460.629 1.533 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(=O)NCC=C)CC1 1539469087 NQXVXHJPASGYCA-QGZVFWFLSA-N 468.533 1.825 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(Cl)c(OC)c2)CC1 1539477585 RRTSWSMKWWDJEJ-SFHVURJKSA-N 470.961 1.905 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCCS2(=O)=O)CC1 1539484603 WIMODIOAWIUVNI-LJQANCHMSA-N 490.655 1.567 30 10 JDEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C(=O)NC)CC1 1539498329 SFHLBBSRHPBCEV-UHFFFAOYSA-N 489.671 1.875 30 10 JDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1)c1ccccc1 1539765948 LHHDMHYPVKPHDT-LJQANCHMSA-N 465.558 1.896 30 10 JDEE C=C(Cl)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)NCCOC)CC1 1539802882 BGJBBMHIDVECNR-IBGZPJMESA-N 476.965 1.428 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1540858172 KLSZKQAROJNNIP-GOSISDBHSA-N 466.608 1.168 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1540893670 HYJBEIKVNCGIGC-MSOLQXFVSA-N 466.633 1.839 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)OC[C@@H]2C1 1540898904 YIPMXHYZVPGCND-CVEARBPZSA-N 479.534 1.799 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C1 1540937511 CSUUNSLHCSKJHB-LJQANCHMSA-N 474.587 1.183 30 10 JDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1554478514 HTKGZQZNRLJFDS-SFHVURJKSA-N 495.506 1.564 30 10 JDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NS(=O)(=O)CCC)cc1F 1561155202 XLNMJPOBLROZJZ-AWEZNQCLSA-N 454.567 1.341 30 10 JDEE C=C1CN(C(=O)Cn2cc(I)c(=O)c(I)c2)C1 1584283338 RTDPDUXCCZJDBG-UHFFFAOYSA-N 456.021 1.456 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)c1 1586508946 SMIPGBSLUZLSMG-UHFFFAOYSA-N 453.517 1.983 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CC2(C)C)c1 1587683210 DXVLIONAZKNKQW-NVXWUHKLSA-N 458.588 1.991 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1588034030 AFDKMJJMBSNVDO-RBUKOAKNSA-N 457.512 1.825 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588040776 QIWCOPVISQCCLW-SFHVURJKSA-N 483.598 1.975 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1588070056 VKTCOYMKXGBOFV-SFHVURJKSA-N 461.563 1.719 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(CCC)CC1 1588386497 POXZFBVFHVVHBK-LJQANCHMSA-N 452.625 1.193 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1589528365 GASLUJIFIXQTTP-QRVBRYPASA-N 453.609 1.625 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1593637124 XBWBKYKAMZTFLS-LJQANCHMSA-N 465.576 1.841 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccco2)C1 1593747217 ROPRLZUDFGBDHS-RTBURBONSA-N 481.575 1.375 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(C(=O)NC)c2)CC1 1594096468 BQCFIMBEJWCMKC-IBGZPJMESA-N 474.587 1.175 30 10 JDEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1595447173 PCNGOPHGEGQRMB-UHFFFAOYSA-N 491.017 1.917 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1595506401 ACODPQAYNPDWSL-WMLDXEAASA-N 458.950 1.966 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1595537147 MLYPCTZBGNDTAL-HKUYNNGSSA-N 465.558 1.178 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(=O)NC(C)C)C1 1595713999 JVXANNGITPMZHB-MRXNPFEDSA-N 451.531 1.498 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@@H]1C 1595884745 RTEYHWPMLXLKTO-JKSUJKDBSA-N 459.638 1.534 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2CCCN2CCCC2)C1 1620170616 HBXZXHWFDOSJEM-IBGZPJMESA-N 465.624 1.227 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](CCC(=O)OC)C(=O)OC(C)(C)C)ccc1F 1628199095 DFVGUDXIBXVUFU-HNNXBMFYSA-N 458.508 1.683 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)CC1 1632961336 WFCXTLZYMYSANZ-XZOQPEGZSA-N 453.564 1.981 30 10 JDEE COc1cc(OC)cc(N2CC[C@@H](CNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)c1 1638482480 DNSGMHZWMFSHKZ-KRWDZBQOSA-N 458.540 1.496 30 10 JDEE CC#CC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1666930170 MYWPESMCTSXIQY-KRWDZBQOSA-N 450.561 1.204 30 10 JDEE C=CCCn1cc(CNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)nn1 1670837402 DQKGEGMAKSGDOU-UHFFFAOYSA-N 453.590 1.897 30 10 JDEE C=CCO[C@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1682526268 WNTYEQYSVPBWIU-FQEVSTJZSA-N 452.577 1.134 30 10 JDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccccc1S(=O)(=O)N(C)C 1690074055 QEMUECGRGSQZTR-UHFFFAOYSA-N 470.555 1.764 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1690120038 CTUIXCBGELOABR-UHFFFAOYSA-N 453.572 1.327 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1690124871 WCCMSWUYQRNPPC-UNMCSNQZSA-N 486.642 1.247 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2c(CC)nn(C)c2CC)CC1 1690132230 LVYMNRIGQWMMAO-UHFFFAOYSA-N 480.642 1.931 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690236360 LWVGFTPYFMHGNR-LNLFQRSKSA-N 482.651 1.648 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCC2=O)C1 1690300683 ICLUUISRJVGDQN-SJORKVTESA-N 454.597 1.072 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(S(=O)(=O)NC)c1 1690595022 MCFXZBJUUSSYNT-QGZVFWFLSA-N 465.601 1.315 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1690675118 POUOYHFSFCOKHT-FQEVSTJZSA-N 452.559 1.843 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)NC(=O)OC(C)(C)C)C1 1690685693 BJYFDOIPUQTNOY-BZUAXINKSA-N 472.612 1.583 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](OC)C(F)(F)F 1705494960 ITQOLTNZYISQKO-MELADBBJSA-N 453.487 1.036 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)N2CCOCC2)c1 1705505668 RGCOZHZSDCWWLK-FXAWDEMLSA-N 465.558 1.006 30 10 JDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705543486 IMEZUSXGWXPFFW-UHFFFAOYSA-N 456.572 1.908 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1705562282 ZLBGMGKGANGVGB-QFBILLFUSA-N 472.546 1.966 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1705562502 DJEGHVRRXMHWRL-HOTGVXAUSA-N 476.990 1.535 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1705568675 SPQPGSBTBGINPJ-IBGZPJMESA-N 498.609 1.891 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(CS(C)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 1705570010 JKGDPMRRBUTUPR-FQEVSTJZSA-N 478.640 1.696 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCNC(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1705571601 CMULQYFBXYJSMD-JKSUJKDBSA-N 463.585 1.248 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCO[C@H]1C 1705574852 PFNIPLWTOJEKPX-HTAPYJJXSA-N 456.572 1.159 30 10 JDEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1NC(=O)CC1(C)C 1705622626 NSPCQFMHTNMGAI-KRWDZBQOSA-N 487.630 1.547 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCO[C@@H](C)C2)CC1 1705632453 QSBFWUCJEYXPEC-FQEVSTJZSA-N 466.590 1.182 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCN2CCOC2=O)CC1 1705643980 WQSQSCGUOVARFP-KDURUIRLSA-N 487.605 1.646 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)N(C)C)CC1 1705645942 KUFIEGHYGKNXFQ-QGZVFWFLSA-N 454.575 1.878 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705698898 ZXJKWLOJECOTNK-NCYKPQTJSA-N 495.694 1.086 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)CC)C1 1705805627 KWNJFIOFZKJITK-ROUUACIJSA-N 468.624 1.462 30 10 JDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)N1CCOCC1 1705837363 YNRZLFWQOULKHW-UHFFFAOYSA-N 462.576 1.067 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)N1CCOCC1 1705864142 RWSQJUUCURVCJI-HNNXBMFYSA-N 468.605 1.001 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1705888184 JOTUDNFLUVKJNT-UHFFFAOYSA-N 458.588 1.830 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C)ccc2C)CC1 1705897557 OFELNILQEJDFPM-SFHVURJKSA-N 475.619 1.134 30 10 JDEE CCNC(=O)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cc1 1710324052 CJNWJJDEOHDRRI-UTKZUKDTSA-N 460.535 1.420 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1722277465 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C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300498201 IRJWETQWSMDMJQ-VQTJNVASSA-N 468.583 1.787 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1300506773 YBBMWBOIXIWAFV-QZTJIDSGSA-N 463.604 1.405 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@@]1(N2CCOCC2)CCSC1 1300663604 FRALRNRTKBMYCP-QHCPKHFHSA-N 456.616 1.942 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)CN2CCOCC2)CC1 1300718710 VIFNRMSHSAPQPQ-IBGZPJMESA-N 495.584 1.787 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1300726302 MTYFNXRCNQVRFV-VXKWHMMOSA-N 472.634 1.495 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](Cc2ccccc2)OC)CC1 1300728877 IHRFCLBVNIXBGE-QFIPXVFZSA-N 478.597 1.624 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1300732269 ACZIEPLHCCJYPE-DYVFJYSZSA-N 483.582 1.784 30 10 JDEE C=C(Br)Cn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300861817 NFUYWBUKICWOCZ-RTBURBONSA-N 454.369 1.944 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1301356924 GEXWFFJHFUXAEE-SFTDATJTSA-N 482.628 1.734 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](CNC(C)=O)C1 1301482735 BIIJYBJECHUSQD-HNNXBMFYSA-N 495.353 1.490 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1301497212 RVPISBFFWTYJDX-UHFFFAOYSA-N 463.590 1.623 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1301505766 AQXJSSALLFEBRP-OAQYLSRUSA-N 465.558 1.246 30 10 JDEE C=CCSCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1301623938 PTVVTTZWCRUZGC-IIBYNOLFSA-N 464.592 1.322 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C)nc(N2CCCC2)c1 1301808914 HXKZGOKESZHLSI-FQEVSTJZSA-N 487.630 1.899 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(C)(C)N1CCOCC1 1303847331 DCUJMMHUWVUEBH-JXFKEZNVSA-N 453.613 1.129 30 10 JDEE CC[C@H](C)c1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCNS(=O)(=O)CC 1305520011 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C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C)C(=O)C1 1359059995 GPWNPBSFCOUXOE-UHFFFAOYSA-N 467.643 1.288 30 10 JDEE C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1359124005 BROAIHQFLBKTCU-UHFFFAOYSA-N 482.585 1.557 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1359133116 LVAYEYQSXLBVPB-IAGOWNOFSA-N 455.581 1.488 30 10 JDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCS(=O)(=O)C1 1359280902 IRDBXVDXSFQRCD-OAHLLOKOSA-N 451.549 1.469 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N(C)C[C@H](C)C(=O)NC 1359329755 SVXXWAQNEWVNNF-INIZCTEOSA-N 456.572 1.912 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1359332047 NOUCVQQEONUSTK-MSOLQXFVSA-N 499.634 1.850 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1359332850 IIWYKYGICGEAGG-SFTDATJTSA-N 494.706 1.704 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1359335405 KVNLJGQOCIWDCY-UHFFFAOYSA-N 489.598 1.573 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(F)F 1359473536 DLPFHJFHSAUPOR-WMLDXEAASA-N 484.529 1.857 30 10 JDEE CN(C)CCN1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CC1 1503401004 GJBNNTNYWFMDOH-UHFFFAOYSA-N 494.644 1.704 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccc(OC)cc1 1507538572 NKPWHGDDHSCHSR-YLJYHZDGSA-N 461.588 1.710 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1507625829 BDBPOKJLFJBLQT-SJORKVTESA-N 465.963 1.426 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1507629639 VPSASWGSYJUOPA-QGZVFWFLSA-N 472.596 1.983 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1507635197 UDDISFMCVAJAIX-PGRDOPGGSA-N 459.547 1.113 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1507638822 HDEUCXBYCBYZML-JVIIGWRGSA-N 499.593 1.285 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](OCC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507640567 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C=CCCCCn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1507936985 JTFWRFXEBNSTEX-QHCPKHFHSA-N 462.595 1.460 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1508071016 HQHNLWVGROBMDF-UHFFFAOYSA-N 494.581 1.688 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1nccs1 1508086551 MHEIPMYSVKEGJO-UHFFFAOYSA-N 450.528 1.587 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1508095822 WHZZJFRCMSDPEY-INIZCTEOSA-N 461.567 1.148 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OC(C)(C)C)CC1 1508129059 ADKYGNJKUCMWEW-OAHLLOKOSA-N 477.653 1.273 30 10 JDEE CC(=O)N1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 1508220317 DMEOWHPXAYKCQO-CYFREDJKSA-N 465.558 1.689 30 10 JDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H](C)N1CCN(CC)CC1 1513917186 ICGAWQVUXZOUTN-SFHVURJKSA-N 454.627 1.107 30 10 JDEE C#CCN(C(=O)[C@@H](Cc1cccc(OC)c1)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1528600286 ZQDNXSVJYCGPEN-PKOBYXMFSA-N 450.557 1.780 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CC2(O)CCS(=O)(=O)CC2)c1 1539038708 TXAXQBRRIDYFKR-UHFFFAOYSA-N 459.572 1.397 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1539211173 ITCPAWKEYVZDNG-GOSISDBHSA-N 454.556 1.557 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539211339 HTYRXQQTWIYPBY-SFTDATJTSA-N 452.584 1.784 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCCC)c1 1539265450 GCSFEPFIVWXZOR-FQEVSTJZSA-N 453.568 1.441 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1539291414 PUJHGSQWYQZTFE-WOJBJXKFSA-N 495.609 1.593 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1539315390 LEASLVZDRZVTFL-BVZFJXPGSA-N 460.538 1.678 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CN(C)C)c1 1539325230 CUBOTBQGWJMYMW-QFIPXVFZSA-N 484.626 1.184 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(F)(F)F 1539326127 SLZLMSFKVSJDHA-OAHLLOKOSA-N 461.510 1.662 30 10 JDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCc2nccn2C1 1539420976 LROIOBUGHPXPJF-KRWDZBQOSA-N 453.572 1.815 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[C@@H]2OC)CC1 1539489620 VGFORMNAJAPCRJ-RTWAWAEBSA-N 453.591 1.921 30 10 JDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1539682161 OQTPXAPBSRZLKI-UHFFFAOYSA-N 452.559 1.990 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1539683096 AHCNJAPICFYLKA-MRXNPFEDSA-N 467.617 1.907 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1539688924 WPPGWWYVQBLEMA-HXUWFJFHSA-N 472.615 1.668 30 10 JDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1540027236 TWXADFIBUKJOFI-WIYYLYMNSA-N 456.595 1.260 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1540879723 MGVUWXZSWWXGAL-AOMKIAJQSA-N 474.587 1.360 30 10 JDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1540910297 FCPKLLPEVICPMM-UHFFFAOYSA-N 492.671 1.478 30 10 JDEE C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)O)CC1 1541121060 BMMUEIPQOJKCTH-GOSISDBHSA-N 451.575 1.721 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCC2)nc1 1555557699 AKDXOEHCRXQITO-LJQANCHMSA-N 473.603 1.590 30 10 JDEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1555814971 HMTJVCQVOMABCB-QGZVFWFLSA-N 492.627 1.160 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1 1557352376 PWXJLUWBVSQCRE-GOTSBHOMSA-N 453.564 1.714 30 10 JDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)C(=O)OCC 1561828474 PBUAACDMIBYRKY-AWEZNQCLSA-N 450.966 1.824 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1587555099 CQMRJJGHTLZPHB-IRXDYDNUSA-N 460.546 1.884 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588040273 LENJTMUZQROZKK-NRFANRHFSA-N 480.594 1.846 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccnc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1588053324 CKHORTIZDOAFFI-UXHICEINSA-N 489.598 1.615 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1588060075 YVEIHFWWMYXQBP-HZAQMHFWSA-N 460.625 1.715 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)s1 1588138452 CZNJKWKREBERPM-INIZCTEOSA-N 468.004 1.641 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCOC[C@@H]2C)CC1 1588733065 LOPVNDLHMAADJQ-IBGZPJMESA-N 486.020 1.337 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCNS(=O)(=O)CC)CC1 1588762573 LJCLGFKTPVPKMH-UHFFFAOYSA-N 468.587 1.030 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)Oc2ccccc2OC)CC1 1588877096 VEGHRONZYOQGFE-IBGZPJMESA-N 494.596 1.956 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1588930484 XKONGVWSIMQUHU-FPOVZHCZSA-N 456.591 1.744 30 10 JDEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1595330146 KQXUQQJEQMJYFR-CYBMUJFWSA-N 460.340 1.764 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1595529833 JIILXQRKTMYOQO-CALCHBBNSA-N 456.551 1.284 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCO[C@@H](C)C1 1595765894 JIHALAYYIWNDKU-KRWDZBQOSA-N 497.643 1.411 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2csc(C)n2)CC1 1595823815 SQESPKQEPSNMNX-UHFFFAOYSA-N 493.659 1.088 30 10 JDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)(C)C)CC1 1617356320 FCMYTMUTPLPYCY-UHFFFAOYSA-N 487.630 1.887 30 10 JDEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1620162109 HYZLXASLBWQRMM-HXUWFJFHSA-N 472.615 1.800 30 10 JDEE Cc1cc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)ccc1N1CCOCC1=O 1645884474 BJSJWVUNJFJZHI-OAHLLOKOSA-N 456.524 1.814 30 10 JDEE C#CC[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 1653096849 SUIIOGLPLBCNBC-OAQYLSRUSA-N 456.524 1.782 30 10 JDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1660940408 OHYFSMLITKMECT-INIZCTEOSA-N 451.611 1.238 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)CC1 1682753428 RINNGKOADUBVLB-UHFFFAOYSA-N 452.421 1.835 30 10 JDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1689933221 FCZSAUNBIBFISM-UHFFFAOYSA-N 497.625 1.844 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCOCC(F)(F)C(F)F)[C@H]1CCS(=O)(=O)C1 1689985886 DRHCGPNIOMBVDV-AWEZNQCLSA-N 475.468 1.884 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O)[C@H]1CCS(=O)(=O)C1 1689986526 RRKJDPHLBFFZLU-QUCCMNQESA-N 498.584 1.394 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689988991 ZWRQXMCYTRLKHR-MJGOQNOKSA-N 457.604 1.482 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1COCCO1 1690101168 QRSCYLWBPGTTAA-GOSISDBHSA-N 466.542 1.566 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccccc2CN2CCOCC2)CC1 1690110740 XXXQZHNOPXVYIJ-UHFFFAOYSA-N 493.656 1.832 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](CC)Oc2cccc(F)c2)CC1 1690124720 SDEQTVDHDBEOIR-UYAOXDASSA-N 475.590 1.932 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC(=O)NC)CC1 1690138266 XFVCPQBGIZOUNG-UHFFFAOYSA-N 476.379 1.148 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1F 1690596881 COSYITLXLJZZCY-IBGZPJMESA-N 465.551 1.985 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@H](C(=O)NC)C1 1690663054 KSELAKZFQFEKEZ-ZBFHGGJFSA-N 458.588 1.385 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1690676709 BCJNJZWMOBWFRJ-HOYKHHGWSA-N 471.558 1.942 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C)CC1 1690682464 PAWQVPBVMIQJOY-IBGZPJMESA-N 467.574 1.053 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN(C)C(=O)OC(C)(C)C)C1 1690685891 FONZDUWQSDAITK-HZPDHXFCSA-N 472.612 1.537 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1690731277 GPKZPCWRTJWGDH-QXAKKESOSA-N 467.636 1.855 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCCN1CCCO 1705491178 ZHMVUUWOHWWJRS-RBUKOAKNSA-N 463.586 1.980 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1705567922 CQMMJBJZSAFOMS-TZIWHRDSSA-N 469.567 1.925 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1705569392 GRACTYYYGQQWMW-LJQANCHMSA-N 470.599 1.816 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1705582612 FMAJDGLMRVAHTH-PKTZIBPZSA-N 465.623 1.818 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCNC(=O)c2cccc(O)c2)CC1 1705643699 PHZLFKYFFHYTHL-UNMCSNQZSA-N 482.585 1.283 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1705652714 KTGZIMBCCWYCDI-UHFFFAOYSA-N 450.572 1.474 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1705935049 FNLYCTXYSWWPGR-UHFFFAOYSA-N 452.625 1.804 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1705937409 SOPQMDCWGRCYAJ-INIZCTEOSA-N 472.537 1.938 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](C)Oc1cccc(F)c1 1706779033 FYXNVVMAHDXLJD-BIENJYKASA-N 454.503 1.937 30 10 JDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1710880830 DKLOYRKUTZLZOW-FQEVSTJZSA-N 488.614 1.322 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722362314 SUDBKAHAGBPPBA-NFBKMPQASA-N 451.552 1.875 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722369933 IRWCLPHXIASIAU-LJQANCHMSA-N 473.599 1.564 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(N3CCOC3=O)cc2)CC1 1722431544 QOGWZBNRMZPUQG-LJQANCHMSA-N 468.558 1.762 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cccc(CN3CCO[C@H](C)C3)c2)CC1 1722444938 PKZJXRARCLQTHD-LJQANCHMSA-N 450.587 1.821 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H](O)C1 1722473276 BYLUQWJARMESCZ-OEMYIYORSA-N 451.593 1.154 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1722503446 KZZJRIUCLASCNU-XMSQKQJNSA-N 491.614 1.929 30 10 JDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1722543525 QOHKKAJEOPZLKF-IRXDYDNUSA-N 478.015 1.385 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1722730190 KZLFFDGOQFJNPZ-HRAATJIYSA-N 495.627 1.255 30 10 JDEE Cc1nn(Cc2ccccc2)c(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1725884707 HEYKDHZDFDXPGY-FXAWDEMLSA-N 498.613 1.527 30 10 JDEE CCS(=O)(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1729224787 DJPZBYRKSIPUCR-GOSISDBHSA-N 474.587 1.641 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nc2ccccc2[nH]1 1740549651 GKGQRKNCDTZBSR-VQIMIIECSA-N 471.587 1.578 30 10 JDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCN(c2ccncc2)CC1 1740642303 USSCOWUFMDXXIB-UHFFFAOYSA-N 471.613 1.820 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)COCCO1 1740677625 YCTJHUZDKZCPNM-PGRDOPGGSA-N 462.547 1.765 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCS(=O)(=O)C1 1740686948 YQVNOVMKUKARDP-FXAWDEMLSA-N 460.556 1.701 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)CCOC)CC1 1740701206 XYUUVSPMMOARDE-UHFFFAOYSA-N 467.574 1.954 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc([C@@H](C)O)cc1 1740732116 RQXCWFWXNJHYCW-HCLVMJGWSA-N 473.599 1.705 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1N1CCOCC1 1740773815 DSYKWSBQTOKZHW-LJQANCHMSA-N 460.604 1.863 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740810201 AGOFVCQISHLIKT-CQSZACIVSA-N 466.029 1.183 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1740993122 YRYVXDYBNRWWEJ-HXUWFJFHSA-N 452.669 1.682 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1748639307 FLJNGHKWZLLZTB-GVDBMIGSSA-N 468.624 1.993 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCS(=O)(=O)CC1 1748673240 DMXRGIGGNWLZBU-FUHWJXTLSA-N 481.619 1.869 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748820431 BPOWNECQKQNRMZ-GGAORHGYSA-N 485.654 1.801 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1748979152 VSESOQHPIPEEEH-VWLOTQADSA-N 485.585 1.760 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(COCC)cc2)CC1 1748989560 NHCWGIVBDIIPCN-NRFANRHFSA-N 457.600 1.520 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC 1749033010 XPRAUPVDQSKQKT-OAHLLOKOSA-N 453.572 1.377 30 10 JDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1749038481 KJGSFJYQKWJYCR-QZTJIDSGSA-N 455.650 1.994 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1749213914 RUXZZRJBCHYSCP-MRXNPFEDSA-N 471.628 1.111 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2cc(CO)nn2)C1 1749696223 QQEJTJVVRRYTOP-INIZCTEOSA-N 477.367 1.991 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1749877224 QYGKUNGRDTWRTQ-FCQUAONHSA-N 479.541 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463.648 1.798 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1cccc(C)c1 1286408648 FCEUMMNCMVIOID-PZJWPPBQSA-N 455.584 1.796 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1286495877 HKDLNVKKNPXKMQ-UHFFFAOYSA-N 473.566 1.885 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCC[C@@H]1C 1286522141 HVBUJVLEBWCAOO-PZBISTMVSA-N 451.593 1.154 30 10 JDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1286601395 KYVFLBUQUGFFPP-UHFFFAOYSA-N 475.638 1.534 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1286794871 BEFXIBHPUDRNTL-QGTPRVQTSA-N 477.543 1.616 30 10 JDEE C[C@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)C[C@@H](C)O1 1291289046 CRMFZQUXRUEYOW-HDICACEKSA-N 458.588 1.551 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1oc(CCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1300480190 ZECZOIOFMJZJJD-QGZVFWFLSA-N 474.587 1.438 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1300489027 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GCTUJTRJWQABIV-SFHVURJKSA-N 465.601 1.655 30 10 JDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccccn2)CC1 1314529060 BVPJYZFNPZNSHS-UHFFFAOYSA-N 451.556 1.973 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2CCNc2nccc(C(F)(F)F)n2)cc1 1316529238 CACCLXVHQIVPJV-UHFFFAOYSA-N 457.420 1.674 30 10 JDEE N#Cc1ccc(N2CCN(c3nnc(-c4cccnc4)n3CC(=O)NCC(F)(F)F)CC2)nc1 1316533733 BXCNOHPHWTXVPT-UHFFFAOYSA-N 471.447 1.612 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1358959984 UFGFROZEENEPHM-AEFFLSMTSA-N 476.555 1.004 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(Cl)ccc1OC)[C@H]1CCS(=O)(=O)C1 1358961952 HNFDSGHWFHKTOM-DLBZAZTESA-N 477.974 1.566 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358966435 OYTYBJPDWGCAQK-HXUWFJFHSA-N 485.610 1.627 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2OCC(C)C)CC1 1359029309 UNANYKQPQQGDPS-LJQANCHMSA-N 474.631 1.727 30 10 JDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)NCC)CC1 1359129395 AMPUYNSNHMLDQX-UHFFFAOYSA-N 470.574 1.567 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1359291243 JJBUOUPHRCSZSZ-INIZCTEOSA-N 484.561 1.673 30 10 JDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1360295557 GNLSQRYAPSCCLL-UZUQRXQVSA-N 454.531 1.638 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cn(C)nc1-c1ccccc1 1360680685 HDXNIMVTYIOPKY-YCRPNKLZSA-N 472.550 1.779 30 10 JDEE N#C[C@@H]1CSCCN1C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1458379357 FDNOVLCYKKNSNK-CQSZACIVSA-N 450.542 1.237 30 10 JDEE CCOc1cc(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)ccc1OC 1502778154 HETWOOKJIDPEKL-RTBURBONSA-N 489.598 1.949 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCS(=O)(=O)N1CCSCC1 1507520935 IIQDKODCXOAWDI-INIZCTEOSA-N 479.628 1.799 30 10 JDEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507560471 JQXBZCZHFWXQSI-UHFFFAOYSA-N 490.568 1.571 30 10 JDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 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CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1508240218 DOYSFQXYXCAYQM-HXUWFJFHSA-N 473.528 1.841 30 10 JDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 1520860797 FHKXRXGHTIWUOB-MRXNPFEDSA-N 451.520 1.493 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(CCC(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1539222723 XENLUCLYDDUNRA-RTWAWAEBSA-N 490.674 1.614 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(-c2ccccc2)no1 1539416859 TZCWKLNEBNTVQF-SFHVURJKSA-N 455.540 1.970 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1539453353 IKHGVEVSVCYRRE-OAQYLSRUSA-N 492.546 1.896 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@@H]2CCCCO2)CC1 1539488554 AVTIUEXMQZDUTK-ACRUOGEOSA-N 459.591 1.927 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539505483 CIYYPTYAHCOSKM-SFHVURJKSA-N 484.582 1.801 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1539683132 BAWNDFFVTIFGCD-IRXDYDNUSA-N 452.625 1.939 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1539688858 RUELXGODDMWIKM-NRFANRHFSA-N 460.560 1.802 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1539706592 LWJVYCAARRFDGD-TZIWHRDSSA-N 474.631 1.898 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1539917077 QZHNJPIIVYHYJI-RBUKOAKNSA-N 496.678 1.954 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)C1=O 1540066313 NXSWCSBJRYTINP-UHFFFAOYSA-N 451.483 1.399 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](N2CCCC2)C1 1540864637 GUXSLMDVIFLGHJ-LJQANCHMSA-N 472.615 1.715 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1540875178 CZXPHENTFPMMKZ-OAHLLOKOSA-N 457.560 1.095 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1540880170 ZPIIKQLMVJJXBW-UHFFFAOYSA-N 495.628 1.774 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCC)C1 1540917358 ULGQSWWWCDLFIJ-DLBZAZTESA-N 459.638 1.536 30 10 JDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)C1 1541051747 CVFXOWOCJNRLAI-OAQYLSRUSA-N 451.575 1.892 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCCc1cnn(C)c1 1541910866 FFXCKLPWJLMNKV-MRXNPFEDSA-N 456.576 1.763 30 10 JDEE CCN1CCN([C@@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1547703882 CGOJVFRPAOPSET-UGKGYDQZSA-N 469.590 1.620 30 10 JDEE N#Cc1ccc(N2CCC3(CC2)CN(C(=O)CN2CCCC2=O)C[C@@H]3C(N)=O)cc1C(F)(F)F 1548375162 DUMXFIRCXLXNAZ-GOSISDBHSA-N 477.487 1.730 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCCCO2)C1 1555811527 GELYOLQJLQUZAW-ROUUACIJSA-N 452.581 1.310 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H]3COC[C@@]3(C(=O)OC(C)(C)C)C2)s1 1557424843 PFAJRGASNYYHKP-XOBRGWDASA-N 456.586 1.572 30 10 JDEE C#C[C@H](NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)c1ccc(Cl)cc1F 1568896652 ADPKBHLPKCLGIS-KRWDZBQOSA-N 458.920 1.652 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2ncccn2)CC1 1587823498 SLUDCKSMUNATJO-UHFFFAOYSA-N 480.598 1.725 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1588029632 JQJVBGLJCVMAFJ-ZWKOTPCHSA-N 454.556 1.908 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 1588046082 WYOQQJQIWWCWNQ-KRWDZBQOSA-N 483.550 1.490 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1588064172 CBZVPQBKZDEXEN-LJQANCHMSA-N 451.556 1.232 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588064556 KLBLQGDUANGWTN-YLJYHZDGSA-N 451.618 1.668 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588074548 OKFYAMBIGDKNFI-YFNVTMOMSA-N 493.674 1.749 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(-n2cccn2)cc1 1588083810 KCWPNXKEFWEMPO-GOSISDBHSA-N 451.556 1.390 30 10 JDEE C#CCN(CC#CC)c1nnc(CSc2ccccc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1588254029 NDZVJJFUOZZQOT-QFIPXVFZSA-N 474.608 1.592 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2CCCCCC2=O)CC1 1588930443 WIXFOFMFAOXVHR-NRFANRHFSA-N 470.618 1.931 30 10 JDEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C(N)=O)CC1 1589053473 OPDVPBYQBZQYBJ-UHFFFAOYSA-N 465.583 1.743 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(NS(C)(=O)=O)CC1 1589481855 CXERBIYEEUCABH-APWZRJJASA-N 482.651 1.696 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1589708624 QYSWOSIZQAUOGS-GOSISDBHSA-N 490.630 1.754 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(=O)N1CCOCC1 1593833723 CAVQJYMTKMFBHB-UHFFFAOYSA-N 453.952 1.396 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1595477837 ZZQCGJLRPYAIDQ-ZWKOTPCHSA-N 468.558 1.930 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1595507136 XLEHVMMPNZMQRX-UHFFFAOYSA-N 480.964 1.536 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)O[C@H](C)C1 1595537391 QIUAHAGXHFMATJ-IAGOWNOFSA-N 465.558 1.981 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1595607266 CMUYNKGFKURENI-JZXOWHBKSA-N 462.576 1.647 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1595649715 UGBGSXXKJZYPKQ-NVXWUHKLSA-N 483.616 1.125 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1595820948 ADGMUGKSHMFOGZ-JPYJTQIMSA-N 492.598 1.851 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCCC2=O)CCO1 1596672958 BZNCDNRPMPCQGB-JOCHJYFZSA-N 495.584 1.473 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@H]1CCOC1 1611700541 FNNVZRYAVSWWMH-MSOLQXFVSA-N 473.603 1.513 30 10 JDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)c1 1642564003 NSLRKVQYSCKFSZ-NRFANRHFSA-N 453.930 1.814 30 10 JDEE C=CCOC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br)C(=O)OC 1663617744 MVFQFRUMMNKAFB-LLVKDONJSA-N 454.270 1.397 30 10 JDEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1663717212 DXZJWXOSQDXQRH-NVXWUHKLSA-N 455.585 1.666 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](C)Oc2cccc(Br)c2)CC1 1685098045 WYLFIBXDKZCYJF-AWEZNQCLSA-N 459.366 1.011 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CSC)c1 1689852150 BEMPIQSWKAYRIU-LPHOPBHVSA-N 463.629 1.980 30 10 JDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCN(C(C)=O)CC1 1689949608 LBWAXMYSKGOVNU-UHFFFAOYSA-N 456.547 1.204 30 10 JDEE C#CCN(c1nnc(CSc2ccccc2OC)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1689998741 VDVQJFCLHHZLSE-INIZCTEOSA-N 477.612 1.342 30 10 JDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)NC(C)C 1690076813 BOMJOKGTORQKNQ-UHFFFAOYSA-N 460.608 1.239 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1690124191 HCRAWJIXXVZMSK-LJQANCHMSA-N 472.615 1.556 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCc2cnn(C)n2)CC1 1690124275 IIRNSTDTLMUWNE-FQEVSTJZSA-N 497.648 1.909 30 10 JDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)c2ccco2)CC1 1690126154 UJZMWPCOOIFDFC-UHFFFAOYSA-N 454.481 1.925 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(OCC)c2)CC1 1690145995 CLIVTMOPKNHYOT-OAQYLSRUSA-N 499.637 1.787 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@](C)(O)CCOC)CC1 1690154542 QTNLETIYDSJBGO-FHAGJXEFSA-N 475.634 1.950 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)N2CCC(OC)CC2)CC1 1690364236 MESUDIHVXSMSGF-QGZVFWFLSA-N 454.641 1.934 30 10 JDEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC)C(=O)C1)c1ccccc1 1690444153 BPJUZQNIBCTBBC-WOJBJXKFSA-N 452.559 1.884 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCS[C@@H](C)C1 1690662237 VYEXTHDWSJAQTJ-AWEZNQCLSA-N 463.633 1.791 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)[C@@H](F)C1 1690674846 HJSOIMUKBKAPOU-CTNGQTDRSA-N 455.582 1.739 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1690719235 IPYQPABNOLFQGJ-RTBURBONSA-N 459.572 1.802 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690723205 LCQUUIMVHADYQJ-DNVCBOLYSA-N 473.555 1.387 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC(NC(C)=O)CC1 1690729811 SIJYEKJCSQCFBC-UHFFFAOYSA-N 465.551 1.702 30 10 JDEE CC(C)(Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1691336477 GEPCJKJRLZVJOO-HNNXBMFYSA-N 464.368 1.875 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H]1CCCN1CCCO 1692538673 FFLZPXXLEUYBCE-IBGZPJMESA-N 498.607 1.600 30 10 JDEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1695587968 BLXLCLRSQJHYHB-FQRUVTKNSA-N 495.628 1.737 30 10 JDEE CCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN(C)C(C)C)c2ccccc2c1=O 1695905547 HEAUNIXYWYTCEF-KRWDZBQOSA-N 450.547 1.744 30 10 JDEE COCCN(C)CCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2C#N)CC1 1698025015 DWAFODGNUWFXRA-UHFFFAOYSA-N 463.590 1.845 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)OCCc2sccc21 1705612300 DQCJKYWEXZACAF-UTKZUKDTSA-N 479.628 1.620 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccn2)CCC1 1705612540 ISCPILQIEZWLHI-SFHVURJKSA-N 458.588 1.587 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCNS(C)(=O)=O)CC1 1705635284 VNEQVOBTHXCCQV-UHFFFAOYSA-N 467.393 1.012 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCNC(=O)c2ccccc2F)CC1 1705635480 ZRZVAQMDGLZYKB-VWLOTQADSA-N 484.576 1.643 30 10 JDEE Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)N(C)C)cc1C 1707542647 HUFMJWGLCYXVAF-HXUWFJFHSA-N 450.540 1.807 30 10 JDEE CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N)N1CCCC1 1708796810 CGHGGVNIITWMMN-KZNAEPCWSA-N 453.613 1.081 30 10 JDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCn2cc(Br)cn2)CCOC1 1710482153 BBJUFQAJDKSCFN-LPHOPBHVSA-N 480.367 1.708 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1722275490 DWAKNERHXVHULZ-MHECFPHRSA-N 455.559 1.903 30 10 JDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(CO)c1 1722424932 FNWLXEDAIWSLAO-UHFFFAOYSA-N 468.583 1.865 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1722457948 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C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1740534382 YLODVPCTSWTNKN-SZMVWBNQSA-N 464.592 1.321 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCOc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1740625363 FHIZQXVFJXQNIM-RBUKOAKNSA-N 474.583 1.886 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1740629327 JPJAVWYPYSTBCD-OTWHNJEPSA-N 464.613 1.933 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCN1S(C)(=O)=O 1740680699 LRIPNBJCDOBNRQ-GOSISDBHSA-N 462.532 1.363 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2([S@](C)=O)CCC2)CC1 1740701198 XWKFFHKMRVEUFM-UMSFTDKQSA-N 483.598 1.192 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCc2cnn(C)c2)CC1 1740703591 XZPLPNIHLBDZOH-VWLOTQADSA-N 483.617 1.651 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cn3ccccc3n2)CC1 1740868717 QUEBGBUQFRAWLC-GOSISDBHSA-N 472.619 1.824 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(CC)nn(C)c1OC)C1CC1 1740911211 XXSUHOWFXNPOIM-GOSISDBHSA-N 479.607 1.119 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1740959966 IAXDDTDULJFWBI-KRWDZBQOSA-N 459.572 1.527 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](C)(C(N)=O)C2)cc1 1740967750 PDZIRZKTQBGTDK-JTSKRJEESA-N 459.572 1.495 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H]2C[C@H](F)C2)C1 1740980462 KNIOJUZGTSZMDK-TVFCKZIOSA-N 457.572 1.531 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C)C(=O)[C@H]1C 1740988322 AMFVAKVUEZBKOK-CQSZACIVSA-N 467.979 1.875 30 10 JDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1741090169 CSIVWTIOADLOKT-WOJBJXKFSA-N 470.599 1.994 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1748807677 BAUXQNYYOXFLDO-GOSISDBHSA-N 480.612 1.402 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1748809493 UKLHCTNTPVHSGW-DHJUGAMNSA-N 458.584 1.674 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1748867424 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C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccnc(-n3cccn3)c2)CC1 1722574571 NIWIOVZRCWCUMM-MRXNPFEDSA-N 456.576 1.920 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC(NS(C)(=O)=O)CC1 1722725791 SCPJJYXNTSPFCH-UHFFFAOYSA-N 488.035 1.717 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1722783929 SQAUXZDBTROVLW-VZCXRCSSSA-N 469.933 1.793 30 10 JDEE CC(C)NC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1723630533 AODGNBYQYVMOLC-WOJBJXKFSA-N 486.598 1.544 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1coc(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 1740615946 OLMMDLHQKBTWJL-IBGZPJMESA-N 482.566 1.746 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1740617594 UBSXVSUWVYZMTF-UTKZUKDTSA-N 463.560 1.290 30 10 JDEE C#CCN(c1nnc(C2CC2)n1CCc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1740622819 JAFQEHNLWPUBLK-GOSISDBHSA-N 462.597 1.428 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1740623539 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C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1286384444 QVFLNTGHLYESIA-HYJWCJBQSA-N 492.623 1.500 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1286387577 GNJCTYBOVZQCNK-SIKLNZKXSA-N 455.540 1.249 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1ccc(C(N)=O)nc1)[C@H]1CCS(=O)(=O)C1 1286387923 WRDLHEPBZXJSGX-SFHVURJKSA-N 464.551 1.422 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1286390508 BLUPYFZCXRGOOX-LJQANCHMSA-N 473.628 1.627 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1286393238 QFRDBXMZHPUERD-SFHVURJKSA-N 454.556 1.798 30 10 JDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1286400305 BRKKVOYTENUDKO-XMMPIXPASA-N 470.595 1.984 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(OC)CCOC1 1286401464 QXPWMDWEAANCAW-JOCHJYFZSA-N 456.572 1.425 30 10 JDEE C#CCN(CCOC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286469963 NMINKPXLMHXYHK-FQEVSTJZSA-N 485.031 1.859 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NCCOC)CC1 1286553849 GFXHBVXPGBCBIA-OFNKIYASSA-N 483.617 1.514 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCC)C1 1286554122 GPMZGXVHPYGIHB-WCIQWLHISA-N 483.635 1.598 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CC(OCC)C1 1286581989 PLGDRXDZVZOOOA-UDTLNKQYSA-N 481.663 1.853 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1286587310 HBQZZVLQQKDBCP-GOSISDBHSA-N 474.631 1.961 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1286628447 AROYDDHOAAKQPZ-MOPGFXCFSA-N 498.005 1.950 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](CC)C1 1286791166 OEKBIWASSXGEDD-SJORKVTESA-N 464.567 1.504 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)s1 1294631262 OCEBBVRESYEAFQ-HNNXBMFYSA-N 455.508 1.955 30 10 JDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1294911512 BCFRBHMUGDSODV-KRWDZBQOSA-N 460.560 1.268 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300391245 KOMPLIRADJSCQH-XXBNENTESA-N 498.653 1.751 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1300479880 UEUXBMSFQSEJPD-INIZCTEOSA-N 479.990 1.753 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc2ncccc2c1)[C@@H]1CCS(=O)(=O)C1 1300479935 VOFXSKYHPSBWDF-LJQANCHMSA-N 466.567 1.640 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1300480183 YZCQCMULYJFYQJ-WOJBJXKFSA-N 487.582 1.189 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1300484217 RUQVZEVNVGXWPA-FGZHOGPDSA-N 482.610 1.290 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccccc1OCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1300488842 WWYZDXKFISZMQT-OAQYLSRUSA-N 496.637 1.899 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1300684023 WEFWVZMQISSDRK-VQIMIIECSA-N 464.567 1.170 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(C)no2)C1 1300972684 ORBBKDJBXZFLRF-ZBFHGGJFSA-N 453.569 1.556 30 10 JDEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1301258519 UZDWUTQQMPTJET-KURKYZTESA-N 465.551 1.741 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1301576657 GUVJRTDBFOTXKD-UHFFFAOYSA-N 491.614 1.868 30 10 JDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccnc2OCC(F)F)CCOC1 1314137530 BCLSNGHCTQELNZ-IIBYNOLFSA-N 464.473 1.746 30 10 JDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)CC1 1358929847 JGWDKUAGIPEJHX-LJQANCHMSA-N 462.595 1.768 30 10 JDEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1358934206 TYIRCPUGNREQRX-IBGZPJMESA-N 464.570 1.715 30 10 JDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](N1CCOCC1)C(F)(F)F 1358982138 LUDAOJAHYXWNBF-KRWDZBQOSA-N 480.516 1.606 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N(C)C 1358987104 SDNCCWCVKILJNU-UHFFFAOYSA-N 455.588 1.488 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N(C)C 1359024435 MSZOSPMQSQDOHT-SFHVURJKSA-N 462.595 1.957 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCCN2CCC[C@H](C)C2)CC1 1359029106 OPTZQSJCLIXSKO-VQTJNVASSA-N 465.668 1.156 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1359046756 DZSMCEXSJQKBKE-MJGOQNOKSA-N 484.626 1.787 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(CCC)C1 1359070044 DHUGSFNNZOVCLC-XQBPLPMBSA-N 464.636 1.335 30 10 JDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359076087 QHJNALJVOQNDHX-YJBOKZPZSA-N 494.438 1.412 30 10 JDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1359131629 ZSMPZARIURYYAV-UHFFFAOYSA-N 468.606 1.852 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1359302772 SRMDYXHGKUTYCO-UHFFFAOYSA-N 492.559 1.466 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1359332337 VGFAMXPMRCEMIQ-UHFFFAOYSA-N 459.572 1.814 30 10 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MILZGXRLWYKSJW-PMACEKPBSA-N 451.637 1.634 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC(=O)NCc2ccco2)CC1 1507717941 JIEGFDHIDNHGEM-UHFFFAOYSA-N 494.552 1.636 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1507737699 DRKAMDHLBZWYOL-MRXNPFEDSA-N 475.475 1.657 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1507746356 POWGETLFWNMKSP-GOSISDBHSA-N 492.671 1.980 30 10 JDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1507842655 KGZKOTAMFHKJIU-UHFFFAOYSA-N 451.535 1.092 30 10 JDEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCNS(=O)(=O)CC)CC1 1507878557 MQRJEKFSSAQSDD-UHFFFAOYSA-N 457.564 1.407 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@H]1C)C(C)C 1508013824 RHKXNSOBQRCGHK-HSALFYBXSA-N 478.663 1.546 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1508070856 FCVZBACMQBXWOH-HXUWFJFHSA-N 495.584 1.277 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(Cn2ccnn2)CC1 1508071329 DBKOYQJRUHAVMU-UHFFFAOYSA-N 466.546 1.773 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1508086320 NCBZOYUUCQNIRG-UHFFFAOYSA-N 489.527 1.024 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1508138966 BGKLHIPVQNGFIC-UHFFFAOYSA-N 487.630 1.955 30 10 JDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1515392456 CJCDJAMZPZDJSK-KRWDZBQOSA-N 451.574 1.265 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 1539094490 QMLBLYHYMVAEEJ-NRSPTQNISA-N 456.616 1.870 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNc1ncc(Cl)cc1Cl 1539178917 MKIOVBZCUIGPRW-HNNXBMFYSA-N 488.401 1.494 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCN1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1539201918 CSCUNRNDHDWCMH-NRFANRHFSA-N 484.626 1.101 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)c(F)c1 1539265441 GBNHVPKVNOWWGO-GOSISDBHSA-N 457.531 1.131 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC[C@@H]1CC 1539325063 AZCMYVHGSAUWTB-SFTDATJTSA-N 476.647 1.338 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1nccc(C(F)(F)F)n1 1539391574 FKVJKKPCZNZWHY-UHFFFAOYSA-N 451.453 1.652 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCN(CC)S(C)(=O)=O)CC1 1539452501 ULXKHNUOBKFULP-OAQYLSRUSA-N 488.614 1.217 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2CCOCC2)CC1 1539487896 AQJVSELGLAESHB-UHFFFAOYSA-N 470.599 1.662 30 10 JDEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539735149 GGGXZPLDLZZWTL-UHFFFAOYSA-N 473.965 1.513 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1539751010 FPYADFPVZLAXAO-RBUKOAKNSA-N 455.625 1.873 30 10 JDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539759150 XJAZCSUECQAXQW-FQEVSTJZSA-N 470.578 1.499 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCOCC3)cc2)CC1 1539828654 NFKBGWASEIAVIR-GOSISDBHSA-N 460.604 1.930 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1540858332 RDYBECDMMILQCI-QGZVFWFLSA-N 472.550 1.359 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1540916918 JUUJRGUNHQGWRW-UXHICEINSA-N 482.720 1.704 30 10 JDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(OCCN(C)C)c2)CCOC1 1547918426 FEOBMRQHSZTAMB-ZJSXRUAMSA-N 470.574 1.648 30 10 JDEE CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1554136668 CFPHUHWGIDQQGF-UHFFFAOYSA-N 489.646 1.503 30 10 JDEE COc1cc(F)cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)c1 1554778679 BXXACGVMDOTKKB-RDTXWAMCSA-N 466.539 1.403 30 10 JDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)C[C@@H](C)O1 1555385034 AYHLGCSXLHCDHG-VQIMIIECSA-N 459.572 1.882 30 10 JDEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1555803115 DBGWAEBYLQUKKN-UHFFFAOYSA-N 499.641 1.386 30 10 JDEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)nn2)C1 1565718191 AZXWHRPZTUPZRL-SFHVURJKSA-N 451.531 1.920 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccncc2)c1 1587683195 DNIJOBKDUOUGEH-QGZVFWFLSA-N 481.582 1.582 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1588069351 MDNJZFAYIOUKAP-IEBWSBKVSA-N 480.974 1.553 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1c(CC)nn(C)c1OC 1588099442 NAVJQMQPNSVURH-UHFFFAOYSA-N 466.567 1.774 30 10 JDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC[C@H](C(F)F)N1CCOCC1 1588250816 IYAIRLZEDBKECD-HXUWFJFHSA-N 459.545 1.959 30 10 JDEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1593712260 WXEIIIJKGRNQEK-ZDUSSCGKSA-N 495.403 1.509 30 10 JDEE C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1593889202 DCPKPYTUQVPEJL-UHFFFAOYSA-N 474.928 1.227 30 10 JDEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1594473691 XISDMAFKSZIDOM-UHFFFAOYSA-N 471.591 1.605 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1594625540 GTIAYLVIAUBTBI-WFXMLNOXSA-N 469.608 1.352 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1595218814 OKCIABBCVLAYIY-NRFANRHFSA-N 485.658 1.944 30 10 JDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2csc(COC)n2)CC1 1619548128 HLXIWRSKOCJJBG-UHFFFAOYSA-N 467.555 1.763 30 10 JDEE C#CCCCn1c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1689941645 SRMCFWJBGLSXAD-NQIIRXRSSA-N 451.593 1.348 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccnc(OCC2CC2)c1)[C@H]1CCS(=O)(=O)C1 1689978593 ZXDPZDKPXBSFTD-IBGZPJMESA-N 486.598 1.275 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1690113540 MKONNQGAYLOFCZ-ZFGGDYGUSA-N 460.623 1.185 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1690113743 SSHCWUZPNWADQH-DVECYGJZSA-N 476.622 1.989 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690159587 GARKGSBPXCNZCG-SFHVURJKSA-N 497.668 1.185 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)[C@@H]1CC 1690250261 FISPMBFTVXUEDD-BXWFABGCSA-N 458.588 1.966 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1690419839 CSFVQRAYKYKVNG-ZFWWWQNUSA-N 453.569 1.760 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(C)cc1)N(C)C 1690527111 JNOOOFGXQVYAAS-UXHICEINSA-N 462.620 1.845 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1690659457 TZFTYNPSAWRKIB-UHFFFAOYSA-N 473.622 1.728 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](C(=O)OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690677482 XVZPBBQVKDDMQU-YESZJQIVSA-N 476.578 1.740 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(C)cc2C1 1690715059 BTKUCQUXMAKQDD-INIZCTEOSA-N 497.643 1.369 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](NC(C)=O)C1 1690725055 DHZKFODZZAFNRF-LJQANCHMSA-N 461.588 1.583 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1705480903 YZIFOGVODBBUKZ-VGSWGCGISA-N 461.588 1.667 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1705562369 AYIJKCUURPZRHO-IBGZPJMESA-N 467.551 1.815 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1705642907 LYGKPULORNMWHC-UHFFFAOYSA-N 473.599 1.446 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(C)cc(OC)c2)CC1 1705644725 AFYPJDAGVHKPFD-KRWDZBQOSA-N 488.614 1.219 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cnn3ccccc23)CC1 1705645539 WYBWYQCELKAOHK-GOSISDBHSA-N 465.558 1.664 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C(C)=O)CC1 1705902521 GLNQBQTWROXAIE-UHFFFAOYSA-N 475.594 1.363 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705905029 GTHDUTJVRCOZKE-FQEVSTJZSA-N 469.565 1.053 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(O)CCS(=O)(=O)C1 1722284357 XAQNYPZCHCQCFL-SGTLLEGYSA-N 471.352 1.854 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CC)C(=O)OC(C)(C)C 1722292845 AYAUOAPSFPHJOH-IRXDYDNUSA-N 484.623 1.326 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCOC2)c1 1722308718 DYHMJPDBYRDCKK-QZTJIDSGSA-N 457.556 1.273 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(C)C)CC1 1722316350 HNJCKFHDQARRLH-IBGZPJMESA-N 452.625 1.381 30 10 JDEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722339312 YSZMIOUPLNMMGP-UHFFFAOYSA-N 450.543 1.506 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(C)cc1OC)[C@H]1CCS(=O)(=O)C1 1722362997 YCVPRTOXXHIEOC-SFHVURJKSA-N 452.540 1.727 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(C)(C)O)c1)[C@H]1CCS(=O)(=O)C1 1722366589 IDLFMPULGZIKEX-RBUKOAKNSA-N 471.583 1.132 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1722441771 UKRLOHQNGYORRZ-MRXNPFEDSA-N 475.594 1.295 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(CC)s1 1722517844 OJIFEVANJXMKKB-CQSZACIVSA-N 455.610 1.476 30 10 JDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(N2CCOCC2)C1)c1ccccc1 1722539594 ULTDREQBTUJLCB-XXBNENTESA-N 474.631 1.903 30 10 JDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cncc3ncnn23)CC1 1722581369 ULNRPJBRLZICGU-UHFFFAOYSA-N 452.567 1.783 30 10 JDEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCS(C)(=O)=O)C1CC1 1722645570 RKTACKSCPKBYCO-UHFFFAOYSA-N 453.590 1.395 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCn2nc(C)nc2C1 1722693587 UEAMEDHPHBVTDL-UHFFFAOYSA-N 487.362 1.939 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1722726853 GFODGNOYVXRYGT-UHFFFAOYSA-N 461.617 1.961 30 10 JDEE CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1723235378 GFTUNRBJOFFYIS-FQEVSTJZSA-N 489.598 1.530 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1729212713 ARITXFZHAITEDD-KRWDZBQOSA-N 475.623 1.450 30 10 JDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(N2CCOCC2)CCSC1 1740612544 CORFIGZFYOCKHB-NRFANRHFSA-N 460.629 1.547 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 1740625014 NGDIVTXQEDQEHC-QGZVFWFLSA-N 463.510 1.354 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740627686 IYKNYQKYGLSTIC-MRXNPFEDSA-N 499.515 1.471 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1CCN(CCN(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1740628521 YMFOKVJUQGWJGH-FGZHOGPDSA-N 492.690 1.420 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)Nc1ccccc1 1740657382 RLBAKOVBDVKERH-HXUWFJFHSA-N 484.582 1.103 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1S(=O)(=O)N(C)C 1740661111 QWWULWXBWDWEMB-UNMCSNQZSA-N 485.610 1.764 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccco2)N(C)C)CC1 1740704946 XLQZLIWYLRDFKU-LJQANCHMSA-N 450.547 1.540 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1740708616 WKAXDFGGPKOGRA-RTBURBONSA-N 456.591 1.572 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@H]1C 1740969469 PDTICHYBSVEJKE-XLIONFOSSA-N 473.599 1.850 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H]1CCOC1 1740988201 WTJBZSMXIWQKBV-INIZCTEOSA-N 468.601 1.422 30 10 JDEE COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)c(OC)n1 1748786607 DHYBIPMFTMFKTL-JLTOFOAXSA-N 463.564 1.479 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCS(=O)(=O)C1 1748945717 YGMFJNIATSNUAN-MJGOQNOKSA-N 459.547 1.833 30 10 JDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)C(C)(C)C 1748959373 QYOABDKWFIVDLV-UHFFFAOYSA-N 475.619 1.487 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1749001094 HYKOLZOQRHYVAS-UNMCSNQZSA-N 481.601 1.899 30 10 JDEE C=C(Cl)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@H](C(=O)NC)C1 1749252728 FXQZWCLFGOCBFD-AWEZNQCLSA-N 467.983 1.250 30 10 JDEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCS(=O)(=O)CC1 1749414884 IGJUJWIILSGXQR-UHFFFAOYSA-N 452.606 1.748 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1749659469 DHDMNLZWDICCNG-UHFFFAOYSA-N 497.600 1.009 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1749670522 SMEUGBXJBPOQGU-INIZCTEOSA-N 489.939 1.286 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1749677734 JENHJGQYUMLSMV-FQEVSTJZSA-N 451.531 1.570 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1749729568 NRFZAQYIHAIASB-QGZVFWFLSA-N 494.618 1.614 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](OC)C1 1749730702 NKTWLVWPTUTOOE-MRXNPFEDSA-N 472.571 1.501 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](CNC(C)=O)C1 1749736942 UFNMURPRFCASOE-GOSISDBHSA-N 463.579 1.961 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cnccc2OC)c1 1760126418 XZCJTIBJQUVXKP-INIZCTEOSA-N 497.581 1.396 30 10 JDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760151897 AGRIDHGHHSRSIQ-SFHVURJKSA-N 463.542 1.430 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCN2CCC[C@H]2C)CC1 1760261236 JBYTYFIVMOHQSH-RTWAWAEBSA-N 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461.526 1.768 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2Cc2nncn2C)CC1 1286471474 KPRLTWWLUBSFJY-GOSISDBHSA-N 450.547 1.749 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1286499766 OJBFAPMXUWNRSO-UHFFFAOYSA-N 479.628 1.800 30 10 JDEE C=C(Br)Cn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286547198 DRYPMMOCPVWBRI-SFHVURJKSA-N 492.440 1.699 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCS(=O)(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286565286 ZZCGLSLTGYHZDA-LQWHRVPQSA-N 454.593 1.535 30 10 JDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1286709846 GQFSAEFBHGMWTA-OAHLLOKOSA-N 458.485 1.717 30 10 JDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCC(F)(F)F 1286718606 PTTTTXYVCYQSRE-UHFFFAOYSA-N 460.482 1.496 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1286784098 WGFVPWVAZXZHAC-RTBURBONSA-N 465.562 1.863 30 10 JDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1288232415 AWOWCKOXULURHV-HXUWFJFHSA-N 464.574 1.084 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C)C1 1297737217 CBAHPDVIKCODOK-KRWDZBQOSA-N 462.576 1.625 30 10 JDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1297969663 ATVCYZJILHQNNY-UHFFFAOYSA-N 479.585 1.760 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1300499495 SRSCVWIXBCDICG-HXUWFJFHSA-N 451.552 1.948 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(OCC=C)cc1)[C@H]1CCS(=O)(=O)C1 1300502364 RZFUKESLUHGRCT-FQEVSTJZSA-N 483.594 1.640 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCC[C@H](C)C2)CC1 1300730543 AJNZAYXGPQHEPE-IBGZPJMESA-N 497.669 1.967 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCSCCCO)CC1 1301124433 IHGBFILKMZOROV-KRWDZBQOSA-N 459.638 1.129 30 10 JDEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1301216719 PZMMLUPPMUOFHI-LJQANCHMSA-N 465.558 1.982 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301481372 KVYOOYLZLVTVOG-MAUKXSAKSA-N 485.520 1.332 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCS(=O)(=O)N(C)C)C1 1301543944 RDBBGTHCJDUPIX-QGZVFWFLSA-N 483.616 1.021 30 10 JDEE CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1 1303333014 DHWJSUOOFFXVGE-UHFFFAOYSA-N 457.556 1.955 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(C)(C)N1CCOCC1 1303847332 DCUJMMHUWVUEBH-OXJNMPFZSA-N 453.613 1.129 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1303866214 HEXDWNFAYZPVEQ-LUKYLMHMSA-N 497.622 1.291 30 10 JDEE Cc1c(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)NC(C)C)CC2)cnn1C 1304108886 AMONJDJFGOBMFK-UHFFFAOYSA-N 461.574 1.554 30 10 JDEE CN(C)C(=O)Nc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1314646409 BQEKTXZRWXZXPW-HRAATJIYSA-N 475.550 1.764 30 10 JDEE CN(C)C(=O)Nc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1314646415 BQEKTXZRWXZXPW-IIBYNOLFSA-N 475.550 1.764 30 10 JDEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)C1 1314975958 APBLQYBWEADZDV-SANMLTNESA-N 494.644 1.717 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358966700 UUXOWERFJHWSKJ-FQEVSTJZSA-N 463.648 1.748 30 10 JDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC[S@@](=O)C(C)(C)C)CC1 1359034118 DERSXJPBDFLNKJ-MGBGTMOVSA-N 467.599 1.896 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CCc1ccc(S(N)(=O)=O)cc1 1359065108 IQOHKNCFJNWVLE-HTAPYJJXSA-N 461.588 1.884 30 10 JDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1359077193 WPZMFGIKFAMOCF-SFHVURJKSA-N 462.308 1.865 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(COC(C)(C)C)on1 1359240746 WTXKZQNNOLSRQA-QGZVFWFLSA-N 468.580 1.585 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C[S@](C)=O)cc1)C1CC1 1359251828 WXLQSBZNMVAKOL-CGKQSPDFSA-N 493.655 1.693 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCS(=O)(=O)CC 1359293100 HHFKNNRUSAULIB-UHFFFAOYSA-N 456.572 1.975 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CO)CC1 1359301307 WLFQANKRRAUYJF-KRWDZBQOSA-N 464.567 1.097 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359328036 RHQQHZWPUCHKOA-MRXNPFEDSA-N 450.952 1.413 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC(NC(=O)COC)CC1 1359330014 CVCBSXQELUXMNJ-UHFFFAOYSA-N 461.588 1.586 30 10 JDEE CC(C)(C)[S@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1359587884 DLEZTYPGJOFVRA-UUWRZZSWSA-N 484.630 1.655 30 10 JDEE Cc1noc([C@H](C)N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NCC(F)F)CC2)n1 1492976816 GVDWPWOYFKYMSA-AWEZNQCLSA-N 485.499 1.773 30 10 JDEE COCCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1504886301 GMHKOMQOYMNIPJ-KRWDZBQOSA-N 466.546 1.681 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccnc1OCC(F)F)[C@@H]1CCS(=O)(=O)C1 1507632741 PLJFODOYZBOZIX-ZWKOTPCHSA-N 495.552 1.886 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1507638937 UBYSRBFIHBGZRC-SXLOBPIMSA-N 462.547 1.816 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1507663681 IFBRVXVSXJHXOM-UHFFFAOYSA-N 468.608 1.658 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1507810132 ZPAWOXNOIMKDRC-GUDVDZBRSA-N 453.609 1.876 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccn1 1507844942 SYSLWUYZQIQKMZ-SFHVURJKSA-N 450.565 1.235 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507859979 HKKJCUCBDSPHQA-UHFFFAOYSA-N 455.950 1.550 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](CN2CCOCC2)C1 1508075077 SPAMPDQENKYVFC-OAHLLOKOSA-N 478.395 1.496 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1508091012 LBNMWFVMRLWGIE-FQEVSTJZSA-N 481.601 1.462 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC(=O)N2)C1 1508122245 CYHSXUJNLFWRLF-KZNAEPCWSA-N 476.578 1.646 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1508137397 ZUFXMXRKESQORB-HNNXBMFYSA-N 463.560 1.230 30 10 JDEE CNC(=O)CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCN(C(C)=O)C1 1517567186 CXBGOEMDZOPFJT-HXUWFJFHSA-N 467.574 1.950 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1539224504 HMLNQIKEQCEYRP-OAQYLSRUSA-N 450.568 1.837 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539226498 ZGVSEFWRSIFRFQ-LJQANCHMSA-N 462.645 1.746 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1539230502 NDWRCUJNAOYYCC-WFXMLNOXSA-N 492.573 1.674 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2CC2CCS(=O)(=O)CC2)n1 1539423640 BLLDHCIUZGWWIY-UHFFFAOYSA-N 497.625 1.956 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2C[C@]2(O)CCO[C@@H]2C)n1 1539424541 SIKGPZUSQQZXHQ-NTKDMRAZSA-N 450.543 1.968 30 10 JDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1539459467 HIDZLSONTIGZHP-HXUWFJFHSA-N 472.615 1.345 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(S(C)(=O)=O)CC1 1539630960 HPXZICJROALGRU-QYZOEREBSA-N 453.609 1.973 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1539728060 CCZKWCCCNJSZGC-HSZRJFAPSA-N 488.614 1.647 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1539729901 MPZNUTFIKOIQEG-IAGOWNOFSA-N 486.639 1.927 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1540006028 PYPVYGNJCMZLHO-NRFANRHFSA-N 485.614 1.775 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1540201201 QDVVBJJKBBCJFT-IBGZPJMESA-N 471.587 1.961 30 10 JDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)cc1 1540877877 IOCRHBZYSPQLBC-UHFFFAOYSA-N 471.587 1.810 30 10 JDEE CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 1541595732 BEFIZZXBAPJEQH-UHFFFAOYSA-N 499.641 1.935 30 10 JDEE Cc1cc(C)n(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)n1 1543087468 FXPRWTZWNJLJET-DENIHFKCSA-N 490.634 1.645 30 10 JDEE Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)[C@H](C(N)=O)C1 1548367463 AMBBMDAUIXMUOV-HNNXBMFYSA-N 457.434 1.547 30 10 JDEE C#C[C@H]1COCCN1C(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 1584770735 IOMHQCQCAAZVLN-QFIPXVFZSA-N 453.564 1.667 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCSC2)c1 1587693993 ZDNWXPZWTDTRHC-ROUUACIJSA-N 473.624 1.990 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1587706808 SWOBBRGGRWOXMF-LJQANCHMSA-N 472.615 1.963 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1cccc(Cl)c1 1587988924 DTRZQGRMTRIYOZ-XLIONFOSSA-N 467.979 1.242 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1588028928 ASFSSNRMKMFDJI-SFHVURJKSA-N 461.592 1.028 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1588752385 RHKOQLYBNUUHLW-HWBMXIPRSA-N 474.650 1.573 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(NC(C)=O)nc2)CC1 1588968790 QFSHKIAOPCNQBB-LJQANCHMSA-N 451.531 1.497 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(O)c2)CC1 1593636146 ICAMYDWWMBZKRP-LJQANCHMSA-N 462.576 1.219 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OCCO)c(OC)c2)CC1 1594014749 VKLLTNMQRUNDLY-MRXNPFEDSA-N 465.576 1.473 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1594733345 RIXBZAUGRKEUTK-MSOLQXFVSA-N 468.624 1.462 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(CO)CC1 1595759680 HBIWVYRBEPXKSZ-UHFFFAOYSA-N 482.006 1.671 30 10 JDEE CCNS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 1632918468 GUTLMQWZQMEEAL-FQEVSTJZSA-N 455.540 1.851 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1689984861 XDQFOLPTZWURDL-NHCUHLMSSA-N 469.567 1.639 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1689985891 DSNPNAZFKGGRHF-SFHVURJKSA-N 452.540 1.308 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690056273 LWOGTYKCRZORDS-IXFSTUDKSA-N 491.614 1.061 30 10 JDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCOC(C)(C)C1 1690072289 BFBLDANHHLZWOE-UHFFFAOYSA-N 459.620 1.809 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCS(=O)(=O)C1 1690088223 FFHUWNFQTDFMKO-SJLPKXTDSA-N 497.618 1.492 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCN2CCC(O)CC2)CC1 1690115070 QGRWXXMSXPDOKI-UHFFFAOYSA-N 468.602 1.564 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2COC)CC1 1690135424 WNSGJTBGBGMQKI-UHFFFAOYSA-N 464.570 1.675 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCN(C)C1 1690206656 WSJRKYWQYZWHNT-NTUVXCKYSA-N 474.606 1.645 30 10 JDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)c1ccccc1 1690322020 RRYKAHQVIUEZQJ-NZSAHSFTSA-N 458.588 1.659 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1690526739 CYDDEIMELNPTDL-WFXMLNOXSA-N 454.641 1.744 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1690662811 DWCMRSZNPBAVKU-YGKZAACZSA-N 489.598 1.424 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1Cn1cccn1 1690992950 CEYGHZABGLQLCT-DLBZAZTESA-N 456.576 1.777 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1705494772 FNDFWDPAZFVYDH-ULQDDVLXSA-N 484.623 1.372 30 10 JDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705509891 PMSMJZKVJAXNLI-UHFFFAOYSA-N 479.628 1.670 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1705560305 FQUSPGGPFVUFQJ-HXUWFJFHSA-N 483.554 1.846 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1705561542 URSIOVYZGYFAQJ-RTBURBONSA-N 473.599 1.798 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1705566228 MMMDKKNFQCBAJK-IBGZPJMESA-N 459.620 1.427 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1705650176 MNPLTVGSIVVDCZ-IBGZPJMESA-N 464.561 1.552 30 10 JDEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1705683357 FEWKGDCIHJUJPG-UHFFFAOYSA-N 472.351 1.497 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1705730117 FYCFNYRBOHEKKF-IBGZPJMESA-N 490.630 1.834 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1705819279 IIBPAJQJTWYYGL-KRWDZBQOSA-N 484.623 1.634 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS[C@H](C)[C@H]1C 1705900571 INMFVYFERIQLRW-HUUCEWRRSA-N 453.572 1.824 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1705901777 WJPKNCRDUSDSMR-CQSZACIVSA-N 473.534 1.411 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C(=O)N(C)C)CCCC2)C1 1705915426 KCDNIDWZLCGZAB-SJORKVTESA-N 468.624 1.318 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC2(CC2)C1 1705946282 DFQCRIFGLCTQJR-MRXNPFEDSA-N 457.622 1.147 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722358851 MPPQVJDTYRIBQX-KRWDZBQOSA-N 494.618 1.056 30 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C#CCN(c1nnc(CCOc2ccccc2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1748821337 PJDFPLMHVWJDFV-SFHVURJKSA-N 459.572 1.005 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)CN1CCN(CC)CC1 1748836348 VYHNIQSWOCKZEF-OAQYLSRUSA-N 472.601 1.267 30 10 JDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1748935283 PRYJMRCNFGCPCS-PMACEKPBSA-N 453.570 1.945 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC2(CCCCC2)O1 1748964933 NLMPXWWZNBUFIF-PMACEKPBSA-N 495.646 1.579 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(I)cc2)CC1 1748989871 DCQOOKDQVFQOET-KRWDZBQOSA-N 490.349 1.637 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2nncn2CC)CC1 1749005955 CGTAZNXIPMKIQX-UHFFFAOYSA-N 478.557 1.588 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1749021880 BVBDINHUBHMLEM-GGXPGOJBSA-N 457.622 1.027 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1749023846 YATBOBVSBFKWKS-QGZVFWFLSA-N 482.676 1.626 30 10 JDEE 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ASKUFZAPQIGGAG-ANULTFPQSA-N 475.590 1.019 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722509788 QYDJGTUKWJJQFD-PXNSSMCTSA-N 457.583 1.183 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)CC1 1722528737 KMHIDTPQBBQGIH-CQSZACIVSA-N 454.519 1.165 30 10 JDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1722627273 JVOJXIFASCRQIP-RTWAWAEBSA-N 460.623 1.898 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1722700994 BXHPWZHDNVZRKS-DVECYGJZSA-N 455.559 1.976 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC2(CCN(C)C2=O)CC1 1722706656 WTIAWSILJXYLTJ-UHFFFAOYSA-N 468.558 1.617 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1722719940 CNYYJVWDSGLFMR-QZTJIDSGSA-N 451.618 1.993 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722729368 ZMFQQYSTPYMQNH-YJBOKZPZSA-N 461.544 1.058 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1722729415 KDPKXDYNRXHASV-HXUWFJFHSA-N 471.587 1.659 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1722731978 SKGUYWCOVXQERB-HNNXBMFYSA-N 451.524 1.264 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1722738077 ARCFYGBKSMZXBK-ICSRJNTNSA-N 498.719 1.841 30 10 JDEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)CCC1 1728652675 ABSQKGZRIAVCJJ-UHFFFAOYSA-N 499.641 1.983 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCO[C@H]1CCOC1 1740539935 RYICZPXKWDWHTR-HKUYNNGSSA-N 461.588 1.849 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccc(C)cc1 1740554320 XOCYGLBBGFETGW-QUCCMNQESA-N 461.588 1.846 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2([S@](C)=O)CCC2)c1 1740562307 IHYFKZCFULZMHL-GDTDKIKOSA-N 468.583 1.587 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1Cc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 1740616131 TUNMZIKNJJBQHJ-ROUUACIJSA-N 457.556 1.047 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(N(C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740624652 KHLPYLBIYSDYKG-LJQANCHMSA-N 477.656 1.668 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCSCC2)cc1 1740630033 DNQNWFXGKJBPOO-SFHVURJKSA-N 472.640 1.563 30 10 JDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740713740 LJAZDAMRWSMDPY-MRXNPFEDSA-N 463.585 1.558 30 10 JDEE C=C(C)COCCn1c(C(C)C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1740787059 YTZOYFJRFNLULP-UHFFFAOYSA-N 451.597 1.547 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 1740937896 RTXHCNGIVDBNJD-LJQANCHMSA-N 479.603 1.744 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(Oc2ncccc2F)CC1 1740990259 OAVVHUGVZPAYJU-UHFFFAOYSA-N 473.534 1.918 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](COC(C)C)C1 1741710450 DSAIFJRMBKYWQT-FQEVSTJZSA-N 476.603 1.775 30 10 JDEE Cn1cc(-c2nnc(N3CCO[C@@H](c4cccc(C#N)c4)C3)n2CC(=O)NCC(F)(F)F)cn1 1748012637 AERNYKKFJKFTSW-QGZVFWFLSA-N 474.447 1.807 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1748751108 CBADRHRRCBQAJK-ZWKOTPCHSA-N 477.591 1.175 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1748808793 NNSWIEVIRPUXLA-AZYRPFHASA-N 486.566 1.942 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1748817104 FEJVHPJDKZXPEW-MOPGFXCFSA-N 492.623 1.254 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1748819968 VUXFTARXUKLYPY-GOSISDBHSA-N 456.597 1.958 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)CN1CCOCC1 1748945619 WCBXZHKAJHXOHP-GHTZIAJQSA-N 454.550 1.976 30 10 JDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1749044521 RIDGTEZXDBXHMQ-MRXNPFEDSA-N 473.672 1.789 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749048857 CUEYJCMAJZYVEG-ICSRJNTNSA-N 485.614 1.189 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(C(=O)OC)CC1 1749159799 YTTOCGSBOMJKHY-SFHVURJKSA-N 484.623 1.492 30 10 JDEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1749196416 MSTOEEGSXMQFBW-UHFFFAOYSA-N 470.965 1.565 30 10 JDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1749232933 YCZBZPXMYIJDIS-FQEVSTJZSA-N 460.604 1.861 30 10 JDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)c1ccccc1 1749242362 HBGOECPOYPVQRI-AEFFLSMTSA-N 459.576 1.158 30 10 JDEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1749318579 BAZKZGGSGHTTQC-RXVVDRJESA-N 468.558 1.839 30 10 JDEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749447322 BZYMEFGJYVDTAV-HXUWFJFHSA-N 466.586 1.982 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCSC[C@@H]1C 1749665724 AWDNJIXPHOVEBZ-HNNXBMFYSA-N 453.572 1.919 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(C(=O)C(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749682551 VEUJLZRZILWYNN-HXUWFJFHSA-N 473.496 1.969 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1760180654 IWGIGHDTNRQNCF-HNNXBMFYSA-N 495.403 1.189 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1760187209 CBFSMYINXFXKKB-RBUKOAKNSA-N 457.604 1.626 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(C(=O)N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1760188959 DPWMMOSNQBSZQE-FQEVSTJZSA-N 484.626 1.539 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1760248698 CPVPHPAMDLVNRF-DLBZAZTESA-N 474.583 1.647 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2(O)CCOC2)CC1 1760266101 PTEXBVHHBUYWOZ-XDHUDOTRSA-N 471.533 1.674 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCC(=O)N2CCCCCC2)CC1 1760270436 XKMCIYJELPVGRS-FQEVSTJZSA-N 456.591 1.541 30 10 JDEE C=C(C)COCCn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760361975 XTRZMECKUJBHKV-QHCPKHFHSA-N 462.595 1.905 30 10 JDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1760407675 KJPLZZQILQYCPP-GNPCWRPDSA-N 456.547 1.931 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1760520555 RSORNCBTHOGKGX-FQEVSTJZSA-N 467.618 1.861 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC)[C@@H](C)C1 1760523732 GWFSHYVFBNUCRA-SFHVURJKSA-N 453.595 1.285 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1760524101 PGTHQSGCJNQNFV-KURKYZTESA-N 460.579 1.777 30 10 JDEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760567636 IMWZBKFMXSRVGJ-UHFFFAOYSA-N 489.671 1.824 30 10 JDEE CN(Cc1ccccc1)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1767097834 GUIBLVJSQZESGH-WMZHIEFXSA-N 470.599 1.969 30 10 JDEE COc1cc(/C=N/n2c(SCC(N)=O)nnc2C(F)(F)F)ccc1OCCN1CCOCC1 1874459755 DXWVWJNCDUDYIS-BHGWPJFGSA-N 488.492 1.476 30 10 JDEE COc1ccc(-n2nnc3c(N4CCN(S(=O)(=O)c5cccc(C#N)c5)CC4)ncnc32)cc1 1891415201 WQUUSKBNXUPRBE-UHFFFAOYSA-N 476.522 1.602 30 10 JDEE C=CCO[C@@H]1[C@@H](OC(C)=O)[C@H](Oc2ccc(OC)cc2)O[C@H](COC(C)=O)[C@H]1OC(C)=O 2081158862 MAGSUXKTAQBPOM-QMCAAQAGSA-N 452.456 1.797 30 10 JDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)CCS(=O)(=O)C1 2124543271 PKFQPQMPHCCLRI-VWEBPMOJSA-N 470.397 1.619 30 10 JDEE CC1(NC(=O)OC(C)(C)C)CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255744770 KQKVHCZHCMMOTB-UHFFFAOYSA-N 453.370 1.669 30 10 JDEE CO[C@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255836769 DQHJYKONXICGKF-KBPBESRZSA-N 453.370 1.806 30 10 JDEE C=C(CCNC(=O)OC(C)(C)C)CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267470642 AFQBBCNCAPQMAK-UHFFFAOYSA-N 470.401 1.469 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CO)CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2267476348 WUJPOVBRNZFKTG-ZDUSSCGKSA-N 490.815 1.803 30 10 JDEE CC(C)(C)OC(=O)N1CC([C@H](F)CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267550252 XAXDVCSMLJFSDU-OAHLLOKOSA-N 450.320 1.711 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@](C)(NC(=O)OC(C)(C)C)C1 2267712908 IIBBWNMKDGSPRO-FQEVSTJZSA-N 470.401 1.397 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CO1 2268724871 PBOJAJUQNQDTBY-CHWSQXEVSA-N 468.385 1.518 30 10 JDEE COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2281832449 NUXKRYAWRWVQMW-CAJLXGCNSA-N 464.324 1.908 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCOCCCNC(=O)OC(C)(C)C 2282006601 XBTWFDVNUSHEOR-UHFFFAOYSA-N 466.388 1.689 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@](O)(CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282173310 HSRDJIAPMOWYGH-QHCPKHFHSA-N 461.368 1.873 30 10 JDEE Cn1[nH]c(CCNC(=O)OC(C)(C)C)nc1=NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2282203134 LSVHUVHNLZMBBG-UHFFFAOYSA-N 477.396 1.917 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCO[C@@H](CCNC(=O)OC(C)(C)C)C1 2282540645 MTHXZKNXULHJIC-HNNXBMFYSA-N 464.372 1.475 30 10 JDEE Cc1c(C(=O)NC[C@@H]2COCCN2C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282555639 WMMMUYDGCABCSV-OAHLLOKOSA-N 464.372 1.393 30 10 JDEE Cn1c(=O)c2c(nc(NN=Cc3ccc(F)cc3)n2C[C@H](O)COc2ccccc2)n(C)c1=O 2327749675 CCSBPJMZAKUPQW-KRWDZBQOSA-N 466.473 1.459 30 10 JDEE Cc1ccc(OC[C@@H](O)Cn2c(N(C)N=Cc3ccc(O)cc3)nc3c2c(O)nc(=O)n3C)cc1 2327754121 ZUVIJUFTDUMKOO-SFHVURJKSA-N 478.509 1.760 30 10 JDEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CCN[C@H](C(=O)C=Cc2ccc([N+](=O)[O-])s2)C1 2328074879 XRLKNMXGWVYMIX-GUYCJALGSA-N 468.491 1.772 30 10 JDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cc(OC)c(OC)cc1OC 2330710856 XSPNVRBHKXGUPJ-UHFFFAOYSA-N 478.575 1.783 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@@H]3CC[C@H]2[C@H]3NC(=O)OC(C)(C)C)n1 2359282737 KHBIAOBYXZYDOV-BPUTZDHNSA-N 482.412 1.396 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)[C@@H](CC)n2c(N)nnc2SCC(=O)OC)nc1C 32535745 JGRUQMKPTRKWBL-SNVBAGLBSA-N 454.534 1.823 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)c2nnn(-c3ccc(Br)cc3)c2C2CC2)CC1 728530660 LHNAZDMRTXKQAX-UHFFFAOYSA-N 471.359 1.414 30 10 JDEE Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O 1082545010 ZRXRMGPMLDOOKN-YSVRDODPSA-N 492.506 1.074 30 10 JDEE COc1ccc(C(C)=NNc2nc(Sc3nc4c(c(=O)n(C)c(=O)n4C)n3C)n[nH]2)cc1OC 1084443126 QDTUXYYPNRKHDR-UHFFFAOYSA-N 485.530 1.093 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)CC1 1256009120 OVOGPYRSRLHBIB-BJKOFHAPSA-N 481.622 1.449 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2C[C@]2(O)CCO[C@@H]2C)c1 1286310121 WZLHVGCDLLYGKR-CRICUBBOSA-N 482.585 1.793 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC(C)C)c1 1286408210 AEIPQMILPKULDB-QFIPXVFZSA-N 485.610 1.767 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cnn(-c2ccccc2)c1 1286420297 ORPLSHQIYWBYCK-LJQANCHMSA-N 465.583 1.780 30 10 JDEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCC(=O)NC(C)C)CC1 1286473821 YDIOLTGHFWFIII-UHFFFAOYSA-N 486.646 1.217 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1286494090 JIFQKIHDSLRXEO-UHFFFAOYSA-N 461.661 1.884 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)CN1CCN(CC)CC1 1286516774 LPAZRYDXDKEGFB-XQBPLPMBSA-N 465.668 1.154 30 10 JDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1286537375 AHEUOSSDUOPFFC-UONOGXRCSA-N 485.383 1.868 30 10 JDEE C=CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CC1(O)CCS(=O)(=O)CC1 1286768797 ICEDDCRXZGHKMS-UHFFFAOYSA-N 470.542 1.726 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cccc(C)c2)C1 1286788590 ZFOWVVWRVSJANJ-PMACEKPBSA-N 488.614 1.216 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1286819035 XEUIAINVBUDXSS-GOSISDBHSA-N 489.646 1.443 30 10 JDEE CC(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1287605691 GXGURKAMWBXFFP-OAHLLOKOSA-N 476.607 1.998 30 10 JDEE C#CCN(C(=O)c1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)[C@H]1CCS(=O)(=O)C1 1291928392 KELPYZWFZPMERJ-ROUUACIJSA-N 450.561 1.718 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2nsnc2c1 1300308428 OUFVZOLSZFVJLQ-SUMWQHHRSA-N 461.573 1.122 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccn(C)n2)c1 1300334734 RRWSBEAWNMTDOQ-KRWDZBQOSA-N 467.555 1.018 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)Cc1ccccc1 1300464335 BJUMXVSHCPJHSR-ICSRJNTNSA-N 460.604 1.201 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 1300482377 FBCQYHLVSFKHDF-QGZVFWFLSA-N 476.603 1.283 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1300489910 VPMXNMMIANBENX-KRWDZBQOSA-N 459.572 1.353 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1C[C@H](C)O[C@H](C)C1 1300527738 KKNXYLKTMRDVPZ-BGYRXZFFSA-N 473.581 1.764 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCC(C)CC2)CC1 1300728887 IQPBTNJKIBOQJM-UHFFFAOYSA-N 455.607 1.098 30 10 JDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC2(CC1)OCCO2 1300830097 DBYWHPUNTXQDMB-CYBMUJFWSA-N 478.413 1.919 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccn1 1300883513 CBVCCWAVDCHWQZ-HOJAQTOUSA-N 476.603 1.624 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1300972498 LSNRGFXODBCNQJ-KRWDZBQOSA-N 462.576 1.922 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1301496711 FWHUPIMGTYNBAR-UHFFFAOYSA-N 486.554 1.348 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1301497439 WRJPKONMJWWJOH-UHFFFAOYSA-N 495.609 1.603 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1301566171 LDMZQMFKOYXSPE-FQEVSTJZSA-N 485.614 1.877 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1301577227 GEFCTBNJBXHMQO-SFHVURJKSA-N 472.571 1.313 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(COC)CC1 1301612922 RITLRVQCOVORLP-QGZVFWFLSA-N 459.638 1.393 30 10 JDEE CCN(CCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1)S(C)(=O)=O 1313804779 HQTLWHSBJCNYOG-GOSISDBHSA-N 466.539 1.397 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CCC1 1314728710 DJGVSLFCNKBZNA-JJCDCTGGSA-N 461.613 1.989 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCc1ccco1 1358876576 MQGANDWESCKGSA-INIZCTEOSA-N 470.555 1.563 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(F)cccc1F 1358891065 ZATBEURKBAMECQ-RDTXWAMCSA-N 453.515 1.590 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNc1nccc(C(F)(F)F)n1 1358891174 ZZXSRRNUWGRDRF-QWHCGFSZSA-N 457.482 1.559 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[C@@H](O)C2)c1 1358902120 FQVGUQJDEXWXOM-QKNQBKEWSA-N 485.610 1.788 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1358956819 LDQDXODGNAJLDC-MAUKXSAKSA-N 487.561 1.853 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccnc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1358962950 ZPECFVXSWWDREV-VQTJNVASSA-N 489.598 1.267 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1359008790 AEWFHPHXMPTHLR-NRFANRHFSA-N 471.627 1.645 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](SC)C(C)(C)C)CC1 1359036458 XAQYQPWZZQCYHK-QZTJIDSGSA-N 484.692 1.144 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1359044722 MXQJQDFZLIDRFU-GGAORHGYSA-N 485.677 1.759 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CCOCC2)CC1 1359091385 MQJGLLZCPIMJRC-GIVPXCGWSA-N 496.678 1.418 30 10 JDEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359132743 DSQDCIPYDVYPOA-NRFANRHFSA-N 484.605 1.386 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359301829 MPUDWNIYRAHONP-UHFFFAOYSA-N 464.567 1.170 30 10 JDEE C=CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)o3)CC2)CC1 1455924042 GPQPHMIWQYVWOF-UHFFFAOYSA-N 454.545 1.787 30 10 JDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)Cc2ccccc2)n1 1492519215 GLRKPVCUTJBISE-LJQANCHMSA-N 452.540 1.992 30 10 JDEE CS[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1505170591 HMDJWUKBDPAQIM-DOTOQJQBSA-N 461.617 1.525 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OCC)c1ccccc1 1507538882 PWRUTGKNWADCNO-IHPCNDPISA-N 461.588 1.847 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1507622464 GDRNVDWGNCSXGC-QGZVFWFLSA-N 477.537 1.662 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507623708 VZUNJISLHYDUCD-KZNAEPCWSA-N 451.593 1.248 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1507626899 QLBMCQPFDGTAGC-GHTZIAJQSA-N 463.535 1.139 30 10 JDEE C#CCN(c1nnc(C2CC2)n1CCCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1507630743 GTISFRTYHBWSLO-MRXNPFEDSA-N 467.393 1.832 30 10 JDEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1507639316 XJZRYABNZAKYSN-FDDCHVKYSA-N 487.651 1.984 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1C 1507651769 BSTFBFOSAQFHQM-FQEVSTJZSA-N 457.556 1.071 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccccc2OC(F)F)CC1 1507732346 URKKUKHCHMDWIC-SFHVURJKSA-N 479.553 1.780 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507915994 IKYPULUPHSIWBF-GOSISDBHSA-N 492.646 1.054 30 10 JDEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@H]2C1)c1ccccc1 1507924296 LDGBPLQTNJGLOD-HMXCVIKNSA-N 474.631 1.769 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](C(N)=O)C1 1508136974 XNIAMGMCAQSFFA-CYBMUJFWSA-N 485.408 1.349 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1508152886 TZSQMSMRJDBFOA-KRWDZBQOSA-N 478.644 1.969 30 10 JDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1 1516781314 BYCYQRWJAZQENR-INIZCTEOSA-N 479.628 1.901 30 10 JDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)c1 1518827512 RVVSOICUWVQSAO-UHFFFAOYSA-N 457.490 1.458 30 10 JDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)C1 1519507634 DUJCKLVALCNFKK-QGZVFWFLSA-N 463.585 1.407 30 10 JDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 1537797099 FHMZTJPMDLNXJJ-OAHLLOKOSA-N 450.879 1.439 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1539093938 IDNZPHVQWZNYFQ-SJLPKXTDSA-N 486.664 1.133 30 10 JDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1539148440 KWBBYXUMNJXBRR-QAPCUYQASA-N 460.560 1.124 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1OC(C)C)[C@@H]1CCS(=O)(=O)C1 1539200181 AWJDMAGVVDWAGZ-HXUWFJFHSA-N 485.610 1.976 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1539212839 YDAQJWCGIXTJSW-IBGZPJMESA-N 466.523 1.626 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1539218838 DZDFIOZFWPQKAJ-DNVCBOLYSA-N 491.564 1.689 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1539229962 ALRKCIIPDQZGBX-VWPQPMDRSA-N 488.610 1.880 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CCS(=O)(=O)CC1 1539364900 CUEFEZAJJUGKET-GOSISDBHSA-N 495.646 1.792 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCc2cccc(C)n2)CC1 1539434250 FNJFMUKZSWGTQP-UHFFFAOYSA-N 493.637 1.897 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1539490232 UKERKHFNXTYUFK-AWEZNQCLSA-N 458.510 1.385 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nccs2)C1 1539498226 RCJSUEXFOPREOP-ZIAGYGMSSA-N 456.619 1.289 30 10 JDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539593239 YLZUKTKNCAUKSH-GOSISDBHSA-N 461.324 1.458 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(N(C)C)CCSC1 1539670167 YFHBRHUMEZBZMU-FXAWDEMLSA-N 472.681 1.451 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1539751241 JBWJOCYXAFAMNU-GOSISDBHSA-N 479.628 1.797 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCOCC3)nc2)CC1 1539873977 IHMOJUDYSQGMFC-KRWDZBQOSA-N 475.619 1.571 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)OC)CC1 1539916323 JWKBJMIGUBRSRL-QGZVFWFLSA-N 469.608 1.603 30 10 JDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1540043027 UZXMRHYUZCTZLN-IRXDYDNUSA-N 462.551 1.115 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1540873438 XOSFIVOJSMATCV-UHFFFAOYSA-N 457.604 1.775 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCO[C@@H](C)C1 1540898762 UGFZXPGKXLANFX-INIZCTEOSA-N 468.601 1.565 30 10 JDEE CC(C)CN1CCO[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 1541567675 GQLVTMLUGHBEAK-HSZRJFAPSA-N 494.644 1.384 30 10 JDEE Cc1ccc(S(=O)(=O)NCCn2c(-c3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)s1 1542500202 CEWZRMZJBSZMMW-OAHLLOKOSA-N 499.622 1.832 30 10 JDEE CCOC(=O)COc1ccc(CCNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 1564172467 DSLSRNNILYSDLN-KRWDZBQOSA-N 452.515 1.753 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 1588029269 FMCXQEDDROMGRE-INIZCTEOSA-N 485.595 1.560 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1588046216 ZYOJHRDSJRZRPI-HNNXBMFYSA-N 463.991 1.997 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1588064406 HRDCXAWENCELFB-QGZVFWFLSA-N 472.596 1.712 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC1(C(N)=O)CCOCC1 1588093737 OIJVXPKGJNXITD-UHFFFAOYSA-N 459.348 1.401 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)C(F)(F)F)CC1 1588961794 MLONPZMIZJHWJN-UHFFFAOYSA-N 454.497 1.955 30 10 JDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1589088750 HLMOJVYJVBLYAX-UHFFFAOYSA-N 467.643 1.765 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[S@@](=O)CC 1589171754 RKVNNTIUKRMYNE-DFXYEROKSA-N 463.629 1.956 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1589708096 AKPNACNCUYGMCC-ZIFCJYIRSA-N 464.640 1.717 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1594813383 RQQPXWRAAZUPIT-RTBURBONSA-N 483.635 1.335 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1595797406 FVWXNDFTOMZTNN-UXHICEINSA-N 478.619 1.839 30 10 JDEE 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C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1Cl)N(C)C 1740629819 BDLFCSXCPTZFTM-APWZRJJASA-N 463.007 1.917 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740644458 HBJPJWHIADEEIX-UXHICEINSA-N 472.615 1.181 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(O)CCS(=O)(=O)CC1 1740681003 VQAUDHIXNISZJD-UHFFFAOYSA-N 484.582 1.361 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCNS(C)(=O)=O)CC1 1740701568 LXRGWORVNVOESQ-UHFFFAOYSA-N 496.996 1.643 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCC(=O)N2CCOCC2)CC1 1740703471 ULCRYPTVPVVKMS-UHFFFAOYSA-N 480.569 1.168 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(F)(F)Br)CC1 1740704303 LNTYHXOOOGGOLC-UHFFFAOYSA-N 454.279 1.689 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccnc2OCCC)CC1 1740704903 VXCRFQGRXLTYSR-UHFFFAOYSA-N 462.558 1.877 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCO[C@@H]1C 1740726870 RCPUYGBZWDQSSL-ZQMYSKGWSA-N 473.599 1.727 30 10 JDEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1740738849 QNIPAHNVKIMEFQ-HOCLYGCPSA-N 480.388 1.972 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1740767050 OPVAPVPFVHAETA-RCCFBDPRSA-N 488.680 1.495 30 10 JDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740789821 LFQIVPKEGGDGAG-UHFFFAOYSA-N 484.557 1.440 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)n(C)c2=O)CC1 1740839065 FXSQVHWURXDEPS-IBGZPJMESA-N 476.603 1.069 30 10 JDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740887730 CBPZLOWIPDSLQN-OAQYLSRUSA-N 470.622 1.475 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OC2CCCC2)CC1 1740951918 QIFXQVLVNHVQDE-OAHLLOKOSA-N 454.597 1.119 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1740995799 XUBUZAXRGHEQOV-KKXBDNRESA-N 484.619 1.376 30 10 JDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCOCC2)CC1 1741034277 XMOVFXNGDAEEDY-UHFFFAOYSA-N 451.575 1.988 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(O)CCS(=O)(=O)CC1 1741131995 FIKYDAYLVDTNHM-INIZCTEOSA-N 457.560 1.052 30 10 JDEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)n1 1742694085 CKHOHQYTZRTFSP-OAQYLSRUSA-N 467.622 1.822 30 10 JDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C[C@@H](C(F)(F)F)O1 1743253749 CQTNGBYOOFVMCP-WFASDCNBSA-N 458.466 1.522 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1747603351 HQPXUHZWQPRTFL-GOSISDBHSA-N 468.587 1.511 30 10 JDEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1Br 1748606864 IDDMKJTZPCOCEO-YJYMSZOUSA-N 498.403 1.862 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1Cc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 1748801713 DXMXFRDJTHPTOQ-PMACEKPBSA-N 485.610 1.827 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748811484 HUBAZASCFUFFDO-ZJOUEHCJSA-N 472.615 1.466 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748821321 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1749024009 BSHVGJBELSZUPA-UHFFFAOYSA-N 483.623 1.832 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1749650510 ZRNDWDLUSXJZST-FQEVSTJZSA-N 481.601 1.608 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749651630 ZJMBEZNROAILLP-YJBOKZPZSA-N 471.537 1.900 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCc2oncc2C1 1749655491 MRJWICIGQQEYQC-UHFFFAOYSA-N 471.543 1.048 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1749669069 GYTCIHMUDXQUMX-OAQYLSRUSA-N 495.628 1.797 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(CCCc3ccccc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1749717630 NPFSCDPYALRWFK-NZQKXSOJSA-N 460.600 1.784 30 10 JDEE CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1750202420 FYEPUHNAMITPMJ-SFHVURJKSA-N 472.571 1.365 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1760182280 DVOLURZINDSUQR-KRWDZBQOSA-N 482.653 1.728 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1760185247 TWQWZKUDJMXQIT-OAQYLSRUSA-N 450.568 1.705 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCCCN1CCC[C@H]1CO)[C@@H]1CCS(=O)(=O)C1 1760188132 IBBOMMGFGPQBTH-VQTJNVASSA-N 474.631 1.147 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1760190654 SZECNBBAUGJTNB-RBBKRZOGSA-N 471.627 1.525 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1760191734 MMMMEKFJSYUEEO-FQEVSTJZSA-N 468.583 1.882 30 10 JDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccnc1N1CCOCC1 1760195664 GATLOONIDPGYGX-XMMPIXPASA-N 450.543 1.283 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(Cl)c1 1760233845 PLRASCUOACIOST-QGZVFWFLSA-N 455.943 1.911 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2CCS(C)(=O)=O)CC1 1760268906 ZQBOOWANGWHHLJ-UHFFFAOYSA-N 494.415 1.718 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCCn2ccnn2)CC1 1760270721 XHPBTAJTRQEGEI-UHFFFAOYSA-N 450.522 1.656 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCC[C@H]2C)CC1 1760271328 UUACCGMRWMHNST-GOSISDBHSA-N 483.642 1.720 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1760280525 GKEQDMVQTZEFEA-IAGOWNOFSA-N 489.614 1.849 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1760345997 CCXDCXHMFJNIBI-CRAIPNDOSA-N 481.541 1.717 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1760357200 GMTPOTXUPPPSIQ-CVEARBPZSA-N 465.542 1.846 30 10 JDEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C 1760357701 LZIRHZRTIKFMJD-ZWKOTPCHSA-N 478.594 1.846 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1760549456 FAGKQBWWUOTMQD-SFHVURJKSA-N 474.587 1.072 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(N2CCCC2)CCOCC1 1761492773 GKQSJTVVWMAHSH-RXVVDRJESA-N 479.651 1.663 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CN2CCCCC2)CCO1 1769241221 HONWMUISISXQIB-NQIIRXRSSA-N 451.575 1.890 30 10 JDEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCOC(C)C)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865718091 HKJRIWQULSJEDR-SFHVURJKSA-N 484.553 1.275 30 10 JDEE CN(C)c1ccc(-n2nnc(C#N)c2NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1870155189 AMBCDLKJUGXYJA-UHFFFAOYSA-N 474.437 1.738 30 10 JDEE N#Cc1nnn(-c2ccc(F)c(F)c2)c1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155201 AWXLIYDAUZYCRR-UHFFFAOYSA-N 453.321 1.560 30 10 JDEE N#Cc1c(NC(=O)COc2cn(C[C@@H]3CCCO3)c(CN3CC(O)C3)cc2=O)sc2c1CCC2 1870323769 GINFYAOSIRORGI-KRWDZBQOSA-N 484.578 1.643 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255631059 SVGKJXOVRNQTJS-KBPBESRZSA-N 453.370 1.854 30 10 JDEE CC(C)(C)OC(=O)NCc1nc(=NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)s[nH]1 2255657674 SJSGZSLNFFMMOL-UHFFFAOYSA-N 467.382 1.993 30 10 JDEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2255811462 JIKIOVSTJZTGJS-UHFFFAOYSA-N 453.370 1.544 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2256614232 LUKQEDFPDPRNAQ-CQSZACIVSA-N 452.382 1.818 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2267154433 IKNYQYRQSCVKBQ-KGLIPLIRSA-N 450.345 1.050 30 10 JDEE C[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C1CN(C(=O)OC(C)(C)C)C1 2267367623 WKRCYCWJZYKYHY-CYBMUJFWSA-N 470.401 1.253 30 10 JDEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267704382 MRVCFQQCUQTAQO-WJOKGBTCSA-N 489.425 1.692 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268996053 GXZJKOCTPVFZIW-UHFFFAOYSA-N 471.360 1.907 30 10 JDEE COc1ccc(CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2278701106 SPNRZCDARZVONZ-INIZCTEOSA-N 450.341 1.496 30 10 JDEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1(CO)CN(C(=O)OC(C)(C)C)C1 2281818035 VKAPRJOTDRXZAF-UHFFFAOYSA-N 463.384 1.909 30 10 JDEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2281955671 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1.536 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCO)CCCNC(=O)OC(C)(C)C)n1C 2362489580 JRCIQUMJLSBVIW-UHFFFAOYSA-N 466.388 1.377 30 10 JDEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)Nc1cc(F)c(F)cc1B1OC(C)(C)C(C)(C)O1 2379877536 DLJQCAUJHLWJDE-UHFFFAOYSA-N 472.294 1.451 30 10 JDEE CC(C)n1cc(/C=N/Nc2nc(SCC(=O)Nc3nnc(SCC(N)=O)s3)n[nH]2)cn1 20911333 UILSJOCJZJGXJP-IJUHEHPCSA-N 481.593 1.188 30 10 JDEE COc1ccc(/C=N/Nc2nc(SCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n[nH]2)cc1O 21078626 UKGSSCFTWNXFIW-ODCIPOBUSA-N 467.467 1.579 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2O)CC1 436610143 MPJAQFQDMPRALR-OAQYLSRUSA-N 450.539 1.596 30 10 JDEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3cnn(-c4ccccc4)n3)c2=O)c1 726580507 UGJUZBHFOYTJCM-UHFFFAOYSA-N 494.580 1.736 30 10 JDEE Cc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnn4ccccc34)c2=O)c(C)c1 729668362 HKINYKUDVSISLU-UHFFFAOYSA-N 485.569 1.525 30 10 JDEE C=CCn1c(=O)n(CC=C)c(=O)n(CNC2(c3ccc(Br)cc3)CCOCC2)c1=O 742540317 JGLAKCGQPODNML-UHFFFAOYSA-N 477.359 1.559 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN([C@@H](C)c3ccccc3)CC2)c1 805699159 DCGHICKWJFZGQU-IBGZPJMESA-N 469.563 1.660 30 10 JDEE C#CCCS(=O)(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1184723421 BWEURAQIGLDZBF-UHFFFAOYSA-N 458.562 1.100 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Cl)ccc1OC 1286295559 JEJLAPCSBGVAJO-KSSFIOAISA-N 467.979 1.779 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1286396553 GFDNSSDBDYOXRV-JKSUJKDBSA-N 457.556 1.341 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286588104 YXZUHICRGMPIGV-KRWDZBQOSA-N 453.590 1.395 30 10 JDEE C=C(C)COCCn1c(N2CCN(C(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1286613565 BKQWQXXLYUBBAT-QHCPKHFHSA-N 462.595 1.861 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1286760871 ROQGBYBXWRPVBE-QFIPXVFZSA-N 461.588 1.201 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nccs2)CC1 1286815006 YVBVXKNFJTXCHH-UHFFFAOYSA-N 467.621 1.190 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(CCC(N)=O)CC1 1286820648 OSAZEUKTTVUZIN-HXUWFJFHSA-N 489.598 1.873 30 10 JDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)CC1CC1 1287087388 AWKNNGIQARPLFQ-KZNAEPCWSA-N 451.593 1.750 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccnc(OC2CCCCC2)c1 1288869109 FYUYBUCJIJFJGQ-APWZRJJASA-N 489.602 1.772 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1300391945 VXKHBLAFTIZMNS-KRWDZBQOSA-N 479.628 1.528 30 10 JDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)N1CCSCC1 1300456078 ULRDDQLVOYRLQP-UHFFFAOYSA-N 473.584 1.042 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(F)(F)Br)[C@@H]1CCS(=O)(=O)C1 1300484548 UAHPFNPURTVQBJ-CJNGLKHVSA-N 497.362 1.545 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300492013 KYSHZTWPTJASMD-PCCBWWKXSA-N 484.626 1.467 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1300495550 IKHVUAOQFWGMBI-PKOBYXMFSA-N 462.547 1.995 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(C(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1300499851 YJLPVUILNCYHRF-HXUWFJFHSA-N 464.551 1.038 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCOc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1300502241 RLNWNPUEMGQKLZ-SFHVURJKSA-N 475.546 1.245 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CF 1301412649 HAJWINRPMHNTMZ-CGTJXYLNSA-N 453.540 1.970 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1301502976 UHZVKEDEPDEEOH-KRWDZBQOSA-N 486.020 1.614 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(Br)n2)C1 1301540095 ZHRXLESOYNUIGY-HIFRSBDPSA-N 485.408 1.875 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCS(=O)(=O)NC(C)C)C1 1301555044 ROXNWFZZRAMXIA-OAHLLOKOSA-N 466.564 1.115 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@](O)(c2ccccc2F)C1 1301567065 FJTUYFWGJFUQEU-OAQYLSRUSA-N 465.551 1.254 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1301577249 LWIDHTVWAMLVJY-INIZCTEOSA-N 485.969 1.680 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2cccc(O)c2)CC1 1301586968 QBSBUMOVPPDYFI-UHFFFAOYSA-N 468.583 1.897 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1358870883 WBUXOUBMQJAMIB-FUHWJXTLSA-N 472.977 1.814 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CC2(O)CCOCC2)c1 1358903046 JTJACSHCAHIOSK-UHFFFAOYSA-N 477.569 1.737 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1358966113 IBTZXNBPSBOESB-ZJSXRUAMSA-N 471.627 1.147 30 10 JDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1358970443 OKRFIYNSUAFMEZ-QHCPKHFHSA-N 456.568 1.843 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N2CCOCC2)CCCCC1 1359010678 WIKMVOZAIFPXHA-HXUWFJFHSA-N 494.662 1.106 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1359044114 VWEJACLJASEJMF-QHCPKHFHSA-N 479.629 1.971 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CC 1359070363 LDCGSBJSAYRHHV-WAOWUJCRSA-N 450.609 1.087 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c(c1)CCO2 1359272284 OEYFJDMOWFZHTG-OAQYLSRUSA-N 473.599 1.967 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1359327054 QSYQVACGJFDCEZ-MOPGFXCFSA-N 466.652 1.525 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCS[C@H](C)[C@@H]1C 1359330772 CMXMCRNEYYMQJF-UONOGXRCSA-N 453.590 1.937 30 10 JDEE COC(=O)[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@H]1c1ccc(Br)cc1 1451872851 GOMQUVGVBBWYLQ-JKSUJKDBSA-N 475.299 1.388 30 10 JDEE N#Cc1cccc(-c2cc(C(=O)N(CCCN3CCOCC3)[C@@H]3CCS(=O)(=O)C3)on2)c1 1464899618 GXYRYFIEZFENGS-LJQANCHMSA-N 458.540 1.565 30 10 JDEE CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 1503677791 CBVIIEXMASKUQL-VWLOTQADSA-N 497.600 1.852 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(COC)CCOCC2)CCO1 1503770713 FGPLCVOZBSFXLU-IBGZPJMESA-N 454.531 1.211 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(F)cccc1F 1507671348 JJENTJMHIXIBNO-FQEVSTJZSA-N 477.537 1.595 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCN(C)CCOC)CC1 1507738416 OMUNBFPGAGDHBU-UHFFFAOYSA-N 463.586 1.970 30 10 JDEE CO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)C1 1518581828 HNNGNGGWAHVQQL-LJQANCHMSA-N 471.543 1.540 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CC1(S(C)(=O)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1539212992 YWRUGJWOVJWMCD-KRWDZBQOSA-N 479.628 1.268 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCSc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539230734 PUOYMUMALYUNSH-SFHVURJKSA-N 473.624 1.820 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1539265369 FMKVFDKBDHBVGD-XZOQPEGZSA-N 481.622 1.635 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1Cl 1539369691 OIYZRXGTSSPOIV-KRWDZBQOSA-N 455.943 1.911 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 1539445673 BVARSLQZZYNGIV-UYAOXDASSA-N 466.586 1.880 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2(N(C)C)CCOCC2)CC1 1539476493 YRYQROBUDDHERC-UHFFFAOYSA-N 453.591 1.360 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCC(=O)N(C)C)CC1 1539480643 DCLFWQYYCONPIY-FQEVSTJZSA-N 466.542 1.235 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)Cc1cccc(F)c1 1539556467 DCINZOITQSEFEC-FDDCHVKYSA-N 473.574 1.670 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1539557029 KJCVPAGYWIQDEO-TXPKVOOTSA-N 475.537 1.435 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(CC)ns2)CC1 1540007189 ZCKMMOITDRBMOG-OAHLLOKOSA-N 451.622 1.887 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCCN(CC)C(=O)C1 1540864267 ULEVEHWLSSLBOV-UHFFFAOYSA-N 464.368 1.407 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(S(C)(=O)=O)CCCC2)C1 1540892401 KWIFVHPIXGZYDX-SJORKVTESA-N 472.633 1.319 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(Cn2cccn2)CC1 1540905777 ZJHCCTAFKZKDQN-UHFFFAOYSA-N 455.588 1.978 30 10 JDEE CC(C)N1CCN(C2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(C)(=O)=O)CC2)CC1 1541629976 GVSSHWLYOQVKSG-UHFFFAOYSA-N 485.658 1.856 30 10 JDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC[C@H]1C 1544456921 CBEZLNOFIPGPSR-DRSNIGMVSA-N 459.572 1.761 30 10 JDEE N#Cc1ccc(N2CCC3(CC2)CN(C(=O)C2=NNC(=O)CC2)C[C@H]3CO)cc1C(F)(F)F 1548402537 KXBJCOXEQADTAL-HNNXBMFYSA-N 463.460 1.880 30 10 JDEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1)CC(F)(F)F 1554289042 HBANRHKSSNPJLC-UHFFFAOYSA-N 465.480 1.782 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 1558073735 YNUIUOPRNDROLB-QZTJIDSGSA-N 456.609 1.462 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1587581284 ZHXZSVCRXAAOKS-CVEARBPZSA-N 465.601 1.088 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1587862592 WXFKZQJWEKAMDA-QFBILLFUSA-N 493.552 1.554 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cccc(Cl)c1 1587988922 DTRZQGRMTRIYOZ-FXAWDEMLSA-N 467.979 1.242 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1588059265 KYSLMGWMKAVSHN-RTBURBONSA-N 494.614 1.602 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1588074571 OSQDYEDIBKUIQI-GUDVDZBRSA-N 460.604 1.789 30 10 JDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1588975735 KQDSZMHLOUZHOS-RXVVDRJESA-N 489.690 1.552 30 10 JDEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1593717730 JTUDHSDVDQDVCU-UHFFFAOYSA-N 471.953 1.527 30 10 JDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1594627170 SCVYRJABGBDGBC-KRWDZBQOSA-N 473.603 1.357 30 10 JDEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1 1594812778 KHWJWUOFKBLVNU-QZTJIDSGSA-N 492.577 1.820 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccncc1Cl)C1CC1 1595058537 OYRSMZZLYIJHHI-QGZVFWFLSA-N 452.968 1.863 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1Br 1595476845 NWYVJGNFABROFZ-ZDUSSCGKSA-N 485.408 1.589 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(C)C)C(=O)C1 1595812515 WYUSWUKGBNPMKA-UHFFFAOYSA-N 466.633 1.539 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCN(C(C)C)C(C)C)CC2)c1C#N 1612469743 FAYGPSARAALRAH-HXUWFJFHSA-N 482.637 1.588 30 10 JDEE CCc1nn(C)c(OC)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1613897402 BMVXHRIRGXFJHO-JLTOFOAXSA-N 464.596 1.371 30 10 JDEE CNS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@](F)(C#N)C1 1618846921 BXYKVDASXIROTL-QGZVFWFLSA-N 487.355 1.611 30 10 JDEE CNS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cccc(C#N)c1 1618847042 HQUKJLFTKCFWQP-UHFFFAOYSA-N 473.584 1.327 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N(CCC#N)CC3CC3)n2CC[C@H]2CCCCO2)C1 1620170429 BPXNNRIFNIUNQA-RTBURBONSA-N 466.608 1.700 30 10 JDEE Cn1c(=O)[nH]c(N2CCN([C@H](C(=O)NCc3ccccc3)c3ccccc3)CC2)c(C#N)c1=O 1642715748 CIQGRQXMWSOFSY-NRFANRHFSA-N 458.522 1.125 30 10 JDEE COC(=O)c1cn(C2CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)CC2)nn1 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C#CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)[C@H]1CCS(=O)(=O)C1 729330680 CWHGJRGDPZRVKZ-UXLLHSPISA-N 489.015 1.400 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)CC1 758658501 OWIQAZHZWZBULG-RUZDIDTESA-N 463.538 1.053 30 10 JDEE CC(=NNc1nc(SCC(=O)N2CCN(CC(=O)NC(C)C)CC2)n[nH]1)c1ccc(C)cc1 1084146510 QFYRYTKQDAPKHM-UHFFFAOYSA-N 472.619 1.710 30 10 JDEE COc1ccc(CNC(=O)CSc2nnc(NN=Cc3ccc(OC)c(OC)c3)n2N)cc1 1084247931 MSDXXGMIOCTXSP-UHFFFAOYSA-N 471.543 1.872 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc2n1CCC2 1286294541 DQCPXFCFLPRDST-HZPDHXFCSA-N 456.551 1.630 30 10 JDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1noc2c1CCCC2)[C@@H]1CCS(=O)(=O)C1 1286384292 HJTJARQGIXIVKU-IAGOWNOFSA-N 477.587 1.544 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1286385648 YBXKJECYTXQLFD-OAHLLOKOSA-N 484.420 1.834 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1286392292 GNBYICXNALJOBL-SFHVURJKSA-N 462.547 1.176 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1286395761 UOOVEYCIGGIUBE-IBGZPJMESA-N 492.001 1.991 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)NCc2ccccc2)CC1 1286470462 ZPCSXGJZFHBEOF-UHFFFAOYSA-N 472.553 1.387 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCN(CC)C2)CC1 1286481483 WICIAPKPAMYOEC-LEWJYISDSA-N 487.649 1.684 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](OCC)c2ccccc2)CC1 1286495403 ZVKBVBHZUIFHCF-FGZHOGPDSA-N 499.637 1.924 30 10 JDEE C=C(Br)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](COC)C1 1286537610 AHDHYVLKIJBODJ-CQSZACIVSA-N 485.408 1.998 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(C)=O)C1 1286671970 CUQCJGIIBHQVAN-ROUUACIJSA-N 468.624 1.318 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(c2ncccn2)CC1 1286780447 UAKAAYUNUUASNG-UHFFFAOYSA-N 470.484 1.965 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H](C(N)=O)C1 1286780450 UFUCAYDTDNLQCL-GFCCVEGCSA-N 465.327 1.851 30 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1.816 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@](C)(O)CCOC)c1 1358901217 CVOIZYNXCAVUKC-HSZRJFAPSA-N 451.531 1.522 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(OC)c(O)c1)[C@H]1CCS(=O)(=O)C1 1358955222 HUHLSLAXGFNOFV-SFHVURJKSA-N 489.598 1.586 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1358959486 JSIPVPIXGVNNCI-INIZCTEOSA-N 489.989 1.903 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCN(C(C)=O)CC1 1358975969 LOPLLDJQWBAAAS-UHFFFAOYSA-N 456.554 1.368 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ncc(C)s1 1359023920 ATTYIKMLFMGFGK-DOTOQJQBSA-N 482.632 1.266 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCN(CCC)CC2)CC1 1359040412 UBEVMAKJNFJGQY-UHFFFAOYSA-N 457.623 1.504 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCNS(C)(=O)=O 1359093949 VEVQTTFOLZQKHM-SJLPKXTDSA-N 464.548 1.820 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1359132275 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C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)C(C)C 1508013294 NPNFMIHXDJDMSJ-FYQPLNBISA-N 471.606 1.863 30 10 JDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1508042602 SARAQKPLNWHRHQ-UHFFFAOYSA-N 467.555 1.763 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1508058644 CVXBSQWCYQDLDU-SJORKVTESA-N 461.567 1.813 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CCn2cncn2)c1 1539039710 FVVZZLXYRATFMP-HSZRJFAPSA-N 464.530 1.278 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1SCCc2ccccc21 1539266871 UDFXROXWDLQLCI-SFTDATJTSA-N 485.635 1.714 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)NC(C)C)cc1 1539343895 RNOKSCUOONCTMU-INIZCTEOSA-N 461.592 1.926 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1539441487 QOZBMUMNCXJDNY-LNVKXUELSA-N 456.510 1.098 30 10 JDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCN(CC)C(C)C)CC1 1539445936 KYJDEUJNLIUQOK-UHFFFAOYSA-N 472.663 1.724 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCNC(=O)c2cc[nH]n2)CC1 1539462927 QAQQOJHOVZJNQK-IEBWSBKVSA-N 454.579 1.105 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)(C)C)CC1 1539630761 GZKOIVNXEFIYHT-UFYCRDLUSA-N 496.678 1.513 30 10 JDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1540048628 ZYYNZTMXOYRHBO-RTBURBONSA-N 461.636 1.721 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2OC)CC1 1540071745 HLABKZKALPXRLC-LJQANCHMSA-N 461.588 1.974 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1540862357 AAEWTXOBDVICDG-RHSMWYFYSA-N 462.938 1.325 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1540867931 MNBFLEQFVSJYRX-UHFFFAOYSA-N 462.558 1.989 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1540901147 UMOJFKCTTQWXHV-INIZCTEOSA-N 474.591 1.703 30 10 JDEE COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1544847968 CARLJKBUSAXVKD-UKRRQHHQSA-N 452.442 1.980 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H](C(=O)OC)c2ccc(Br)s2)C1=O 1544849475 RHHNNVXFJMBFRE-LBPRGKRZSA-N 458.290 1.160 30 10 JDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CN2CCOCC2)C1 1554399224 IDXUGJZXCDWUBL-KOSHJBKYSA-N 451.575 1.747 30 10 JDEE COC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)OC 1555259538 ACUAZRQOVVKHLD-PMACEKPBSA-N 454.531 1.511 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)s1 1569897788 DZCXNISYIOEQJL-GFCCVEGCSA-N 453.508 1.672 30 10 JDEE CCCCS(=O)(=O)NCC(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 1585534064 HTURVIADZYXSIV-KRWDZBQOSA-N 457.394 1.877 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1588035658 WNYCKYLNYFKEQV-ZJOUEHCJSA-N 474.583 1.632 30 10 JDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1588185272 DRAOGDGSDPHUAT-MHZLTWQESA-N 491.640 1.978 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1588581486 TVLROQWSQVSUME-INIZCTEOSA-N 451.980 1.966 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1589485292 YDBKRTPPGYNMCB-HKUYNNGSSA-N 482.589 1.218 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1593746404 DEVXQTRHRCCWBN-FQEVSTJZSA-N 474.587 1.712 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1594733847 YULKKJZFDXUMJB-LVCYWYKZSA-N 469.608 1.352 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1595593417 DFDAKZSJTAXOHN-HXUWFJFHSA-N 485.520 1.065 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(c2cnn(CC)c2)CC1 1595821834 DBXUOIDWLYVGDM-UHFFFAOYSA-N 475.619 1.602 30 10 JDEE COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1619879936 IFZHHTNBHVTRTO-PMACEKPBSA-N 453.547 1.257 30 10 JDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCCN(CC(=O)N4CCCC4)CC3)CC2=O)cc1Cl 1628306119 APVNJGMGEYESKA-GOSISDBHSA-N 457.962 1.721 30 10 JDEE CC(C)(C)OC(=O)NCCC1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1639662093 CUYUZPHMVPCBOZ-UHFFFAOYSA-N 450.561 1.990 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCN(C(=O)OC)CC3)nc2)c1 1641277619 HXDSZWCDMZKENV-UHFFFAOYSA-N 457.512 1.134 30 10 JDEE CN(CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)C[C@H](O)CN1CCOCC1 1653539200 FECSFKDAOOXMPZ-FQEVSTJZSA-N 451.571 1.791 30 10 JDEE C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 1680367076 CZBAZZJBTPPFSB-KMFTYDHNSA-N 454.575 1.981 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1689930209 MVUCQFUCCMDYAR-ROUUACIJSA-N 480.635 1.156 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1689997300 ZQNXSFASIHLDRX-RTBURBONSA-N 474.583 1.919 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCN1S(C)(=O)=O 1690108190 RSJGPVUPYLQOEG-GUDVDZBRSA-N 467.636 1.707 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCN(C)S(=O)(=O)CC)CC1 1690130621 JKBRYSPKNNNFOS-UHFFFAOYSA-N 450.634 1.357 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(OC)c2OC)CC1 1690134921 LABOGIBMPKOGPM-UGKGYDQZSA-N 455.559 1.823 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCC(F)(F)CC2)CC1 1690136677 ICFYWXLFJIEOLY-OAHLLOKOSA-N 486.589 1.680 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cnn(CCOC)c2)CC1 1690140075 LBRMSRUDYNTNEN-UHFFFAOYSA-N 477.569 1.811 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)[C@H](C)CC)CC1 1690411189 HISPQJCWJXCMIZ-MJGOQNOKSA-N 454.641 1.744 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1690669317 ANOFFAQJGFJGCB-HNNXBMFYSA-N 461.567 1.415 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCS(=O)(=O)CC 1690670881 LHEKSBLTWOJFHV-QGZVFWFLSA-N 498.650 1.566 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1690675164 QMVNAMRJELVHHQ-QHCPKHFHSA-N 453.522 1.679 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(O)CCO[C@@H]2C)C1 1690689269 AKTSVJFVTZCAGY-RADWXHQJSA-N 462.572 1.670 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1690742198 JQAOFOJEYIHFQM-YSIASYRMSA-N 475.663 1.527 30 10 JDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)NC2CC2)CC1=O 1698087003 CCZMYZOAZRXNOZ-UHFFFAOYSA-N 451.531 1.171 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1705490842 RQNQVCJGGWYXGL-HNNXBMFYSA-N 459.514 1.286 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCNC(=O)c2cc[nH]n2)c1 1705504572 ATSJBEUIFRHDDT-UHFFFAOYSA-N 483.536 1.858 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705564458 CCMUQRVOJZUPFZ-IAGOWNOFSA-N 467.592 1.324 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1COCCO1 1705582907 MBGGBIZJWXTDER-RTBURBONSA-N 459.547 1.465 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCO[C@H]1C 1705590897 YZZWSERFTPGKLT-FDDCHVKYSA-N 470.599 1.549 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C)N(C)C2CC2)CC1 1705640363 OPUUUSHSFOWYMQ-FPOVZHCZSA-N 487.649 1.824 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(=O)N(C)CC)CC1 1705650960 DZUDPGHMXUNLEM-UHFFFAOYSA-N 468.558 1.310 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nccs2)CC1 1705737026 IHZKZIXFTUURAX-QGZVFWFLSA-N 466.633 1.946 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N1CCOCC1 1705859877 HPKIBCRHROUMBO-FQEVSTJZSA-N 463.542 1.542 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OCC(=O)N(C)C)c2)C1 1705914551 OKWTYIIUPVVXJG-NRFANRHFSA-N 482.585 1.811 30 10 JDEE CC1(C)CCC[C@]1(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1706943854 BXRSXAOPRFTWDJ-GCJKJVERSA-N 480.635 1.682 30 10 JDEE Cc1ccc(S(=O)(=O)NCCn2c(C(=O)NC(C)C)nnc2N(C)[C@@H](C)CC#N)s1 1707559734 GUXHBPJVXCZOTB-ZDUSSCGKSA-N 453.594 1.503 30 10 JDEE Cc1nn(C)c(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1707799949 FFCUDFCVXPKFME-OAHLLOKOSA-N 456.576 1.795 30 10 JDEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 1708258615 HLANFMLFOUNYKX-IBGZPJMESA-N 453.591 1.980 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@]2(C)CN(C)C2=O)c1 1722307011 YDRLHSOXBJIJTA-XMMPIXPASA-N 463.542 1.049 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H](C(F)F)N1CCOCC1 1722346084 LUMUWGKQFUVRHK-IBGZPJMESA-N 496.584 1.621 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)CCCN2C 1722353694 ZCRDHWKPIKTBJW-FQEVSTJZSA-N 458.588 1.111 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccnc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1722357986 BUAJUODBMWODQC-HNNXBMFYSA-N 484.504 1.505 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Br)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1722361969 LEOFWWVWOITTRS-AWEZNQCLSA-N 490.387 1.511 30 10 JDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1722366289 HTEFEZDTHLRMFF-UWVAXJGDSA-N 460.556 1.700 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccc1F 1722383433 HTRFIYNXVFGIJR-HXUWFJFHSA-N 473.574 1.801 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)oc2ccccc12 1722384806 UMMYVDQLOAOZQO-NRFANRHFSA-N 467.551 1.787 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCC(F)F 1722394572 XAESVWGWJOMGSS-UHFFFAOYSA-N 467.480 1.519 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1722397541 RQECYVMITCHDSZ-OALUTQOASA-N 491.614 1.484 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(OC)CCOC1 1722423372 ZVTDKDPBZHRMBM-XMSQKQJNSA-N 462.547 1.765 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](OC)C(F)(F)F 1722476110 YTBMANNLCLMFQF-RLFYNMQTSA-N 479.525 1.571 30 10 JDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1722647940 PSXVSXMWNOIYSW-HXUWFJFHSA-N 458.632 1.700 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)N(C)Cc2ccccc2)C1 1722719349 TUZYKOQXWFASGO-PMACEKPBSA-N 473.599 1.620 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1722750187 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C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)N(C)C 1740723615 QUYZEBCCLHHITD-OAQYLSRUSA-N 479.006 1.745 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1CCN1CCCS1(=O)=O 1740920983 ZXDNRPINZWITOA-UHFFFAOYSA-N 476.578 1.768 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(CC)s1 1740931902 CPEZIUBMFHOWKM-CQSZACIVSA-N 453.594 1.252 30 10 JDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1740942724 CUFOTVWXNVFHEC-HNNXBMFYSA-N 472.575 1.045 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1740950715 FEOCDGKPRMBZRL-UHFFFAOYSA-N 481.601 1.560 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1740954918 JEUIGVPTZCOXFN-QGZVFWFLSA-N 473.541 1.633 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1740960270 OLDPSMMIJRAAGP-KSZLIROESA-N 466.608 1.072 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1740991240 RNHMHPKDNHBFNB-IKGGRYGDSA-N 496.634 1.570 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ZRQGXGIJPKBVGQ-RBUKOAKNSA-N 480.679 1.819 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359329512 LJKUTSDQEWVSKO-INIZCTEOSA-N 484.600 1.186 30 10 JDEE CC(C)CN1CCO[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)C1 1360033923 AIMSECXQBIDXMT-WIYYLYMNSA-N 451.575 1.840 30 10 JDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCC[C@H](S(C)(=O)=O)C1 1467597562 DCUMZHLGHDXHGC-RDJZCZTQSA-N 455.602 1.566 30 10 JDEE Cc1cc(C)n(Cc2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CC(=O)NC(C)C)n1 1492752212 FOBUHZDSWWNEPS-UHFFFAOYSA-N 462.562 1.258 30 10 JDEE CCN(CC)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC1 1501788494 IFZJFLTVHIYFJV-JOCHJYFZSA-N 481.601 1.898 30 10 JDEE CCN(CC)Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1501912486 DFZOOIFBEVUQSI-LEWJYISDSA-N 472.615 1.799 30 10 JDEE CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 1502310482 AFDYRRSWRKFQAX-NQIIRXRSSA-N 450.591 1.544 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCCS1(=O)=O 1504872682 HNXQKLGTALPITM-FQEVSTJZSA-N 488.614 1.908 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1507622268 CRBQVWYJCYCUIN-GOSISDBHSA-N 461.975 1.843 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1507625101 GHINTCYEOKSAPE-LJQANCHMSA-N 469.571 1.342 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507628170 GLMSYCQVFSPHQL-GOSISDBHSA-N 473.599 1.743 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC 1507653066 SGHJKISRPRDNGP-KRWDZBQOSA-N 465.576 1.094 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(CCOC)c1 1507667696 PVMGIUDWXXMJLU-UHFFFAOYSA-N 470.537 1.546 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCNS(C)(=O)=O)CC1 1507719112 YIRVZLZWCHCXQY-UHFFFAOYSA-N 468.530 1.241 30 10 JDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1507753004 HUTUWLLDJCLOAF-UHFFFAOYSA-N 460.585 1.177 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1507832105 NJJFBPCWEKQLEW-HXUWFJFHSA-N 488.614 1.716 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1507915751 YOVKEQJMZXSKGH-RTBURBONSA-N 467.684 1.707 30 10 JDEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C(=O)NC)C1 1507955862 TUXMDUZBEGXOAE-QFIPXVFZSA-N 467.618 1.560 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1507967015 FSUJSGYCNBEZFH-ROUUACIJSA-N 453.609 1.466 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCN1CCOC(C)(C)C1 1508071433 CAFBFPKMQIUNQQ-UHFFFAOYSA-N 480.411 1.885 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N(CC)CCS(C)(=O)=O 1508078844 KHLDKNJFTGLZOR-UHFFFAOYSA-N 470.393 1.881 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1508095145 SRRNSYMNRPJUCB-LJQANCHMSA-N 484.601 1.857 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)OC)CC1 1508136568 UNGPEVRECADEAU-UHFFFAOYSA-N 493.586 1.842 30 10 JDEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)CC1 1513196677 HHCJZNANKGTTRE-JTYJAPAGSA-N 483.642 1.765 30 10 JDEE CN(C)C(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1 1516961038 GOWXFNNOVDFXFV-UHFFFAOYSA-N 459.576 1.414 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1539202494 JDOGNDZGTBEGNW-IBGZPJMESA-N 487.630 1.333 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539203592 SOGCMWMHROGBCM-PMACEKPBSA-N 478.663 1.555 30 10 JDEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@H](C)N(C)C)CC1 1539431294 SUMCZXPOTVYNKC-KRWDZBQOSA-N 458.636 1.252 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCS(=O)(=O)NC(C)C)CC1 1539441056 JRKUMIKTSAFSTJ-UHFFFAOYSA-N 495.447 1.791 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c(C)coc2C)CC1 1539482551 VCEANUCLRYBHNM-GOSISDBHSA-N 459.572 1.404 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCO[C@@H](C)C1 1539670171 YIYDCZFXKYVAEK-PMACEKPBSA-N 484.667 1.514 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1540866550 RIWWMHQKWATZPG-OAHLLOKOSA-N 496.490 1.769 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1540873286 SVFVAGWKSNEWGK-LJQANCHMSA-N 478.601 1.807 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCS(=O)(=O)N(C)C)C1 1540892384 KRFCKGDGVYEEPV-QFBILLFUSA-N 463.560 1.463 30 10 JDEE CCN1CCN(CCCn2c(COc3ccc(OC)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 1547734709 BQLYWLDQOJLIII-JOCHJYFZSA-N 469.590 1.622 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCC(F)F 1587567164 CKAILHNBLWPQQY-LBPRGKRZSA-N 453.519 1.386 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSc2ccccc21 1587640314 QQBQRVMVRDILLH-JZXOWHBKSA-N 461.613 1.958 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2Cc3ccccc3C2)CC1 1587707164 XOUOWZOYTBYBPP-IBGZPJMESA-N 470.643 1.981 30 10 JDEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1587712273 RCIGQOFWIZUFSS-QGZVFWFLSA-N 454.531 1.988 30 10 JDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1587878903 JDDOSGYBLPIRAB-UHFFFAOYSA-N 496.597 1.740 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588045728 PNFJSYBUHWHURF-HSALFYBXSA-N 486.642 1.855 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1nc(C(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1588050295 QNIXTOZNZTVXGB-OAHLLOKOSA-N 457.585 1.990 30 10 JDEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1588050891 XCMKASPYIIPRAP-QGZVFWFLSA-N 498.609 1.463 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc([C@@H](C)OC)n1 1588233929 WDKDJMXUGHQAIT-SJLPKXTDSA-N 492.627 1.286 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(SC)CCC2)CC1 1588890980 JZXUXQOZIMBIKP-OAHLLOKOSA-N 468.649 1.140 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1cc(Br)cn1 1589150659 IMBGFYYCPRTKDB-RDTXWAMCSA-N 484.424 1.930 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(OCC(N)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1589581425 SESIZFJSZGWHGP-KPDCDPCYSA-N 463.579 1.382 30 10 JDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F)C1CC1 1595054211 DKBNBWUQEBINEV-GDBMZVCRSA-N 463.526 1.598 30 10 JDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F)C1CC1 1595054725 PROKSHDAANDICP-WBVHZDCISA-N 477.553 1.988 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nncn1CC 1595115252 GTECSURBKKECEQ-LJQANCHMSA-N 486.602 1.463 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1595529902 LZQZHIMFZCQEAM-UHFFFAOYSA-N 451.556 1.975 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1595785327 XCKQJQLBYOGZGV-HNNXBMFYSA-N 454.574 1.178 30 10 JDEE C=CCOC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)C(=O)OC 1639555481 LVXNIQARPRPKOL-LJQANCHMSA-N 452.529 1.150 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)CC1 1650848860 LJIMJJYFQRVYLA-QGZVFWFLSA-N 454.593 1.026 30 10 JDEE C#CC1(O)CCN(C(=O)NC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)CC1 1679492758 SDSOCGKMDFQEKP-UHFFFAOYSA-N 451.545 1.027 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1689932146 RQLBQVBINFZTAL-IRXDYDNUSA-N 467.592 1.623 30 10 JDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1689980946 ZURSFTSFDZMZPM-AABGKKOBSA-N 455.584 1.725 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1689996973 SMHJHLULHUQFMF-IRXDYDNUSA-N 496.586 1.058 30 10 JDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1690003478 OVXMEYGKCVQZMI-RUZDIDTESA-N 482.585 1.646 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCN1S(C)(=O)=O 1690005085 RKYUBNMRFUQKMK-MRXNPFEDSA-N 479.404 1.543 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@H]2CCC[C@@H]2N2CCCS2(=O)=O)n1 1690108047 NITUWFUHEYXMFM-FPOVZHCZSA-N 475.619 1.273 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2ccccc2C)CC1 1690146729 VCTLGTBETVOHEC-CTNGQTDRSA-N 499.637 1.922 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1690169861 QSGBFRMFYAQBHP-UHFFFAOYSA-N 456.620 1.180 30 10 JDEE C=C(Br)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690223290 LLCMMBPZEARSEQ-HUUCEWRRSA-N 479.331 1.985 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1690311903 XEFIYGDVWDNFCH-LEWJYISDSA-N 460.623 1.898 30 10 JDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(N2CCOCC2)CCSC1 1690609449 OSWBKHMRDZGRCO-QFIPXVFZSA-N 464.636 1.361 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1690677288 TWWOHPMSJSITDU-HOYKHHGWSA-N 471.558 1.942 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1690677303 UBICAWPBAMJQLW-QGZVFWFLSA-N 492.577 1.303 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)nnc1C(C)(C)C 1690678500 YHUIKUHOCKTCBM-UHFFFAOYSA-N 459.639 1.791 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2-n2ccnc2)C1 1690686958 WMELUMKQFOKBPB-IEBWSBKVSA-N 471.587 1.904 30 10 JDEE C[C@H]1CN(c2ccc(Cn3c(CN4CCCC4=O)nnc3N(C)C[C@@H](C)C#N)cn2)CCO1 1691008172 FDYRRKBWTGWLAY-ROUUACIJSA-N 452.563 1.665 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCN2CCN(C)C(C)(C)C2)c1 1705505142 JTUNYNNPYXUYSE-UHFFFAOYSA-N 487.612 1.817 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1705534300 DXEAVYCGXFDYOF-IBGZPJMESA-N 489.621 1.258 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(NC(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1705565140 GQZOMDRIATZHSB-HKUYNNGSSA-N 472.571 1.338 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC(=O)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 1705567419 XULNQHPMHCHOGD-IBGZPJMESA-N 467.555 1.334 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1c2ccccc2C[C@H]1C 1705597964 XHFCLXYRXHLVDH-NFBKMPQASA-N 496.637 1.525 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1c2ccccc2C[C@@H]1C 1705597965 XHFCLXYRXHLVDH-NZQKXSOJSA-N 496.637 1.525 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CS(C)(=O)=O)CC1 1705620535 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C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1705904677 UXIXYPJKBGRIBL-WDSOQIARSA-N 490.605 1.892 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705907452 NGBODFMCPFKBSA-LJQANCHMSA-N 461.588 1.388 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@]2(O)CCOC2)C1 1705916833 ONUJVDMXYNTLEO-UZUQRXQVSA-N 460.531 1.904 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1705961474 YGZMDLDPJVNILJ-SLNYWTKHSA-N 464.530 1.171 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(C)(C)O)C[C@H]2C)CC1 1706001486 SRBWJULNRFASOV-XMSQKQJNSA-N 465.602 1.967 30 10 JDEE Cc1nn(C)c(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1707799948 FFCUDFCVXPKFME-HNNXBMFYSA-N 456.576 1.795 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722369134 YTOXDNKNBHQRNA-PMACEKPBSA-N 451.637 1.460 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1722372567 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CON([C@@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282860913 IBBHPRVHFHJZFQ-MRXNPFEDSA-N 483.396 1.942 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@@]2(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2283915700 IAXGKGQWKABAMS-PEBXRYMYSA-N 479.408 1.942 30 10 JDEE Cc1csc(CN(C)C(=O)CNC(=O)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2284062645 HLEGNQYADXNJOW-UHFFFAOYSA-N 481.424 1.955 30 10 JDEE COc1ccc(C=C2Oc3cc(OCC(=O)N4C[C@@H](O)C[C@H]4C(=O)O)ccc3C2=O)cc1OC 2297471962 HMDKXOPIHITFPB-YOEHRIQHSA-N 469.446 1.745 30 10 JDEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@H]1[C@@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C 2359390454 FHCRALNFMUONFA-BBWFWOEESA-N 482.408 1.347 30 10 JDEE CO[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2365477556 OHFIPWOQFFRJHQ-CQSZACIVSA-N 488.387 1.943 30 10 JDEE Cc1cc(CN(C)C(=O)C(CO)(CO)NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2370319893 JNZDPFGFFYZRJJ-UHFFFAOYSA-N 484.424 1.562 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)CC1 33233777 MVJUABSWUBXXRX-UHFFFAOYSA-N 472.567 1.556 30 10 JDEE CON[N+](=O)CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(N(C)C)cc1 585089003 ZTIKGGQWLZTYAL-NRFANRHFSA-N 462.552 1.438 30 10 JDEE CC(=O)N1CCN(C(=O)C(/C=C2\C(=O)ONN2c2ccccc2)=NC(=O)c2ccccc2)CC1 585673662 NSZHQWGICIRXMQ-ZYYAGZCKSA-N 461.478 1.325 30 10 JDEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3cnn4ccccc34)c2=O)c1 729672586 WBDGZVUNXXJTGO-UHFFFAOYSA-N 467.554 1.803 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2c(C)nn(-c3ccccc3)c2C)c1 919020600 MNZKFFLHJRPAJW-UHFFFAOYSA-N 480.546 1.874 30 10 JDEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3cc(OC)cc(OC)c3)n[nH]2)cn1 1084144075 WBYDCUONWJCDRV-UHFFFAOYSA-N 460.520 1.842 30 10 JDEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cc(Cl)ccc3O)n2)cc1 1084447089 ZSPGQGYXLYGSNU-UHFFFAOYSA-N 481.947 1.988 30 10 JDEE N#CCCN1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2)CC1 1152067691 BGSOUEHRDKSHDR-UHFFFAOYSA-N 456.524 1.930 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCN(CC)CC1 1286287687 CGSZGSZSYINTKH-VQTJNVASSA-N 476.629 1.924 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2NC(=O)CC2(C)C)c1 1286310605 DXOXBECDSOVTEB-IEBWSBKVSA-N 498.609 1.151 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286389491 KYJFCCCEKJXLKX-SFTDATJTSA-N 484.626 1.773 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286390577 AYVVDLLEOOSLBD-OALUTQOASA-N 466.604 1.385 30 10 JDEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1286397673 BQVFYMQBVJAVIW-BDXSIMOUSA-N 499.609 1.660 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1286398013 VVCMBGQKSDQXBJ-XMSQKQJNSA-N 476.624 1.660 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccc(OC)c1)N(C)C 1286448563 YESKXRSWPRZKDA-LEWJYISDSA-N 490.630 1.382 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc2cc(OC)ccc2n1C 1286466247 FWSHYRNDPHODGL-INIZCTEOSA-N 472.571 1.210 30 10 JDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@]2(O)CCO[C@H]2C)CC1 1286485303 JBNZWDQGPULPDQ-FDDCHVKYSA-N 457.600 1.874 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@](C)(O)c1ccccc1 1286521639 BLRIUGKEBFDHEL-HUVFLSCGSA-N 487.626 1.901 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(OC)n2)CC1 1286540859 FDRYDUMCPRMANV-CQSZACIVSA-N 498.407 1.214 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(F)cccc2OC)CC1 1286586108 WFWMJEUOAAWMLQ-OAHLLOKOSA-N 452.556 1.939 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1286673065 TYAQSPZIEVXDCO-RTBURBONSA-N 482.651 1.518 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C)C(=O)C1)C(C)C 1286750546 CPSLUFBREPTWEG-LJQANCHMSA-N 469.590 1.983 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](NC(C)=O)C2)cc1 1286794274 BLTNKFIGGXJGCU-APWZRJJASA-N 476.603 1.606 30 10 JDEE C=CCSCCn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OCC)CCOC1 1286835011 MTVDEDOCJGIKBY-VGSWGCGISA-N 478.619 1.616 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1288274158 GDGDECDWEKVCEE-QGZVFWFLSA-N 489.650 1.571 30 10 JDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1296307158 CAUMYQXSSMEDDS-UHFFFAOYSA-N 457.560 1.245 30 10 JDEE C#CCN(c1nnc(C(C)C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O)[C@@H]1CCS(=O)(=O)C1 1300484174 OZMUFBQPKAFAJA-IEBWSBKVSA-N 461.563 1.512 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1ncn(-c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 1300496590 SJPKRNCRSDUHTB-LJQANCHMSA-N 453.572 1.732 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1300505094 XQCJSCLSYXKSHP-INIZCTEOSA-N 481.525 1.174 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC2CC2)nc1 1300578336 LFYXJZPMACGIAK-FQEVSTJZSA-N 453.568 1.875 30 10 JDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CCS(=O)(=O)CC1 1300642844 VRDLIZMHXQXFSL-CALCHBBNSA-N 481.619 1.448 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c(F)cccc2Cl)CC1 1300699286 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N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCn2cc(Cl)cn2)cc1 1316533156 FRMTUVJZGWHZDR-UHFFFAOYSA-N 461.935 1.514 30 10 JDEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1358915882 SEPNECXOCGVQDY-UHFFFAOYSA-N 476.585 1.333 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@](C)(O)C(C)C)CC1 1359043617 AZAZIDJBMFOYBX-QHCPKHFHSA-N 456.547 1.379 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1359051317 SMHBSCDGEQVTAB-WMZOPIPTSA-N 464.613 1.955 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1359303415 NFSYROQCTWJYFB-HOYKHHGWSA-N 455.559 1.758 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1359303647 WFIIGNGWMBCRHX-SFHVURJKSA-N 457.604 1.815 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1359326116 SSBOPSYMTQTNAL-FBAVSBLXSA-N 468.620 1.528 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H](C)C(=O)NC 1359336318 MBIBRIAPVTZHTB-BRWVUGGUSA-N 455.625 1.616 30 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C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1539205465 IRMOZLOJVLPGQK-OAHLLOKOSA-N 489.907 1.904 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CC1(OCCOC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1539210739 GCUMQKYXHBSJMJ-IBGZPJMESA-N 489.598 1.179 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CCN1CCN(C)C(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1539211713 NWLSYTNQKZWECL-NRFANRHFSA-N 484.670 1.906 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1539220258 QYGCQJQBNRIHIH-HNNXBMFYSA-N 475.525 1.434 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1539229202 ABSSBEJVSKKEAQ-GOSISDBHSA-N 455.544 1.084 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1539231204 TZFDEZPHMVPDTR-CVDCTZTESA-N 474.583 1.598 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)NC(C)C)cc1 1539343896 RNOKSCUOONCTMU-MRXNPFEDSA-N 461.592 1.926 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)C(=O)NCC 1539350362 JDNCCWRTVULADI-UHFFFAOYSA-N 460.604 1.817 30 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457.980 1.858 30 10 JDEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1552889250 BVEOTAIWZSRMFO-LJQANCHMSA-N 498.613 1.423 30 10 JDEE CNC(=O)CCn1c(COc2ccccc2F)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1554489467 APQWZQXNINCGDH-UHFFFAOYSA-N 464.505 1.726 30 10 JDEE C=CCn1c(O)nnc1SCC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 1559387558 AACAROHQVUCHPW-UHFFFAOYSA-N 451.574 1.753 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CC[C@@]2(CCOC2)O1)[C@H]1CCS(=O)(=O)C1 1588059767 URIZFYIINNUWFD-SPEDKVCISA-N 450.605 1.832 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1588069017 FMIONYDJCWCFDE-MBSDFSHPSA-N 476.599 1.899 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588069067 GPYSNUABDGNTHV-MOPGFXCFSA-N 462.620 1.828 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCC(C)CC1 1588233379 HWKVDVSIMJJBCF-QFIPXVFZSA-N 490.674 1.586 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@](C)=O)CC1 1588646943 PUHHIFHWFTZRSE-GTOJURISSA-N 481.619 1.584 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1588848657 JZVPFQDNHJSDRK-JOCHJYFZSA-N 465.646 1.659 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1589484480 TYYQTHXSZVVBQU-FHWLQOOXSA-N 480.635 1.402 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CCCO2)CC1 1594733849 YWMFMIJZBAKSQV-MOPGFXCFSA-N 453.609 1.973 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2noc3c2COCC3)n1CCNS(C)(=O)=O 1595094911 ZXHDEIFOYJHGCK-UHFFFAOYSA-N 483.554 1.619 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C)CC1 1595845178 NNVGDTQARLOHLT-MRXNPFEDSA-N 466.637 1.233 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2-c2ccccc2OC)CC1 1632624075 NDCKIFHAIXGCML-NTKDMRAZSA-N 465.554 1.242 30 10 JDEE CN(c1ccc(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1)S(C)(=O)=O 1678366540 GPLYWNTVPXPOJE-NVXWUHKLSA-N 451.549 1.641 30 10 JDEE C#CCN(C(=O)NCc1ccc(-c2ccc(OCC(N)=O)cc2)cc1)[C@@H]1CCS(=O)(=O)C1 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1690321420 BAZSPKZYELPKQK-ICSRJNTNSA-N 462.595 1.979 30 10 JDEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690484606 ACUFWNOQNFECSW-HXUWFJFHSA-N 468.558 1.930 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC(=O)N1 1690558228 IYBSMDZWNDSDFV-MAUKXSAKSA-N 457.560 1.231 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690665761 ORTSZWQMLWZHRM-CJNGLKHVSA-N 460.922 1.844 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2c(C)noc2C)C1 1690700360 RAJDBYVYPDKPAN-HKUYNNGSSA-N 480.591 1.240 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1690723134 JAQSLKZUGJMDLE-IEBWSBKVSA-N 486.598 1.319 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1690787232 SFOARNNRLCRZJM-HKUYNNGSSA-N 464.530 1.110 30 10 JDEE COc1cc(C)nc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)N(C)C)CC2)n1 1697243925 BTMWSLAGNCIPKQ-UHFFFAOYSA-N 475.557 1.729 30 10 JDEE COCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 1697879330 BMWSYWWVCFARTP-UHFFFAOYSA-N 474.587 1.627 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCCC1 1698060804 HMAMDFDJCJJWQE-KRWDZBQOSA-N 454.597 1.558 30 10 JDEE COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(C)(OC)C2)CC1=O 1698078315 HWFWQOUMHXGFQX-SFHVURJKSA-N 454.531 1.449 30 10 JDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C1 1698294603 AMJGWKXQEYZRFN-GOSISDBHSA-N 456.572 1.876 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCN(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705565010 FIFZGRFNOILKRJ-IAGOWNOFSA-N 494.618 1.113 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cnn(CC)c1 1705595372 PUHRCOLPUOBCTR-UHFFFAOYSA-N 450.572 1.966 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)c(OC)c1 1705598258 FOHYVVHBYBSXHU-HXUWFJFHSA-N 492.001 1.784 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCOC1 1705626648 DMPOBVLUZUESPB-DEOSSOPVSA-N 466.542 1.302 30 10 JDEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1705727245 PYBOCGIGDSZDPW-UHFFFAOYSA-N 465.624 1.593 30 10 JDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705829854 DHWOEQGNJGESLY-FCEUIQTBSA-N 460.623 1.754 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1705899080 HSXJJKKTHXBCGA-DENIHFKCSA-N 465.602 1.545 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ncc(CC)s2)C1 1705924929 HTYOYGOMBWNKPP-SJLPKXTDSA-N 496.659 1.654 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1710898581 HBYBVMVBOINZNP-FQEVSTJZSA-N 487.630 1.305 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722358567 JABHQTOXZRLVPW-VQTJNVASSA-N 499.641 1.674 30 10 JDEE C#CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CCC)[C@H]1CCS(=O)(=O)C1 1722362373 TUKAANYSEMMJCM-HNNXBMFYSA-N 450.590 1.275 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1722371240 IEEKSTXYOXNGRO-INIZCTEOSA-N 462.963 1.124 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN1CCN(C(C)=O)CC1 1722375744 GPOGISVDRSUEFU-UHFFFAOYSA-N 456.554 1.572 30 10 JDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722682206 VOCKWFBDBYVVIG-UHFFFAOYSA-N 452.968 1.566 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(CN(C)C(C)C)CC1 1722696549 BKVBMVQLVVYQMA-UHFFFAOYSA-N 457.579 1.865 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCCN(CC(F)(F)F)CC1 1722697871 SIRLTIZEKOCNEO-UHFFFAOYSA-N 469.468 1.382 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(CC(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722731566 NUBGVDSXFQRURB-IBGZPJMESA-N 495.568 1.604 30 10 JDEE CCN(CCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)S(C)(=O)=O 1728495798 GGVMAEIEFIENBG-RTWAWAEBSA-N 488.614 1.903 30 10 JDEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)C1 1728934377 BHCZCMFDIRVPSM-UHFFFAOYSA-N 454.531 1.042 30 10 JDEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)N(C)C 1729999240 GFMSGXDTPHDWHP-CQSZACIVSA-N 454.940 1.227 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2ncnn2C(C)(C)C)c1 1740561863 JQBLCSUIXVFXBH-UHFFFAOYSA-N 477.573 1.867 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1740592435 XRCJWTGIGBQLTP-HNNXBMFYSA-N 461.510 1.489 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1N1CCCC1 1740610563 FOIIRNALJOZAIH-HXUWFJFHSA-N 476.578 1.468 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCOC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1740619308 HOIQSFDWHWEBEG-RBBKRZOGSA-N 483.594 1.887 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1740625288 PJRFNFHUGJUNKM-XUVXKRRUSA-N 450.605 1.689 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCN1CCC[C@@H]1CO 1740639533 WFDCBEORCJOGEG-HXUWFJFHSA-N 473.581 1.502 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1740710928 DWYSUGJRNUTRBM-GOSISDBHSA-N 490.655 1.524 30 10 JDEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1740738846 QNIPAHNVKIMEFQ-GDBMZVCRSA-N 480.388 1.972 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)OC)CC1 1740787929 MEEMHVPBWPGUAC-UHFFFAOYSA-N 463.560 1.830 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1740788934 ZQFDUJYMRRDODP-OAHLLOKOSA-N 464.548 1.952 30 10 JDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(S(C)(=O)=O)CC1 1740884812 NPIIBUIONGIIKA-UHFFFAOYSA-N 486.598 1.798 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C(N)=O)C1 1740958239 LVIRWVDEQLPRLE-IAGOWNOFSA-N 475.594 1.397 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(F)F)cc1 1748671267 ICNFJROJCXDHPU-WMLDXEAASA-N 469.514 1.719 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1748816131 XLEQYAKYONFEIV-CYBMUJFWSA-N 455.487 1.678 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1748818921 HQQGGBRYTQLAMO-LJQANCHMSA-N 453.572 1.289 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1748835450 CWBURHNANHWKHF-QHCPKHFHSA-N 472.567 1.363 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1748887227 YGUZPDQQJQSRPT-UHFFFAOYSA-N 452.540 1.182 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCCS(C)(=O)=O)CC1 1749008977 JYXPEPLKMCQHBJ-UHFFFAOYSA-N 482.610 1.837 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1OC 1749065760 BCQXBLRYWXGHFU-DENIHFKCSA-N 477.562 1.799 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1749401697 CJSLASWQFVGQQH-QRVBRYPASA-N 453.609 1.830 30 10 JDEE C=CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749407142 VPUXIMLKQYYHDS-LJQANCHMSA-N 452.559 1.977 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1749658194 HVPHVOVRTKXLAO-XLIONFOSSA-N 465.558 1.486 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1749659538 GQHDSUJNYKHGDS-UHFFFAOYSA-N 490.586 1.274 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749661080 XOBJLVNLSKVABT-UHFFFAOYSA-N 488.552 1.858 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(OCC)c2)C1 1749712377 IPMCAZNDPGKXQN-SFTDATJTSA-N 491.614 1.839 30 10 JDEE CS(=O)(=O)N1CC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@H](C#N)C2)C1 1750208247 ABQYVYYEOMXYBN-UKRRQHHQSA-N 468.942 1.748 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCCCO2 1760117393 OHQURFRVAPBWDB-OXQOHEQNSA-N 475.571 1.279 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760181122 PWFFFWHAWHMFAL-LJDSDSDDSA-N 468.620 1.832 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1760187893 LQTPPSHPYMKZTD-ROUUACIJSA-N 453.634 1.195 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(NC(C)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1760192647 LMGCHSWYXMZVDI-QZTJIDSGSA-N 458.544 1.158 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(C(N)=O)CCOCC2)CC1 1760267092 DEIGPHPCCYRRSE-UHFFFAOYSA-N 485.976 1.241 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760277345 HVMXRKUSTFHRRS-UHFFFAOYSA-N 484.582 1.849 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)NC(C)C 1760298471 JOSRUCGLPJWCSE-HXUWFJFHSA-N 464.617 1.590 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(NS(=O)(=O)CC)CC2)nnc1[C@@]1(OCC)CCOC1 1760328052 PWEHYYJWGDCULB-GREBRCKQSA-N 497.662 1.820 30 10 JDEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760345596 IURIBLXZQVLVMI-SJORKVTESA-N 473.578 1.116 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(F)(F)F)CC1 1760548706 NIAOMSSBFJBXNB-CYBMUJFWSA-N 487.570 1.658 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1760554617 IJIZAFWQWDUUKL-UHFFFAOYSA-N 463.579 1.862 30 10 JDEE N#Cc1cccc(NC(=O)[C@H](CO)NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)c1 1866625854 VLTAPZWCEJVQCV-IBGZPJMESA-N 476.942 1.871 30 10 JDEE C[C@@H](NC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1)C(=O)Nc1ccc(C#N)cc1 1866649482 VSUYPNXJHZQKHC-AUUYWEPGSA-N 475.548 1.276 30 10 JDEE CN(C)c1cccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1870155241 CUELRMGABPEACD-UHFFFAOYSA-N 460.410 1.348 30 10 JDEE C=CCn1c(C(=O)N2CCN(C(=O)OCC)CC2)cc2c(NCCCN3CCCC3=O)ncnc21 1875226583 LHGHFAWOFOZDAX-UHFFFAOYSA-N 483.573 1.956 30 10 JDEE CC(C)N1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc4oc(=O)n(C)c4c3)CC2)CC1 1889872875 NDBXSPVPYLVUSH-UHFFFAOYSA-N 490.626 1.331 30 10 JDEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1 1891951695 NGUAWDNTVLLNBI-SFHVURJKSA-N 455.540 1.819 30 10 JDEE N#CCNC(=O)C[S@](=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990675281 RRKMWTPRLPGFET-NLINSNCNSA-N 469.519 1.757 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CO)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247881413 XJUCOIVXDIPHSQ-ZDUSSCGKSA-N 462.399 1.211 30 10 JDEE CO[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C[C@@H]1NC(=O)OC(C)(C)C 2255634240 OATHSSDRSRPRHE-UONOGXRCSA-N 453.370 1.806 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255657305 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CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1O 2267547696 NDXKFXKZADSCLB-YUELXQCFSA-N 467.397 1.836 30 10 JDEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)cn1 2268649256 BQFARVWPIMDYDC-GFCCVEGCSA-N 464.357 1.197 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)O1 2268710741 JDCGBRFJMNQDPP-OLZOCXBDSA-N 468.385 1.660 30 10 JDEE CN(C[C@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCO1)C(=O)OC(C)(C)C 2281828927 QZAWTIALGZFNFO-HNNXBMFYSA-N 464.372 1.427 30 10 JDEE Cc1nn(C)c(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2281990689 QAJIUWPEGNSRJO-HOTGVXAUSA-N 460.384 1.967 30 10 JDEE CN(C[C@@H]1CCCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)OC(C)(C)C 2282105037 FLRZUGMFQYRRFJ-HNNXBMFYSA-N 463.388 1.976 30 10 JDEE COC[C@]1(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN(C(=O)OC(C)(C)C)C1 2282623248 DAEYKFUXAUXCCJ-QFIPXVFZSA-N 462.356 1.532 30 10 JDEE 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CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCS(=O)(=O)Cc2ccccc2)CCOC1 1547917701 BIJGWSHIVVPKEQ-NZQKXSOJSA-N 489.598 1.664 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)CC1 1568076971 QQTIGRWGYSMAJR-UHFFFAOYSA-N 455.536 1.472 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1588041279 WAPIDLNRBHQZGJ-QGZVFWFLSA-N 496.611 1.024 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588049692 KVLXRDCPZRFRGO-SFTDATJTSA-N 467.599 1.608 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1588074021 HKZUXQLXAYDXHP-NLWGTHIKSA-N 479.647 1.740 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)N(C)C 1588233961 XELIXKAAMGUBOZ-FGZHOGPDSA-N 484.626 1.377 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCOC[C@@H]2C1 1589006214 CEAVGRQGVKAAPG-IBGZPJMESA-N 490.655 1.083 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1589069611 MJLRVRSKBBJCDK-XMSQKQJNSA-N 460.625 1.953 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OCCOC)C1 1589296027 MXSNXPZLVKTNOP-UONOGXRCSA-N 466.402 1.429 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1595109403 YSDPPAHLBWJZGP-QFIPXVFZSA-N 459.572 1.256 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@H](CO)O1 1595262044 YYGWDYDBLAUDGJ-NZSAHSFTSA-N 450.561 1.548 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1595537553 SKKDWNUNEOMUJU-IBGZPJMESA-N 467.574 1.171 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1595551147 MNJWMVGNISGKML-MAUKXSAKSA-N 480.566 1.250 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@H](C)O[C@H](C)C2)cc1 1595614474 VIJBFLKGDZCXMG-LVCYWYKZSA-N 491.614 1.838 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cccc(OCCN(C)C)c1 1611676720 BXJKVJOAGDIMKL-KRWDZBQOSA-N 475.619 1.617 30 10 JDEE CCO[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N)c1ccccc1 1616119659 BREGLXGYTBCLKZ-SXLOBPIMSA-N 476.603 1.985 30 10 JDEE C#CCN(C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)[C@H]1CCOc2ccc(Br)cc21 1628057242 BQBQPAWNTKSSET-JZLODUJNSA-N 458.312 1.845 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1690013402 NHTOMDGHGNWVFL-VWLOTQADSA-N 459.554 1.204 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc2c(c1)OCO2 1690077815 XKEKKHJXETUFSP-HXUWFJFHSA-N 489.598 1.777 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(OC2CCOCC2)c1 1690092527 LSVNPJGHVMCLPH-UHFFFAOYSA-N 468.558 1.601 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2ccc(Cl)cn2)CC1 1690110339 HTACNBDVRXBAMD-UHFFFAOYSA-N 466.933 1.808 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@](C)(O)c2ccco2)CC1 1690138089 RPUAIFVRIUNTTC-LOSJGSFVSA-N 485.585 1.785 30 10 JDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N1CCOCC1 1690593208 WYGNTOXGKAADQY-UHFFFAOYSA-N 463.542 1.619 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCS1 1690622458 PYESHPOYCBJLSJ-DLBZAZTESA-N 459.638 1.536 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1690724673 UEERSCMXKWDPIO-SFHVURJKSA-N 471.649 1.541 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1690726487 BTGXWSVHCZDUQP-UHFFFAOYSA-N 465.605 1.538 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1690746641 FOAPUPJQPDIHDB-ZWKOTPCHSA-N 455.650 1.258 30 10 JDEE CC[C@H](C)NC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1694227590 BNRMMZYDKPFDNF-WMZOPIPTSA-N 481.623 1.046 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1cnn(C)n1 1705495080 KJAXNFSPJUBNIM-AEFFLSMTSA-N 458.567 1.806 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1705584265 DDHIOQVIUWKVGN-UHFFFAOYSA-N 453.550 1.686 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1705830906 XTFRSLPQIOFGOS-OTWHNJEPSA-N 469.608 1.352 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccc2OC)C1 1705925161 LTSGVEIKFVWVDA-PZJWPPBQSA-N 491.614 1.644 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(C)noc2C)C1 1705925939 WJKSBLCVDKAHDQ-SJLPKXTDSA-N 466.564 1.045 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCc2ccccc2C1 1708757008 BOGCLCUPGSKWSG-NRFANRHFSA-N 451.575 1.984 30 10 JDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722332091 CRRYDBNHZCVRBR-QZTJIDSGSA-N 473.578 1.556 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-c2ccsc2)nc1 1722353471 WRSDGEQKWXWLME-LJQANCHMSA-N 472.596 1.852 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1722364148 JNJPJYVOKGMRRP-ROKPMTFOSA-N 488.610 1.813 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1722367818 XMVFKWHYFQRGEC-HKUYNNGSSA-N 491.639 1.247 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1722387429 MCRASWMLZDWIIQ-HSZRJFAPSA-N 460.582 1.878 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1722396710 JXLIITZMJBRYIP-PKTZIBPZSA-N 494.665 1.854 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](COC)OC)CC1 1722441518 SADGEMURSWMWOM-OAQYLSRUSA-N 482.585 1.774 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1722492436 SJMKXNHRRHEPSQ-SIRPWMCASA-N 477.653 1.127 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722696536 BIBCPQUMLSVWQP-KRWDZBQOSA-N 470.555 1.916 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCOc1ccc(S(C)(=O)=O)cc1 1740653077 YWBLNOCGKHRUNW-UHFFFAOYSA-N 452.540 1.624 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCS(=O)(=O)C2)CC1 1740690118 HAQBKCKZPJPSFN-QZTJIDSGSA-N 461.563 1.747 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCc2cccc(C(=O)NC)c2)CC1 1740703784 ADNKRDHELHLWHX-UHFFFAOYSA-N 471.565 1.908 30 10 JDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1740782167 FUFAFYGTYXNYJT-BDXSIMOUSA-N 481.619 1.875 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(C)(C)OC[C@@H]1C 1740953265 ZUFWCRCYCYWRGX-HNNXBMFYSA-N 475.619 1.853 30 10 JDEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N1CCOCC1 1741311189 HNJJCFRDDUFFSS-NHCUHLMSSA-N 472.615 1.797 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1748671204 GXSGDCSJTGNQQD-YLJYHZDGSA-N 498.613 1.315 30 10 JDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1748748338 XDSYNBOFSLCRRT-FQEVSTJZSA-N 450.543 1.890 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1748819383 NYPTZEIRUGLWBJ-FPOVZHCZSA-N 470.599 1.149 30 10 JDEE C=C(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1749244836 VURGOSCJZDUAQF-LJQANCHMSA-N 465.558 1.116 30 10 JDEE C=CCNC(=O)Cn1c(N2CCCN(Cc3nc([C@H](C)OC)no3)CC2)nnc1C(C)(C)C 1749681447 BIDYGHUPVLNDDW-INIZCTEOSA-N 460.583 1.681 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1749740541 WDZHQLZHQFMGGE-SJORKVTESA-N 466.491 1.711 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1749754902 BYITZHFCIGTGJI-DOTOQJQBSA-N 452.606 1.411 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCCC2)C1 1760138361 XCKVGOBULAXSJF-IBGZPJMESA-N 465.620 1.954 30 10 JDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H](N1CCOCC1)C(F)(F)F 1760251403 ZPULJZPASWJUMP-SFHVURJKSA-N 469.512 1.489 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1760280742 IJVMOJGRQAWVHQ-PKOBYXMFSA-N 493.659 1.225 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1760358414 VXSWFSLLBHUDDN-OTWHNJEPSA-N 469.608 1.067 30 10 JDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1760451997 AKLQXZJCWLCJDM-HXUWFJFHSA-N 477.635 1.737 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760486259 INDXLJDJRPEUTP-BEFAXECRSA-N 451.574 1.033 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCC[C@H](C)C1 1760495396 NCWKVMQBPWTGKU-ZCNNSNEGSA-N 466.652 1.910 30 10 JDEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1760509620 VKMRBVRQOQZKDQ-UHFFFAOYSA-N 451.531 1.717 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1760510109 GUZJSMNZCAFIPB-IBGZPJMESA-N 463.608 1.527 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cccc(C(=O)N(C)C)c2)C1 1760541607 FHLRVSGCJZWEHI-VQTJNVASSA-N 452.559 1.955 30 10 JDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCNC(=O)c1ccccc1F 1767942332 DCUBKBYHMYLDCR-KRWDZBQOSA-N 493.547 1.760 30 10 JDEE C[C@H]1CN(CCN(C)c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)C[C@@H](C)O1 1770676085 DLWYUUIZKYQLHT-HDICACEKSA-N 474.569 1.904 30 10 JDEE C=CCN1C(=O)C(NCCc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(OCC)cc2)C1=O 1863568735 NQJFYKSXNOCECN-UHFFFAOYSA-N 455.536 1.831 30 10 JDEE CN1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)cc2)CC1 1870149564 LKABLYUZUZJRCV-FQEVSTJZSA-N 484.564 1.878 30 10 JDEE CCCCCCCCN1C[C@H](C(=O)N2CCC(C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)CC1=O 1872927041 VGJUPQYROGIPNH-UXHICEINSA-N 469.648 1.737 30 10 JDEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CCN(c2ncccc2C#N)CC1 1892096264 ZSMGVHJORIHKQG-IBGZPJMESA-N 456.572 1.408 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@@H]1C(=O)N1CC[C@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2194129112 SJYKAOQQKBIVBL-MYGCXJKPSA-N 466.384 1.802 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H](CO)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247881579 AJXQDPQUZAEYHQ-LBPRGKRZSA-N 462.399 1.211 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2255836081 SRSFYGIKLQQLDR-KBPBESRZSA-N 453.370 1.542 30 10 JDEE C[C@H](CN(C)C(=O)OC(C)(C)C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2255943763 UQBXTCQOIDXDQI-CYBMUJFWSA-N 458.390 1.253 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@H]2C[C@]21C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 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CO[C@@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)N(C(=O)OC(C)(C)C)C1 2267520524 NQQPVEAMABUMFA-UONOGXRCSA-N 450.345 1.463 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(S(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2267706682 CUWPZNDNSQYSJZ-AGGWBTHJSA-N 485.437 1.727 30 10 JDEE C[C@H](CCN(C)C(=O)OC(C)(C)C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267708928 SWWLQLNRHSHTQV-CYBMUJFWSA-N 473.405 1.038 30 10 JDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@]3(O)CCN(Cc4ccccc4)C3)c2)OC1(C)C 2267711295 JHQRSWMTCXOUHL-JOCHJYFZSA-N 478.445 1.963 30 10 JDEE C[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268633133 QOOOZHAGBXYRPB-DGCLKSJQSA-N 468.385 1.388 30 10 JDEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2281971017 TVEYKAYHMIPZPR-XUJVJEKNSA-N 458.290 1.637 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCO[C@H](CCNC(=O)OC(C)(C)C)C2)n1 2282037461 VZKHWKXCSRLKCS-OAHLLOKOSA-N 464.372 1.475 30 10 JDEE 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CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282832982 FBSAYJNRXAQKOO-HNNXBMFYSA-N 486.444 1.937 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CNS(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)[C@@H]2C1 2282868943 VGWSGLJJGQZIDF-NNZMDNLPSA-N 479.408 1.772 30 10 JDEE Cc1nc(S(=O)(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282880424 IZQAGDOJBGJVNE-UHFFFAOYSA-N 484.428 1.706 30 10 JDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CCS(=O)(=O)C1 2284065217 DZSOEUBZPULCQZ-NRFANRHFSA-N 481.380 1.401 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](CN(C)Cc1ccccc1)C(=O)O 2284422806 IGPMYWZFEUGCBK-GOSISDBHSA-N 456.352 1.517 30 10 JDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2287010572 VOAGBZLCQLHPLJ-CQSZACIVSA-N 461.372 1.586 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2313848333 JOGCXKLDUPMDQU-MCIONIFRSA-N 458.386 1.475 30 10 JDEE 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469.615 1.485 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1286487365 VJUDOTGNWHPQDZ-IEBWSBKVSA-N 465.558 1.442 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCCC[C@@H]2C)CC1 1286490483 MAIOJCJRFJADEY-AZUAARDMSA-N 455.607 1.460 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286544711 YRHQBXOVKXIQDV-QGZVFWFLSA-N 458.382 1.324 30 10 JDEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)COC)CC1 1286682883 WXAITQUSKFEHQB-UHFFFAOYSA-N 451.535 1.572 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(=O)N(C)C)CCCC1 1286758610 SFXNTMJOQINBAT-SFHVURJKSA-N 480.635 1.438 30 10 JDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1286769117 RFOJWJZYJCXIHV-UHFFFAOYSA-N 466.546 1.052 30 10 JDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1286774695 CGOZNFGTMJXELW-SFHVURJKSA-N 459.572 1.266 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1286789609 GJUKZAQYUQMBPA-LJQANCHMSA-N 452.567 1.492 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1286791226 VDGJVCMJUTYODZ-CQSZACIVSA-N 485.536 1.645 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1286848467 PIQVQYCRLCQBOX-IJCFDHGGSA-N 481.532 1.915 30 10 JDEE CC[C@H](C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1291664227 AADQLBCVWITMOD-BPXKWBHBSA-N 459.572 1.791 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccn(-c2ccc(F)cc2)n1 1300270807 FJWOCZSTZXNVOO-HZPDHXFCSA-N 459.551 1.914 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1300479332 LVLVQUNEBMGLTO-IBGZPJMESA-N 496.597 1.443 30 10 JDEE C#CCN(c1nnc(CC)n1C[C@H](C)N1CCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 1300499784 WZTLJTDDJAKJMG-RBBKRZOGSA-N 470.643 1.678 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)C(C)(C)C 1300643606 SDBUJIFHJGEAEC-INIZCTEOSA-N 478.594 1.830 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCOCC2(C)C)CC1 1300732424 NDQNZPJDWDACBN-SFTDATJTSA-N 488.633 1.079 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)[C@H](C)C1CCC1 1300762659 LCWNCSRLKYCGBF-AEFFLSMTSA-N 455.650 1.992 30 10 JDEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1301119694 SHDLVGVANLXXJL-QFIPXVFZSA-N 462.572 1.914 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1CC(=O)N1CCOCC1 1301337426 GPYGGLNWSBUGOW-UHFFFAOYSA-N 468.558 1.461 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1301478019 GSMOQPZSXOKCGG-UHFFFAOYSA-N 463.498 1.983 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1301500261 KOUKYOHNMWUSSL-UXHICEINSA-N 473.599 1.320 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C)C1 1301579535 VDPIZROEQVAFGC-OAHLLOKOSA-N 452.606 1.685 30 10 JDEE CCCN(C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1306782267 DBRNWTOEAREMEJ-CVDCTZTESA-N 472.615 1.534 30 10 JDEE C=C[C@@H](C)ONC(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1312950173 HUVMPCTTYWWWEP-OAHLLOKOSA-N 455.537 1.963 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(C)C)nc1 1358889818 HCQXMUFBSSZOGO-SJLPKXTDSA-N 462.576 1.299 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358961134 SFASKKFXJCIFSZ-FQEVSTJZSA-N 453.572 1.442 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1358985529 AUYNSBFLVQZPDT-VGSWGCGISA-N 460.531 1.570 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ncc(C)s1 1359023923 ATTYIKMLFMGFGK-WBVHZDCISA-N 482.632 1.266 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2=CCCOC2)CC1 1359029013 LVYPNMZGMLJRDS-UHFFFAOYSA-N 454.962 1.963 30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCCS2(=O)=O)CC1 1359161594 KADBKXFTRGQPQE-UHFFFAOYSA-N 465.601 1.541 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ccc(O)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1359305616 ILYDIHUGKZHHOH-QHCPKHFHSA-N 456.547 1.265 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1359324304 IFVZXBIZTYHAGT-MOPGFXCFSA-N 463.608 1.203 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(S(C)(=O)=O)CC1 1359330503 UHEWBZWRAXNGKH-UHFFFAOYSA-N 468.601 1.568 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1359335799 VIOQURQAMKMHQE-RBUKOAKNSA-N 477.562 1.844 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCN(C(C)=O)C3=O)c2C)cc1 1449399329 KQXMPOJJYPUYDM-UHFFFAOYSA-N 454.508 1.947 30 10 JDEE C=CCN(CC(=O)Nc1sc(C(=O)NC)c(C)c1C(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1459689168 RLQVVTXNDAQTSI-CYBMUJFWSA-N 457.574 1.206 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CCO1 1503770949 GZOLKJRROAETOG-OPYAIIAOSA-N 451.575 1.888 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccs1)N1CCCC1 1507539366 VHBKMXNHPAETGF-FHWLQOOXSA-N 492.671 1.968 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(C)CN(C)C2=O)c1 1507548977 DIXQKGMRLHKUFN-CLJLJLNGSA-N 494.596 1.853 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCCC2)c1 1507550642 NSWBOJXEMNWPSI-IBGZPJMESA-N 470.599 1.332 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(CC)CC)cc2)CC1 1507722465 XVSXPSDJLYTMTA-LJQANCHMSA-N 473.647 1.538 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2nccs2)CC1 1507730261 PWKOZGDPSFHFIL-KRWDZBQOSA-N 473.603 1.847 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC2(N(C)C)CCOCC2)CC1 1507736177 GSNFMEJOORGAST-UHFFFAOYSA-N 451.575 1.417 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=C)Br)CC1 1507739418 PVDVNHNZGKHMFW-HNNXBMFYSA-N 470.393 1.055 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nnc2n1CCCCC2 1507811531 BAKNMHCXONCZMY-INIZCTEOSA-N 450.613 1.851 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC[C@H]1OC 1507820785 MZYYZXRWGAZZSK-OKZBNKHCSA-N 457.597 1.065 30 10 JDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1507830578 JJWCHNXDIBOTST-QZTJIDSGSA-N 498.650 1.928 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1507832339 YWUSJMIYDDYUMW-QZTJIDSGSA-N 468.624 1.320 30 10 JDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507853293 DORAJAWVFMOKBS-UHFFFAOYSA-N 458.954 1.422 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cnn(CC)c1 1508087228 BZIRBWXBEUUEIU-UHFFFAOYSA-N 464.578 1.607 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(O)CCOC2)C1 1508108761 IMNCRNYJEKFENL-XMSQKQJNSA-N 461.950 1.794 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1508146549 YQDXITHTAMFTQM-KRWDZBQOSA-N 452.625 1.011 30 10 JDEE CC(C)(Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1508713617 CUNRQNQIYSDURR-QFIPXVFZSA-N 476.578 1.901 30 10 JDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CC1 1513186148 BKHICJPROLXEJC-SFHVURJKSA-N 462.562 1.145 30 10 JDEE CO[C@@]1(Cn2c(C(=O)NC(C)C)nnc2N2CCCN(Cc3ccc(C#N)cc3)CC2)CCOC1 1517924327 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C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@](CO)(NC(=O)OC(C)(C)C)C2)c1 1558633228 VZEPAIMCZGTBHP-NRFANRHFSA-N 451.545 1.090 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1587673969 TZYNYZGSGAWRSX-MSOLQXFVSA-N 461.588 1.995 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(C)n(C)c1=O)[C@H]1CCS(=O)(=O)C1 1588041598 YJTBAILFJUNKCU-FQEVSTJZSA-N 481.578 1.636 30 10 JDEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1588050890 XCMKASPYIIPRAP-KRWDZBQOSA-N 498.609 1.463 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1588068860 AWYAGULDRMXFHC-UGKGYDQZSA-N 460.604 1.582 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)OCCO2 1588181554 WYJXSTHNJOYDTE-KRWDZBQOSA-N 457.556 1.365 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)NC(=O)OC(C)(C)C 1588228708 KILLIXGHIMTBFN-KRWDZBQOSA-N 463.604 1.946 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc(N3CCCC3=O)c2)CC1 1588751551 LYKNXSVEMGKERE-FQEVSTJZSA-N 466.586 1.932 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCNC(=O)c2cccc(O)c2)CC1 1588848432 FQMXAJGMVMKKDB-UHFFFAOYSA-N 459.554 1.545 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1588930483 XKONGVWSIMQUHU-CTNGQTDRSA-N 456.591 1.744 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ncccc2F)CC1 1588984455 HORVDGVXILZCRD-MRXNPFEDSA-N 481.623 1.506 30 10 JDEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1594807458 PFJJZNDPUAGEJT-UHFFFAOYSA-N 487.586 1.658 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)NC)CC1)C(C)C 1595165140 AQQSXTUYGQVYDI-FQEVSTJZSA-N 472.638 1.674 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)COC)CC2)cc1 1595608314 QNSZKVDNOXWHDS-UHFFFAOYSA-N 456.547 1.324 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(C)c2)CC1 1595753907 KJNZVMIXXSYNGW-UHFFFAOYSA-N 472.615 1.750 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(N2CCCCC2=O)CC1 1595797813 IVKPXWKXPXWJIE-GOSISDBHSA-N 465.620 1.754 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 1595830631 DQSQNPPALZTMDM-QZTJIDSGSA-N 488.676 1.811 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1 1596831009 HNTJCBMSOPEQLL-CRAIPNDOSA-N 450.540 1.589 30 10 JDEE C#CC1(O)CN(C(=O)c2cc(I)cc(I)c2)C1 1603217099 NXGSDYDCRVWXRV-UHFFFAOYSA-N 453.017 1.716 30 10 JDEE CCCCN(C)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1614497179 FPCIYOJIZMQJNC-UHFFFAOYSA-N 453.595 1.741 30 10 JDEE N#C[C@]1(F)CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1620347742 BLNBYLCKVKEKKD-HSZRJFAPSA-N 453.522 1.716 30 10 JDEE CCOc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3OC)CC2)cc1 1660788524 AMANBCSGZIQNCP-UHFFFAOYSA-N 458.540 1.911 30 10 JDEE C#CCN(C(=O)NCCS(=O)(=O)NCC1CCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1668497097 JTZVJFGVZRWTSS-UHFFFAOYSA-N 456.609 1.750 30 10 JDEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(S(=O)(=O)c3ccc(C#N)s3)CC2)cc1 1669547220 GBWXPQLNONXIMJ-UHFFFAOYSA-N 459.596 1.789 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCN2CCN(C(C)=O)CC2)c1 1689872421 YGGLEJGGLHABIX-OAQYLSRUSA-N 479.585 1.002 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1689978278 RDLVGPAIKJJLTK-MSOLQXFVSA-N 451.593 1.392 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCOc2ccc(OC)cc2)CC1 1690144244 RDULNYNYKWDNKG-UHFFFAOYSA-N 461.526 1.789 30 10 JDEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1690156586 ZACSYUKLCRSBES-SJLPKXTDSA-N 473.002 1.943 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1690170783 QMIJZDUZBNILFC-MSOLQXFVSA-N 480.660 1.426 30 10 JDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1690174551 FCRTXNJGPIORAV-RCCFBDPRSA-N 493.630 1.899 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(COC)CCC1 1690206295 NAVWEZRMLMVNDG-GHTZIAJQSA-N 465.620 1.810 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ncc(Cl)n1C 1690464681 IKDIGKCEEGUUFE-OAHLLOKOSA-N 472.015 1.991 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2nc(CC)ns2)CC1 1690471053 SNKWIJUDASMWGJ-OAHLLOKOSA-N 468.653 1.985 30 10 JDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCCN(S(C)(=O)=O)CC1 1690507613 QQWOYJMRVGXPBV-UHFFFAOYSA-N 466.564 1.070 30 10 JDEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCO[C@@H]1C)C1CC1 1690539618 GLIUIQFRQHKIRZ-ZHRRBRCNSA-N 461.588 1.890 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(Cn2ccnn2)CC1 1690665747 OHLMMOSJKWGOHI-UHFFFAOYSA-N 466.546 1.773 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCCCC2=O)CC1 1690678007 HVWQLKPUOORRTF-UWJYYQICSA-N 460.579 1.286 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3cccc(F)c3)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690678152 MRYBKIORLMIECQ-XMMPIXPASA-N 486.548 1.613 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1690711819 ISTBCURKSUXFAB-SJORKVTESA-N 479.628 1.876 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1690714296 JMHDSRWXURSJDB-HSZRJFAPSA-N 486.598 1.607 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1690720490 KOPYNGFPVQYLTN-UHFFFAOYSA-N 464.555 1.534 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCCC2)CCOCC1 1691003274 FHPSZIQVFBKBAG-QZTJIDSGSA-N 450.609 1.421 30 10 JDEE CC(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CC1 1692494141 CRSHZTLQBZTJQY-FQEVSTJZSA-N 453.591 1.980 30 10 JDEE CCCNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1695420491 FFXKMYSRPSUVSR-KRWDZBQOSA-N 485.614 1.970 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1705524552 OJDDGEQGIHYXCV-LJQANCHMSA-N 493.678 1.072 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1705534356 GJMSKPLGYCSPSA-FZYZMVIOSA-N 479.628 1.398 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1705561017 MUDREDIGHQTCJB-TZYHBYERSA-N 480.631 1.498 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCOCC1 1705595904 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C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(-n2cncn2)c1 1705876123 POIPHIOESKCHDA-FQEVSTJZSA-N 484.586 1.418 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1705907230 DZZYFCVYSNTNPT-UHFFFAOYSA-N 458.567 1.499 30 10 JDEE C=CCNC(=O)Cn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 1705907928 CAPMQEJKSGUVGJ-QHCPKHFHSA-N 467.530 1.156 30 10 JDEE C[C@@H]([C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1ccn(C)n1)S(C)(=O)=O 1706085871 DZBGVQQSCMZADX-SJORKVTESA-N 471.587 1.963 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccnc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1722359569 OWPVKBVYIXKKMA-LJQANCHMSA-N 485.566 1.942 30 10 JDEE C#CCN(c1nnc(CC)n1CCS(=O)(=O)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1722367110 LWXRFZSDEVTDJW-SFHVURJKSA-N 450.586 1.082 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCn2cncn2)CC1 1722442762 BKVIERDOMCJMEE-UHFFFAOYSA-N 464.530 1.220 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1722448496 VQVDJDUYJQCQDF-HKUYNNGSSA-N 474.606 1.909 30 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C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760527133 NOGPVMWRZUGWKW-JOCHJYFZSA-N 495.584 1.141 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC1([S@@](C)=O)CC1 1761472619 DQBMTDUSGWXWJQ-LHEBDHONSA-N 476.628 1.840 30 10 JDEE CCCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CCS(=O)(=O)NC)c2ccccc2c1=O 1766164543 AQDRMRZGHWZKMP-OAHLLOKOSA-N 472.575 1.353 30 10 JDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1CCN(C(C)=O)CC1 1766408611 HTDDVFCUNFACFL-KRWDZBQOSA-N 467.578 1.450 30 10 JDEE CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1766685870 HHIMLUGACUBSAY-MRXNPFEDSA-N 484.561 1.896 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)CN(C)C)C1 1767251235 CFUHOWJNCFSFMY-LJQANCHMSA-N 459.620 1.923 30 10 JDEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NCC(F)(F)F 1770543694 BOUSOGXFXICFEP-ZDUSSCGKSA-N 470.477 1.986 30 10 JDEE CO[C@H]1COCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1770659218 DAWNCCFLOSSWAN-OALUTQOASA-N 468.562 1.061 30 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Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 2267715066 RGLYQUOWKHNPCQ-DZFIZOCASA-N 458.393 1.128 30 10 JDEE CC(C)(C)OC(=O)N[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)[C@@H](O)C(F)(F)F 2268719073 XZXILJIVYLXNLI-DTWKUNHWSA-N 482.290 1.014 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccco2)n1 2281953546 MADSMGKQRMOXAF-ZDUSSCGKSA-N 461.328 1.703 30 10 JDEE C[C@@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1C(=O)OC(C)(C)C 2282286663 ONQIUJXTDAWZAL-CQSZACIVSA-N 485.416 1.134 30 10 JDEE CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282331392 MTZJPLNTGIUEGN-OAQYLSRUSA-N 486.444 1.937 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282347015 RRHXMFFXIMGZJK-MAUKXSAKSA-N 482.408 1.804 30 10 JDEE CCn1cc(C(=O)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282540427 JVDCFTHJTBFLOW-OAHLLOKOSA-N 464.372 1.568 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCN(CCOC)C(=O)OC(C)(C)C 2282608303 SOILXIUZQPAQIO-UHFFFAOYSA-N 466.388 1.816 30 10 JDEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282834084 OXTSFNPDHKQXPY-HNNXBMFYSA-N 486.444 1.985 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)n1 2282835765 AZZFBJOTLIEEQQ-CABCVRRESA-N 484.428 1.689 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@@H]2[C@@H]3C[C@H]3CN2C(=O)OC(C)(C)C)n1 2282835794 BKKOWSMTOVZXNS-SQWLQELKSA-N 482.412 1.253 30 10 JDEE C[C@H](NC(=O)[C@H]1CNC(=O)CN1C(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2283957924 TYVOFAHVXKUZCD-DZGCQCFKSA-N 479.408 1.960 30 10 JDEE Cc1ccc(NC(=O)[C@@H]2[C@@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2284049317 SMZAAEYLJGZPMU-SQNIBIBYSA-N 462.352 1.574 30 10 JDEE Cc1ccc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@]23C(=O)N(C)c2ccccc23)o1 2296160521 WSTFPQIOKUJFST-VWLOTQADSA-N 465.506 1.863 30 10 JDEE CO[C@@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2317602074 AZTPNXZHQBZPBS-ZDUSSCGKSA-N 476.426 1.865 30 10 JDEE CCc1cccc(OC[C@@H](O)Cn2c(NN=Cc3cccc(O)c3)nc3c2c(=O)n(C)c(=O)n3C)c1 2328613670 PGAKQNFIPOHNQV-IBGZPJMESA-N 492.536 1.588 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)[C@H]2CS(=O)(=O)C[C@H]21 2334272256 FNWIEQQTOVMWCC-LVQVYYBASA-N 470.397 1.714 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2334274085 ZLFDFBBQTKBBPG-BPLDGKMQSA-N 468.385 1.005 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2358276333 WAGFSOQBECUBCF-DJIMGWMZSA-N 463.340 1.051 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(NC(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2359271590 RBRSRTSTZQTYMG-VBURHUQHSA-N 459.352 1.935 30 10 JDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(NC(=O)[C@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)c1 2359392690 SXVXDVAGRUMUBO-KSZLIROESA-N 462.352 1.574 30 10 JDEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)cc1 20806063 CDHGZQDRSSVPRR-FOKLQQMPSA-N 483.510 1.727 30 10 JDEE CN1C(=O)/C(=N\NC(=S)Nc2ccccc2F)c2cc(S(=O)(=O)N3CCOCC3)ccc21 100492405 TWGHRDJLLWMPJX-NKFKGCMQSA-N 477.543 1.514 30 10 JDEE CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 608920110 ASTFPOSCCZTNFU-UHFFFAOYSA-N 484.578 1.684 30 10 JDEE O=C(O)C#CCNC(=O)c1cn(CCNC(=O)OCC2c3ccccc3-c3ccccc32)nn1 757472691 ZOGFYAAGRLALIH-UHFFFAOYSA-N 459.462 1.635 30 10 JDEE C[C@H](OC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)Nc1sc2c(c1C#N)CCC2 914650821 BMENCSVUXBVGEF-AVGNSLFASA-N 465.553 1.014 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(CC(C)C)c2C)c(=O)n1C[C@H]1CCCO1 917356519 ZNSMJVQQGKMGLZ-HXUWFJFHSA-N 468.623 1.968 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2c[nH]nc2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1136632545 BMLJIHCAEYORHW-QGZVFWFLSA-N 458.563 1.031 30 10 JDEE C=CCn1cc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)nn1 1212242024 SDRAOVJAHKDNJB-IYBDPMFKSA-N 453.590 1.609 30 10 JDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N1CCC(C(=O)OCC)CC1 1213712176 YCQVCWSWISXVSZ-UHFFFAOYSA-N 457.593 1.841 30 10 JDEE N#Cc1sccc1N1CCN(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1 1230105707 BVEHEGGVCKGOOK-UHFFFAOYSA-N 451.496 1.765 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N2CCSCC2)CCCC1 1286296029 LWDQVHWEHBQGKK-RTBURBONSA-N 496.703 1.431 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)COCCO2)c1 1286310094 BDKBOOJFLHBWEE-MBSDFSHPSA-N 487.582 1.042 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CCCO2)CC1 1286350181 WVPQIGGEOZWKFP-RBUKOAKNSA-N 451.593 1.420 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1286383712 NFDXPZSGSMGHAK-UEXGIBASSA-N 452.577 1.124 30 10 JDEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)CC1 1286608513 RWLWEZCCSVWUQY-KRWDZBQOSA-N 469.608 1.748 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1286705381 ZCHILBUWBWHDMM-OAHLLOKOSA-N 458.485 1.612 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC=C(COC)CC1 1286781673 XAJVXMKSNRNQOV-UHFFFAOYSA-N 458.950 1.947 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC(F)(F)F 1286960322 DNNGJNPHIDOQLG-LBPRGKRZSA-N 458.466 1.623 30 10 JDEE C=C[C@@](C)(O)CC(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1299841822 HLTWZIWISPFDGY-HXUWFJFHSA-N 454.549 1.601 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N[C@@H](C)c1ccccc1 1300464434 FAPGUUNIXMPICC-AZUAARDMSA-N 474.631 1.810 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cc(F)ccc1N1CCOCC1 1300506176 ODSYGZLHUUKXOO-UHFFFAOYSA-N 450.518 1.611 30 10 JDEE COc1ccccc1Cc1nnc(N2CCC(C#N)CC2)n1CC1(O)CCS(=O)(=O)CC1 1300550966 FLWHHGUWZLKNEI-UHFFFAOYSA-N 459.572 1.557 30 10 JDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1301172997 BEQRBODDVZAHKC-KRWDZBQOSA-N 476.603 1.913 30 10 JDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1ccc(S(N)(=O)=O)cc1 1301293785 HYMYUWDGOUWFNR-UHFFFAOYSA-N 482.614 1.964 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCS(=O)(=O)C1 1301339762 SIQZPBLEBCBGSU-RBUKOAKNSA-N 454.556 1.728 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1301483666 SWKIHWSEHHMFLN-HNNXBMFYSA-N 476.379 1.929 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2csc(CC)n2)C1 1301558204 UAJFYKGPOHNXEU-QZTJIDSGSA-N 496.659 1.654 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1301577248 LVXDOCLGCHADOR-LJQANCHMSA-N 466.951 1.625 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1301586939 KQUALYQGZXGKQQ-UHFFFAOYSA-N 484.630 1.311 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCn1cc(CO)nn1 1358898941 DATHDPSMMYZBDD-WMZOPIPTSA-N 458.567 1.982 30 10 JDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1358904181 XZTGZDAEXFRUAH-OAQYLSRUSA-N 463.586 1.666 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(OC)c(O)c1)[C@@H]1CCS(=O)(=O)C1 1358955221 HUHLSLAXGFNOFV-GOSISDBHSA-N 489.598 1.586 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCSc1nccs1)[C@@H]1CCS(=O)(=O)C1 1358966787 WUXWXIKODPWVQP-MRXNPFEDSA-N 494.668 1.666 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1359024317 KPJCIENDJZLRFO-CTNGQTDRSA-N 454.575 1.927 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(=O)N(C)C)CC1 1359042285 ZOCCZPKLBVFNTD-UHFFFAOYSA-N 460.542 1.389 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCNC(=O)c2occc2C)CC1 1359043863 MFHGAEAALVXLQV-UHFFFAOYSA-N 476.541 1.422 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)C[C@@H]2C(=O)NCC1CC1 1359048697 ZMUNCSAHMXKLPS-GOSISDBHSA-N 458.632 1.915 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NCC)CC1 1359097085 KYDRQBLDTOKQRI-DENIHFKCSA-N 453.591 1.888 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)nc1 1359277337 JIVPAWHPBWMDNU-KRWDZBQOSA-N 470.555 1.551 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1359297141 GYYQEWGEXHWMRF-HXUWFJFHSA-N 459.348 1.726 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1359298105 NBINRWDVNNVKHU-HDICACEKSA-N 456.595 1.306 30 10 JDEE Cc1ccc(S(=O)(=O)NCCn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@H](C)C#N)s1 1492437546 COYANYYLWXGAOV-TZMCWYRMSA-N 451.578 1.174 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1 1507672201 VQYKENDNVSDMJY-ZCNNSNEGSA-N 473.574 1.589 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1507681021 PWQDVIJFUCEXQE-CVDCTZTESA-N 473.599 1.993 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1507732371 GKSYLUAIBSWVEI-UFYCRDLUSA-N 482.576 1.113 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccccc2C)CC1 1507738363 OCBUKUYUCQMING-IBGZPJMESA-N 450.543 1.582 30 10 JDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1507870963 QNZFEVWOIVDAJF-UHFFFAOYSA-N 478.041 1.972 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1507944871 WNZCYRVORMPSES-HZPDHXFCSA-N 459.580 1.231 30 10 JDEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1508852342 IFFVQIWTJJGGNV-PXDATVDWSA-N 482.585 1.963 30 10 JDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC1(N(C)C)CCOCC1 1512389869 HONCIEBGKWQBIL-SFHVURJKSA-N 467.574 1.506 30 10 JDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)c1 1519505903 DRCNHGWFBFAYFW-PXNSSMCTSA-N 481.575 1.758 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(C(N)=O)CCOCC2)C1 1521055451 FBBUBPSPVCMTPK-SFHVURJKSA-N 466.315 1.760 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(OC2CCCC2)c1 1539013071 HWXLOVZYGPEGBZ-PXNSSMCTSA-N 488.614 1.834 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2ncnn2C(C)(C)C)c1 1539043416 QHDGLHAQKMXHMM-GOSISDBHSA-N 475.557 1.680 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1539202340 GWSHPVBDADSJQU-WMZOPIPTSA-N 471.587 1.035 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1539229203 ABSSBEJVSKKEAQ-SFHVURJKSA-N 455.544 1.084 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1539459236 AGULSGJGPUMYRY-FGZHOGPDSA-N 468.650 1.783 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2Cc2nncn2C)CC1 1539459278 CCKLVMZVGIKPAV-UHFFFAOYSA-N 471.363 1.552 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1539462297 SAFDSGDVGNSFCP-GOSISDBHSA-N 476.578 1.033 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1539474668 WSGDIGNSMUEMGB-IBGZPJMESA-N 464.570 1.406 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)c(F)c1 1539556835 IDHYXWQICIGZIA-NZQKXSOJSA-N 491.589 1.994 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1539706198 BNHNUUNZWKCDMK-OALUTQOASA-N 465.551 1.904 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1539751161 HQYMMYMXAIUQNF-GOSISDBHSA-N 471.587 1.990 30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1539835726 IDOXSZRNXGTBSW-KRWDZBQOSA-N 479.628 1.787 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1540862358 AAEWTXOBDVICDG-WMLDXEAASA-N 462.938 1.325 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1540871834 VCCLMCIRUWTEGU-HXUWFJFHSA-N 481.601 1.462 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1540874120 VWNSYABVOOOEDA-FQEVSTJZSA-N 476.585 1.763 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1540874363 DCEZXTVFMZVLTD-MRXNPFEDSA-N 487.630 1.703 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC(=O)N[C@H]3C2)cc1 1540877235 OGWKVSONNUPSNI-WDYCEAGBSA-N 474.587 1.216 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCc3nn(C)c(=O)cc3C2)cc1 1540877317 QQABHMVHYVGXMA-UHFFFAOYSA-N 463.542 1.686 30 10 JDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1545689486 DCPXVVPZEVMLAA-SFHVURJKSA-N 466.590 1.332 30 10 JDEE CS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOC2=O)CC1 1555800465 AYNFDPCJISGQID-UHFFFAOYSA-N 488.570 1.584 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2c2noc(-c3ccccc3)n2)cc1 1567471400 SVAWHLRRNZBFEE-IBGZPJMESA-N 452.492 1.862 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)CCOC 1587640264 QJVGOEFKRHYJAR-QZTJIDSGSA-N 450.584 1.623 30 10 JDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(OCCOC)CCOCC1 1587984473 CQBDIZNDZYYULR-UHFFFAOYSA-N 469.590 1.734 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1588030517 WRQQCLXXWJAGCT-KPFFTGBYSA-N 478.546 1.599 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588034693 KMOZDPSKYWWZGN-VDZJLULYSA-N 477.612 1.403 30 10 JDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccccc1F 1588090272 VNAFQTQPTGDRGO-DEOSSOPVSA-N 453.518 1.961 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(O)cc1 1588233714 PGJZYSNLWAOGKM-FQEVSTJZSA-N 457.556 1.022 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccnc2OCC)CC1 1588885561 XILDVDHWQZQIHP-UHFFFAOYSA-N 453.547 1.224 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN(CC)C2CC2)CC1 1588962135 WCIBPVWDLCKYNX-UHFFFAOYSA-N 452.607 1.590 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccccn2)CC1 1589442962 HCEIFIHAHWWFCV-UHFFFAOYSA-N 474.363 1.667 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1593696356 NXWGHRLZMRUODL-PZJWPPBQSA-N 496.616 1.507 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](CCC)C1 1595529651 BYXUABUUCQMVBY-MRXNPFEDSA-N 461.592 1.546 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCN(C(C)=O)CC2)C1 1595700413 NTLBUBYFPABJQD-OAQYLSRUSA-N 484.601 1.908 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1595761267 YVYIYXVZNDTLST-FQEVSTJZSA-N 496.593 1.974 30 10 JDEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCSCCCO)C[C@H]2C)CC1 1596267833 MXKQKFICWDVXON-XXBNENTESA-N 497.669 1.921 30 10 JDEE C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N)c1nccs1 1611583595 GYKVIQJHGMRFHJ-RBSFLKMASA-N 453.594 1.610 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)[C@]2(C)C[C@H](O)CN2C(=O)OCc2ccccc2)n1 1618759333 NRFKIEMTQAKEDU-URXFXBBRSA-N 454.527 1.653 30 10 JDEE COCCN(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1619877420 FYTPUWFHTRXIID-FQEVSTJZSA-N 450.540 1.369 30 10 JDEE C=CC1(CC(=O)N2[C@@H](C(=O)NCCC(=O)OC)CS[C@@H]2C)CN(C(=O)OC(C)(C)C)C1 1638596445 XZTMUEPIZWQHFJ-HUUCEWRRSA-N 455.577 1.769 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOc3ccccc3[C@H]2C(=O)OC)s1 1648217398 SNRJOWLVHNNPJH-IBGZPJMESA-N 450.538 1.890 30 10 JDEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1658649389 FMXLKUWZOBEOHK-OAHLLOKOSA-N 459.569 1.051 30 10 JDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H](Cc3ccccc3Cl)C(N)=O)C2=O)cc1 1672352301 GTGPOOGXFYZPCJ-UYAOXDASSA-N 453.930 1.956 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)CC1 1683448406 VPCHFSWWLDKISG-IXDOHACOSA-N 456.609 1.174 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C(=O)NCC)CCC1 1689836157 ZMVIKIPCEKJRJV-KRWDZBQOSA-N 472.615 1.960 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(OC)c(OC)c(OC)c1 1690076925 DUSWYGLZNYCIJF-IBGZPJMESA-N 493.586 1.145 30 10 JDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690178683 DTKVIDJKMBVTSX-UHFFFAOYSA-N 453.616 1.375 30 10 JDEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690271717 ZOZMHOMXIVPOGD-MRXNPFEDSA-N 466.633 1.954 30 10 JDEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)[C@@H]1CC 1690311365 IZLDVJGJNYZTMU-IBGZPJMESA-N 454.579 1.760 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO1 1690609784 ZRKORLCRVFIPBP-RTBURBONSA-N 465.576 1.618 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1690720938 VKVPDHYPLOVZBJ-UHFFFAOYSA-N 491.577 1.775 30 10 JDEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1692597748 DMYQPGVHBPVMFZ-PMACEKPBSA-N 465.558 1.891 30 10 JDEE CCS(=O)(=O)NCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1696504959 CTIHKRQFHSXFOR-NRFANRHFSA-N 462.576 1.935 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CCSC(F)(F)F)C1 1698312217 CKYOTSQGBDRVJE-ZDUSSCGKSA-N 468.527 1.604 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1705561651 SADRVCZDVJNUOV-IBGZPJMESA-N 454.556 1.557 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1705564706 PJADCVZSXCQERW-ROUUACIJSA-N 473.599 1.885 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2nsnc2c1 1705598498 KSVWLPNEEBSWTO-LJQANCHMSA-N 485.595 1.127 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCOCC1 1705599355 XJOKQLHJUILFLU-UHFFFAOYSA-N 462.602 1.637 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccc(N3CCO[C@H](C)C3)nc2)n1 1705632204 XZGQSBZGLQZYDW-LJQANCHMSA-N 464.574 1.738 30 10 JDEE C=C(C)Cn1c(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1705728400 JGGHLVLFEUXIDU-GHTZIAJQSA-N 469.608 1.137 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705728924 CPHRWUBUGUSDOK-SFHVURJKSA-N 466.608 1.111 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCOC[C@@H]2C1 1705827057 SAADZCJNWJYBIC-FQEVSTJZSA-N 490.630 1.309 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CCCN2CCOCC2)CC1 1705890651 ATOAGYPHJXRLEB-HXUWFJFHSA-N 482.651 1.126 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705895674 OQKMICCHCAJUOZ-UHFFFAOYSA-N 498.556 1.709 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN(c2cnn(C)c2)CC1 1705908142 JLJXZQOAKCXBPV-UHFFFAOYSA-N 482.614 1.941 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(C)(C)O)C[C@@H]2C)CC1 1706001485 SRBWJULNRFASOV-PGRDOPGGSA-N 465.602 1.967 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)NC(C)C)c1 1722308651 COUKEAHVGOEEHN-UHFFFAOYSA-N 469.571 1.657 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1722370660 DGXCYVBWLQLHRY-FQEVSTJZSA-N 479.566 1.446 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCOCCS(C)(=O)=O 1722415828 DXKJYSWRUYTROC-KRWDZBQOSA-N 469.608 1.871 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722663595 BVJFBYKHHWUSDQ-RDJZCZTQSA-N 464.617 1.765 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(C(=O)NC3CCCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1722703635 DRFBZRSWSMCJDM-VWLOTQADSA-N 488.633 1.898 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722723909 IIDYPIYZAFGIQU-IBGZPJMESA-N 499.597 1.277 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1722726503 CCDZFIKLROTZFB-SFHVURJKSA-N 496.597 1.894 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1 1722731083 DAVWZAPUMXZMGK-KRWDZBQOSA-N 496.387 1.949 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC(=O)N1CCOCC1 1740546730 JZBVMVNPWSXICO-GOSISDBHSA-N 477.569 1.943 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC(F)(F)F)nc1 1740610663 IJJLSBQFLRWTEV-HNNXBMFYSA-N 488.492 1.065 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1740690175 OKNRIZRNASEKSB-HXUWFJFHSA-N 466.590 1.037 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2ncn(C)n2)CC1 1740692735 LUPJSVZJUJOLFD-UHFFFAOYSA-N 450.547 1.673 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCCOC)CC1 1740750333 PEKFJPRTCYTANW-SFTDATJTSA-N 488.633 1.864 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1C1CC1 1740932381 MOLKNYFYIWMPKL-WOJBJXKFSA-N 464.636 1.806 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1740963526 NSNDCASHKCTDSB-UHFFFAOYSA-N 480.573 1.871 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(N(C)C)CCCCC2)C1 1740973053 QKXQVXHYPFKIHY-MSOLQXFVSA-N 454.641 1.934 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C)(COC)CC1 1740993646 BEFQPKOCEYRAKS-UHFFFAOYSA-N 450.609 1.993 30 10 JDEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N1CCOCC1 1741311190 HNJJCFRDDUFFSS-RTWAWAEBSA-N 472.615 1.797 30 10 JDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC1 1741517532 GMNPNLTWTRNBOT-QZTJIDSGSA-N 454.597 1.414 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCCN(C)C)cc1 1748670960 FNVSWUWPIOQNRF-NQIIRXRSSA-N 490.630 1.058 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCOCC2)c1 1748691676 JJNLQFOGFPTPOQ-INIZCTEOSA-N 474.587 1.371 30 10 JDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1748713188 PHVZQVLZDAZHFE-OAQYLSRUSA-N 452.607 1.770 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1748807979 FLILPLMCCSFZAX-MJGOQNOKSA-N 492.623 1.402 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1748808500 DJKLYVZBILQOME-MRXNPFEDSA-N 459.963 1.907 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1748808772 NERKFLFRQIBMHA-YLJYHZDGSA-N 478.018 1.946 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1748817805 QOZNISXPPJKIGA-SJORKVTESA-N 464.617 1.592 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1748820956 KBCOXKYSCVYQSS-IBGZPJMESA-N 460.600 1.860 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1749017028 TVBSWDRQFXWVOE-UHFFFAOYSA-N 477.613 1.878 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1749034205 XNYNTNKEZIQGMU-RBUKOAKNSA-N 473.647 1.119 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1749411810 GVBNZPIGMAUMRE-IAGOWNOFSA-N 453.613 1.437 30 10 JDEE C=CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749413447 VLHZQGNQBMQDJV-ZWKOTPCHSA-N 468.558 1.930 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1749672184 RTOIOYNRFKNGRQ-SFHVURJKSA-N 476.578 1.315 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1749705867 LFNLTCCWMTXZGR-QGZVFWFLSA-N 459.551 1.754 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1749721762 SUMFWCLPOIQCDI-SFHVURJKSA-N 478.623 1.142 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1749724594 KKSZWGLDVSBZNQ-AWEZNQCLSA-N 469.365 1.376 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](N1CCOCC1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1760182349 IVZKHHUPSPXBAG-JKSUJKDBSA-N 477.553 1.465 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1760182971 LCDSAUPQLWKGJK-LJQANCHMSA-N 490.607 1.322 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1nc2c(s1)C[C@H](C)CC2)[C@@H]1CCS(=O)(=O)C1 1760183238 PJFVLIJJJJRPME-HZPDHXFCSA-N 490.655 1.673 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC)c(O)c1)[C@H]1CCS(=O)(=O)C1 1760187365 JGNRFVJQMVXURJ-PXNSSMCTSA-N 460.556 1.909 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760188187 NCWAPRSKGYQHOQ-FHWLQOOXSA-N 457.556 1.244 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1760192468 UVBFSVDYJYKDBW-QUCCMNQESA-N 460.531 1.968 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCNS(=O)(=O)CC 1760208080 HYMQSTLUGDNPIW-SFHVURJKSA-N 478.619 1.752 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1760241061 NGAHEMAKHGZHPN-OAQYLSRUSA-N 456.503 1.064 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCNC(=O)c2cc[nH]n2)CC1 1760265926 MAMTTYDDVYEPHH-NRFANRHFSA-N 488.596 1.939 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCOCCN(C)C)CC1 1760268714 OSWNVCZQPIHJBW-UHFFFAOYSA-N 477.613 1.981 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1760280738 IJVMOJGRQAWVHQ-IEBWSBKVSA-N 493.659 1.225 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1760555922 QRRQAIFHBZHDBJ-QZTJIDSGSA-N 461.592 1.278 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1760555956 RBXOGTLRUFJLKB-WIYYLYMNSA-N 478.663 1.525 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(N2CCCC2)CCOCC1 1761492774 GKQSJTVVWMAHSH-WIYYLYMNSA-N 479.651 1.663 30 10 JDEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 1767099566 CPSQDHHBQGENIA-AUSIDOKSSA-N 480.617 1.184 30 10 JDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1769785595 HFXCTDQFRRBACZ-UHFFFAOYSA-N 477.617 1.841 30 10 JDEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)NC[C@H](C)NC(C)=O)cc21 1858807043 JIHWQFYWDZEWKE-HNNXBMFYSA-N 481.509 1.901 30 10 JDEE COc1cc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCNC(C)=O)cc(OC)c1O 1862564606 DKLWBCGOCNZHTH-IBGZPJMESA-N 455.467 1.706 30 10 JDEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc(O)c1 1865722962 DVIASIXOMKUGCN-KRWDZBQOSA-N 456.543 1.961 30 10 JDEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc(O)c1 1865722963 DVIASIXOMKUGCN-QGZVFWFLSA-N 456.543 1.961 30 10 JDEE COCCN(CCOC)c1nc(=Nc2ccccc2C#N)nc(N(CCOC)CCOC)[nH]1 1871731465 SQHWTKRFCFMVOQ-UHFFFAOYSA-N 459.551 1.107 30 10 JDEE COc1cccc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Br)c1OC 1873527437 ZHROXBBDHYKOJK-OZOTYFBYSA-N 471.333 1.829 30 10 JDEE COc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)Nc2nccs2)cc1O 1874433513 OOGMACIYUIDKHH-ODCIPOBUSA-N 461.529 1.698 30 10 JDEE CN1CCN(CC#CCOC2CCN(C(=O)C[C@H]3CSc4nc5c(c(=O)n43)CCC5)CC2)CC1 1889495509 YVTTXAMQXBMRRQ-IBGZPJMESA-N 485.654 1.027 30 10 JDEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 2255606354 RVFKHBJLJJHURM-KRWDZBQOSA-N 469.351 1.597 30 10 JDEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255869619 DXGSIBFFCWTFSS-UHFFFAOYSA-N 451.354 1.252 30 10 JDEE C#CC(CO)(CO)NC(=O)c1cc(I)cc(NC(=O)OC(C)(C)C)c1 2261459669 SELSXMZMXPEXFK-UHFFFAOYSA-N 460.268 1.725 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CO 2267521920 RUXJIRXOVBGYOQ-DZGCQCFKSA-N 450.345 1.057 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267523745 GROSHLLESRXDLT-YCPHGPKFSA-N 468.381 1.118 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)[C@H](O)C1 2268773362 BQIPVDQOFITVSL-ZHRRBRCNSA-N 452.357 1.509 30 10 JDEE CC1(C)OB(c2n[nH]cc2C(=O)N2CC[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)OC1(C)C 2281925551 FZMOCNYDPVFNKB-PMACEKPBSA-N 452.364 1.824 30 10 JDEE Cn1nc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)[C@H]3COC[C@@H]32)cc1B1OC(C)(C)C(C)(C)O1 2281977003 JISIVDXHAFZWSF-KBMXLJTQSA-N 462.356 1.083 30 10 JDEE CC1(C)OB(c2c[nH]nc2C(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)OC1(C)C 2281985145 IICMBXJJVPUKIM-UXHICEINSA-N 452.364 1.824 30 10 JDEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(C(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282146530 AJUZKGXIPDCELT-UHFFFAOYSA-N 463.315 1.330 30 10 JDEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282346393 NSIOPWAGWMCWQT-JSGCOSHPSA-N 477.314 1.601 30 10 JDEE CN1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)OC(C)(C)C)C1 2282577525 GIIPCOVAKUUFKZ-HNNXBMFYSA-N 463.388 1.000 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 2282592446 CVAYZUPSWUFBMF-HUUCEWRRSA-N 464.372 1.128 30 10 JDEE Cn1nc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCCO2)cc1B1OC(C)(C)C(C)(C)O1 2282629364 UWNXSBOJUCGDDB-OAHLLOKOSA-N 464.372 1.475 30 10 JDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282706154 IKAKTIBNBIGIKM-OAHLLOKOSA-N 461.372 1.057 30 10 JDEE CO[C@](C)(CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)COCc1ccccc1 2282831649 BZSZAEJXBNSEMB-OAQYLSRUSA-N 480.396 1.015 30 10 JDEE Cc1c(C=C2SC(=S)N(Cc3ccco3)C2=O)c(N2CCN(CCO)CC2)n(C)c(=O)c1C#N 2314435849 VLPODAZAFDXALY-UHFFFAOYSA-N 499.618 1.674 30 10 JDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n[nH]1 59887847 MEQCPHMLLKAVLO-DJKKODMXSA-N 459.492 1.695 30 10 JDEE C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COS(C)(=O)=O 138238324 JIVIIFWTEUUGLE-SBTDHBFYSA-N 458.548 1.858 30 10 JDEE in-vitro C=CCN(C(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)c1nc(C(=O)OCC)cs1 501948795 FEWSQXSLVHWRAN-UHFFFAOYSA-N 481.600 1.982 30 10 JDEE COc1ccc(/C=C/C(=O)[C@@H]2C[C@@H](NC(=O)CNC(=O)c3ccccc3)CCN2)cc1OC 585827499 BMGVWEZBLYNSBI-ILUDYIOVSA-N 451.523 1.953 30 10 JDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 609042934 JBUZFVJXYDRNGW-UHFFFAOYSA-N 483.598 1.362 30 10 JDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1c(C)cccc1C 729671363 HSWMDAQKGQDSQW-SFHVURJKSA-N 487.585 1.818 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)Nc1c(C(=O)OCC)nc2c(Br)cccn12 1220063676 YVXZUNGVEBLXAF-UHFFFAOYSA-N 459.322 1.996 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1286325049 VKSGBZVLHDZDHM-SFHVURJKSA-N 462.620 1.710 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1COc2ccccc21)[C@H]1CCS(=O)(=O)C1 1286379950 FGTBUSKLBXLJCS-MJGOQNOKSA-N 485.610 1.999 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286382950 UIUNFDGRJDUNLS-QGZVFWFLSA-N 480.635 1.128 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CCC)CCC1)[C@H]1CCS(=O)(=O)C1 1286394025 MWQVSANMXPDNBA-MSOLQXFVSA-N 468.645 1.777 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286397256 YMAVMZJZMOOIIW-MHTWAQMVSA-N 479.647 1.646 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCS(=O)(=O)CC1 1286463489 PLBTXUGHEUWWMZ-UHFFFAOYSA-N 453.952 1.019 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CCOCC)CCC2)CC1 1286493307 NICMBJIDTGPTOO-HXUWFJFHSA-N 491.658 1.743 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1286540778 DLVHXYLZYDGEAU-UONOGXRCSA-N 455.382 1.816 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286547093 MWXCNKDHAXCOPZ-HKUYNNGSSA-N 482.651 1.648 30 10 JDEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286711937 RKFYMJTZCWPQEN-QZTJIDSGSA-N 499.634 1.803 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286770496 NHHYWGIYLWPXIM-GOSISDBHSA-N 467.617 1.785 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](OCCOC)C1 1286785078 ANBZJZGMNBNVBV-MRXNPFEDSA-N 467.530 1.528 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(O)cc2)CC1 1286818070 BKUOULFNJPOVSS-UHFFFAOYSA-N 455.544 1.368 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H](C)N1CCOCC1 1288161304 FIDSVYLQMDDGMF-FQEVSTJZSA-N 480.617 1.331 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccn(CC)c1=O 1300299031 KYCCJCGBORHXEC-INIZCTEOSA-N 453.572 1.926 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1300410254 MIJXMIJDFJNJFX-HBMCJLEFSA-N 490.674 1.220 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300492264 MHEARCMZJTVWRV-FGSXEWAUSA-N 463.604 1.187 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1300502370 SBFCNAHXGRMSLN-LEWJYISDSA-N 461.632 1.896 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1cc[nH]n1 1300547202 IJXXDBBZPUTEKC-SFHVURJKSA-N 466.546 1.576 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCSCC2)cc1 1300672359 ZONBWQSQAXPAMQ-FQEVSTJZSA-N 489.667 1.868 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC(=O)NCC(F)(F)F)CC1 1300730636 DJMYIVOHMOCXFP-UHFFFAOYSA-N 492.502 1.810 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1300877731 ZDSWHWRISMSMHV-WDSOQIARSA-N 487.605 1.650 30 10 JDEE COCc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1301173134 DJLWMIWBVKOOHY-NFBKMPQASA-N 488.614 1.936 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](NC(C)=O)C1 1301482810 CKWJMDSZTYIGPX-HNNXBMFYSA-N 464.368 1.453 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](COC)C1 1301514729 MJCLVKWEGREUMC-KRWDZBQOSA-N 480.363 1.773 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCCN(c2nccs2)CC1 1301586290 JWYSWVKZQSMLRH-UHFFFAOYSA-N 479.632 1.175 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1301613412 XTYWCBXXBFSKNJ-IRXDYDNUSA-N 491.705 1.207 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2COC3(C2)CN(C(=O)OC(C)(C)C)C3)c1 1309674405 PYUPTKIGJFSKBO-INIZCTEOSA-N 451.545 1.659 30 10 JDEE C#CCOCCNC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(C)CC1 1309995533 SZGPTVFPFGZEEB-UHFFFAOYSA-N 451.593 1.240 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(OC)CCOC1 1358895279 GNZQLZJDYAYFQV-SQJMNOBHSA-N 452.603 1.906 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CCN2CCN(C(C)=O)CC2)c1 1358901276 FTAPKLKYZZKBCJ-UHFFFAOYSA-N 451.575 1.622 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N1CCN(CC)CC1 1358971823 JWIDSWUBMUIZMY-NRFANRHFSA-N 497.669 1.294 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)cc1)N(C)C 1358984673 DAWBAAKYGOMENI-CTNGQTDRSA-N 456.616 1.963 30 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C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Nc2cccnn2)CC1 1359216187 QRNFOYSBXXMLAC-SFHVURJKSA-N 476.607 1.448 30 10 JDEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1CCN1CCN(C(C)=O)CC1 1359276600 JOYOWORPYAXBKR-UHFFFAOYSA-N 450.547 1.727 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1359291202 HXXWBZIILCMMJT-UHFFFAOYSA-N 481.601 1.851 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1359298315 VHBBKXCSSWVLPW-UHFFFAOYSA-N 463.546 1.466 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(N(C)C(=O)OCC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359305850 OXHHLUSKTYYXSV-HSZRJFAPSA-N 478.594 1.678 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1359309540 VLPNKLGOELHKOR-HXUWFJFHSA-N 496.612 1.912 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3cc(Br)cn3C)nnc2N(C)[C@H](C)CC#N)CC1 1359400459 LYMRKVBURMFMKO-OAHLLOKOSA-N 477.411 1.949 30 10 JDEE C#CCN(C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 1465597116 IEVJDKLEOCGRID-OAQYLSRUSA-N 454.552 1.833 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4ccccc4S(N)(=O)=O)CC3)cc2C1=O 1470593327 JMVIPTBNJFPVCE-UHFFFAOYSA-N 454.508 1.078 30 10 JDEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 1502359861 FWUSCCPASJINHN-HZPDHXFCSA-N 469.571 1.848 30 10 JDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)C[C@@H](C)O1 1504711680 GOVRVXRGOMKRJJ-COPCDDAFSA-N 454.575 1.904 30 10 JDEE N#CC1CCN(c2nnc(Cc3ccncc3)n2CCNS(=O)(=O)c2ccccc2)CC1 1505321030 DEHXRSBBVMQAHJ-UHFFFAOYSA-N 451.556 1.982 30 10 JDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1507553988 KDLOYZFOVKDZFX-QFIPXVFZSA-N 494.644 1.960 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1507625150 HGPZGDASPQTMGD-UEXGIBASSA-N 454.593 1.228 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(COC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1507630924 ACUCUUXQQUCJOT-OALUTQOASA-N 498.671 1.404 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)CC=C 1507669843 SVKXHLMKHWFJKS-UHFFFAOYSA-N 467.599 1.516 30 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JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1508152203 JPOFABNAISBISD-SIFCLUCFSA-N 486.664 1.911 30 10 JDEE CCS(=O)(=O)NCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@@H](C)C#N 1516850012 FHPBREIGLIDVRD-INIZCTEOSA-N 483.639 1.928 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1539072470 RSCIXVQFIJYWJB-SJORKVTESA-N 492.568 1.487 30 10 JDEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539132170 FYOCGBRIDHGSNY-UHFFFAOYSA-N 464.570 1.584 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539231257 QFGTZYSWKCTEFP-RBUKOAKNSA-N 463.604 1.547 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(OC)c(F)c2)CC1 1539446272 ATQCHPBEPMLUSE-GOSISDBHSA-N 461.563 1.326 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(=O)NC)C1 1539631059 ICVFNZYIIOFMMU-VWXURSGXSA-N 451.593 1.124 30 10 JDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1540858065 GAIBHRKOOXJGLO-QGZVFWFLSA-N 465.601 1.267 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 1540858208 MHZDLNWMCMTJMC-SJORKVTESA-N 450.540 1.114 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@](C)(CC)C1 1540870014 CLUCNMXHCHFLPG-HSZRJFAPSA-N 454.579 1.760 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1540873585 CYTWVLLEJZYRPY-DLBZAZTESA-N 475.594 1.442 30 10 JDEE C=CCNC(=O)Cn1c(N2CCCN(CCC)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540875900 AZTMRJOROHMEKR-HDICACEKSA-N 489.621 1.800 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1540902314 GRHFRJRKQAZCCI-INIZCTEOSA-N 473.555 1.115 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@@H](COC)C1 1540906944 HHAJCDPSVHOUPE-LJQANCHMSA-N 450.609 1.993 30 10 JDEE CN(C)C(=O)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 1552689966 CINYNQVJSOENGH-FQEVSTJZSA-N 499.641 1.637 30 10 JDEE C#CCN(CC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1)C(=O)OC(C)(C)C 1558693913 DWBXQSFOYMWPRJ-OAHLLOKOSA-N 450.536 1.193 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC[C@@H]1NC(=O)NC1=O 1587640976 WGAJRHKYFNZONO-HRCADAONSA-N 475.550 1.033 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO1 1589547783 WDSPBPSANMXGTC-MANSERQUSA-N 469.608 1.207 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCCCC2)CC1 1595465984 BZVMKJZMUCOODP-UHFFFAOYSA-N 452.563 1.682 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1595530228 XKUYOGICGNVYRH-GOSISDBHSA-N 464.574 1.873 30 10 JDEE CC(C)N(C)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1611706551 AJTGNUPCNQPZLE-GOSISDBHSA-N 489.650 1.212 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)OC)c2ccc(OC)c(O)c2)ccc1F 1625552984 KHCVHLWAFCLOGT-GOSISDBHSA-N 452.460 1.648 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](F)CN(Cc2ccccc2)Cc2ccccc2)CC1 1634876032 AJNSGVCMNDLIGJ-DEOSSOPVSA-N 450.558 1.921 30 10 JDEE C#CC[C@H]1CCCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)C1 1643532455 JZKPXWNHNROJFW-HOCLYGCPSA-N 459.490 1.880 30 10 JDEE C#CCOc1ccc(CNC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1 1682742518 LGECSJYNVJFTRT-MOPGFXCFSA-N 463.556 1.627 30 10 JDEE C#CCCCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1689885535 LULDZDGJLFOTFB-UGKGYDQZSA-N 450.591 1.918 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CN(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 1689987843 DBVCZKJCFXCZIO-FCHUYYIVSA-N 498.653 1.746 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCCS1(=O)=O 1690003345 LAKFONGASCIIGC-GOSISDBHSA-N 488.639 1.587 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCn2ccnc2C1 1690096193 NXZICIKTMLNEBB-IBGZPJMESA-N 497.625 1.741 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCS(=O)(=O)C2)n1 1690109086 GHYWQWMBLZKVNF-QUCCMNQESA-N 476.603 1.437 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCOC[C@H]2C)CC1 1690137379 WVEXWAQCIRJQTP-MJGOQNOKSA-N 465.558 1.564 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2CCCO[C@H](C)C2)CC1 1690397087 VETXJMOVHKFJLK-MSOLQXFVSA-N 454.641 1.792 30 10 JDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1690643591 JHLOJRYEJDWTBN-HNNXBMFYSA-N 469.564 1.016 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1690670806 JNTWFCBUVYIEND-KRWDZBQOSA-N 458.538 1.949 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1690714722 SKZSLEGMWVWQLK-KGLIPLIRSA-N 465.498 1.271 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](C)C1 1690723061 GHFULFNUPRNNET-IYBDPMFKSA-N 472.571 1.406 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1cccc(C)c1 1690723744 AAEPHOVPHBHADH-GOSISDBHSA-N 483.616 1.288 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1690729551 PTMZAPGNLHWEHL-IXDOHACOSA-N 479.628 1.732 30 10 JDEE CCN(CC)C(=O)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1695583468 DRSMFVOIPHNMRF-GOSISDBHSA-N 474.587 1.726 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(NC(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1705565144 GQZOMDRIATZHSB-MJGOQNOKSA-N 472.571 1.338 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)c1ccc(OC)cc1 1705582807 KAXCPQLIXQMWSM-SIKLNZKXSA-N 485.610 1.886 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCN1S(C)(=O)=O 1705594239 VWZDCQFZNKGWDP-LJQANCHMSA-N 469.567 1.603 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(O)CCS(=O)(=O)CC1 1705594340 ZUBHPAILVKVIQH-UHFFFAOYSA-N 470.551 1.119 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CCC2(O)CCOCC2)CC1 1705642879 KGFKOGSIJVACHZ-UHFFFAOYSA-N 469.586 1.943 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1705720977 JWBKPCRULUORMC-MRXNPFEDSA-N 464.567 1.956 30 10 JDEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1705723130 BCQJMGDSTVFBKI-UHFFFAOYSA-N 490.341 1.758 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CCCN2CCOCC2)CC1 1705890650 ATOAGYPHJXRLEB-FQEVSTJZSA-N 482.651 1.126 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2C)C1 1705904036 CJATZCFCXGWPDQ-UYAOXDASSA-N 488.614 1.216 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C2CCOCC2)CC1 1705905148 LNXFTYSCPLLKMP-UHFFFAOYSA-N 454.575 1.481 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1705906817 PWQWZQYLNJZOAX-JOCHJYFZSA-N 456.503 1.199 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCS(=O)CC1 1705931143 HJCIDYOUALVPSI-UHFFFAOYSA-N 462.395 1.205 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCc1nc2ccccc2[nH]1 1706870687 GZASQEMKLDQUIK-XOBRGWDASA-N 460.539 1.839 30 10 JDEE Cc1ccc(O[C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1707527796 ABBRHDMYNDXSDU-RLLQIKCJSA-N 490.586 1.116 30 10 JDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1709942792 FMZMALJSMYPUJV-XLIONFOSSA-N 458.588 1.551 30 10 JDEE COCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1712121743 BQDMZJRXGONPAO-GOSISDBHSA-N 473.603 1.446 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1722359886 WXPGPXREENPLPE-NEWSRXKRSA-N 465.620 1.374 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722367319 MOSWJXZVFZLPEX-IAGOWNOFSA-N 472.633 1.012 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccnc(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1722370473 NUJNBFBBWZDBDU-HNNXBMFYSA-N 455.487 1.486 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)N1CCOCC1 1722384060 MJWOXIRVJPRHFA-HXUWFJFHSA-N 486.617 1.770 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1722397331 JCGGOAQTHYKIQP-SFHVURJKSA-N 473.537 1.552 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722695974 WQPWXILXIUBORM-CZUORRHYSA-N 463.922 1.270 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1722727219 JLVRQGUQTDZSTC-MRXNPFEDSA-N 456.572 1.705 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1722729182 XTRKGUNJKWDEQR-MRXNPFEDSA-N 468.649 1.386 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccccc1 1722866910 DGFHPLSFMLRVOD-PLMTUMEDSA-N 462.576 1.115 30 10 JDEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740566346 SPVGBZOOBTUNJF-UHFFFAOYSA-N 450.543 1.684 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCCC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740616409 AMJARRIVZQDBHI-FUHWJXTLSA-N 471.649 1.485 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CCCCC1)N(C)C 1740657713 WMEVRVRJCIDIMR-FGZHOGPDSA-N 490.674 1.584 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1740717388 REMSEXWKPVCSFO-IAGOWNOFSA-N 462.597 1.823 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1740735943 BROVRLMKDBXQOW-QGZVFWFLSA-N 468.444 1.930 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCCOC2)C1 1740791944 CFZFIEMYYPGPAW-WIYYLYMNSA-N 469.608 1.211 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1740840481 ZVSHCUOVBRWRTI-LJQANCHMSA-N 493.655 1.881 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740995716 VPMDSHYDQFGUAX-YWTNHNAXSA-N 484.619 1.158 30 10 JDEE Cc1ccccc1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1742434561 CENKVHIMDQBYEU-HXUWFJFHSA-N 458.588 1.902 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1748804561 ITNIZSXQZQWUCT-IXFSTUDKSA-N 492.573 1.989 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1748810426 WCHOCPJGTYGYAX-HNNXBMFYSA-N 450.948 1.759 30 10 JDEE C#CCN(c1nnc(C2CC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748814295 CUDKWGLQOUDRMA-DLBZAZTESA-N 475.537 1.435 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1748818603 CNSGGMMUEQFCIX-PBYQXAPXSA-N 464.588 1.546 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc3c2OCO3)CC1 1749001076 HGFILWOCGRDGMN-UHFFFAOYSA-N 480.569 1.939 30 10 JDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1749037287 DAYVMIXXQWEYLR-GOSISDBHSA-N 493.659 1.091 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccn1 1749037363 BROQSEDEIWYOOH-QGZVFWFLSA-N 450.590 1.009 30 10 JDEE C=CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749433473 LDHJJEPLRIKPNW-UHFFFAOYSA-N 466.586 1.965 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1749726755 CVQUIMXNVPUFFK-UHFFFAOYSA-N 474.008 1.281 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1749738659 UCMGBVJNCUDNCJ-QGZVFWFLSA-N 461.544 1.407 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1749756541 ZESFMAKKRJMAIB-KSZLIROESA-N 471.649 1.536 30 10 JDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1760129564 RJSFCFMKYXTARP-UHFFFAOYSA-N 498.569 1.369 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCC(O)CC1 1760206249 URONENZETRBNTA-QFIPXVFZSA-N 481.622 1.258 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1760222830 AAYJSRLKAQQQSG-UHFFFAOYSA-N 470.595 1.877 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(C)COCCO2)CC1 1760270336 PEAFYVSRYGKODZ-DEOSSOPVSA-N 473.524 1.918 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1760272520 NCNNZGOWYPUMKR-KRWDZBQOSA-N 453.572 1.883 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1760366647 FWNHXFNHHPXMIE-HNNXBMFYSA-N 452.968 1.802 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1760374004 GTGLGSARIWBWCK-RTBURBONSA-N 492.989 1.813 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760428398 VIOURZLPLSPLRQ-HXUWFJFHSA-N 478.663 1.671 30 10 JDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1760447634 ONUNDTJFHJXARJ-QFIPXVFZSA-N 451.535 1.476 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1CC(=O)N1CCOCC1 1760499337 VCEGZUMJGAIFSL-UHFFFAOYSA-N 452.559 1.494 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1760524990 PXSPRUJSOMWRCD-QGZVFWFLSA-N 475.532 1.687 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1760525877 VFAAGGYZMFFNPA-KRWDZBQOSA-N 452.588 1.906 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(O)CCOCC2)C1 1760544097 VRZIAFWYXSFEST-RBUKOAKNSA-N 493.605 1.909 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1760556819 QZJLEHGNNJONES-UHFFFAOYSA-N 486.598 1.246 30 10 JDEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)NCC)CC1 1760566119 LVJSOSFWOGASOF-FQEVSTJZSA-N 472.615 1.968 30 10 JDEE CCCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1765743367 FAJFHZDEAHUOBQ-LJQANCHMSA-N 468.610 1.201 30 10 JDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1766370016 CHBYEUIGPOZKQV-UHFFFAOYSA-N 458.526 1.652 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1767171575 HHXKRYFXYXENTK-UHFFFAOYSA-N 492.628 1.723 30 10 JDEE CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC=CO1 1768588322 HEASBVZYBNFCEP-FQEVSTJZSA-N 452.515 1.716 30 10 JDEE CS(=O)(=O)c1ccc(OCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cc1 1771342887 DUWLDPYKPFHWLZ-KRWDZBQOSA-N 493.611 1.403 30 10 JDEE N#Cc1cccc(C(=O)N[C@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)c1 1858301826 YHIVIBGIECQWTC-FQEVSTJZSA-N 468.535 1.224 30 10 JDEE C=CCN(CC=C)c1nc(NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n(C)n1 1870009920 NKDCHIBGPFWPSE-UHFFFAOYSA-N 453.459 1.917 30 10 JDEE C=CCn1cc(OCC(=O)Nc2ccccn2)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870499300 JFMQGTATSHYJEO-UHFFFAOYSA-N 455.515 1.721 30 10 JDEE C=CCn1c(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc2c(N(CCO)CCO)ncnc21 1873595333 YLZUIMJTGUWNRT-HSZRJFAPSA-N 478.597 1.975 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)[C@@H](O)C1 1890523933 DVVWGVHKPOEAEP-KSFYIVLOSA-N 452.357 1.509 30 10 JDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)C1 1892068621 LXMNBHKVRIWMSC-CQSZACIVSA-N 480.344 1.459 30 10 JDEE CC1(C)OB(c2ccccc2CN2C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)OC1(C)C 2162866723 AWGRYLOVZRJGOR-CABCVRRESA-N 455.286 1.340 30 10 JDEE C=C(CS(=O)(=O)N=c1nc(CNC(=O)OC(C)(C)C)[nH]s1)B1OC(C)(C)C(C)(C)O1 2247902987 YZTYQPOLVAWABG-UHFFFAOYSA-N 460.387 1.914 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(NC(=O)OCc2ccccc2)C1 2247918563 LETOFNYQFHTEFS-UHFFFAOYSA-N 454.336 1.953 30 10 JDEE C=C(CN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1)B1OC(C)(C)C(C)(C)O1 2256664255 AIHQTUPFOFPJGS-HNNXBMFYSA-N 458.386 1.570 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258961506 UKNPSFMERVICFE-OAHLLOKOSA-N 458.386 1.456 30 10 JDEE CC[C@](C)(CNC(=O)OC(C)(C)C)N(C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267115668 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JDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)[C@@H]1CCS(=O)(=O)C1 918755188 VZGKYWYWNUCSKC-HXUWFJFHSA-N 464.609 1.225 30 10 JDEE Cn1cc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1C(=O)NCC(F)(F)F 1193791867 ANQQXNCLMBEIML-UHFFFAOYSA-N 455.462 1.700 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccccc2OC)CC1 1286343573 WLNRMAJRRBCZFD-GOSISDBHSA-N 460.604 1.633 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286390587 BQNLVLZGPMDRDZ-ONTIZHBOSA-N 486.642 1.390 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCO[C@@H]1CCCC[C@H]1C 1286410183 SNLZWFRISUZKHP-AQNXPRMDSA-N 463.604 1.279 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H](C)N2CCOCC2)CC1 1286474495 KSBUCALVLIEQPP-HXUWFJFHSA-N 468.602 1.828 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2csc(CC)n2)CC1 1286485690 UWPYRGYFZSDYAS-UHFFFAOYSA-N 455.588 1.547 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCC(=O)NCc2ccccc2)CC1 1286495033 XGKDAUHOZRZHLA-NRFANRHFSA-N 464.570 1.454 30 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CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1297970283 DZRROYNFSXIPHX-UHFFFAOYSA-N 463.521 1.941 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCc2ccccc2C1 1300309846 JDZBVRDPXHDAEI-UGKGYDQZSA-N 486.642 1.517 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2COCCO2)c1 1300332142 YGGXRVZZBCDOGK-HYBUGGRVSA-N 469.542 1.402 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1300464356 BUZDRWCNTWVWOY-WFXMLNOXSA-N 452.625 1.191 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(F)cc1 1300466284 VOOCFFLZUUPAMR-CRAIPNDOSA-N 451.524 1.287 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300483724 NENSAABRKJKMIR-ICSRJNTNSA-N 473.599 1.301 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1300557491 UUVXJTYNSRGLBU-SFHVURJKSA-N 474.558 1.960 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1300710609 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C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN2CCCO[C@@H](C)C2)CC1 1359040135 JPIKOGKPSGOMPV-FKBYEOEOSA-N 460.623 1.258 30 10 JDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1359240630 UCKPAICGWWJARS-FQEVSTJZSA-N 459.616 1.807 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1359291626 XVZANGNCJSWXDG-KRWDZBQOSA-N 464.534 1.277 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359304573 BMAXZMZKOCVEBR-OAHLLOKOSA-N 451.524 1.312 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](COC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359306051 UPBJGZKAXGQNHW-IXDOHACOSA-N 464.567 1.203 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1359326906 MMRKLECJBWIQLZ-GOSISDBHSA-N 452.625 1.137 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCCC1=O 1359473326 ACIMMWOTDOBHLG-XLIONFOSSA-N 470.599 1.947 30 10 JDEE CC(C)CN1CCO[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)C1 1360034583 GANQJRJZOYLSPV-FQEVSTJZSA-N 460.604 1.654 30 10 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C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1301567915 MTXQSPXOCVTZOP-INIZCTEOSA-N 482.607 1.218 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1301578597 FSQHAZRUYIDZIL-MRXNPFEDSA-N 492.627 1.545 30 10 JDEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1301841078 AGJCVYNWWAIXNH-OAHLLOKOSA-N 452.437 1.880 30 10 JDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)CC1 1315753952 FGGGOLXZEKPAIO-UHFFFAOYSA-N 486.598 1.373 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1316101136 CYPKUVLOFPYATA-HZPDHXFCSA-N 478.541 1.431 30 10 JDEE COCCN1C[C@H](Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(C)[C@@H](C)CC#N)CC1=O 1316114566 FBTBJPPYLJNIHN-DLBZAZTESA-N 454.531 1.950 30 10 JDEE C#CCO[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1 1347693112 GITDTSHKSLRAOQ-DLBZAZTESA-N 451.545 1.275 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358963568 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1508085565 VLSBIVHAGHGAIN-GOSISDBHSA-N 459.620 1.485 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1508092577 RJTOVMSVTVVCJF-IAGOWNOFSA-N 479.628 1.730 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1508094989 KHXQCXHHEGLISQ-GLDPYIMESA-N 455.559 1.975 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)nc2OC)C1 1508125593 PNGAHTUBDXFZIF-DLBZAZTESA-N 463.560 1.422 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(O)cc2)CC1 1508131812 QJSBIXLQEXISIZ-MRXNPFEDSA-N 495.627 1.488 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN(CC)S(C)(=O)=O 1538991903 GTEXPYOFPXTMRE-MRXNPFEDSA-N 457.564 1.050 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1COCC 1539012808 GNHHPGDTJVSTHE-FXAWDEMLSA-N 461.588 1.654 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1539212011 MFKPBFVUQVAOQJ-HRAATJIYSA-N 480.974 1.385 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CC1(S(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1539212878 YJQIZHRYHUIBBH-QGZVFWFLSA-N 462.597 1.457 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539219385 JLNAZYIYOGBPEK-SFHVURJKSA-N 464.613 1.577 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1539222074 SQHHXMMAMQYDLH-JKSUJKDBSA-N 497.668 1.069 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1539226046 TWAYGRIUAUPJBV-OFJJUDJNSA-N 467.642 1.172 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(S(C)(=O)=O)CC1 1539917539 WCVFHXDIUCSRJI-QGZVFWFLSA-N 489.664 1.227 30 10 JDEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(OCC(N)=O)CC1 1540004625 CASPKAKBJVDQAW-UHFFFAOYSA-N 454.579 1.889 30 10 JDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1540013381 PBWMWGBSLSICCV-UHFFFAOYSA-N 471.587 1.163 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCCS1(=O)=O 1540141592 BEAVUXYYJTUEHA-INIZCTEOSA-N 450.590 1.519 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1540862308 YHAVDCZKRBVDJU-UHFFFAOYSA-N 480.617 1.075 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCO)Cc1ccc(Br)s1 1540869839 YMOXGJIMVJAEFX-ZDUSSCGKSA-N 483.392 1.354 30 10 JDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540873971 QAMCUISAARFFMU-KRWDZBQOSA-N 471.587 1.053 30 10 JDEE COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCO[C@@H](C)C2)CC1=O 1555573541 BYDWUEURRBIWQU-ICSRJNTNSA-N 468.558 1.839 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@]2(COC)OCCc3ccccc32)s1 1569918006 VWMCMEHYIITVMR-NRFANRHFSA-N 450.582 1.986 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1587620501 GJRHGMOLTHGGIW-IAGOWNOFSA-N 483.598 1.414 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCOCCS(C)(=O)=O 1587631518 CVQKNXMYSZEDSN-KRWDZBQOSA-N 483.635 1.912 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC=C)cc1 1587639994 OBOWHVIICJISBN-XLIONFOSSA-N 459.572 1.682 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CCSC2)c1 1587683471 KDKFIIUSISGFFH-JOCHJYFZSA-N 456.572 1.341 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1588034938 NPTVMCFFXMWBOT-IBGZPJMESA-N 495.609 1.830 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCSC1 1588099164 INVVRLFVRWFMJQ-OAQYLSRUSA-N 459.597 1.136 30 10 JDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(S(C)(=O)=O)CC1 1588276010 FCRJEVMTGHNUIF-UHFFFAOYSA-N 464.617 1.583 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC1(O)CCOCC1 1588628590 LNKZEQRSARFZDO-UHFFFAOYSA-N 480.569 1.693 30 10 JDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(=O)NC)c1 1588629152 ZHGBQTSABWXMKC-UHFFFAOYSA-N 450.499 1.500 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(=O)N[C@H](C)CC)c2)CC1 1588811313 GGAAKEZTUKJFHZ-DENIHFKCSA-N 498.653 1.512 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2c(C)nn(C)c2C)CC1 1588891386 OYNVJTXAMPPGBS-GOSISDBHSA-N 457.579 1.367 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(O)CC(OCC)C2)CC1 1588899495 QALRLHHKGNULFJ-UHFFFAOYSA-N 482.541 1.749 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2cnnn2C)CC1 1588961695 JERVYLRYRIRXRF-UHFFFAOYSA-N 464.530 1.008 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)C(=O)C1 1589008554 WSZLFBAZJRWNMO-UHFFFAOYSA-N 459.597 1.526 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1589070449 TUSYKWLKMMLLLK-QZTJIDSGSA-N 480.660 1.129 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1C[C@]1(O)CCS(=O)(=O)C1 1589251996 WGSNCCGOQMSQSU-DHIUTWEWSA-N 474.583 1.798 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1589295374 FJAMJPPQEDWGLM-SZOQZIPDSA-N 478.413 1.570 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1589404934 OBKMLPFZXSJCST-QAPCUYQASA-N 474.425 1.390 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1589548423 ZQHPSCGSWLBLDR-ZCNNSNEGSA-N 478.619 1.722 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(C)c1 1595303494 UHARXBJOJHPLSS-QGZVFWFLSA-N 455.606 1.668 30 10 JDEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1595335524 UBZIOMMRXTZNEF-UHFFFAOYSA-N 472.531 1.592 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1595602687 ORHOLCJBJDXNCD-QMHKHESXSA-N 473.578 1.369 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2ccsc2)C1 1595723035 QEQISNOIMOZNJA-VPWXQRGCSA-N 452.602 1.931 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCN(C(C)C)C(C)C)CC2)c1C#N 1612469742 FAYGPSARAALRAH-FQEVSTJZSA-N 482.637 1.588 30 10 JDEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1CCOCC1 1618302284 FVIZHFROBBPEHA-UHFFFAOYSA-N 453.591 1.696 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)CC1 1636480567 RXOYUSYCVVXMGI-INIZCTEOSA-N 450.561 1.498 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(CC)C(=O)[C@@H]3CC)nnc12 1654505998 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JKMUHEZVQSWNAH-DNVCBOLYSA-N 451.531 1.932 30 10 JDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1690272815 SLIOEDOWPJIOGP-IAGOWNOFSA-N 476.578 1.840 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)c2c(C)noc2C)C1 1690699472 FSUACFXOFIKSHC-KFKAGJAMSA-N 494.618 1.801 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1690699608 HCBOGQPSMSVFST-CEXWTWQISA-N 451.593 1.220 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C(=O)N(C)C)CCCC2)C1 1690700110 NRBOOUNDYZOTML-MSOLQXFVSA-N 465.620 1.610 30 10 JDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1690744699 SFMPRDNTUIOUAJ-GOSISDBHSA-N 457.604 1.912 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccccc1 1692662044 GMSWXMRXDHTWRT-BLIXFSHQSA-N 462.576 1.257 30 10 JDEE CS[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1698331035 BZFPLVFZYDSEJH-HUUCEWRRSA-N 464.621 1.233 30 10 JDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1705538506 RBCWSXFRVPWMFL-SFTDATJTSA-N 469.634 1.631 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cnn(CCOC)c1)[C@H]1CCS(=O)(=O)C1 1705560161 DWXFVFHVSHOAOF-NRFANRHFSA-N 479.566 1.335 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OCCN(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1705564831 QOEFSNHDUGLSJL-OAQYLSRUSA-N 494.621 1.956 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1705565750 VXAQRQSYQFEFRB-LAUBAEHRSA-N 459.597 1.880 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1705567785 ZMIUTRKKTMTLIX-RBUKOAKNSA-N 463.604 1.201 30 10 JDEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705569421 HBIPPSPVVIMMEA-IEBWSBKVSA-N 454.600 1.927 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)c2cccc(OC)c2)CC1 1705648198 ROPIPTSSIWWXHA-UHFFFAOYSA-N 490.568 1.083 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1705736912 GGOBTDPHSIQSTN-SFHVURJKSA-N 486.660 1.711 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705792137 NPGBBJIFAHOEAZ-IAGOWNOFSA-N 489.664 1.227 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1705895702 PNEJWNBLMAZZCY-RYUDHWBXSA-N 473.397 1.596 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705900700 MMQQCQJPNOMJPU-KRWDZBQOSA-N 464.530 1.710 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC(=O)N(C)C[C@@H]2C)cc1 1705911721 OKDUQDNMVMQCOL-WMZOPIPTSA-N 459.572 1.460 30 10 JDEE COC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 1711467092 BQKLDEQHVUSBOZ-DEOSSOPVSA-N 481.557 1.909 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1722361620 IDHUOIIVEYZOPC-MRXNPFEDSA-N 461.975 1.751 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1722365042 BSVDUGCBCKUFQW-WIRSXHRWSA-N 484.644 1.155 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1CCS(=O)(=O)CC1CC1)[C@@H]1CCS(=O)(=O)C1 1722370638 DBXZEZVRIWBPMU-LJQANCHMSA-N 468.645 1.462 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cc(C)nn2C)CC1 1722436735 DJYMOIRKVKSCTC-FQEVSTJZSA-N 484.605 1.432 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCNC(=O)c2ccco2)CC1 1722443937 QQYGPWHDOAJSIE-UHFFFAOYSA-N 476.537 1.943 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1722452582 HPPMDRMJFSGLNQ-UHFFFAOYSA-N 458.563 1.884 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(=O)OCC)CC1 1722452608 VFEXHIPSIZIZMA-OAHLLOKOSA-N 472.637 1.312 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)CN(C)C)CC1 1722452620 IFZODTBCWGHNAZ-PMACEKPBSA-N 460.623 1.556 30 10 JDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722456834 GXBPLNQEGPIYPH-UHFFFAOYSA-N 477.612 1.900 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1722560339 WUWPRUWPXABDCX-MRXNPFEDSA-N 464.567 1.922 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1722617615 LLTJMMWRIGCKJL-KNQAVFIVSA-N 479.578 1.814 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@H](Oc3ccccn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722703577 BYAOYAXTJJRWCA-FDDCHVKYSA-N 456.547 1.674 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1722731418 KDBKPUPIAQKGSQ-QFIPXVFZSA-N 491.570 1.497 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)[C@H](C)C1 1722794670 UEECMPJSXJGTDQ-UZUQRXQVSA-N 454.531 1.591 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1727195753 DIHIWPTZTOEOQF-QGZVFWFLSA-N 465.624 1.608 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccco2)N(C)C)CC1 1728664443 HBPFMJBRSFOJTJ-NRFANRHFSA-N 476.585 1.971 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccc(F)cc1 1740549721 GRNPUOVVSFRZFE-SNRMKQJTSA-N 465.551 1.596 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cn2cccn2)cc1 1740550251 IHWXUDVOHCSYIF-GHTZIAJQSA-N 483.598 1.362 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC1CC1 1740637922 IXLNRTGOIQTRAO-IBGZPJMESA-N 454.575 1.992 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNC(=O)C1CCC1 1740639535 WISRTSAZKVUIPU-UHFFFAOYSA-N 457.538 1.571 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCOCCS(C)(=O)=O)CC1 1740704175 JIXLOFZZVULAGE-UHFFFAOYSA-N 498.609 1.453 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCCS(C)(=O)=O)CC1 1740704672 VZVNOAWRWCOELE-UHFFFAOYSA-N 480.594 1.894 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)CC(C)C 1740744590 CFRLFBGUVYPUNO-HNNXBMFYSA-N 480.429 1.628 30 10 JDEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740807014 MDCUVTCGXPBTSV-UHFFFAOYSA-N 474.949 1.642 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc2ccccc2o1 1740960583 VNDAVGHJAKPCHJ-IBGZPJMESA-N 488.570 1.296 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 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C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(Cl)cn1 1748891723 DXGMRZAFFCEDRK-SFHVURJKSA-N 492.989 1.201 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-n2cccn2)cc1 1748929769 PNKUTIWNHKWBTL-HXUWFJFHSA-N 469.571 1.305 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNc2nccc(C(F)(F)F)n2)CC1 1748995032 WRRRMOWELYRWHM-UHFFFAOYSA-N 488.522 1.816 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCNS(C)(=O)=O)CC1 1748999162 KUUQPIXDZGQLLU-UHFFFAOYSA-N 460.604 1.168 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCc2n[nH]c(C)n2)CC1 1749017076 VGDZFSIEVPQGNL-UHFFFAOYSA-N 462.558 1.513 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749139941 JYSOFIIGSMQFHC-PXNSSMCTSA-N 455.563 1.616 30 10 JDEE C=C(Cn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccccc1 1749242207 FWLOLEHBVHRFGV-UHFFFAOYSA-N 452.559 1.622 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccccc1F 1749670172 RXEGCIOSXDQBJX-SFHVURJKSA-N 480.566 1.079 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1749721341 HPXOMRGANLUPOZ-GOSISDBHSA-N 480.635 1.104 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](COC)C1 1749755329 FTPPLXIDHZSJBK-MSOLQXFVSA-N 473.665 1.783 30 10 JDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1749756283 VZBOSIGMLFLPGS-MOPGFXCFSA-N 485.676 1.722 30 10 JDEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCS2(=O)=O)c1C 1751324020 BCWZGYXKSDGTJX-RTBURBONSA-N 474.587 1.799 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1760098038 NKEKXJSPNOCTKH-ZVDOUQERSA-N 474.631 1.728 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCNC(=O)C(C)C 1760102308 IBSAPVQUQSOEHU-QGZVFWFLSA-N 460.604 1.816 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1760138093 RCNIHPYHFZMAEP-NRFANRHFSA-N 489.598 1.822 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1760180656 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1760451111 ZYKQTKQGZQGOMD-NRFANRHFSA-N 496.678 1.658 30 10 JDEE C=CCn1c(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)nnc1[C@]1(OCC)CCOC1 1760514266 ZQQQQYYIPBFRCU-REHUZNOOSA-N 460.623 1.933 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1760552780 AOLFCIVSUPLFLX-IBGZPJMESA-N 477.612 1.821 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1760556652 LDQQCKRFDVXUHX-UHFFFAOYSA-N 481.644 1.296 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1760559708 RRHGUKCSGKLUSC-QGZVFWFLSA-N 461.636 1.222 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCO[C@H](C)C1 1762745434 HBMXNSIFKODYQQ-SQNIBIBYSA-N 488.618 1.297 30 10 JDEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1)N1CCCC1 1764276119 GPXZZUZLIATYNQ-OAQYLSRUSA-N 481.601 1.898 30 10 JDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C2CCCC2)CC1 1769379774 GMEMWINDFVDUJP-UHFFFAOYSA-N 487.630 1.733 30 10 JDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)C1 1769441589 FXTITDVFNYUMCC-IEBWSBKVSA-N 454.531 1.449 30 10 JDEE COCCN1C[C@H](Cn2c(COc3ccccc3OC)nnc2N2CCO[C@H](C#N)C2)CC1=O 1771129220 FYQMRTQDTSVEDI-QZTJIDSGSA-N 470.530 1.089 30 10 JDEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCNC(C)=O)=C(N)Oc2c1c(CC)nn2CC 1864326621 HRRYOESXQVBBPI-LJQANCHMSA-N 453.543 1.977 30 10 JDEE C=CCn1cc(OCC(=O)N[C@H](C)c2ccccc2)c(=O)cc1CN1CCN(CCO)CC1 1870415023 SNFRRPFPRATKKK-HXUWFJFHSA-N 454.571 1.400 30 10 JDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCC(C)CC2)cn1CCN1CCOCC1 1870497077 YJJQXBVIDMQYFT-UHFFFAOYSA-N 472.630 1.992 30 10 JDEE C#CCNC(=O)C[S@@](=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990669896 XBVQBGIWKTZCAO-PPGPUPIYSA-N 468.531 1.867 30 10 JDEE CN(CC[S@](C)(=O)=NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255618096 GDPANZKHEXUUSU-HKBQPEDESA-N 456.374 1.814 30 10 JDEE CO[C@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255836770 DQHJYKONXICGKF-KGLIPLIRSA-N 453.370 1.806 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2255839144 QWGFTVRYZLFCFH-CYBMUJFWSA-N 453.370 1.496 30 10 JDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC(NC(=O)C(F)(F)F)CC3)c2)OC1(C)C 2258235951 IECOXTANGZCRHH-UHFFFAOYSA-N 468.328 1.879 30 10 JDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(O)CC(NC(=O)OC(C)(C)C)C1 2267127624 KIKQPYGMFMNJLH-UHFFFAOYSA-N 467.397 1.899 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CO 2267193600 HYFCAJINRZCRHI-HIFRSBDPSA-N 450.345 1.057 30 10 JDEE C[C@H](C[S@@](C)(=O)=NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267525900 KLGFVWOXXJHHRM-RZQXLCLMSA-N 470.401 1.871 30 10 JDEE Cc1c(C(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281993305 ZDMBXDORAHJWFV-LJQANCHMSA-N 498.389 1.795 30 10 JDEE C[C@@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282042512 CMMCCNFZAHNIAW-OLZOCXBDSA-N 458.290 1.639 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 2282176122 PXZCXUFRIHATBQ-CABCVRRESA-N 463.388 1.928 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 2282330246 XBFLBFCLTIMCPY-LSDHHAIUSA-N 484.428 1.691 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)n1 2282492806 SVLMWWRLPTYSOL-OAHLLOKOSA-N 484.428 1.786 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)n1 2282494151 ZKJVDONYDDPYGW-LSDHHAIUSA-N 488.391 1.345 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1 2282497285 NTBOTZMWJPXPGG-LSDHHAIUSA-N 484.428 1.834 30 10 JDEE Cc1c(C(=O)N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282545562 XDXKOWFGGLQGRF-IBGZPJMESA-N 498.389 1.795 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1COCCN1C(=O)OC(C)(C)C 2282581157 DGSXFVLJYYJOLX-OAHLLOKOSA-N 464.372 1.393 30 10 JDEE CN1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)[C@H](CNC(=O)OC(C)(C)C)C1 2282614130 PVDRUIWSVBTHBL-OAHLLOKOSA-N 463.388 1.000 30 10 JDEE Cc1cc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2282831032 DIDCYJZQRUKLNL-ZWKOTPCHSA-N 482.408 1.553 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC2(CC(NC(=O)OC(C)(C)C)C2)C1 2282865783 YTHWZPMKPRMKJV-UHFFFAOYSA-N 482.412 1.397 30 10 JDEE COc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2nccs2)cc1O 2330748023 OOGMACIYUIDKHH-UHFFFAOYSA-N 461.529 1.698 30 10 JDEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2344194697 ZXGIKRLDGZKSRS-UHFFFAOYSA-N 454.304 1.312 30 10 JDEE COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2362568742 XKQKWSZCRTWVGK-XLXQAPSUSA-N 481.380 1.771 30 10 JDEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2364889535 KZAFSCVJIXPLAV-UHFFFAOYSA-N 466.315 1.542 30 10 JDEE C#CCN1C(=O)[C@H]2[C@H](C1=O)[C@@](Cc1ccc([N+](=O)[O-])cc1)(C(=O)O)N[C@H]2c1ccc(C(=O)OC)cc1 247849820 QWKBIEZDDKZUEA-ZDQHKECQSA-N 491.456 1.326 30 10 JDEE C#CCN1CCC[C@@H]1COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 729809192 JCNIWXGLEPZBDM-OAHLLOKOSA-N 471.373 1.724 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1-c1ccc(CC)cc1 839247657 IFUWDWVELDAQJF-UHFFFAOYSA-N 482.569 1.847 30 10 JDEE C#CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)[C@H]1CCS(=O)(=O)C1 918754978 OPPUVCJEBSBGAL-SFHVURJKSA-N 450.513 1.889 30 10 JDEE COc1cccc(NC(=O)CSc2nnc(NN=Cc3cc([N+](=O)[O-])ccc3O)n2N)c1 1084447127 RRQRFWUODHLPEP-UHFFFAOYSA-N 458.460 1.791 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286381562 NDZUOSZTUSTJKS-YQVWRLOYSA-N 465.620 1.638 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H](C)CN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1286393744 RTWWEAMQXLZCRW-GGAORHGYSA-N 490.718 1.911 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)Oc1cccc(F)c1 1286411192 ZQNVIAWGZJPHRB-TZIWHRDSSA-N 489.573 1.681 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(O)CCSC2)CC1 1286492911 BPVNEJBDHHPGCZ-XMMPIXPASA-N 469.611 1.733 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1286500613 WOOGCSXBJDACJL-IBGZPJMESA-N 489.667 1.874 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(S(C)(=O)=O)CCCC1 1286758601 RZAWCPLNRZDLQR-KRWDZBQOSA-N 487.648 1.147 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)C1CCCCC1 1286758630 SNRONOUGJLJKBS-IBGZPJMESA-N 480.635 1.581 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286790026 BHZQZRCZRZHCLF-NRFANRHFSA-N 497.600 1.083 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCN2CCOC[C@@H]2C1 1286815823 ASOOGYKTPLAVPI-INIZCTEOSA-N 496.431 1.829 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](CC(N)=O)C1 1286820835 SRLBYHGNGOJFPP-APWZRJJASA-N 475.571 1.483 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286825902 ZLDUCUHBCWNTRP-UHFFFAOYSA-N 456.638 1.294 30 10 JDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CC1 1299273379 BJYSXTAKVSCYJV-HXUWFJFHSA-N 452.563 1.125 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc(C(F)(F)F)cs1 1300465830 QXZNXTFQXJNWMB-LBPRGKRZSA-N 478.522 1.398 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 1300480106 XTYUNYYKACESBI-CQSZACIVSA-N 468.004 1.904 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1300731243 FBFZQWDZMZWGLG-UHFFFAOYSA-N 454.556 1.515 30 10 JDEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1300768378 QDGIVPREDOVEFX-IBGZPJMESA-N 454.600 1.994 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)CC1 1300884380 KEKDAVZJGDSRDH-ULQDDVLXSA-N 477.553 1.846 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1301187911 DPLAFHFZKAGSNK-VQTJNVASSA-N 493.634 1.378 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1301196997 MFSNYZAIFIDLNK-HNNXBMFYSA-N 450.540 1.847 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1301223014 LERIOXDKDKLRFQ-ZWKOTPCHSA-N 469.608 1.352 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1301241460 QWALRKXNRUXTRY-UHFFFAOYSA-N 483.616 1.023 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1301478477 LNXLYCBUUNXVLQ-UHFFFAOYSA-N 465.558 1.556 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)OCC)CC1 1301499868 GKEKHEOTODRQQI-UHFFFAOYSA-N 483.577 1.033 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)cc1OC 1301501655 ZPDWVDUOBRJWED-INIZCTEOSA-N 463.560 1.136 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1301567016 FANLSVSUFJVSSS-WBVHZDCISA-N 460.560 1.530 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCOC2(CCOCC2)C1 1301576025 PLALUANVTCCVMQ-UHFFFAOYSA-N 462.572 1.940 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1301577689 SFNKIJJCJMEZSH-CABCVRRESA-N 484.600 1.532 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H](OC)C1 1301586160 QNMCLJQQIBGWLR-LPHOPBHVSA-N 486.598 1.654 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(COC)CC1 1301612921 RITLRVQCOVORLP-KRWDZBQOSA-N 459.638 1.393 30 10 JDEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1301845936 COHNDNXQLIPMDB-UHFFFAOYSA-N 486.598 1.801 30 10 JDEE CC(C)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)N1CCCCC1 1302340394 CQUNDLSPOXIIMS-LAUBAEHRSA-N 483.614 1.317 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CCCn2cc(CO)nn2)c1 1302985900 CVYTXWLTWSDXTR-UHFFFAOYSA-N 475.479 1.675 30 10 JDEE N#Cc1c(N)sc2c1CCN(C(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1)C2 1304489396 CZQDNKHMKTUSRN-UHFFFAOYSA-N 452.583 1.607 30 10 JDEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1309428150 AEOLOWVITLWMOJ-DLBZAZTESA-N 459.613 1.598 30 10 JDEE CCOC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1314049371 BBZGVOKAFCMKHR-KRWDZBQOSA-N 455.567 1.285 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[C@H](O)C2)c1 1358902024 CPOMJSGQMXLAKP-HOJAQTOUSA-N 450.543 1.837 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2cnn(C)c2C)c1 1358903383 UTIUXPCOMWSKBU-UHFFFAOYSA-N 460.542 1.547 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1358930538 XGVLLFLARKUMRR-SFHVURJKSA-N 496.634 1.518 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1358958330 LTVNFHMFJBXBAZ-HNNXBMFYSA-N 467.954 1.843 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCCCO2 1358985340 WNJIJOQHIOJXOU-QGZVFWFLSA-N 457.556 1.561 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCC(F)(F)F 1358999797 CRSBVQJURYCYFS-ZDUSSCGKSA-N 460.482 1.732 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1359028483 UEBNOEPFTGWBGX-IBGZPJMESA-N 452.559 1.745 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@](C)(O)CC)CC1 1359042733 ROLUJBDLHDRRQD-XMMPIXPASA-N 453.543 1.843 30 10 JDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1359056682 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C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1507638060 CZRNMSHHNQUHOS-FQEVSTJZSA-N 485.610 1.627 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)N1CCOCC1 1507659041 LAJWRYXZUGIFMT-AQNXPRMDSA-N 456.591 1.842 30 10 JDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(S(N)(=O)=O)cc1 1507672405 ADXADTOXRHUITJ-UHFFFAOYSA-N 465.583 1.493 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1507710132 KAAWOUDTLRPAQE-XDHUDOTRSA-N 466.542 1.301 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1507719859 FUZDVZXJAHVIPB-MRXNPFEDSA-N 478.416 1.898 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(CS(C)(=O)=O)CC2)CC1 1507734734 VYQQYNAVXBUWGU-UHFFFAOYSA-N 485.610 1.744 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1508070963 GZWJBIGTIMLKRD-KRWDZBQOSA-N 465.518 1.022 30 10 JDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](S(C)(=O)=O)C1 1508107807 GOIOSGQFDGFOEK-SFHVURJKSA-N 459.572 1.637 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1509619153 FTKVSIKITNSYCF-QGZVFWFLSA-N 452.563 1.825 30 10 JDEE C[C@@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)CCCO1 1512526002 BQCUBZAFNBWGRW-WOJBJXKFSA-N 481.601 1.897 30 10 JDEE N#C[C@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCCS2(=O)=O)C1 1521069162 FCQIOXSVRJERAO-AUUYWEPGSA-N 466.564 1.679 30 10 JDEE COc1ccc(CC(=O)N2CCCc3nc(C#N)ccc32)cc1S(=O)(=O)N1CCOCC1 1530913054 AJCJMRSIRZAACO-UHFFFAOYSA-N 456.524 1.505 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN1C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539200329 HADOFRCQHUPQAF-LEWJYISDSA-N 490.674 1.840 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCN1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1539201920 CSCUNRNDHDWCMH-OAQYLSRUSA-N 484.626 1.101 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCCN1CCC(O)CC1 1539241320 AVMJLZCHZWQRHZ-UHFFFAOYSA-N 459.392 1.966 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC2(OCCOC)CCOCC2)CC1 1539453462 LCUSPVGXPYSKAA-UHFFFAOYSA-N 471.577 1.975 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCn2ccnc2C)CC1 1539467595 WSEGHYHTSLCLCT-UHFFFAOYSA-N 454.579 1.367 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCCC2(C)C)CC1 1539467744 YGYZWKYBRAXMRS-XMMPIXPASA-N 456.591 1.421 30 10 JDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1539705037 MPWKQIZVYGRMBW-MRXNPFEDSA-N 483.591 1.406 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1539729902 MPZNUTFIKOIQEG-SJORKVTESA-N 486.639 1.927 30 10 JDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1539948272 VUSDYQQURGLXJM-TZIWHRDSSA-N 457.623 1.859 30 10 JDEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)NC(C)C)CC1 1540856994 OHUXQBCUCILEFY-UHFFFAOYSA-N 478.601 1.898 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1540869663 TZIXFDIQMHGKAW-UHFFFAOYSA-N 454.604 1.954 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1540897119 BDGHWPNFZUXRKM-UHFFFAOYSA-N 494.643 1.477 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](SCC)C1 1540905267 SIRNUCGBVXGONC-DLBZAZTESA-N 476.690 1.893 30 10 JDEE CC(C)N1CCC(O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1541619092 DDCTVEHAUZCQQW-GHTZIAJQSA-N 464.636 1.546 30 10 JDEE CC(C)N1CCC(O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1541619099 DDCTVEHAUZCQQW-WIYYLYMNSA-N 464.636 1.546 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCOC[C@@H]1C 1545918020 CMCFABGTNJWOLN-IBGZPJMESA-N 495.632 1.510 30 10 JDEE N#C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1555994384 HQFMNLMGSDFVHS-RHSMWYFYSA-N 451.936 1.674 30 10 JDEE C#CCNC(=O)CN1CCN(CCOc2c(Br)cccc2Br)CC1 1559864778 SVKPYVWOWJOZPY-UHFFFAOYSA-N 459.182 1.957 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1588040388 MKNNUSFAWIAGGC-LJQANCHMSA-N 473.990 1.987 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCS(=O)(=O)CC=C)[C@@H]1CCS(=O)(=O)C1 1588040575 OQBNQPQLMJZFHD-GOSISDBHSA-N 478.596 1.181 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(COC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1588053028 ADAXXGGVZXCOLR-ZWKOTPCHSA-N 463.604 1.453 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCOC(C)(C)C1 1588088613 ADPJLTFRYIDKAZ-UHFFFAOYSA-N 483.642 1.730 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCSc2ccccc2)CC1 1588836664 NMXYDUUFOXIYIT-FQEVSTJZSA-N 490.655 1.159 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(=O)N(C)CC)CC1 1588876742 HMWJOJNDOFOCAQ-HDICACEKSA-N 459.595 1.282 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C2CC2)N(C)C)CC1 1588891419 PGWYVHBEQWPZKL-RDPSFJRHSA-N 458.607 1.236 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1589481930 DZMFVVXDKTWASC-HBMCJLEFSA-N 487.649 1.530 30 10 JDEE C=CC[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1)c1ccccc1 1594546025 WMRYWNRYXMGHGA-PMACEKPBSA-N 461.588 1.808 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)C)CC1 1594813049 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OOZJDHPKDHIWCM-IPMKNSEASA-N 454.545 1.840 30 10 JDEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)C(C)C 1674145241 CABVVAATSCWWPG-IBGZPJMESA-N 452.625 1.443 30 10 JDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1689880183 ULIBXTSJGSXTFR-UHFFFAOYSA-N 479.628 1.624 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1689930382 QNHKDPDKMRHERR-UGKGYDQZSA-N 477.562 1.261 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1689965650 AEXHPEYZXDMGAQ-OTWHNJEPSA-N 452.625 1.048 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CCCCN1CCC[C@H]1CO)[C@H]1CCS(=O)(=O)C1 1689986674 VCEQSOOVJFBBMJ-VXKWHMMOSA-N 471.627 1.809 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1689988907 YKNJTIJDYOCRGP-HOCLYGCPSA-N 457.585 1.930 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1690228701 CYJJQSMBMYJGHR-JKSUJKDBSA-N 486.436 1.831 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1690313484 VOLQWDJAQJVDSN-ROUUACIJSA-N 453.609 1.658 30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1690367085 ATGOZSOWEPKQPV-FQEVSTJZSA-N 466.585 1.055 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCCS1(=O)=O 1690621854 BHCNEHCECGXIBV-LJQANCHMSA-N 463.560 1.465 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1690672966 JNRKGWNYMGNRAO-FQEVSTJZSA-N 456.566 1.859 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCSC2(CCOCC2)C1 1690714864 WYSNVNJBBUXSMQ-UHFFFAOYSA-N 492.627 1.629 30 10 JDEE CN(C)C(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1696584643 FKXAHZMWSBWRRQ-KRWDZBQOSA-N 454.510 1.045 30 10 JDEE COC1(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1697221501 HYBWNNTWUASTIG-XLIONFOSSA-N 466.608 1.700 30 10 JDEE COC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)OC 1697752413 HZVGPYMISLRKTO-FQEVSTJZSA-N 456.547 1.997 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Cn1cccn1 1705494796 GAZOQNSORMIROQ-GHTZIAJQSA-N 483.598 1.362 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(F)F)CC1 1705526459 KKFROVZARQTSHZ-UHFFFAOYSA-N 466.558 1.996 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)N1CCOCC1 1705534556 KXNKNBMDWOYVAU-SFHVURJKSA-N 476.578 1.295 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1705561058 PNHYQFSIQVEXII-QGZVFWFLSA-N 466.523 1.306 30 10 JDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1705568613 RIDLVXQPBGJRAN-IBGZPJMESA-N 468.583 1.432 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1705570960 VUIWLTDVKDPGPD-HXUWFJFHSA-N 465.583 1.788 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN2CCOCC2)c1 1705598397 IWFHMELLNBYJTR-QHCPKHFHSA-N 481.622 1.524 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CC1(C(N)=O)CCOCC1 1705625607 QEQFMOOWAODABD-UHFFFAOYSA-N 451.506 1.740 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[C@@](C)(O)c2ccccc2)CC1 1705635411 YHNOQIFZVWTHFE-JWQCQUIFSA-N 453.587 1.983 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(=O)NC 1705661978 MLACUCDCXLCPRL-MRXNPFEDSA-N 466.608 1.525 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NCCOC)CC1 1705699347 FRVACWXOSQDYRG-SJBKTWHCSA-N 476.622 1.386 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NCCOC)CC1 1705699348 FRVACWXOSQDYRG-URVUXULASA-N 476.622 1.386 30 10 JDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1705734214 HJZQMTSDWSCFOQ-SIKLNZKXSA-N 455.607 1.865 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(-c2cccn2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C 1705867758 VGOGPMIRGPPXPA-TZIWHRDSSA-N 480.617 1.129 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1705890643 AKEYTHZEBKQEKT-KURKYZTESA-N 468.624 1.318 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)C)CC1 1705895808 SSFKDYBAQCCWDP-UHFFFAOYSA-N 450.385 1.879 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(O)CCN(C)C2)C1 1705917451 VHCXDJLZMAMWOK-BEFAXECRSA-N 451.369 1.884 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1705932327 BFJSFDSEIJGXSD-TZIWHRDSSA-N 492.598 1.947 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCC2)CC1 1710990299 BRWMTNAWFHUPCY-UHFFFAOYSA-N 467.574 1.244 30 10 JDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)CC1 1711414870 GKFDLUYNBFFOJH-MGBGTMOVSA-N 471.587 1.491 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1722308417 MVGMTKLAGSUXHR-FQEVSTJZSA-N 479.695 1.687 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1722333370 WCHGEOGHNHACLP-CYBMUJFWSA-N 454.478 1.965 30 10 JDEE C#CCCCn1c(N(C)CCNS(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722337924 DNWVDOIRPIWGGT-IYBDPMFKSA-N 454.597 1.448 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1722361686 IXCZLTZGKFLTTN-MOPGFXCFSA-N 493.033 1.467 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1722436681 KREHZKYTSRFSBP-PMACEKPBSA-N 454.550 1.411 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)Oc2ccc(F)cc2)CC1 1722447294 HHRHGUAZUKSGIC-OXJNMPFZSA-N 468.533 1.802 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1722448378 SSRUVQVQHNIZQB-AZUAARDMSA-N 455.607 1.315 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1722492890 FLRBBMKJHPONKE-FSSWDIPSSA-N 495.628 1.746 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1722729098 FFDZNMFPVMZQPH-OAQYLSRUSA-N 484.630 1.990 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC1 1722745720 DIOWREJTGOULOO-UHFFFAOYSA-N 451.531 1.123 30 10 JDEE CC(C)C(=O)NCCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1723092408 CFHCICMMCXGRHB-UHFFFAOYSA-N 459.558 1.629 30 10 JDEE CCc1nn(C)c(OC)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1727484708 CISVNTCGDBNAFZ-MRXNPFEDSA-N 478.557 1.748 30 10 JDEE CCN(CC)[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1728369955 BCLNAKVKGQVVAD-IBGZPJMESA-N 489.646 1.931 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1740581463 YIWNGUQVMOQCRH-UHFFFAOYSA-N 477.529 1.396 30 10 JDEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(CS(C)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 1740622667 GISPTVOKORLJQP-IBGZPJMESA-N 462.597 1.375 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1740622697 GZNQAQDXNYJKRA-INIZCTEOSA-N 484.582 1.244 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1740624562 IBYRBGYMJUMHJK-UXHICEINSA-N 459.572 1.086 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H]1CC(=O)N(CCOC)C1)[C@@H]1CCS(=O)(=O)C1 1740625613 RLCQQWXRBWKTMU-VQTJNVASSA-N 477.631 1.132 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1740626835 NJTGRSUWALYJOG-HSALFYBXSA-N 492.623 1.195 30 10 JDEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1740719277 CHZMXIZJSPTEFA-LJQANCHMSA-N 464.599 1.962 30 10 JDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1)c1ccccc1 1740797426 OVGQSZGPEISGGU-DEOSSOPVSA-N 465.558 1.944 30 10 JDEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740805657 UGBGBZGCHGKLPN-UHFFFAOYSA-N 474.949 1.642 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1740843939 UBOGBZFEBHFBMN-DOTOQJQBSA-N 451.597 1.802 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1740956508 MJGVQDVDBFYGDV-UHFFFAOYSA-N 483.920 1.926 30 10 JDEE CCN1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)CC1 1746467167 AIKXHPDSIBLOHL-QFIPXVFZSA-N 485.658 1.858 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1748802135 LSIPYTKRXOPJRX-HXUWFJFHSA-N 476.647 1.263 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@H](C)N1CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1748824962 UXHIOBCBZPHSOF-AZUAARDMSA-N 457.600 1.893 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOc2ccccc21 1748859449 SZZWNEBSDFNZJX-RXVVDRJESA-N 469.567 1.250 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1749009950 NCDHTUDSUMQNDF-QOCHGBHMSA-N 451.531 1.038 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@](C)(O)CCOC)CC1 1749010953 SUESVHHPLMHDGY-DEOSSOPVSA-N 469.542 1.427 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCCC(=O)NC2CC2)CC1 1749011193 YGXIXGAKCOEFAL-UHFFFAOYSA-N 464.570 1.978 30 10 JDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NC(=O)COC)CC1 1749043470 DOQWOUYNXLTVCN-UHFFFAOYSA-N 467.599 1.614 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C1CCC1 1749229579 LTMCXEPCAOGXGU-RBUKOAKNSA-N 453.609 1.973 30 10 JDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)OC 1749326905 BUBLSZXSKRCTPR-IBGZPJMESA-N 462.576 1.338 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1749457114 GGCNNZNGANYXHN-NRFANRHFSA-N 487.626 1.664 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccc(F)c1)N(C)C 1749487679 GOQFLBIFSSVGSK-OALUTQOASA-N 466.583 1.675 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1749663452 FUURAPHPEZJBFI-UHFFFAOYSA-N 454.560 1.395 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(c3nc(C)no3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749681983 MAPVZHSKWVCOFM-QFIPXVFZSA-N 459.551 1.696 30 10 JDEE C#CCCCn1c(-c2cccnc2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1760151543 FVNFKVBEEPQORP-CEXWTWQISA-N 486.598 1.880 30 10 JDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760155778 JFJMKDGEPKSUIK-UHFFFAOYSA-N 466.586 1.272 30 10 JDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1760170915 RPFYZVJQIDLIOD-MRXNPFEDSA-N 454.556 1.569 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1760182004 AIMCGVFMALVQFH-GOSISDBHSA-N 461.975 1.751 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1760191148 BNZAETXJEPBIDL-PZJWPPBQSA-N 485.566 1.161 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1760192598 WENNXWZWPPRICG-HXUWFJFHSA-N 455.584 1.578 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN(C(C)C)C(C)C)CC1 1760261468 MFYTYCXJKLGRBT-HXUWFJFHSA-N 450.653 1.444 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C2CC2)CC1 1760269817 PMSUUOWUNBWZEB-SFHVURJKSA-N 458.563 1.887 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@@](=O)CC)CC1 1760271103 LVUUVVMLSPRBPO-XIFFEERXSA-N 468.583 1.463 30 10 JDEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760345593 IURIBLXZQVLVMI-DLBZAZTESA-N 473.578 1.116 30 10 JDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1760516551 QDLWVAKFOKVSBY-UHFFFAOYSA-N 456.576 1.095 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1760577461 KZPPRWOANIRXFZ-VHXPQNKSSA-N 495.559 1.982 30 10 JDEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 1760600750 CLQUKPSQMCVFDN-JOCHJYFZSA-N 456.572 1.655 30 10 JDEE N#Cc1cccc(NC(=O)[C@@H]2CCN(S(=O)(=O)CCN3C(=O)c4ccccc4C3=O)C2)c1 1858396300 XFSGLTLBVUKEQL-MRXNPFEDSA-N 452.492 1.445 30 10 JDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2nc(C)c(C(=O)OC)s2)cn1C[C@@H](C)O 1870585532 BZUBQBJJTWZKDO-OAHLLOKOSA-N 490.582 1.972 30 10 JDEE C=CCn1cc(OCC(=O)OCCOCC)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870671226 RUFIANBAQKLEGO-UHFFFAOYSA-N 451.520 1.267 30 10 JDEE C=CCn1cc(OCC(=O)Nc2cc(OC)ccc2OC)c(=O)cc1CN1CCN(CCO)CC1 1870736922 WMJYBFBALAFGSI-UHFFFAOYSA-N 486.569 1.179 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)NCCCOC(C)C)nc1C 1872648971 CFQUBZCGGYUVIH-UHFFFAOYSA-N 481.531 1.669 30 10 JDEE Cn1nc(CNC(=O)C#CCNC(=O)OC(C)(C)C)c(I)c1Cl 1985075332 JUFJOUARXKIWGN-UHFFFAOYSA-N 452.680 1.822 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)[C@H](O)C1 2255631310 WSEGBUNKMWNJHI-TZMCWYRMSA-N 453.370 1.542 30 10 JDEE 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C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(c2ccncc2)CC1 1748929970 UUYZPLBVANGYRY-NRFANRHFSA-N 487.630 1.382 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC(=O)N1CCOCC1 1748959399 RUBWDJAVPFCELN-UHFFFAOYSA-N 463.542 1.466 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2F)CC1 1749004013 CEVFKVKDZIYECL-MRXNPFEDSA-N 476.578 1.350 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN(C)CC(F)(F)F)CC1 1749010162 OMLNGHVNJSAVIE-QGZVFWFLSA-N 456.513 1.632 30 10 JDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1749033956 SELJEEVCNZSEDR-CYBMUJFWSA-N 484.504 1.877 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1749044374 QEIXMJFJUALWHD-QGZVFWFLSA-N 471.612 1.738 30 10 JDEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749109042 AXZAMSLZMKXTEN-CHWSQXEVSA-N 484.376 1.538 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)c(OC)c1 1749489173 RXPHNKPDRSQPBV-IBGZPJMESA-N 465.576 1.493 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(c2ncccc2C#N)CC1 1749676564 VCOIVUJVZKZERL-UHFFFAOYSA-N 472.553 1.773 30 10 JDEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1750206461 FRKNPWJJYSHICY-QGZVFWFLSA-N 472.571 1.268 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1csc(C)c1)[C@H]1CCS(=O)(=O)C1 1760180404 DOXGFIMDBPEQNX-RXVVDRJESA-N 464.613 1.975 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760181670 ZMNPSCAHRNBZMJ-DPLHUUCSSA-N 493.674 1.821 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1760186483 NUWCUCHVUULRPB-UGKGYDQZSA-N 478.018 1.216 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CCS(=O)(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760191378 GIULFSJIRCJUOO-FQEVSTJZSA-N 492.667 1.903 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760192215 GNZDKHJJNRDHIK-BURNTYAHSA-N 479.647 1.361 30 10 JDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1760250949 PDTMRSGQSBJRCM-OAQYLSRUSA-N 478.601 1.894 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(NC(C)=O)nc2)CC1 1760251904 KXWCARQBTBLQOH-UHFFFAOYSA-N 452.563 1.353 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(F)(F)c2ccccc2)CC1 1760265998 NVYABYMBEMGENE-INIZCTEOSA-N 494.568 1.646 30 10 JDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1760396152 KBVRZOQCCJFFIE-UHFFFAOYSA-N 465.558 1.180 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1760525575 KHZVNXHBJFKNSE-UHFFFAOYSA-N 459.554 1.965 30 10 JDEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](C)(C(=O)NC)C2)cc1 1760531714 XFICXSAZSNDCNO-DEOSSOPVSA-N 452.559 1.976 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCC(=O)NC 1760550744 HYEZMGJTJQNBDE-UHFFFAOYSA-N 459.370 1.209 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1761464994 AGSLPFRWVXRRMR-QAPCUYQASA-N 480.616 1.364 30 10 JDEE COc1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cc1 1768611053 CXTUABPBNGJYEX-VQIMIIECSA-N 462.576 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CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1F 729671317 FXOFCTTYDNNQTE-UHFFFAOYSA-N 461.522 1.961 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1286387617 GYPPWEGJSLPMEP-SFHVURJKSA-N 460.556 1.770 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1286392372 BMNZKGCZBAIUHB-SJLPKXTDSA-N 491.639 1.711 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1286392731 BWFXPNZDHURPCM-SFHVURJKSA-N 484.607 1.648 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCOC1=O 1286426286 QKULPQWENPQWMR-UHFFFAOYSA-N 473.537 1.980 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1COCCO1 1286458188 MHRQVHUIGDLKQR-AZUAARDMSA-N 462.547 1.765 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1286494549 VGBQVMKXGMJMCV-WOJBJXKFSA-N 482.560 1.231 30 10 JDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](C(N)=O)C1 1286503302 DVUWPMDQXQXVRS-OAHLLOKOSA-N 461.617 1.306 30 10 JDEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1286504397 QVHXLODOAVCMLM-UHFFFAOYSA-N 471.612 1.579 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN1CCN(CC)CC1 1286516770 LPAZRYDXDKEGFB-CNNODRBYSA-N 465.668 1.154 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286529815 AIIDFHNAYTUJNC-AWEZNQCLSA-N 482.383 1.578 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286542883 DLVMNXNRBMNCGD-UHFFFAOYSA-N 489.440 1.559 30 10 JDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1286612117 AOBXEAYRMMXWGP-HXUWFJFHSA-N 477.635 1.737 30 10 JDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286613131 QYQATSVVHINVMN-UHFFFAOYSA-N 470.622 1.477 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1286779633 KVBLRLJFOOWZDD-WBMJQRKESA-N 477.338 1.864 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286790036 ZFKMFHIPKHSNFE-LJQANCHMSA-N 472.977 1.652 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1286792206 QSAMSYSZAFYTHJ-SFHVURJKSA-N 464.530 1.071 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](NC(C)=O)C2)cc1 1286794277 BLTNKFIGGXJGCU-VQIMIIECSA-N 476.603 1.606 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1286846908 FDAOBWDICZDYMS-WOJBJXKFSA-N 485.614 1.403 30 10 JDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1286865613 KDWVSWZAPQSJDZ-XDOYNYLZSA-N 464.530 1.234 30 10 JDEE CCn1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCOC)Cc2ccc(C#N)cc2)cn1 1295926799 CHYYTQSXVGHDAJ-OAQYLSRUSA-N 483.598 1.970 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(C)(C)O)c1 1298096243 CQTYOOUFKBDUPX-FQEVSTJZSA-N 450.540 1.798 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1299301434 GANCRZGZKZSGPM-UHFFFAOYSA-N 473.534 1.733 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1300478794 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C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1301217099 ZEVGLIWUGYEOSP-HNNXBMFYSA-N 450.565 1.738 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1301436172 RWQYHVPDJXZWJZ-IBGZPJMESA-N 487.630 1.964 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1301499629 CTWVCSUYFSZLIY-INIZCTEOSA-N 498.650 1.564 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1301518534 IRNSEJHKCMFTBE-UHFFFAOYSA-N 470.574 1.863 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1301586983 QHIBNDAJBOFKBL-SFHVURJKSA-N 494.643 1.062 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1301663845 JHZRPFMWEJZPMT-ZABCRHKISA-N 478.557 1.095 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccccc2OCc2ccccc2)CC1 1313115984 MWVWHQJTEYLEAB-UHFFFAOYSA-N 456.568 1.603 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2ccnn2C)CC1 1314674020 FGFNWLWOQCILBG-UHFFFAOYSA-N 468.587 1.826 30 10 JDEE CN(C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C1)S(C)(=O)=O 1314802537 BZTZOGSDYHKMDO-CVCYQNGTSA-N 490.655 1.836 30 10 JDEE C#CCN(c1nnc(CC)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1)[C@@H]1CCS(=O)(=O)C1 1358963431 HWEIVXFCDNTASE-PKOBYXMFSA-N 458.588 1.136 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NCCC 1358991888 SHIIOIQPXDUBNV-UHFFFAOYSA-N 455.588 1.617 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(OC)CCOC1 1359019447 VRAMHQCJEWWYRU-LJQANCHMSA-N 452.353 1.938 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2CCNS(=O)(=O)CC)CC1 1359043073 GCIBXRODUAKUFE-UHFFFAOYSA-N 495.609 1.398 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1359292786 XUOFKFRWUKNKLC-QGZVFWFLSA-N 483.964 1.634 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(NC(C)=O)c2)C1 1359322500 WYBYEZOZKCWQPD-AZUAARDMSA-N 459.572 1.968 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC)[C@H](C)C1 1359326721 IKKUUVBIZMSDFL-QGZVFWFLSA-N 495.049 1.993 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnc(C(C)C)nc1 1359332658 CUUXKSHCIPDCHW-KRWDZBQOSA-N 482.632 1.331 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1359333702 HBPBHXHJJRZIIP-UHFFFAOYSA-N 470.592 1.622 30 10 JDEE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c1 1447214482 GHSJTKFSMQXBLN-FQEVSTJZSA-N 456.524 1.138 30 10 JDEE C[C@@H]1CN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)CCCO1 1494518006 GKMMTENONWVVBV-QZTJIDSGSA-N 467.640 1.519 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCC[C@H](C)C2)CCO1 1503770952 GZOLKJRROAETOG-WFXMLNOXSA-N 451.575 1.888 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(N(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 1507623497 YDBDUAOLEZAGIB-FQEVSTJZSA-N 472.615 1.466 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1507623817 XPDFVHHAIGRWHC-FUHWJXTLSA-N 475.546 1.486 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCN2C 1507660289 PVAIDDWHCDQCIV-GOSISDBHSA-N 454.600 1.782 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc2ccccc2o1 1507711266 SAXNYFAOZPODEU-OAQYLSRUSA-N 487.582 1.686 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1507741309 ZALHBBLYBPGHRY-DENIHFKCSA-N 454.575 1.348 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507744980 YGOZWIIBIAWVIO-IEBWSBKVSA-N 471.583 1.874 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1507777887 BIYFKOBOMHHRLC-QWHCGFSZSA-N 493.428 1.900 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(=O)N(C)C)CC1 1507868285 HGYDVAHOXHIQAR-MRXNPFEDSA-N 475.015 1.058 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1507943508 IRPYXLPWJUCGQL-ZDUSSCGKSA-N 466.530 1.749 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1n[nH]c(C)n1 1508000006 SZELMURIPMICAG-IBGZPJMESA-N 466.571 1.914 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1508072359 FOWIBDJHJSUWMA-MRXNPFEDSA-N 459.595 1.034 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCSC2(CCOCC2)C1 1508074102 QCPQCDCVBSFYRH-UHFFFAOYSA-N 491.639 1.753 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1508096624 BGDOZUNSYCGQJX-DEOSSOPVSA-N 454.575 1.948 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1508105907 QMKYUHCXIZJDKY-WDSOQIARSA-N 488.614 1.749 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1508141804 OPHXCKBDCCAUJX-QFBILLFUSA-N 497.643 1.965 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539101556 BDRYXZXSOMJGLE-IBGZPJMESA-N 484.582 1.529 30 10 JDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)c1ccccc1 1539238462 XTJBLGWGPARTJM-HSZRJFAPSA-N 456.568 1.865 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCn1cc(CO)nn1 1539338267 TYQJOMYNBBHGEK-KDURUIRLSA-N 482.589 1.686 30 10 JDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc2c(c1)C(=O)NCC2 1539421020 NRSXXTNCRZHWKT-UHFFFAOYSA-N 478.578 1.690 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(SC)CCN(C)CC2)CC1 1539477139 IQCNOBYTLDRQCB-GOSISDBHSA-N 473.647 1.022 30 10 JDEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C)C(=O)[C@H]1C 1539497067 JMGPUCDVTPAUKC-MRXNPFEDSA-N 475.644 1.580 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1539916720 MMSVFDBWILUIJU-MRXNPFEDSA-N 473.665 1.643 30 10 JDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1539925697 BKIKKDMWXMKZOA-UHFFFAOYSA-N 491.618 1.643 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1540029498 SQTYYLVVGULYKS-AZUAARDMSA-N 473.599 1.998 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1540900370 SQAUVWJZCNYPAJ-LJQANCHMSA-N 452.544 1.851 30 10 JDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCS(=O)(=O)Cc2ccccc2)CCOC1 1547917705 BIJGWSHIVVPKEQ-REWPJTCUSA-N 489.598 1.664 30 10 JDEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC1(N(C)C)CCOCC1 1554319912 DCUQZBKTFAJNFB-UHFFFAOYSA-N 476.603 1.320 30 10 JDEE COCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](CNC(C)=O)C2)CCOCC1 1555299307 HIQKDTNCYAWLFZ-OAQYLSRUSA-N 468.558 1.601 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@@](O)(c2ccnn2C)C3)s1 1558362898 MUAMSXSYCSHTSR-QVDMIQRCSA-N 450.586 1.530 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1587555095 CQMRJJGHTLZPHB-IAGOWNOFSA-N 460.546 1.884 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccccc1S(=O)(=O)N(C)C 1587621050 NLBZXFWDJPEQHX-HNNXBMFYSA-N 470.555 1.762 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1Cl 1587638655 GLWIEILJLDRODK-YJBOKZPZSA-N 451.980 1.965 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1588053115 BECDMNOYUCONJD-MTQWCTHYSA-N 450.605 1.860 30 10 JDEE C=C(Cl)C[C@H](NC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)C(=O)OCC 1588121804 HYXQSZMOCPZVSD-SFHVURJKSA-N 457.980 1.637 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCC[C@H]1CO 1588386648 QNDZWDLJKNBRTR-VXKWHMMOSA-N 471.627 1.645 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1ncn(C)n1 1588613163 UOGLGGJPOCXCEJ-UHFFFAOYSA-N 460.336 1.979 30 10 JDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1593735276 BCYWJMAXRMTBPP-RXVVDRJESA-N 454.579 1.317 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1595500777 FHCLJBJBTNNYRF-UHFFFAOYSA-N 452.563 1.821 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(Cc3cc(C)no3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1595602500 LJYSZJGBLVDHBX-HSZRJFAPSA-N 473.578 1.240 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1595603056 WNURTYNWBUKUPH-BRWVUGGUSA-N 492.577 1.182 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1595760886 UPOUQENBZZHGJI-MOPGFXCFSA-N 458.588 1.635 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)C1CCC(NC(C)=O)CC1 1595789491 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C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1690672656 ZEKBKFHPCDWVQY-UHFFFAOYSA-N 479.629 1.880 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC(N)=O)CC2)cc1 1690679877 BSFTZOKEZYTXMZ-IBGZPJMESA-N 473.599 1.885 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)c2c(C)noc2C)C1 1690699473 FSUACFXOFIKSHC-LZQZEXGQSA-N 494.618 1.801 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1705524463 MDYOHVOGUYPYGE-INIZCTEOSA-N 461.548 1.537 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCOC1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1705558883 KRRNEBIRKUAURE-SFHVURJKSA-N 465.620 1.782 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1705561540 URSIOVYZGYFAQJ-RBUKOAKNSA-N 473.599 1.798 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1705570982 VZGMWBDBPADAHD-JAXLGGSGSA-N 457.600 1.952 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CC(=O)N(CCOC)C1 1705600219 QECYRPQIFXDJIM-FQEVSTJZSA-N 459.554 1.474 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCOCCN(C)C)CC1 1705632556 TZQLSRNYYFTOHE-UHFFFAOYSA-N 453.591 1.481 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1705635199 SZBCKROTRZZPES-SFHVURJKSA-N 478.594 1.051 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1705725667 MLCYGEMAYHZKQN-QRVBRYPASA-N 453.609 1.830 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1705725751 PKOJIYNYKKWCFM-INIZCTEOSA-N 483.664 1.191 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)CC1 1705791744 CTOQZYJFAIMBIK-IBGZPJMESA-N 468.668 1.991 30 10 JDEE C=CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1705803261 KQMQFEUEFAVUDY-UHFFFAOYSA-N 451.535 1.645 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCOC1 1705864804 NBUCVBBRUKLRKD-LAUBAEHRSA-N 450.536 1.663 30 10 JDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1705890280 HPHWEFSIJFKMDO-SJORKVTESA-N 451.618 1.937 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(CC(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1705938611 DUOIRMWJXHAZCD-SFHVURJKSA-N 481.541 1.215 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC(C)(C)OC(C)(C)C2)nnc1[C@]1(OCC)CCOC1 1705938791 JKTSQORQDUYVSN-NRFANRHFSA-N 456.609 1.925 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cn(CCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1722366560 HWIKKHFFLSVRRF-RBUKOAKNSA-N 473.603 1.209 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)CC 1722391226 YEIVFEJFBKXPBT-UHFFFAOYSA-N 461.975 1.759 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(OC)c1 1722396528 JHFGZAGMXRBKDB-LJQANCHMSA-N 469.567 1.082 30 10 JDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1722536650 YDEVWKQSJBCUBV-OAQYLSRUSA-N 460.560 1.893 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2c2cc(NC)ncn2)C1 1722709699 WGTRZJLJXLDMCC-ROUUACIJSA-N 469.594 1.698 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1722739898 YPESGUFOHWPQEI-INIZCTEOSA-N 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C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCCc1cnn(C)n1 1760244194 MXXDUUWAYHZFJN-UHFFFAOYSA-N 461.368 1.893 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc3c(cc2OC)C[C@H](C)O3)CC1 1760265264 UXAVUVWBHYNKEF-KRWDZBQOSA-N 494.596 1.762 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC2(O)CCN(C(C)C)CC2)CC1 1760269960 QMQVCLBATZZALZ-OAQYLSRUSA-N 472.634 1.721 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)N2CCC(OC)CC2)CC1 1760270884 DOOFAMGNOITBLD-UHFFFAOYSA-N 499.660 1.256 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc2c(c1)OCCO2 1760274369 IXNODRBTYBIXMY-OAHLLOKOSA-N 465.601 1.662 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1760357168 GDCZUCMJUUQSRE-IXDOHACOSA-N 477.578 1.931 30 10 JDEE C=CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)COC)CC1)c1ccccc1 1760417596 FXCDNGGFCRDUPU-SFTDATJTSA-N 487.626 1.835 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCO[C@H]1C 1760481361 UPXLLIQTJZLPEJ-GREBRCKQSA-N 491.614 1.344 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)OC[C@@H]2C1 1760555177 ZGNFTRYKNIDVEY-AWEZNQCLSA-N 467.498 1.389 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760557267 GAJDZIWKDAKCAW-QUCCMNQESA-N 489.598 1.607 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OCc2ccccn2)cc1 1761500248 HTXHDXIEHQLCKG-UTKZUKDTSA-N 497.581 1.639 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCS(=O)(=O)C1 1771100016 DHSNAOUWLYODHA-RTBURBONSA-N 472.571 1.189 30 10 JDEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)SC1=Nc1nccs1 1772718570 YZVBKROYCIIIEN-CYBMUJFWSA-N 451.555 1.937 30 10 JDEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCNC(C)=O)cc(OC)c1O 1862612448 KDAOMMLOANUJTK-NRFANRHFSA-N 498.488 1.895 30 10 JDEE N#Cc1c(NC(=O)COc2cccc3c2C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)sc2c1CCC2 1865751020 GEPZDSDFHRWSNV-CQSZACIVSA-N 478.486 1.527 30 10 JDEE CC[C@H](C)[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(S(N)(=O)=O)cc1 1869934056 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1.634 30 10 JDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286703859 UCOOKOXSSHJNKI-UHFFFAOYSA-N 454.579 1.377 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCS(=O)(=O)C1 1286746522 AALNLYVNEPSXMK-DYESRHJHSA-N 463.535 1.111 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(NC(C)=O)CC1 1286815544 AVMWHIYPPRMRMM-UHFFFAOYSA-N 477.587 1.668 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286822512 DYPJQEGZWOLZQM-OAHLLOKOSA-N 450.590 1.858 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1286823768 QPWNKGLWAIOUBD-RBBKRZOGSA-N 489.642 1.923 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H]([C@@H]3CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1286825530 SDUJYSLECIHEQD-UEXGIBASSA-N 454.593 1.394 30 10 JDEE CC(C)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1287993239 GPEKJVAYIQJQOK-UHFFFAOYSA-N 481.601 1.931 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[S@@](=O)C[C@H]2c2cnn(CC)c2)ccc1F 1297283653 PUBNLRLYPAMRTF-SFNQZPIRSA-N 454.549 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CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C1 1690932416 AOYLAXHTDBRDBV-MRXNPFEDSA-N 463.464 1.848 30 10 JDEE CC(C)n1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCNS(C)(=O)=O)c2ccccc2c1=O 1692661106 FYRLFLCQICTPFJ-HNNXBMFYSA-N 472.575 1.523 30 10 JDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)CCO1 1697909578 BWSYWVWMWAQXHT-IBGZPJMESA-N 466.498 1.603 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCN1CCN(CC)CC1 1705485791 PQDQMRVMHXVSGN-HXUWFJFHSA-N 462.606 1.796 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 1705565681 JBEUJTDKIGBIJN-OAHLLOKOSA-N 458.494 1.883 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)NC(C)C 1705575448 KSJPMTPWUDXZQS-UHFFFAOYSA-N 451.556 1.736 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccsc1 1705613369 ZHYSQNNOOYJTLT-LPHOPBHVSA-N 453.590 1.040 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2Cc2ccc(C(N)=O)nc2)n1 1705630977 MZEQOQAOJWCZFK-UHFFFAOYSA-N 450.547 1.601 30 10 JDEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705686599 DSHFIGLQOIAVGD-HNNXBMFYSA-N 462.352 1.959 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1705900148 RLURSNAZWSMOIP-RBUKOAKNSA-N 468.606 1.392 30 10 JDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1705906087 ROHDJSRQFDHGJU-GOSISDBHSA-N 452.625 1.421 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1705931603 VDFNGQRJULXMGA-INIZCTEOSA-N 498.403 1.260 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1722403042 UHWZESNZYXWIEL-CTNGQTDRSA-N 474.631 1.730 30 10 JDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722458683 QFLZRVIBIOXRNF-AWEZNQCLSA-N 458.569 1.584 30 10 JDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722523928 BNBCQYGJGJUARZ-MOPGFXCFSA-N 490.605 1.990 30 10 JDEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722530320 CTJKILIFWUFQLL-UHFFFAOYSA-N 482.585 1.817 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(NC(N)=O)cc2)CC1 1722583880 VUOJLGMKQIYZBJ-IBGZPJMESA-N 489.602 1.552 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722688792 LNXDECDLKBXWAO-GJZGRUSLSA-N 451.524 1.483 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(CCOC)CC1 1722689690 XCNPFSLNIUPENT-UHFFFAOYSA-N 463.380 1.778 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722693673 WUYKWGLFRCWURV-MRXNPFEDSA-N 452.968 1.419 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722701088 FRSVEDYXSUDIFL-UHFFFAOYSA-N 485.614 1.513 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)N(C)CC)C1 1722719179 RKDKCRQIWLBDHL-MSOLQXFVSA-N 478.594 1.846 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1722724996 BUUBGFGJSYFMIW-AWEZNQCLSA-N 472.493 1.446 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1722725396 KUEUWDZSJJVZKH-ICSRJNTNSA-N 475.615 1.711 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)NC(C)C)C[C@@H]2C)CC1 1722797044 BEYABYJJKKTGMB-WMZHIEFXSA-N 492.628 1.720 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@H]2CCS(=O)(=O)C2)c1 1740563180 QUTLVKIURIRJQL-GOSISDBHSA-N 464.551 1.831 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1740580993 MOKKOWRLGCKSNN-SFHVURJKSA-N 460.604 1.775 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1740625150 MRRCASCMWFXYEI-RTWAWAEBSA-N 490.651 1.771 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1740626013 RDJWIUIGPGSFCU-PKOBYXMFSA-N 473.574 1.549 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)N(C)Cc2ccccc2)CC1 1740690567 KLJBLEMNEYCLHE-UXHICEINSA-N 473.647 1.164 30 10 JDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1740696739 DTRULOPTGPFZKL-HSZRJFAPSA-N 499.610 1.845 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740751726 OFAPCUBLQHDGCN-HKUYNNGSSA-N 489.602 1.378 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1740805402 PBTBLHSCCSDEGJ-DOTOQJQBSA-N 464.979 1.663 30 10 JDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1740958606 FAOUQEJUJAXRJD-UHFFFAOYSA-N 457.560 1.247 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[S@@](=O)CC)C1 1740974723 OWPKZSKLVSQKRA-ADKRDUOOSA-N 452.602 1.899 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2N(C)CCCC2(C)C)C1 1740979179 BWOQTGYDBDECKQ-AABGKKOBSA-N 496.678 1.513 30 10 JDEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1741798660 DBMUSZYPOILVHB-HZPDHXFCSA-N 484.586 1.212 30 10 JDEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)COC)CC2)CC1 1746433541 DWBJJXGBBHNDND-FQEVSTJZSA-N 480.617 1.138 30 10 JDEE C#CCN(c1nnc(C)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)[C@@H]1CCS(=O)(=O)C1 1748805544 UJMCEEZIPHGKER-UXHICEINSA-N 457.556 1.379 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748809083 PQRGLDXCEKEKRE-OAQYLSRUSA-N 480.594 1.892 30 10 JDEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)c(OC)n1 1748812767 FLLIIBWQJIAZBG-KKSFZXQISA-N 460.560 1.771 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CC(=O)Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1748819125 LCMVTSUSGLVOAH-HXUWFJFHSA-N 482.541 1.668 30 10 JDEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1CCS(=O)(=O)N1CCSCC1 1748855658 GIWJGFXKCOFCGL-UHFFFAOYSA-N 487.651 1.925 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCN1CCN(C(C)=O)CC1 1748950054 DTESZIZIAOGKSN-UHFFFAOYSA-N 492.422 1.296 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@]2(O)CCO[C@H]2C)CC1 1749011149 WJJZERXQKMXIJJ-BXKMTCNYSA-N 453.543 1.459 30 10 JDEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1749234565 HUGNDQMENNIOJR-UHFFFAOYSA-N 474.606 1.111 30 10 JDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1749430361 SCSBELUZRGYDFS-HNNXBMFYSA-N 465.605 1.471 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H]1CCCCO1 1749667340 YLZRLQMZWNILGE-INIZCTEOSA-N 461.592 1.546 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(OC)cc2)C1 1749711600 AYGQEDFHZDIOCH-SFTDATJTSA-N 491.614 1.644 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1749724087 GZZLLQWDCBVMJJ-IBGZPJMESA-N 475.615 1.713 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749726776 DLIFQGIZDCYQKH-UHFFFAOYSA-N 495.049 1.846 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1749736461 JKMKMEPTVBHCCS-UYAOXDASSA-N 494.687 1.782 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](N2CCCC2)C1 1749756323 WPDPBVJPWDUQQT-RBUKOAKNSA-N 484.692 1.595 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1760144791 BEKYMCKQUSJTFD-MRXNPFEDSA-N 464.567 1.776 30 10 JDEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760149199 ABLMNSMSNCYXHB-MRXNPFEDSA-N 471.359 1.576 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760182892 MZCOXPKZEUHCHQ-PWHSHALESA-N 478.663 1.554 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760186265 LNFWMJBYIKUASW-OALUTQOASA-N 484.644 1.014 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1760186299 MAMZSJBICHUPQZ-GTCCEBARSA-N 462.547 1.175 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C[S@@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1760187754 FWMRBSRTKVTXPG-FZYZMVIOSA-N 471.608 1.827 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1760189067 GJWIIGDZIQVQKO-FQEVSTJZSA-N 481.578 1.956 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C(CC)CC)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760190766 YRKYPQZEMVVXNL-QUCCMNQESA-N 459.620 1.728 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCN(c2ccccc2)CC1 1760205586 FJAKFIGWJUFULF-JOCHJYFZSA-N 480.638 1.465 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1760258389 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CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282965595 CLGKDTIYTLGROZ-PBHICJAKSA-N 462.352 1.961 30 10 JDEE Cc1cc(NC(=O)[C@@H]2CNC(=O)CN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2283984777 ADUOTIPHKJGJQE-KRWDZBQOSA-N 459.352 1.968 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H]2C[C@]2(CNC(=O)OC(C)(C)C)C1 2288266720 NBHKKZDUBGJIJM-SZNDQCEHSA-N 482.412 1.255 30 10 JDEE COC[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2289506002 HNDHWLRCKCKWPD-CABCVRRESA-N 464.372 1.711 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2315691581 UXUKVBACNZIQHD-HXUWFJFHSA-N 453.370 1.544 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)Nc1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2359391213 OITZDZQAFVMVTF-BRWVUGGUSA-N 482.770 1.919 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)N2CCN(Cc3ccccc3)CC2)CC1 12819060 AHGQSVDLQQAEAR-UHFFFAOYSA-N 467.595 1.209 30 10 JDEE C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)(O)O 38595443 UWJRRPBVAKDVFZ-BULBTXNYSA-N 458.419 1.767 30 10 JDEE in-vitro CN(C)CCCN1C(=O)C(=O)/C(=C(\O)c2ccc3c(c2)OCCO3)[C@]12C(=O)N(C)c1ccccc12 102620394 GJGRJXGTYBVKML-VYNOCKSYSA-N 477.517 1.962 30 10 JDEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3ccc(I)o3)N2N1 588226969 ZWAVZAIDDRYPHR-OAHLLOKOSA-N 464.288 1.946 30 10 JDEE N#CC(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1ccc2c(c1)OCCO2 729672562 UVOQNIMWZKQKML-UHFFFAOYSA-N 455.499 1.598 30 10 JDEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C(=O)NC[C@H]1C(=O)O 757548563 WPWZUAAFNPUCKW-HLAWJBBLSA-N 461.474 1.232 30 10 JDEE CC(C)OCCS(=O)(=O)N1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 1191366477 GCOIJZOPNRQRKE-SFHVURJKSA-N 454.568 1.833 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCN2CCCO)c1 1286309269 JBEKRJWTGWJJKY-QFIPXVFZSA-N 476.585 1.582 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1286353451 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C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c2c(c1)OCCO2 1300509004 CHMKCYSDMFPXKE-CQSZACIVSA-N 463.947 1.434 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c(OC)c(OC)c1 1300509504 NKCDIQRXIDIZMH-CQSZACIVSA-N 465.963 1.680 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(N2CCOCC2)CC1 1300657725 RGVRTJPCJPEJAO-UHFFFAOYSA-N 463.380 1.987 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](OC)C(C)(C)C1 1300849286 MYTUKQSCGNTPBO-UONOGXRCSA-N 478.413 1.381 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1301019356 HYQASIIWXOIIRU-QGZVFWFLSA-N 494.021 1.988 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1301258530 VEULEJSYAJTFJG-UEXGIBASSA-N 454.593 1.547 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc2c(s1)CCCC2 1301297078 LUSFLFIYWSVIQZ-INIZCTEOSA-N 466.633 1.811 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(C(=O)C2CC2)CC1 1301482816 CPCJJCSOMBULCJ-UHFFFAOYSA-N 476.379 1.787 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1301497857 GAYAZVHTPZAILR-IRXDYDNUSA-N 454.531 1.890 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H](OC)C1 1301586164 QNMCLJQQIBGWLR-VQIMIIECSA-N 486.598 1.654 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccco1 1301589886 ZHABQYMYGFPYEM-HOTGVXAUSA-N 454.574 1.716 30 10 JDEE CC(C)N(CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N)C(C)C 1301967666 FIDNARJRIIQVMH-QZTJIDSGSA-N 455.629 1.326 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccc(F)cc3)n2CCS(=O)(=O)N2CCSCC2)C1 1302978001 FTMWQPIVQLCOQY-FQEVSTJZSA-N 482.582 1.829 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCCCS1 1303858357 BSQOBFPSVRSHNI-WMZOPIPTSA-N 490.659 1.767 30 10 JDEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1306546891 DRDIUXKGKJFXEU-FXAWDEMLSA-N 464.574 1.925 30 10 JDEE CC(C)NS(=O)(=O)N1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 1307765387 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C#CCN(c1nnc(COCC)n1C[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCS(=O)(=O)C1 1358967472 KZAOKSWCLSOPQR-YADHBBJMSA-N 487.626 1.342 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H]1COCCO1 1358987525 KCGKIKKRTSDDTI-HXUWFJFHSA-N 471.583 1.464 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CCNS(C)(=O)=O)CC1 1359032607 UWUZRQRGXKAEHM-UHFFFAOYSA-N 484.582 1.422 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)N(C)Cc2ccccc2)CC1 1359044560 IXEFLCMOIFBAOA-JOCHJYFZSA-N 478.597 1.797 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCCn2ccnc2C)CC1 1359046671 BBDFKTYEOJJMPA-UHFFFAOYSA-N 466.590 1.352 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 1359091366 MOOKBMBBHNIUIK-TUVASFSCSA-N 467.514 1.637 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](C(N)=O)C1 1359295909 QXIVQRORYZCBQB-LLVKDONJSA-N 451.300 1.461 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@](C)(C(=O)NC)C1 1359296877 XMZXBGQHVJAEQX-FQEVSTJZSA-N 461.364 1.972 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1359331680 GADAWVHUDIMNMZ-JOCHJYFZSA-N 494.706 1.768 30 10 JDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1449477091 CPABQYUWRODNQR-AEGPPILISA-N 458.462 1.094 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCOC2)c1 1507548362 RIYAUUWIWYVFJD-WMZOPIPTSA-N 474.587 1.371 30 10 JDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507554328 PGYFBKNBLGRLQP-UHFFFAOYSA-N 464.574 1.473 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1507587764 ACNWGADILZGHPE-GOSISDBHSA-N 482.010 1.716 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc(C)cn1 1507652292 HOKIXQVIALIHCC-IBGZPJMESA-N 453.547 1.864 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOC(C)(C)C 1507797600 MDYCQGSTLCUWMO-OTWHNJEPSA-N 485.651 1.844 30 10 JDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1508070916 GHCKWYSRPGCDKO-TZNCUMHOSA-N 497.618 1.315 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1508135196 KYHQOIKKNWKCQV-INIZCTEOSA-N 463.560 1.831 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(C)(C)O)C[C@@H]2C)CC1 1508278074 ZYYSLIYLGQWWBQ-PGRDOPGGSA-N 465.602 1.967 30 10 JDEE CC(C)(C)OC(=O)N1CC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)C1 1508631026 DEOICCUKEFJAGD-QRWLVFNGSA-N 468.555 1.489 30 10 JDEE C[C@@](O)(CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)c1ccccc1 1510231543 CEZWCZCDXFFDOE-NFBKMPQASA-N 488.614 1.649 30 10 JDEE CC1(C)CCCN(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)C1 1510311638 CPNCOTBNQICMQD-LAUBAEHRSA-N 483.614 1.175 30 10 JDEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1)N1CCCC1 1513441329 ICNDAPUUDYOAND-NRFANRHFSA-N 451.575 1.986 30 10 JDEE COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1519113000 BBDVMCLSYOGMAW-IBGZPJMESA-N 452.563 1.006 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1538970621 DCMJJJFFJJKDHI-CADBVGFASA-N 453.609 1.664 30 10 JDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1539104675 OEBDROUHPQPEHJ-UHFFFAOYSA-N 454.560 1.738 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1539201081 VNRHYZFTGZTYEZ-KKSFZXQISA-N 477.612 1.110 30 10 JDEE C#CCN(c1nnc(C(C)C)n1Cc1cccnc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539203771 UZZNRUJXUAFPOO-LJQANCHMSA-N 458.588 1.308 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1539206517 QNQUKFPJRKKXCU-AKHDSKFASA-N 492.573 1.724 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1539212714 RUJVWMNMPOBLJM-AVRDEDQJSA-N 462.572 1.368 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1539221564 QADYRIFVHGDOFC-IKGGRYGDSA-N 456.659 1.995 30 10 JDEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1539231810 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AOYQWULQJCOOOQ-QGZVFWFLSA-N 456.568 1.652 30 10 JDEE COCCNC(=O)[C@@H]1CN(S(C)(=O)=O)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548376072 JXECEWBJJXZCGS-SFHVURJKSA-N 488.532 1.818 30 10 JDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1=O 1554361196 GJSLNYDIIXEALA-KRWDZBQOSA-N 463.464 1.358 30 10 JDEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCc2ccc(C(=O)NO)cc2)cc1 1556382081 SZVSGKKKCSBXDQ-HXUWFJFHSA-N 459.524 1.868 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@@]2(O)CCSC2)c1 1587689507 JKIDCCRHYCLEQL-BJKOFHAPSA-N 485.610 1.854 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1OCCN(C)C)[C@H]1CCS(=O)(=O)C1 1588050366 RWMSUIHNLZXPLT-NRFANRHFSA-N 497.625 1.294 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1588128504 MREJJKLRECFGRS-GOSISDBHSA-N 478.578 1.715 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccccc1C 1588139105 LTWNEAQHDMIPGA-OAQYLSRUSA-N 471.583 1.461 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@@H]2C)CC1 1588908041 KGCQRRQGIAWDOF-IBGZPJMESA-N 461.570 1.503 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2nccn2C(F)F)CC1 1588961675 IFZWGUODNZRXGC-UHFFFAOYSA-N 460.489 1.006 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2OC)CC1 1588984997 NGZBOYDQLAKXJW-KRWDZBQOSA-N 478.644 1.590 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1589070117 QTZXPHAQAXOHQI-KRWDZBQOSA-N 452.606 1.107 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1589548378 YYIBHRYTJWYHDH-WWNBULGVSA-N 468.555 1.034 30 10 JDEE C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1589715100 CXMCFZWZQAKYLE-INIZCTEOSA-N 455.498 1.469 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCO[C@H](C)C2)CC1 1594241320 MIXFTQYUKIKKAF-NEWSRXKRSA-N 453.609 1.829 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1594626006 KEIODEIXHFXWHQ-HKBOAZHASA-N 496.678 1.514 30 10 JDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1595190753 GNMLARFHYBWJPT-QGZVFWFLSA-N 454.560 1.924 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1595334937 KKKXOMHWDJYOJC-UHFFFAOYSA-N 472.615 1.669 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1595497112 QFZABPRJEODUKL-INIZCTEOSA-N 476.603 1.501 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1596813087 FOFLCPMAYQIEPF-IERDGZPVSA-N 455.544 1.276 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)C1 1632014966 GDXLXYDIMHILLQ-PCCBWWKXSA-N 457.575 1.988 30 10 JDEE CC(=O)N1CCN(c2ccc(C(=O)N3CCc4c(sc(N)c4C#N)C3)cc2[N+](=O)[O-])CC1 1646251381 ZKOFTJMGPJAZGL-UHFFFAOYSA-N 454.512 1.977 30 10 JDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1 1652822153 QPVGFVLEKKHCFO-UHFFFAOYSA-N 451.508 1.083 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)N(C)C 1689853806 YRSPWGCXYCJQMX-YSIASYRMSA-N 460.604 1.372 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(n1)CCCC2)[C@H]1CCS(=O)(=O)C1 1689978219 PCOIJWAWCPBOTC-IBGZPJMESA-N 470.599 1.365 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689991093 VRBRASYQXYCFNF-PKOBYXMFSA-N 463.604 1.248 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2Cc2nncn2C)CC1 1690140175 PBBSBGZUSCAGMR-UHFFFAOYSA-N 492.584 1.885 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@]2(O)CCN(C)C2)CC1 1690152492 NEJBYPPKRQVSKG-AREMUKBSSA-N 496.612 1.288 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1690485378 RMEBFKIWEPDHPC-RXVVDRJESA-N 479.607 1.063 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CC)C[C@@H]1CCCO1 1690661861 JMOBFSPXLYWGCM-KRWDZBQOSA-N 475.619 1.854 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](C(=O)OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690677483 XVZPBBQVKDDMQU-ZACQAIPSSA-N 476.578 1.740 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2cccs2)C1 1690700916 ZNPAGHQAQUWLNJ-CVEARBPZSA-N 465.601 1.453 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1690725063 DMKHNBOIUVKEFZ-WZONZLPQSA-N 476.599 1.863 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N(C)C(=O)OCC)CC1 1690728895 AIXMJFLXKSZIMA-UHFFFAOYSA-N 493.634 1.798 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1690728978 CHBTUDLCFAHGPX-OAHLLOKOSA-N 451.524 1.264 30 10 JDEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCNS(C)(=O)=O)cc1 1691045340 CESJRZFMGQCEOD-SFHVURJKSA-N 462.576 1.433 30 10 JDEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CCC1(O)CCOCC1 1696841795 DRYZMVGHLNXQBA-UHFFFAOYSA-N 463.560 1.141 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC(=O)N(CCOC)C1 1705575563 OPJLIGPAABLHPZ-OAHLLOKOSA-N 459.348 1.603 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCCS1(=O)=O 1705622662 OYHHYMMKWILYAS-UHFFFAOYSA-N 471.381 1.157 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nccc(C(F)(F)F)n1 1705628399 FRXANJMJVRBCKJ-AWEZNQCLSA-N 472.493 1.318 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCn2ccnc21 1705716702 SFOHFIMRNPCCBS-ROUUACIJSA-N 463.608 1.788 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC[C@H](COC)C1 1705896538 PZQYDIUWEQAWSE-SFHVURJKSA-N 490.630 1.751 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C(F)(F)F)C1 1705899085 HTTGEAZBYOVCQW-MRXNPFEDSA-N 453.421 1.786 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@]3(CCCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1705939040 QKLGKWZEVAUEJB-VLCRHTCISA-N 484.619 1.305 30 10 JDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705944060 UCGVSUAASLLUDL-UHFFFAOYSA-N 482.632 1.785 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N(CCC#N)CC3CC3)n2CC2(O)CCCC2)C1 1712705862 DSDRCMVTBGNYAC-QGZVFWFLSA-N 452.581 1.046 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)N2CCN(CC)CC2)c1 1722308447 ACNWZOUMQMNDBW-KNQAVFIVSA-N 492.628 1.311 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722359222 JUCURSPRVVEVTR-MOPGFXCFSA-N 466.567 1.358 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CCNS(=O)(=O)Cc1ccon1 1722378027 KTOCPSDLGUMOEW-UHFFFAOYSA-N 475.534 1.674 30 10 JDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722387776 YQUNXAVHFHVNPZ-RTWAWAEBSA-N 469.615 1.417 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCNC(=O)[C@@H](C)CCC)CC1 1722435164 CMJFXNAUTINKKG-SFHVURJKSA-N 452.559 1.981 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1722440416 INGKOLTYFANFFV-UHFFFAOYSA-N 478.576 1.772 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCN2CCOC[C@H]2C)CC1 1722440552 BAQSAIQZNRHQET-HXUWFJFHSA-N 454.575 1.342 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C1OCCO1 1722681910 VLYSHTMQWPVFDC-GOSISDBHSA-N 462.572 1.913 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1722697746 OJOZFXKPXXMTDZ-UHFFFAOYSA-N 469.571 1.424 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1722729414 KDPKXDYNRXHASV-FQEVSTJZSA-N 471.587 1.659 30 10 JDEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)C)C1 1722831514 AVVKPQBQPGZFGH-FQEVSTJZSA-N 467.574 1.853 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Cl)ccc1OC 1740686828 XCEUNHMNKDOOKQ-IBGZPJMESA-N 498.005 1.407 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@](C)(O)CCOC)CC1 1740694640 PEYPJKOLXCIFBI-CJFMBICVSA-N 490.649 1.935 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N2CCNC2=O)CC1 1740710911 DHGCQAVVZYCCMZ-UHFFFAOYSA-N 488.639 1.709 30 10 JDEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740783746 UVMQBKKBRNKPFT-NRFANRHFSA-N 458.632 1.842 30 10 JDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(=O)NCC)CC1 1740874862 JNEOYHRHOJGDCH-UHFFFAOYSA-N 474.635 1.463 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(NC(=O)OC(C)(C)C)COC1 1740941073 AVALXZZXOOSLPD-MRXNPFEDSA-N 485.607 1.113 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1740954972 KBKSZPHLDWHBNH-HNNXBMFYSA-N 466.464 1.761 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1740962242 WTPOBNHIFFDIRW-UHFFFAOYSA-N 458.588 1.504 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1740990273 OMDXICKHLHZWQP-UHFFFAOYSA-N 456.576 1.757 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](c2ccccc2OC)C1 1740990806 FWNSDSISAQRZNO-WMZOPIPTSA-N 459.572 1.833 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)OC)CC1 1740993985 LJVYHOJDWXYQSM-UHFFFAOYSA-N 477.587 1.909 30 10 JDEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)c1 1742172334 CJWZCBPHSGTXOE-SFHVURJKSA-N 475.571 1.142 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)CCC)c1 1748692043 BZMFMOXLNKKMRD-JPYJTQIMSA-N 473.599 1.788 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1748752131 SHMVMVRPALRBKQ-JBACZVJFSA-N 473.599 1.991 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 1748817593 MXMSPZNKJWRVTR-WOJBJXKFSA-N 492.623 1.002 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1748818422 BHZYATSUDYSIPH-GCJKJVERSA-N 456.572 1.304 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1748820070 YMHOVMJTDTXNGG-IBGZPJMESA-N 490.655 1.663 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1c(CC)nn(C)c1CC)[C@@H]1CCS(=O)(=O)C1 1748820595 FJJAMFLRPJLWBN-LJQANCHMSA-N 498.657 1.673 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC 1748925654 KKEPZNZOYCXLGH-MRXNPFEDSA-N 454.597 1.401 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(F)cccc1F 1748965751 VSNDNBQAGKWQIL-LJQANCHMSA-N 483.541 1.218 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)Oc2cccc(F)c2)CC1 1749001175 KUSKIBZDKXHUEB-KRWDZBQOSA-N 470.549 1.989 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1749084266 VQIINNGAYWBFTG-CRAIPNDOSA-N 496.454 1.704 30 10 JDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1749452142 PBHZMMPLKRCKKN-UHFFFAOYSA-N 481.601 1.873 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1749650555 BDRVLSRIDMNUSZ-FQEVSTJZSA-N 481.479 1.757 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1749670822 WNOFUUJNIXFJBD-PKOBYXMFSA-N 492.577 1.046 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)OCC)CC1 1749726074 XECIVBWNHHKNKP-UHFFFAOYSA-N 493.586 1.842 30 10 JDEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CC1=O 1749857744 CXMLWLAADGVTQL-KRWDZBQOSA-N 451.531 1.013 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1OC 1760117475 PHAGXCOAKSYGQY-KSSFIOAISA-N 451.524 1.265 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1760183446 BJKSNEJHZYGWBA-HNNXBMFYSA-N 458.569 1.789 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760184225 HFBOXFSQNWIALZ-SFHVURJKSA-N 461.563 1.433 30 10 JDEE C#CCN(c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1760188104 HUEAELGWYNAPSR-KRWDZBQOSA-N 498.609 1.463 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760191509 ITLSTHQJKGETHA-ICSRJNTNSA-N 491.589 1.344 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c(F)cc(F)c(F)c2F)CC1 1760261456 LVMJXVRZUJXEPD-ZDUSSCGKSA-N 471.480 1.540 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC(C)C)nc2)CC1 1760270470 XZLKLLSMYWJMEJ-FQEVSTJZSA-N 452.559 1.978 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1760279868 ANAKNJXRDXXBJE-RTBURBONSA-N 477.660 1.672 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1760280527 GKEQDMVQTZEFEA-SJORKVTESA-N 489.614 1.849 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC(=O)N(C)C)c1 1760290074 VQFSRFLPCYOFFC-UZUQRXQVSA-N 488.614 1.396 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)(F)F 1760306115 CBDSMSXYKHSROX-NSHDSACASA-N 476.319 1.908 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1760314736 YMHIZLDKIWSOBE-QUCCMNQESA-N 484.605 1.831 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760447002 IFLRZDBGWZHXHW-GOSISDBHSA-N 489.602 1.002 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(C(N)=O)CCOCC1 1760499408 XQVKLOPIEIQEFM-IBGZPJMESA-N 452.559 1.746 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ncc(Cl)n1C 1760517043 AQUKQQSLBMILBV-UHFFFAOYSA-N 477.978 1.674 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccccc1F 1760522279 PVIVNXMDRGZQKF-CRAIPNDOSA-N 480.566 1.250 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1760554223 WIOMKMUKHGEHFF-JOCHJYFZSA-N 471.587 1.735 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@H]2CCCCO2)CC1 1760620131 GHFSLJAKLUCOSW-JOCHJYFZSA-N 451.575 1.986 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCN(C)C1 1769818700 CAHHRLUOUMUKKG-XMMPIXPASA-N 467.574 1.105 30 10 JDEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 1862633229 IDJWQDSMBXVXKJ-OAQYLSRUSA-N 497.460 1.940 30 10 JDEE N#Cc1nnn(-c2ccc(Cl)cc2)c1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155358 IZIQUYVWXULJHT-UHFFFAOYSA-N 451.786 1.935 30 10 JDEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871564187 ZJIMZTCSOFTWGJ-UHFFFAOYSA-N 485.589 1.407 30 10 JDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2180973486 ZAXFTWQQZILWSG-MRXNPFEDSA-N 463.315 1.799 30 10 JDEE Cc1nc(S(=O)(=O)NC[C@H](C)N(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2267466496 BIPKUODZKPQCAI-ZDUSSCGKSA-N 472.417 1.561 30 10 JDEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2267674013 TYGIMIYVIFSDNC-QFIPXVFZSA-N 450.341 1.697 30 10 JDEE CO[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2268710691 IJTHJEKKSNZSNS-DZGCQCFKSA-N 450.345 1.951 30 10 JDEE Cc1c(C(=O)N2CC[C@H](NC(=O)C(F)(F)F)C[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281976337 AAPQNJIDMUQWOV-AAEUAGOBSA-N 458.290 1.699 30 10 JDEE Cc1nn(C)c(C(=O)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281980477 BVPMHHZPYUJMIL-OAHLLOKOSA-N 464.372 1.393 30 10 JDEE CCc1nn(C)c(C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281988360 LCIAKGGFFCBDGW-QFIPXVFZSA-N 466.388 1.287 30 10 JDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)n1C 2282513143 YEIHNJKMYSVQOS-GJZGRUSLSA-N 482.412 1.410 30 10 JDEE Cn1cc(C(=O)Nc2cnn(CCNC(=O)OC(C)(C)C)c2)nc1B1OC(C)(C)C(C)(C)O1 2282548928 CEFCFNZLSHPBKB-UHFFFAOYSA-N 460.344 1.693 30 10 JDEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N2CCC(NC(=O)C(F)(F)F)CC2)OC1(C)C 2286115376 XEUXKWKZWOMVPH-UHFFFAOYSA-N 480.289 1.957 30 10 JDEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2364942464 QQBQMOHBMRSEJJ-QFIPXVFZSA-N 468.331 1.836 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OCC(=C)C)c2)c(=O)n1C[C@@H]1CCCO1 489101908 SESMRGRVYXIODZ-IBGZPJMESA-N 495.601 1.858 30 10 JDEE CON[N+](=O)CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 585088912 KGOZGFGCQUATCE-LJQANCHMSA-N 464.480 1.280 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1-c1ccccc1C#N 604002708 KXTQXVNHMKARPT-UHFFFAOYSA-N 456.483 1.305 30 10 JDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1Cc1ccccc1 613076171 NYVUTBTYLJEMCU-UHFFFAOYSA-N 495.557 1.302 30 10 JDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 922219093 HJGXODOTJLITFZ-KUVPCWQVSA-N 451.479 1.681 30 10 JDEE Nn1c(NN=Cc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 1083902607 AQJIXIBDLAAXIT-UHFFFAOYSA-N 470.471 1.848 30 10 JDEE CCSc1nnc(NC(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)s1 1084246499 YOZHHXNJSKMDJZ-UHFFFAOYSA-N 451.563 1.838 30 10 JDEE C#CCO[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F 1124144068 MLIFPPZMCVBOPR-CYBMUJFWSA-N 450.435 1.625 30 10 JDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(OCCOC)CCOCC1 1286369268 JWGYXZIMOBITEA-UHFFFAOYSA-N 466.542 1.474 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1286381465 MQBOKWBDYOVCSI-IEGUWTFLSA-N 486.598 1.900 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCCN1CCN(c2ccncc2)CC1)[C@H]1CCS(=O)(=O)C1 1286392906 HYSRIYYGUIXDHB-QHCPKHFHSA-N 499.685 1.711 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1286394107 GVLXTKIDOOFIGW-AEFFLSMTSA-N 496.586 1.058 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1286395661 SEYNRYXKDIWKOU-QUCCMNQESA-N 458.584 1.931 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1286475248 ULXOIDWIVCPYQF-HXUWFJFHSA-N 473.503 1.835 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(OCC(N)=O)c2)CC1 1286489839 FXIGKPXLZFJSSQ-UHFFFAOYSA-N 475.553 1.162 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1286490198 IFSJTUWHADKHQU-SFHVURJKSA-N 468.524 1.775 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1286512240 TXDBTYARRNEFBS-INIZCTEOSA-N 459.576 1.851 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)CC1 1286796254 RHSGQKHDJMGGJK-INIZCTEOSA-N 478.575 1.390 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OC)C1 1286799522 WOFRKIRPAOMQRD-QUCCMNQESA-N 477.587 1.449 30 10 JDEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1CCS(=O)(=O)CC1 1291599193 HCNSZPFIPMSNKB-INIZCTEOSA-N 474.635 1.857 30 10 JDEE CCN1CCN([C@@H]2CCN(c3nnc(COc4ccc(C#N)cc4)n3CCC(=O)NC)C2)CC1 1296181672 AXLFUMHKDDTMRR-HXUWFJFHSA-N 466.590 1.081 30 10 JDEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CC1 1296205895 FJGLIEQJQDIRMQ-JOCHJYFZSA-N 485.658 1.858 30 10 JDEE CN(C)S(=O)(=O)c1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](C#N)C1 1298096470 APDNPDSJEWAJNS-ROUUACIJSA-N 460.560 1.547 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1300332417 FGTRPZGCELHFRH-IBGZPJMESA-N 463.542 1.980 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1COc2ccccc21)[C@H]1CCS(=O)(=O)C1 1300479813 SJVREMVAAOCEMO-IRXDYDNUSA-N 457.556 1.219 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 1300479871 UAOYTJBPCNJVEV-LJQANCHMSA-N 459.572 1.238 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1300505531 CJXUXZYMYOYKDW-KGYLXKDPSA-N 480.631 1.570 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)c1cccs1 1300527905 MFLSHZOGBCNPLY-UHFFFAOYSA-N 481.607 1.803 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1300618283 CYRTUYSTYTWKBT-QGZVFWFLSA-N 483.598 1.558 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC(=O)NCCC)CC1 1300726498 MZASTFSNQGDNQR-UHFFFAOYSA-N 452.559 1.370 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@]2(O)CCN(C)C2)CC1 1300731468 FYTWILYSNGTUEV-VWLOTQADSA-N 498.653 1.611 30 10 JDEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1301164200 QIVJKRWMGJBAEL-FQEVSTJZSA-N 472.615 1.956 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cc(C)on2)CC1 1301187806 CEQRVGSVXRGULF-FQEVSTJZSA-N 493.634 1.586 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1301498978 VTJXLRILLZSJPI-MRXNPFEDSA-N 461.567 1.367 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCN(C(C)=O)CC1 1301588529 GLMXODLWPVSMDG-FQEVSTJZSA-N 475.571 1.450 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC(C)(F)F 1303859068 HWAAIDMHUUCGAI-CQSZACIVSA-N 468.534 1.527 30 10 JDEE CNC(=O)C(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1314943728 DPHPXVAQXOMDIN-UHFFFAOYSA-N 476.589 1.505 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(C)COCCO1 1358895547 LNXWBWMUNVSVMX-OFVILXPXSA-N 452.603 1.906 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(=O)NCC)CCC1 1358949929 RRTSWXKSFXHAPI-KRWDZBQOSA-N 460.579 1.962 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1358966165 JBJKGVYRYWAYBS-WOJBJXKFSA-N 460.604 1.726 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCN(C)C(C)(C)C1 1358993727 VOSXUAISPHWVGK-UHFFFAOYSA-N 489.672 1.941 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OCCC 1359010162 INZKNRBUFPVGQW-GOSISDBHSA-N 462.576 1.303 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1359038439 WJOKWQIAFJYWGT-UHFFFAOYSA-N 499.641 1.892 30 10 JDEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359049490 QFEHSHASXMIVPD-JKSUJKDBSA-N 472.546 1.071 30 10 JDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1359122543 ZWSMHLVRJSKVPX-SFHVURJKSA-N 477.610 1.421 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCN(C)C(C)(C)C2)CC1 1359179603 ZFDIAZRNLZVHIF-FQEVSTJZSA-N 495.694 1.039 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnnn1C 1359254793 CXGPNEMHGYLJNH-QGZVFWFLSA-N 457.560 1.558 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1359302515 JSHJNZSGPDBION-UHFFFAOYSA-N 495.609 1.218 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1359302550 LBNCRNDZVXEEPF-XMMPIXPASA-N 465.558 1.665 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)N(C)C[C@@H]3C2)cc1 1359306627 MFWPHXLLSBUPAY-FUHWJXTLSA-N 489.602 1.057 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccsc2)C1 1359321484 HAKNXSLZLVNPOU-IRXDYDNUSA-N 453.590 1.502 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1359334293 ZRWRNGYZSJJNQD-UHFFFAOYSA-N 498.584 1.966 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H]3CCCN3C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1359335746 TVXOPEFSINNMNR-XQBPLPMBSA-N 467.636 1.592 30 10 JDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359338358 TUCZBEYTOAQNMV-KRWDZBQOSA-N 476.628 1.824 30 10 JDEE C#CCN(CC(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1)C(=O)OC(C)(C)C 1443566762 HKXSCBPXFVCHOL-KRWDZBQOSA-N 453.536 1.965 30 10 JDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1463956973 XPQCEDDKEUIUAS-KGLIPLIRSA-N 451.973 1.174 30 10 JDEE C[C@H](CC(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1464609775 CFPAOXYDIDNCIS-OAHLLOKOSA-N 452.577 1.236 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)CC1 1466031686 QTEKNPDWELRWCD-UHFFFAOYSA-N 457.343 1.796 30 10 JDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1503432630 CFSLZYRABZRWCP-INZIPBBXSA-N 479.628 1.899 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1507630195 UROVKOMNMICTFL-VGOFRKELSA-N 460.556 1.386 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCSc1nccs1 1507654097 VPUUVFVHZNYVMI-MRXNPFEDSA-N 480.641 1.323 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(OC)cc2)CC1 1507736021 JUYQNILHHFECPR-VWLOTQADSA-N 467.570 1.953 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1507739512 CAOWXRZVSDBLKH-BVZFJXPGSA-N 483.569 1.371 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2snnc2C)CC1 1507741475 UMHCTNMTHSYFDD-WMZOPIPTSA-N 459.576 1.176 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)C2CC2)CC1 1507778186 CDJWMBYFPMQEDL-ZDUSSCGKSA-N 475.413 1.246 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1507830743 WQPLLSJSMQPLKD-KRWDZBQOSA-N 481.648 1.587 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1507835877 OPWNFVCHZZZQKR-UHFFFAOYSA-N 450.547 1.700 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1507843722 RSIWPYBNOSTLEC-IBGZPJMESA-N 452.559 1.845 30 10 JDEE CCN(CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1)S(C)(=O)=O 1515714722 COMIDGSDDCTUIO-SFHVURJKSA-N 459.576 1.409 30 10 JDEE CN(C)[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CCSC1 1516997074 CYEAUDPFBQNUPQ-OAQYLSRUSA-N 476.628 1.401 30 10 JDEE COCC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1518963663 FCYMVWQOQATGRN-YKSBVNFPSA-N 468.558 1.936 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1539126534 XGRQWDQGJCCFMU-NFBKMPQASA-N 473.599 1.431 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1539200861 QOZIANQJNBPZLX-IEBWSBKVSA-N 489.573 1.747 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1539212345 VHOFRIFHCXXKGY-IAGOWNOFSA-N 464.519 1.328 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CCNC(=O)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1539225019 LGKQYXBATFRMRY-FQEVSTJZSA-N 455.584 1.596 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 1539229268 BGBKJEHEYHMBFZ-SFHVURJKSA-N 459.547 1.523 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CCO[C@@H]2C)n1 1539424661 VEMVTCLYZDXPGN-DVECYGJZSA-N 465.558 1.671 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(NC(=O)[C@H]3CCCO3)c2)CC1 1539427989 LHCIAPHESDREBH-OAQYLSRUSA-N 479.585 1.337 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1539434644 RJCLTLANUWKISM-HNNXBMFYSA-N 481.420 1.236 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)CN2CCCCC2)CC1 1539477434 MHSHLNCLIRXPCH-QUCCMNQESA-N 455.607 1.317 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1539488652 CSIWREIOOMKWQD-UHFFFAOYSA-N 470.574 1.982 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CC1(C(N)=O)CCOCC1 1540136619 JCBHAUNQWJEKRO-GOSISDBHSA-N 456.522 1.843 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC2(CC1)COC(=O)N2 1540864973 QNTWKYPAGIERAJ-UHFFFAOYSA-N 486.529 1.352 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1540872674 XIZNFNYKOBWHMX-UHFFFAOYSA-N 468.949 1.411 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)nnc1[C@@]1(OCC)CCOC1 1540876331 NYRRJHAMDSYUMB-UQBPGWFLSA-N 497.600 1.791 30 10 JDEE N#Cc1ccc(N2CCC3(CC2)CN(C(=O)CN2CCOCC2)C[C@@H]3CO)cc1C(F)(F)F 1548407031 ZWHRXTULOQUAOF-GOSISDBHSA-N 466.504 1.947 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccn2C)n1CC1(O)CCS(=O)(=O)CC1 1555544293 AEUKPWHTNJKDCU-UHFFFAOYSA-N 498.609 1.748 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccnc(Cl)n3)cc2)CC1 1562958291 OFTWTFXDJFHZSS-UHFFFAOYSA-N 450.908 1.539 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1588069440 OAYRXZBCNZWUKH-YKSBVNFPSA-N 487.626 1.167 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(NC(C)=O)cc1 1588647252 SOZVHKSPSNJKKJ-LJQANCHMSA-N 459.572 1.467 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CCS(=O)(=O)NC(C)C)CC1 1588791444 VAUYMBWBOAQSJQ-UHFFFAOYSA-N 467.599 1.576 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1594783355 ATCPHMOLUDOCEK-UHFFFAOYSA-N 474.591 1.813 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC2CCOCC2)C1 1595728516 CIAAYWFSYHGSRS-PMACEKPBSA-N 483.635 1.599 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2cscn2)CC1 1595798568 QQDOVDBPXXZCOS-GOSISDBHSA-N 466.633 1.899 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1595821923 DLHYFIXAXNRJGD-UXHICEINSA-N 457.600 1.627 30 10 JDEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1595831195 NIFNCZFRKYWTFX-INIZCTEOSA-N 493.611 1.821 30 10 JDEE Cc1nc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)cs1 1612421128 CGYWHMLUVRHRIT-MAUKXSAKSA-N 469.568 1.061 30 10 JDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)c1 1621672216 VEWCSDJEABCJAQ-UHFFFAOYSA-N 450.561 1.772 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C2CCCCCC2)CC1 1632965567 BBBVINGDVJWMBM-GOSISDBHSA-N 456.609 1.462 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](O)C[C@H]2c2n[nH]c(-c3ccccc3)n2)cc1 1636777764 QPXQKAXNBXEYLJ-MJGOQNOKSA-N 453.524 1.884 30 10 JDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)CC2)o1 1645257565 HOUJQHRFJAAYGT-NRFANRHFSA-N 451.506 1.525 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1672277850 MHSYZCVFBUXRKK-VQIMIIECSA-N 452.533 1.900 30 10 JDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1)[C@H]1CCCO1 1681811788 BEZUVTWQCQHMOL-IAGOWNOFSA-N 456.362 1.646 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1689930707 XWMVYXNFVMIPBN-HBMCJLEFSA-N 462.664 1.588 30 10 JDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1689977707 AZBJSDVTZQSAMG-RBUKOAKNSA-N 492.001 1.667 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1689984126 LPSGXWZJHLSOJI-SFHVURJKSA-N 460.556 1.506 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCC(=O)N1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1689991703 BHKPHSQTMFCCIH-OAQYLSRUSA-N 484.626 1.683 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1690123972 BLNMXBLSXTYJRS-AVRDEDQJSA-N 461.588 1.053 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1690130368 FGOMJLWQRNLLKX-UHFFFAOYSA-N 457.579 1.023 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)c2ncc(C)s2)CC1 1690135517 YPCHNYKBQNNYIP-OAHLLOKOSA-N 457.604 1.951 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H](C)N2CCCCC2)CC1 1690146386 MJGMWRBPXHSNNP-PZJWPPBQSA-N 490.674 1.411 30 10 JDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690159997 SYUBZSMZTYOPEQ-UHFFFAOYSA-N 464.573 1.691 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1690228700 CYJJQSMBMYJGHR-HZPDHXFCSA-N 486.436 1.831 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1690499867 CRYOOVNVSVSTQL-MJGOQNOKSA-N 459.572 1.656 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(CC(F)(F)F)CC1 1690527654 QVFWQCBNJCMUHP-INIZCTEOSA-N 480.557 1.508 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](Cn2cccn2)C1 1690675972 LJMONMDQGQYJTN-FQEVSTJZSA-N 465.558 1.878 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)C(F)(F)C21CC1 1690715982 ZEBSXRQFVPQZKG-CQSZACIVSA-N 493.602 1.505 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CCSC2)c1 1705505283 LAIHDUUWQMCUTO-HTAPYJJXSA-N 454.556 1.153 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cc(OC)nc2ccccc12)[C@H]1CCS(=O)(=O)C1 1705558641 DEBJGNBIKNSMLP-SFHVURJKSA-N 496.593 1.648 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1705559791 BKHPZKZUBLDWPT-NTKDMRAZSA-N 498.609 1.749 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705564465 OOKLYMSHWHTMFS-MJGOQNOKSA-N 454.556 1.863 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1ccc(C(N)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1705570822 RSYLHPABYHMVBU-LJQANCHMSA-N 494.577 1.046 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1Cc1nnn(C)n1 1705601752 UYTCYIJHSQPDKZ-UHFFFAOYSA-N 455.320 1.654 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1705647026 XKUWLXIGLJZTSL-VWLOTQADSA-N 450.587 1.540 30 10 JDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705654269 BHTJWPHWJCYNHA-SFHVURJKSA-N 458.613 1.949 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1705664298 MBGWBXRWQWWWPM-QHCPKHFHSA-N 492.653 1.855 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1705687679 HWAQDNVENOHFFW-JJRVBVJISA-N 461.382 1.473 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1705875802 GTNSWKMRWDDBDH-FCHUYYIVSA-N 471.627 1.974 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@H]2C1 1705909053 LJBCULUEPVXTOG-MSOLQXFVSA-N 475.594 1.173 30 10 JDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NC)CC1 1705913577 RUFZXSICYTUILL-UHFFFAOYSA-N 453.547 1.475 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nccc(C(F)F)n2)C1 1705925894 VSYJWLSWZFOSEZ-KGLIPLIRSA-N 454.503 1.737 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1705933076 TVSZWYPSOWLWSP-VGSWGCGISA-N 462.572 1.939 30 10 JDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1705943561 DUHWXIBRJRJXDT-QZTJIDSGSA-N 482.676 1.979 30 10 JDEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCc1ccc(S(N)(=O)=O)cc1 1706314686 GVGDWNYXYUEDSV-UHFFFAOYSA-N 480.598 1.885 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCNC(=O)OC(C)(C)C)c1 1722306771 DQIIYIHMEXTWHW-UHFFFAOYSA-N 495.584 1.981 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1722332294 HZMNGRFVJTXMLN-QGZVFWFLSA-N 457.556 1.262 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1722368055 YNBBAAWTQYWPOL-WMZHIEFXSA-N 474.583 1.310 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)nc1 1722387486 FRATYKLHNGOPLY-IBGZPJMESA-N 463.542 1.965 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCC(=O)N2)CC1 1722442868 FWZRSXQBABGBQO-LJQANCHMSA-N 480.569 1.597 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCN2CCC)CC1 1722443947 CYPYQLDLJIOGNO-UYAOXDASSA-N 493.678 1.119 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1722460855 ZXHJOHFJAZMUCU-MSOLQXFVSA-N 468.645 1.569 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)F 1722473136 PXFJKLIRYXYPMU-OYHNWAKOSA-N 482.532 1.960 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722509388 OXMVOUMAWBMUKM-OFNKIYASSA-N 460.623 1.439 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1722691340 QCFJHPZTMGPZNT-MKBNYLNASA-N 465.407 1.211 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1722729931 BNQQSLVNTCYPFD-QGZVFWFLSA-N 491.618 1.892 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1722749622 HIYGSZDSHHECEH-MRXNPFEDSA-N 456.590 1.851 30 10 JDEE Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1726429038 CYOBAPSVBFFZJP-UHFFFAOYSA-N 473.559 1.861 30 10 JDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOC2=O)CCO1 1730609682 HALVPQMHEFCFTR-LJQANCHMSA-N 456.503 1.423 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740546805 LBIWAIGCTLEPHB-ROUUACIJSA-N 497.625 1.975 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)C(=O)OC(C)(C)C 1740552468 OACQGVMGVUMOQM-IRXDYDNUSA-N 484.623 1.326 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1740567474 ROIIEOYNTKFOCL-KRWDZBQOSA-N 463.608 1.619 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1740645050 DKGXQZVTGDFUQE-LQTLECTNSA-N 493.568 1.949 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCC2=O)cc1 1740645904 NFAPXXNAOMVNKI-LJQANCHMSA-N 482.610 1.522 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCN2CCC(O)CC2)CC1 1740692089 GSWXOTQAQANDCM-UHFFFAOYSA-N 468.602 1.564 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccco1 1740732271 XMVGCJPDVKMUKH-DQLDELGASA-N 463.560 1.104 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](NC(C)=O)C1 1740958969 XZIHKZOFOIQVBT-MOPGFXCFSA-N 489.621 1.800 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2CCCC[C@@H]2C1 1740988048 RRIGVMIPDCXAAJ-LJQANCHMSA-N 493.655 1.624 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1740988347 BHFZUYHUBFMOJI-MRXNPFEDSA-N 466.995 1.947 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(N(C)C)c1 1741802274 HROUNZYHUMUJMR-LPHOPBHVSA-N 461.592 1.464 30 10 JDEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)COC)CC2)CC1 1746433542 DWBJJXGBBHNDND-HXUWFJFHSA-N 480.617 1.138 30 10 JDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1748760216 VWNKPJZFHNGRIT-UHFFFAOYSA-N 461.570 1.887 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1748808700 GEZNRTPIBYVLJA-ZHRRBRCNSA-N 492.001 1.712 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1c(C)nc2ccccc21 1748826370 SVNOCCVWKCOVCE-QGZVFWFLSA-N 453.572 1.710 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(OC)CCOC1 1748831011 DFHTVTSNVXYOJH-JOCHJYFZSA-N 457.556 1.074 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1c[nH]c2ccccc12 1748858114 MTJJGMMUOLPGHB-JOCHJYFZSA-N 480.594 1.798 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC1CCOCC1 1748892998 ZYPJGIMRCNTTPN-HXUWFJFHSA-N 463.604 1.281 30 10 JDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1748969213 QQMZVQDYTIRVRA-GOSISDBHSA-N 460.579 1.886 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1748984388 QSEVLLGVQDSBGJ-UHFFFAOYSA-N 466.567 1.578 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(N(CC)CC)nc2)CC1 1749010847 XYKAVJNZDFUAOJ-FQEVSTJZSA-N 478.601 1.485 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@](C)(O)CCOC)CC1 1749010955 SUESVHHPLMHDGY-XMMPIXPASA-N 469.542 1.427 30 10 JDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749039834 CPRHIJUNDDNERA-IBGZPJMESA-N 453.572 1.397 30 10 JDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(NS(=O)(=O)CC)CC1 1749633835 OXNICJCZHLYZFY-UHFFFAOYSA-N 471.587 1.769 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749651651 ZUGLUUZKTAINQH-FOIQADDNSA-N 499.547 1.626 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1749671732 HIRAWUJOYMREKB-KRWDZBQOSA-N 471.512 1.860 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccnc1-n1cccn1)[C@H]1CCS(=O)(=O)C1 1760182523 JVGIVMLMPFNIDO-SFHVURJKSA-N 453.572 1.831 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1760191562 JNSZORPQPRHATM-FQEVSTJZSA-N 483.598 1.554 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCC(=O)N1CCOCC1 1760211614 JCSQFPSHZBJISP-UHFFFAOYSA-N 473.375 1.758 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(OC)c1 1760219829 PJVZHXVZOUDKPI-NRFANRHFSA-N 471.583 1.325 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2conc2COC)CC1 1760266130 QMGADNCLVZIOQP-QHCPKHFHSA-N 472.546 1.079 30 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C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC(C)(C)C1 1286408585 DRLKCZZPFWRMTH-HXUWFJFHSA-N 486.617 1.770 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)NC(C)C)cc1 1286420336 OUGRUEQAPMNTFZ-GOSISDBHSA-N 485.614 1.929 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1286592554 KUKZSMHDFYZHTE-RXVVDRJESA-N 490.630 1.911 30 10 JDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1286769194 WRDKMZYMUGVHME-BBRMVZONSA-N 451.528 1.614 30 10 JDEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1286770402 DIDKBVICBUKNCV-MRXNPFEDSA-N 453.540 1.838 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCNC(C)=O)Cc1ccsc1 1286776087 CDFPTQVIZFBENC-QGZVFWFLSA-N 468.605 1.001 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1286786929 MEBZRTRJKJJHFJ-UHFFFAOYSA-N 462.514 1.496 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1286788982 MAHFWZABPGGMLL-SFHVURJKSA-N 479.589 1.956 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1286815525 WOVRTVLRTRCWJJ-LPHOPBHVSA-N 450.561 1.795 30 10 JDEE CN(C)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1)c1ccco1 1298023738 FUXPYTCIZXDWBF-HKUYNNGSSA-N 470.555 1.973 30 10 JDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1300357007 GXKZEGVORCNVOK-UXHICEINSA-N 455.607 1.556 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1300478855 DHKFFIVZZXZKNB-SFHVURJKSA-N 490.655 1.988 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1300504006 IBFUJJDKCDHTFU-WOJBJXKFSA-N 469.567 1.782 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1300505552 CPTDSHOMHCCZHD-ACRUOGEOSA-N 458.584 1.986 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCN(C)[C@@H](C)CC)CC1 1300698239 QEQYRFYLSAUGCG-IBGZPJMESA-N 462.602 1.678 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1300703180 BCILMSGBUFOPIP-HSZRJFAPSA-N 493.656 1.575 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@H]1C 1300883375 AHRBXLDNMDADIO-YRXWBPOGSA-N 483.635 1.596 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1301065630 HXFPYPGXRFVTHL-INIZCTEOSA-N 467.617 1.638 30 10 JDEE CC(=O)N1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)C1 1301677731 HTQUNWNNCHVDKC-OAQYLSRUSA-N 451.575 1.844 30 10 JDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1315000600 DUFASRBUVHCAOK-QGZVFWFLSA-N 456.572 1.604 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1358965328 SKKWCEJKZJVYGB-IBGZPJMESA-N 497.625 1.306 30 10 JDEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1358967028 BVHGFXWORCGJJO-WMZHIEFXSA-N 489.667 1.572 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(CS(C)(=O)=O)CC1 1358976586 JMEGTFPKNNVNJI-UHFFFAOYSA-N 478.578 1.573 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCC[C@@H]1C 1359019732 FJIRIGHYXDIFAJ-MBSDFSHPSA-N 475.615 1.833 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(CC)C(=O)C1 1359128122 KJMVNNVAGAEIFT-UHFFFAOYSA-N 461.588 2.000 30 10 JDEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1359216617 ZGQBRHRIGIFRFZ-LJQANCHMSA-N 474.635 1.936 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Br)s1 1359298687 IVOQTSVXYHITNS-LBPRGKRZSA-N 453.366 1.992 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CCOC)C(=O)C1 1359328539 HKCBFHOUHUJOPL-UHFFFAOYSA-N 467.979 1.494 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1359331863 JOBZAJMALMNNPT-ZWKOTPCHSA-N 450.565 1.432 30 10 JDEE CC[C@@H]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1499451240 GOYJJUFFULNHJO-WOCWXWTJSA-N 454.572 1.879 30 10 JDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCCN2S(C)(=O)=O)CCOC1 1502676197 FRKFGWHMHMVIDX-WIYYLYMNSA-N 466.608 1.484 30 10 JDEE CN(C)[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1)C1CC1 1503378513 BWROSSPGXZOKGM-DENIHFKCSA-N 475.594 1.978 30 10 JDEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2OC)C1 1503760170 DMWSIBDWIQVSMM-ZVDOUQERSA-N 468.558 1.743 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCOCC1(C)C 1507530098 VXHRBUOONCBSCJ-QGZVFWFLSA-N 459.620 1.807 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1507555698 AVNQOLPYEFGKQY-QGZVFWFLSA-N 475.575 1.927 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507630231 VHCCLDLUTPERLD-LJQANCHMSA-N 468.583 1.606 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1507635616 XVMWGWAMHJDNFY-FCHUYYIVSA-N 489.617 1.482 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNS(=O)(=O)CC 1507650473 LDTFJOCXNRZXCZ-GOSISDBHSA-N 478.619 1.405 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)c1ccco1 1507710483 PHFRVQGYWYGMNR-XMMPIXPASA-N 462.510 1.779 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2cnn(CCOC)c2)CC1 1507723011 QTMFFTREGMFZMX-UHFFFAOYSA-N 465.558 1.609 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2cccnc2N2CCOCC2)CC1 1507733940 OKLJQTLWIYVVQY-UHFFFAOYSA-N 465.602 1.821 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)CN2CCOCC2)CC1 1507734973 GENPAJHZIXKRBG-HXUWFJFHSA-N 480.613 1.888 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C(=O)OC(C)(C)C 1507820418 CVKGEAJKWIJFSI-QGZVFWFLSA-N 486.639 1.880 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1508080737 DSQCXTCQQXYFJQ-BGYRXZFFSA-N 452.607 1.637 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1508136732 VLRVAVMAQIOUMZ-QFIPXVFZSA-N 490.586 1.755 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1508141787 ONFCRYHIVBIKIO-FQEVSTJZSA-N 480.679 1.378 30 10 JDEE Cn1cc(C#N)c(NC(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)n1 1515108115 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C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1539434710 UEDXWDQAVXJURE-INIZCTEOSA-N 490.406 1.286 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(OC)c(OC)c(OC)c1 1539538123 CWPGMVQIHMSOTO-OYHNWAKOSA-N 477.587 1.955 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C)CC1 1539631491 LEZYYFRDFPLISG-QYZOEREBSA-N 451.593 1.749 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1539704589 FNMWEBYFZHIBRY-NRFANRHFSA-N 490.630 1.660 30 10 JDEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@H]2C1 1540037448 LNTFWGRASISZTQ-OALUTQOASA-N 490.605 1.990 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(SC)c1)C1CC1 1540107652 BZHZUMSWPBEQRC-QGZVFWFLSA-N 464.617 1.931 30 10 JDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1540853491 RXBQKFNGPQOJEG-QGZVFWFLSA-N 454.597 1.013 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1540862564 FFXDYKNLLIOZHG-CVEARBPZSA-N 481.648 1.135 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1540863066 OOLVYGJHYIOLLR-OPAMFIHVSA-N 477.562 1.874 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1540874902 VNSAHBQOQBTNDX-UHFFFAOYSA-N 476.541 1.650 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1540898711 RYZJWPIYXZKBMT-YZGWKJHDSA-N 494.639 1.811 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1540902310 GQNKLYRLYBKXOI-DLBZAZTESA-N 475.571 1.496 30 10 JDEE C[C@](O)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)c1ccco1 1541957105 HBWJVMJSYORRLK-UWJYYQICSA-N 478.575 1.242 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCSC1 1555544960 AGVUNDYUEAFFMT-HSZRJFAPSA-N 470.599 1.793 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ncccc2C)c1 1587683255 FUYKBXTVUXQPDH-KRWDZBQOSA-N 481.582 1.696 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1587808212 OBPWCHPBXZLFLD-QGZVFWFLSA-N 492.577 1.168 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1588034736 LDJGWQJAEMIQQQ-GOSISDBHSA-N 489.579 1.320 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCNC(=O)c1cc[nH]n1)[C@H]1CCS(=O)(=O)C1 1588046156 YLXSZKQVCLYNBT-HNNXBMFYSA-N 487.973 1.378 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1588049239 CRZZLDIVRQWHJQ-LJQANCHMSA-N 452.540 1.022 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1588053038 AGGCNWNECGYLCH-ZWKOTPCHSA-N 457.556 1.221 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCO[C@H]1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588068907 BVYYSUGUSPNVHI-CNNODRBYSA-N 491.658 1.869 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC(C)C 1588134293 WDSOAQBNMVGEEO-LJQANCHMSA-N 492.646 1.793 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1595556097 NSYGUTGJAOEYLJ-UHFFFAOYSA-N 481.022 1.733 30 10 JDEE CN(C[C@H]1CCCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1618096869 DZAUEGAIOZPMBT-DENIHFKCSA-N 475.571 1.284 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 1623782400 IOILKQBHPADJLL-UHFFFAOYSA-N 454.553 1.256 30 10 JDEE C#CCN1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)o3)CC2)CC1 1634016013 MGUGGUJMRROQGW-UHFFFAOYSA-N 451.545 1.025 30 10 JDEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c1=O 1640771586 DJLBJVOQDMIDMS-UHFFFAOYSA-N 454.527 1.885 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2CCCS(C)(=O)=O)c1 1689870628 UTOJRFYGBXGWHL-UHFFFAOYSA-N 498.565 1.497 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689988690 UNPWOHZWNLQGDC-OAQYLSRUSA-N 473.647 1.960 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1690001732 RAEZDUUYQZDSMJ-BZSNNMDCSA-N 478.619 1.607 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCc2nccnc2C)CC1 1690114984 NPHBLFLBGFJIMZ-UHFFFAOYSA-N 494.625 1.292 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cnccc2OC)CC1 1690132012 CYXPUGXQQJMANX-UHFFFAOYSA-N 451.556 1.477 30 10 JDEE C=CC1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCS(=O)(=O)NC)CC1 1690398814 HJESKQWJHSMNCT-UHFFFAOYSA-N 481.648 1.498 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2cncn2)CC1 1690432795 LZIGLUKGGBJVNM-LJQANCHMSA-N 492.650 1.721 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(O)CCS(=O)(=O)CC2)C1 1690688341 SXMNLMXSLIGNJK-PGRDOPGGSA-N 484.619 1.040 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccsc1 1690715585 ONDPWRVZBUWXFJ-GDBMZVCRSA-N 473.646 1.892 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1690725121 GKNLVBXSDMTXSE-ICSRJNTNSA-N 460.604 1.022 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(C(N)=O)CCOCC1 1691003387 GQSHPOWUNRRKIP-KRWDZBQOSA-N 467.578 1.330 30 10 JDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1705538503 RBCWSXFRVPWMFL-LEWJYISDSA-N 469.634 1.631 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccco1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705559265 WBSGKNLOVCJDQX-RTBURBONSA-N 488.614 1.473 30 10 JDEE C#CCN(c1nnc(CC)n1CCNc1nccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1705570231 LWBBMXXMBBUOSU-CYBMUJFWSA-N 457.482 1.388 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1CCS(=O)(=O)CC=C)[C@@H]1CCS(=O)(=O)C1 1705570756 UBUVRIQIUOZGCA-GOSISDBHSA-N 454.618 1.238 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)nn1C 1705582471 BOTYSKDAOPPJSY-IBGZPJMESA-N 453.547 1.750 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCN1CCCO 1705590729 UTPJLNDGWMQIHI-OAQYLSRUSA-N 497.669 1.856 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1705640822 HOHKFFINPMDEQN-UHFFFAOYSA-N 461.545 1.517 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCS(=O)(=O)CC)CC1 1705645653 ZLPRQVLIBONVFU-KRWDZBQOSA-N 491.589 1.958 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705705658 JZLJFAXAWMLJOX-IFMALSPDSA-N 498.632 1.294 30 10 JDEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705733958 YSJKYDLZQVCEHT-OAHLLOKOSA-N 479.368 1.992 30 10 JDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1705907731 VLCUDFQEKLGOJC-UHFFFAOYSA-N 499.641 1.834 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C(C)C)N2CCOCC2)C1 1705926229 ZTLZVPVNZRNKLV-XUVXKRRUSA-N 467.636 1.318 30 10 JDEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)CC1 1706044212 IFDUNJANOCOWKW-UHFFFAOYSA-N 451.575 1.892 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1722362934 PGNURDJXHHKXMH-GOSISDBHSA-N 498.609 1.988 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1722447793 PTUKRUITIHZQMP-SFHVURJKSA-N 490.029 1.923 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1722448567 DZCVYRBMJSXESA-JOCHJYFZSA-N 498.653 1.567 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722590457 DSNKFIALSIVAGG-GOSISDBHSA-N 477.635 1.937 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1722623532 HXMXESWWQNDSJJ-QGZVFWFLSA-N 476.603 1.455 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)N(C)C)c1 1722671700 BPPSMTGSFFNHMH-HXUWFJFHSA-N 488.614 1.540 30 10 JDEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCO[C@@H]1C 1722681776 SDQBTINJFULMSD-WZONZLPQSA-N 457.579 1.631 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1722692804 XHADYMXBLKCYMR-MRXNPFEDSA-N 463.583 1.412 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1722696234 FZRPCHSCNKJDCZ-UHFFFAOYSA-N 458.526 1.849 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1722697698 QBLJSHQXNBEJSY-MRXNPFEDSA-N 469.571 1.796 30 10 JDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722742945 LITMPMOWAZCAAX-UHFFFAOYSA-N 489.627 1.709 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1722750225 LXEJMJDVCHKHFE-HXUWFJFHSA-N 467.555 1.729 30 10 JDEE Cc1cccc(O[C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)c1 1724241684 DOAOFTILECNTTK-ZWCUEREDSA-N 492.577 1.829 30 10 JDEE C[C@H]1CCCN(C(C)(C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)C1 1726552590 HFOTTZRKOGHDQS-ICSRJNTNSA-N 493.678 1.861 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N(C)C)c1 1730763254 DGSDYKPFOVVVOZ-LJQANCHMSA-N 474.587 1.297 30 10 JDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C1 1730997833 HOULGEUNUSXMRZ-GOSISDBHSA-N 463.585 1.265 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCO[C@H]1CCOC1 1740539938 RYICZPXKWDWHTR-MJGOQNOKSA-N 461.588 1.849 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCC(O)CC2)c1 1740563892 ZVDYKNZHUMFCCT-NRFANRHFSA-N 479.585 1.132 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1740617324 PMIWCZBKDQGZEG-DYESRHJHSA-N 454.593 1.230 30 10 JDEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1740618121 CKGDRVDIMDZJJX-MRXNPFEDSA-N 490.387 1.511 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1740620318 DIRPCQVFONKFJH-OAQYLSRUSA-N 481.582 1.506 30 10 JDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cn(C2COC2)nn1 1740660200 KCFOUPRIJWYDQT-UHFFFAOYSA-N 454.922 1.532 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1740689664 YXSSARXUOVOAHY-UHFFFAOYSA-N 477.495 1.190 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2CCC(=O)NC)CC1 1740703088 FZHBWIXWNMZYFY-UHFFFAOYSA-N 473.375 1.810 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCC(=O)N(C)C)CC1 1740707195 SUNIAYTVLBTFCJ-UHFFFAOYSA-N 454.550 1.842 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(CNS(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1740768445 WBRFGHCMJSHSHP-ZRCGQRJVSA-N 497.662 1.677 30 10 JDEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1740860578 ISCMOKAVFYWXPI-UHFFFAOYSA-N 454.535 1.669 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccs2)CC1 1740876258 GACIZIQWCKSHKR-KRWDZBQOSA-N 466.633 1.965 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C2OCCO2)c1 1740932863 XNPLRWDKLHIAAY-HXUWFJFHSA-N 489.598 1.883 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](CN2CCCCC2)C1 1740951134 CTFCJHAHKDNABZ-GOSISDBHSA-N 452.563 1.540 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740961401 BCKKCVVLERRZOY-XXBNENTESA-N 497.619 1.689 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740987153 PSFKEOBQINKGQG-LBPRGKRZSA-N 471.381 1.303 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccccc1 1740991633 ATNZBZLWGCKTBS-FUHWJXTLSA-N 452.602 1.978 30 10 JDEE CC(=O)N1CCCN([C@H]2CN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(C#N)o3)C[C@@H]2C)CC1 1741038301 QNUPEEJGIKWOSP-UWJYYQICSA-N 482.589 1.308 30 10 JDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1747418762 HEEIDACXNZJBHT-UHFFFAOYSA-N 457.560 1.245 30 10 JDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1748723845 AOTFXQZRPPCADA-MRXNPFEDSA-N 481.586 1.605 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748804808 LNJRNDLWRFGXFM-LGVFNWMJSA-N 493.674 1.820 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1748811040 ALPWYPLEEHJUEF-SFHVURJKSA-N 482.566 1.840 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1748821639 RYPHIRNGERHHDR-IAGOWNOFSA-N 451.618 1.313 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)N2CCOCC2)CC1 1748999744 DQQDHULJEJCDBJ-RTWAWAEBSA-N 487.649 1.826 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC(=O)NCc2ccco2)CC1 1749019284 RLDVVEFJXHCSHY-UHFFFAOYSA-N 494.527 1.871 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(CC)CC)CC1 1749037350 BKCCROXIBVUMLQ-LJQANCHMSA-N 484.692 1.288 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(cccc2OC)C1 1749457983 UJIJKOICNLUPSL-NRFANRHFSA-N 491.614 1.775 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1749727563 XLRBIVOJYPWFBS-INIZCTEOSA-N 454.556 1.761 30 10 JDEE COCCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCOCC1 1749824124 AAMRMTOGHJFBLA-UHFFFAOYSA-N 463.560 1.257 30 10 JDEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1750000074 DCIVPXRQXIZXIR-HXUWFJFHSA-N 470.599 1.994 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)CCO1 1750012971 DLQBRWNCNJSKSW-IBGZPJMESA-N 454.922 1.708 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCC(F)(F)F 1760098541 UCUYVDJSONKOTF-CHWSQXEVSA-N 460.482 1.731 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1760147476 SRUFKRVQBDHFJW-QFIPXVFZSA-N 499.685 1.825 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](N1CCOCC1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1760182346 IVZKHHUPSPXBAG-CVEARBPZSA-N 477.553 1.465 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1760191194 CPPCXYCGDBTPJC-GOSISDBHSA-N 459.572 1.237 30 10 JDEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@H]1CC 1760357123 FATVZOMBDQRUOO-QZTJIDSGSA-N 478.594 1.894 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1760525025 QYMNCRNXNVIIAJ-UHFFFAOYSA-N 476.585 1.913 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1760550797 JNLMZVCAYBSSOG-SFHVURJKSA-N 474.587 1.595 30 10 JDEE CCN1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1765430094 AQBOZHHOKFFWII-DUXKGJEZSA-N 487.630 1.822 30 10 JDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H](CC)N1CCCC1 1766397546 AUOMNNJJGVFHOI-IBGZPJMESA-N 455.611 1.929 30 10 JDEE CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1766685869 HHIMLUGACUBSAY-INIZCTEOSA-N 484.561 1.896 30 10 JDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCNC(=O)Cc2cccc(F)c2)CCO1 1770750934 AKXDUBPKMDMRSI-GOSISDBHSA-N 497.556 1.496 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1772660041 LANSOENEVVYLSO-OAHLLOKOSA-N 489.019 1.831 30 10 JDEE C=CCN(CC=C)c1nc(=NCCCN2CCOCC2)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871712095 PCWTZQZGDOJTLP-UHFFFAOYSA-N 467.574 1.543 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2184064061 NULXQMUIONTHEY-BZSNNMDCSA-N 462.352 1.656 30 10 JDEE C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O)c1nscc1B1OC(C)(C)C(C)(C)O1 2256624181 KTOGUKVJENXELV-SLEUVZQESA-N 455.386 1.894 30 10 JDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC1(O)CN(C(=O)OC(C)(C)C)C1 2267122468 LOSYXCFIUFULFI-UHFFFAOYSA-N 467.397 1.852 30 10 JDEE CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267143616 KPAAEKUHDHYMMB-KBPBESRZSA-N 450.345 1.463 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)[C@H]2COC[C@@H]21 2267155629 WOQQHEOYNUSQIE-GJZGRUSLSA-N 465.381 1.903 30 10 JDEE CC(C)(C)OC(=O)NOCCNS(=O)(=O)c1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1 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JDEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CNC(C)=O)C2)CC1=O 1504900584 AMKFEBAPBKOLAF-LEWJYISDSA-N 479.585 1.664 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1507632313 ZBCGWFCMYOYNJF-HXUWFJFHSA-N 453.572 1.642 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCOCC1 1507649166 ZPVQMTOVALRCCL-IBGZPJMESA-N 459.554 1.233 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)C1CC1 1507653173 MFDZBJNTTNNODF-FCHUYYIVSA-N 467.595 1.878 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCOCC1(C)C 1507663308 WVSYQNKTFSKUNZ-UHFFFAOYSA-N 498.653 1.769 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1NC(=O)CC1(C)C 1507700124 OBCQNFJQYXDPAS-YJBOKZPZSA-N 476.578 1.582 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1507718480 DRGRBRVLAAOMFV-SANMLTNESA-N 480.613 1.872 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCNS(=O)(=O)CC)CC1 1507724037 DPEBHYHTXNRYDD-UHFFFAOYSA-N 450.996 1.217 30 10 JDEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1507758460 NAKOEMWECJHOTP-KRWDZBQOSA-N 498.675 1.798 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCCC)CC1 1507805305 MOVUARRHUXOREV-QRQLOZEOSA-N 482.651 1.612 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccsc2)CC1 1507837605 TWMCOCZQOLKECC-MRXNPFEDSA-N 482.632 1.505 30 10 JDEE C=C(C)COCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1507847562 AHCVABLBJGZHDU-FDDCHVKYSA-N 476.578 1.384 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2csc(C)n2)CC1 1507942175 BVMMPSXCRCQTEH-OAHLLOKOSA-N 453.638 1.942 30 10 JDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1508047262 ANVHDKBVLVFBMM-KRWDZBQOSA-N 475.619 1.397 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1508130209 GRXSHPDJGRNKAX-KRWDZBQOSA-N 498.650 1.853 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(CCC)C(=O)C1 1508135208 FSOXXLXSKXHXHA-UHFFFAOYSA-N 456.572 1.866 30 10 JDEE CC(C)(C)NC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1510289180 CDJVHDUKSWKKEV-IIBYNOLFSA-N 481.623 1.046 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCCO2)n1CCC(=O)N(C)C 1512363983 AJYLKVOYJVMEHR-SJLPKXTDSA-N 453.551 1.375 30 10 JDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)CC1 1513196684 HHCJZNANKGTTRE-USXNREEHSA-N 483.642 1.765 30 10 JDEE C=C(C)Cn1c(SCC(=O)NCC2CCN(S(C)(=O)=O)CC2)nnc1-c1ccco1 1520915669 OBBBFVPDLJICQX-UHFFFAOYSA-N 453.590 1.994 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCC(N4CCCC4=O)CC3)n2CC(=O)NCC(F)F)c1 1521074887 DGYQMMHXJYTTKW-UHFFFAOYSA-N 457.485 1.789 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1538965026 LWRTWQMHUGPJEI-BBRMVZONSA-N 457.922 1.308 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCNC(=O)OC(C)(C)C 1539015624 QJCPYENUUXKACF-IRXDYDNUSA-N 484.623 1.374 30 10 JDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1539066172 QCWDCTHDMUSTRF-ICSRJNTNSA-N 455.607 1.602 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1539206754 VTQBHMCQDXGNSJ-WMZOPIPTSA-N 489.573 1.710 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1539224013 BPNMEEQVBUDCLY-GOSISDBHSA-N 456.959 1.987 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCO[C@H]1CCCC[C@H]1C 1539370555 XHFDEEBHNAMSEY-QYZOEREBSA-N 453.609 1.666 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)[C@H](C)CCC)CC1 1539428916 YAOLAKDTRXUUFT-GOSISDBHSA-N 452.563 1.233 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2CCCCC2=O)CC1 1539482325 SIXNHCMIJAHYLB-FQEVSTJZSA-N 456.591 1.541 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1540004560 AYWHFDATOGFATC-PKOBYXMFSA-N 463.608 1.825 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1540858055 DYEGJOTZALBTFV-HXUWFJFHSA-N 460.604 1.428 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1540861711 DEPNOOJZBFKDHV-GOSISDBHSA-N 451.531 1.260 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)COC)CC1 1540866600 SWSCEGWZSOUAAD-UHFFFAOYSA-N 467.357 1.849 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(OC)c(O)c1 1540869602 RHIYJEKBFNUHQM-UHFFFAOYSA-N 454.487 1.659 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(OCC(N)=O)CC2)cc1 1540878026 LROJUHWBGDZHQS-SFHVURJKSA-N 489.598 1.264 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCOC[C@H]1C 1540901701 MIARNTUWYWLZEM-MRXNPFEDSA-N 472.571 1.501 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1540903833 HKJPKFZKYDNHNX-UHFFFAOYSA-N 476.603 1.922 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1540907097 LHQZRTDVNVYFHF-SFHVURJKSA-N 470.555 1.141 30 10 JDEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1540913519 WCPRPNLACPORIY-UHFFFAOYSA-N 475.600 1.899 30 10 JDEE CC(C)N1CCC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)CC1 1541618450 ICTDBUUGQXVZFT-UHFFFAOYSA-N 458.588 1.287 30 10 JDEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(C(N)=O)CCOCC1 1541968580 DPFPAAYXKUGHEA-MAUKXSAKSA-N 458.494 1.568 30 10 JDEE C#CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cn1 1568546636 PGBOHCJGQNIHJQ-UHFFFAOYSA-N 458.540 1.395 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2CCOC[C@H]2OC)c1 1587689627 NSVXZERFYYHAPE-WIYYLYMNSA-N 461.526 1.843 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1587765014 AFTXMFPOHYRYFF-RBUKOAKNSA-N 481.619 1.189 30 10 JDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1587878539 AAQRBWWOHWALTB-LJQANCHMSA-N 462.620 1.645 30 10 JDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1587922030 QCTPWPHJJVJHAO-WFXMLNOXSA-N 451.593 1.204 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1588034165 BKMZYXGCTMHPCA-MSOLQXFVSA-N 450.948 1.641 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588065355 XNJDRXBEDMJITD-JAXLGGSGSA-N 486.642 1.390 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1589149858 AODWNHVIMRDQNA-GPMSIDNRSA-N 492.568 1.534 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1594192173 FHNRXHSMKNDJQN-BZSNNMDCSA-N 454.641 1.790 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1C[C@]1(O)CCS(=O)(=O)C1 1595093545 FPRPXJFEOAFRKX-HSZRJFAPSA-N 464.551 1.954 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(C)cc1 1595550856 JATFRMUXHITIIT-PMACEKPBSA-N 488.614 1.563 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1595797107 DRXMPPLYFYFEOR-ROUUACIJSA-N 453.609 1.814 30 10 JDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1614023603 CBIMAPALNAIZPO-UHFFFAOYSA-N 469.594 1.948 30 10 JDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCN2CCCO)cc1 1619239386 BSNNPXULASXYIA-UNMCSNQZSA-N 454.575 1.647 30 10 JDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C[C@@H](C)O1 1619753348 BQIAVZNIYXDRFD-HIJOBJJASA-N 459.572 1.880 30 10 JDEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CC1 1620171590 FJWVEXNZEJJGBR-OAQYLSRUSA-N 487.630 1.182 30 10 JDEE CCOC(=O)[C@]1(COC)CCCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1634779483 BGVSOEBWJXUCKS-QVKFZJNVSA-N 451.545 1.322 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1=CCc2ccc(OC)cc21 1690001927 VLNSLOCRUBXCCO-QGZVFWFLSA-N 453.568 2.000 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1690013276 ITQDIUOOHXBSDS-UHFFFAOYSA-N 485.470 1.816 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(OC)c1)N(C)C 1690019725 QFMHGBOQFVDADE-CTNGQTDRSA-N 455.584 1.565 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(CC(F)(F)F)CC1 1690033261 UHUJLLGYDHAYOW-INIZCTEOSA-N 474.553 1.626 30 10 JDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690284517 FUPIGJJKXDVCBG-HNNXBMFYSA-N 467.621 1.332 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC)[C@H](C)C1 1690433012 QWLKNYOHHRZDBE-MSOLQXFVSA-N 454.641 1.744 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCC2)nc1 1690622290 MEDMVMBUVILYTJ-IBGZPJMESA-N 460.604 1.863 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690659293 OZYJZZWHFZPGED-GOSISDBHSA-N 466.546 1.005 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1690671437 WAXDGFUMNNTMLS-KBXCAEBGSA-N 497.980 1.853 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1690671499 XGFLXNSOWZMQMA-ZACQAIPSSA-N 490.561 1.809 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccc(S(C)(=O)=O)cc2)C1 1690696333 AMFSKYVWXWQTTG-HKUYNNGSSA-N 475.571 1.493 30 10 JDEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1=O 1692430509 FKJRTNHUUZMESH-HSZRJFAPSA-N 470.599 1.901 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(N(C)C)nc2)CC1 1692565126 DCFVJIIOHKMNGZ-UHFFFAOYSA-N 487.612 1.973 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCC(C)CC1 1705495019 JSIHZQVOJPHYKS-GBESFXJTSA-N 452.625 1.189 30 10 JDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCCN1CCC[C@H]1CO 1705549677 DUEBRXCHIUHIJQ-IBGZPJMESA-N 463.586 1.981 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1CC[C@H](C(F)F)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705559805 FWCLUMMICWCCQV-FGTMMUONSA-N 473.590 1.774 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1705620266 PGGSISLIYYPSTH-SFHVURJKSA-N 462.547 1.501 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](CC(C)C)N(C)C)CC1 1705636344 GNOPNNSZHWFBLF-JOCHJYFZSA-N 462.606 1.652 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCCN2CCCO)CC1 1705648844 ARFXEALDWGGFFR-NRFANRHFSA-N 480.613 1.766 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCOCC)CC1 1705685908 LLRWAOJYILJSRM-INIZCTEOSA-N 483.411 1.897 30 10 JDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1705821811 JDOXAEFWULSLET-PZJWPPBQSA-N 457.623 1.746 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnn(CC)c1 1705896356 JYXLUTNCRHILJK-UHFFFAOYSA-N 457.560 1.504 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705908186 KLULSSAXYUYONN-UHFFFAOYSA-N 481.557 1.242 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)cc1 1705910208 VJGABQRVHHAZJB-UHFFFAOYSA-N 490.630 1.890 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705931237 JTLDCWIRNZSUBJ-MRXNPFEDSA-N 464.569 1.915 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCn2nc(C)nc2C1 1705935297 MTHJJJMNINIWSJ-UHFFFAOYSA-N 463.514 1.668 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C1 1705960316 GDPGLXQGTAMFRJ-IBGZPJMESA-N 474.587 1.183 30 10 JDEE C#CCCCCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1722323365 SWTWGIWNTVLNPM-HSZRJFAPSA-N 460.579 1.308 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(F)(F)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722368297 PIMITMOOSBFQPS-SJORKVTESA-N 463.510 1.648 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(OCCOC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1722369416 YZHNRFFWKSUFTP-PMACEKPBSA-N 496.630 1.359 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1722372426 WNMRUGHZYFTSQS-IBGZPJMESA-N 499.618 1.437 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccnc(OC3CCCC3)c2)CC1 1722431721 NIEISZLNCRMSSP-SFHVURJKSA-N 487.630 1.408 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCCNS(C)(=O)=O)CC1 1722449631 WQHKVVZKLLTKOQ-UHFFFAOYSA-N 497.625 1.255 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OC)c1OC 1722473674 HBGQMGLCHMWSLN-WMZHIEFXSA-N 489.598 1.669 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1cccs1 1722474357 NVOOPRJWZQDUHC-HBGVWJBISA-N 479.628 1.572 30 10 JDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722619730 IXHJHYJAPNESEH-UHFFFAOYSA-N 452.606 1.754 30 10 JDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC(S(C)(=O)=O)CC1 1722624384 BYFPJZBOTOBGNR-UHFFFAOYSA-N 451.549 1.612 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCOCC1 1722664323 WRRACXNXITYUFZ-INIZCTEOSA-N 479.628 1.716 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCc2ccccc21 1722680899 CRUFBBRHJVLMOL-NZQKXSOJSA-N 491.614 1.084 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1722725000 BUUBGFGJSYFMIW-CQSZACIVSA-N 472.493 1.446 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1722727356 IASBHIBXYHVZBT-MRXNPFEDSA-N 469.608 1.876 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CC2(O)CCCCCC2)C1 1731012490 HTXKUJIAAQILDS-GOSISDBHSA-N 466.608 1.436 30 10 JDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1740601313 ZMNQHUHSJCKZEX-JOCHJYFZSA-N 461.588 1.687 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOC1CCOCC1 1740636975 KVORKYDQVTVYPC-UHFFFAOYSA-N 470.599 1.897 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCCS1(=O)=O 1740637663 HMUOHOXEPDFRFP-LJQANCHMSA-N 490.630 1.501 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccc(F)c1)N(C)C 1740671635 LGXVRYCKWCCIOS-PMACEKPBSA-N 478.594 1.513 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCNS(=O)(=O)CC)CC1 1740690757 MXOHDPPNCNCASX-KRWDZBQOSA-N 464.567 1.252 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)CN2CCOCC2)CC1 1740700717 ZOENMEZZUULKGB-YPAWHYETSA-N 458.651 1.920 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC[C@H](F)C2)CC1 1740706283 VEKCLWFNLDLWSJ-NXHRZFHOSA-N 451.568 1.284 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCS(=O)(=O)C(C)(C)C)CC1 1740706778 CEXNNWYMPPUCJE-UHFFFAOYSA-N 472.615 1.443 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOC(C)(C)C1 1740761590 OOGDJLRRBUDYMF-AABGKKOBSA-N 481.663 1.708 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCCC1=O)C1CC1 1740910017 GLNGLCSOALRZMA-IBGZPJMESA-N 480.635 1.559 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(N2CCCC2=O)CC1 1740964598 RHHPNFDHRHDOLZ-UHFFFAOYSA-N 456.522 1.890 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1740990850 HLIPVXBZZCUNCV-UHFFFAOYSA-N 461.636 1.982 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1740991745 CTELORLYMFMUHQ-CVEARBPZSA-N 478.587 1.653 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1740992857 OOQFGIUMMMGJPW-UHFFFAOYSA-N 496.593 1.533 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1740993823 DFGVCGZPRTWZAU-GOSISDBHSA-N 479.607 1.455 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC(C)(C)C(C)C)CC2)c1C#N 1742668528 CWKJYBQLGKYBCO-KRWDZBQOSA-N 491.666 1.811 30 10 JDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCN(C(C)C)CC1 1748105405 HJKVRBLLHVCIPA-GOSISDBHSA-N 453.591 1.870 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C)CCOCC2)c1 1748691764 MCGKMRFFZRTQBU-KRWDZBQOSA-N 488.614 1.761 30 10 JDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1748745960 ZUQGIGABHHQRIO-KRWDZBQOSA-N 474.612 1.278 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H](C2CCC2)C1 1749038620 VDEZYSKGMFGSOW-MOPGFXCFSA-N 483.660 1.230 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1749193837 RQTNMLQXUKMMOM-RTWAWAEBSA-N 474.631 1.898 30 10 JDEE C=C(C)Cn1c(N2CCN(CC(=O)NCc3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1749209399 WTWOKIIREXMMOA-VWLOTQADSA-N 468.602 1.945 30 10 JDEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CCOC)C(=O)C1 1749249454 GBVOBNAETFGXHE-UHFFFAOYSA-N 467.357 1.909 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2cccc(OC)c2)C1 1749707279 CYJMZKVUDBUULS-RBUKOAKNSA-N 454.531 1.449 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1749736551 KUAHSBKGPNUIHT-INIZCTEOSA-N 482.632 1.950 30 10 JDEE CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1752565807 HEKMUXXLTFYXLC-NVVBAYIOSA-N 456.547 1.477 30 10 JDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760129410 MLTJYQQLIYRQOS-UHFFFAOYSA-N 459.576 1.637 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCNC(=O)C1CCC1)[C@H]1CCS(=O)(=O)C1 1760189504 UXEIBSUKIYJIGD-RBUKOAKNSA-N 463.604 1.453 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1760252957 ZBAUWNVWUQZXNO-XMMPIXPASA-N 463.542 1.798 30 10 JDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760276377 BNJLKKYAOYVMAN-OAHLLOKOSA-N 455.009 1.878 30 10 JDEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1760438569 JNBXKAKCCNNZHW-OALUTQOASA-N 453.609 1.769 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1760480283 QKQWXMXMZCARES-FQEVSTJZSA-N 471.583 1.786 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1760519816 QMKKSEZNVZDKNL-FQEVSTJZSA-N 465.602 1.770 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1760521632 ZGOYGIMOBPZUMC-INIZCTEOSA-N 478.557 1.637 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1760525720 OPAXAMKTSFMHGK-QGZVFWFLSA-N 450.547 1.314 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H]1C 1760550620 DKVZLMKSYAMZQG-MRXNPFEDSA-N 467.617 1.785 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3ccccc3Br)nnc2N2CCO[C@@H](C#N)C2)CC1 1760621003 XJXHPEAIEKWKAE-KRWDZBQOSA-N 488.390 1.600 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1768264233 AGYLIGIQQUMRJO-UXHICEINSA-N 485.614 1.736 30 10 JDEE CS(=O)(=O)CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O)C1CC1 1771354511 ACIQQIDTDAVILT-LJQANCHMSA-N 477.612 1.797 30 10 JDEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(OCCCC)c(OCC)c1 1865722129 KJXYFGHAFJIVAS-SFHVURJKSA-N 484.553 1.658 30 10 JDEE N#Cc1cccc(NC(=O)[C@H](CO)NC(=O)c2cc(-c3cccs3)n([C@H]3CCS(=O)(=O)C3)n2)c1 1866833282 PVIKPSXTKMHKSP-WMZOPIPTSA-N 499.574 1.572 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2CN(C(=O)OCc3ccccc3)C2)n1 2247818330 YUBYEJUTCOWHSR-UHFFFAOYSA-N 455.324 1.113 30 10 JDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)c1 2267013974 RRKHOPJXIZPRJJ-CQSZACIVSA-N 450.341 1.610 30 10 JDEE Cc1csc(C(=O)NC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267152650 RZBJBPXISWSJIT-UHFFFAOYSA-N 465.381 1.560 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1O 2267167338 FAXVIGQTUNYAJG-MCIONIFRSA-N 467.397 1.836 30 10 JDEE C=CC1(NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN(C(=O)OC(C)(C)C)C1 2267371000 UJBWKQHRUHIRLR-UHFFFAOYSA-N 468.385 1.173 30 10 JDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2267526662 WADOOZZWDIVSCE-ZIAGYGMSSA-N 467.397 1.708 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](F)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267548300 FMUDRKUVHANQAT-LSDHHAIUSA-N 450.320 1.853 30 10 JDEE CN(C[C@H]1CCN1C(=O)OC(C)(C)C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267704501 OVUPNDOIFCHDME-CQSZACIVSA-N 470.401 1.349 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268640855 JZQNDAWLXTWTNZ-CQSZACIVSA-N 466.413 1.658 30 10 JDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268649672 FCRJVIUNHDKXJI-OAHLLOKOSA-N 466.413 1.610 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2273937059 PMUGEBUSXMGOQQ-QGZVFWFLSA-N 452.332 1.669 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 2282176019 ZWGKVRMPWIATIJ-CABCVRRESA-N 461.372 1.586 30 10 JDEE CC1(C)OB(c2ccc(C(=O)N3C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C3)s2)OC1(C)C 2282194742 DCDJKFGOPZSCAF-GHMZBOCLSA-N 475.298 1.042 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2282521205 WHWCQWAUYDJURE-XOYOTBSWSA-N 459.352 1.791 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@](O)(CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2282522180 HBUUDVDCOIPYRK-QHCPKHFHSA-N 461.368 1.873 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCCN1C(=O)C(F)(F)F 2282581195 DYCYXDMCGRESRK-ZDUSSCGKSA-N 458.290 1.701 30 10 JDEE CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2282601335 BXDPZAVXMXAUBF-DEOSSOPVSA-N 454.380 1.428 30 10 JDEE Cn1nc(C(=O)NC[C@@]23C[C@@H](CO2)N(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2282628146 MFDRPTVGABWRJF-RCDICMHDSA-N 462.356 1.228 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)n1 2282832253 MHAFGDXJJFTOGU-HNNXBMFYSA-N 484.428 1.643 30 10 JDEE CCn1c(N2CCN(C)CC2)c(C=C2SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 2314426342 YEDCAZYSPVVLOS-UHFFFAOYSA-N 461.613 1.648 30 10 JDEE CC(C)(C)OC(=O)N1CCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)[C@H](CC(N)=O)C1 2369254424 ZVTORWKSHKYVLH-MRXNPFEDSA-N 460.384 1.869 30 10 JDEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)c1O 21318894 BSIYXVRKOBPOBO-AWQFTUOYSA-N 458.460 1.791 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc2C1=O 26787319 SRYSTPFAYKVFKO-UHFFFAOYSA-N 468.535 1.657 30 10 JDEE CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OS(C)(=O)=O 32107042 LPVHBCBYCLTQLX-RCQJKQRMSA-N 477.535 1.892 30 10 JDEE CCOc1cccc([C@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)c1 72444425 IQEHVFLFGCIWII-DLBZAZTESA-N 451.483 1.736 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)NC2(c3ccc(Br)cc3)CCOCC2)C1=O 523380799 SASFPQRJXJWEHG-UHFFFAOYSA-N 450.289 1.548 30 10 JDEE COc1ccc(CCn2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnn4ccccc34)c2=O)cc1 729671747 WZRKIOZXMYFYLG-UHFFFAOYSA-N 485.569 1.590 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(=O)N(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286387702 UJBLCWAEYWCOGT-GOSISDBHSA-N 458.588 1.691 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)Oc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286389616 NMYXFLVVHKXPSN-HLIPFELVSA-N 487.582 1.332 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286392407 GXCDYWUCKUOUQN-IBGZPJMESA-N 492.001 1.008 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1286478914 DJPJPEWUFKPXQT-VXKWHMMOSA-N 492.690 1.072 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1 1286523396 UVZQIJFKWLNKEM-SAHWJRBASA-N 458.563 1.857 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286529817 AIIDFHNAYTUJNC-CQSZACIVSA-N 482.383 1.578 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1286785508 MLEZGIJBLVCGOQ-UHFFFAOYSA-N 483.598 1.487 30 10 JDEE CO[C@@](C)(Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C1CC1 1299498493 CUHOINBHBUVQQP-QHCPKHFHSA-N 469.594 1.472 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1300408906 CZLCYKVCBDDXKM-SFHVURJKSA-N 493.659 1.424 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300497971 FMMRBWNKTUBHHA-QGZVFWFLSA-N 493.580 1.936 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2)n1 1300681532 SRRXWVCRTJBOHI-FQEVSTJZSA-N 468.583 1.711 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(F)cc2C(F)(F)F)CC1 1300684087 XBHMOKPFRQSEMC-CQSZACIVSA-N 488.511 1.850 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)C(=O)C1 1301531185 FCPFERSFQSZZAL-LJQANCHMSA-N 489.598 1.088 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(F)cc(F)c1 1301967366 CDZYZFIHNNSHMT-KDOFPFPSSA-N 468.530 1.728 30 10 JDEE CSC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1302511808 ASEZBNGYTCSBCR-HNNXBMFYSA-N 478.648 1.623 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(N2CCCC2)nc1 1303835652 DBKDCKDOVRUIDK-MGPUTAFESA-N 462.555 1.374 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(-c4cccc(Cl)c4)n3CC(=O)N(C)C)CC2)c1C#N 1304730221 AWCXRMDQNUHKNT-UHFFFAOYSA-N 467.965 1.927 30 10 JDEE C#CCN(C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1311822726 SEQLLRCEGWGHLZ-PKOBYXMFSA-N 450.580 1.861 30 10 JDEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1314992172 ABDXMMCBWZAQGV-OALUTQOASA-N 486.598 1.516 30 10 JDEE COc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)cn1 1315505045 FOSGILDOAZIAFX-UHFFFAOYSA-N 483.554 1.262 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1358958566 QRRCWQVMVLKFLR-RXVVDRJESA-N 452.584 1.928 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCNc1nccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1358963395 HENZLOYVMOHZEA-GJZGRUSLSA-N 499.519 1.330 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1358966112 IBTZXNBPSBOESB-XUZZJYLKSA-N 471.627 1.147 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CCS(=O)(=O)NC 1358972489 GSFDAMCMAQHYRT-UHFFFAOYSA-N 450.362 1.638 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1F 1358977992 BDNMRABTKPHOPN-FXAWDEMLSA-N 475.546 1.290 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1358978671 RRKBUSNCPBODKJ-HNNXBMFYSA-N 471.530 1.413 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc(C)c(C)s1 1359025166 FQNGDGFVDUYCAO-KRWDZBQOSA-N 482.632 1.013 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)Nc2c(C)cccc2C)CC1 1359035660 ALCTXINOAVHPDD-IBGZPJMESA-N 470.599 1.191 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1359121804 JYMKGJJPCOALSL-IBGZPJMESA-N 480.635 1.416 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1359128385 SKQMXVUFAJYBLV-OALUTQOASA-N 491.570 1.902 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1359189157 CCQPUUKTGHUPBN-ZWKOTPCHSA-N 498.650 1.928 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC)C1 1359310502 YCPVJOHZPRTXNF-TZIWHRDSSA-N 491.614 1.839 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](Cn2cccn2)C1 1359336615 WIGCUZPWETWCMC-KRWDZBQOSA-N 454.560 1.947 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(-c3ccc(OC)cc3)nn2CCO)cc1 1457838804 GCBWZPFBWJHVAU-UHFFFAOYSA-N 454.508 1.715 30 10 JDEE C#CCN(C(=O)NC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1478917407 WPBWFTPZWHGDRW-WBVHZDCISA-N 459.490 1.442 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCC(O)CC1 1507537389 IAIBFCVEAOLILF-AZUAARDMSA-N 476.622 1.891 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N(C)C)CCOCC1 1507616269 HVASGBYWTQRCFW-SFHVURJKSA-N 462.595 1.767 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507622190 GVLFWYBPLQWQHL-SJORKVTESA-N 472.571 1.367 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)c1ccccn1)[C@@H]1CCS(=O)(=O)C1 1507623365 RKTYWGQWYIRFDD-GOSISDBHSA-N 493.593 1.925 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1507625815 BCTGEZYZRAKAGD-INIZCTEOSA-N 482.965 1.906 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1507632312 ZBCGWFCMYOYNJF-FQEVSTJZSA-N 453.572 1.642 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1507635619 XVMWGWAMHJDNFY-YADHBBJMSA-N 489.617 1.482 30 10 JDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507641560 HKNBSHBTCQXWFM-QTEQDKRBSA-N 475.615 1.207 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCS(=O)(=O)C1 1507713876 ZQSKQYKAKWECGN-SFHVURJKSA-N 456.572 1.427 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1507738326 NIFXTOVHDPYSBO-IBGZPJMESA-N 479.585 1.109 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2ccnn2C)C1 1507746143 LOUPNSJAXNLDDL-JKSUJKDBSA-N 451.622 1.372 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(C)=O)CC1 1507783685 DSCDJQLJGGDMSM-CQSZACIVSA-N 460.398 1.536 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2F)CC1 1507830732 VGPFFWJXHWALRN-LJQANCHMSA-N 464.567 1.653 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1508130367 HUEUGCSDCFKVSG-DOTOQJQBSA-N 478.550 1.372 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1508163692 XBIOVWIWVJYUIQ-WMZOPIPTSA-N 498.675 1.025 30 10 JDEE C[C@@H]1C[C@@H](C)CN(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)C1 1512000550 HOZCUWFJLIYPSF-SFHLNBCPSA-N 493.678 1.719 30 10 JDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)C1 1517660098 HNWFSGSQVAXEIV-HXUWFJFHSA-N 451.575 1.842 30 10 JDEE C#CCN(C(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1)[C@@H]1CCS(=O)(=O)C1 1530298077 STDFQNJNMKAFOG-OAHLLOKOSA-N 452.579 1.405 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CC(=O)N(CCOC)C2)c1 1539042498 GXSSTEZKVCTSHV-LEWJYISDSA-N 494.596 1.723 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1539203933 WEILITYGIWRQOB-GOSISDBHSA-N 463.991 1.939 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1539216808 XLYGWWGCIPNKRR-BXKMTCNYSA-N 498.609 1.370 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(OCC)c1 1539266848 TUGLSRHFZCGISC-NRFANRHFSA-N 487.582 1.139 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CN(C)C(C)C 1539370582 XUGFGUZCRRCGGQ-JOCHJYFZSA-N 488.658 1.959 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCN2C 1539396148 LGYROCCMGHNTMD-QGZVFWFLSA-N 460.604 1.405 30 10 JDEE C#CCN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCS(=O)(=O)NC(C)C)CC1 1539431223 RIPWMFUURZCPEP-UHFFFAOYSA-N 470.643 1.831 30 10 JDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1539454146 XZYKASNDNIAOKP-UHFFFAOYSA-N 464.595 1.612 30 10 JDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)N2CCOCC2)CC1 1539454433 NTSIFZPQCIBHCB-UHFFFAOYSA-N 452.603 1.766 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CN(CC(C)C)CCO1 1539538667 LGPBZAWQPRKOOG-DBXWQHBBSA-N 452.625 1.237 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1540021063 ZXUPRYPPYDXTBG-OAQYLSRUSA-N 487.649 1.630 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)c(C)c2)C1 1540892593 OLMYQLCAXNOPNY-UYAOXDASSA-N 479.578 1.888 30 10 JDEE C#CCN(C(=O)c1cn(CCOc2ccc(C=O)cc2Cl)nn1)[C@H]1CCS(=O)(=O)C1 1543463501 XGDUHBWYXWPEBA-HNNXBMFYSA-N 450.904 1.086 30 10 JDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCN(C)S(=O)(=O)CC 1545545775 DQPWDMYCUFMIBZ-ZWKOTPCHSA-N 489.650 1.840 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1Cl 1587638654 GLWIEILJLDRODK-QAPCUYQASA-N 451.980 1.965 30 10 JDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1587857110 VXDLOHJTWRMXPH-TVFCKZIOSA-N 479.603 1.322 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1588034028 AFDKMJJMBSNVDO-MOPGFXCFSA-N 457.512 1.825 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1588035917 ZKOIPVPEEHGFAD-HXUWFJFHSA-N 481.578 1.636 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1588040571 OPSZWBQOJGMDFW-IRFCIJBXSA-N 474.583 1.632 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(C)COCCO1 1588581649 ZJZLJECAKKOYBO-LJQANCHMSA-N 452.353 1.938 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2OCCOC)CC1 1588864881 LBUGTTGXJPQVDN-UHFFFAOYSA-N 452.559 1.229 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCC[C@@H]1NC(=O)NC1=O 1589242472 BFDOEVZLZYJUSD-LHSJRXKWSA-N 455.544 1.250 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1589658239 WIZHUEMJDQHJOA-HZPDHXFCSA-N 465.542 1.846 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2OCC)CC1 1593637168 ZKGJNSNLZGCKSN-NRFANRHFSA-N 490.630 1.912 30 10 JDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1594698073 JVPNKVOLLNAHCN-UHFFFAOYSA-N 450.551 1.145 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1595467499 WJIJIYQAMYVQKD-UHFFFAOYSA-N 488.980 1.622 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1595544848 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C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705516466 BZPPUHBZEDMCKN-UHFFFAOYSA-N 486.646 1.727 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2nnc3n2CCCCC3)C1 1705915320 JTURNJJXLCEELM-DLBZAZTESA-N 478.623 1.230 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(CS(C)(=O)=O)c2)C1 1705922729 RIYKLBZZUYSLPV-MOPGFXCFSA-N 459.572 1.603 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccc2OC)C1 1705925160 LTSGVEIKFVWVDA-FPOVZHCZSA-N 491.614 1.644 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2csc(C)n2)CC1 1705932112 LPWJPCNQJHYJOX-UHFFFAOYSA-N 461.617 1.961 30 10 JDEE C=CCSCCn1c(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1705948779 FFGXENKYQYLQNC-ZCVJKFOLSA-N 492.690 1.838 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCN1S(C)(=O)=O 1706743167 DOVHPLKTIINRIU-DOTOQJQBSA-N 460.560 1.879 30 10 JDEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C(N)=O)CCOCC2)cc1 1710542059 CDOJUPRMBFJURA-XLIONFOSSA-N 484.557 1.828 30 10 JDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)C[C@@H](C)O1 1712302758 AICVZABGUXEDKA-NFBKMPQASA-N 497.644 1.995 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1722295972 ZCNJPUZCNIKVGX-QGZVFWFLSA-N 477.569 1.805 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1722357827 APRFFRARHPXBMB-ZWKOTPCHSA-N 465.620 1.638 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1722363715 BJDLIBLEEMEQHP-FQEVSTJZSA-N 456.547 1.611 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1722365195 LTYHSAXZQMNCGE-XLIONFOSSA-N 475.590 1.940 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(O)CCO[C@H]2C)CC1 1722448013 UASLIQXPIJEXPI-UPCLLVRISA-N 473.524 1.653 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2noc(CC)n2)CC1 1722449540 LWJIPCZWPFPCRQ-UHFFFAOYSA-N 496.597 1.424 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2Cc2nncn2CC)CC1 1722450940 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C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1Cl)N(C)C 1740629822 BDLFCSXCPTZFTM-VQIMIIECSA-N 463.007 1.917 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1740684367 ORDTUKYZJLSHBB-JOCHJYFZSA-N 466.586 1.572 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2CC2(C)CCOCC2)n1 1740688625 HERNUVJJUUOJDO-IBGZPJMESA-N 455.563 1.529 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cccnc2OC)CC1 1740696338 RIEOEONWBXNOIB-FQEVSTJZSA-N 497.600 1.794 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740751728 OFAPCUBLQHDGCN-MJGOQNOKSA-N 489.602 1.378 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1740955265 OLRUWWZEFXEPAH-QZTJIDSGSA-N 468.558 1.902 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1740985368 GLOBWDUDTRYAOV-HRAATJIYSA-N 469.608 1.182 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1740993120 YRYVXDYBNRWWEJ-FQEVSTJZSA-N 452.669 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C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCC(=O)N2CCOCC2)c1 1286309244 IPRBKWLAVXMTQP-UHFFFAOYSA-N 487.564 1.954 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1286343161 UOMNSFGQGPKPPX-LJQANCHMSA-N 465.668 1.297 30 10 JDEE C#CCCCn1c(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1286359930 NIUYRZRHHONSRI-RCZVLFRGSA-N 474.650 1.575 30 10 JDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC[C@@H](C(F)F)N1CCOCC1 1286377686 CFHQCHXSHWULQF-HNNXBMFYSA-N 452.531 1.695 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1c(F)cc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1286379718 BGBGEEAKOJJIIP-LBPRGKRZSA-N 487.479 1.648 30 10 JDEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CCOCCCO)[C@H]1CCS(=O)(=O)C1 1286383772 NSZZESYQVDOPKQ-SFHVURJKSA-N 497.415 1.733 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccc2c[nH]nc2c1)[C@@H]1CCS(=O)(=O)C1 1286383810 ZOBMAYLAMUBUTO-GOSISDBHSA-N 469.571 1.162 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1286398496 YDDHJSKWVMZLQG-AZUAARDMSA-N 460.556 1.208 30 10 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C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1740623395 SOQUSHFXVXZTIT-DLBZAZTESA-N 484.582 1.337 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(CN2CCOCC2)c1 1740644794 UQVIRBYWSRHJMJ-ZEQRLZLVSA-N 463.582 1.955 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(OC)nc2ccccc12 1740645157 AEEHMOPRFQXGEA-KRWDZBQOSA-N 466.567 1.956 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[C@H]1COCCO1 1740653663 TZPNVBNSWMSLIZ-IBGZPJMESA-N 460.538 1.943 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1740684055 JAYSTWKDFFOFHH-OXQOHEQNSA-N 451.449 1.765 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCSC2)n1 1740689203 RHCHTKYACIFNIU-MSOLQXFVSA-N 478.644 1.416 30 10 JDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[C@H]2N2CCCS2(=O)=O)CC1 1740696445 UTJMEHZMXJBQRQ-WOJBJXKFSA-N 462.664 1.826 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2noc3c2CCCC3)CC1 1740701080 TZQPVDUOLNBLDU-UHFFFAOYSA-N 453.547 1.297 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2([S@](C)=O)CCC2)CC1 1740702877 AQXGYTZCHYJXKY-NHRFMIRVSA-N 477.631 1.197 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCC2(O)CCOCC2)CC1 1740704124 IDLOCIPVAJJQAX-UHFFFAOYSA-N 452.559 1.546 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)c2ccccn2)CC1 1740708056 ALXUMNTYQWJJGM-UHFFFAOYSA-N 463.586 1.739 30 10 JDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1740718166 ITYCKWCGGHNEQF-MSOLQXFVSA-N 452.588 1.915 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CN(Cc3ccccc3)CCO2)CC1 1740818488 KZSRBDFCBCAYRS-PZJWPPBQSA-N 474.631 1.946 30 10 JDEE C=CCn1c(-c2cccn2C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1740945872 GEQQZEZUBUEPAB-INMHGKMJSA-N 462.576 1.596 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1740959869 GHZMIZRVAGGHCV-KRWDZBQOSA-N 456.547 1.693 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1740964748 UEMSWWISEAOHEK-SJORKVTESA-N 454.531 1.130 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1740991222 RAOPXJGNWVPDPJ-UHFFFAOYSA-N 475.619 1.526 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1740994150 NDRGQKPFLIUATN-HNNXBMFYSA-N 452.508 1.596 30 10 JDEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1741000939 IIMMRQMSFRYYKW-RHSMWYFYSA-N 470.555 1.873 30 10 JDEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)C1 1748143082 DRBWZNRWHYRPGW-VWLOTQADSA-N 481.601 1.802 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCS(=O)(=O)CC1 1748673256 DMXRGIGGNWLZBU-WMZOPIPTSA-N 481.619 1.869 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1748809867 WWZYWTFSIUGOOI-QGZVFWFLSA-N 460.556 1.626 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)CC=C)[C@@H]1CCS(=O)(=O)C1 1748819683 RMSTXHHBEHCHCK-LJQANCHMSA-N 480.587 1.236 30 10 JDEE C#CCN(c1nnc(COCC)n1CC1(N2CCSCC2)CCCC1)[C@@H]1CCS(=O)(=O)C1 1748825204 WNTXHSZZIWPMEN-LJQANCHMSA-N 481.688 1.803 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(O)CCOC2)CC1 1749001090 HYDLBEGPXPANRZ-RUZDIDTESA-N 480.569 1.264 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCCC2)CC1 1749021840 BKOQZVVUSHAOBW-MRXNPFEDSA-N 468.649 1.094 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(S(=O)(=O)CC)CC1 1749403111 WOVYHUGXFFHASC-GOSISDBHSA-N 489.664 1.371 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1760190657 TWIVEMQJESUDMG-QFIPXVFZSA-N 499.637 1.763 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2cccc(OC)c2)CC1 1760206456 ZTJQNHMOBMUVBH-OAQYLSRUSA-N 483.594 1.424 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1760264301 IHGFJVNYQADLLR-NRFANRHFSA-N 486.642 1.511 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1760264425 NDEVLWXOGFSAIL-UHFFFAOYSA-N 468.949 1.419 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1760264739 DCZSYIOYGODZSM-UHFFFAOYSA-N 458.588 1.257 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2F)CC1 1760270466 XYRGXRRCEAJWHI-IBGZPJMESA-N 473.574 1.642 30 10 JDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1760347610 NCPJGBDFDMTPEE-KRWDZBQOSA-N 458.567 1.779 30 10 JDEE C=C(C)COCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1760355197 BAWXIEWZKFIQLG-FQEVSTJZSA-N 495.584 1.780 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1760519516 HFRGMFFJWQTXCN-MJGOQNOKSA-N 498.584 1.386 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1760526943 JZZJTJJZXGLTJC-UHFFFAOYSA-N 483.548 1.371 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2CCOC[C@H]2C1 1760553053 KCODLWPHYLBBBC-QGZVFWFLSA-N 477.587 1.084 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)CCN1CCOC(C)(C)C1 1760554078 QSABAKITFCPMHV-UHFFFAOYSA-N 462.620 1.796 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)N4CCCC4)n3C[C@@H](CC(C)C)N(C)C)CC2)c1C#N 1762399827 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C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCc2ccccc2C1 1286410113 SDKVHTHAOPFHOL-UGKGYDQZSA-N 451.596 1.700 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)CN(C)C)CC1 1286487589 GSDBSTKMPXHNDN-RUZDIDTESA-N 474.650 1.872 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(OC)ccc2OC)CC1 1286490071 GOPUDUBBCMALHB-IBGZPJMESA-N 466.542 1.261 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1286557651 WXWMNJMCAYCUEI-TXVWBRJLSA-N 496.678 1.511 30 10 JDEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(N)=O)CC1 1286712172 SXQYNQBGAJMQHL-GOSISDBHSA-N 478.594 1.881 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(C2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C 1286752056 WMNGHXBAWWGLTI-NHCUHLMSSA-N 469.634 1.781 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](OCC=C)C1 1286786349 CBHRBCLZFHERQY-MRXNPFEDSA-N 459.576 1.322 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2nc(CC)ns2)CC1 1286789087 OVXHVVFDKUAXSZ-UHFFFAOYSA-N 453.576 1.307 30 10 JDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)[C@@H](C)C1=O 1287751410 GWCWXQCACCUZOX-KRWDZBQOSA-N 475.557 1.663 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCC[C@H]1C(=O)N(C)C 1300304984 RJLNWEUXIXQWND-AEFFLSMTSA-N 455.563 1.406 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(COC(C)(C)C)on1 1300631809 WERVAYPZYGMESI-GOSISDBHSA-N 480.591 1.422 30 10 JDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1300767226 SWFQBCCAYXPAJF-QHCPKHFHSA-N 475.622 1.979 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCOC)CC1 1300883551 CRGQVPUUNCGROD-ZJOUEHCJSA-N 474.606 1.580 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCC(C)CC2)CC1 1301125662 PVAJAAKJXWQGOR-HXUWFJFHSA-N 466.652 1.745 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccco2)C1 1301257971 ICVWKDBDRWXHHJ-PKOBYXMFSA-N 465.576 1.791 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](N2CCCC2=O)C1 1301492822 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C#CCN(c1nnc(CC2CC2)n1CCCS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358966842 XVBBGLAPDAMTAZ-IBGZPJMESA-N 476.624 1.721 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1358966965 AMYIUUKJFAHFGB-VQTJNVASSA-N 487.626 1.834 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(=O)NCC)cc1 1358985107 PMEPUIZRFOHPST-KRWDZBQOSA-N 456.572 1.149 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1359034291 KUHVKMPFUFXSBX-UHFFFAOYSA-N 467.599 1.439 30 10 JDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1359038162 MIXBAYSREIMLLO-JOCHJYFZSA-N 450.587 1.313 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCO[C@H]2CCCC[C@H]2C)CC1 1359040383 SAKLWPFRUHAJDR-QUCCMNQESA-N 458.607 1.977 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1359057402 YTOBYHMZTDLJNV-NVXWUHKLSA-N 497.668 1.391 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(C)c1C 1359099882 UOYFUZOLXPPCIB-IHPCNDPISA-N 493.634 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471.558 1.942 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC=C(C)C1 1508134551 GUECALXKEIQXIX-UHFFFAOYSA-N 479.628 1.953 30 10 JDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(C)n(C)c2=O)cc1C 1510941206 HRRCMTYPXDBYLU-HXUWFJFHSA-N 461.526 1.931 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(S(C)(=O)=O)ccc2Br)n1 1524967816 FRNSEVQRYDPXSS-UHFFFAOYSA-N 454.346 1.971 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(OC)c1OC 1539013949 KZLZKHIBBQSVBS-CRAIPNDOSA-N 493.586 1.143 30 10 JDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1539215331 AFMPHANKRFCZES-OAQYLSRUSA-N 495.609 1.674 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCN(C)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1539216461 SGBJLWXJUMSQBV-LJQANCHMSA-N 485.589 1.971 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1539223098 ZDDLYUAJYQWFIH-MOPGFXCFSA-N 459.572 1.641 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CCN(C(C)C)CC1 1539412945 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C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1595319274 JWHZGECFDGHJMZ-OAHLLOKOSA-N 450.540 1.566 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1595507120 XFJXRSFSYNSLOG-LJQANCHMSA-N 481.557 1.675 30 10 JDEE CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)CC1 1614311203 HUGQZOPOAYYBHR-UHFFFAOYSA-N 477.573 1.876 30 10 JDEE C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1631124319 CBSQFKJUCDBBJW-SJLPKXTDSA-N 457.962 1.720 30 10 JDEE C=CCC1(O)CCN(CCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CC1 1655633957 CSWCZAHLVZKJBX-UHFFFAOYSA-N 451.589 1.674 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)CC1 1670967722 IRUGCUOVUYIHRA-UHFFFAOYSA-N 450.561 1.578 30 10 JDEE C#CCN(C(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1681158891 YSPUWOCSHAAYLC-HOTGVXAUSA-N 457.474 1.638 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@]1(O)CCS(=O)(=O)C1 1689837577 ISCBXLAKSZJAIN-BDJLRTHQSA-N 459.391 1.777 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689993205 XUCGGQBHFMLHSU-INIZCTEOSA-N 499.515 1.183 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](c2ccco2)N(C)C)CC1 1690137717 HGPRBCJDNHEYOT-CPJSRVTESA-N 484.601 1.792 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1690144061 KNTKWHBBKIEDJI-YADHBBJMSA-N 472.634 1.842 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CC(=O)N2CCOCC2)CC1 1690150740 SMPJTIWEPLRCGB-UHFFFAOYSA-N 478.597 1.278 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COCC)C1 1690228783 FXRQXDWTJYDLSS-CVEARBPZSA-N 492.440 1.773 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1690265447 PAZHQIZQULSQCL-OZIGNCPNSA-N 467.636 1.955 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1690288362 UTMHNDJCICGSPB-HXUWFJFHSA-N 494.662 1.806 30 10 JDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1690319558 QWBOMUXKINAJGD-UHFFFAOYSA-N 471.606 1.808 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1690644491 OOKSRVPGGFNIFW-HXUWFJFHSA-N 472.571 1.716 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1690677356 VJMVALJWCFPODH-IBGZPJMESA-N 499.591 1.431 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1690720275 DNFSYDHNWAZZRW-KRWDZBQOSA-N 482.628 1.958 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCOC2(CCOCC2)C1 1690726969 ROHKQVQNITVFRX-UHFFFAOYSA-N 467.617 1.620 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCOC[C@H]1C 1692793522 BRBBTJFUTJUSBX-ZIFCJYIRSA-N 488.618 1.154 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCCCC2=O)CC1 1705517591 ZBOVGRZPOIZLRG-HXUWFJFHSA-N 492.646 1.396 30 10 JDEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705530640 QZAKXXQBTDRCES-UHFFFAOYSA-N 483.598 1.920 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H](C)N1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1705564084 AAAQFHICDYDOBL-CTNGQTDRSA-N 462.664 1.588 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](Cc1ccc(F)cc1)C(N)=O)[C@@H]1CCS(=O)(=O)C1 1705564957 GGWYRKYFDZSFQV-AZUAARDMSA-N 489.617 1.977 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1705571489 ZXDUCOGAOMQFAW-RTBURBONSA-N 479.628 1.456 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1705652556 DNHSQZYLMKSXJO-UHFFFAOYSA-N 473.599 1.373 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705731264 VFVHHHWBXKITEI-GOSISDBHSA-N 497.643 1.411 30 10 JDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1)c1ccccc1 1705741410 OQRXKTXDVZMNAZ-GOSISDBHSA-N 451.531 1.602 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1705900014 NIBWCMQCNUTLJX-UHFFFAOYSA-N 453.572 2.000 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1705901726 VCRNCHFHCSUHEN-UHFFFAOYSA-N 465.514 1.304 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705910598 HBSPPSFNULZIGW-VWLOTQADSA-N 495.584 1.844 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1705934310 IJPMFUOJWILCSS-UHFFFAOYSA-N 478.663 1.573 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1705934550 PIKKEOLTRVXSJK-BJLXPSRBSA-N 465.601 1.204 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1705937073 HUIGDDSDBLWITR-UHFFFAOYSA-N 475.590 1.862 30 10 JDEE CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CCO1 1706352972 FOJXVIUCNFAUJW-FQEVSTJZSA-N 464.530 1.743 30 10 JDEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)no1 1707299017 GBUBMWHLFSKGDZ-SFHVURJKSA-N 485.570 1.839 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(O)cc2C1 1722316202 DGDADJAMRFCCLC-FQEVSTJZSA-N 459.572 1.683 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722370075 LCYBEVFPGOIQDP-GOSISDBHSA-N 489.573 1.669 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1722372584 ZWADBSPZYZKTOQ-HZPDHXFCSA-N 465.601 1.321 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)Cc1ccccc1 1722385006 XHTUTJXZYWIXPW-IRLDBZIGSA-N 484.626 1.204 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)N2CCOCC2)CC1 1722433190 OLWXQPXJYLGSNJ-UHFFFAOYSA-N 460.485 1.161 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)c2ccc(OC)c(OC)c2)CC1 1722436870 MNAYZKSDJVNLAF-LJQANCHMSA-N 466.586 1.979 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1722438500 TYFQZKLZJZBIKV-HXUWFJFHSA-N 459.545 1.760 30 10 JDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1722453047 NOAYJSHNNNPTBK-KRWDZBQOSA-N 455.650 1.966 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(ccnc2N(C)C)C1 1722617367 IZVYFJGZFZTSHT-IBGZPJMESA-N 475.619 1.601 30 10 JDEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNS(C)(=O)=O)C1CC1 1722651167 QMXOZNBGXWZKNC-INIZCTEOSA-N 470.596 1.291 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1ccccc1CC 1722699002 QHQQGEWRPKMOCV-QGZVFWFLSA-N 474.587 1.120 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1722700642 OLIOWMKVXWMDON-UHFFFAOYSA-N 484.586 1.631 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCOCC1 1722724643 BXDRJGDXWQGKBT-UHFFFAOYSA-N 467.979 1.689 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1722725802 SLGBSNFEYNFILV-UHFFFAOYSA-N 479.628 1.879 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722749610 GVSYSJAQQCDNBC-QGZVFWFLSA-N 475.531 1.010 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(=O)Nc1ccc(F)cc1 1723939910 ABPZXLLCFVEYMC-JLTOFOAXSA-N 463.539 1.796 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO1 1729396228 AOUXPCAWJCRULS-MOPGFXCFSA-N 460.560 1.298 30 10 JDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1740576981 OFPFVXPYPPGPFV-UHFFFAOYSA-N 484.626 1.856 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1740618058 BKVXVZUODGWVDJ-IBGZPJMESA-N 454.556 1.671 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1740619350 NOWNVAVLMNPYSW-PGRDOPGGSA-N 494.639 1.526 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1740626645 XWOSVUZRWGCIFP-XLIONFOSSA-N 465.601 1.066 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1740626864 WRRPOJCXKRJVTI-NRFANRHFSA-N 467.599 1.565 30 10 JDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740720668 IHTANYSUYUBKCH-SFHVURJKSA-N 473.628 1.401 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(S(C)(=O)=O)CC1 1740751956 QHOQHDMSTBXLSS-BZSNNMDCSA-N 457.597 1.065 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)N1CCOCC1 1740919577 KVKFBAPYBRJXJY-MRXNPFEDSA-N 480.566 1.079 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1740955559 XTUBQQJVLRSVNC-XMMPIXPASA-N 468.558 1.902 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1740959406 ULQVKPNIRCBZPG-INIZCTEOSA-N 471.562 1.297 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1740994446 RJLWQEVTGCDRBL-QFIPXVFZSA-N 470.555 1.046 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1747441435 HAIXDMRFWNMFOM-MSOLQXFVSA-N 457.560 1.003 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1748734908 KJRPVSNKSFBSBV-GHTZIAJQSA-N 457.600 1.919 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1748751656 JOJJMLVRPBAPDW-INIZCTEOSA-N 499.519 1.396 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(NC(C)=O)c1)[C@@H]1CCS(=O)(=O)C1 1748801500 BEAYSEPTVKXPHA-LJQANCHMSA-N 472.571 1.050 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1748846265 FTNYGKPZNAXUKJ-IBGZPJMESA-N 471.558 1.277 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OCC)c1ccccc1 1748892849 XISVVVYBGAQIHH-FGZHOGPDSA-N 485.610 1.852 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCCN2CCCO)CC1 1748978808 OYPGSBSGBMRTJW-LJQANCHMSA-N 490.450 1.648 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCC(=O)NCCC)CC1 1748986877 KQPVISCFZVPOAJ-UHFFFAOYSA-N 476.585 1.346 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(C)=O)CC1 1749129393 CQQMMHKLOZREKV-AABGKKOBSA-N 465.620 1.514 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccccc1 1749670999 XPHWACQTIQWQTG-RTBURBONSA-N 474.587 1.255 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(COCC)n2C[C@H]2CCC[C@H]2N2CCCS2(=O)=O)C1 1749718105 BFBAYVMACBZWCL-GUDVDZBRSA-N 453.609 1.800 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1749725868 VVDXSWRNSARMKP-RDJZCZTQSA-N 481.525 1.862 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1749731462 DWNKVEJVBOKMAA-BZSNNMDCSA-N 451.593 1.473 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(OC(C)(C)C)CC1 1749738757 WRPPZCUXQHKTAH-UHFFFAOYSA-N 453.609 1.785 30 10 JDEE Cc1ccc(C(=O)NCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)cc1 1751442392 BOYBDNFQXWLPDF-HKUYNNGSSA-N 489.602 1.088 30 10 JDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760132756 OEPQKFJBIWMERJ-FQEVSTJZSA-N 498.609 1.919 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNS(=O)(=O)CC 1760172771 ZBXLXMVPIIIZBM-QGZVFWFLSA-N 468.624 1.791 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760182387 JHLKQABDENZDDS-UXHICEINSA-N 492.690 1.944 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1760190492 RJNDKUSYXIUIRM-FQEVSTJZSA-N 451.552 1.948 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1760190630 SRAUIUGKTISAHT-GOSISDBHSA-N 454.556 1.798 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1760192188 RZTAZEBFOMEJDT-MSOLQXFVSA-N 457.556 1.071 30 10 JDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1760207024 VBLWPWHZHUQBRC-QGZVFWFLSA-N 452.481 1.127 30 10 JDEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@H]1CC 1760357122 FATVZOMBDQRUOO-MSOLQXFVSA-N 478.594 1.894 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760507417 FCJPZLNHRFNQAR-UTKZUKDTSA-N 472.615 1.523 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CSCCS2)CC1 1765635147 FNAWZRRLJBGYPV-LJQANCHMSA-N 471.656 1.923 30 10 JDEE CCN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)CC1)S(C)(=O)=O 1766520365 BYUWYAKUNBQUOA-UHFFFAOYSA-N 487.630 1.935 30 10 JDEE CN(C)CCN1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CC1 1768511818 CMSQTXSXGKHGNM-FQEVSTJZSA-N 463.652 1.194 30 10 JDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)C[C@H](C)O1 1770960056 CLGNJZQGSTXHMV-DOAHWQAKSA-N 457.531 1.509 30 10 JDEE N#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)N3CCC[C@@H](C(=O)O)C3)cc2)c1 1858661266 DNLODWJHFQPCOJ-GOSISDBHSA-N 470.507 1.683 30 10 JDEE C=CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2ccc(CC)c([N+](=O)[O-])c2)[nH]1 1871620021 ZNSMUTRINCXKPZ-UHFFFAOYSA-N 462.518 1.644 30 10 JDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cn(-c4ccncc4)nn3)CC2)CC1 1889512784 FKSSAROFFAMNBF-UHFFFAOYSA-N 451.575 1.313 30 10 JDEE C[C@@H](C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1)n1nc(-c2ccc(F)cc2)ccc1=O 1889642103 CJZWFDCBUUZBTO-NRFANRHFSA-N 495.599 1.869 30 10 JDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCO[C@@H](C(=O)NC3CC3)C2)[C@@H]1c1ccc(C#N)cc1 1890349120 GJPNGSPOEBRZDL-GIVPXCGWSA-N 456.568 1.458 30 10 JDEE CC1(C)OB(C2=CCN(c3ccc4c(c3)C(=O)N([C@@H]3CCC(=O)NC3=O)C4=O)CC2)OC1(C)C 2086866185 PKBSKSGWKJWKIO-GOSISDBHSA-N 465.315 1.856 30 10 JDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(CNC(=O)OC(C)(C)C)COC1 2255622605 BPHIOJXMIVXFNH-UHFFFAOYSA-N 453.370 1.774 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)n1 2255796295 OQADCUSNWWILHV-ZIAGYGMSSA-N 456.374 1.053 30 10 JDEE CC(C)(C)OC(=O)NOCCNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255932549 CTYDNDFVIVVDMA-UHFFFAOYSA-N 456.370 1.862 30 10 JDEE C=C(CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C1)B1OC(C)(C)C(C)(C)O1 2255950339 LRXMUSMXUMFPFE-INIZCTEOSA-N 460.402 1.808 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1(F)F 2256614723 PFLDLZFGNXEKSP-VHSXEESVSA-N 460.312 1.604 30 10 JDEE C=C(CN(C)C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2256625377 VUPIULWEQDSODL-OAHLLOKOSA-N 460.402 1.960 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)OC(C)(C)C 2267272431 ZKSJMIYFMZUONE-STQMWFEESA-N 453.324 1.192 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2281943932 BDHNDIPGQCHLOV-FGTMMUONSA-N 462.352 1.057 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2CO)n1 2282039430 VGRQTIWRRRJEEG-GOEBONIOSA-N 464.372 1.067 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)n1 2282500912 PGHGEBSONVYSGY-AZUAARDMSA-N 472.420 1.614 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(NC(=O)OC(C)(C)C)CCOCC1 2282539058 OLFGWOVVJOVOIP-UHFFFAOYSA-N 464.372 1.523 30 10 JDEE Cc1ccnc(C(=O)N2C[C@@H](O)C[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282567360 MYZSCUHOQXFWQB-HOTGVXAUSA-N 461.368 1.789 30 10 JDEE Cn1cc(C(=O)N2CCC[C@@](O)(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282588145 DLBSWZBIEMXOFJ-JOCHJYFZSA-N 464.372 1.211 30 10 JDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C 2282598175 KQWQREGXRCRZDY-CABCVRRESA-N 464.372 1.392 30 10 JDEE Cn1nc(C(=O)N=c2nc(CCNC(=O)OC(C)(C)C)[nH]s2)cc1B1OC(C)(C)C(C)(C)O1 2282616063 WINJDSGTCIOKGM-UHFFFAOYSA-N 478.384 1.312 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)C1(C)C 2282694235 GCGCVUATHXKSGA-CQSZACIVSA-N 463.388 1.880 30 10 JDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@H]2CNCCN2Cc2ccccc2)OC1(C)C 2282840414 NEROWMJNPKIZGR-FQEVSTJZSA-N 491.488 1.941 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CNS(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2282840972 QZQKPFSLOHYICK-QDMKHBRRSA-N 499.464 1.975 30 10 JDEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)nn1 2283968787 GPCXSWSLIOKOKC-INIZCTEOSA-N 458.328 1.714 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2284126331 RGFIRTCXXSLBFJ-HNNXBMFYSA-N 481.380 1.353 30 10 JDEE CC1(C)OB(c2ccc(C(=O)N[C@@]3(C(=O)O)CCN(Cc4ccccc4)C3)nc2)OC1(C)C 2284477360 WGLDGIYQQQGACZ-DEOSSOPVSA-N 451.332 1.840 30 10 JDEE Cc1c(C=C2SC(=S)N(CCC(C)C)C2=O)c(N2CCN(CCO)CC2)n(C)c(=O)c1C#N 2314435748 IKNBOAWYGQPXEE-UHFFFAOYSA-N 489.667 1.927 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2335425950 LEMUORGAYNXEBY-AWEZNQCLSA-N 469.369 1.257 30 10 JDEE CC(C)(C)OC(=O)N1CC(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)(S(C)(=O)=O)C1 2351776580 IPSVBRDOCHBCDV-UHFFFAOYSA-N 487.409 1.415 30 10 JDEE C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 31295105 GXESPCLKUXPNIX-HXUWFJFHSA-N 467.595 1.602 30 10 JDEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3cc(OC)ccc3OC)n2N)cn1 59830168 QMQHXWAKLALONR-ZVBGSRNCSA-N 457.520 1.568 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CCN2C(=O)c3ccccc3C2=O)nc1C 586301428 DXNQNAJKKPTBAP-HKBQPEDESA-N 461.521 1.778 30 10 JDEE C=CCOC[C@H](O)Cn1c(N/N=C(\C)c2ccc([N+](=O)[O-])cc2)nc2c1c(O)nc(=O)n2C 606630734 PZYLHSGVSWCYBO-AQXNZCSYSA-N 457.447 1.143 30 10 JDEE CC1(C)OB(c2cnc(NS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)s2)OC1(C)C 704369393 ZUICUYWRCJWUKA-UHFFFAOYSA-N 463.346 1.480 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc2c(c1)CCC2 729669387 NSMKVUFLPYICLR-UHFFFAOYSA-N 467.554 1.841 30 10 JDEE O=[N+]([O-])c1cccc(N=c2nc(NN=Cc3cc([N+](=O)[O-])ccc3O)[nH]c(N3CCOCC3)n2)c1 1081103608 REKLLDABWDSMDW-UHFFFAOYSA-N 481.429 1.842 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)c1 1157169217 KXLGFPDDEVBQFA-MSOLQXFVSA-N 451.545 1.661 30 10 JDEE C[C@@](O)(CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccccc1Br 1183284278 DKRYJHZBGONHBG-GOSISDBHSA-N 452.330 1.623 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)CCC)CC1 1286323272 JKDRBYYDTSIQFI-IBGZPJMESA-N 480.635 1.300 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1CCNC(=O)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1286386229 WUZAOPAQHZMUPM-SJORKVTESA-N 461.563 1.987 30 10 JDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(-n2cncn2)nc1 1286421279 CVYDAWXEKMAMNH-DEOSSOPVSA-N 460.542 1.806 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cn(C2COC2)nn1 1286463235 KXIAIFQAEDDUMY-UHFFFAOYSA-N 457.922 1.904 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(=O)N2CCOCC2)CC1 1286486624 HEEAVJYXZFZYDD-UHFFFAOYSA-N 488.951 1.562 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(O)CCSC2)CC1 1286487112 CZYVLVDVPNFNGV-HXUWFJFHSA-N 493.431 1.870 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1286492839 JRGUISYCJPGXLX-FGZHOGPDSA-N 472.634 1.495 30 10 JDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1286503208 BMTUMHSIEBDZPJ-UHFFFAOYSA-N 469.615 1.580 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)N(C)C 1286758423 NBJOATZLSJZSEP-KRWDZBQOSA-N 484.623 1.656 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1286788056 PDVICAXHRLLFRO-FQEVSTJZSA-N 498.632 1.871 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1286790971 QZJACBVUVNWOLX-HXUWFJFHSA-N 451.575 1.413 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2(O)CCN(C)C2)C1 1286806324 WWNKGELMQYWPNW-JXFKEZNVSA-N 465.396 1.894 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1286820222 HNVVEZUKDSCUPW-IBGZPJMESA-N 473.599 1.935 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1286822181 AEIUZEXPYQXVQQ-INIZCTEOSA-N 480.978 1.325 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(C)nn2C)c1 1300330835 DMXAQXGOKNERBN-MRXNPFEDSA-N 484.586 1.035 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CC(=O)N(CCOC)C2)c1 1300334757 SEGDXNZOBJMPNS-WOJBJXKFSA-N 480.569 1.333 30 10 JDEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1300341138 DEWMXPOQYXBFPR-QGZVFWFLSA-N 478.644 1.973 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1300482190 DNQCKEFMTDVMED-VGSWGCGISA-N 495.552 1.240 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1300484418 RUQVZEVNVGXWPA-VXKWHMMOSA-N 482.610 1.290 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1300575231 UNVBZNYVDSITEY-AZUAARDMSA-N 455.588 1.346 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(COC(C)(C)C)on1 1300631818 WERVAYPZYGMESI-SFHVURJKSA-N 480.591 1.422 30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCS(=O)(=O)N(C)C)CC1 1301072582 NDYXJLRTGQYWNS-UHFFFAOYSA-N 453.590 1.396 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCS(=O)(=O)C1 1301346595 GEJFORXNYWSDRB-AEFFLSMTSA-N 467.617 1.516 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1301501433 WYUHIHJUVYSXMX-PKOBYXMFSA-N 459.572 1.369 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCS(=O)(=O)N(C)C)C1 1301541749 CLWPUKUHMJRNNX-KRWDZBQOSA-N 450.521 1.526 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC2(CCOCC2)C1 1301588191 CSHORGHRHHLNMT-KRWDZBQOSA-N 472.633 1.178 30 10 JDEE CS(=O)(=O)N1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C(F)(F)F)C2)C1 1302467658 BNXFGDAXEBZBTL-RDJZCZTQSA-N 484.504 1.866 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358961860 GODVOLXPWFLEPX-CGBFIWBNSA-N 477.631 1.697 30 10 JDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1358963667 MCPVOLAGXQZBHO-QKLQHJQFSA-N 460.556 1.842 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1358964667 DHKAVFNXCQIBAD-LJQANCHMSA-N 475.640 1.960 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358992306 IEIYGDNQCZCWCD-QGZVFWFLSA-N 479.566 1.338 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)cc1 1359024743 UTMIPAYDHKHAHG-FQEVSTJZSA-N 473.599 1.151 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1359033042 NBNVBZFNAWFKLP-QFIPXVFZSA-N 495.672 1.991 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1359038985 SEPXPJYBYDEXAR-UHFFFAOYSA-N 473.599 1.588 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccsc2)CC1 1359045985 ZPJLYEYCRFSJIA-SFHVURJKSA-N 461.613 1.450 30 10 JDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1359053708 WFFHZMQAONINGZ-INIZCTEOSA-N 466.571 1.852 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1359090771 GDAHBFZVRSOIEP-HPBDAGMYSA-N 479.607 1.945 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCNS(C)(=O)=O 1359093947 VEVQTTFOLZQKHM-AEFFLSMTSA-N 464.548 1.820 30 10 JDEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1 1359133509 TXXLVBMVCPZDGK-QZTJIDSGSA-N 492.577 1.820 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1359291547 VDZHIVVMOKIUFW-QGZVFWFLSA-N 477.525 1.894 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1359301955 RBZNUVHSEIJFTC-CALCHBBNSA-N 462.545 1.995 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(OC)CCC(C)CC2)C1 1359321802 LYJGCXNNHKOFCM-XLLHFJCQSA-N 497.662 1.988 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(C)=O)C[C@H]1C 1359329311 FHXWDWNBQWOPLK-MRXNPFEDSA-N 475.571 1.374 30 10 JDEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H](COC)C(N)=O)c1 1435599620 XEPKDIHULUEXNC-KRWDZBQOSA-N 451.932 1.951 30 10 JDEE CC[C@H](C)NC(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1496240759 GTVOWLWHSFBVRB-KRWDZBQOSA-N 478.605 1.829 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@]2(O)CCOC2)c1 1507549351 GGFZLAJWUYRCCH-RPWUZVMVSA-N 469.542 1.138 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1507623160 PBPHKAMNJVRWEU-YESZJQIVSA-N 499.684 1.455 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1507633977 VXURCZJEAYNULH-SFTDATJTSA-N 463.648 1.921 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1C1CCCCC1 1507654016 UQJJLCAKYIOGAT-FCHUYYIVSA-N 488.658 1.481 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)N1CCCC1 1507689224 IPUDNIKPAPWRMA-YADHBBJMSA-N 486.642 1.908 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccnc(SC)c2)CC1 1507733622 GHSLZRRWRURCLM-UHFFFAOYSA-N 467.599 1.645 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1507799089 VDDAWZCNJOAWOY-MMOPVJDHSA-N 473.599 1.997 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1507838560 FABHAHPFTBRHAE-GOSISDBHSA-N 468.601 1.565 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(N(C)C)CCOCC2)CC1 1507901762 FRLPLEROQFLKAV-LJQANCHMSA-N 482.651 1.124 30 10 JDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1507965824 QOVHZPZZVSQMLE-HXUWFJFHSA-N 460.604 1.861 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)F 1508005322 WAHMEKMEHVOSJU-MRXNPFEDSA-N 453.515 1.754 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1508087482 RRJQZQJCRJXLLY-UHFFFAOYSA-N 490.568 1.000 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C2CCCC2)CC1 1508131045 KHABRMWPGPVGAP-UHFFFAOYSA-N 487.630 1.981 30 10 JDEE CCOc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)N1CCOCC1 1516342130 BBVPJIODAIMGPA-JOCHJYFZSA-N 458.494 1.557 30 10 JDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1516850467 GVDRGTMNEDBGJG-UYAOXDASSA-N 474.587 1.673 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CN2CCOCC2)c1 1538975314 ZJNQHGMAPGVGGE-ROUUACIJSA-N 460.604 1.227 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1539071786 DRRLOJLQAGABBN-QYZOEREBSA-N 451.593 1.420 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539213364 YHWWKFAOFMGILC-MJGOQNOKSA-N 493.033 1.589 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1539221864 RRWCAEPMICMJFY-HBMCJLEFSA-N 478.663 1.172 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1539222090 SYIDJIGVLNEEEP-HOTGVXAUSA-N 462.601 1.172 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCOCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539222610 WVDFWWSSZILXOU-WOJBJXKFSA-N 466.604 1.242 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1539229302 BLBIYUYBYRLTSL-FQEVSTJZSA-N 484.582 1.034 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](C)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1539231441 VURGRIKTONFIQD-MJGOQNOKSA-N 489.573 1.634 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC1(O)CCN(C(C)C)CC1 1539421040 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C#CCN(c1nnc(COc2ccc(F)cc2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1588068935 CJPHRCOGXPJALM-AZUAARDMSA-N 478.546 1.428 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1S(C)(=O)=O 1588398424 FLSZPSZUNZHQNP-MSOLQXFVSA-N 496.634 1.470 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1589134455 KIHCHJAVAKVADI-BZSNNMDCSA-N 456.634 1.772 30 10 JDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCN(C(C)=O)CC1 1594963326 RMUXNOQHKOOVGW-LJQANCHMSA-N 477.610 1.373 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](c3ccco3)C2)nnc1[C@]1(OCC)CCOC1 1595831645 VGJLCPIYMIFKKM-RXVVDRJESA-N 466.560 1.702 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1595837717 BZUIVCJAQJJZST-KRWDZBQOSA-N 470.665 1.541 30 10 JDEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCS(=O)(=O)N(C)C 1611736152 BNOFKWMWBOKNKV-AUUYWEPGSA-N 454.503 1.891 30 10 JDEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)CC1 1618903747 FDAWMUXJMDDFJM-SFHVURJKSA-N 469.546 1.338 30 10 JDEE Cc1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1 1656640949 FUUBCNXDPKLICP-UHFFFAOYSA-N 454.552 1.440 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1689852155 BIQYVDVMJJVXJB-CADBVGFASA-N 453.609 1.520 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cnn(-c2ccccc2)c1 1689852595 HVKYJYRCNZXMDF-RXVVDRJESA-N 483.598 1.497 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1690032752 IJMUROVAGAKHPE-ROUUACIJSA-N 478.619 1.751 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2SC)CC1 1690111721 ILZNMIVIRLPXOX-KRWDZBQOSA-N 462.645 1.722 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1690144085 LLAAZLQVNYNUPY-KRWDZBQOSA-N 487.605 1.498 30 10 JDEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1690274907 JGZAXYOXNFJBEH-KRWDZBQOSA-N 462.595 1.519 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCOC)[C@@H](CCC)C1 1690288048 FPCSWKLDMVMREF-OALUTQOASA-N 470.640 1.124 30 10 JDEE C=C(C)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1690299422 QWLRZTVAVJNMHN-QBPKDAKJSA-N 467.592 1.832 30 10 JDEE C=C(Cl)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690337177 GOBOTTITZSYWHZ-CYBMUJFWSA-N 495.765 1.616 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1690661904 KQUHTTNWZSBDGC-INIZCTEOSA-N 475.500 1.889 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1690671568 YVKVQZYFWZTAAD-ZWKOTPCHSA-N 472.594 1.864 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1690671856 APZLLAMKSDMPIF-XLIONFOSSA-N 468.558 1.835 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1690674268 VHDNTDQMBFSSMC-UHFFFAOYSA-N 457.604 1.961 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCS(=O)(=O)CC 1694349155 FBRBGGAYUJNVTO-UHFFFAOYSA-N 487.630 1.829 30 10 JDEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1695963110 HDTCOTWNVFAFJU-IBGZPJMESA-N 481.557 1.590 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705565322 HSSXPQKPBPICOS-TVFCKZIOSA-N 454.618 1.243 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 1705566548 NZWWINKLDFFGAI-BRWVUGGUSA-N 490.598 1.632 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1705567366 VRJWGDZCDAEDFO-ROUUACIJSA-N 497.042 1.703 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1705567580 YXRRSIHLQXLBHP-FQEVSTJZSA-N 465.583 1.494 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCCS2(=O)=O)n1 1705631326 AJPVMBFKWSSMEO-NHCUHLMSSA-N 490.630 1.970 30 10 JDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1705642295 OILDAAOVBKZZPP-VHXPQNKSSA-N 475.553 1.447 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1705661489 COPHDVCGLADILY-UWJYYQICSA-N 485.676 1.619 30 10 JDEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1705691203 BICQCPAPHPYJGW-STQMWFEESA-N 465.377 1.893 30 10 JDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCN(C(C)=O)CC1 1705882767 KBMXISOCVYPFOB-UHFFFAOYSA-N 456.547 1.477 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CCOCC2)CC1 1705898240 GEFLLJXYKMLVDD-UHFFFAOYSA-N 470.574 1.566 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705903842 WKYQYFGTABGBET-SFHVURJKSA-N 489.939 1.806 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1705907361 JYYFMSRDPMMFLA-GOSISDBHSA-N 490.511 1.882 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)CN2CCOCC2)C1 1705914136 HILFCHWPRGJQPV-RTBURBONSA-N 455.563 1.675 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1705932754 YTDVTNGQXMLNPA-UHFFFAOYSA-N 452.544 1.467 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(Cn2cccn2)CC1 1705935132 IBOQKNPMQZGBOS-UHFFFAOYSA-N 455.588 1.978 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1705937745 CWBLYLZLIDKOIA-UHFFFAOYSA-N 482.607 1.058 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1706746808 DXFYAVZVOKRKFZ-GFZGVUQPSA-N 466.608 1.291 30 10 JDEE Cc1nn(C)c(C)c1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1707799982 GRELJLUYQXTUTH-KRWDZBQOSA-N 455.544 1.476 30 10 JDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CC1 1710888869 GVEHJLACEGLGOU-UHFFFAOYSA-N 481.529 1.106 30 10 JDEE COCCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1712312477 DXZCVSVLHJVRPF-GOSISDBHSA-N 468.624 1.804 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)NC(C)C)c1 1722309852 QLGHQYYVDVUTAR-SFHVURJKSA-N 474.587 1.166 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722364910 JOJZABVSFPPENI-PXNSSMCTSA-N 476.672 1.992 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1722366167 GGEONSQHIIVQHC-HJNYFJLDSA-N 498.653 1.767 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1cc(Br)cn1 1722402402 MEKMRBZPWWOWBH-ZDUSSCGKSA-N 458.386 1.397 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(NC(=O)OC)c2)CC1 1722447661 LKCMWYVYBPOMFK-IBGZPJMESA-N 479.541 1.422 30 10 JDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOC)[C@@H](C)C1 1722459499 LOWLPWXFEWAJAS-FQEVSTJZSA-N 484.674 1.975 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(C)c2)CC1 1722523439 TXSYXCZNRQPUAB-HXUWFJFHSA-N 460.604 1.822 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1722536015 BGUBOGUPOCIPKF-RTBURBONSA-N 453.609 1.074 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1(c2ccccc2)CC1 1722698324 DBEFHVTWSZYZIK-LJQANCHMSA-N 488.614 1.081 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1722699655 WTNRRMBKLVSNEU-QGZVFWFLSA-N 496.634 1.224 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(N3CCCC3=O)c2)C1 1722710655 MJOOSIXAXBGEGV-FXAWDEMLSA-N 488.614 1.845 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC 1722726972 HLVKVCMPMQTVMI-MRXNPFEDSA-N 458.588 1.856 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1722730615 XIKBIZGTMDVWPT-UHFFFAOYSA-N 494.568 1.606 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1722751153 PWWZTDXNEUJYBQ-NRFANRHFSA-N 498.609 1.796 30 10 JDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@@H](C(F)(F)F)O1 1726722135 FCMDBNHIVVLAFK-QAPCUYQASA-N 494.474 1.744 30 10 JDEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N2CCSCC2)C1 1729764969 GRVCFEBISWKJNC-SFHVURJKSA-N 490.611 1.195 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)NC)C1 1740589730 AUUPAUZDTFWJNG-ROUUACIJSA-N 460.579 1.962 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740625987 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C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCSC2(CCOCC2)C1 1740995379 JRLJLCFHVZLMAH-ROUUACIJSA-N 486.660 1.705 30 10 JDEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1741004265 VHZAJGHKLSETMI-UHFFFAOYSA-N 457.604 1.757 30 10 JDEE C[C@@H]1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)CCO1 1742951135 GLKIZVHMYIHDPU-QUCCMNQESA-N 451.575 1.842 30 10 JDEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)c1=O 1746359611 APYYPLYCPHEJBB-XMMPIXPASA-N 461.526 1.660 30 10 JDEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1748481103 FOVNANXHRMTUQR-DHIUTWEWSA-N 489.598 1.674 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc2ccccc2[nH]1 1748670856 CYRXYCNYEBIGLI-UZLBHIALSA-N 456.572 1.793 30 10 JDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCN(CC)CC1 1748766426 PPFJNYAOVSEFJM-UHFFFAOYSA-N 458.010 1.959 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1748806012 YYCYLQMLUOXKLM-FUHWJXTLSA-N 450.536 1.816 30 10 JDEE 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C#CCN(c1nnc([C@H](C)CC)n1CCNS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358957418 UGRMVAXZOMGQEF-MSOLQXFVSA-N 479.628 1.397 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1358962577 SGGNIJLKGAILED-PXNSSMCTSA-N 458.588 1.656 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1358966764 WKNPKFVHXPGXSG-FQEVSTJZSA-N 483.598 1.782 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCC(F)(F)F 1358999796 CRSBVQJURYCYFS-CYBMUJFWSA-N 460.482 1.732 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2c(CC)nn(C)c2OC)CC1 1359039440 JHGZGQHEBGGXFI-UHFFFAOYSA-N 479.585 1.974 30 10 JDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1359054838 JPOCCSOUIPQJMG-GOSISDBHSA-N 475.644 1.932 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1359059826 BLJJUQLPYQJWTP-FQEVSTJZSA-N 459.664 1.372 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)CC1 1359091392 MQJTVKGBOBGGEJ-XHSDSOJGSA-N 480.557 1.554 30 10 JDEE 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C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C(C)C)N2CCCC2)CC1 1507884925 NUYSRRSJENVZLH-UXHICEINSA-N 466.652 1.888 30 10 JDEE CCc1nn(C)c(OC)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)[C@H]1CC 1513767239 DHOSYCFXMBJWLW-HXUWFJFHSA-N 478.557 1.796 30 10 JDEE CO[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1517770551 BFOUAJBWUJTPNT-LSTHTHJFSA-N 490.586 1.095 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCNS(=O)(=O)c1ccccc1 1539004509 UEIMLHGARBTKPD-OAHLLOKOSA-N 456.528 1.442 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OC1CCCC1 1539017040 XIOYFXZDXDGGBW-FXAWDEMLSA-N 488.614 1.834 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)N2CCOCC2)c1 1539043878 VUJFRBHMWPPILJ-FQEVSTJZSA-N 479.585 1.396 30 10 JDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1539089033 FIPDHXQPEKWOGU-UHFFFAOYSA-N 463.586 1.541 30 10 JDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1539148442 KWBBYXUMNJXBRR-YJBOKZPZSA-N 460.560 1.124 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1539218759 CNJMLWHSDIDOJM-IBGZPJMESA-N 453.572 1.464 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1539222901 YHUMIRXGQKUKEZ-MOPGFXCFSA-N 459.572 1.639 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1539327831 GCWBQVGOFPIGON-WCWDXBQESA-N 458.522 1.867 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CC1(S(C)(=O)=O)CC1 1539384760 ODJJFBOLKOYUMJ-UHFFFAOYSA-N 459.547 1.870 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(OCC(C)C)c2)CC1 1539429985 GIWPHAPJZHHHFT-IBGZPJMESA-N 474.631 1.727 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCc3sccc3C2)CC1 1539467689 XJITVBLFWLRORC-UHFFFAOYSA-N 483.642 1.502 30 10 JDEE C#CCSCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539497074 JNQZVHQGMLCCOA-QZTJIDSGSA-N 498.609 1.330 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1539802419 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C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1588055826 ZYZRGWVTGBVOOX-CXUOOODFSA-N 484.644 1.012 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)N(C)C 1588695899 JOFXEMIFTOQLBK-KRWDZBQOSA-N 484.623 1.328 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1588733475 URSJSMPGFNKSTA-KRWDZBQOSA-N 453.513 1.154 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(F)c(F)c2)CC1 1588890747 FPGPDVJKCJQLAP-OAHLLOKOSA-N 494.568 1.375 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1594097052 LGJKGOPGSXLONF-SJORKVTESA-N 477.553 1.990 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCOC2=O)cc1 1594962230 JNCKIFNOVSXHGI-SFHVURJKSA-N 476.559 1.238 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1S(C)(=O)=O 1595075247 BKOJAGVPJGGWBY-UYAOXDASSA-N 488.614 1.854 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1595405571 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C#CCN(c1nnc(COc2ccccc2F)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1689996626 KWTDJCOPBCPQTC-QGZVFWFLSA-N 458.519 1.405 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1690115054 PPSGLIAYXGOQGO-KRWDZBQOSA-N 473.484 1.290 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2ccccc2F)CC1 1690146447 NZGAJQKACBPPLF-SFHVURJKSA-N 468.533 1.317 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1690287948 BCWBWGDEKBNDIM-IBGZPJMESA-N 488.614 1.211 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1690288313 RLLJVTOMGHKQLE-IRXDYDNUSA-N 484.623 1.681 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1690661309 ZEQWIQROIUBFEY-QGZVFWFLSA-N 493.609 1.042 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1690731861 RVENQARMHCPKJV-IEBWSBKVSA-N 454.593 1.752 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1705495441 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1588433519 PSMBGALDKPMINQ-UHFFFAOYSA-N 452.603 1.644 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCOC)CC1 1589544962 KWHDUIGBDCBSSS-UFYCRDLUSA-N 495.646 1.140 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(C)(C)C(=O)NC)C1 1595713656 CUDBXTPQEKHBCS-INIZCTEOSA-N 475.619 1.792 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1595789189 OWCOOYKOFBSFQC-KBPBESRZSA-N 465.498 1.378 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1595798600 RBQJLPGOOCYDTJ-MRXNPFEDSA-N 465.601 1.407 30 10 JDEE CN(C)CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1617692152 IDYNQVAHSAAIHB-QHCPKHFHSA-N 455.538 1.945 30 10 JDEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1=O 1619927339 DWSIVSFVUMABEJ-TZIWHRDSSA-N 465.558 1.417 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccc(Cl)c(F)c2)c2nn[nH]n2)cc1 1632492914 XGIZITWRYUKTFM-MRXNPFEDSA-N 450.883 1.976 30 10 JDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)c(OC)cc1OC 1659645000 SQSFRYKBXIOMSU-LLVKDONJSA-N 452.348 1.277 30 10 JDEE CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)cc1)C2 1667154348 GTYSBIQDXJKOJJ-FQEVSTJZSA-N 459.510 1.836 30 10 JDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1682167214 ZAAKVKBMAXTVRH-JCECYMMASA-N 450.536 1.802 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCNS(=O)(=O)CC 1689847919 LEJIZAVQHGMSBG-MRXNPFEDSA-N 471.587 1.462 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OCCC)nc1)[C@H]1CCS(=O)(=O)C1 1689991076 VNOGFMCYGSHBPI-MOPGFXCFSA-N 459.572 1.641 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1689994357 WRKBHXRRAFAMOV-FPOVZHCZSA-N 483.642 1.874 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1690030488 VRYMAHBFKIQGSQ-UHFFFAOYSA-N 474.609 1.982 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1690101028 LJSWSFONWXCKMF-PZJWPPBQSA-N 472.615 1.939 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(=O)N2CCOCC2)CC1 1690112081 PKJUREYEYUWVRP-NRFANRHFSA-N 466.586 1.649 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccsc2)N(C)C)CC1 1690134756 DNXLHAZIURQSEF-HXUWFJFHSA-N 483.642 1.844 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC#C)Cc1ccc(F)cc1 1690175373 VQHFRGLYMZUNBE-HXUWFJFHSA-N 491.614 1.756 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC)[C@@H](C)C1 1690433014 QWLKNYOHHRZDBE-ROUUACIJSA-N 454.641 1.744 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCC(C)CC1 1690527492 PCVJOUFBQUEOHQ-LJQANCHMSA-N 454.641 1.745 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690663439 WSCNGTQNEDNDHC-UHFFFAOYSA-N 497.419 1.482 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1690674225 SZAOVHWJGXZUAO-UHFFFAOYSA-N 494.625 1.697 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1690675095 PCQQMRNDZXBPOC-UHFFFAOYSA-N 482.633 1.917 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(S(C)(=O)=O)CC1 1690723977 FRMHJJDOKPMYDY-IBGZPJMESA-N 496.611 1.405 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1C(C)(C)C 1690731596 NEDOLPXMUGESTO-UHFFFAOYSA-N 460.604 1.602 30 10 JDEE COc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cc1F 1697416773 HQRXTLXZJNAVON-BFUOFWGJSA-N 454.503 1.721 30 10 JDEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705511039 GUIIZBYSFZIBRD-HNNXBMFYSA-N 489.349 1.797 30 10 JDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(=O)NCC)CC1 1705525625 PIMOOFBPBXKQBD-UHFFFAOYSA-N 472.619 1.812 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1705560885 OENPXICYWRVEEP-IRXDYDNUSA-N 474.612 1.838 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705562047 XKORIVSXTGREOZ-IMSXRSKXSA-N 493.674 1.677 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1705570626 PEOWUFPSKONSNB-NYHFZMIOSA-N 477.537 1.252 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCN1CCCS1(=O)=O 1705578211 JXXSLJBUGALFFU-UHFFFAOYSA-N 457.556 1.461 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(C)C)cc1 1705612528 INZQKZCRXNABTD-FQEVSTJZSA-N 461.588 1.906 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1705652148 QZAZUKLEVRAOQD-UHFFFAOYSA-N 491.577 1.960 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1705652786 NNOABWXMHIVCBW-UHFFFAOYSA-N 459.576 1.478 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC=C(COC)CC1 1705896720 WBRNOVZMWRYGQM-UHFFFAOYSA-N 474.587 1.281 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705898984 FAPYQNSLJGZVCB-LJQANCHMSA-N 451.531 1.322 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1705936429 QQIQWKRNULACDD-HXUWFJFHSA-N 494.662 1.255 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1722360959 CUZPOWUHXZEDMY-SFHVURJKSA-N 485.610 1.887 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 1722363402 SHWJMYDMTNQQHK-SFHVURJKSA-N 493.033 1.467 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C(CC)CC)N1CCOCC1 1722397561 RUBKXSPVJFAWDE-FCHUYYIVSA-N 475.659 1.780 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCc2nnc(C)s2)CC1 1722433428 VAQSOKHZGWOLRT-JOCHJYFZSA-N 459.620 1.867 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1722435607 PXHSMRVOCATAOB-UHFFFAOYSA-N 450.568 1.688 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCn2cc(Br)cn2)CC1 1722447239 JWBJAZSMBPKEKP-INIZCTEOSA-N 476.379 1.407 30 10 JDEE C=C(Cl)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C)C(=O)[C@H]1C 1722545796 BNUVFXKAKJEQRK-CQSZACIVSA-N 451.984 1.966 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)nc1)C1CC1 1722651849 ZUIZPZWBCNHJLH-MRXNPFEDSA-N 452.968 1.863 30 10 JDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nc(-c3ccccn3)no2)CC1 1722682963 VJOIIDZGJZYRQK-CQSZACIVSA-N 458.548 1.903 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1722727765 LCUIZSHZFMOUTD-MRXNPFEDSA-N 451.597 1.652 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1722729455 KXRBRBPQRCGSAY-WIYYLYMNSA-N 477.606 1.766 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1722729850 YWFBEWRJBPGBAP-VGSWGCGISA-N 464.563 1.993 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1722759538 HLBITUUAXCFDES-NRFANRHFSA-N 495.584 1.282 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2CC(=O)NC(C)C)c1 1740563850 ZAFCKKHPRZZFEG-UHFFFAOYSA-N 477.525 1.587 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H]2CCOC2)c1 1740564281 HYJLIZGHNIGWIJ-OALUTQOASA-N 471.583 1.663 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1740592328 VTDOUCHDGQFLAS-PWRODBHTSA-N 490.674 1.411 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1740629612 TVDYYVLJJWGCMM-VJANTYMQSA-N 468.645 1.915 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)c(OC)c1 1740640684 TYKBZWPVGBSSBN-HXUWFJFHSA-N 457.556 1.049 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1740793908 ZFTISFAMKOQXGY-QHAWAJNXSA-N 459.639 1.817 30 10 JDEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740860548 HRSMQIQMZLEKCG-UHFFFAOYSA-N 471.591 1.749 30 10 JDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1740942924 SEHFGOBRZGLQOI-KBPBESRZSA-N 467.983 1.978 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CC(F)F)CC1 1740958614 FEAJMUXHOLGCCV-UHFFFAOYSA-N 486.527 1.364 30 10 JDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740962884 REXTYEIOBIVZDV-SFHVURJKSA-N 450.609 1.317 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(-n3cncn3)c2)C1 1740973184 SEHZUMQZZVXXLD-VQIMIIECSA-N 472.575 1.299 30 10 JDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1 1741136705 BSFARPBVQGHTFL-HZPDHXFCSA-N 479.628 1.899 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCOC)c1 1748692823 PMSKEAMJCGTBCN-GOSISDBHSA-N 459.572 1.663 30 10 JDEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(CN2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 1748801723 FCMNGBZNJMWCAL-JOCHJYFZSA-N 471.627 1.909 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1748810182 SRCGTUOZMXYVLY-SFHVURJKSA-N 473.599 1.743 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCS(=O)(=O)C1 1748858112 MPOISQVLOSOHDH-RTBURBONSA-N 491.614 1.484 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@H]2CCS(=O)(=O)C2)n1 1748970925 XPGHCTXSVKWYBE-GOSISDBHSA-N 469.571 1.258 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1749001160 KNCXRTDQJXZYED-JOCHJYFZSA-N 495.603 1.922 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCc2nn(C)c(=O)cc2C1 1749118434 GJHOUJJCKHHPRU-FVJLSDCUSA-N 458.563 1.640 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(cccc2OC)C1 1749229119 HLGNKBNRGICZKB-NRFANRHFSA-N 491.614 1.775 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1749427054 KJOQEQGCSQPCHF-IBGZPJMESA-N 495.675 1.664 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(c2cnn(C)c2)CC1 1749729814 SOICLPIPHKSYEE-UHFFFAOYSA-N 455.588 1.914 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC(=O)NC(C)C 1749735420 SEXMYXODDXKUKD-GOSISDBHSA-N 463.560 1.352 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1749738200 IOSVLNJNCATLFE-QFIPXVFZSA-N 494.639 1.781 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(C)c1 1749806062 GKABGYKWCORXEI-HXUWFJFHSA-N 469.571 1.487 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(Cl)c1 1760117980 WLCCBZVXEDYFAD-KDOFPFPSSA-N 467.979 1.779 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)CC=C)c1 1760128561 LWODAYDHIGNYAM-GOSISDBHSA-N 457.556 1.439 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1760137969 ONTGSLHFSGSSNM-PMACEKPBSA-N 476.647 1.117 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1760186768 QUUUUKVFEHTZQW-INIZCTEOSA-N 460.510 1.740 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C[S@@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1760187756 FWMRBSRTKVTXPG-QPHCHLROSA-N 471.608 1.827 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1760188488 AQFAXAZIZJEHDH-SIKLNZKXSA-N 474.656 1.328 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(N(C)C)nc1 1760196541 JFKPXZYVUHAQBT-UHFFFAOYSA-N 477.594 1.778 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC(=O)N1CCN(c2ccccc2)CC1 1760247488 CRASYWYPCVVSFH-UHFFFAOYSA-N 462.558 1.113 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC(=O)NCCC)CC1 1760270910 FKVGTCPMXKUVRW-UHFFFAOYSA-N 456.522 1.488 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1760315291 CGTDRZBRMQEKHS-RDGPPVDQSA-N 482.651 1.611 30 10 JDEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@H]2C1)c1ccccc1 1760417968 LCICAQPYAXNHIZ-QRQLOZEOSA-N 473.603 1.462 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1760464531 JGJBZPPIRDRGRJ-HKUYNNGSSA-N 474.587 1.286 30 10 JDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNS(=O)(=O)c1ccc(C)s1)C1CC1 1760477231 UEHKZKQRXRGWHH-HNNXBMFYSA-N 485.657 1.683 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1760540908 QWEOVLTYBQMZQC-LJQANCHMSA-N 457.556 1.538 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1760554533 GMNHLNJVUCZMJZ-WOJBJXKFSA-N 494.639 1.577 30 10 JDEE CCN1CCN([C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCNC(=O)C(C)C)C2)CC1 1765543416 GTJVQHCGMVTHAC-QFIPXVFZSA-N 464.618 1.805 30 10 JDEE CCN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1766769337 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CC(C)(C)OC(=O)N1C[C@H]2[C@H](NS(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2267350346 HOUKFEKNIDKFOH-FVQHAEBGSA-N 465.381 1.524 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCO1 2267467158 AOXMTFWFKSTNGX-ZDUSSCGKSA-N 489.425 1.803 30 10 JDEE Cn1nc(C(=O)N2CCOC[C@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267536268 IAJCYVFRYHJAPU-CQSZACIVSA-N 450.345 1.085 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 2267715683 AWTKYFJQOIFGEU-JOCHJYFZSA-N 460.409 1.662 30 10 JDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@@H]1NC(=O)OC(C)(C)C 2267728685 YONMPGFTIANPJO-GJZGRUSLSA-N 468.381 1.938 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268713385 WYXKFQBGDRRSEM-ZDUSSCGKSA-N 471.360 1.378 30 10 JDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)CCS(=O)(=O)C1 2268721765 PVWOOBQHLMRYGG-BTYIYWSLSA-N 470.397 1.905 30 10 JDEE CC(C)(C)OC(=O)NC[C@]12CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]1CCO2 2281976657 FBDDZISFKNMEBK-PEBXRYMYSA-N 462.356 1.465 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)n1 2282008414 JASLKQPIVKQXBX-IBGZPJMESA-N 453.396 1.406 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NC(CO)(CO)CNC(=O)OC(C)(C)C 2282140683 YIRPIYCCCJXCRO-UHFFFAOYSA-N 464.368 1.272 30 10 JDEE CC(C)(C)OC(=O)NCCN1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2282189330 IPAJHJBKFCIWEU-UHFFFAOYSA-N 460.384 1.663 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@H](F)C[C@@H]2CNC(=O)OC(C)(C)C)n1 2282506346 QWSYOFNCEVEXID-ZIAGYGMSSA-N 488.391 1.345 30 10 JDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2282535516 PINNOJJVJQNUFZ-HOTGVXAUSA-N 465.331 1.884 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)n1 2282628317 MXZVVPZLJYOSSC-AWEZNQCLSA-N 463.388 1.880 30 10 JDEE COc1ccc(C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2282657003 VHKHXVWNXBFXRP-HSZRJFAPSA-N 464.368 2.000 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2282684470 QYMCWPMKPDRQAL-ROUUACIJSA-N 461.368 1.785 30 10 JDEE Cc1cc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2282831031 DIDCYJZQRUKLNL-ROUUACIJSA-N 482.408 1.553 30 10 JDEE C[C@H]1C[C@@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1C(=O)OC(C)(C)C 2282841042 ROMOJGLIXZXMJD-KBPBESRZSA-N 485.416 1.181 30 10 JDEE CC(C)(C)OC(=O)NCC12CC(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)(CCO1)C2 2284060142 XWTIYIDXSFLOPL-UHFFFAOYSA-N 480.396 1.662 30 10 JDEE CCOc1ccc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@H](O)COc2ccccc2)cc1 2327749731 ZLAOYZXRBMUDGH-SFHVURJKSA-N 492.536 1.718 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2332921701 ODWRZWBHDWHMOH-KGKOLLKUSA-N 452.357 1.412 30 10 JDEE CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2343638531 DSYYMWKQODBZFY-LSDHHAIUSA-N 450.320 1.805 30 10 JDEE C=CCn1c(=O)c(=O)n(CC(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)c2ccccc21 33268753 KWVVMTMZGSAANX-UHFFFAOYSA-N 481.984 1.941 30 10 JDEE N/C(=N/O)c1ncccc1-n1cnc(I)c1I 305989256 DZBFUARVURIBFA-UHFFFAOYSA-N 454.997 1.571 30 10 JDEE CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 609000947 FEEMKVPMGWPQGI-MRXNPFEDSA-N 491.595 1.243 30 10 JDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@H]3C[C@@H]3C)o2)c(=O)n1Cc1ccccc1 610487504 NOZFRIJLHHNTBJ-LPHOPBHVSA-N 463.559 1.940 30 10 JDEE O=C(CSc1n[nH]c(NN=Cc2ccco2)n1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1084636971 RXAOHGJRGORJAP-UHFFFAOYSA-N 491.555 1.595 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1286384577 IPVJLVOCWMVJHW-BZSNNMDCSA-N 478.546 1.599 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1286386212 WMNDQUHMFOVQAK-AEFFLSMTSA-N 497.618 1.287 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCN1CCN(C)C(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1286390922 APILEXMJHUHCIW-IBGZPJMESA-N 450.653 1.129 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(-c2ccccc2)c1C 1286398545 ZJWKNDPNLYYQEN-SFHVURJKSA-N 465.583 1.812 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC1CCCCC1 1286409875 PUSHVYSCHKWLFZ-FQEVSTJZSA-N 463.604 1.423 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCNS(C)(=O)=O)CC1 1286471469 KLDSYBUQPUVHGO-QGZVFWFLSA-N 464.567 1.252 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1286478912 DJPJPEWUFKPXQT-FGZHOGPDSA-N 492.690 1.072 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CCCC2(C)C)CC1 1286663289 KBELLHVJUCNJHP-XMSQKQJNSA-N 467.636 1.955 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1286781276 PYUMYZIHYOOWPP-RBUKOAKNSA-N 465.558 1.697 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2C)C1 1286809158 GVOTXYWQZDFLSH-VQTJNVASSA-N 461.588 1.749 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(OC)CCCC2)C1 1286810855 WQBFMGFGDLQZRQ-ZWKOTPCHSA-N 469.608 1.352 30 10 JDEE Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)c(=O)n1C 1289664903 BZOATUHKZNKIPM-UHFFFAOYSA-N 474.569 1.082 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1300481611 AULLTCOZDROIAP-RDJZCZTQSA-N 487.561 1.853 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1300484260 PLMVYLOCUBDKFL-ZSYWTGECSA-N 454.593 1.180 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300490982 DCRMDOKXNOXQMG-RBUKOAKNSA-N 471.631 1.872 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1300495091 CODKBPUJUPNPKW-RBUKOAKNSA-N 457.556 1.294 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1300496348 PXDYLCUQKQDEPQ-IAGOWNOFSA-N 496.586 1.003 30 10 JDEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1300501329 JSUOTMJOVVVQNJ-WTPASJBYSA-N 473.624 1.746 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOC1CCCCCC1 1300537716 JIPBZWUHJCDBHU-FQEVSTJZSA-N 463.604 1.423 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1300699500 DONJJYXVGVZTAG-OAQYLSRUSA-N 484.626 1.124 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1300718307 JLIWYUUYUWPWFH-UHFFFAOYSA-N 475.553 1.065 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2ccc3c(c2)OCCO3)CC1 1300731513 QNXFEBQISRZEOK-UHFFFAOYSA-N 453.543 1.794 30 10 JDEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)COC)CC1)c1ccccc1 1301165605 ICTSYIQVHDUBRW-PMACEKPBSA-N 452.559 1.884 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncn(-c2ccccc2)n1 1301405507 SNNKWAWQJPLGPD-IBGZPJMESA-N 484.586 1.418 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1301457883 DTQITRKTYSVIAH-WAIKUNEKSA-N 489.577 1.587 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1301576026 PNYLJNOEYKMHIS-AWEZNQCLSA-N 482.404 1.975 30 10 JDEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCN(C)C(C)(C)C1 1303635174 BCEYJDFUZKRIOM-GOSISDBHSA-N 477.617 1.956 30 10 JDEE CCN(CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1313718861 DRBZDARWZBBIMZ-MOPGFXCFSA-N 488.662 1.817 30 10 JDEE CN(Cc1ncnn1CC(F)F)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1314776967 HKIABDVWUJVBLB-UHFFFAOYSA-N 455.473 1.836 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1358870884 WBUXOUBMQJAMIB-SJLPKXTDSA-N 472.977 1.814 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1358913107 FVXJFNHPNWSYKX-ZWKOTPCHSA-N 482.607 1.129 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCN1CCN(C(C)=O)CC1 1359014892 ATNHBDHJPGBLHS-UHFFFAOYSA-N 469.565 1.359 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1359028592 XMNLNXVESXKKIC-GOSISDBHSA-N 461.611 1.721 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ncnn2C(C)(C)C)CC1 1359031545 HAWHZVPGBHVLHW-UHFFFAOYSA-N 482.614 1.499 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nc(C3CC3)cs2)CC1 1359040585 BBQYJCYAJKFJHX-AWEZNQCLSA-N 491.643 1.236 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1359077645 HTDHCFBANZZFLY-XEZPLFJOSA-N 464.386 1.181 30 10 JDEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1359085095 BDCWBHLYKOTLFM-UHFFFAOYSA-N 474.407 1.917 30 10 JDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359141656 OAFXZCMYROFHEM-HNNXBMFYSA-N 458.910 1.445 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCSC1 1359277496 NOOXCNPZSOJUTO-WIYYLYMNSA-N 497.643 1.307 30 10 JDEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC(=O)NCCOC)CC1 1359286959 CQYRKNWIVRKXOU-LJQANCHMSA-N 491.637 1.463 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1nncn1C 1359292785 XUOFKFRWUKNKLC-KRWDZBQOSA-N 483.964 1.634 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)(C)C 1359300445 BPOKPVKWACPFEE-INIZCTEOSA-N 493.609 1.240 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1359303984 HLMSUDLXHYTMEO-UHFFFAOYSA-N 468.558 1.325 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCCC(C)(C)C2)C1 1359313053 GAOIBKMGBJSWKH-ZWKOTPCHSA-N 454.641 1.792 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1359328263 YQYKHTPLMVKMLS-NQIIRXRSSA-N 475.615 1.711 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CC(=O)N(C)C[C@@H]1C 1359335136 BVGNWPIAYSINDQ-KRWDZBQOSA-N 461.588 1.687 30 10 JDEE CC(C)NC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1360283896 GAXAMFIUKFNSMB-UHFFFAOYSA-N 484.992 1.890 30 10 JDEE C=CCNC(=O)CNC(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1 1446849929 RWZJSZHYLVCOLV-KRWDZBQOSA-N 457.556 1.531 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C(=O)OC)c2ccc(OC)c(O)c2)s1 1467264615 BMUCWIJSFYAVSB-GOSISDBHSA-N 454.526 1.500 30 10 JDEE CCN(CC)Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 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C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(CC)nn(C)c1OC 1507821380 ZVYWPWGAYAOWON-GOSISDBHSA-N 481.623 1.366 30 10 JDEE C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1507828699 CARXEFIEZBWDBU-IKGGRYGDSA-N 477.591 1.381 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)CN2CCCCC2)CC1 1507885167 UBTOPYKZKAVJRC-UXHICEINSA-N 466.652 1.889 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1507954834 QJLAQTBNTNLEOG-UXHICEINSA-N 472.615 1.495 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(N(C)C)CCCC2)C1 1508127703 WEKCKRVRTKUYAO-OALUTQOASA-N 482.651 1.267 30 10 JDEE Cc1c(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCO[C@H](C#N)C2)cnn1C 1510499697 GNJWEACCNMXBJO-GOSISDBHSA-N 470.559 1.014 30 10 JDEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1525975311 UOBZXCGSIVBLFZ-KGLIPLIRSA-N 450.298 1.615 30 10 JDEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1539215964 MAPHVOPASJQISH-MRXNPFEDSA-N 454.556 1.200 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1539230674 OTFQDSODJRBKKI-FQEVSTJZSA-N 456.547 1.954 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539291406 PUJHGSQWYQZTFE-UXHICEINSA-N 495.609 1.593 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC[C@@H]1CC 1539325060 AZCMYVHGSAUWTB-LEWJYISDSA-N 476.647 1.338 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccn2)CCC1 1539416536 OUSLLJRVDIRMDO-IBGZPJMESA-N 488.614 1.214 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1539434397 KUMARWJQGPKFDB-NRFANRHFSA-N 499.685 1.130 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCn2ccnc2C)CC1 1539459872 QRADZKZENHBUOD-UHFFFAOYSA-N 452.588 1.620 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1Cc1cccc(S(=O)(=O)NC)c1 1539532911 FZZBAKBGFWKINM-JOCHJYFZSA-N 456.572 1.463 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1539599247 BMSBKDGDFYNXTH-JJXSEGSLSA-N 490.424 1.238 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1539601278 YNNHFEMPMAAMRL-QGPPMGRFSA-N 490.424 1.117 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1539798315 DVWQGPYDEHJTKT-CABCVRRESA-N 464.958 1.784 30 10 JDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1540027235 TWXADFIBUKJOFI-RXVVDRJESA-N 456.595 1.260 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C)(COC)CC1 1540864618 GFANZPHCJCMCCD-UHFFFAOYSA-N 490.630 1.751 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](CN2CCOCC2)C1 1540875322 IANQYARWJTZWHW-LJQANCHMSA-N 472.565 1.847 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(N(C)C)CCCCC2)C1 1540892587 OJYXYJARPNSKSN-WOJBJXKFSA-N 496.678 1.657 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccnc(C(F)(F)F)c1 1541926928 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CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@](C)(C#N)C1 1617308705 BTESJEMVHJNTDI-FQEVSTJZSA-N 465.601 1.913 30 10 JDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C1 1618634709 FGSOUOSIBVEDPV-LJQANCHMSA-N 456.572 1.604 30 10 JDEE C#CCC1(NC(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CCOCC1 1645728970 AFVGVOMZCQOBCN-UHFFFAOYSA-N 450.557 1.985 30 10 JDEE C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)CC1 1658099773 FJARHOUFINBDRV-UHFFFAOYSA-N 458.588 1.194 30 10 JDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2c[nH]c3c(Br)cccc23)CC1 1667521936 YQSKPALSKLHYPX-UHFFFAOYSA-N 453.362 1.376 30 10 JDEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)NCC#C[C@H]3CCCCO3)cc2)CC1 1676871399 ZKWPTNLHKBQNDG-HSZRJFAPSA-N 456.587 1.644 30 10 JDEE CCOC(=O)C1([S@](C)=O)CCN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)CC1 1686076702 ALSAGTMWPSESTC-YTTGMZPUSA-N 457.556 1.945 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689978427 VHPLFHAEPJTCAM-JKSUJKDBSA-N 453.634 1.575 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCSCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1689988969 ZREIREBDYVFPCP-HKUYNNGSSA-N 491.614 1.928 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cn(CCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1689991046 UYRMCEYTOJZFBJ-ICSRJNTNSA-N 460.604 1.762 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689993206 XUCGGQBHFMLHSU-MRXNPFEDSA-N 499.515 1.183 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1690006569 SVOYCMMFJYMZRY-YKSBVNFPSA-N 483.594 1.606 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690013486 QFBUIIOHKHIMNS-QFIPXVFZSA-N 451.508 1.223 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3F)n2C[C@@]2(O)CCOC2)n1 1690109257 MAPXYIXIORWDNV-QHCPKHFHSA-N 454.506 1.718 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690632691 LAMPSJIXPLZNSY-UHFFFAOYSA-N 487.630 1.126 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690644394 INFVFMVGFRUPOW-HZPDHXFCSA-N 455.581 1.786 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1690669508 HMGFPAWSSDVFOQ-MRXNPFEDSA-N 464.530 1.201 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)N2CCSCC2)C1 1690710889 YLHSOAJNZHQFPU-LJQANCHMSA-N 478.644 1.424 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCSC2)C1 1690747284 XLGQRQCGVURRDU-APWZRJJASA-N 473.690 1.864 30 10 JDEE CC(C)c1csc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)n1 1691618284 CHHVNGAXUHKFKQ-ZBFHGGJFSA-N 467.621 1.978 30 10 JDEE CC[C@H](C)NC(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1694217471 CTKXHNWWFKJIHS-KRWDZBQOSA-N 460.546 1.633 30 10 JDEE CC[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1)N1CCCC1 1694374394 BSRSVOHBJALFAS-RTBURBONSA-N 458.588 1.952 30 10 JDEE CCCNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1695420501 FFXKMYSRPSUVSR-QGZVFWFLSA-N 485.614 1.970 30 10 JDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CSCCS2)CC1=O 1698084802 AHQHMIIMCAOFDB-SFHVURJKSA-N 458.613 1.960 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCSCC1 1705481230 BRQRAUVRMBVBTR-QGZVFWFLSA-N 462.645 1.702 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1705526581 MQVTUMSJMQCCKD-QZTJIDSGSA-N 459.528 1.723 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1705533393 XDJONNDUNQZVFS-QZTJIDSGSA-N 475.619 1.983 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1705560469 KXRVFGLHZJBLRU-SJORKVTESA-N 477.562 1.709 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1705562762 JVNHSFYLXJGXCJ-MRXNPFEDSA-N 475.571 1.114 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705563342 VOFMDNTZIVIGOD-TZIWHRDSSA-N 487.626 1.549 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccnc1OCCC)[C@@H]1CCS(=O)(=O)C1 1705567526 XEIHUACACJDXCJ-RBUKOAKNSA-N 459.572 1.641 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1S(C)(=O)=O 1705862020 WHJHOSSLBUDYHE-RTBURBONSA-N 458.588 1.846 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1705899540 WUTMVYXEUGTKRD-DYESRHJHSA-N 469.565 1.375 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1705903604 YTSJDHXEIXFPDL-HNNXBMFYSA-N 458.485 1.717 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705905279 PPZULWUXMKRYDN-UHFFFAOYSA-N 453.934 1.481 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CC[C@H]1C2 1705931301 LUWAZISFRDXHKA-WMZOPIPTSA-N 479.628 1.785 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(F)cc1)N(C)C 1722353212 UHVFBAPWRRPJCR-MOPGFXCFSA-N 464.567 1.122 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1722361666 ITNOOXUDNJUDOE-AKCHCHLHSA-N 465.963 1.160 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722362447 USIFCRAJEYYISE-SFHVURJKSA-N 461.588 1.496 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1722364512 LICUJIKDAVNMIO-HZPDHXFCSA-N 450.536 1.955 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(NC(C)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1722364831 JJSZWZXOGHKYSU-LJQANCHMSA-N 499.622 1.662 30 10 JDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1722365526 FKJRMAFUHCRKPI-PXNSSMCTSA-N 487.582 1.190 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1722367191 KUVGRHNECKUVBZ-OAHLLOKOSA-N 472.958 1.571 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(F)(F)C2(OC)CCOCC2)CC1 1722442166 ZMOFRUBOIGWHHL-UHFFFAOYSA-N 496.559 1.213 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@]2(N(C)C)CCSC2)CC1 1722443713 MMNKJXCRWVJJSG-BJKOFHAPSA-N 490.674 1.333 30 10 JDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1722523243 JEQYRZCLVGKPPQ-KRWDZBQOSA-N 461.592 1.136 30 10 JDEE C=C(Cl)Cn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722556520 BTHSYESMVURXEW-IIBYNOLFSA-N 466.970 1.838 30 10 JDEE C=C(Cl)Cn1c(COCC)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1722557692 SCJNZCGZPOFTEA-KFWWJZLASA-N 475.999 1.694 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)C 1722656940 LZKFFFCWAOZWLN-RXVVDRJESA-N 487.630 1.625 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1722751190 QWXBOGCFGHGESM-SFHVURJKSA-N 459.572 1.756 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccccc1Cn1cccn1)[C@H]1CCS(=O)(=O)C1 1740615751 KNKJXOYXAAEZBP-NRFANRHFSA-N 495.609 1.336 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](SC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740617574 TUBLCLFPMANUAO-JYJNAYRXSA-N 491.705 1.293 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740622240 WIDJDMRULYOQSB-GOSISDBHSA-N 458.588 1.359 30 10 JDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCN1CCCO 1740669020 JEBCRCKQFRICTE-SFHVURJKSA-N 459.620 1.545 30 10 JDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1Br 1740680278 XAKCGIMMLRXFKY-AWEZNQCLSA-N 470.393 1.785 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(c3ccc(OC)cc3)CCC2)CC1 1740689770 CUKBQEATMUOVFU-LJQANCHMSA-N 486.642 1.774 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCN(C)Cc2ccccc2)CC1 1740700902 MSKYPXYMZFMVRR-UHFFFAOYSA-N 465.602 1.514 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)OC)CC1 1740995535 PCYLLMMPEUDAJD-IAGOWNOFSA-N 469.608 1.686 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2nccnc2C)C1 1746551343 DMMRSBNUDCWVFN-FQEVSTJZSA-N 496.597 1.588 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCCN1CCOCC1 1748651266 KMFMMPFXZCFZRR-LJQANCHMSA-N 474.631 1.766 30 10 JDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1748732106 SOUBJZSUWOYFQS-GOSISDBHSA-N 455.950 1.831 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C)nn1C 1748940784 QIGFTQVBWADSME-INIZCTEOSA-N 459.551 1.757 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1748949466 AXZIOBHJMOHXFP-IERDGZPVSA-N 466.535 1.193 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1749136458 NQWZMLWWUIVQFC-QUCCMNQESA-N 463.608 1.203 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1749170883 UXAWZGIOSQXHTA-CEXWTWQISA-N 481.667 1.091 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1749193362 GOSNIPSQNMLHSO-FQEVSTJZSA-N 494.662 1.806 30 10 JDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1749456279 AIJYXRHROGTOEX-QGZVFWFLSA-N 456.551 1.256 30 10 JDEE C=CCN(CC=C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1749560625 SUXNAWZCMIEENF-ZWKOTPCHSA-N 450.609 1.799 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1749660456 POIDYNKLACKHDD-LJQANCHMSA-N 476.585 1.252 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccccc2OC)CC1 1749663656 MCOUZTDNQQFZRY-UHFFFAOYSA-N 450.547 1.312 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1749680185 GEGCNDYSIDHHKG-KRWDZBQOSA-N 458.538 1.992 30 10 JDEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 1749686777 YKIWERLBBKJGRA-GOSISDBHSA-N 452.559 1.627 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1749721429 JRVWCVVLTYTQHW-JOCHJYFZSA-N 477.562 1.352 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1749727507 WGBHZWHJWYIWKU-IBGZPJMESA-N 454.556 1.619 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(OC)ccc1OC(F)F 1760115937 CZDYKJTYVUQREB-KDOFPFPSSA-N 499.540 1.727 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC2(S(C)(=O)=O)CC2)c1 1760125663 KSNHKQPAPIUYJR-UHFFFAOYSA-N 465.539 1.369 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(c2ccccc2OC)CC1)[C@@H]1CCS(=O)(=O)C1 1760181980 GERHDXVUYYSVJE-GOSISDBHSA-N 485.610 1.783 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1760183188 OULSKDPCOFUJSK-QGZVFWFLSA-N 464.613 1.654 30 10 JDEE C#CCN(c1nnc(COCC)n1CC(C)(C)N1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1760193406 ZBYZEBAFIBBKJK-SFHVURJKSA-N 467.636 1.331 30 10 JDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccnc1N1CCOCC1 1760196449 ODESLAAZUQSGBJ-RUZDIDTESA-N 464.570 1.671 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(C(F)(F)F)c1 1760206022 PEPYZAXCFIBDHS-INIZCTEOSA-N 482.488 1.146 30 10 JDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1760251289 VYUVWJDSXYBDNF-OAQYLSRUSA-N 465.476 1.937 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(CC)s2)CC1 1760260795 BSJSSLYEZNHOSJ-IBGZPJMESA-N 478.644 1.038 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cc3ccccc3[nH]2)CC1 1760266135 QMYMGOVIZSXSSM-KRWDZBQOSA-N 497.625 1.578 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CC(F)(F)CO2)CC1 1760266166 RDQSAOSARLAOML-DOTOQJQBSA-N 455.506 1.392 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2([S@@](C)=O)CC2)CC1 1760267260 XLXIXFOJKHKUFB-SSEXGKCCSA-N 493.431 1.913 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760276081 SCSLUENLCAULAT-INIZCTEOSA-N 468.626 1.338 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)CC(N)=O 1760318940 QHYSLRNNBDPFPQ-CDXJDZJCSA-N 490.630 1.877 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCNC(=O)c2ccc(C)cc2)CC1 1760389984 YFAMDWVSORQNNJ-HXUWFJFHSA-N 488.614 1.506 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1760428250 RQXYSWICJIYLSD-RBUKOAKNSA-N 482.651 1.660 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@@](O)(c3ccc(F)cc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760528975 SDZCYSBRNNZDDE-BJKOFHAPSA-N 473.549 1.858 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1760557643 SJHFKPCYZDQGKQ-UXHICEINSA-N 473.599 1.748 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2CCOC[C@H]2C1 1760558149 HMNPYADNZYPSTA-GUDVDZBRSA-N 467.636 1.318 30 10 JDEE CN(C)C(=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)CCCC1 1766845794 DHDGAMJPXQMJQJ-LAUBAEHRSA-N 462.620 1.959 30 10 JDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CCCCS1(=O)=O 1767936028 BFIYHZPBPRCEPW-LJQANCHMSA-N 458.588 1.980 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1768264232 AGYLIGIQQUMRJO-PMACEKPBSA-N 485.614 1.736 30 10 JDEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1861599268 LDDRPNYTXVFGRD-FXAWDEMLSA-N 465.506 1.561 30 10 JDEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CSc2nccn2C)cc1=O 1870302423 PXTAWSFFLDLCHY-UHFFFAOYSA-N 458.565 1.776 30 10 JDEE CCOc1cc(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Br)ccc1O 1873526890 BLPUWBULFNIKGJ-KEGHGJGQSA-N 471.333 1.916 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255639215 OHQUBUMHYOKBQQ-ZDUSSCGKSA-N 453.370 1.808 30 10 JDEE C[C@@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255794262 JJIGWOCMGKDFQM-ZDUSSCGKSA-N 458.390 1.158 30 10 JDEE C[C@H](CN(C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255943865 XGDZUPPSPVSCDB-CYBMUJFWSA-N 458.390 1.253 30 10 JDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H](COCc2ccccc2)C(=O)O)OC1(C)C 2256902375 UNCYGZWXCDESBG-INIZCTEOSA-N 467.374 1.996 30 10 JDEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2257589397 GFKCIDJPJIBENR-ZDUSSCGKSA-N 455.386 1.790 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]1(CF)CCN(C(=O)OC(C)(C)C)C1 2267266592 QNTXZYIFMNJDFW-FQEVSTJZSA-N 453.324 1.193 30 10 JDEE CN(Cc1ccccc1)CC(C)(C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267354794 ROPAVTNDKJJQSK-UHFFFAOYSA-N 463.413 1.303 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 2267372591 QJLYTURSSUDOHA-FQEVSTJZSA-N 470.401 1.397 30 10 JDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](CO)CNC(=O)OC(C)(C)C 2267706108 RITWLRLKLJOWKU-INIZCTEOSA-N 470.397 1.458 30 10 JDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267706636 CBBCWTLTJLLOEW-ZDUSSCGKSA-N 491.441 1.090 30 10 JDEE CON(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267708941 TWGRKZMTXKFGEX-UHFFFAOYSA-N 489.425 1.755 30 10 JDEE CC(C)(C)OC(=O)NCC1(O)CN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267710436 VJPLCPCRPBJBBE-UHFFFAOYSA-N 468.381 1.246 30 10 JDEE CN(CC[S@@](C)(=O)=NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267871200 MUPDNPWRVRNXOZ-JGCGQSQUSA-N 468.385 1.881 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](NC(=O)C(F)(F)F)[C@H](C)C1 2281980578 JZVUGAMAIWWREN-TZMCWYRMSA-N 458.290 1.731 30 10 JDEE CC(C)(C)OC(=O)N[C@@]12CC[C@@](CNC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)(C1)OC2 2281987258 YRXJAAZLRRPINK-VXKWHMMOSA-N 462.356 1.655 30 10 JDEE Cn1nc(C(=O)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282040869 OSNXEDWUNDFJQR-OAQYLSRUSA-N 484.790 1.474 30 10 JDEE C[C@@H]1[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCCN1C(=O)OC(C)(C)C 2282350030 HEMGIKFNLVATEN-HUUCEWRRSA-N 484.428 1.786 30 10 JDEE C[C@@H](NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2282350643 PUSRRKMLIHMERQ-OAHLLOKOSA-N 482.408 1.634 30 10 JDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)(C(N)=O)C1 2282396062 UYBMQKOVTNUBHT-UHFFFAOYSA-N 463.315 1.330 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282861009 JGLOLQXVPSPKMH-MSOLQXFVSA-N 482.408 1.634 30 10 JDEE Cc1nc(NC(=O)[C@H]2CO[C@H](CNC(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2283968790 GSSIBIMONNEHKD-CABCVRRESA-N 462.356 1.953 30 10 JDEE Cc1cc(CNC(=O)[C@@H]2[C@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2284131823 YUTPCPMHRMPDED-HRCADAONSA-N 482.408 1.313 30 10 JDEE CCc1cccc(OC[C@@H](O)Cn2c(NN=Cc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)c1 2318436449 NSFCRLBXRZESRS-IBGZPJMESA-N 476.537 1.882 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 2359271540 OVUJPHPJMCBKKF-ZNMIVQPWSA-N 461.372 1.632 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1 2359277675 LRRDKTYXDFIGGQ-FVQBIDKESA-N 464.372 1.113 30 10 JDEE C[C@@H](C(=O)O)N1CCN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)CC1=O 757471251 PVCDQFHSVHEAFI-KRWDZBQOSA-N 475.501 1.672 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)NCCN2CCc3ccccc32)ccc1F 919074756 GPEYTJLFHWPMKG-UHFFFAOYSA-N 461.515 1.626 30 10 JDEE COc1ccc(Br)cc1C=NNc1nc(SCC(=O)Nc2nc[nH]n2)n[nH]1 1084337924 MTRLQQTYPKNJFH-UHFFFAOYSA-N 452.298 1.871 30 10 JDEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccccc3O)n2)cc1 1084437063 UVGWGZTYCRRNJR-UHFFFAOYSA-N 475.556 1.985 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCN(CCN(C)C)CC1 1286284208 ZIUDJKJMVLJDGC-LJQANCHMSA-N 462.606 1.652 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1286420018 KHMZRZKSOMKZOP-CEXWTWQISA-N 492.646 1.997 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCCS1(=O)=O 1286423680 MPQGAGQSTPVRAI-UHFFFAOYSA-N 455.540 1.215 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2cccc(C(F)(F)F)n2)CC1 1286480387 NBDBVKYERGSXOJ-MRXNPFEDSA-N 498.531 1.428 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C(C)C)CC1 1286553014 CDPSQGVSJZPZRU-UFYCRDLUSA-N 479.647 1.856 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1286776241 LNHVPOIOBAGTSH-GHTZIAJQSA-N 482.006 1.634 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1286788642 APEJNWAMXOIWHT-NRFANRHFSA-N 455.582 1.526 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1286797866 CUVLQTNPBAYGGI-SFHVURJKSA-N 497.581 1.663 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1286813875 DZHUFPLYLIAGMS-ROUUACIJSA-N 489.554 1.862 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(OCC(N)=O)c1 1300311225 RCSSYTAINWPVQN-PXNSSMCTSA-N 498.584 1.957 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(CS(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1300491218 FEUDRJRNYIINLM-FQEVSTJZSA-N 476.624 1.765 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1c(CC)nn(C)c1OC)[C@H]1CCS(=O)(=O)C1 1300495677 JHQPONQNQCLHKZ-QFBILLFUSA-N 476.603 1.499 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2CC(=C)Br)n1 1300681709 ZHFWGGKYKRPCAP-INIZCTEOSA-N 462.352 1.621 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](C)N2CCOCC2)CC1 1300710159 UUNQEIDWVOWPCJ-HXUWFJFHSA-N 454.575 1.342 30 10 JDEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)CC1)c1ccccc1 1301162775 BNIUDMJHVXIRAN-AEFFLSMTSA-N 467.617 1.483 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1301576829 BMLNPGINFIZIGP-UHFFFAOYSA-N 468.583 1.913 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](C(N)=O)C1 1301576949 IYXZHWRJYFJEQY-INIZCTEOSA-N 461.544 1.019 30 10 JDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCCS(=O)(=O)C[C@@H]3c3cnn(C)c3)n[nH]2)c1C 1303543664 MARFJSWISDZFJF-LJQANCHMSA-N 457.560 1.812 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 1316138529 DFGYNYLNVXGEKX-QFIPXVFZSA-N 458.588 1.365 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1358904803 MFGKNIOVJNWYMQ-GOSISDBHSA-N 464.636 1.921 30 10 JDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1358910590 VKQGNMVQQWHPDU-UHFFFAOYSA-N 493.659 1.560 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1358956027 YQZUEYAYNAYMGW-RDJZCZTQSA-N 453.634 1.576 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCc1nccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1358961358 XFWASCOJSOZFPO-HNNXBMFYSA-N 493.515 1.962 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(Cl)cc2OC)CC1 1359045017 UPUDPXOWCUTWFA-GOSISDBHSA-N 470.961 1.905 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCCN2CCCC2)CC1 1359045931 YKXKUXQDPTZFIS-NRFANRHFSA-N 490.674 1.412 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCN2CCCC2)CC1 1359047962 ZTBNOKOQOUYRSP-UHFFFAOYSA-N 466.586 1.927 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cncn2)CC1 1359083293 GYVTYXADIDUDAZ-HNNXBMFYSA-N 470.397 1.597 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(OC)c(OC)c(OC)c1 1359240084 FQSDLTHUFBQRSE-SFHVURJKSA-N 481.575 1.307 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(S(C)(=O)=O)cc1)C1CC1 1359251467 LSSDEIZMOUZNAZ-IBGZPJMESA-N 495.627 1.218 30 10 JDEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359261745 VCXCSAYTBAZGNX-FQEVSTJZSA-N 465.601 1.318 30 10 JDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1359283298 HXFJDBDGNGZSTO-SOLBZPMBSA-N 450.613 1.327 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1359287400 BHQFTQIJXRXHJR-HZPDHXFCSA-N 470.596 1.243 30 10 JDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1359289174 HXFYFSJBCYUBPN-HKUYNNGSSA-N 471.631 1.835 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCCC[C@@H]2C1 1359293932 FBMOYFAHFWIUJN-LJQANCHMSA-N 487.630 1.172 30 10 JDEE 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475.347 1.439 30 10 JDEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NCC)CC1 1539793650 IBQRPKCUKLZKLW-UHFFFAOYSA-N 456.938 1.796 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCc3c(ccnc3N(C)C)C2)nnc1[C@]1(OCC)CCOC1 1540908506 IFNRTEHNLUPKEU-QHCPKHFHSA-N 490.630 1.555 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2)c(F)c1 1541104944 CPRDDYDGNLRQBN-CABCVRRESA-N 460.539 1.857 30 10 JDEE Cc1cccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2CC(=O)NC(C)C)n1 1542628211 AXBKPYIVIMNCMS-QGZVFWFLSA-N 460.546 1.550 30 10 JDEE CC[C@@H]1[C@@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1546605450 BWKUIPSPDDXXOV-DKZVUGQWSA-N 459.572 1.903 30 10 JDEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1S(=O)(=O)c1c(C)noc1C 1548369205 LHQFDLGWJPWAIQ-MRXNPFEDSA-N 471.461 1.807 30 10 JDEE CO[C@H]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1555135509 FMISKFXIFWIRBR-MOPGFXCFSA-N 452.563 1.825 30 10 JDEE N#Cc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)N2CCSCC2)c1 1555986782 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C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(N)=O)c(Br)cc1F 1659673598 WKAHZCPSUWVJPU-VIFPVBQESA-N 455.327 1.051 30 10 JDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1)[C@@H]1CCCO1 1681811789 BEZUVTWQCQHMOL-IRXDYDNUSA-N 456.362 1.646 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(=O)(=O)CC 1689931898 LIZZJSHWVSSJMI-KRWDZBQOSA-N 469.608 1.871 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CC1(SC)CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 1689994345 WORNCFOXZIMIMJ-GOSISDBHSA-N 451.662 1.685 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690011958 KIRYBQBZDWXSAK-LJQANCHMSA-N 463.567 1.485 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1690174319 BLMWPABKKYJGET-BZSNNMDCSA-N 490.630 1.668 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1690328224 HJWQUYDBUCTIPW-LSDHHAIUSA-N 460.004 1.223 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1690673867 HURSGLWEDYDCNU-NRFANRHFSA-N 487.674 1.464 30 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471.649 1.391 30 10 JDEE Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(c3cccc(F)c3C#N)CC2)cn1 1693087727 AUBGGPQMISPPCQ-KRWDZBQOSA-N 498.588 1.977 30 10 JDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)(F)F)cc1C 1693146126 HIJMOXXJBVQNSN-MRXNPFEDSA-N 452.437 1.881 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1705567263 VDNDKPHJDVFVIC-RTWAWAEBSA-N 490.651 1.830 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)F)c1 1705583134 RBYWUKDCRNAXSD-SFHVURJKSA-N 463.510 1.670 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCO[C@@H]1C 1705590898 YZZWSERFTPGKLT-JPYJTQIMSA-N 470.599 1.549 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1705631103 RUOQPDBWHZQLOX-XYSPVOGPSA-N 470.574 1.809 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccccc2F)CC1 1705643491 HZMUBKWQZXYDJN-UHFFFAOYSA-N 452.534 1.862 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)c2ccco2)CC1 1705644569 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1722334505 YERVNRQJFGXCSG-FQEVSTJZSA-N 467.599 1.492 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1722358723 FDJALQAGRIOTPK-PMACEKPBSA-N 472.571 1.964 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722367757 OADQOBTXNIQBNT-WJFTUGDTSA-N 484.644 1.012 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1722367884 OPZVQGZDYWJSRN-UAGQMJEPSA-N 497.668 1.376 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1722369508 AGIRRDZRTMQDAC-ZOKDDAQRSA-N 485.031 1.906 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1c2ccccc2C[C@@H]1C 1722413754 RDOIFQMRKRLBNS-RXVVDRJESA-N 472.615 1.522 30 10 JDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCCO2 1722421884 NVTVNJRAROQQGA-INIZCTEOSA-N 463.560 1.184 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1722448901 CFYCCOVEAWDREK-AREMUKBSSA-N 478.597 1.516 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1722508249 RIHBVGZMUAFNMQ-MLYOOKFZSA-N 480.635 1.318 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1722519137 LBYOROPRZAESKD-AWEZNQCLSA-N 451.553 1.160 30 10 JDEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C(N)=O)CCOCC1)C1CC1 1722645799 ZTJJBNFXUKDJON-UHFFFAOYSA-N 488.614 1.632 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCS1(=O)=O 1722657911 BDAGJWWAIJBYKH-LJQANCHMSA-N 479.628 1.408 30 10 JDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1722669668 XUEGEEGAJMPDAB-UHFFFAOYSA-N 456.510 1.913 30 10 JDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722682219 XOTKTNAKYZRRBF-UHFFFAOYSA-N 466.995 1.908 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1722701109 GKNPEUFVDWWLEL-UGKGYDQZSA-N 468.602 1.531 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1722702337 HZKPWVCXFGIRJR-DWLFOUALSA-N 471.558 1.891 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@H](N3CCN(C(C)C)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722704629 VWQICLRKRUHYAO-SQJMNOBHSA-N 489.665 1.226 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1ccon1 1722727885 PBMGJCUTQYUQAS-UHFFFAOYSA-N 455.500 1.819 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1723660014 BEYCKVMCRAGFOJ-GOSISDBHSA-N 495.613 1.650 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(SC)CC2)CC1 1728669687 GJHWJOLTVZXSKE-UHFFFAOYSA-N 469.615 1.882 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCC(O)CC1 1740540796 ZHLFNOXZGBPZBQ-GOSISDBHSA-N 474.631 1.500 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1740592281 UVNBTOFECANXNM-IBGZPJMESA-N 499.597 1.700 30 10 JDEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740619313 HQUFHUSTTYMCGU-LJQANCHMSA-N 480.594 1.892 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1740623871 CCFSQCAUMSPONP-INIZCTEOSA-N 490.540 1.542 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CCCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1740624571 JTOQFYDBIHRDON-QGZVFWFLSA-N 481.420 1.907 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1CCN(CC(F)(F)F)CC1 1740631702 UBPCLMASDIZIAO-MRXNPFEDSA-N 474.553 1.626 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2sc(C)nc2C)CC1 1740701161 WSQUKRVCBKBFAS-UHFFFAOYSA-N 469.615 1.796 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1740704372 MUDMJWWTCOJKLS-KRWDZBQOSA-N 482.589 1.862 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCCN2CCC[C@H]2CO)CC1 1740704799 UKQZKSMHZRSLCW-QFIPXVFZSA-N 465.602 1.543 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N1CCOCC1 1740726848 QERZRXNCWCQUIT-YADARESESA-N 486.642 1.908 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCNS(C)(=O)=O 1740755746 LQPJVLJDBWQYLX-DOTOQJQBSA-N 454.984 1.960 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740763592 NIDUIGOKEPXNDZ-UEXGIBASSA-N 480.635 1.147 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1740839858 PQINESRPAGBHPV-GOSISDBHSA-N 479.628 1.539 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCCCC2=O)CC1 1740863870 HQXRYLLWRLVBOW-FQEVSTJZSA-N 494.662 1.949 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740963771 WRCYRTGATBSBSI-UHFFFAOYSA-N 493.568 1.106 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1740992149 BOIKCWVXJJKPBT-IBGZPJMESA-N 477.606 1.767 30 10 JDEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(CN2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 1748801724 FCMNGBZNJMWCAL-QFIPXVFZSA-N 471.627 1.909 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1748803959 BLRHIKIKYWPBBN-KNKQGSTJSA-N 466.604 1.372 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748825175 WGLCSDMCAHXHHZ-MANSERQUSA-N 454.593 1.300 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCN2CCCC2)CC1 1748989547 NAOIUEKCNPPRBN-OAQYLSRUSA-N 487.649 1.828 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](OCC)c2ccccc2)CC1 1749010671 UUGPIMPGVBZSOD-SFTDATJTSA-N 464.570 1.973 30 10 JDEE C#CCSCCn1c(N2CCN(C(=O)OCC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749048345 MTHWQBVQVONOCM-OAQYLSRUSA-N 451.593 1.964 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1749215941 GXYRVDXZANZJQE-QHCPKHFHSA-N 491.614 1.784 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1749426913 JOSWULQINJYFAL-FUHWJXTLSA-N 466.608 1.072 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1scnc1C)C1CC1 1749519909 SUNHXOKZGRRIJH-INIZCTEOSA-N 452.606 1.773 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1749676342 MZHQJXUZZGMQHW-UHFFFAOYSA-N 477.544 1.597 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1749806133 XQIBXBDSEMVUEC-HYBUGGRVSA-N 468.558 1.839 30 10 JDEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1749993918 DWZMGZDSQCXEKO-FQEVSTJZSA-N 468.558 1.623 30 10 JDEE C[C@H]1CN(CCN(C)c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C[C@@H](C)O1 1750354607 FUASYUCYDCETOE-IYBDPMFKSA-N 461.517 1.743 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3Cc3cccs3)CC2)c1C#N 1751827166 CGRNCXADBJBUSY-UHFFFAOYSA-N 453.576 1.766 30 10 JDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)C(C)(C)C 1751985653 DAEFVXLSSINCDO-MRXNPFEDSA-N 474.587 1.609 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNS(=O)(=O)CC 1760111714 RRSAVNWOGAAGRD-OAHLLOKOSA-N 467.621 1.026 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCCS1(=O)=O 1760176140 ZMKBLXZNJSZVTQ-IRXDYDNUSA-N 467.592 1.623 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1760191219 CZBVUZGBTCYBPZ-WZONZLPQSA-N 489.598 1.145 30 10 JDEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1CCS(=O)(=O)N1CCSCC1 1760239347 FXUPDKWIZAJJAD-UHFFFAOYSA-N 467.592 1.834 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC)[C@H](C)C1 1760321800 KKIXRVSJCUNEIL-WTGUMLROSA-N 482.651 1.123 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760323815 GUSKKLNDCYJCQU-UTKZUKDTSA-N 480.635 1.242 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760327775 LRXGNFYWOMJDSP-YHDCXSKOSA-N 483.635 1.453 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@]2(CCOC2)C1 1760517489 NVJPEPMOTXRMPK-HSZRJFAPSA-N 457.531 1.890 30 10 JDEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(CCOC)C(=O)C2)no1 1762750908 BROFUXULHHAEQO-UHFFFAOYSA-N 450.503 1.300 30 10 JDEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCn2cc(Br)cn2)C1 1771530300 HFNQQGPGRRFQDW-QGZVFWFLSA-N 451.304 1.502 30 10 JDEE C=CCOC(=O)C1=S=C(NC(=O)C(=O)Nc2ccc(C(=O)OCC)cc2)C(C(=O)OCC)=C1C 1860748657 GIAQWBIJCYRHAM-UHFFFAOYSA-N 488.518 1.576 30 10 JDEE C=CCN(CC=C)C(=O)[C@@H](C)NC(=O)c1ccc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 1868808653 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C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(OCC)c2)CC1 1300683160 MAGCVNRBFONXTH-QGZVFWFLSA-N 476.603 1.099 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@](C)(O)C(C)C)CC1 1300688934 MVFODZZUYCIPNE-HSZRJFAPSA-N 474.631 1.358 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1301474643 DQODGOPTEDWZEC-CVEARBPZSA-N 463.583 1.458 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCCCO2 1301967410 CVYAMQXZMNRKON-UZLBHIALSA-N 490.586 1.416 30 10 JDEE N#Cc1ccccc1N1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)NCC(F)(F)F)CC1 1302999942 IERRLRXUFYRSFT-MRXNPFEDSA-N 463.464 1.659 30 10 JDEE CCOc1cccc(N2CCN(c3nnc(COc4ccc(C#N)cc4)n3CCC(=O)NC)CC2)n1 1314207590 AOOTYWJGRQYWNB-UHFFFAOYSA-N 490.568 1.985 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1358880984 WTQNIAGWFUCCLY-OPAMFIHVSA-N 462.572 1.748 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cn4ccccc4n3)n2CC(=O)N(C)C)c1 1358903022 IXWFAUNYKCEXRV-UHFFFAOYSA-N 470.537 1.661 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1CC[C@H](N1CCOCC1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358962198 MBCGPAQYWWMSOT-ROUUACIJSA-N 489.564 1.826 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccnc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1358964138 UNGZTBHPYDZNOB-HZPDHXFCSA-N 469.489 1.871 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccc(C)cc1 1359064383 RHJPTQUCJMSQBU-HTAPYJJXSA-N 458.588 1.619 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1359121704 DRAXDKHMIHEVSS-SFTDATJTSA-N 490.630 1.043 30 10 JDEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359224610 XFNKFMHRZIRIQT-INIZCTEOSA-N 463.560 1.737 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)COC)CC2)cc1 1359308042 BMROVIUDTDLHOA-LJQANCHMSA-N 489.598 1.088 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2[C@@H]1C 1359333141 PCAQSSYOEMMQLR-LPHOPBHVSA-N 495.627 1.293 30 10 JDEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1359341518 ZEUQFBIWMWDEAF-UHFFFAOYSA-N 474.612 1.829 30 10 JDEE CN(C[C@H]1CCCCO1)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1503542929 HKRABAWSNHPWNZ-LJQANCHMSA-N 459.572 1.762 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCN1CCCS1(=O)=O 1507519765 KCLCKTMSIHQVCI-CYBMUJFWSA-N 455.382 1.540 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1Cl 1507616821 NZLOOSKKCRZPHL-KRWDZBQOSA-N 453.952 1.413 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC(C)(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1507622041 ARRXUAQRLSYSEX-GOSISDBHSA-N 488.614 1.664 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1507630954 AHQXJRBCUAHJJF-IEBWSBKVSA-N 487.582 1.116 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCS(=O)(=O)N(C)C)CC1 1507723106 VDHCBSBPKSRBHC-UHFFFAOYSA-N 481.420 1.354 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2F)CC1 1507737942 DHIUUKNNAHZQFZ-GOSISDBHSA-N 459.547 1.333 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1507752125 SLVMYWJZZVUYRU-QGZVFWFLSA-N 496.618 1.185 30 10 JDEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(=O)NCC)CC1 1507823183 WFHSMNMTQSVFTR-UHFFFAOYSA-N 460.608 1.974 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC[C@@H]2CCCO2)CC1 1507884428 IHNVJPRCZUGTSJ-OALUTQOASA-N 469.608 1.353 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)NC(C)(C)C 1507916620 SBLFIMGLZDYZDR-INIZCTEOSA-N 470.640 1.564 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1508073760 PDQSXZHSOBBRIG-AZUAARDMSA-N 488.614 1.503 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCNC(=O)[C@@H]2CC)cc1 1508096640 IHQLYBDZCFXMGK-QAPCUYQASA-N 462.576 1.216 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(S(C)(=O)=O)CCCC2)C1 1508111070 WALMIVFMIMJCRX-JKSUJKDBSA-N 475.637 1.027 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCc3oncc3C2)nnc1[C@]1(OC(C)C)CCOC1 1508149447 VFRNXZPPUYXEIT-FQEVSTJZSA-N 451.549 1.470 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(N2CCCC2=O)c1 1510188531 CXEYWMCDJBVNHM-YCRPNKLZSA-N 475.550 1.505 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CNC(=O)c2cccs2)n1Cc1nnn(C)n1 1539392476 SBVBFVZWKKRVRZ-UHFFFAOYSA-N 465.518 1.620 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C(=O)NCC)c2)CC1 1539476846 FXRZLMZRPHTMBT-UHFFFAOYSA-N 474.569 1.442 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1539706520 LWJVYCAARRFDGD-CTNGQTDRSA-N 474.631 1.898 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1540867010 HVDDJHCZGYUBGE-NQIIRXRSSA-N 484.601 1.812 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cnccn2)CC1 1540876707 YSOHSPJEUMNQNZ-SFHVURJKSA-N 497.604 1.769 30 10 JDEE CC(C)Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCNC(=O)c1cc[nH]n1 1541470160 GHCDSSLXXSKTTC-UHFFFAOYSA-N 465.537 1.967 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCNC(=O)c2cccs2)cc1 1555990446 HXIWXEHZMZAROA-UHFFFAOYSA-N 486.579 1.455 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1587990175 UBELRQDXCGBDOV-HXUWFJFHSA-N 457.600 1.255 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1CCS(=O)(=O)N1CCSCC1 1588193700 JIGDUFATYFAIJF-UHFFFAOYSA-N 473.624 1.795 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1589053839 VQIODROTRIZKOE-PBHICJAKSA-N 462.601 1.440 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1 1595116111 PIJQOPHBEOVQBI-REWPJTCUSA-N 475.615 1.965 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)COCCO1 1595261180 ONMSTJLTZMDECX-LAUBAEHRSA-N 450.561 1.814 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1595812076 MOWCSGZNJCEPJO-KNQAVFIVSA-N 492.690 1.600 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCCCN(CC(=O)OC(C)(C)C)C3=O)cc2C1=O 1597704815 GJMQDVYRLUQDAC-SFHVURJKSA-N 455.511 1.921 30 10 JDEE CCOC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1616057625 AZSGELJGLBJUIA-UHFFFAOYSA-N 452.563 1.809 30 10 JDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)C1 1620152292 DMFQSKREYWEYFV-IBGZPJMESA-N 456.572 1.889 30 10 JDEE CCN(CC)C(=O)CN1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1634187843 HWKXIDCDPTYAPI-NRFANRHFSA-N 454.575 1.639 30 10 JDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCC[C@H]2C(=O)N2CCOCC2)CC1 1652437379 GXWHIYGRLJVOQN-FCHUYYIVSA-N 457.550 1.248 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1689977786 CUCCDMKVVPJGEO-GOSISDBHSA-N 459.572 1.577 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCC(=O)N1CCOCC1 1690005079 RALCPZBYUSBBCD-UHFFFAOYSA-N 459.348 1.368 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccc(C)o2)N2CCOCC2)CC1 1690109399 QAYLHJSOKCJHLY-FQEVSTJZSA-N 469.590 1.146 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCc2cccc(C(N)=O)c2)CC1 1690141861 CYDSHUDBPCLCLT-UHFFFAOYSA-N 459.554 1.591 30 10 JDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[C@@H]2N2CCCS2(=O)=O)CC1 1690361031 FLNICQMQZNCYGH-MSOLQXFVSA-N 450.609 1.777 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1690664037 JSYBWTBJXAZFMQ-AZUAARDMSA-N 483.617 1.966 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690717653 MPRVMVYWKJXCQY-NVXWUHKLSA-N 468.963 1.560 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCC2=O)cc1 1705477438 OEFMOEMDJNFVLF-IAGOWNOFSA-N 458.588 1.517 30 10 JDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)N1CCOCC1 1705534555 KXNKNBMDWOYVAU-GOSISDBHSA-N 476.578 1.295 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1705559647 AFRQJAHFSRZLFG-NZQKXSOJSA-N 458.584 1.914 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705560969 MDPRJAKDJSSFRQ-YJBOKZPZSA-N 464.510 1.899 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1705570932 VNSJVNAAUZVAJU-HJWYETAXSA-N 452.627 1.468 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCCS(C)(=O)=O 1705693928 MEHICCSEBFCFDQ-WMZOPIPTSA-N 462.576 1.778 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1705735837 XAYGVETYJFHNHV-ICSRJNTNSA-N 473.622 1.391 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1705891033 VRSGRGYYZTXPOK-HOTGVXAUSA-N 470.596 1.148 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](COC)O[C@H](C)C1 1705900964 VZAMEOPOOMQPEE-MSOLQXFVSA-N 495.584 1.778 30 10 JDEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705949985 OSMLGFLGLDCCTL-BRWVUGGUSA-N 462.620 1.263 30 10 JDEE CCNC(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)c1 1710326769 FCTJGLDANZZKLE-UTKZUKDTSA-N 460.535 1.420 30 10 JDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(C)cn2)CC1 1710888877 HBNAOSZGPZGVAY-UHFFFAOYSA-N 468.587 1.930 30 10 JDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1)OC 1712150977 BRYOKYMBMYMZHH-FQEVSTJZSA-N 455.563 1.125 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1cccs1 1722413541 NVJJETMMPUNUBS-BEFAXECRSA-N 453.590 1.040 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@@](C)(O)C(C)C)CC1 1722438406 RBEZHTUQPHBTOJ-RUZDIDTESA-N 463.586 1.837 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCc2n[nH]c(C)n2)CC1 1722449362 QAHXSYMDBFEVBL-UHFFFAOYSA-N 450.522 1.643 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC(C)C)N(C)C 1722475345 TVZIXPVFZXTQAK-CNNODRBYSA-N 466.652 1.579 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(CCOC)no1 1722482422 IDXBRVUNGAGUEE-GFCCVEGCSA-N 475.369 1.297 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722507177 WXBCJCKTABAFKJ-JZJXAQOMSA-N 458.563 1.481 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1722523133 CHSTWPRCYOPWKV-KNQAVFIVSA-N 461.588 1.593 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1722538141 UMUYWLRLGRWKNX-UEXGIBASSA-N 454.593 1.547 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1722554297 DBLRABOEKJXVAZ-KRWDZBQOSA-N 489.042 1.447 30 10 JDEE C=C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCNS(C)(=O)=O)CC1 1722564549 BEVXEXYFXOBNJS-UHFFFAOYSA-N 471.587 1.771 30 10 JDEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1722619552 GPVUHUQQSHFTMX-UHFFFAOYSA-N 494.600 1.907 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1722701678 ZRTACXRNKLRFIL-OAQYLSRUSA-N 465.602 1.948 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1722706074 MJHNAQFKTHPMSA-GOSISDBHSA-N 458.538 1.457 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc3c[nH]nc3c2)C1 1722712033 YSRQDFRHDJBHQX-YJBOKZPZSA-N 459.576 1.789 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(CC)C[C@H]1CCCO1 1722727934 QFGMBYJHINSZDL-OAHLLOKOSA-N 451.549 1.612 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCCN(CC(F)(F)F)CC1 1722728518 QWNSTRMRQPWCFS-MRXNPFEDSA-N 465.542 1.847 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)C1 1722736820 JRSHJTMQEABDLZ-INIZCTEOSA-N 482.607 1.229 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)Cc1ccccc1 1722866370 AVQCBEYHNOHZKP-WMZOPIPTSA-N 465.601 1.391 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)N1CCOCC1 1722866591 BSRAFMGWOGVAKY-KRWDZBQOSA-N 475.594 1.847 30 10 JDEE CC(C)(C)OCc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)no1 1723010701 CEWGVTJQXFJHOV-XOBRGWDASA-N 466.539 1.974 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCN(C(C)C)CC2)CC1 1728665790 FKSALHXWALPYKA-UHFFFAOYSA-N 494.644 1.310 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1740619877 MAMRXDMMVDDBRM-FUHWJXTLSA-N 460.556 1.626 30 10 JDEE C#CCN(c1nnc(CC)n1CCc1ccc(OC)c(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1740624935 LGNQQRKVIDZDEM-KRWDZBQOSA-N 462.572 1.736 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)CNC(=O)OC(C)(C)C 1740630460 IIZJQYCZEGAGSN-CVEARBPZSA-N 452.581 1.122 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN2CCOCC2)c1 1740640653 RXZZJLJELPVRLF-QFIPXVFZSA-N 467.595 1.134 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1740710338 XRSSMPWBGHWGLV-APWZRJJASA-N 479.628 1.841 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCC1CC1 1740726654 IJWDELQGINDTJG-HSZRJFAPSA-N 470.599 1.714 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740758410 XGVOALSDQJIBEF-GHTZIAJQSA-N 454.579 1.363 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(C)=O)CC1 1740987802 MOHLAFQAWXPKJL-UHFFFAOYSA-N 463.560 1.232 30 10 JDEE CC(=O)N1CCCN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1741037746 ZEUDFDJMMABISO-VHXPQNKSSA-N 477.569 1.648 30 10 JDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1748755718 BIIODSRCAJGQGY-FQEVSTJZSA-N 458.588 1.308 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1748804007 BYWVEDSUYRMAMD-YHYVQYDKSA-N 478.571 1.058 30 10 JDEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1748808554 KZJBCZLBHZGFQB-NVXWUHKLSA-N 496.680 1.803 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1COCCO1 1749068034 AQKVMDBGSKRZCQ-YZZKKUAISA-N 461.563 1.994 30 10 JDEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1749330789 NOCKVXVSCLEDMA-AREMUKBSSA-N 496.612 1.985 30 10 JDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1749449633 QVQNRSNDNJHAEP-UHFFFAOYSA-N 465.562 1.961 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1749650404 VSMYHKHSEAQQGR-SFHVURJKSA-N 490.511 1.996 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1749657821 GUQLUCSSRMNELZ-INIZCTEOSA-N 471.993 1.690 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)N2CCN(c3ccccc3)CC2)C1 1749694845 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C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2COCCO2)CC1 1286485455 MJMDNKJMGZGFDL-MOPGFXCFSA-N 460.579 1.521 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC2CCN(CCN(C)C)CC2)CC1 1286490593 YWAFANKHDPMPRD-UHFFFAOYSA-N 478.645 1.580 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1286493518 WAEAMWWXYPEKJV-NRFANRHFSA-N 494.596 1.746 30 10 JDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1286529996 CLHUUNPBFOJQLL-GOEBONIOSA-N 453.385 1.580 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CCO1 1287064634 HHEHBHWHRFRABD-WOJBJXKFSA-N 484.557 1.962 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCC(C)(F)F)CC2)c1C#N 1290576489 FVSPDEOAGXZZPI-CQSZACIVSA-N 485.565 1.174 30 10 JDEE CN(C)C(=O)CCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1297973030 ATRKLNCFZOUTQW-FQEVSTJZSA-N 462.555 1.549 30 10 JDEE C#CCN(c1nnc(-c2ccc(Br)s2)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1300484038 QMKUHDGYHUEIIE-CYBMUJFWSA-N 496.416 1.688 30 10 JDEE C#CCN(c1nnc(CC)n1Cc1ccccc1CN1CC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1300499872 ZBCLREYLEBOJNG-LEWJYISDSA-N 457.600 1.082 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1300531894 ITUGTQRALCLGGT-QGZVFWFLSA-N 459.510 1.162 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccccc1F 1300539075 XKKPBYUHFZUOMV-HXUWFJFHSA-N 491.614 1.756 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2)n1 1300681533 SRRXWVCRTJBOHI-HXUWFJFHSA-N 468.583 1.711 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1300706631 QHHJHOSEJBGXCL-HSZRJFAPSA-N 456.978 1.717 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(N3CCOCC3)CC2)CC1 1300710872 ONZHREPQDKKLAH-UHFFFAOYSA-N 485.633 1.027 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1300973540 ZLJUOIYKEQUUSL-SJORKVTESA-N 470.640 1.612 30 10 JDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1300997163 QJPSXEHRDCZIDJ-QGZVFWFLSA-N 459.576 1.699 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C(N)=O)CC1 1301579110 MUXDDKWQQNPKQV-UHFFFAOYSA-N 469.571 1.433 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)(C)C)CC1 1301596692 WDEWLVRNOPVANA-ROUUACIJSA-N 455.625 1.523 30 10 JDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1301612240 KUDSOLZUDDHQCS-ZWKOTPCHSA-N 471.649 1.332 30 10 JDEE C=CCSCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1301623937 PTVVTTZWCRUZGC-IERDGZPVSA-N 464.592 1.322 30 10 JDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2OC)n1 1309464646 KUFRSJVLNWPXBD-UHFFFAOYSA-N 455.920 1.802 30 10 JDEE C#CCC[C@H](O)CNC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1312638362 WRJPYAUNENJBGQ-HOTGVXAUSA-N 458.378 1.676 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2=CCCOC2)c1 1358901632 RHUGTEVDOZDWCD-MRXNPFEDSA-N 472.571 1.291 30 10 JDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 1358938328 XPNYQPWHMAFJJN-YLJYHZDGSA-N 460.604 1.803 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1358955890 VPWMFQGMRHVYQP-GOSISDBHSA-N 480.550 1.500 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1358964531 APKHIYACCCCZHW-ZWKOTPCHSA-N 450.586 1.363 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc(C)c(C)s1 1359010014 DMJQXRUGEHSFMH-MRXNPFEDSA-N 452.606 1.387 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCC(O)CC1 1359025568 SNVDIQCKVYWAMF-JOCHJYFZSA-N 455.559 1.723 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ncnn2C(C)(C)C)CC1 1359046232 JQSSIKWSSVHRLZ-UHFFFAOYSA-N 461.574 1.625 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1359293986 HCHWNKJEXNBARQ-UTKZUKDTSA-N 470.574 1.421 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1359294929 JOCYZNBDDVFNKK-NRFANRHFSA-N 463.542 1.497 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCCCC2)C1 1359321765 LGHRLCFCHBOHKW-RTBURBONSA-N 453.609 1.973 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1359330363 OZOAKILSXDEQNH-QGZVFWFLSA-N 459.572 1.756 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC(C)C)CC1 1359332871 JACGTTKCKCHMJP-INIZCTEOSA-N 460.622 1.175 30 10 JDEE C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)Oc1ccc(F)cc1 1360568663 DLFNVIMTLMOCOI-FPDPHYFHSA-N 496.540 1.660 30 10 JDEE COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 1436050442 HCKQWQDPSDMAAB-UHFFFAOYSA-N 450.539 2.000 30 10 JDEE C=C(C)Cn1c(SCC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)nnc1-c1ccco1 1441303451 BFGPGYVZHMIKGD-HNNXBMFYSA-N 453.590 1.994 30 10 JDEE C#CC[C@@]1(C(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)CCCN1C(=O)OC(C)(C)C 1446601409 LYWHJORWCLYFGH-YWZLYKJASA-N 456.586 1.792 30 10 JDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1507580850 MBCLFHWJPPALHI-GOSISDBHSA-N 483.602 1.442 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N[C@H](C)CC 1507652690 MLUYEOVESZJDMM-RTBURBONSA-N 472.590 1.964 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(=O)N1CCOCC1 1507702067 FNYHDLMIPHHQLL-HXUWFJFHSA-N 455.559 1.980 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccsc2)N(C)C)CC1 1507719794 AWPMTZZSUONMDT-WMZOPIPTSA-N 465.649 1.008 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1507731321 FPWMZOOYMNZETQ-OAQYLSRUSA-N 457.600 1.542 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CC[C@@]3(CCOC3)O2)CC1 1507733866 MZROJTXWHAEKQE-NLFFAJNJSA-N 486.617 1.500 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1507738697 VZMIACRYMYHNAT-MOPGFXCFSA-N 499.616 1.595 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](c2ccccc2)N2CCOCC2)CC1 1507742607 METHSADJKQHDHG-QFIPXVFZSA-N 450.587 1.880 30 10 JDEE C=C(Br)Cn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@]1(OCC)CCOC1 1507791937 UBDORAFPZQSZEY-MSOLQXFVSA-N 456.341 1.870 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507806391 HQAGTHRTCMMEOO-LFDJNIOPSA-N 454.593 1.607 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCCC1=O 1507820779 MUJFGEPCZKYDSL-LJQANCHMSA-N 482.651 1.806 30 10 JDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1507841443 ZZJLQOQQUMXTLS-SIKLNZKXSA-N 453.591 1.922 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCNC(=O)c2occc2C)CC1 1507883190 ZSAUMICWXFNXSB-INIZCTEOSA-N 450.565 1.766 30 10 JDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507969541 CSZYSPBDWKAHHQ-WFXMLNOXSA-N 453.609 1.757 30 10 JDEE C=CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)N(C)C)C1CC1 1507993058 HZSMTEYDQNTZQN-UHFFFAOYSA-N 460.608 1.498 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cncn2)C1 1508106452 UJESLZMYRWVVHF-IEBWSBKVSA-N 486.602 1.934 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C2CCOCC2)CC1 1508144666 WNVLKIXMGFRESQ-UHFFFAOYSA-N 451.637 1.913 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(CC)(CC)OC)[C@@H]1CCS(=O)(=O)C1 1539230332 LWRWJGBDWLXUSU-LJQANCHMSA-N 462.620 1.972 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C[S@@](C)=O)cc1 1539296642 SCBNQNJCZPPJPA-NOVUIFNWSA-N 461.613 1.278 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCO)c(OC)c1 1539323961 NCLULNIZKCAVTE-LJQANCHMSA-N 472.567 1.071 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CSC)c1 1539369003 GJZUQZBNKDSNKC-IBGZPJMESA-N 463.629 1.982 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(C)n(C)c1=O 1539399279 JNCDOQFSVLJMLT-UHFFFAOYSA-N 498.609 1.337 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(Cc3ccccc3)CC2)CC1 1539429777 CTKUPIBNGDUULB-LJQANCHMSA-N 456.616 1.666 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2Br)CC1 1539447411 RTUGMHYHZSRGEJ-QGZVFWFLSA-N 478.416 1.746 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1539462964 QHBBTAAYSAERTM-VQTJNVASSA-N 469.634 1.600 30 10 JDEE C=C(C)COCCn1c(CC2CC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1539758598 PHEJVEFMQDCTBK-CEXWTWQISA-N 495.646 1.950 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1539983538 ZARHJFXAIBJWQQ-INIZCTEOSA-N 459.638 1.792 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(C)(C)C)CC1 1540869088 BCYUGDQGRXWOIJ-UHFFFAOYSA-N 478.601 1.898 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1540903308 BDCHZXGHVKONMU-OXJNMPFZSA-N 452.602 1.915 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C)C(=O)[C@H]1C 1540904917 PHUAFSDIBJUCSL-CQSZACIVSA-N 453.515 1.415 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1588054319 NKADMFARXJMOPA-PMACEKPBSA-N 471.583 1.140 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccccc1COCC)[C@H]1CCS(=O)(=O)C1 1588069893 UQKRSTPEOXVNGV-NRFANRHFSA-N 485.610 1.612 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC(=O)N1CCOCC1 1588174261 VOONOINJFDFYHM-UHFFFAOYSA-N 462.554 1.859 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1588180726 JEISJYWQCRAUCU-OXQOHEQNSA-N 483.516 1.801 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1588848854 OMJZDLXEBXXCFT-FQEVSTJZSA-N 454.550 1.258 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCNC(=O)C(C)(C)C)CC1 1588908914 ZQXGQVAGBIPQGL-UHFFFAOYSA-N 480.569 1.802 30 10 JDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1593735277 BCYWJMAXRMTBPP-WIYYLYMNSA-N 454.579 1.317 30 10 JDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1594569185 ZWBJIFHBFSNCCW-SFHVURJKSA-N 450.609 1.875 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1595569559 JGYQLPQQNBPOTB-UHFFFAOYSA-N 485.614 1.471 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1595804781 GIEDSJZYHBMYJS-RXVVDRJESA-N 489.598 1.696 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncccc2N(C)C)CCO1 1596632263 ADOPAIFGXYNHBB-HXUWFJFHSA-N 460.542 1.667 30 10 JDEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC[C@H](O)C(=O)OC)ccc1Cl 1598290574 VWBUNTUZZHSBFN-KRWDZBQOSA-N 452.916 1.985 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3CCN3CCOC[C@H]3C)CC2)c1C#N 1612469645 DDEUMOZAZZXXNL-GOSISDBHSA-N 469.638 1.828 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1615938174 ATJFYEMTBQWILU-UUOWRZLLSA-N 453.591 1.872 30 10 JDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N(C)C)C1 1619883776 GGKOQUHNYBFPHN-NQIIRXRSSA-N 489.646 1.644 30 10 JDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccc(O)nn2)CC1 1623494372 HSJGBLCFORZXLL-PMACEKPBSA-N 452.490 1.725 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 1632770450 WYCYCAMNLRFKJA-GOSISDBHSA-N 458.565 1.938 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)ccc1F 1633693865 HYKGXIPCZXCFIG-UHFFFAOYSA-N 452.596 1.780 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 1670882356 LWCMUFWBSWEYLL-UHFFFAOYSA-N 451.570 1.457 30 10 JDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1674391496 RSNHPHNHFUGPBZ-UHFFFAOYSA-N 451.545 1.194 30 10 JDEE C=CCN(C(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1)[C@H]1CCS(=O)(=O)C1 1676462938 NWWAFSUKQYQJET-HNNXBMFYSA-N 451.530 1.484 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCN(CCC)CC1 1689893053 SSRQRWSQIOAJPM-HXUWFJFHSA-N 466.652 1.725 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1689980907 ZFTRQXJXJGONBQ-UXHICEINSA-N 485.610 1.964 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1689984127 LRMBDHDZFSCPFF-GOSISDBHSA-N 457.556 1.107 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689988992 ZWRQXMCYTRLKHR-PKOBYXMFSA-N 457.604 1.482 30 10 JDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1690034506 JZXCKBZUTSIGFX-OLFBTZAWSA-N 466.542 1.308 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1690046982 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472.633 1.176 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CC(=O)N(C)[C@H](C)C1 1705937884 HSSDSSJMKKELHM-MRXNPFEDSA-N 463.560 1.133 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)C1 1710345398 COPQRMVVXWMFTE-OAQYLSRUSA-N 487.630 1.182 30 10 JDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CCOC1 1710482553 HAIISDGFIWOPCL-GSHUGGBRSA-N 464.567 1.820 30 10 JDEE CS[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1712725775 FEZGMGVBDPSPQY-CABCVRRESA-N 481.623 1.977 30 10 JDEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722312348 DNAKZTBGNYBWFU-UHFFFAOYSA-N 480.569 1.693 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCCOC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1722361707 OKZKUGHVKKARTA-RTBURBONSA-N 459.572 1.553 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722365173 LNTKGNNTQROENG-LJQANCHMSA-N 470.599 1.958 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(CS(C)(=O)=O)c1 1722386892 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C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1359031894 SQWJJUXAYNYEJN-JTHBVZDNSA-N 498.653 1.932 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@@]2(O)CCN(C)C2)CC1 1359033221 UJIPQIKPYMZJOS-OAQYLSRUSA-N 459.392 1.529 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1359035654 AFYHFXUQSZCSMF-JTSKRJEESA-N 478.018 1.497 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)Oc2ccc(F)cc2)CC1 1359040391 SNBFUPLAKONDPL-KRWDZBQOSA-N 470.549 1.989 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOc2ccc(OC)cc2)CC1 1359044702 MGGUVAXDSHCEBL-OAQYLSRUSA-N 480.569 1.673 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CC1)COC(=O)N2 1359060272 POLZLJSQYNNKFY-UHFFFAOYSA-N 460.585 1.715 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1359089241 FJFGEEVDRZCTNF-UNMCSNQZSA-N 487.649 1.532 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2nc(CC)ns2)CC1 1359297692 YWZNEMRRKQMWOD-UHFFFAOYSA-N 468.587 1.996 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1c(C)noc1C 1359299163 XJROHKXZPWFXMW-UHFFFAOYSA-N 462.514 1.735 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@H]2C1 1359309493 UINSJONFQNMIAI-DOTOQJQBSA-N 476.559 1.142 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1Cc1cnnn1C 1496983003 BCVVXFOWKRYJLQ-UHFFFAOYSA-N 476.589 1.962 30 10 JDEE CCN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCOC)Cc1ccc(C#N)cc1 1501420933 GHVSKBIFSCRRBC-LJQANCHMSA-N 474.587 1.183 30 10 JDEE CN(C[C@@H]1CCCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCNS(=O)(=O)Cc1ccon1 1503542938 HOZXAKLFQJWHOB-FQEVSTJZSA-N 485.570 1.930 30 10 JDEE CNS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](F)(C#N)C1 1503834761 FKVFLZUSVTUZBL-MGPUTAFESA-N 485.586 1.384 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1507575000 QADGZPGNZNJKBT-HXUWFJFHSA-N 486.642 1.973 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1507632272 KIZLGYSQLVIUNR-GXTWGEPZSA-N 453.977 1.619 30 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C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1587765181 BYPKKRCAXNYQBR-PZJWPPBQSA-N 494.662 1.104 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1587766538 WOMZDAJLGCKAFR-REWPJTCUSA-N 491.589 1.652 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(c2ccccc2F)C1 1587988802 BONFIMFURQLWKT-FXAWDEMLSA-N 476.578 1.346 30 10 JDEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1588034477 GQFGHLDCPXDJLD-SFHVURJKSA-N 478.578 1.731 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1588035268 QGJXNOFNNXGGJY-MBSDFSHPSA-N 491.614 1.853 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588053387 DQCSSTAIONDISE-OTWHNJEPSA-N 495.646 1.960 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(C(=O)NC)c2)CC1 1588947795 XCWHMMVTGQVNDO-UHFFFAOYSA-N 471.565 1.638 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(=O)N(C)C)CC1 1588962341 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CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1615133355 APVPDBSBQPUKQK-GAJHUEQPSA-N 454.531 1.591 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)c2cnn(-c3cc(F)c(OC)cc3F)c2CCC)CC1 1634876687 ZFBMXDIBQDXNDO-UHFFFAOYSA-N 459.497 1.619 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCN(C(=O)OC)CC3)nc2)cc1 1641277569 GLDNIDPCRIEGEL-UHFFFAOYSA-N 459.528 1.687 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1690231529 FMLKKOREPVYLSP-CYBMUJFWSA-N 452.313 1.578 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1690472302 JTZOAZNLUWAEPU-OAGGEKHMSA-N 464.596 1.359 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CCC[C@@H]1NC(=O)NC1=O 1690569077 CFTIIQSYIGMHLU-IRXDYDNUSA-N 455.494 1.549 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 1690677475 XTXULYQETTUJBL-UHFFFAOYSA-N 451.574 1.116 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](Oc2ccccn2)C1 1690714745 TYTKQGVIUBHGOY-KRWDZBQOSA-N 460.560 1.168 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690723849 BZJNXYYHAONTFL-QGZVFWFLSA-N 466.608 1.234 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1690724630 SOTRVDPHPAOUOX-JOCHJYFZSA-N 484.626 1.967 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1690726833 NFEZFEPAMAXENV-HSZRJFAPSA-N 473.599 1.389 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC(C)(C)O[C@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1690731567 MFRKMTOHTQFDMJ-YADHBBJMSA-N 484.619 1.305 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CN2CCCCC2)C1 1690747233 WRAIBBBNUUNJGI-UXHICEINSA-N 498.719 1.842 30 10 JDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 1693830116 CUWIIZIVKXAMHC-SIKLNZKXSA-N 481.601 1.897 30 10 JDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)nn2C)CC1 1697712062 DGELTIGGDLPTAH-UHFFFAOYSA-N 464.530 1.114 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCCNS(C)(=O)=O)c1 1705506050 YYNKUHCYLOYOQX-UHFFFAOYSA-N 455.544 1.269 30 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C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722360096 CWKLFEIPXJLVEE-GBESFXJTSA-N 457.604 1.482 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1722371594 XDGMZWCLCBRXAD-CXQPBAHBSA-N 466.604 1.180 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1722373032 HSXXQFAYOJDJFF-IRLDBZIGSA-N 484.626 1.343 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722382577 MUGTXVXTDNUFJK-QUCCMNQESA-N 472.640 1.911 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1722388265 XWXWNSZKCJTHNB-HSZRJFAPSA-N 460.582 1.592 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC[C@H]1C 1722421428 QHKHVOXHZMSXBU-GOSISDBHSA-N 461.588 1.155 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2OCCC2(C)C)n1 1722428823 BJIKYXVZGLUOCD-AZUAARDMSA-N 490.630 1.478 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2CN(C)C(C)C)CC1 1722431819 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1748693026 VTFNJTOPNRSYTO-KRWDZBQOSA-N 457.556 1.151 30 10 JDEE C#CCN(c1nnc(C(C)C)n1Cc1ccccc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748802699 RDJZWZRZCWOOQK-FQEVSTJZSA-N 457.600 1.913 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN1CCOC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1748809320 SAEYHQZATSGHAP-SFHVURJKSA-N 461.588 1.584 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748815971 UZIUJMZSWDDZML-YRPNKDGESA-N 490.674 1.612 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCNC(=O)c1ccc(C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1748817951 TXVYCJWFIVDUFT-RTBURBONSA-N 489.573 1.286 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC(F)F)c1 1748847780 XAGWBXXWNPPUEJ-INIZCTEOSA-N 464.494 1.911 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOc2ccccc21 1748859445 SZZWNEBSDFNZJX-NQIIRXRSSA-N 469.567 1.250 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccccc1)N1CCOCC1 1748959925 ASDMSMQONPCMAN-LEWJYISDSA-N 452.559 1.389 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1749017075 VDQJSRWMMZTQPE-UHFFFAOYSA-N 472.615 1.443 30 10 JDEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749049732 PUKWXSRXMRQMJO-RTBURBONSA-N 490.674 1.736 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1749115457 QKOQWMNUTQYFCA-AQNXPRMDSA-N 473.622 1.140 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nnc(CC)s2)CC1 1749302901 APNWWRAOVYDMIT-AWEZNQCLSA-N 453.594 1.230 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1749575388 QMELLADNFWNBDN-VGSWGCGISA-N 497.618 1.315 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cc(F)cc(F)c2)C1 1749711825 CTDCFHKSUAVEQF-WOJBJXKFSA-N 497.568 1.913 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1760189066 GJHCQVBUCHRBKZ-HXUWFJFHSA-N 470.599 1.293 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnn(CCOC)c1 1760206299 VZHHSXZMPWJXQU-UHFFFAOYSA-N 459.558 1.416 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCNC(=O)OC(C)(C)C)CC1 1760261830 XBMJZKCIWBUJRL-UHFFFAOYSA-N 487.630 1.940 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CC1 1760270857 CNQPDJOYADNOMP-HXUWFJFHSA-N 491.596 1.415 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1760306345 CAXYZDKREDAJNE-KBPBESRZSA-N 476.397 1.168 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nc(CC)ns2)CC1 1760518602 BUEHHNIVOLTIRF-UHFFFAOYSA-N 463.571 1.859 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCN1CCOCC1 1760523279 SARXDUIRBSXHEN-UHFFFAOYSA-N 450.547 1.201 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C(C)C)C1 1760523727 GUKRGNTXZCUJLP-IBGZPJMESA-N 454.579 1.616 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1760553307 QWYQQPOVEWQLRL-LJQANCHMSA-N 456.572 1.722 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cc(F)ccc1N1CCOCC1 1761481661 BRSDMCNMQGRYNC-QVKFZJNVSA-N 495.556 1.354 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1765635023 ATPAKZVHACYMKM-UYAOXDASSA-N 451.575 1.890 30 10 JDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)(C)C)CC1 1770675886 ABXZCZUKEYCITF-UHFFFAOYSA-N 453.547 1.417 30 10 JDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1771535925 CYNUZJBSSXYZBM-SCLBCKFNSA-N 472.354 1.530 30 10 JDEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)NC[C@@H](C)NC(C)=O)cc21 1858807044 JIHWQFYWDZEWKE-OAHLLOKOSA-N 481.509 1.901 30 10 JDEE O=C([C@@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21)N1CCC(O)CC1 1869928124 REOUABAYJGIVFH-HXUWFJFHSA-N 452.536 1.801 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)C3CCN(c4ccc(C)nn4)CC3)CC2)CC1 1889406518 ZCSUBGREZLNBCF-UHFFFAOYSA-N 468.646 1.650 30 10 JDEE Cc1cnc2n(c1=O)[C@@H](CC(=O)N1CCC(OCC#CCN3CCN(C(C)C)CC3)CC1)CS2 1889433638 FCTAWFJWHIOAOS-NRFANRHFSA-N 487.670 1.626 30 10 JDEE COc1ccc(OC)c(S(=O)(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c1 1890652980 DXDQGPYSODCEDZ-UHFFFAOYSA-N 479.643 1.903 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CC[C@H]1NC(=O)OC(C)(C)C 2255752929 NUSFLPGOFUDATJ-ZIAGYGMSSA-N 456.374 1.053 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1 2255795976 ZLBWRXBCJUYWPF-ZDUSSCGKSA-N 456.374 1.007 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256636414 MIMGOUJCRPYTQP-VXGBXAGGSA-N 454.358 1.128 30 10 JDEE CC(C)(C)OC(=O)NCCc1nc(=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)s[nH]1 2267285496 JETMEBWEULPVPU-UHFFFAOYSA-N 463.369 1.907 30 10 JDEE CN(C)CCN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2267528013 AMVNVQKTFQJVQO-UHFFFAOYSA-N 468.429 1.971 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268693357 QQEKNURNGHFCKQ-KGLIPLIRSA-N 467.397 1.988 30 10 JDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2281951254 HKNXVJNPMOVIOR-CABCVRRESA-N 463.388 1.737 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)n1 2281952269 UOQNWYQILNNCOS-KGLIPLIRSA-N 461.372 1.680 30 10 JDEE Cc1c(C(=O)N[C@H]2COC[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281977457 PQOQCCSFIQKQCB-CABCVRRESA-N 464.372 1.297 30 10 JDEE CC(C)(C)OC(=O)NCCOC1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2281990984 UYHXUBGTHSGNHO-UHFFFAOYSA-N 464.372 1.855 30 10 JDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2282198796 DWJPHBIJXJIPPO-JOCHJYFZSA-N 466.340 1.307 30 10 JDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C 2282315911 VCDAIOAPLZYARF-JOCHJYFZSA-N 484.424 1.848 30 10 JDEE Cc1c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282561996 VXYIGASZAXAWBB-LSDHHAIUSA-N 464.372 1.128 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]2[C@@H]1CO 2282595748 YIBMVTLSBMDORM-LZWOXQAQSA-N 462.356 1.009 30 10 JDEE Cc1c(C(=O)NCCN(CC(=O)O)Cc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2284339624 UBIATSQXECZBTG-UHFFFAOYSA-N 456.352 1.344 30 10 JDEE N#Cc1ccc(N2C[C@H](C(N)=O)[C@@H](C3CCN(C(=O)CCn4cnnn4)CC3)C2)cc1C(F)(F)F 2297651090 ZLJCWZSANCTAOS-MSOLQXFVSA-N 490.490 1.430 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1 2312856313 FIOUUMDWUZNSJG-YESZJQIVSA-N 467.335 1.254 30 10 JDEE NC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccc(O)c(O)c1 2325918430 SWHWUPNTXUCFOD-MRXNPFEDSA-N 466.523 1.665 30 10 JDEE COc1ccc(OC[C@@H](O)Cn2c(NN=C(C)c3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 2327751649 FHDNYFGPXQZAOC-SFHVURJKSA-N 492.536 1.718 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]1(CF)CCN(C(=O)OC(C)(C)C)C1 2337204138 HFVBLUXYOQZKIZ-OAQYLSRUSA-N 452.336 1.798 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](O)(CCNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337398604 SLWISXQILNZDOS-OAQYLSRUSA-N 467.397 1.934 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C2)n1 2362152429 FHRWLFHUVRKNKX-GXTWGEPZSA-N 456.274 1.048 30 10 JDEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cn(C)nc3C)n2)cc1 20424219 HHZWWBIBMFAJAO-DJKKODMXSA-N 477.576 1.322 30 10 JDEE C=C[C@](C)(O)CN1CCN(Cc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)co2)CC1 34677897 RGQARZGQJVFDOE-DEOSSOPVSA-N 457.550 1.831 30 10 JDEE CC(C)N1C(=O)[C@@](NS(=O)(=O)c2nnc(N)s2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O 78397550 XCUXHOSHZGZEFZ-OAHLLOKOSA-N 467.495 1.594 30 10 JDEE Cc1ccc2nc(NCCCN3CCOCC3)c(/C=N\CCCN3CCOCC3)c(=O)n2c1 102681119 YPTXWZJIXUVQNH-BWAHOGKJSA-N 456.591 1.278 30 10 JDEE aggregator Cc1cccc(NC(=S)NN=C2C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c1 254480694 FJCXXWAYOPXEGU-UHFFFAOYSA-N 473.580 1.683 30 10 JDEE O=S(=O)(c1ccc(NC(=S)NN=Cc2ccc3c(c2)OCCO3)cc1)N1CCOCC1 254835290 GHTKVYJBSSNETF-UHFFFAOYSA-N 462.553 1.799 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)CC1 680516863 LHLKSGUHDGQBQA-KDURUIRLSA-N 462.616 1.413 30 10 JDEE N#CCOc1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)cc1 731404699 CCVBUBRQJZOLRM-IBGZPJMESA-N 457.508 1.797 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)c2)c(=O)n1C[C@@H]1CCCO1 837869844 QXFFGHINCMPDLZ-IBGZPJMESA-N 461.547 1.080 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)ccc1F 914658999 YYUGKBNUXYHFRM-MRXNPFEDSA-N 490.575 1.119 30 10 JDEE CC(=O)c1ccc(S(=O)(=O)NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 916760858 AAXTVEHJEMJYTC-GOSISDBHSA-N 477.564 1.848 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]2C[C@H]2C)CC1 1136633015 WTYSTJAOYVGWEC-SJORKVTESA-N 456.543 1.196 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)c2ncoc2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 1140133380 YSHXTFGRZKJOOT-UHFFFAOYSA-N 459.547 1.296 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1286377598 ZAOGECPTKPDPTR-MRXNPFEDSA-N 498.396 1.683 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1286385337 WOVBNQYXMVZJTN-MZKRTTBSSA-N 480.631 1.905 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCS(=O)(=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286565288 ZZCGLSLTGYHZDA-LVCYWYKZSA-N 454.593 1.535 30 10 JDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286588827 LHNRBYUISVYREK-UHFFFAOYSA-N 471.591 1.747 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1286814266 OOSKQUGDQXZPBY-VGSWGCGISA-N 494.639 1.910 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1286818647 LROGTRJUFALCDX-LJQANCHMSA-N 461.636 1.479 30 10 JDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCn2cc(Cl)cn2)C1 1288976622 BHGXUWOQLMDGKY-APWZRJJASA-N 482.998 1.291 30 10 JDEE C[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1291299630 BHQNLZKWGNIMDT-WSTZPKSXSA-N 488.614 1.871 30 10 JDEE CCN(CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C)S(C)(=O)=O 1295814593 BZZZDKBDDVVGTG-KRWDZBQOSA-N 489.602 1.067 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](Oc2ccccn2)C1 1298101416 ALWMBTOJVCRBEU-IBGZPJMESA-N 467.555 1.761 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C(CC)CC)N(C)C 1300309627 VHUGLSKYFOHIMP-QXAKKESOSA-N 454.641 1.435 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CCC2(O)CCOCC2)c1 1300330465 AQKBLSPYUWOSAK-SANMLTNESA-N 497.596 1.918 30 10 JDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1300510763 AILCXXOHURQMRV-HHHXNRCGSA-N 490.608 1.740 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1300722969 OGFYUAGBASPVSF-NRFANRHFSA-N 491.596 1.383 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1300743701 YGLXQBOBPWVNCT-INIZCTEOSA-N 461.613 1.807 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CN1CCCC1 1300806233 RREHZYNMMSHKGO-WMZHIEFXSA-N 478.663 1.725 30 10 JDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1300904021 BORHYECLVJDKTH-FPOVZHCZSA-N 468.558 1.600 30 10 JDEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1301202597 MDGSRNSRGUFZCK-KRWDZBQOSA-N 498.563 1.990 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1301257448 AANSRNMXXVITKQ-RBUKOAKNSA-N 467.636 1.462 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)C 1301349819 SWUPPXUOPXRKFQ-ICSRJNTNSA-N 462.620 1.754 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCC(C)CC1 1301405597 TZGBWEDXHIPHBO-WOJBJXKFSA-N 466.652 1.910 30 10 JDEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1301446077 XQWJNBSLFFKSHK-CYBMUJFWSA-N 461.320 1.049 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1301480623 BOOQPSRJYWOXHY-OLZOCXBDSA-N 489.023 1.483 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1301509320 FYBXSWXTMPQKEC-QZTJIDSGSA-N 489.621 1.832 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(SC)CCN(C)CC2)C1 1301558354 VEOCXRHUPVKQSE-ROUUACIJSA-N 469.677 1.789 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1301587726 YBBJKPSMFJYHBV-FQEVSTJZSA-N 460.604 1.023 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CCC1 1314728716 DJGVSLFCNKBZNA-VPTFNQTCSA-N 461.613 1.989 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2csc(C)n2)CC1 1358929723 GWJFSYFVQOBQBW-LJQANCHMSA-N 493.659 1.112 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CCCN(C)S(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1358959557 LFUPODDFTXGWMB-LJQANCHMSA-N 479.628 1.243 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCN2CCOC[C@@H]2C)CC1 1359030978 LYLZIVIEUFNGGN-IBGZPJMESA-N 484.601 1.447 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cc(OC)ccc2OC)CC1 1359041920 MEGYYVHMLDOEMR-SANMLTNESA-N 497.596 1.962 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1359047516 JRDPOINBLBWIGG-DEOSSOPVSA-N 470.549 1.029 30 10 JDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1359168293 OKKMVRCTPVRGEH-MRXNPFEDSA-N 464.617 1.708 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359293351 NVDCYOXVRQVKQU-JKSUJKDBSA-N 465.551 1.873 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1359330574 WVZAFDUSOFWTNC-UHFFFAOYSA-N 481.582 1.366 30 10 JDEE C=CCS(=O)(=O)CCn1c(Nc2cnn(CC3CCC3)c2)nnc1[C@@H]1CCS(=O)(=O)C1 1359335593 PKEWEEUIFDIAGC-MRXNPFEDSA-N 468.605 1.521 30 10 JDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1501406719 GEACAEGJZTVHES-GOSISDBHSA-N 451.575 1.985 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1503264693 HWLOTPSGDOWQRH-LJQANCHMSA-N 473.603 1.451 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(OC(F)F)c1 1507536568 CRPOIQRSOCCOCC-HIFRSBDPSA-N 470.502 1.114 30 10 JDEE C#CCCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507556703 KVFHIJSPWXDFLG-OALUTQOASA-N 480.569 1.767 30 10 JDEE C#CCN(c1nnc(C)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507625522 JYFBJYNKILQWLX-VXKWHMMOSA-N 457.600 1.595 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1507632406 KSPKRCDCBBNRDV-KURKYZTESA-N 470.617 1.114 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1507633764 GXWHOCSQMMLYHD-VQTJNVASSA-N 492.671 1.107 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1507637344 AOCHLKVRIGRKOS-FQEVSTJZSA-N 470.599 1.363 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CC2CCS(=O)(=O)CC2)n1 1507717621 WYNWUUROXXBQOA-UHFFFAOYSA-N 462.620 1.883 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C(N)=O)cc2)CC1 1507741604 XSLMXGOKJRFYDN-SFTDATJTSA-N 480.569 1.115 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1507747852 YMFTUTQORDBKHT-HZPDHXFCSA-N 451.622 1.057 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CCOC2)CC1 1507751101 JUFGCOGEEBJAJN-OALUTQOASA-N 483.660 1.230 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1507791925 TZWVKLLIEIOLIS-IRLDBZIGSA-N 487.649 1.532 30 10 JDEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507964801 KXNUNWJNZVNQPF-HXUWFJFHSA-N 477.587 1.855 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1508059514 WFLIAKZKZWXBJP-AEFFLSMTSA-N 468.624 1.174 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1508093717 VOBZMENRRXWMIV-QGZVFWFLSA-N 459.595 1.685 30 10 JDEE C=CCSCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1508167945 LKDFBVAGZPGGPI-UTKZUKDTSA-N 450.609 1.794 30 10 JDEE CCc1ccc([C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)N(C)C)cc1 1513625739 BUEMBYPFILZMCT-NHCUHLMSSA-N 451.575 1.995 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCOCC2)CC1 1515993633 FWVYCMGCEJDEBU-UHFFFAOYSA-N 480.617 1.186 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)CC1 1516981168 HYIVKQNGJDQFIM-UHFFFAOYSA-N 496.616 1.244 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)N2CCOCC2)c1 1539046048 LMAUBSWJGOZKRI-PTLVVNQVSA-N 496.612 1.779 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1539200223 CKCWRTNHQODDOR-MRXNPFEDSA-N 495.527 1.801 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1539203954 WRQQCLXXWJAGCT-QRFRQXIXSA-N 478.546 1.599 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1539204599 AQNMQYMEOKVVAF-NJNPRVFISA-N 468.620 1.570 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(Br)n1)[C@@H]1CCS(=O)(=O)C1 1539215403 BCQHEBQQWQHASI-OAHLLOKOSA-N 488.371 1.568 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1539215627 HGRGDDNPOALVTG-SFHVURJKSA-N 465.583 1.785 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCNC(=O)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1539219524 KYVSUSRIOVBHII-HXUWFJFHSA-N 457.600 1.842 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1539229258 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CC(C)(C)NC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1541198867 DGZXKMAFQGDXEB-FQEVSTJZSA-N 483.573 1.774 30 10 JDEE CCC[C@@H](C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1546865421 GHGQQXSFPXJOLX-UYAOXDASSA-N 494.600 1.837 30 10 JDEE CCO[C@H](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)C(C)C 1547843213 AQOJMRBBVYCVPY-RTBURBONSA-N 468.624 1.802 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1588385160 FNCXYRCBGBNQOA-FQEVSTJZSA-N 498.613 1.316 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccnc2OC)CC1 1588892172 YPRBHIXPQGYIEE-RUZDIDTESA-N 482.585 1.736 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCOCC(F)(F)C(F)F)CC1 1588930137 OJSRHTXDFVYCBP-HNNXBMFYSA-N 461.460 1.665 30 10 JDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1589048231 YVXIYLARQSEWIX-IBGZPJMESA-N 455.632 1.783 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1589406664 ZBZCSNRYHZSLKH-IAGOWNOFSA-N 485.427 1.354 30 10 JDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(NC(=O)OC(C)(C)C)COC1)C1CC1 1595054735 PXORCQQNZSQOSU-HNNXBMFYSA-N 467.592 1.629 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1595303676 XXUIQVUJVIGJSD-KRWDZBQOSA-N 468.601 1.271 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1595334595 BCSAPMWBWSIQQF-SFHVURJKSA-N 460.604 1.540 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCCO[C@@H](c2ccccc2)C1 1595821184 ARLZDOMPJJKAKE-HXUWFJFHSA-N 473.599 1.969 30 10 JDEE C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)CC1 1596856844 CHCOIDRYBVHUTB-GOSISDBHSA-N 481.601 1.679 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCc1nnc2n1CCCCC2 1611663176 FCGDHESZUOZYSU-KRWDZBQOSA-N 497.629 1.957 30 10 JDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN([C@H](C)C(=O)NCCCOC)CC3)n[nH]2)c1C 1616471664 NUAODOOJKSEEIO-GOSISDBHSA-N 457.579 1.375 30 10 JDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1618086837 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1690150664 PVCZVXQRYOSPOY-GOSISDBHSA-N 475.640 1.721 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)c2ccccc2)CC1 1690375142 ANWTXXWFNUFTLX-QGZVFWFLSA-N 450.586 1.811 30 10 JDEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCNS(C)(=O)=O)CC1 1690402953 WIFPXZSSWVKZKH-UHFFFAOYSA-N 453.590 1.300 30 10 JDEE C=CC1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCNS(C)(=O)=O)CC1 1690410385 JUZNWTXIZHELGH-UHFFFAOYSA-N 471.587 1.627 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1690786932 PXKPXYWBSSBENW-XOMICKMZSA-N 452.519 1.104 30 10 JDEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)CC1 1690827861 WBXYVEPUOLOCHI-JOCHJYFZSA-N 468.558 1.983 30 10 JDEE COCCN1C[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1=O 1698078208 FXIHBYBDWIYCLL-RBUKOAKNSA-N 495.632 1.738 30 10 JDEE C#CCCCCn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705521535 DMCBTUOYYHYPCW-DVECYGJZSA-N 472.590 1.889 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccc(C)cc1 1705628674 MSARLVLJOGRFHY-CTNGQTDRSA-N 475.615 1.809 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccc(F)c(F)c2)CC1 1705639037 DRVHEBFUCZIVAU-MRXNPFEDSA-N 465.526 1.293 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)CC1 1705645834 HBHGJKPOXRGCCW-UHFFFAOYSA-N 480.594 1.607 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCCN2CCOC2=O)CC1 1705649707 FDUXBZYGTYKDPB-UHFFFAOYSA-N 464.570 1.985 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705693999 MYOQDHOWBVSLGO-FUHWJXTLSA-N 466.608 1.013 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@]1(OCC)CCOC1 1705707585 NXPCWJHXZCLQKQ-MSYCTHLASA-N 462.595 1.763 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)Nc2ccc(F)cc2)CC1 1705782015 MMYIQKOJDNBXBR-IBGZPJMESA-N 492.577 1.791 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1705896578 RFZRROYBMSHZOK-IBGZPJMESA-N 483.598 1.997 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1722363575 AKPFTCZQOQDRBN-KRWDZBQOSA-N 460.560 1.843 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1722440729 CSWFWYCCRJKWAO-LJQANCHMSA-N 487.004 1.761 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC(=O)N2CCCCC2)CC1 1722444351 XSSBVWMJKSMLFT-VWLOTQADSA-N 486.617 1.299 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCS(=O)(=O)CC2CC2)CC1 1722446505 YHTBOPYIRVSXMZ-UHFFFAOYSA-N 470.599 1.439 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1 1722473289 CEAIVRCGIGOKRH-DENIHFKCSA-N 459.572 1.682 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1722604071 TVUCVSKPRBUTAW-MOPGFXCFSA-N 482.651 1.708 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2nc(C)no2)CC1 1722618876 WOAJDTIIKMCXPZ-QGZVFWFLSA-N 465.580 1.653 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@](C)(C(N)=O)C1 1722699811 YYIFMKLWQIVQHI-QHCPKHFHSA-N 475.594 1.397 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccc(C)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740615791 LFFHOOACVSFZON-FGZHOGPDSA-N 498.653 1.752 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1740623314 RFEDMDMPGAHNIM-LPHOPBHVSA-N 473.574 1.973 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1740626061 RRQMNKGZOCPAHM-LJQANCHMSA-N 468.583 1.992 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc21 1740645498 GTZYFJJXJISNSD-RBUKOAKNSA-N 454.600 1.802 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1740656188 HXAMJIHXBQQHBG-QHAWAJNXSA-N 491.658 1.915 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCNS(C)(=O)=O)CC1 1740699422 GNBFPLUDXWRHDF-UHFFFAOYSA-N 460.604 1.168 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)CC1 1740709871 NAGLSWSHSPLQND-PXNSSMCTSA-N 452.515 1.481 30 10 JDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1740791607 MXTSSDZJOCXETK-UHFFFAOYSA-N 467.578 1.651 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1c1nncn1C 1740963131 AHPMUTXTRXDRQF-CQSZACIVSA-N 455.548 1.042 30 10 JDEE C=CCNC(=O)Cn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740966304 XNOVIDGMDAVOCI-XDNAFOTISA-N 487.605 1.598 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)NCC(F)F)C1 1740974584 NZXDJDZUNJUNFZ-OAHLLOKOSA-N 469.514 1.511 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCCCC2)C1 1740981508 PFKMZYLZIDYHPN-QZTJIDSGSA-N 469.608 1.088 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)C1CCC2(CC1)OCCO2 1740991532 YOXGODAUGDUXQR-KRWDZBQOSA-N 454.593 1.895 30 10 JDEE Cc1nccnc1CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1742642024 IEYVZOKZVVWNND-INIZCTEOSA-N 466.571 1.628 30 10 JDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C[C@H](C(F)(F)F)O1 1743253982 GDLOHYAHGXSRNM-WMLDXEAASA-N 499.515 1.912 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1747544692 HTNNEFWCBJRBAX-UHFFFAOYSA-N 492.628 1.676 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1748731612 HSNCMBOEYZCDFL-JKSUJKDBSA-N 450.540 1.884 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1748822088 XNJUQWGUHLWBCX-FQEVSTJZSA-N 485.610 1.805 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1c(C)nn(C)c1C 1748840521 DEONXTYNODANGJ-UHFFFAOYSA-N 450.572 1.710 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(CC)cc1)N(C)C 1748929081 CKNIBJPDMPGGCM-FCHUYYIVSA-N 488.658 1.936 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSCCS1 1749065715 AXWLDINMIUORDS-GPMSIDNRSA-N 471.674 1.452 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1749609113 AKSVMTOGDCVHLJ-GOSISDBHSA-N 457.560 1.483 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749652714 RNTQKYVZJIBBOQ-DOTOQJQBSA-N 471.537 1.900 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1749652788 SMPQRDXMZADEGA-CYBMUJFWSA-N 471.381 1.351 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1749660955 WXHBCSHFFBADAW-JOCHJYFZSA-N 462.602 1.724 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1749664192 HVMRUIGDQZHSPE-UHFFFAOYSA-N 464.567 1.685 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(C)C)C(=O)C1 1749725208 PCZGIMXWOWRQRU-UHFFFAOYSA-N 499.435 1.941 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2ncccc2F)CC1 1749731662 HPVAFRDWOAQWPA-QGZVFWFLSA-N 478.550 1.412 30 10 JDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760132950 SGGISTZCLCOTNJ-QUCCMNQESA-N 486.598 1.934 30 10 JDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)CN1CCOCC1 1760176055 YIJRKXILTVGGRC-RBUKOAKNSA-N 462.595 1.624 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1760184235 HNGUMTAFTFUHCE-ZHRRBRCNSA-N 457.556 1.059 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CC(=O)NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 1760190120 OGNXRBZBVPGWTP-QGZVFWFLSA-N 473.580 1.467 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760194973 UFRPYFBCAUYGNI-ZWKOTPCHSA-N 459.547 1.912 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(C(N)=O)CCOCC2)CC1 1760254720 HTOJCDUFEIEIPK-UHFFFAOYSA-N 487.402 1.745 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2oc(CC)nc2C)CC1 1760266035 ONGPPKQINSQRKB-DEOSSOPVSA-N 470.574 1.803 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@@]1(OC(C)C)CCOC1 1760328313 UEUBOHUIGBJGSL-ZCVJKFOLSA-N 477.606 1.595 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccsc1 1760336824 JVIYYGYYXMEOBE-XLIONFOSSA-N 469.633 1.983 30 10 JDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCS(=O)(=O)CC1 1760434024 QHGXKZFMTHXJPR-UHFFFAOYSA-N 453.590 1.396 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1760450310 IJNLHNUZYYKPFL-JKSUJKDBSA-N 465.542 1.846 30 10 JDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1760524359 WCJGSFJBSQBRMM-UHFFFAOYSA-N 479.632 1.514 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1760556274 YNAPBYPXIHVMPP-QUCCMNQESA-N 489.646 1.914 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC1(N2CCSCC2)CCCC1 1761462862 BJTYMDHALQXRLS-IAGOWNOFSA-N 469.681 1.988 30 10 JDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1767656182 IBAITTRPJJJJRS-HKUYNNGSSA-N 471.587 1.061 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2csc(COC)n2)CCO1 1769240472 FBBAZYYVTPZWKK-KRWDZBQOSA-N 453.528 1.419 30 10 JDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1 1858334113 CESGOZLQYNEYSC-LJQANCHMSA-N 490.607 1.782 30 10 JDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCN2CCOCC2)=C(N)Oc2c1c(CC)nn2C 1864323236 GNPAUVLTWIGIDN-FQEVSTJZSA-N 467.570 1.690 30 10 JDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)cn1CC=C 1870428416 FYHOZKXVNDYZSO-UHFFFAOYSA-N 463.542 1.702 30 10 JDEE C#CCOc1cn(C[C@H](c2ccccc2)N2CCCC2)c(CN2CCN(CCO)CC2)cc1=O 1870563571 HEOFELILMBPBOE-RUZDIDTESA-N 464.610 1.807 30 10 JDEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@H]1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2180980792 MOSUIQTUGXAAFL-IVSAIRAKSA-N 459.356 1.948 30 10 JDEE Cn1ncc(C(=O)N[C@@H]2CC[C@H]2NC(=O)OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2247782329 TZTWVUYIBKVPOL-QZTJIDSGSA-N 454.336 1.907 30 10 JDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255795891 ZBPLXACJMHXJHU-CYBMUJFWSA-N 476.426 1.553 30 10 JDEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255843225 DKUSBEPGCHYWDO-HKBQPEDESA-N 454.358 1.539 30 10 JDEE CC12CN(C(=O)OC(C)(C)C)C(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)(C1)C2 2256675053 DMYQZVHLHJRLJN-UHFFFAOYSA-N 450.370 1.987 30 10 JDEE CN(C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCO1)C(=O)OC(C)(C)C 2267148355 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CN(C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCO1)C(=O)OC(C)(C)C 2282535394 NQDHVSVIJRSFQD-HNNXBMFYSA-N 464.372 1.427 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CC[C@H]1CN(C(=O)C(F)(F)F)C2 2282589048 KFIPGALAAQXZLA-STQMWFEESA-N 456.274 1.405 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)C[C@H]2[C@@H]1CO 2282626095 DQADMMTYUGNUGZ-XHSDSOJGSA-N 462.352 1.879 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)CO[C@H]2C1 2282674345 JIWHOILCMSHIHD-SZMVWBNQSA-N 459.352 1.745 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CCC1(C)C 2282700223 OJADZDDBXMWOCW-UHFFFAOYSA-N 463.388 1.976 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC(C)(NC(=O)OC(C)(C)C)CC1 2282839053 YCRMQQJXRXXRFC-UHFFFAOYSA-N 485.416 1.182 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCON(C(=O)OC(C)(C)C)C2)n1C 2337190399 NJMODQODHBZDQB-AWEZNQCLSA-N 450.345 1.699 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Oc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2345676240 CAYFQTPLQWLRFN-CABCVRRESA-N 472.344 1.589 30 10 JDEE COc1[nH]c(=N[C@H]2[C@H]3OCC[C@H]3[C@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2365346679 XMQXPAICNNZVLA-LIRZEXBASA-N 461.368 1.904 30 10 JDEE COCCn1c(=NC(=O)c2ccc3c(c2)OCO3)c(C#N)cc2c(=O)n3cccc(C)c3nc21 4295476 LVIFLDFEQGMDBS-UHFFFAOYSA-N 457.446 1.946 30 10 JDEE CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@@]12C 253530586 NKDFYOWSKOHCCO-IPMWAQPFSA-N 480.642 1.854 30 10 JDEE biogenic C=CCOC(=O)[C@@H]1O[C@@H](OC(=O)[C@H](C)c2ccc(-c3ccccc3)c(F)c2)[C@@H](O)[C@H](O)[C@H]1O 253608676 ONIQYRINBFNODR-BXUSZDKKSA-N 460.454 1.676 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(CCCC)[C@H]2c2ccc(OC)cc2)CC1 492319780 IOEQKSBRZJTLBG-URXFXBBRSA-N 456.587 1.831 30 10 JDEE COC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1C 503698855 RDFCBJULDOZMDJ-UHFFFAOYSA-N 470.507 1.125 30 10 JDEE COc1ccc(CNC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1OC 514530330 YMPLEHPCTVVBAK-QGZVFWFLSA-N 472.567 1.587 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OCC2CC2)c(=O)n1C1CCN(C)CC1 517993139 FQFSFNZJOPQCST-UHFFFAOYSA-N 478.618 1.771 30 10 JDEE C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O[C@@H]5O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]5O)ccc4[C@H]3CC[C@@]21C 616587381 DYBBEZHAELJFKW-LEYHBBHLSA-N 472.534 1.178 30 10 JDEE CN(C/C=C/C#CC(C)(C)CO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O)Cc1cccc2ccccc12 616591388 XWKOYVRIRYSRSH-MNOJIDMQSA-N 483.561 1.766 30 10 JDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1cccnc1 729672754 GUYDCSSOBXBIIX-UHFFFAOYSA-N 472.574 1.615 30 10 JDEE C=CC1(CC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CN(C(=O)OC(C)(C)C)C1 1136288178 JHOGARKFEDRRME-UHFFFAOYSA-N 456.543 1.688 30 10 JDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C2CC2)C1=O 1286376539 LQNONZKYTHSTCO-HXOBKFHXSA-N 458.563 1.667 30 10 JDEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1286394797 WTYDHTNIZLECEL-IBGZPJMESA-N 482.610 1.845 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cnn(CCOC)c1)[C@H]1CCS(=O)(=O)C1 1286396082 UEFZXRKUISUKGP-OALUTQOASA-N 462.576 1.038 30 10 JDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)N1CCOCC1 1286450350 PUWVGOKXXUNSSW-UHFFFAOYSA-N 479.629 1.351 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CC(OCC)C1 1286462562 MQCBWLVGNMRTMJ-UHFFFAOYSA-N 452.515 1.610 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)s1 1286466365 FYKYHKCGMVREFW-OAHLLOKOSA-N 474.008 1.460 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2c(C)nn(C)c2C)n1 1286472631 ZPQHSDZKRGBJIY-HXUWFJFHSA-N 465.562 1.111 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCS(=O)(=O)NC(C)C)CC1 1286473915 VKTKOPBVSNZSCR-UHFFFAOYSA-N 476.603 1.045 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](Cc2ccccc2)OC)CC1 1286489791 DZBJNGLJFNUGHG-OAQYLSRUSA-N 459.554 1.959 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@](C)(O)c1ccccc1 1286521641 BLRIUGKEBFDHEL-TUACAJSNSA-N 487.626 1.901 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1286606505 RQCPKLNFNHIREU-LEWJYISDSA-N 475.638 1.053 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1286770768 VTVRHBKFMYCCQQ-UHFFFAOYSA-N 472.550 1.637 30 10 JDEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1286777902 NDBSWMAFSNEHEB-UHFFFAOYSA-N 459.967 1.745 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1286790678 VMBRLXNBNOPWEV-UHFFFAOYSA-N 464.551 1.965 30 10 JDEE CC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H](C)C1 1286882702 DJXOHMBQFIKEHA-PXFSWQRTSA-N 481.532 1.591 30 10 JDEE C[C@H](CN1CCOCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1288713448 AASOREIKXLIWPB-RTBURBONSA-N 467.574 1.364 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccccn2)n1CCC(=O)N(C)C 1291194810 DZJNZIPXDNAFOQ-KRWDZBQOSA-N 460.546 1.119 30 10 JDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC1([S@@](C)=O)CCC1 1298198081 DULIMAUUHATCGB-JGCGQSQUSA-N 456.572 1.413 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCC1(COC)CCCC1)[C@H]1CCS(=O)(=O)C1 1300479883 UFAPYXDPTWCKDA-SFHVURJKSA-N 465.620 1.640 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1COCC 1300537430 HFRKVMABAGNLKO-NRFANRHFSA-N 471.583 1.269 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1300578748 OJDHEYITEHMVCJ-ZEQRLZLVSA-N 495.649 1.934 30 10 JDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCN2CCN(C(C)=O)CC2)CC1 1300709924 LIOGYENBOQPHPI-UHFFFAOYSA-N 497.669 1.498 30 10 JDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(C)C)C(=O)C1 1300755580 XTHGMKUICAPLCX-UHFFFAOYSA-N 489.671 1.909 30 10 JDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1300844723 RWGVOGBDWCXKHT-DOTOQJQBSA-N 494.438 1.707 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1300990758 HLDBVOATUSQBKJ-HNNXBMFYSA-N 458.485 1.717 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1301501584 ZIFNXFKROFCHLV-AWEZNQCLSA-N 455.943 1.911 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1301519231 NSBYOUZVTVRHKO-MRXNPFEDSA-N 464.979 1.477 30 10 JDEE CC(C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1303275584 DSKQGOZAHGAZIL-SFTDATJTSA-N 472.615 1.970 30 10 JDEE CC(C)NS(=O)(=O)N1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 1307765386 BJZHTJPLWYNVAU-HNNXBMFYSA-N 453.634 1.934 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1358880983 WTQNIAGWFUCCLY-KSFYIVLOSA-N 462.572 1.748 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCN2CCN(C(C)=O)CC2)c1 1358901249 DZFMSCDKWUXATN-UHFFFAOYSA-N 465.602 1.796 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2CCc3ccccc3C2)CC1 1359029342 VFIIQQONNPYFDC-FQEVSTJZSA-N 485.658 1.092 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCc2cnn(C)c2)CC1 1359031605 ISAUACGGZKJYBH-UHFFFAOYSA-N 467.599 1.470 30 10 JDEE C#CCSCCn1c(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@@]1(OCC)CCOC1 1359061588 GVZRALXECNYSEI-FDDCHVKYSA-N 487.630 1.694 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](Cc1ccccc1)OC 1359069866 AETZNDRHDBASQH-AWRGLXIESA-N 487.626 1.861 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CC)C1 1359084343 FBASYZZJENJFPM-KGLIPLIRSA-N 464.386 1.135 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2c(s1)C[C@H](C)CC2 1359240853 YRMMEFRHOWLMNT-GDBMZVCRSA-N 466.633 1.863 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC2(CC1)COC(=O)N2 1359296185 ZTFPGXLIPRMNTD-UHFFFAOYSA-N 460.922 1.988 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C[S@@](C)=O)cc2)C1 1359321241 CLJMERZNNBRRNU-IYZCWWITSA-N 478.640 1.888 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(F)ccc(F)c2C1 1359332860 INIWGQNXAWYRAD-CQSZACIVSA-N 486.566 1.622 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(C)c1C 1359342786 FGCMDAQRTSWTFL-QGZVFWFLSA-N 469.637 1.209 30 10 JDEE N#Cc1cc(F)c(S(=O)(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)cc1Br 1463842512 HFUFLURKTLMXHO-GXTWGEPZSA-N 453.311 1.036 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507631129 BKCBKZVEBAGYCL-VQTJNVASSA-N 499.703 1.316 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1507633650 FYFFBHKNXLGYRO-IBGZPJMESA-N 473.628 1.925 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2=CCCOC2)n1 1507716078 GMMWIZHRDWTKFE-LJQANCHMSA-N 474.587 1.010 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1Cc2ccccc2C1 1507750667 BJJCJSSGCAPJCQ-HXUWFJFHSA-N 475.640 1.581 30 10 JDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507830526 FBBOBROQMQKDOZ-ROUUACIJSA-N 464.567 1.504 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1507844275 GVYLBABPWFVFCR-GHTZIAJQSA-N 453.609 1.074 30 10 JDEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCSC1 1508039735 PSTYYYGBCMAVAO-JOCHJYFZSA-N 459.620 1.959 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CCC[C@@H]21 1508134900 IHAPZWHQVZEIOX-MJGOQNOKSA-N 479.628 1.785 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1508142370 CLNLKZMBLIYOPJ-IBGZPJMESA-N 495.552 1.857 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1 1508144920 YYVJSBOYLYZPDR-UHFFFAOYSA-N 483.598 1.200 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(OCC(F)(F)F)nc1 1510188882 DIWNAMGEMGFSSU-SJKOYZFVSA-N 491.471 1.715 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)CC)c1 1539038742 UCPPTQXVDHVFMM-UHFFFAOYSA-N 472.571 1.005 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1scnc1C 1539072244 NSAQWYQWXDTWLQ-INIZCTEOSA-N 452.606 1.816 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1539203821 VQLPRQRCSBSOJY-JTSKRJEESA-N 477.587 1.324 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(O)CCS(=O)(=O)C1 1539306903 MGTZMHLEHVRJKZ-FQEVSTJZSA-N 495.374 1.859 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1539447893 YPFRKMBOVQFMAC-MRXNPFEDSA-N 464.496 1.848 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(N(C)C)nc2)CC1 1539459916 SBLWPZVLIWMKRY-UHFFFAOYSA-N 456.554 1.993 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1539467522 SZUAZHKVOCOYCT-SANMLTNESA-N 491.596 1.591 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)CC1 1539474782 YMVWOXZUQOZRNL-QHCPKHFHSA-N 475.597 1.629 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(O)(CCC)CCC 1539556520 DVKOEEVFHHFOEL-WIYYLYMNSA-N 467.636 1.934 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1540863016 NVTZRGCMYICXQY-GOSISDBHSA-N 463.583 1.032 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ncn(C)n2)C1 1540885380 HNCPKAALQPVHMF-KRWDZBQOSA-N 472.575 1.154 30 10 JDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1541893985 HQBBYSSAELCORT-INIZCTEOSA-N 463.560 1.140 30 10 JDEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1)S(C)(=O)=O 1547573106 FGFQDWZMQWZDCJ-FQEVSTJZSA-N 473.603 1.593 30 10 JDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cccc(OCC(=O)N(C)C)c2)CCOC1 1547891753 DDPICZDPIKZGEZ-BJKOFHAPSA-N 486.548 1.887 30 10 JDEE Cn1cnc(S(=O)(=O)N2CC3(CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C[C@H]2C(N)=O)c1 1548379859 JWQPDHYRVBNWFT-KRWDZBQOSA-N 496.515 1.846 30 10 JDEE CCCn1c(CCC(=O)N2CC(O)(CC#N)C2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 1567757665 DLJILCFGHBGEMJ-UHFFFAOYSA-N 459.572 1.650 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(CNS(C)(=O)=O)ccc2OC)cc1 1569332441 DDICFDACSXIFDG-UHFFFAOYSA-N 453.542 1.461 30 10 JDEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)NCCOC)CC1 1587812975 FWCKTUNEXIHSMG-UHFFFAOYSA-N 492.422 1.344 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588035616 WCPCSRGZIRGCMD-DENIHFKCSA-N 466.604 1.372 30 10 JDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1588049198 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C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1749657966 IIIKEEPXMVUSEJ-UHFFFAOYSA-N 458.954 1.634 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1749683466 UKAMDOLIEGOKEU-RXVVDRJESA-N 473.578 1.231 30 10 JDEE Cc1cc(C)n(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)n1 1751860412 FPTYIVKUAQQFSY-LJQANCHMSA-N 476.607 1.255 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(CC)c1 1760240711 ZRZCAPZRPGHWBX-MRXNPFEDSA-N 459.551 1.932 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1760441078 XTRCEUSWHBFTRN-LSDHHAIUSA-N 494.540 1.082 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](CC)O[C@H](C)C1 1760523766 HLGNKQOTXXAHJV-MJGOQNOKSA-N 454.579 1.758 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760552975 HYSRXQSJTJQAEI-NRFANRHFSA-N 461.544 1.585 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1760553264 QBGXGSBIXGBFOW-PKOBYXMFSA-N 459.572 1.612 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1760557085 ZSPFIWFVCWDCLG-RTBURBONSA-N 473.599 1.726 30 10 JDEE CC[C@H](C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(S(N)(=O)=O)cc1 1869934055 XPKRFXSSUQGJPS-SCLBCKFNSA-N 464.569 1.104 30 10 JDEE COc1cc(C(=O)NCC(=O)Nc2c(C#N)nnn2-c2ccc3[nH]ncc3c2)cc(OC)c1OC 1870140288 IVRCIWBIHZDPBP-UHFFFAOYSA-N 476.453 1.410 30 10 JDEE C=CCN1C[C@@H](C(=O)N2CCC(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)CC2)CC1=O 1872918256 XAEINRCVFYEGEE-FQEVSTJZSA-N 453.587 1.650 30 10 JDEE O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)NCC#CCN1CCOCC1 1889795532 KLFKCEYKZQGTBK-GOSISDBHSA-N 464.551 1.071 30 10 JDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(O)(C2CCN(C(=O)C(F)(F)F)CC2)C1 2124302012 GRPCQZHIZYCXKN-HNNXBMFYSA-N 461.481 1.667 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)C(C)(C)CO 2255932764 GCTOCSPLPNBVOA-UHFFFAOYSA-N 450.370 1.076 30 10 JDEE CC(C)(C)OC(=O)N1[C@@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)COC1(C)C 2267095604 FVGVDLFAUWDCIP-ZDUSSCGKSA-N 450.345 1.811 30 10 JDEE CC(C)(C)OC(=O)NCc1nc(=NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)s[nH]1 2267273712 QLPJYZZGPPHOMV-UHFFFAOYSA-N 461.353 1.931 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CO)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267361431 BOUQWKCGSFAEJV-CYBMUJFWSA-N 474.360 1.289 30 10 JDEE C[C@H]1[C@@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2267471573 IIYWUJCAYMAMKZ-LPHOPBHVSA-N 460.409 1.661 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1COCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267718040 NFEAKEGUXCUKGJ-AWEZNQCLSA-N 488.437 1.962 30 10 JDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267721547 RWXJFCMDTMXQIY-GJZGRUSLSA-N 488.437 1.960 30 10 JDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CNCCN2Cc2ccccc2)n1 2282032287 DNGWPZLDTULHJU-HXUWFJFHSA-N 450.392 1.893 30 10 JDEE C[C@@H](NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2282060190 STTRHNMXLLOSBV-GFCCVEGCSA-N 484.790 1.473 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H](CO)C1 2282174008 NZMYDFDGLFQIJG-DOTOQJQBSA-N 461.368 1.729 30 10 JDEE Cn1cc(C(=O)N2CCN(CCNC(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2282546371 VGOKIYHQXIAAMK-UHFFFAOYSA-N 463.388 1.002 30 10 JDEE CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2282551438 JNOXLPLETPQBRB-HUUCEWRRSA-N 464.372 1.474 30 10 JDEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282551457 DFYHHNNHRGFTRP-ZMSDIMECSA-N 464.372 1.520 30 10 JDEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282611305 JMJFLIWCWPVNIO-HUUCEWRRSA-N 463.388 1.880 30 10 JDEE CC[C@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1Cc1ccccc1 2282858360 VZMOHRDCEZJODH-SFHVURJKSA-N 475.424 1.399 30 10 JDEE CN(Cc1nc(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2283067544 GXIOYXWIXSWMJL-UHFFFAOYSA-N 459.316 1.513 30 10 JDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283961279 FRESAWGOBSNRGP-UHFFFAOYSA-N 461.368 1.285 30 10 JDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2283985398 IPQDPTUZGSUVJY-OAHLLOKOSA-N 463.315 1.799 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2288543281 PJIKUPNKBKDMSQ-UHFFFAOYSA-N 472.294 1.926 30 10 JDEE Cc1ccc(CNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2296174011 GPUXWCFSEJGFIK-UHFFFAOYSA-N 461.368 1.551 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(F)(F)C[C@@H]1CNC(=O)OC(C)(C)C 2296419757 XVSJZTYYVJEHTB-GFCCVEGCSA-N 471.314 1.489 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCc2c[nH][nH]c2=NC(=O)OC(C)(C)C)n1C 2362433864 WWLUXGMJKJRTKH-UHFFFAOYSA-N 460.344 1.450 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CO[C@@H](C1)[C@@H](NC(=O)OC(C)(C)C)C2 2362454420 YXOLATQIPYWOBQ-FBJOKTGGSA-N 462.356 1.274 30 10 JDEE COc1cc(NC(=O)CSc2nnc(N/N=C/c3cc(OC)ccc3O)n2N)cc(OC)c1 20527483 LGKIPOGRBROMEN-LSHDLFTRSA-N 473.515 1.900 30 10 JDEE CCCCOc1c(OC)cc(/C=N\n2c(S)nnc(CCC(=O)O)c2=O)cc1[N+](=O)[O-] 169883564 KJXGKIYWLPKSBK-GRSHGNNSSA-N 451.461 1.922 30 10 JDEE COc1ccc(/C(C)=N/Nc2nnc(SCC(=O)N3CCN(CC(=O)NC(C)C)CC3)[nH]2)cc1 253566835 JLARQWAXMXEUBR-PCLIKHOPSA-N 488.618 1.410 30 10 JDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1Cc1ccccc1 609220002 TTZKQKPXHDAWPK-UHFFFAOYSA-N 451.523 1.671 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 811831679 CVHJVQGQMMUBDL-UHFFFAOYSA-N 450.494 1.009 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCCC)cc1 1286296605 PWRIBLBXKDYPPF-YLJYHZDGSA-N 461.588 1.906 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2ncnn2C(C)(C)C)c1 1286308924 MSGKEBBFQUZIDL-UHFFFAOYSA-N 489.584 1.965 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C)N1CCOCC1 1286396025 CGSLASNHUJPRBP-SFHVURJKSA-N 454.962 1.655 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1C 1286428520 TXAGLNCAHGKZLP-KRWDZBQOSA-N 454.535 1.226 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1286471818 RJOKKIISVVNQCO-UHFFFAOYSA-N 464.574 1.411 30 10 JDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1286504580 SIQSCBBJGCSRMW-UHFFFAOYSA-N 453.494 1.996 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCNC2=O)CC1 1286542904 DXWXRVFUQOGLMF-UHFFFAOYSA-N 466.384 1.693 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1286592539 KHUMHMDINRSRNA-GOSISDBHSA-N 481.575 1.981 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1286785080 ANRCTLVDNGRUJU-DNVCBOLYSA-N 473.528 1.693 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286817202 QYHRBGIELLSXTH-CXAGYDPISA-N 486.953 1.699 30 10 JDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)[C@@H](C)C1=O 1287751263 DYGGBAFUMRBMGE-HNNXBMFYSA-N 459.501 1.891 30 10 JDEE Cc1c(Cn2c(-c3cccc(C#N)c3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)cnn1C 1289237751 HJRXVDZCWVMQLC-UHFFFAOYSA-N 468.587 1.767 30 10 JDEE C#CCn1cc(CNC(=O)c2cc(I)ccc2N2CCOCC2)cn1 1297369482 HTXJKSGKJGYTAV-UHFFFAOYSA-N 450.280 1.888 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1300484022 QHHAPKAQUONHEW-XUZZJYLKSA-N 487.626 1.893 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCNC(=O)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1300497435 BMNCTRGCSHTHOE-IBGZPJMESA-N 496.568 1.460 30 10 JDEE C#CCN(c1nnc(CC)n1C[C@@H](C)N1CCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 1300499782 WZTLJTDDJAKJMG-IFMALSPDSA-N 470.643 1.678 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1300559515 RHLTWQHXQKVGDV-RCZVLFRGSA-N 456.635 1.808 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@]1(O)CCS(=O)(=O)C1 1300657634 ZIRNZQJETWNAKX-AOMKIAJQSA-N 478.640 1.767 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC2([S@@](C)=O)CC2)CC1 1300715736 CHUMSAZUEOCPKY-JGCGQSQUSA-N 455.584 1.831 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)cc(F)c2C1 1300762285 HVPFFFCEJZJUDD-IBGZPJMESA-N 497.593 1.818 30 10 JDEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(=O)NC)CC1 1301239846 VUKNTYXNJSZAAP-UHFFFAOYSA-N 490.634 1.601 30 10 JDEE C=CCCOCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCNC(=O)C1 1301248804 KVXALSFIYBUJOV-UHFFFAOYSA-N 451.531 1.765 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1301489761 BHRWFTJOKVALHP-UWJYYQICSA-N 486.020 1.890 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1301509117 AIROTVFRRSPBRI-HNNXBMFYSA-N 470.559 1.647 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1301586842 OYNQFQLMLMYVLD-UHFFFAOYSA-N 489.671 1.977 30 10 JDEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1303329572 FYTNOUQQLQSLAN-NRFANRHFSA-N 480.617 1.867 30 10 JDEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)C1 1303950591 IDCWJDRVVKFVKW-HSZRJFAPSA-N 451.531 1.489 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1OC(F)F 1358890765 VLZZLQZPDQIORJ-SUMWQHHRSA-N 487.504 1.858 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2Cc2ccn(C)n2)c1 1358901515 NIJVNGXXDOAQNS-DEOSSOPVSA-N 463.542 1.768 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1358967086 DDDYTCUCWTYQQY-INIZCTEOSA-N 450.536 1.784 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)c1ccccc1 1358978124 DKLKCNZRIIVXIJ-UHFFFAOYSA-N 489.605 1.999 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)c1ccccc1 1359010081 GDICDLNFRRASKR-ICSRJNTNSA-N 460.604 1.595 30 10 JDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@](C)(O)CCOC)CC1 1359034602 XFCGMYFVOAAANM-QHCPKHFHSA-N 451.531 1.137 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@](C)(O)CCOC)CC1 1359039935 BFDMPJRZONUNCR-YDIMBITNSA-N 476.622 1.592 30 10 JDEE C#CCSCCn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359061787 MEOMXOZUYMVTET-JOCHJYFZSA-N 475.594 1.941 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCOC1 1359098560 CLCGPOLBIIFGFU-MKXGPGLRSA-N 469.608 1.065 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1359189062 ZRQGXGIJPKBVGQ-RTBURBONSA-N 480.679 1.819 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(F)(F)F)C1CC1 1359251032 ADRGRWFQVRHXDI-CQSZACIVSA-N 453.487 1.692 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO1 1359254852 GDJADFBBWPRTMP-LEWJYISDSA-N 491.614 1.991 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnccn2)CC1 1359308888 BLOOHSIGZBXGNJ-SFHVURJKSA-N 498.613 1.618 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C[S@](C)=O)cc2)C1 1359321243 CLJMERZNNBRRNU-SQDCYFTFSA-N 478.640 1.888 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1359331434 YYGYDQWESNLJJG-HXUWFJFHSA-N 457.491 1.637 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCC(C)(C)C)CC1 1359332702 DXIHHTWOZUXZSS-SFHVURJKSA-N 487.692 1.339 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCO[C@]2(CCOC2)C1 1359335575 PAYPUWFXQSSQOV-JOCHJYFZSA-N 478.571 1.462 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C2CCCC2)CC1 1359343200 OFAVWOFJNRJGEF-HXUWFJFHSA-N 498.719 1.985 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1507626555 OEIIGYLSHZITFX-UTKZUKDTSA-N 479.628 1.759 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1507628819 YMRIWQUUBZBDDA-KRWDZBQOSA-N 491.524 1.855 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1507632798 PUIZGMHTSLDMKA-GDBMZVCRSA-N 462.601 1.118 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1507634365 YLONVFJCIJKOGI-CABCVRRESA-N 466.514 1.575 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1507635852 ZZHNEFJYNSQKDS-RBSBEOHCSA-N 452.577 1.403 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC2CCOCC2)CC1 1507736973 VYCUWUUNMAVCJR-KRWDZBQOSA-N 480.635 1.061 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCSC1 1507773334 PYNGAYHBTNZFJR-ABSDTBQOSA-N 453.634 1.746 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)CCCS(C)(=O)=O 1507797685 DZFNGCDQXGFPGL-KXBFYZLASA-N 465.576 1.858 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507996196 GYMZRIBTSFIALR-KNQAVFIVSA-N 462.572 1.880 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccccc2C)CC1 1508143501 MFSRPIJBYRKOLE-UHFFFAOYSA-N 486.642 1.632 30 10 JDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1518629482 CESITZANBZDNEE-GPMSIDNRSA-N 451.531 1.982 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H](OCC)C(C)C)[C@H]1CCS(=O)(=O)C1 1539221107 NPSLJTWRZFWXON-OKZBNKHCSA-N 451.593 1.307 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N(CC)CC)nc1)[C@H]1CCS(=O)(=O)C1 1539222696 XCLCLKTVVPSCMN-OALUTQOASA-N 485.614 1.145 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)[C@@H](C)CCC 1539257093 FMBYBLFCSDRGKA-SFHVURJKSA-N 459.554 1.817 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1539477820 ZOXZOISVOLJDCZ-FGZHOGPDSA-N 499.660 1.332 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(OC)cc2C1 1539498148 QIEBPEZCCNRAPU-HNNXBMFYSA-N 479.628 1.835 30 10 JDEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1539519496 JARKWNVQZCBWGC-UHFFFAOYSA-N 466.633 1.873 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1540036805 VBPYLBLFSUIPSO-RTWAWAEBSA-N 480.679 1.378 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1540863913 JJGBFHICBDFYTA-FQEVSTJZSA-N 474.631 1.982 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1540866021 ABZBHXXVTCXAFK-UHFFFAOYSA-N 482.994 1.381 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1540869079 ATCZTSHLSMSCLT-ZDUSSCGKSA-N 469.468 1.381 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1540870475 OGOTUFAYJMQZLZ-AZUAARDMSA-N 458.607 1.949 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1540871752 SPLZTCOQFKFEEZ-QUCCMNQESA-N 459.639 1.548 30 10 JDEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N(C)C)CC1 1547474858 HFXPCQRTRVPIAL-IBGZPJMESA-N 452.607 1.757 30 10 JDEE COCCOCC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C(=O)NC1CC1 1548369459 GFYKQRPEFATHEF-SFHVURJKSA-N 454.449 1.536 30 10 JDEE C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)COC(=O)[C@@H](N)CCC(=O)O 1565535531 PMBTXCFVSKWSHR-JLPWXBLGSA-N 491.581 1.525 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588070055 VKTCOYMKXGBOFV-GOSISDBHSA-N 461.563 1.719 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(-n3ccnc3C)nc2)CC1 1588752121 PTWAJDZMJHFUCQ-LJQANCHMSA-N 464.574 1.695 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@]2(O)CCOC2)CC1 1588954784 LQUQOBMOJSIRPC-VWLOTQADSA-N 467.570 1.189 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1589708189 GEVOSKXMQZGPRG-KRWDZBQOSA-N 476.603 1.826 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1 1595116110 PIJQOPHBEOVQBI-OFNKIYASSA-N 475.615 1.965 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1595496867 JFHOLABUWJEOLF-HXUWFJFHSA-N 483.617 1.481 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1595506532 CNYTYROYRRDPJB-INIZCTEOSA-N 456.547 1.710 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C(N)=O)C1 1595804711 FPESDLMMPLKRIC-AWEZNQCLSA-N 453.515 1.450 30 10 JDEE CCc1nn(C)c(OC)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1613897405 BMVXHRIRGXFJHO-XOBRGWDASA-N 464.596 1.371 30 10 JDEE N#Cc1cccc(NC(=S)N[C@@H]2CO[C@@H]3[C@@H]2OC[C@H]3n2nnnc2Oc2ccc3c(c2)OCO3)c1 1616132296 WHCVFMXALYMAGZ-SMOSDQRPSA-N 493.505 1.760 30 10 JDEE C=C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(CC)CC1 1622745233 JYBXSBLLGCIFJF-QGZVFWFLSA-N 453.609 1.527 30 10 JDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO 1623202674 FRPHEHSZGHOHEJ-RBDMOPTHSA-N 456.568 1.224 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(C(C)C)C1 1689853664 XBXXESIKASAHQM-GBESFXJTSA-N 452.625 1.189 30 10 JDEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1689984902 XUWDGMZWMCINLW-GOSISDBHSA-N 466.567 1.645 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC(=O)NCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689987788 CGNGRSGKVSONBO-OAQYLSRUSA-N 492.605 1.982 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689997222 YBLQEPGRZLQOHE-HXUWFJFHSA-N 473.647 1.641 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1690033304 UVSDQOUZHZYGSM-ZWKOTPCHSA-N 480.635 1.901 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC(=O)NCC(F)F)CC1 1690117416 HCJAOWPQBWOPOW-UHFFFAOYSA-N 462.501 1.489 30 10 JDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1690465123 SHOLCWVGMHMIEE-FQEVSTJZSA-N 461.636 1.982 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1690643810 XISIVOLKQCUWLK-NQUPLYSKSA-N 467.617 1.732 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1690662810 DWCMRSZNPBAVKU-QQMNAOGKSA-N 489.598 1.424 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1690664068 JSYBWTBJXAZFMQ-UYAOXDASSA-N 483.617 1.966 30 10 JDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1690715602 PCLBQJIBTJNIBK-UHFFFAOYSA-N 453.590 1.088 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690717949 WJEBCVRYXUJLCL-UHFFFAOYSA-N 485.614 1.064 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCNC(=O)[C@@H]1CC 1690720436 JESURGVAAPZNIR-IBGZPJMESA-N 454.556 1.809 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1690724961 ZPIMCQHQQKRHAE-WOJBJXKFSA-N 494.639 1.229 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)OC)CC1 1690726826 MXKXTIVGCKFUIY-UHFFFAOYSA-N 463.560 1.389 30 10 JDEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)c(=O)n1C 1693100885 AVXACMGSSFPJNH-NRFANRHFSA-N 496.593 1.798 30 10 JDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1697016253 BSPSWWFTRCFMLH-SFHVURJKSA-N 487.586 1.015 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1cnn(C)n1 1705495081 KJAXNFSPJUBNIM-FUHWJXTLSA-N 458.567 1.806 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCCN2CCOC2=O)c1 1705503886 HSVBYXYJCZGSQS-UHFFFAOYSA-N 467.530 1.315 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1705561179 NXEVTKGHYAPFDH-KNKQGSTJSA-N 464.588 1.291 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705569336 CAKYPULUTTZBPU-HXUWFJFHSA-N 459.616 1.844 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCSC1 1705623388 QCSLZOHWGKRUFP-OAQYLSRUSA-N 479.628 1.149 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1705628185 ZUQNQGYSTGCWNI-SLFFLAALSA-N 459.570 1.952 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)CC1 1705696424 NWIZUVYUTPXPMH-PXNSSMCTSA-N 459.572 1.656 30 10 JDEE C=C(C)COCCn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1705740863 ZAVFEQPMBLYRPJ-UGKGYDQZSA-N 483.635 1.527 30 10 JDEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705886818 RFLSIGHBWJWLBY-UHFFFAOYSA-N 450.341 1.796 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1705890835 LEGGUJBKWKMLLW-GOSISDBHSA-N 495.005 1.413 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1705896012 ZQWZXTMNRICTJE-LAUBAEHRSA-N 486.020 1.890 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(C)COCCO2)C1 1705919343 BXJKNPODCDASBF-PGRDOPGGSA-N 462.572 1.935 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1705928383 DVMZTBNWRKKUHG-WMZHIEFXSA-N 476.599 1.805 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCO[C@@H](C)C1 1705934201 DWGYETDOJNZMIX-KRWDZBQOSA-N 486.598 1.891 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccsc2)CC1 1705936192 LLYRYTGOCDSPCV-SFHVURJKSA-N 499.684 1.165 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCN1CCOC[C@@H]1C 1706626234 FYVMTJFLBFOZKK-RXVVDRJESA-N 467.574 1.587 30 10 JDEE Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)c(C)c1 1707499653 BKLRWGGUYPESEV-MOPGFXCFSA-N 460.560 1.005 30 10 JDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CCN1CCOC 1709335131 FZDATDKDPXINLA-JOCHJYFZSA-N 481.601 1.613 30 10 JDEE CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 1709422502 HAMIYYAWKFKILE-UHFFFAOYSA-N 485.614 1.737 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(O)CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1722358808 LVCFQFDYDHWNIF-CPJSRVTESA-N 499.637 1.657 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN(C(=O)OC(C)(C)C)C1CC1)[C@@H]1CCS(=O)(=O)C1 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C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722604035 SSDUJROLNHSFFZ-DLBZAZTESA-N 470.596 1.244 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1722618853 VZNKQXLAIQDWAM-MSOLQXFVSA-N 453.609 1.709 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1722686087 RQAAEBITNKMSOU-LJQANCHMSA-N 474.587 1.150 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1722699656 WYDXQUSGILTICX-IBGZPJMESA-N 483.573 1.723 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1723603803 HVJMZDGLMXYSAI-NRFANRHFSA-N 499.641 1.435 30 10 JDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)C(C)(C)C 1729195547 FRZIYVJMAUHUIZ-UHFFFAOYSA-N 467.617 1.901 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)C(=O)OC(C)(C)C 1740552467 OACQGVMGVUMOQM-IAGOWNOFSA-N 484.623 1.326 30 10 JDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740566326 SHDQUQVVQYAAAM-UHFFFAOYSA-N 472.615 1.362 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1740622491 DODVISGNQHSCFQ-MRXNPFEDSA-N 470.555 1.646 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1740624304 FFMBNVYVVGBKKJ-LJQANCHMSA-N 461.563 1.549 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1740624805 KKTPYUPGAKFTGY-HXUWFJFHSA-N 466.567 1.733 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCc1ccco1 1740683773 FFSXXRMJMHVODR-UHFFFAOYSA-N 475.509 1.187 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)c2ccc(C)cc2)CC1 1740695981 IKKJGGOPWKVKLJ-UNMCSNQZSA-N 486.642 1.478 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1740704233 KKQHFBYHEQIISY-UHFFFAOYSA-N 480.573 1.568 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCC(C)CC2)CC1 1740824812 CABJDNJGDBXIMZ-FQEVSTJZSA-N 466.652 1.889 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nncn1C 1740916059 BRCIMYOACCIZTB-SFHVURJKSA-N 452.544 1.421 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1740944576 ROXJOPOYSBZYSZ-QGZVFWFLSA-N 465.601 1.539 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)NC[C@H]2C1 1740993451 BDCKHMGQTLSAPS-SFHVURJKSA-N 474.587 1.289 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1740994071 MAGFONHRINYEIM-QHCPKHFHSA-N 475.615 1.858 30 10 JDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1745883358 HCOGVZPYSAUNIB-HXUWFJFHSA-N 492.628 1.818 30 10 JDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1745953351 GPHOZDZQJUXJNW-IBGZPJMESA-N 454.560 1.591 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCN1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 1748817665 NUETVKDWDMZFGQ-SFHVURJKSA-N 451.637 1.340 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1748821178 MYHJSQSBIWBZHV-GOSISDBHSA-N 469.571 1.277 30 10 JDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)c1ccccc1 1748842292 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CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1OS(C)(=O)=O 32107044 LPVHBCBYCLTQLX-GNWGRXFHSA-N 477.535 1.892 30 10 JDEE C=CCN(C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 512060559 VMYOBKJJMNUKEM-HNNXBMFYSA-N 493.401 1.004 30 10 JDEE COc1ccccc1-n1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnn3ccccc23)c1=O 729670885 PBOVLCLBCORCGX-UHFFFAOYSA-N 473.558 1.831 30 10 JDEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)cc1 1084651066 CDHGZQDRSSVPRR-UHFFFAOYSA-N 483.510 1.727 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCc2ccccc21 1286296221 NBSAWTILGRPULC-NQIIRXRSSA-N 472.615 1.522 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2Cc2ccc(C(N)=O)nc2)c1 1286309353 KJLSTHBYYRXWGZ-UHFFFAOYSA-N 454.494 1.872 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H]1CC(=O)N(CCOC)C1)[C@@H]1CCS(=O)(=O)C1 1286387347 QCVDEIRYOOYOKS-ZWKOTPCHSA-N 489.573 1.206 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286392784 NTKHWTIVSCSXNT-LJQANCHMSA-N 473.599 1.177 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1286394110 GVLXTKIDOOFIGW-FUHWJXTLSA-N 496.586 1.058 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1286395988 TXHBKOOEDYNJKT-PERKRYKHSA-N 462.547 1.456 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1286398699 MRANVKSNPMNYIB-LEWJYISDSA-N 471.583 1.957 30 10 JDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCN(CC)CC3)nc2)CC1 1286469534 IMSYMWUTTYDYNK-UHFFFAOYSA-N 450.635 1.916 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1286481727 XBZCPQZYLCWOAJ-OAQYLSRUSA-N 457.600 1.868 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(C)COCCO2)CC1 1286492436 LHYGWNWKMABTTR-XMMPIXPASA-N 471.533 1.768 30 10 JDEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1286592027 CQAKJKJGNOUPLN-UHFFFAOYSA-N 459.576 1.627 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1286813380 ULQJVECBWPQMPF-HOTGVXAUSA-N 465.601 1.486 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2OC)CC1 1286823708 PLQXGJKNOHRVDQ-UHFFFAOYSA-N 488.614 1.337 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1286825057 LGWWFJOCVINCIO-BVBHFADKSA-N 454.593 1.607 30 10 JDEE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4n(c3C#N)CCOC4)CC2)c1 1289682670 DNMULYANHXAGKZ-UHFFFAOYSA-N 457.512 1.527 30 10 JDEE C[C@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)C[C@H](C)O1 1291289048 CRMFZQUXRUEYOW-ROUUACIJSA-N 458.588 1.551 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@@H](C)C2)CCO1 1299133457 IEPUQOXJDIDRLG-GHTZIAJQSA-N 467.574 1.269 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C(=O)OC)Oc3cc(F)ccc32)s1 1300196086 ZCLWIZMRMABTKH-INIZCTEOSA-N 454.501 1.861 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1300334544 PFYAFWLLOQUQQE-IBGZPJMESA-N 478.578 1.755 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1300365119 PQLGQPUSEVFTAR-WOJBJXKFSA-N 475.619 1.761 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1300412103 YAZVVZZSCQJXKM-OTWHNJEPSA-N 453.609 1.666 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OCCO)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1300479789 SBMXFTTUOZZPII-SFHVURJKSA-N 476.599 1.630 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1300487876 MXJFIKTWWLWJPE-UZLBHIALSA-N 460.585 1.275 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1300504285 LEJQOCBJPCJIFH-IBGZPJMESA-N 459.572 1.191 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300657941 VWPYKHNLEXIQCS-FQEVSTJZSA-N 470.498 1.182 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CC(C)C)CC2)CC1 1300700250 NKOBHAIPIUTZQF-IBGZPJMESA-N 464.636 1.193 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(CCC)C(=O)OC(C)(C)C)CC1 1300700743 VJYAUVGJHBGDDL-LJQANCHMSA-N 494.662 1.583 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1300725590 IQSYNWWAIODFKW-OAQYLSRUSA-N 464.570 1.498 30 10 JDEE C=C(Br)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C)C(=O)C1 1300856358 BUMWHBRZEULWDC-UHFFFAOYSA-N 488.434 1.830 30 10 JDEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1 1301008943 DSFNQBQCWUXDAT-WIYYLYMNSA-N 460.535 1.766 30 10 JDEE C=C(Cl)Cn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301061911 YWRRUDLAKJBWCO-LEWJYISDSA-N 466.970 1.886 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1301569542 YRGUBAPYZXCGAY-FRRDWIJNSA-N 473.543 1.124 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](C(=O)OC)C1 1301585438 AULXXQAEVNNNBX-HNNXBMFYSA-N 453.590 1.624 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccnc2C)CC1 1301588799 JMQSLNBXFRIPND-SFHVURJKSA-N 461.592 1.546 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(CC(=O)N(C)C)CC1 1301588962 MWRAIZPPQDDQKU-SFHVURJKSA-N 453.609 1.815 30 10 JDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1301615781 WFFLZHUPVBKUCO-IBGZPJMESA-N 455.588 1.950 30 10 JDEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1)C(C)C 1315196898 FJGJBNBHNCJSOJ-OAQYLSRUSA-N 451.575 1.888 30 10 JDEE COc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)ccc1C 1315315364 DYGANFFHFRWWLL-WIYYLYMNSA-N 478.550 1.418 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c(C)nn(C)c2C)c1 1358902582 SILAINZCONMODC-IBGZPJMESA-N 495.609 1.635 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1358905186 UUQRWJPSWKEOIH-SFHVURJKSA-N 474.635 1.932 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1358922868 UXTAVTLYFHEPJI-DEOSSOPVSA-N 486.642 1.910 30 10 JDEE C#CCCCn1c(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@]1(OCC)CCOC1 1358935402 HNYWHEVMYUUXCT-PTLVVNQVSA-N 458.607 1.332 30 10 JDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1358948679 IDLDMGQQEOWCSW-IRXDYDNUSA-N 451.593 1.897 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCNC(=O)c1cc[nH]n1)[C@@H]1CCS(=O)(=O)C1 1358956645 ITJPLAZLAQBVOL-WOJBJXKFSA-N 495.609 1.600 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1358963201 DKBLWSNBHVPILR-IEBWSBKVSA-N 497.042 1.703 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCCCN2CC)CC1 1359031678 LOGBLZNHDKXWDV-JOCHJYFZSA-N 499.685 1.825 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2cccc(C(N)=O)c2)CC1 1359039984 DDPYHHHBEHKSHS-SFTDATJTSA-N 452.559 1.099 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](CC(C)C)N(C)C)CC1 1359043872 MHJGRXKKZYSQCL-IBGZPJMESA-N 483.617 1.948 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(C)(C)CN1CCOCC1 1359100245 YVDBLOUQGLAETJ-ACRUOGEOSA-N 495.690 1.956 30 10 JDEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1359124680 YIRUXYIIESQUII-INIZCTEOSA-N 452.519 1.974 30 10 JDEE C=C(Cl)Cn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1359156487 HNHTZWVCAQWUKZ-OAQYLSRUSA-N 453.971 1.758 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1359291411 PEUDVQAGHHZFFW-AEFFLSMTSA-N 467.530 1.384 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccon1 1359310545 ZBKREYKHAVFPFM-FQEVSTJZSA-N 488.570 1.849 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)CC=C)C1 1359322657 ZZGNCAYSSJXXIO-ZWKOTPCHSA-N 453.609 1.995 30 10 JDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1359328209 WTZDTFVLSOGUPF-UHFFFAOYSA-N 460.604 1.510 30 10 JDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1359337925 GGGQNEZIBAWFCP-QGZVFWFLSA-N 462.601 1.843 30 10 JDEE C[C@@H]1CN(C(=O)Cn2cc(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)cn2)C[C@@H](C)O1 1360446834 DOISYVNBADMOKP-NUJGCVRESA-N 450.499 1.382 30 10 JDEE N#CC1(CNC(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)CCOCC1 1457105483 CYLIXXISHCAUAR-UHFFFAOYSA-N 457.508 1.944 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC(C)(C)c2ccc(OCC(C)C)cc2)CC1 1468704364 PABIFUIHYSUQGC-UHFFFAOYSA-N 450.605 1.794 30 10 JDEE C#CCOCCN(C)S(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1475803247 LVHCPFOCCOWKDD-UHFFFAOYSA-N 451.282 1.657 30 10 JDEE COc1ccccc1SCc1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)N1CCOCC1 1504447862 GOLVFDQRCWJDFY-OAQYLSRUSA-N 460.535 1.880 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(CS(C)(=O)=O)CC1 1507540513 ZTGOPJBCRSXDPZ-IAGOWNOFSA-N 481.619 1.869 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1c[nH]c2ccc(F)cc12)[C@H]1CCS(=O)(=O)C1 1507623437 SBGHMFLSBRAFNV-SFHVURJKSA-N 486.573 1.906 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507640081 OZYWAGMLXGQVIB-KRWDZBQOSA-N 491.589 1.928 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C2CC2)C1=O 1507652770 JAAGDYXITQXDIL-CLOONOSVSA-N 482.585 1.670 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](F)COC)CC1 1507734904 CLCYJHCKBPLYGN-GOSISDBHSA-N 459.522 1.913 30 10 JDEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507782878 BCJYGBUEIQNJHI-QGZVFWFLSA-N 460.380 1.992 30 10 JDEE C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1507828701 CARXEFIEZBWDBU-ZACQAIPSSA-N 477.591 1.381 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1507836830 AYLCGJRPEGZKMF-KRWDZBQOSA-N 496.659 1.895 30 10 JDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C(=O)NCCCOC)CC1 1508057617 FPYBAINBPZMMTI-UHFFFAOYSA-N 475.619 1.793 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1508079834 DQEXZEWKCOHJBL-UHFFFAOYSA-N 451.535 1.101 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1508095529 XALDPLGQSDYVEJ-GOSISDBHSA-N 453.503 1.737 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@]3(CNC(=O)C3)C2)cc1 1508097747 TUBAWTCRBUHKDX-KSFYIVLOSA-N 474.587 1.218 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(C(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 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C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCC[C@H]1C(=O)N(C)C 1539260680 UCXHBWAMAYYQRQ-IBGZPJMESA-N 465.558 1.021 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCN2CCN(CC)CC2)CC1 1539459269 BRHMOMYGUKUELM-UHFFFAOYSA-N 484.674 1.052 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1539496569 HIXVRQRDFQIJSM-HNNXBMFYSA-N 484.598 1.860 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1539517897 TUZZRTHVWGNGPX-KRWDZBQOSA-N 494.712 1.888 30 10 JDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1539714602 OGVUNXMINSEJEO-PKOBYXMFSA-N 471.631 1.835 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](NC(=O)OCC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540875898 AXHLXHMEPQBQAG-VGOFRKELSA-N 464.567 1.336 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2ccco2)C1 1540904451 NFEMIBMKGUETMB-HOTGVXAUSA-N 454.574 1.368 30 10 JDEE C#CCC[C@H](O)CNC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 1556348834 CDCFBETYYKBYEK-UONOGXRCSA-N 459.362 1.411 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1587705675 GLIUDYSIERPWNJ-MRXNPFEDSA-N 462.551 1.684 30 10 JDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOC)C(=O)C1 1587856435 LEEJNSFNNKCGSM-UHFFFAOYSA-N 452.563 1.161 30 10 JDEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1588039638 BBLIYFXIXPREIH-KRWDZBQOSA-N 494.415 1.859 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1588040601 PDMNIOURSPVXMI-KRWDZBQOSA-N 470.555 1.371 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1588050980 YPIRQKXULOTGAX-GOEBONIOSA-N 457.585 1.930 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N1CCCCC1 1588099148 IBJAHBBTPJNYPW-UHFFFAOYSA-N 453.568 1.824 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1588386643 QNDZWDLJKNBRTR-FGZHOGPDSA-N 471.627 1.645 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C(=O)NCC)cc2)CC1 1588961647 HFCHLUFYECNFCC-UHFFFAOYSA-N 491.596 1.164 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)[C@H]1C 1589568707 LLGVULPXIOUICX-GJYPPUQNSA-N 458.588 1.918 30 10 JDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1594812879 MBSOMQBLWRGCAS-FQEVSTJZSA-N 462.595 1.093 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C 1595171495 VNHNOVVNLNUWIE-SFTDATJTSA-N 480.617 1.584 30 10 JDEE C=CCn1c([C@H]2CCOC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1595399032 QFBGMDMLHZSISC-DLBZAZTESA-N 481.619 1.876 30 10 JDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(S(C)(=O)=O)CC1 1595428614 VMEHRJPPMDLXJZ-UHFFFAOYSA-N 458.632 1.842 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1595506701 JUAOTTPQPQUSHJ-NRFANRHFSA-N 479.990 1.924 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1595506707 JVVAOFCLFXKFOT-UHFFFAOYSA-N 485.589 1.895 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1595544521 JHIVMZCRAPKATK-KRWDZBQOSA-N 455.519 1.709 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1595555848 JCORCESAEXVWKA-UHFFFAOYSA-N 459.554 1.457 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3CCN3CCOC[C@@H]3C)CC2)c1C#N 1612469646 DDEUMOZAZZXXNL-SFHVURJKSA-N 469.638 1.828 30 10 JDEE C#CCNC(=O)CN1CCCN(c2ncnc(CC(C)C)c2I)CC1 1639437348 ZGMRHWNCYVQIJH-UHFFFAOYSA-N 455.344 1.541 30 10 JDEE C=CCN(C(=O)Nc1ccc(C(=O)N[C@@H](C)C(=O)OCC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1667578625 QDSAZKKACSNGAQ-ZFWWWQNUSA-N 455.508 1.714 30 10 JDEE COc1cc(OC)cc(N2CC[C@@H](NC(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)C2)c1 1678379712 AYWKDEPIFZEVCG-DLBZAZTESA-N 451.531 1.864 30 10 JDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 1684851292 DXGRUVQTUSJSFV-UHFFFAOYSA-N 451.549 1.446 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCO[C@H]2C)c1 1689868406 FWKMYSDOCQARGX-YZYNAAERSA-N 497.596 1.915 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1689977898 GOEXGUIVTPZNHO-KRWDZBQOSA-N 476.628 1.457 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1689981746 AOUHLJDEHPNXIJ-WFXMLNOXSA-N 450.561 1.250 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1689983682 FEJQCOJOWMZYLH-SFHVURJKSA-N 461.975 1.751 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689987954 GJEAOBQPHRQBJT-JBACZVJFSA-N 498.653 1.985 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1689990568 PZZGSVHPAFFDTG-AQNXPRMDSA-N 463.604 1.405 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1CC(=O)NCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689994089 QTTGWCAQSRTEIK-JOCHJYFZSA-N 483.638 1.996 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c(OC)c(OC)c1 1690019889 UBWWXNQSWTZGJR-MRXNPFEDSA-N 462.959 1.972 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCC[C@H]2C)CC1 1690115270 ZAULXOBTFGFFQS-LJQANCHMSA-N 456.616 1.588 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1690139878 DADRDRJAVBJNIY-RUZDIDTESA-N 480.569 1.406 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1690145893 AKPIVZDSQXRWOD-QXAKKESOSA-N 465.620 1.207 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1690182757 GFYGGWVMOMEEQF-LJQANCHMSA-N 481.630 1.904 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCO[C@H](C)C3)nc2)C1 1690684829 PFHYIJKMARMLTA-UYAOXDASSA-N 469.590 1.866 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1690724339 MSFRLAHGBBEWDL-WMZOPIPTSA-N 450.565 1.084 30 10 JDEE CC(C)CN1CCO[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(N)=O)C2)C1 1692433680 DDNUSHITBCYMKR-LEWJYISDSA-N 451.575 1.875 30 10 JDEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1692868184 GEMPOEFSRYSTBO-UHFFFAOYSA-N 475.571 1.284 30 10 JDEE CN(C)c1cccnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1696608865 BHEGAAMFHFFRSL-UHFFFAOYSA-N 460.542 1.797 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(C)C 1705495918 XMNFKGATEKYGGQ-XLIONFOSSA-N 461.588 1.904 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCC(=O)NCCC)c1 1705503796 FCTVBWYFVKVSSH-UHFFFAOYSA-N 465.558 1.487 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1705560705 JNWGMIAKWYGTKC-WWMYMODYSA-N 479.628 1.817 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1cccn1 1705589882 WVNZIWNZXQHGOI-SFHVURJKSA-N 451.556 1.585 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1705652246 STVXIDKFDQYMDG-JOCHJYFZSA-N 455.588 1.593 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1705656087 UDBMWBVULJZEEQ-HZPDHXFCSA-N 484.669 1.973 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)nc2OC)CC1 1705782508 YJFUUBDPPPBCCP-GOSISDBHSA-N 492.602 1.474 30 10 JDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705805178 AVBGEXGTTHKDOH-ROUUACIJSA-N 473.665 1.644 30 10 JDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1705829337 NSELOUKICCUCMH-HXUWFJFHSA-N 473.622 1.347 30 10 JDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1705900649 LCMOPESBJUZSNR-UHFFFAOYSA-N 499.641 1.989 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccc(O)cc2)CC1 1705902812 JXGWRTYFFSITCG-SFHVURJKSA-N 459.572 1.572 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccc(C)cc2)C1 1705925501 QAEQTAUIWCGXBK-VQTJNVASSA-N 473.599 1.700 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1CSC 1705947041 YJJBRVXHAKZXMN-JKSUJKDBSA-N 461.679 1.862 30 10 JDEE CO[C@H](Cc1ccccc1)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1711527234 HBMOAGXAKVNORZ-DFQSSKMNSA-N 476.603 1.465 30 10 JDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1712102663 BCEPWMPOPGIRIS-BGYRXZFFSA-N 481.601 1.611 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCCC)c1 1722306839 WAPVVSPFPPBBMX-UHFFFAOYSA-N 474.525 1.508 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1722316933 OOVBLLBRAVGLPM-UXHICEINSA-N 490.674 1.553 30 10 JDEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1722365813 FMSIROFJJCSQSA-ZWKOTPCHSA-N 498.609 1.727 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@@H]1COCCO1 1722394643 ZKSNDZMQVFDLNW-GOSISDBHSA-N 456.572 1.507 30 10 JDEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCOC(F)F)CC1 1722432896 IIFTXIHIMWGIFR-UHFFFAOYSA-N 481.573 1.931 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(NC(=O)OC)c2)CC1 1722433416 UWDWSWNWKNJXCB-DEOSSOPVSA-N 468.558 1.912 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2ccc(C)n(C)c2=O)CC1 1722440987 HMPSFARNRGDFRD-UHFFFAOYSA-N 462.554 1.676 30 10 JDEE C=C(C)COCCn1c(N2CCN(c3nccnc3C)CC2)nnc1[C@@]1(OCC)CCOC1 1722538575 REINWANOWGLOOF-HSZRJFAPSA-N 457.579 1.948 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1722556073 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C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 1740625611 GYFCECKLMFHFPQ-LEWJYISDSA-N 458.584 1.994 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCNS(=O)(=O)c1ccccc1 1740642896 YOHIPBIEFXFNQM-UHFFFAOYSA-N 454.581 1.685 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCS(=O)(=O)C1 1740686959 YQVNOVMKUKARDP-YLJYHZDGSA-N 460.556 1.701 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(OC)CCOC2)CC1 1740696479 VNVVIGIVDHJASE-CYFREDJKSA-N 490.605 1.147 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCN(C)C(C)C)CC1 1740696533 WHOBJGQEWRTAJK-HXUWFJFHSA-N 475.638 1.682 30 10 JDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1740870841 WSVSVOCNFALIEJ-UHFFFAOYSA-N 454.556 1.971 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1740932115 HLFMEXZQBFVXEF-HOTGVXAUSA-N 463.526 1.622 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2ccccc2F)C1 1740951539 IBGAEYNUFULBID-SFHVURJKSA-N 465.489 1.945 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCN2C2CC2)C1 1740973297 UXVYFLISVRELQA-NZSAHSFTSA-N 452.625 1.687 30 10 JDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1747659469 AXXKGDTYCBOPAT-AVRDEDQJSA-N 490.655 1.789 30 10 JDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCc1nnc2n1CCCCC2 1747996822 AVJXGFCJZQTMEF-UHFFFAOYSA-N 468.587 1.858 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCOC[C@H]2OC)c1 1748690475 SLWQNFPHOFWADK-AZUAARDMSA-N 468.558 1.524 30 10 JDEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCNS(=O)(=O)CC 1748776322 DZXRNZIKZOHSJZ-UHFFFAOYSA-N 456.366 1.725 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748805401 RDEGHWYMSKZFAU-IMSXRSKXSA-N 493.674 1.677 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748808102 HXFLNRBRSSXIFP-LJQANCHMSA-N 489.623 1.657 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)CN1CCN(CC)CC1 1748840735 IISRHKSDZYDOOI-NRFANRHFSA-N 496.685 1.585 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1749033090 YXGPBKBDZBNZTA-OAHLLOKOSA-N 451.556 1.225 30 10 JDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1749220913 SMMMWQXRQPDUOD-UHFFFAOYSA-N 486.602 1.486 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1749342531 IAFCVVBVRMOHMF-LEWJYISDSA-N 496.678 1.370 30 10 JDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1749456658 JOWMALYKDFIBQR-QHAWAJNXSA-N 487.649 1.448 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1749676356 NMCJOPGDKYYGJP-UHFFFAOYSA-N 454.604 1.570 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)COC)C1 1749713528 UKAJTQNQDTUGPW-IRXDYDNUSA-N 457.597 1.065 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C(N)=O)CC1 1749726796 FDEQYZCZKUKJQJ-UHFFFAOYSA-N 463.560 1.265 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CCCCCC1 1750966103 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1760249751 RUZYGIVYEQBGHL-FQEVSTJZSA-N 479.578 1.387 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2noc(CC)n2)CC1 1760260869 FZHCRCNQKRPGJU-UHFFFAOYSA-N 454.560 1.213 30 10 JDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1760307430 RJNQYESTIAYAMH-GJZGRUSLSA-N 463.398 1.721 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NC(=O)COC)CC1 1760368389 ABCHAYIBMIOEAP-UHFFFAOYSA-N 467.979 1.833 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1760526955 KDAYWQLEHBFGJY-LJQANCHMSA-N 467.530 1.643 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1760548265 BZEHAECRIVXIJA-KKSFZXQISA-N 469.608 1.182 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1760552261 IRFSQOAQGOPOKC-UHFFFAOYSA-N 480.594 1.832 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](COc2ccccc2)C1 1760553831 JGEXZHZXRGDMOW-FQEVSTJZSA-N 472.571 1.564 30 10 JDEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N2CCOCC2)cc1 1760719103 BFQPSVGDGYTNSH-FQEVSTJZSA-N 468.558 1.742 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC1(O)CCOCC1 1761234081 BZXQVZYVUJLGAS-UHFFFAOYSA-N 487.992 1.809 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc(Br)cn1 1761362794 IDNSLYIENXUQCY-STQMWFEESA-N 456.370 1.578 30 10 JDEE CN(C)C(=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)CCCC1 1766845798 DHDGAMJPXQMJQJ-UWJYYQICSA-N 462.620 1.959 30 10 JDEE COc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)ccc1OCCO 1768307985 IDXKBPCTWUTSRT-FDDCHVKYSA-N 489.598 1.738 30 10 JDEE CS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1770336638 HINQPWJEMNMUST-IBGZPJMESA-N 475.596 1.390 30 10 JDEE N#Cc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N3CCCNCC3)cc2)c1 1858987576 DFQAKGGDYPIBNS-UHFFFAOYSA-N 455.540 1.224 30 10 JDEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(O)c(O)c1 1865723342 NFBWHXBEQBRUPX-KRWDZBQOSA-N 472.542 1.667 30 10 JDEE Cn1nnnc1SCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCCN1CCOCC1 1870232610 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CC(C)(C)OC(=O)NC[C@@H](CO)NS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267710377 UNWLPQGHBCVWNN-KRWDZBQOSA-N 470.397 1.291 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC(NC(=O)OC(C)(C)C)CC1 2267716056 HHVKYPOWZBKKHO-UHFFFAOYSA-N 470.401 1.397 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268642168 QXOYYLKUYVDORE-STQMWFEESA-N 468.385 1.518 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CCCN(Cc2ccccc2)CC1 2282311322 HAMHQOHXOILYTG-SFHVURJKSA-N 475.424 1.447 30 10 JDEE CC(C)(C)OC(=O)N[C@](C)(CO)CNS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2282489882 IBKOZJPZMFLWTH-QFIPXVFZSA-N 484.424 1.681 30 10 JDEE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)COC1 2282512253 RQJPQKHXYMUDKE-UHFFFAOYSA-N 482.408 1.699 30 10 JDEE Cn1cc(C(=O)Nc2nnc(CCNC(=O)OC(C)(C)C)o2)c(B2OC(C)(C)C(C)(C)O2)n1 2282576358 PPRCBJUXAXOPMY-UHFFFAOYSA-N 462.316 1.422 30 10 JDEE Cc1c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593730 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30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)CC1 492375745 LZIZTEMWHCFINA-OALUTQOASA-N 462.616 1.413 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2OC(F)F)CC1 512718720 RTYRSLJEXICLEX-KRWDZBQOSA-N 450.486 1.339 30 10 JDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CC(=O)Nc3ccccc3C(N)=O)cc21 586347124 ZEDGANHHSIRWBO-GSLRCMBYSA-N 469.519 1.656 30 10 JDEE C#CCN(C(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 729330629 BWCNBVFBBIDEFZ-HNNXBMFYSA-N 466.503 1.413 30 10 JDEE CCOc1ccc(OCC)c(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cnn4ccccc34)c2=O)c1 729672412 MUSMTLPAFSOVEI-UHFFFAOYSA-N 489.557 1.593 30 10 JDEE O=S(=O)(c1ccc(NC(=S)NN=Cc2ccc(O)c(O)c2O)cc1)N1CCOCC1 885968809 UDZPPIOKMXQGHW-UHFFFAOYSA-N 452.514 1.145 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(c3sccc3C(=O)OC)C2=O)n1 1229829958 AOIHCPANUOUGHW-QGZVFWFLSA-N 459.528 1.328 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)N1CCOCC1 1286275004 MLACUYFDXWAWIJ-DLBZAZTESA-N 459.620 1.725 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1286394775 KJVDERQDAXXNFJ-UEXGIBASSA-N 463.604 1.088 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1286454424 WWSSQJNHFFMKEA-HZPDHXFCSA-N 456.613 1.851 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCS(=O)(=O)C(C)(C)C)CC1 1286481835 YGCIMOSXNQTGAD-HXUWFJFHSA-N 473.599 1.759 30 10 JDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCCN2CCC[C@@H]2CO)CC1 1286482305 PTTSMHQMWACVSU-OAQYLSRUSA-N 457.648 1.626 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(=O)NCC(F)(F)F)CC1 1286484588 RXLHXDOKRXIISI-UHFFFAOYSA-N 466.464 1.299 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(OC)CCOC2)CC1 1286492402 KDSJBKBJTNTKIA-RUZDIDTESA-N 483.569 1.637 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1286546509 JPMMMILJGYQYDR-MPINGQCISA-N 483.635 1.642 30 10 JDEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1286585071 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C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(F)cc(F)c1 1595796579 AJOOVUIYPUDIPO-OAHLLOKOSA-N 474.555 1.696 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccc(N(C)C)nc1 1608562884 DTIZHMZYSQRXJA-UHFFFAOYSA-N 474.573 1.519 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccco1)N(C)C 1611307401 CAVSQDJASXPWLS-JFIYKMOQSA-N 465.580 1.245 30 10 JDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)c1ccco1 1612880188 BDPYVIWWNGTXOB-MRXNPFEDSA-N 463.498 1.419 30 10 JDEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1)S(C)(=O)=O 1615619155 ABNRAPWBBVEVAJ-UHFFFAOYSA-N 494.643 1.502 30 10 JDEE C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1616868611 CFDPZLBDNIMYMP-AWEZNQCLSA-N 450.561 1.877 30 10 JDEE CCCCn1c(N)c(N(CC)C(=O)CN2CCO[C@@H](c3cccc(C#N)c3)C2)c(O)nc1=O 1616920352 AIMYSPVFTYTNJH-GOSISDBHSA-N 454.531 1.629 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H](C2CC2)N(C)C)c1 1689868883 UHHYWFWEVLSESX-HXUWFJFHSA-N 451.575 1.813 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)N(CC)CC 1689965695 BIKFYJAQKQJAJZ-NHCUHLMSSA-N 474.631 1.764 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1689977916 HEHFLXTVZWPMDJ-SFHVURJKSA-N 464.636 1.308 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1689992037 GFQCWXCSQMARBT-CABCVRRESA-N 463.510 1.052 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN1CCCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689998771 WBQXTDFEKLWUKM-VAMGGRTRSA-N 465.620 1.257 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1COCCO1 1690048919 STDKNBYQACCRGM-WOJBJXKFSA-N 473.574 1.855 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1690170822 RCTZGSSWSQHHJR-SFHVURJKSA-N 456.547 1.584 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1690174930 MGSWOXFWFLRGEX-RTBURBONSA-N 467.661 1.095 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1690301393 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C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H](C(N)=O)C1 1705896501 OQQQXTAWYBRCTA-CYBMUJFWSA-N 477.363 1.720 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCCN(C(=O)C2CC2)CC1 1705936449 RBGKIFLBCDNVQK-SFHVURJKSA-N 451.593 1.569 30 10 JDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1705948004 FWRFVBHCCCVMCP-SFHVURJKSA-N 461.636 1.902 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)[C@@H](C)C1 1705998027 SSQFRJDATMCGHF-SFHVURJKSA-N 467.574 1.948 30 10 JDEE C[C@H]1CCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1708040127 BSGVLGTZKJUZEA-MBSDFSHPSA-N 488.614 1.752 30 10 JDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CCOC1 1710482555 HAIISDGFIWOPCL-PNLZDCPESA-N 464.567 1.820 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1722360536 AFJBMTOGERCZOK-KRWDZBQOSA-N 492.001 1.760 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1=CCc2ccc(OC)cc21 1722384832 VPPHMENKZSDUBQ-HSZRJFAPSA-N 495.605 1.722 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCS(C)(=O)=O)CC1 1722433328 QXUQZDCNUAZQKC-UHFFFAOYSA-N 453.572 1.525 30 10 JDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1722441051 NPBBPQPHMJIELA-OAQYLSRUSA-N 486.642 1.251 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1722447276 GZPMWTJJHSWNHI-RBUKOAKNSA-N 498.550 1.749 30 10 JDEE C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722485996 QZKMNGDULCSBIM-AWEZNQCLSA-N 491.346 1.018 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1722495560 XSFOFNTWHRNVMA-FPOVZHCZSA-N 475.638 1.388 30 10 JDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCNS(=O)(=O)CC)CC1 1722568779 ZQRRGSDBKCANOC-UHFFFAOYSA-N 452.606 1.755 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCc2ccccc21 1722680901 CRUFBBRHJVLMOL-REWPJTCUSA-N 491.614 1.084 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1722703188 WCDGZTWSXDZJJL-OAQYLSRUSA-N 482.585 1.722 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CCOCC)CC1)[C@H]1CCS(=O)(=O)C1 1740625227 DWBQREBEOHJFDJ-MSOLQXFVSA-N 484.644 1.014 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)cc2F)CC1 1740691192 WQYHZSVEXNNLMP-AWEZNQCLSA-N 454.959 1.484 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2nnc(CC)s2)CC1 1740703140 HLYMCBVMGHBRCD-QHCPKHFHSA-N 487.630 1.747 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(CC)(CC)OC)CC1 1740705273 DDPVIODTSSFDMZ-GOSISDBHSA-N 465.620 1.351 30 10 JDEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)N1CCSCC1 1740764304 CUWAGOUHUXCDAK-UHFFFAOYSA-N 479.632 1.706 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740767047 OPVAPVPFVHAETA-BZSNNMDCSA-N 488.680 1.495 30 10 JDEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1CCN1CCN(C(C)=O)CC1 1740776505 SDOLNDKTRMVGOQ-UHFFFAOYSA-N 459.620 1.836 30 10 JDEE C=C(Cl)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1740803016 FZRPNSZFKQBGSU-ZDUSSCGKSA-N 451.984 1.966 30 10 JDEE C=CCn1c(COc2ccccc2CC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1740948983 XIQVQXDYTWBEGS-UHFFFAOYSA-N 466.546 1.072 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)C1CCC2(CC1)OCCO2 1740991533 YOXGODAUGDUXQR-QGZVFWFLSA-N 454.593 1.895 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1740993291 WHBFDCYQMCFDJK-QAPCUYQASA-N 450.634 1.908 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)NCC)CC1 1740993591 ALMNQWKGFGTLKC-UHFFFAOYSA-N 485.614 1.733 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(C(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1740993781 IRXRGMYLSUUYRZ-NRFANRHFSA-N 455.625 1.452 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)CCO1 1741103226 AFJVDMZWNJXMKP-JOCHJYFZSA-N 467.574 1.005 30 10 JDEE Cc1cc([C@](C)(O)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)c(C)o1 1742093210 DXEKZCHXONCAGR-CWFSZBLJSA-N 451.524 1.740 30 10 JDEE CN(C)S(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1747607197 HKJAKNQEOVSUCT-NRFANRHFSA-N 481.582 1.605 30 10 JDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1748713186 PHVZQVLZDAZHFE-NRFANRHFSA-N 452.607 1.770 30 10 JDEE C#CCN(c1nnc(C)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1)[C@@H]1CCS(=O)(=O)C1 1748805546 UJMCEEZIPHGKER-WOJBJXKFSA-N 457.556 1.379 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1748805960 YPPRPAHQBRWETA-LQWHRVPQSA-N 468.645 1.841 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1748818302 ADJMYIRRZJUIFZ-ZJSXRUAMSA-N 483.569 1.937 30 10 JDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748821439 QLKWJAYCIBYCEF-HXUWFJFHSA-N 482.610 1.776 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1748836344 VNCKHUSXWMMXOP-HXUWFJFHSA-N 499.501 1.647 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 1748973259 ZLFFOMLUEOMELE-OAHLLOKOSA-N 497.021 1.362 30 10 JDEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749204858 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C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCOC[C@H]2C)c1 1760126335 VIVCVPGYSKEPJF-ZIFCJYIRSA-N 488.614 1.617 30 10 JDEE C#CCCCn1c(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1760159495 IEPXXOTVXPKHOI-REWPJTCUSA-N 495.646 1.363 30 10 JDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1760163538 ZWQXKQFWUXLOFO-RTBURBONSA-N 451.593 1.564 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1760183794 TVMBIUSCDHIPRS-SFHVURJKSA-N 450.524 1.600 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C/C=C\c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760191676 LPPWDGMGPYCSCC-ATYVUACHSA-N 453.568 1.741 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sc(C)nc1C 1760219957 UEVJJUBASODEQX-GOSISDBHSA-N 476.628 1.390 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCN(C(C)=O)CC1 1760243878 SZRGLZSHEQFBAB-UPVQGACJSA-N 498.603 1.945 30 10 JDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(C(N)=O)c1 1760247766 OLJHYEGOHYWWNW-UHFFFAOYSA-N 481.582 1.471 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(OC)C2CC2)CC1 1760264770 DZSWJTGLJLLKDX-XMMPIXPASA-N 465.558 1.706 30 10 JDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(OCC(N)=O)CC1 1760277564 OVSITZBGIAVYLY-UHFFFAOYSA-N 457.556 1.553 30 10 JDEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1760280051 MEFONFCDIOGWTE-INIZCTEOSA-N 465.583 1.708 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC(C)(C)C1 1760282283 ZAPHWDVZXPKQTB-MRXNPFEDSA-N 471.649 1.371 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCNC2=O)CC1 1760357914 PEQIFERVQOSGSJ-QGZVFWFLSA-N 466.608 1.157 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1760411988 TZCFLANXARAEOP-DLBZAZTESA-N 450.609 1.836 30 10 JDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCN(CC)CC1 1760461058 JEAPYESTFMDHAQ-UHFFFAOYSA-N 460.652 1.888 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1760517816 YWTWTHUMNOKJHD-KRWDZBQOSA-N 474.587 1.003 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1760554269 XRKCYOJGPUMQDM-QGZVFWFLSA-N 460.560 1.213 30 10 JDEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1760562230 BMDLJBJEPRLTDV-GOSISDBHSA-N 478.644 1.890 30 10 JDEE CCN1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](c3cccc(C#N)c3)C2)CC1 1767096922 DWVOVKDMGCSKNR-REWPJTCUSA-N 494.644 1.892 30 10 JDEE C=CCNC(=O)NC(=O)C[S@@](=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2074705212 PHTJBCQVRKDSET-NVXHTHCOSA-N 499.545 1.739 30 10 JDEE CC(C)(C)OC(=O)NCc1nc(=NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)s[nH]1 2255666553 VTDAUXGDJTYASG-UHFFFAOYSA-N 467.382 1.993 30 10 JDEE CC1(C)OB(c2csc(S(=O)(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)c2)OC1(C)C 2255751036 TTYONCYNFUSMCT-INIZCTEOSA-N 468.328 1.879 30 10 JDEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2255837196 LIYKULLSPHMDNK-ZDUSSCGKSA-N 453.370 1.808 30 10 JDEE CN(C(=O)OC(C)(C)C)C1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255943327 RHJQQMKVWHKGQA-UHFFFAOYSA-N 453.370 1.621 30 10 JDEE Cc1nc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c(B2OC(C)(C)C(C)(C)O2)s1 2267165923 LJEJLWGXBNTSMD-UONOGXRCSA-N 467.397 1.851 30 10 JDEE Cc1cc(S(=O)(=O)N(CCO)CCNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2267361338 AFFQBSQPIMULIB-UHFFFAOYSA-N 490.453 1.863 30 10 JDEE C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267365167 LCXKVULABDBVIP-QGZVFWFLSA-N 460.409 1.614 30 10 JDEE CC1(C)OB(c2cc(F)cc(F)c2S(=O)(=O)N(CC(N)=O)Cc2ccccc2)OC1(C)C 2267466730 GIUKKNAQWGDMLL-UHFFFAOYSA-N 466.315 1.940 30 10 JDEE CC(C)N(CCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)OC(C)(C)C 2267705994 PJAJSNQKFDRRKC-UHFFFAOYSA-N 473.405 1.038 30 10 JDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@]3(O)CCN(Cc4ccccc4)C3)c2)OC1(C)C 2267711296 JHQRSWMTCXOUHL-QFIPXVFZSA-N 478.445 1.963 30 10 JDEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2281955673 NWTLILJVZXWECD-LSDHHAIUSA-N 463.388 1.880 30 10 JDEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282038703 LQOGONLVEDAYTJ-DYEKYZERSA-N 458.290 1.637 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)CC2(C)C)n1 2282660498 ZQWKCMZFDTUBOC-AWEZNQCLSA-N 463.388 1.880 30 10 JDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2282832142 KGEGNYRFDLZEIZ-GFCCVEGCSA-N 497.370 1.663 30 10 JDEE C[C@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2282836252 HOJZJONGTSELHP-LSDHHAIUSA-N 484.428 1.643 30 10 JDEE Cc1nc(NC(=O)[C@H]2CC[C@@H](O)CN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2284128417 GWKREOBLLONASF-GDBMZVCRSA-N 462.356 1.783 30 10 JDEE COc1cccc(C=C2Oc3cc(OCC(=O)N[C@H](CC(N)=O)C(=O)O)ccc3C2=O)c1OC 2297474372 FMOAXLGTXJKOCG-OAHLLOKOSA-N 470.434 1.144 30 10 JDEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3N=Cc3ccc(O)c(OC)c3)CC2=O)cc1 2325880863 ZSFFRHCCHZJSCH-HNNXBMFYSA-N 496.549 1.981 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2334390947 QUEWDZITIXVANG-YLFCFFPRSA-N 452.357 1.554 30 10 JDEE CC(C)(C)OC(=O)NC[C@]1(O)CCCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337405946 ACALXWVPBLHSKT-OAQYLSRUSA-N 467.397 1.934 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)C(CO)(CO)NC(=O)OC(C)(C)C)s1 2344196932 LHSXXVCYIZFIET-UHFFFAOYSA-N 470.397 1.220 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)[C@H](C)C2)n1C 2362489940 NIVRWNXFQKPVSR-DGCLKSJQSA-N 458.290 1.557 30 10 JDEE CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC[C@H](NC[C@H](N)CS)C(C)C)C(=O)O 19362759 QISLMXIYRQCLIR-MUGJNUQGSA-N 470.705 1.381 30 10 JDEE CCn1c(N2CCN(CCO)CC2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 33468076 UMEMQENTWDENSW-AQTBWJFISA-N 491.639 1.010 30 10 JDEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3ccc(I)o3)N2N1 588226968 ZWAVZAIDDRYPHR-HNNXBMFYSA-N 464.288 1.946 30 10 JDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1[C@H](C)c1ccccc1 729668591 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1.829 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1359306969 WTPMPYKNQCDVBP-SCTDSRPQSA-N 462.595 1.435 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCS(C)(=O)=O)C1 1359315076 NMKRQDWDYIUSNH-AWEZNQCLSA-N 458.382 1.872 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1359329915 ZEGCSHWMRZLCDP-QGZVFWFLSA-N 489.598 1.764 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1359337293 NHUWGCUGFJNMTI-OAHLLOKOSA-N 487.721 1.811 30 10 JDEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1 1503620690 GQDOTRPNAAOOHX-JGCGQSQUSA-N 458.588 1.408 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1507624947 FMTOISZAJBRQBZ-KRWDZBQOSA-N 494.664 1.871 30 10 JDEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCS(=O)(=O)CC=C)[C@@H]1CCS(=O)(=O)C1 1507630219 UVIPJLMRDVVGHE-LJQANCHMSA-N 499.618 1.721 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[C@H]2COCCO2)CC1 1507735184 NHZDBPSWIFCENZ-FQEVSTJZSA-N 483.569 1.734 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507799429 JXAYHZFDHYYMHZ-SUMDDJOVSA-N 466.608 1.071 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CC 1507820460 DMFMEDJZEXDHQK-OALUTQOASA-N 454.641 1.888 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1507915749 YOVKEQJMZXSKGH-OALUTQOASA-N 467.684 1.707 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2sc(C)nc2C)C1 1508126479 RPINGKXASRPQQT-ZWKOTPCHSA-N 496.659 1.708 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2ccccc2OC)C1 1508144180 CGKPONTWLSGNOJ-ZWKOTPCHSA-N 494.639 1.784 30 10 JDEE Cc1cnn(C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCS(C)(=O)=O)CCO2)c1 1511414591 DZLJKPCXXLBGRD-LJQANCHMSA-N 455.544 1.272 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCOC2)c1 1539038738 UCALJNNHVMUEBE-LJQANCHMSA-N 450.543 1.997 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 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C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(F)F 1588386115 MUUVHYXDRUEXBU-QGZVFWFLSA-N 469.514 1.720 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2noc3c2COCC3)n1CCCNS(C)(=O)=O 1588482485 SGTGVAQDAGGBSD-UHFFFAOYSA-N 488.545 1.724 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1588645689 BBIFCHCAJGBFJY-QZTJIDSGSA-N 483.635 1.816 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2CC(=C)Br)n1 1588694779 CTNWMBBMAWSUDX-UHFFFAOYSA-N 476.379 1.905 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1588884755 MSUYSSJZMRBUHV-UHFFFAOYSA-N 478.597 1.756 30 10 JDEE C#CCSCCn1c(COCC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1589116062 CIVSLKHGDANOKG-BGYRXZFFSA-N 462.664 1.808 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(F)cc2)CC1 1593635882 BKQFETXRKOGRCM-IBGZPJMESA-N 464.567 1.653 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(CS(=O)(=O)N(C)C)cc2)cc1 1595191318 HMLWHTXJNLJYQB-UHFFFAOYSA-N 451.570 1.472 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1595640093 SQPGBIHAYOQHFS-RTBURBONSA-N 469.542 1.487 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1595766656 VLLLBZKTHXVYKF-SFHVURJKSA-N 461.588 1.907 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1595772955 KNUMOAPWMWNFKZ-RBUKOAKNSA-N 454.556 1.475 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1595811824 BYAJXECOVXGJAS-QFIPXVFZSA-N 471.587 1.350 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1595822667 IMXWOCJTVDULIL-UYAOXDASSA-N 473.599 1.790 30 10 JDEE COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)cc1F 1619284105 AGPACLJLVYWQPY-KNQAVFIVSA-N 492.577 1.937 30 10 JDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCn2c(nnc2C(F)F)C1 1626532092 AXXICUPIBSBDEH-ZDUSSCGKSA-N 452.487 1.711 30 10 JDEE C#CCN(C(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1629538951 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CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CC1 1696975611 AYUWBDWVVMNILA-UHFFFAOYSA-N 459.576 1.061 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCS(=O)(=O)CC1CC1 1705482331 XBFOZUOCXKWKEP-INIZCTEOSA-N 479.628 1.478 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OCCOC 1705495571 RPZAXZSILVKPFM-WIYYLYMNSA-N 491.614 1.451 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 1705525004 WMKDLSWDBGNEDR-HOTGVXAUSA-N 476.607 1.445 30 10 JDEE C#CCN(c1nnc([C@@H](C)CC)n1C[C@H]1CCCN1c1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1705560516 LEXQQXYKCUTQEA-OTWHNJEPSA-N 459.620 1.821 30 10 JDEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705567498 XXBKFKQIMACVLG-MRXNPFEDSA-N 454.556 1.531 30 10 JDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1705667773 SNBOTJJLBZJBLE-QGZVFWFLSA-N 459.576 1.553 30 10 JDEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705733957 YSJKYDLZQVCEHT-HNNXBMFYSA-N 479.368 1.992 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1705819618 PUAVJLPPKJJPAR-RBUKOAKNSA-N 478.623 1.627 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(Cl)ccc2C1 1705896860 AMDSCRHHINTVFP-ZDUSSCGKSA-N 452.968 1.407 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(F)cn2)CC1 1705932162 NRTDSWTWCHIKHZ-UHFFFAOYSA-N 457.535 1.802 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1705932568 GZZZJQWCDQLVRM-MAUKXSAKSA-N 475.571 1.278 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1710897745 HOYOZHOREIFFQO-UHFFFAOYSA-N 483.598 1.980 30 10 JDEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1712696629 HPOHPWAKUXTWIJ-UHFFFAOYSA-N 451.574 1.265 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2CCC(F)(F)CC2)C1 1712706023 GENYJTBAYONLJV-MAUKXSAKSA-N 476.525 1.878 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c(c1)OCCO2 1722294495 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C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCc2ccccc21 1722680898 CRUFBBRHJVLMOL-NFBKMPQASA-N 491.614 1.084 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1c1nncn1C 1722693102 DAPOMMRIYRZSMX-AWEZNQCLSA-N 460.340 1.808 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(Cc2cc(C)no2)CC1 1722693262 IMOYARRJDIZCQN-UHFFFAOYSA-N 489.378 1.957 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3c(F)cccc3OC)CC2)nnc1[C@]1(OCC)CCOC1 1722704155 PEKUVXUENJKSGC-DEOSSOPVSA-N 488.564 1.707 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC(=O)N(CCOC)C1 1740610890 OGAVQFQKXQLGEK-MSOLQXFVSA-N 476.578 1.151 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740625989 QZAOBSLDJMDXSW-RTWAWAEBSA-N 459.591 1.975 30 10 JDEE C=C(Br)Cn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1740749190 QKYSQNPUCFDITO-VPWXQRGCSA-N 470.412 1.996 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSCC1 1740760042 GDNZCYDUAHYTMY-BBWFWOEESA-N 457.622 1.145 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1740794622 FFIGXULVTWKAOS-MOPGFXCFSA-N 467.636 1.462 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1740899071 FLWKZACFOVQKDX-BRWVUGGUSA-N 457.622 1.007 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740953005 SRJWLLSVFOHNPT-MRXNPFEDSA-N 498.975 1.960 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1C1CC1 1741802024 FANYDLQDVZWOFX-BHIYHBOVSA-N 465.624 1.366 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(N(C)C)c1 1741802275 HROUNZYHUMUJMR-QFBILLFUSA-N 461.592 1.464 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1747425112 ADXCDRCJJOKJCY-IBGZPJMESA-N 494.643 1.502 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748816229 XZIAKVYDVOQHDS-GOSISDBHSA-N 490.630 1.751 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CN(C)C1=O 1748945538 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C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1749655049 BPLHSSRCJYPJMC-MRXNPFEDSA-N 475.351 1.649 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cnc(C(C)C)nc1 1749666810 RFUBMADVRFWVMJ-UHFFFAOYSA-N 452.519 1.858 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(NS(=O)(=O)CC)CC1 1749672117 QXZJPUVFTYFXAL-UHFFFAOYSA-N 482.557 1.357 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)NCC)CC2)cc1 1749682885 BZMXDRISLAOQGG-QGZVFWFLSA-N 491.618 1.353 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C(=O)NC)cc1 1749685176 AELJGYXLHKCZKM-WMZOPIPTSA-N 461.588 1.612 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(OC)cc2)C1 1749711596 AYGQEDFHZDIOCH-NHCUHLMSSA-N 491.614 1.644 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1750075347 DHKWJJOZQKTAPD-KBPBESRZSA-N 476.550 1.936 30 10 JDEE C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)Oc1ccc(Cl)cc1 1751132615 HXYATHNWXOPJJR-CPUCHLNUSA-N 468.967 1.738 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CN(C)CC)c1 1760115794 BQANGZVNRINGLK-GHTZIAJQSA-N 474.631 1.569 30 10 JDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760155961 PRWCECJRZSXOMR-UHFFFAOYSA-N 457.604 1.028 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760189235 SSIKOUTZAIEADY-NRSPTQNISA-N 475.590 1.851 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1760192522 VGZREXIQMLXNQN-SIKLNZKXSA-N 488.639 1.736 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@]2(O)CCN(C)C2)CC1 1760255736 OQRVHFWQWXUULR-IBGZPJMESA-N 465.421 1.591 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC[C@@H]2COCCO2)CC1 1760270842 BZJRJNHLWZTHLV-JOCHJYFZSA-N 467.570 1.937 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCOC2)CC1 1760273076 HRQNTFBPJCEOAM-GOSISDBHSA-N 453.543 1.868 30 10 JDEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCNS(C)(=O)=O)CC1 1760398412 XMHBRAHPACCOCK-UHFFFAOYSA-N 465.576 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C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCC(=O)N1 1300666085 SSBUPRGXRACVBI-GOSISDBHSA-N 460.579 1.757 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(O)CC(OCC)C2)CC1 1300709999 OBMDXAVKDVNFLD-UHFFFAOYSA-N 455.559 1.551 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCN2CCOCC2(C)C)CC1 1300710271 YZMOXAHLKCLXSD-UHFFFAOYSA-N 468.602 1.732 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCS(=O)(=O)CC)CC1 1300719179 QLWOLEGHDFVSJN-UHFFFAOYSA-N 463.991 1.999 30 10 JDEE C=C(C)COCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C)C(=O)[C@H]1C 1300997486 WEUAWUYMFNSKMQ-JOCHJYFZSA-N 481.645 1.902 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1301482765 BNXRSRYVOHBEPD-FQEVSTJZSA-N 467.530 1.576 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(C(=O)OC)CC1 1301482808 CHOMHAQKODCUGM-UHFFFAOYSA-N 473.530 1.663 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCCS1(=O)=O 1301808439 CTVIDMQXGLHHQX-QZTJIDSGSA-N 468.624 1.599 30 10 JDEE 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C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359098115 XSMCRJYUYAAHFW-QFBILLFUSA-N 461.592 1.577 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1359125988 BABVRJAJPPDKKI-UHFFFAOYSA-N 459.595 1.833 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 1359208807 UMJOSQKSPFARDF-GOSISDBHSA-N 490.630 1.948 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1359291480 RMJUKYMWSYPUNO-UHFFFAOYSA-N 467.574 1.426 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(N2CCNC2=O)CC1 1359293260 LLLCSBWLPDCMDJ-INIZCTEOSA-N 471.537 1.853 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(CCS(C)(=O)=O)C1CC1 1359296792 UUTBURKNBPJEBY-UHFFFAOYSA-N 461.544 1.032 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2nccs2)C1 1359327114 SKAQSPDULYYRTH-OAHLLOKOSA-N 466.589 1.149 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(O)(C(F)(F)F)CC1 1359331814 IMMMGWYBZDFTQZ-CQSZACIVSA-N 452.499 1.667 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cscn1 1359343581 WLEMORGJKNNBFO-OAHLLOKOSA-N 458.635 1.623 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CC1 1359396607 GKRCJVXKYORMDZ-UHFFFAOYSA-N 467.574 1.244 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1507632564 NJNCGNJAPPWQOI-ARFHVFGLSA-N 476.571 1.242 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1507641205 ZONYDWULOMIVQH-QGZVFWFLSA-N 489.598 1.265 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1n[nH]c(C)n1 1507667764 RGYNMYZNLRRACI-UHFFFAOYSA-N 455.526 1.807 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1507723317 DAHNTLMXLITTFO-IBGZPJMESA-N 450.591 1.705 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1507824180 TVSHJMHLSKZFLQ-SFHVURJKSA-N 460.604 1.664 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507954352 LQBJVWBZOQLUQN-TYPHKJRUSA-N 478.663 1.525 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1508074548 SDPVTEQAYGJFPM-UHFFFAOYSA-N 464.530 1.381 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(F)cc(OC)c2)C1 1508108063 DKKKTMYGZHORRS-WMLDXEAASA-N 453.540 1.866 30 10 JDEE COCC[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1518953843 DPYVIQHAVSWWGI-SANMLTNESA-N 495.628 1.886 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(F)F 1539016791 VOKOGGSTXSTZPC-PBHICJAKSA-N 469.514 1.719 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCN(c2ccccc2OC)C1)[C@H]1CCS(=O)(=O)C1 1539230961 MYJIWXXLDOVQBZ-UXHICEINSA-N 487.626 1.976 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1539231837 YUTTXURDXSVBKH-HNNXBMFYSA-N 465.601 1.057 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCS(=O)(=O)NC)CC1 1539461991 PVALSBMBVIHJKQ-UHFFFAOYSA-N 474.631 1.459 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1539480628 CXTBISZBOLLJFC-KRWDZBQOSA-N 496.559 1.908 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(O)CCOC2)CC1 1539488528 AIGTTWQAGNSIPO-KHCICDEESA-N 459.591 1.314 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1539847215 BMWQTDCEPULITL-PMACEKPBSA-N 482.651 1.124 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CN2CCOCC2)CC1 1540864015 MOTYJBWQLDPLMC-UHFFFAOYSA-N 492.422 1.887 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)NCC)CC1 1540865105 VVKYOCUNLWTVKX-UHFFFAOYSA-N 463.489 1.700 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1540868395 CSXSJRSLNVWBAX-HNNXBMFYSA-N 483.964 1.884 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@@H]1C 1540879357 AUPPEOMXMJAXNB-CVEARBPZSA-N 462.576 1.168 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCCC1(C)C 1541803155 DGRUHGKHLOQGTB-JXXFODFXSA-N 454.597 1.291 30 10 JDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(S(C)(=O)=O)cc2)n1 1543066412 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VLMMUHOZKPLKMY-UHFFFAOYSA-N 468.558 1.331 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1595607901 KYRSJXLIIRZGDY-SCTDSRPQSA-N 478.594 1.750 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1595788767 JCWDRUCHMGCRSQ-QGZVFWFLSA-N 491.595 1.824 30 10 JDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1596095800 FUGBPBGLKDUYSX-UHFFFAOYSA-N 456.572 1.700 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C[C@@H]1C 1619951649 HPVNVRXTLYPXOA-RTHCMUBDSA-N 472.615 1.797 30 10 JDEE C#CC[C@H](NC(=O)[C@@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1)C(=O)OC 1638826342 JVBISHIXSLHANY-PVAVHDDUSA-N 456.358 1.724 30 10 JDEE C#CCN(C(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)C1CCN(C(=O)OC(C)(C)C)CC1 1644788374 RCSYMMNEXYETPW-HNBVOPMISA-N 459.543 1.400 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(OCC)c1 1689852772 KLFDXDQMQMLBQA-OXJNMPFZSA-N 477.587 1.525 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC(=O)NC2CC2)c1 1689872411 YDTIJXQTRCVUAR-GOSISDBHSA-N 498.609 1.295 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689982218 JRWDJBOAXMPQAI-QGZVFWFLSA-N 493.536 1.699 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCc2ccccc2C1 1690019536 LEGPASWKFJXCOB-NFBKMPQASA-N 496.637 1.131 30 10 JDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCC(=O)N1 1690052140 BRKOPZZWTUIWMB-JOCHJYFZSA-N 459.598 1.384 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1690115979 YDHUAYFBNDCNNL-SFHVURJKSA-N 456.978 1.849 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1690133780 TUOGVNWOHUZWBV-UHFFFAOYSA-N 475.615 1.834 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1690228734 DOAIRIGIJYFWIS-BBWFWOEESA-N 488.452 1.636 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](C)C1 1690717697 NSNQYZURERAERS-HNNXBMFYSA-N 466.560 1.797 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1690724007 GCWRWIDOCCINFN-QGZVFWFLSA-N 477.635 1.865 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)c2)CCO1 1696972664 HXYDZUILYNGCOJ-HXUWFJFHSA-N 464.530 1.046 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1705510262 OUJYTDJOWYPBKB-SJORKVTESA-N 460.608 1.614 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1705558938 MJGRBNNUIYBZSQ-QAPCUYQASA-N 474.587 1.549 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1CC)[C@@H]1CCS(=O)(=O)C1 1705560199 IKOMWGVVZRVDHP-QFBILLFUSA-N 479.628 1.126 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1705564923 FRBASXQXGGLHHV-GOSISDBHSA-N 478.640 1.945 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1705569297 BCHHZSSCPYKWCV-GOSISDBHSA-N 456.547 1.725 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1)[C@H]1CCS(=O)(=O)C1 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C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(NC(C)=O)c1)C1CC1 1705854687 MVLRHAJIDWJMMH-HXUWFJFHSA-N 474.587 1.773 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCS(C)(=O)=O 1705896743 WUZMGVVPOBTYPW-UHFFFAOYSA-N 456.366 1.491 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705898557 PKONXUMIBLVQFL-KRWDZBQOSA-N 476.603 1.364 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccccc2Br)C1 1705901422 LCYQHIMCLAJRTB-IRXDYDNUSA-N 489.374 1.872 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1705932493 FIMCIDXQBDMFLV-UHFFFAOYSA-N 482.545 1.673 30 10 JDEE C[C@@H]1OCC[C@]1(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1708275573 GAVJJKBDGGIICK-DLPLYFIVSA-N 462.913 1.843 30 10 JDEE CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CS(C)(=O)=O)c1=O 1710189926 CUGPBTXZLMNTBD-MRXNPFEDSA-N 454.556 1.916 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1722365055 BTUNUERKZZZVRS-JXXFODFXSA-N 450.586 1.378 30 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466.564 1.015 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CC1(C(N)=O)CCOCC1 1722656443 VCXRAFTYDIDWDU-UHFFFAOYSA-N 452.559 1.989 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1722728985 CRMHEBUHTSNSSL-LJQANCHMSA-N 460.604 1.606 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C#N 1722729232 YVEKIBMBNBEIMZ-DLBZAZTESA-N 482.607 1.783 30 10 JDEE Cc1ccc(C(=O)NCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)cc1F 1724247739 DRIXFSYFHPILTM-ZHRRBRCNSA-N 491.593 1.896 30 10 JDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1730995842 BODIJCXEOJLDTA-PKOBYXMFSA-N 492.627 1.112 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cnn(CCOC)c1)[C@H]1CCS(=O)(=O)C1 1740619198 GLXWBTGGHBDLFA-SFHVURJKSA-N 489.989 1.511 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1F)[C@@H]1CCS(=O)(=O)C1 1740628051 VHYBXMKZMAANNK-DLBZAZTESA-N 496.586 1.003 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1740645952 NOBSKYANWPNSHC-RTBURBONSA-N 492.646 1.998 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1740671853 QAVYVUDBLQHUTL-IPJJNNNSSA-N 466.652 1.581 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1740685297 DQSIURHNIFAETB-SXWKCWPCSA-N 496.678 1.208 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1c2ccccc2C[C@@H]1C 1740686004 NRRWQTGSGPXABM-AZUAARDMSA-N 457.600 1.717 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@](C)(O)CCOC)CC1 1740694641 PEYPJKOLXCIFBI-CPJSRVTESA-N 490.649 1.935 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC=C)CC1 1740705685 KVCJSKBOJLLCFI-GOSISDBHSA-N 458.563 1.738 30 10 JDEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1740938656 KHKLYQHNDISZRH-LJQANCHMSA-N 458.943 1.926 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1740961579 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C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1749114327 AEOOVHGNCQWKFJ-CTNGQTDRSA-N 464.574 1.991 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCCOCC)C1 1749131721 VBKNDVHSENLDNQ-FYQPLNBISA-N 468.620 1.793 30 10 JDEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1749231191 HXJPMXRKTSFDIQ-UHFFFAOYSA-N 496.612 1.277 30 10 JDEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1749258379 WFHWSGRRSUQBCJ-UHFFFAOYSA-N 480.356 1.253 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1749426541 FGNJUGHTMHJTAV-CVEARBPZSA-N 480.557 1.650 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCN(C(C)=O)CC1 1749584189 IZBFFVXYNKKMBD-QFIPXVFZSA-N 465.602 1.628 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1749658387 OYCMRMUPUQTUQK-QFBILLFUSA-N 487.008 1.285 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1749729817 SPMQGOBXNLWUFA-UHFFFAOYSA-N 496.593 1.912 30 10 JDEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)CC1 1749969391 GVLKBTVUBJPYQQ-YTTGMZPUSA-N 456.572 1.745 30 10 JDEE CC(C)CN1C[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NC(C)C)CCN2C1=O 1750829475 BIPNTEYQFVOBKE-FQEVSTJZSA-N 464.574 1.924 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCOCC2)CC1 1750997735 DNDKBVUIKDPXPW-UHFFFAOYSA-N 481.601 1.802 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC2CCS(=O)(=O)CC2)c1 1760128690 PPFUDNGEBYRQQP-LJQANCHMSA-N 471.583 1.663 30 10 JDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1760129308 IXICUBDNKILJRU-PZJWPPBQSA-N 478.601 1.718 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1760191270 DPUMFTAWTVGJMZ-VGOFRKELSA-N 462.572 1.653 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1760196925 NGOPRHVWMQYCKL-NHCUHLMSSA-N 498.653 1.768 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN(C(C)C)C(C)C)CC1 1760261467 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C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1760555923 QRRQAIFHBZHDBJ-ROUUACIJSA-N 461.592 1.278 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCCN(CC)C(=O)C1 1760557442 LVXJVVJBMANNCW-UHFFFAOYSA-N 461.588 1.825 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1760560506 XHKGBYSDGUNBFL-OAHLLOKOSA-N 474.653 1.865 30 10 JDEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)c1cc[nH]n1 1761538915 AHYAIPGFKOPIMM-GJZGRUSLSA-N 454.466 1.439 30 10 JDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1762054609 IFWCEIKGUBREFG-SFHVURJKSA-N 499.641 1.431 30 10 JDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1Cc1ncccc1N(C)C 1763038956 HFCAARAIKNYIJU-KRWDZBQOSA-N 460.542 1.905 30 10 JDEE CCN(CC)CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CC1 1764982772 DVPUIRINHAGOAE-QFIPXVFZSA-N 481.601 1.898 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccco1 1768637550 GKGRJBCHMPDONB-LJQANCHMSA-N 456.528 1.760 30 10 JDEE CS(=O)(=O)c1ccc(OCCn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1770309337 FVHYWTPULLMYJH-PKOBYXMFSA-N 461.544 1.731 30 10 JDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2ccco2)C1 1770315950 DOAOXYJWWPVFRB-KRWDZBQOSA-N 454.512 1.463 30 10 JDEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CC(=O)NCC2CC2)cc1 1770735285 GWXIQKQTPMNROS-KRWDZBQOSA-N 475.475 1.848 30 10 JDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C(=O)O)cc1 1862608647 SEXNNPXRSPNYKR-HXUWFJFHSA-N 466.446 1.870 30 10 JDEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865722537 UMQPSRJSZCKVED-SFHVURJKSA-N 488.500 1.300 30 10 JDEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)CN3C(=O)Cc4ccccc4C3=O)sc2c1 1866217529 ODWPQBXBCAVEST-UHFFFAOYSA-N 470.532 1.924 30 10 JDEE N#C[C@H](c1cccs1)N1CCC(C(=O)N[C@@H](CO)C(=O)Nc2ccc3c(c2)OCO3)CC1 1866866140 FDIIQJZYYVUYQL-DLBZAZTESA-N 456.524 1.869 30 10 JDEE NC(=O)CSc1nnc(COc2ccccc2)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874383249 GRYATWNAYZSTQP-LSHDLFTRSA-N 470.467 1.996 30 10 JDEE CN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)CC1 1889426158 LRVAFGYNCKFCGV-HXUWFJFHSA-N 456.562 1.437 30 10 JDEE Cc1nc(S(=O)(=O)N[C@H](C)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2255795450 VLMVFYSNUSKMPS-GFCCVEGCSA-N 458.390 1.219 30 10 JDEE C=C(CN(C)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)B1OC(C)(C)C(C)(C)O1 2256664272 AOJONQFGONWFHY-OAHLLOKOSA-N 458.386 1.667 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2267371760 FKIXJTGNAGDLEL-CABCVRRESA-N 470.401 1.443 30 10 JDEE Cc1nc(S(=O)(=O)NC2(C)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2267468459 VSSGXLCVBREMCF-UHFFFAOYSA-N 470.401 1.315 30 10 JDEE Cc1nc(S(=O)(=O)N(C)C[C@@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2267473939 MSOAQEURUNUKGN-CYBMUJFWSA-N 472.417 1.561 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C=CCN(C(=O)OC(C)(C)C)C1 2267712517 WYDUUKULESWULU-CQSZACIVSA-N 468.385 1.173 30 10 JDEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2267716741 ROYVDUZSIOBMJM-CQSZACIVSA-N 470.401 1.349 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1CCO[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268633378 RTRUNFRZXVJZAU-UKRRQHHQSA-N 467.397 1.988 30 10 JDEE Cc1c(C(=O)Nc2n[nH]c(CNC(=O)OC(C)(C)C)n2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281798763 MCDDLNYXKKUBIB-UHFFFAOYSA-N 461.332 1.423 30 10 JDEE Cn1ncc(C(=O)NC[C@@H]2COCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281828584 MNBOBHGRFSXLKE-HNNXBMFYSA-N 464.372 1.333 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](C)C[C@@H](NC(=O)C(F)(F)F)C1 2281967769 RJHLWMFAPNANEH-CHWSQXEVSA-N 458.290 1.731 30 10 JDEE Cc1c(C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281985595 KWCJHLYNOCGPQW-CYBMUJFWSA-N 458.290 1.558 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 2282339905 YVRCKNISEVHIEN-UHFFFAOYSA-N 484.428 1.645 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCOCC12CN(C(=O)OC(C)(C)C)C2 2282537932 YAZRLYKPEGSKLE-UHFFFAOYSA-N 462.356 1.181 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1CO 2282672712 MBQWJLYVNPOGTC-NVXWUHKLSA-N 461.368 1.729 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2282855834 JXDSVUKHVYAHKJ-CABCVRRESA-N 482.412 1.349 30 10 JDEE Cc1nc(S(=O)(=O)N[C@@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282875992 WWJPBDCKOHMTSZ-HUUCEWRRSA-N 484.428 1.609 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CC23CC3)n1 2361545055 XXUKPDWPAPKSBQ-AWEZNQCLSA-N 461.372 1.491 30 10 JDEE Cn1c(=O)c2c(nc(Sc3n[nH]c(N/N=C/c4ccc(Br)cc4)n3)n2C)n(C)c1=O 21078275 RACCRBMPQLHBCK-UFWORHAWSA-N 490.347 1.449 30 10 JDEE CNC(=O)Cc1csc(NC(=O)Cc2cc(=O)[nH]c(SCc3ccc(C#N)cc3)n2)n1 23243244 HOBSNCWFNPPSFF-UHFFFAOYSA-N 454.537 1.860 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)c(OC)c2)c(=O)n1C[C@H]1CCCO1 409880054 NTPKVVPFHFYTFT-MRXNPFEDSA-N 471.604 1.625 30 10 JDEE C#C[C@@]1(O[C@@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 616591010 SQQXJBRONRGLRT-HPZXMPKVSA-N 472.534 1.529 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)CC1 726157596 NOTOVWXCEFTYLI-UHFFFAOYSA-N 475.594 1.219 30 10 JDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc2c(c1)OCCO2 729668775 CWHPVSFACKGURT-UHFFFAOYSA-N 499.552 1.443 30 10 JDEE COc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnn4ccccc34)c2=O)cc1Cl 729672510 QYODXHWDWDRYSG-UHFFFAOYSA-N 491.960 1.990 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)cc2C1=O 918335049 LFKHJDSPFUQNEE-UHFFFAOYSA-N 453.520 1.633 30 10 JDEE C#CCN(C(=O)CCn1cnc2ccc(Br)cc2c1=O)[C@H]1CCS(=O)(=O)C1 918756651 VXNKTRPIKXHFGA-AWEZNQCLSA-N 452.330 1.198 30 10 JDEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc(OC)c(O)c3)n2N)c(OC)c1 1084450946 GEHKWPZQXQEBPS-UHFFFAOYSA-N 473.515 1.900 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(S(C)(=O)=O)CC1 1286274427 JQYYJRIQCMHPQL-AWEZNQCLSA-N 464.617 1.582 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H]2COCCO2)c1 1286310552 WBLLYFVDTCWVHG-RTBURBONSA-N 452.515 1.091 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(F)(F)Br)[C@H]1CCS(=O)(=O)C1 1286379912 DVEBELLROLOPRQ-NSHDSACASA-N 468.324 1.031 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1286387576 SNBDYMWCSOZIBK-WMZHIEFXSA-N 471.558 1.957 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286390033 VLAUODUGWOKXEM-ICSRJNTNSA-N 459.620 1.570 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CN(CC(C)C)CCO1 1286401056 IJENUKUYWWUFLG-OAQYLSRUSA-N 469.611 1.778 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCS(=O)(=O)N(C)C)CC1 1286473544 PDGPFSVJPQUHHP-UHFFFAOYSA-N 476.672 1.922 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1286489621 ZKSUGZNPZNLCBT-SFHVURJKSA-N 491.017 1.927 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1286495895 HSDSKFUWKYEOAZ-SFHVURJKSA-N 496.703 1.730 30 10 JDEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)NC2CC2)CC1 1286506606 YMTKECLEWQUIFZ-UHFFFAOYSA-N 456.591 1.775 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(CC)noc1C 1286523401 UXRVNGGDJDMWMM-WIYYLYMNSA-N 462.576 1.510 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(C)(=O)=O)CC1 1286668792 UYRISGGHAQHTPR-CQSZACIVSA-N 462.642 1.009 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 1286786020 MRZKRXNJXQEKJS-UYAOXDASSA-N 494.600 1.878 30 10 JDEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCCN(S(C)(=O)=O)CC2)cc1 1286796143 HXAMALMNRKZAGE-UHFFFAOYSA-N 488.614 1.485 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCNS(=O)(=O)CC)C1 1286809917 WIWGPQVFPNVQNC-OAHLLOKOSA-N 473.559 1.315 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCn2c(nc3c2CCCC3)C1 1286814050 IQTITWNEZVRUIM-UHFFFAOYSA-N 461.592 1.113 30 10 JDEE C[C@@H]1COCCN1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1291306770 GIZGZPRPLISTRH-IERDGZPVSA-N 462.551 1.511 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300276476 NJTYOIZCOJZDNA-HOTGVXAUSA-N 477.587 1.710 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1300338990 KEPPUQSTOMPVOU-SFHVURJKSA-N 490.605 1.722 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2csc(C)n2)CC1 1300339012 KOEILGRKZIPCIU-INIZCTEOSA-N 465.649 1.779 30 10 JDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1300381900 KGWNSXIMELGIMM-UHFFFAOYSA-N 458.588 1.651 30 10 JDEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1300391123 GZGSHWWCJAGRPI-UHFFFAOYSA-N 450.543 1.638 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2cccnn2)CC1 1300391591 QIBBLEFTCYAUDM-UHFFFAOYSA-N 480.598 1.725 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300484573 UEOIXFQKZIUSEA-QDSKXPNFSA-N 488.610 1.465 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1300488998 YLVVSDMQBWYTNJ-RBUKOAKNSA-N 456.572 1.225 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)c1ccccc1 1300555038 REUBMKYZTXWWDC-UHFFFAOYSA-N 462.535 1.862 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1300650634 WNAKIJBPFVOTJZ-UHFFFAOYSA-N 483.569 1.983 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(c3cccc(OC)c3)CC2)CC1 1300683126 LOOFSKOXWXEACW-SFHVURJKSA-N 472.615 1.384 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(CC)CC 1300806384 TZFTZUJXLDVQHR-GHTZIAJQSA-N 452.625 1.335 30 10 JDEE C=C(Br)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1300829530 GQEFIIGVZHLERS-LLVKDONJSA-N 499.167 1.091 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H]2CCCO2)CC1 1300830361 FWVSSPXYUWLMPL-LSDHHAIUSA-N 477.429 1.098 30 10 JDEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1300955982 DSHRPRZOTLIVGQ-UHFFFAOYSA-N 450.547 1.220 30 10 JDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1301170464 WREGGZLLJGIGHN-UHFFFAOYSA-N 470.578 1.928 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 1301509177 BKLVWKAIDRUAHE-KRWDZBQOSA-N 481.557 1.857 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CC=CCC1 1301589188 OUQPWSVQLIQYBF-QZTJIDSGSA-N 487.648 1.004 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCc2ccccc21 1301589515 UDPMONYZRDJJKJ-PKOBYXMFSA-N 464.613 1.905 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(N)=O)CC1 1301589855 YUALYTDOHLBSOO-GOSISDBHSA-N 461.544 1.093 30 10 JDEE CNS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N(C)C[C@H](C)C#N 1315071354 DVMHDQLXFXLYES-CYBMUJFWSA-N 471.381 1.765 30 10 JDEE COC(=O)N1CCC(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1315114420 GAIXDVVJPGICGP-GOSISDBHSA-N 488.570 1.556 30 10 JDEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNS(C)(=O)=O)ccc1OC(C)C 1315304433 CXSUWSJACKGKFD-MRXNPFEDSA-N 464.548 1.019 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1358929631 DZLPRNNOGXNWSG-IEBWSBKVSA-N 483.660 1.424 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1358958425 NPZKHNGUECPPHQ-SFHVURJKSA-N 455.540 1.703 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1358958814 WKMRDZPYEXYSAZ-MOPGFXCFSA-N 494.639 1.790 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cc(F)c(F)c1F 1358994481 OILDUSFTRUAEHF-KRWDZBQOSA-N 499.490 1.679 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CC(=O)N(CCOC)C1 1358994778 WHZWKBYWRZDXAW-DENIHFKCSA-N 463.538 1.748 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)c2ccccc2)CC1 1359047597 MVXPDCYYXLADKD-HXUWFJFHSA-N 471.583 1.569 30 10 JDEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1359049069 HLLUERDGIQXKHC-HXUWFJFHSA-N 479.614 1.522 30 10 JDEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC(=O)N1CCOCC1 1359050614 WCHYALKJLMHTJP-UHFFFAOYSA-N 467.393 1.697 30 10 JDEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359080410 QHHXPFCWKISUPK-UHFFFAOYSA-N 486.374 1.899 30 10 JDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1359203473 PNOWXZIVOHFSIA-PMACEKPBSA-N 450.653 1.753 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(CC(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359305481 DSCAFPZLLTUFDH-IBGZPJMESA-N 460.501 1.305 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ccccc3C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359306170 YASMGMICBHXXAO-RUZDIDTESA-N 479.585 1.819 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1359326720 IKKUUVBIZMSDFL-KRWDZBQOSA-N 495.049 1.993 30 10 JDEE C=CCN(C)CCN(CC)C(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1467727514 JRHIEGIPNBSISX-UHFFFAOYSA-N 454.568 1.258 30 10 JDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)C2)nc1 1468538124 GPEMYQFWRANIBM-RTBURBONSA-N 456.524 1.704 30 10 JDEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCS(=O)(=O)NC(C)C 1495721647 CUJGQXXYNYGIMG-MRXNPFEDSA-N 477.639 1.360 30 10 JDEE CC[C@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1496209193 CXTGOXOAMVIURG-KRWDZBQOSA-N 496.620 1.059 30 10 JDEE CC[C@@H](C)NC(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1496277058 HJMOCDITWVJZIF-GOSISDBHSA-N 490.616 1.809 30 10 JDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1503702104 FFXVDVMYUVXMTK-RTBURBONSA-N 465.558 1.748 30 10 JDEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507557846 NXUCNQWVQDUBIT-UHFFFAOYSA-N 466.586 1.738 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1507629818 WRMYDTCYTFZCAS-HTAPYJJXSA-N 494.017 1.300 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCN1CCCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1507635305 RQOAUTZBFLWENE-OAQYLSRUSA-N 484.626 1.683 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507640830 WQKSUXQYRHSRMX-TZIWHRDSSA-N 499.637 1.961 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CCC(C)(C)O)CC1 1507741706 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CN(C)S(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1517028680 FKVWOEUYOKNRBH-NRFANRHFSA-N 481.582 1.605 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2C[C@]2(O)CCN(C)C2)c1 1539045672 HLXQUKOFCVPRLE-DEOSSOPVSA-N 479.610 1.757 30 10 JDEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539097513 PJNBDPWWWMKIBW-UHFFFAOYSA-N 452.559 1.348 30 10 JDEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1539423353 YIAROKAVASGUSW-UHFFFAOYSA-N 476.599 1.500 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCCN2CCCO)CC1 1539475284 ANJMVPGFYBBSLE-NRFANRHFSA-N 451.575 1.153 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1539477118 IMOFGOOPSLPENK-NHCUHLMSSA-N 481.576 1.637 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1539477554 QPTUHGHLAKZUJK-QGZVFWFLSA-N 482.589 1.956 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCn2cccn2)CC1 1539484297 KHRZGMHACUNYOS-UHFFFAOYSA-N 452.588 1.886 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccc(C)c1 1539539035 OAWZANTVLQUCES-HTAPYJJXSA-N 458.588 1.619 30 10 JDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539578908 FECHUYJEPKYPQB-UONOGXRCSA-N 466.402 1.381 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1539688448 ASVJJWQOXKYKQO-PGRDOPGGSA-N 486.642 1.914 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1539918036 ZRFPAOOMZUHVPU-MSOLQXFVSA-N 495.650 1.254 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(NC(C)C)CC1 1540869206 FOTVASVCVNCOJH-UHFFFAOYSA-N 450.547 1.863 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@@H](c2ccccc2)C1 1540897238 DVZCCKINEKSMCD-PKOBYXMFSA-N 497.643 1.457 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1540898557 NOPDGNXMELLJCZ-AWEZNQCLSA-N 469.514 1.814 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1587620500 GJRHGMOLTHGGIW-DLBZAZTESA-N 483.598 1.414 30 10 JDEE C#CCCCn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1587894345 SJCPSXOSRNEPJM-HOKHCIIBSA-N 472.634 1.721 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1588059421 NWVHBWVMRHWAFA-OAHLLOKOSA-N 486.566 1.209 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1588074646 PJYSHZWQOROVJH-OALUTQOASA-N 450.536 1.968 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCCO)c(OC)c1 1589134331 IDNFWXVASHDRJM-XMMPIXPASA-N 453.543 1.934 30 10 JDEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1594202446 PXNRUFXXUKVTOG-QHCPKHFHSA-N 492.598 1.923 30 10 JDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](N1CCOCC1)C(F)(F)F)C1CC1 1595054213 DKBNBWUQEBINEV-HOCLYGCPSA-N 463.526 1.598 30 10 JDEE C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 1616927186 JBPOVAADPIOAPJ-GOSISDBHSA-N 459.399 1.742 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1689930310 PDKMXTLZAITJGZ-KRWDZBQOSA-N 495.602 1.244 30 10 JDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(Br)c1 1689946362 PUQRRLMFGZUEFB-ZDUSSCGKSA-N 470.393 1.972 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CN(CC)CC)cc1 1689966099 KYQCJARFNKMTOE-OAQYLSRUSA-N 474.631 1.571 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1689984134 LSFORGKUBWIYBJ-UYAOXDASSA-N 476.624 1.569 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCC(=O)N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1689991701 BHKPHSQTMFCCIH-NRFANRHFSA-N 484.626 1.683 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1689996050 DDBZEAZGKHJNDO-KRWDZBQOSA-N 471.539 1.837 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1689997076 VKDBTCLBRVRNKB-QGZVFWFLSA-N 477.537 1.548 30 10 JDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccnc(OC2CCOCC2)c1 1690053134 YJDCEXQVDIDYQX-UHFFFAOYSA-N 462.554 1.865 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CC1(O)CCS(=O)(=O)CC1 1690098800 VTVJZRCORPWPCP-UHFFFAOYSA-N 469.567 1.519 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@](=O)C(C)(C)C 1690101167 QRPQRTBFQTUOHF-XIFFEERXSA-N 470.599 1.825 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2nccs2)CC1 1690114639 BLOYYMJCCYNCEO-UHFFFAOYSA-N 471.612 1.455 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1690133284 AEFWOGAYMPCFGF-NRFANRHFSA-N 473.599 1.588 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCC(=O)N2)CC1 1690139359 JSSYJGVYYWDIEM-GOSISDBHSA-N 466.542 1.207 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCN2CCCO)CC1 1690148484 ISGMTLJXQNOYGC-QFIPXVFZSA-N 465.602 1.077 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cc(Br)ccc2C1 1690669828 PYZDTCNBEZUUGX-INIZCTEOSA-N 459.348 1.857 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)NC(=O)OC(C)(C)C)C1 1690685694 BJYFDOIPUQTNOY-OAGGEKHMSA-N 472.612 1.583 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690715475 MFMZBJQBDKRACT-WBVHZDCISA-N 486.591 1.781 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCC[C@H](C(=O)OC)C1 1690729878 UVEHBEXKQDINHB-INIZCTEOSA-N 466.535 1.986 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCNS(=O)(=O)CC)c1 1705506046 YVWXYHIDHUGNJG-UHFFFAOYSA-N 467.555 1.336 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1705562903 MJEMMSQBZSRDKS-HNNXBMFYSA-N 460.951 1.280 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(O)CCSC2)CC1 1705646372 XVOWYGSLZIXJTP-DEOSSOPVSA-N 485.610 1.796 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1705736862 FEFMZSGIHWMJNT-ZWKOTPCHSA-N 467.636 1.904 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1705819726 SNTGMCMKEZEPAH-FQEVSTJZSA-N 492.650 1.023 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1705891001 UNOCTVFGCRITLA-FPOVZHCZSA-N 474.631 1.898 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(=O)OC)C1 1705912253 DZJULSPBIGISAF-RDJZCZTQSA-N 463.560 1.501 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(C)C)C(=O)C1 1705931556 SUDHUJBKPUSZNL-UHFFFAOYSA-N 476.559 1.759 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1705938028 LCXRHIPIVRBXHZ-MRXNPFEDSA-N 480.616 1.344 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C2CCOCC2)C1 1705938307 VBINORKSJKFMCK-FQEVSTJZSA-N 462.620 1.993 30 10 JDEE CNC(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1711403771 GJBZGRQXKDJHGE-QGZVFWFLSA-N 475.557 1.390 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1722332422 KSSIFRSLRDBHFC-ZACQAIPSSA-N 451.593 1.943 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOCC)CCCC1 1722351579 JVNWQRMBMQGPDH-GOSISDBHSA-N 453.609 1.667 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722357974 BRPGDMJJGMHSCC-FHWLQOOXSA-N 464.636 1.163 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1722358939 GZEIIMNBOAAHBR-IBGZPJMESA-N 490.611 1.529 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCC(=O)N1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1722359769 AVYWZEQTSYYYNU-GOSISDBHSA-N 471.587 1.155 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCCCN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1722360453 HXTRGVHRZJUDGI-NRFANRHFSA-N 487.674 1.328 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1722360778 BYRRGDJCFANCJE-RTBURBONSA-N 490.582 1.395 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1c(CC)nn(C)c1OC)[C@H]1CCS(=O)(=O)C1 1722362572 NQAYISYHADBCPB-KRWDZBQOSA-N 498.609 1.933 30 10 JDEE C#CCN(c1nnc(C2CC2)n1CCNc1nccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1722365656 DWJXZDYRPIDCGS-CQSZACIVSA-N 469.493 1.703 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722367273 VHPAJJWDUHHZND-KRWDZBQOSA-N 499.684 1.474 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C(CC)CC)N1CCOCC1 1722397562 RUBKXSPVJFAWDE-FGZHOGPDSA-N 475.659 1.780 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(N3CCO[C@@H](C)C3)nc2)CC1 1722430061 VVMWFCHZZQEZIC-FQEVSTJZSA-N 494.644 1.620 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCC(=O)N[C@@H](C)CC)CC1 1722449591 VWBZKRHHROPHGD-INIZCTEOSA-N 471.631 1.904 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(C1)OCc1ccccc12 1722453110 ZFBRKNIEQVFXAN-HRAATJIYSA-N 461.613 1.891 30 10 JDEE C#CCSCCn1c(N2CCS(=O)(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722464481 HHWUXJYEDFKQBV-IYBDPMFKSA-N 469.633 1.650 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccc(C(=O)NC)c2)CC1 1722574195 HKAMDBARRDIOIM-INIZCTEOSA-N 460.604 1.893 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)S[C@@H](C)C1 1722693589 UFJVNPCCOZCSFV-HOTGVXAUSA-N 478.644 1.828 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2[C@H]1C 1722724015 KRUNSRDUCBXMID-JKSUJKDBSA-N 467.617 1.613 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOC(C)(C)C2)CC1 1722795318 GYXXJDWWJVGGJL-UHFFFAOYSA-N 494.644 1.528 30 10 JDEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCN(C(C)=O)C2)cc(OC)c1OC 1729971896 AEIXNWQMBWCORK-MJGOQNOKSA-N 484.557 1.958 30 10 JDEE COc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1CCN1CCN(C(C)=O)CC1 1730314917 BDJQINFLDWMXPE-SFHVURJKSA-N 455.563 1.626 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(S(=O)(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1740616070 RMZWRMNCSWMLPK-KRWDZBQOSA-N 479.628 1.159 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccc(OCC(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1740620088 UGCFJOXSBBVHBW-SFHVURJKSA-N 483.550 1.386 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1740620302 DGVUGZRUVMHSJS-QGZVFWFLSA-N 455.540 1.965 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=C)C)[C@@H]1CCS(=O)(=O)C1 1740623676 ZCZBYRAZKXTGTO-MRXNPFEDSA-N 452.540 1.395 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCCCN2CCCC2)CC1 1740704912 WCJGEDIBFIUYAA-UHFFFAOYSA-N 452.607 1.911 30 10 JDEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)COC)CC1 1740720381 WPXIYRJVVJELKZ-UHFFFAOYSA-N 452.584 1.943 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCO[C@H]1C 1740726868 RCPUYGBZWDQSSL-JJEOQYAHSA-N 473.599 1.727 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1740868474 LLBIJXJVKYGLAY-SIFCLUCFSA-N 454.597 1.958 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](COC)C1 1740959328 RYUSGLAMMJEJHB-QGZVFWFLSA-N 481.557 1.390 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@](C)(C(=O)NC)C1 1740989040 YJBHAJWIUZUBCQ-JOCHJYFZSA-N 477.587 1.526 30 10 JDEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1741242140 GVPATAYODJRRKN-KRWDZBQOSA-N 458.544 1.671 30 10 JDEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1748330111 GQTJQXJQMNDVPW-QHCPKHFHSA-N 454.531 1.185 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1748801816 HHTIRVPEHLKJSA-GOSISDBHSA-N 474.587 1.275 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1748821679 SKVIPTMHYPGNCC-HXUWFJFHSA-N 486.573 1.962 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CCCn1cc(CO)nn1 1748833303 OGYLDCNSYOUIJF-UHFFFAOYSA-N 454.332 1.955 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccc(C)cc1 1748864493 YBHJFJNTNSWFFE-SFHVURJKSA-N 456.572 1.090 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCCCC1 1748960231 DZKUJPSKIYRPEV-UHFFFAOYSA-N 450.543 1.973 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1748972503 KXIGLKXBXMDNKG-APWZRJJASA-N 495.600 1.225 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@]2(O)CCSC2)CC1 1748999775 FTLNCJWLICQYLQ-QHCPKHFHSA-N 457.600 1.879 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(CO)c2)CC1 1749000881 CJCANCGARKVRGS-UHFFFAOYSA-N 473.537 1.432 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1749014972 QLXOCGFUBGQHKW-QFIPXVFZSA-N 499.637 1.753 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(C(N)=O)nc2)CC1 1749015825 OSAGZTPVUMTCIV-UHFFFAOYSA-N 487.564 1.408 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749216471 NYBPUAWPEGLNFM-KRWDZBQOSA-N 468.601 1.565 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN2c2cc(NC)ncn2)CC1 1749286338 IJKOCFVRJGXMLX-IAGOWNOFSA-N 475.623 1.545 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1749427150 LYNSUKPWAQRRRQ-INIZCTEOSA-N 459.638 1.445 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1749676344 NDMRSSTWHWWEBP-UHFFFAOYSA-N 462.514 1.801 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1749677668 HGGIKXIOLZAUNP-FQEVSTJZSA-N 492.584 1.613 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1C[C@@H]2OCO[C@@H]2C1 1749729337 HBNHVECWRBTEMS-IYBDPMFKSA-N 469.361 1.870 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1749729478 LBHLEMOXNILWGS-OAHLLOKOSA-N 456.565 1.698 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1749736686 NCWPCSVBTUHPOA-UHFFFAOYSA-N 480.594 1.827 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1749740523 FZCUNAJSEDFEQK-LJQANCHMSA-N 475.663 1.566 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC2CC2)CC1 1749756155 TYMMOVHIPQQZSF-GOSISDBHSA-N 470.665 1.062 30 10 JDEE Cc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)N(C)C)c2ccccc2n1 1751410219 BAQZITRLIMSFGO-MRXNPFEDSA-N 455.544 1.422 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccco1)N(CC)CC 1760176111 ZBVGSQKTWMJCQG-PKOBYXMFSA-N 464.592 1.357 30 10 JDEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1760189345 HZBBHAIHQVIRGW-OALUTQOASA-N 471.583 1.638 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760189434 UMCGUGSJIFOEAW-HSALFYBXSA-N 488.589 1.298 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1760190417 QMDXYLGPJUFMSB-SFHVURJKSA-N 472.596 1.542 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCOCC1 1760242060 RMJUQNUJVRKOHO-FQEVSTJZSA-N 475.590 1.681 30 10 JDEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCNC(=O)CC1 1760274058 HJDOCQVCNVOXFC-UHFFFAOYSA-N 461.617 1.239 30 10 JDEE C#CCSCCn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1760286271 GLYKZHBCTWLVCR-UGKGYDQZSA-N 497.687 1.689 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC2CCOCC2)CC1 1760402875 XNBHXVMWBSVGJF-FQEVSTJZSA-N 483.635 1.599 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1760520935 DWIWICWDGKJVBK-OAGGEKHMSA-N 461.567 1.271 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1760524865 LRXRJUUHIXTWCK-UHFFFAOYSA-N 450.522 1.735 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(F)(F)C2(OC)CCOCC2)C1 1760541791 HQNPTGYBCOWYAB-CVEARBPZSA-N 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C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1740623043 NGNXLAQVROEWNW-GOSISDBHSA-N 452.540 1.727 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1740626965 XERQNEQWJWMASF-XMSQKQJNSA-N 455.540 1.391 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1CCN(CC(F)(F)F)CC1 1740631693 UBPCLMASDIZIAO-INIZCTEOSA-N 474.553 1.626 30 10 JDEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(C)=O)CC1)c1ccccc1 1740801731 BOJXPCXQWZJXCG-NRFANRHFSA-N 488.614 1.429 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCOC1 1740941257 GNQSGKBKRDWIIB-HTAPYJJXSA-N 467.567 1.377 30 10 JDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1740942725 CUFOTVWXNVFHEC-OAHLLOKOSA-N 472.575 1.045 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1740986246 UKELQZBMVGBVIK-CVEARBPZSA-N 484.623 1.367 30 10 JDEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1748758160 UHHZJNIUSGFDHB-UHFFFAOYSA-N 464.614 1.848 30 10 JDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccccc1S(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1748806058 ZCAJDMZJQQISCF-HKUYNNGSSA-N 493.655 1.717 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CC1(O)CCN(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1748808201 BEVOQQRXQIQATE-NRFANRHFSA-N 471.627 1.807 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748823924 FPQLUVGZBDWZST-HXUWFJFHSA-N 487.626 1.873 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCN1S(C)(=O)=O 1748882254 MKYUOVIJCDZFTC-LJQANCHMSA-N 456.528 1.740 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCN(C)C(C)C)CC1 1749006281 LVXXQRLGNUJAFH-UHFFFAOYSA-N 476.589 1.227 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(C(C)=O)CC1 1749531662 KYQPHZGUCINYEX-JOCHJYFZSA-N 476.585 1.458 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1749663490 HHZXWWDJFPDVMD-UHFFFAOYSA-N 470.484 1.221 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCCc2ccccc2)C1 1749690010 PYDGDFPASYXWSI-FQEVSTJZSA-N 452.559 1.654 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[C@H]2COCCO2)C1 1749695906 LSPSILQJFYMZQV-UXHICEINSA-N 491.614 1.782 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(OCC)c2)C1 1749712370 IPMCAZNDPGKXQN-NHCUHLMSSA-N 491.614 1.839 30 10 JDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749745843 JKZVKBPCBLRRJA-SFHVURJKSA-N 479.628 1.609 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN(C(C)=O)C2)c1 1760127174 SMOUZCCLSRUVEV-OAQYLSRUSA-N 491.596 1.829 30 10 JDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1760155751 IBLGQNDDUBCACZ-UHFFFAOYSA-N 463.586 1.618 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1760183451 BJKSNEJHZYGWBA-OAHLLOKOSA-N 458.569 1.789 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1760186554 OPZDJJFOONUJQM-ZWKOTPCHSA-N 488.701 1.586 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@@H]1C(=C)C 1760294551 ACXUNYAPZDOBTE-VQQMMKBISA-N 463.604 1.584 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC2(CCOCC2)C1 1760300469 FQMCWMOVRDFENJ-ZDUSSCGKSA-N 480.454 1.899 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1760343014 UQZVGMRHBGXDBZ-UHFFFAOYSA-N 498.613 1.897 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCn2nc(C)cc2C)CC1 1760389818 VBKSOORARCJCPA-LJQANCHMSA-N 463.608 1.671 30 10 JDEE C=CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)C1)c1ccccc1 1760417468 CWWRSDLOTFBLNW-WOJBJXKFSA-N 488.614 1.249 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1760520139 ZIQQYZPGDMHLJT-SFHVURJKSA-N 497.600 1.847 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1760554930 RCOMEYGVOXMDKL-IBGZPJMESA-N 492.623 1.780 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CCCCC1)N(C)C 1761362521 CVDHWFLUMMXBKV-HOJAQTOUSA-N 481.667 1.860 30 10 JDEE CCC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)OC 1763855819 BNUBTXSRKBYTPA-QFIPXVFZSA-N 481.601 1.613 30 10 JDEE CN(CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1)CC(F)(F)F 1767370018 CLFIWUBNDKUJKZ-OAHLLOKOSA-N 451.453 1.534 30 10 JDEE CO[C@@H]1COCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1769119636 DXHXDXWDHWEMEB-PCCBWWKXSA-N 468.558 1.917 30 10 JDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2csc(COC)n2)CC1 1769357003 BOARKRJMKXDSOG-UHFFFAOYSA-N 482.570 1.841 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 1858335968 QNFYTKOLQCNHMJ-LJQANCHMSA-N 488.591 1.536 30 10 JDEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O 1861507331 GBNYHZXRJFIRJH-VQIMIIECSA-N 477.473 1.089 30 10 JDEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCN2CCOCC2)=C(N)Oc2c1c(C)nn2C 1864317081 TYMGGGRYUYUOQZ-OAQYLSRUSA-N 467.570 1.826 30 10 JDEE C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(=O)Nc1cccc(C#N)c1 1866592216 AFOCLUKCTZONRG-MRXNPFEDSA-N 455.540 1.251 30 10 JDEE C=CCN=c1nc(Nc2ccc(C(=O)NCCN(CC)CC)cc2)[nH]c(N2CCN(CC)CC2)n1 1871705237 VORMOFNLTNNJAH-UHFFFAOYSA-N 481.649 1.849 30 10 JDEE C=CCn1c(C(=O)NCCN(CC)CC)cc2c(N3CCN(c4ncccn4)CC3)ncnc21 1873593915 WYIAUBCPCOJNNG-UHFFFAOYSA-N 463.590 1.806 30 10 JDEE C=CCn1c(C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc2c(N(CCO)CCO)ncnc21 1873646914 SXIGTOCAUOBWBM-UHFFFAOYSA-N 471.514 1.686 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cccn(Cc4ccccn4)c3=O)CC2)CC1 1890343060 QFDRTILLVTYZQM-UHFFFAOYSA-N 477.609 1.554 30 10 JDEE CC(C)(C)OC(=O)NC[C@H](O)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255753455 PZHAXTHZMBJVQH-HNNXBMFYSA-N 456.370 1.150 30 10 JDEE CO[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256669661 SNRYCNJCLSQLNO-IUODEOHRSA-N 455.386 1.987 30 10 JDEE COc1ccc(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267011938 MVNITXGSUNSZAZ-HNNXBMFYSA-N 450.341 1.610 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C 2267373994 LDENPECPIIRZSH-AWEZNQCLSA-N 470.401 1.397 30 10 JDEE Cn1ncc(C(=O)N[C@@]2(CF)CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267514148 VEBICPXYWRCAMN-OAQYLSRUSA-N 452.336 1.798 30 10 JDEE COC(=O)[C@@H](CCNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267549922 RUWORPWGMMWPQX-CYBMUJFWSA-N 469.369 1.629 30 10 JDEE C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267715027 QURZJAFSZJTZPC-QGZVFWFLSA-N 460.409 1.614 30 10 JDEE CC(C)(C)OC(=O)N1CCNC(=O)CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CC1 2280786770 VVAGFVVNFVMWNE-UHFFFAOYSA-N 460.384 1.944 30 10 JDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN3C(=O)[C@@H](NC(=O)OC(C)(C)C)C[C@H]3C2)C1 2281225198 HAAOUZXWKZPMCL-BNCDEOIASA-N 476.574 1.630 30 10 JDEE Cc1c(C(=O)N[C@@]2(CO)CCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281804190 IGSVFONLLWKEQP-QFIPXVFZSA-N 464.372 1.129 30 10 JDEE Cc1c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)nn(C)c1B1OC(C)(C)C(C)(C)O1 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JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 2282681912 ZOTKRWQULFLGAJ-KBUPBQIOSA-N 461.372 1.536 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2282863143 NOXZJSRMEYMELD-CABCVRRESA-N 484.428 1.834 30 10 JDEE O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2cccc(O)c2)C1=C(O)c1ccc2c(c1)OCCO2 2296145077 PXFICWDYVTYNPI-QFIPXVFZSA-N 466.490 1.917 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1CNc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2339431226 KJJNTDZWBIZGJF-PMPSAXMXSA-N 469.775 1.787 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2359273589 JCNYGVNITCFMJW-ZNMIVQPWSA-N 482.412 1.253 30 10 JDEE CCc1nn(C)c(C(=O)N[C@H](CCO)COCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2369537183 ZCQHITGNEITBRI-GOSISDBHSA-N 457.380 1.979 30 10 JDEE C=CCNC(=O)/C(C#N)=c1\s/c(=C/c2ccc(Br)cc2)c(=O)n1CCCOC 12618460 IMQNLLIXDVWKMP-ZOUWJBNWSA-N 462.369 1.514 30 10 JDEE CC(=O)OC[C@@H]1O[C@H](O[C@@H](C#N)c2ccccc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 256112680 QTSUMWNLKZZILY-BPIQYHPVSA-N 463.439 1.351 30 10 JDEE CCOCCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2cnn3ccccc23)c1=O 729669362 MNIQSGMOQMCEQB-UHFFFAOYSA-N 460.519 1.131 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(Br)c(S(N)(=O)=O)c2)c1 918700791 CSXJFWWXGVXTDK-UHFFFAOYSA-N 450.314 1.789 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 1286390066 WAQZKIKANALPPF-RYUDHWBXSA-N 488.517 1.380 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286394232 OBPWDLQFKDZGKA-SLFFLAALSA-N 465.664 1.993 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCN(c2ccccc2)CC1 1286430446 NNFXIGQOPMASBI-QHCPKHFHSA-N 459.598 1.904 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1C[C@]1(O)CCS(=O)(=O)C1 1286458202 MOAROSHNZWORPS-JOCHJYFZSA-N 489.598 1.962 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCc3cccnc32)CC1 1286486050 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COC(=O)N1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 1299422332 FSNSYRZDJZGBPT-LJQANCHMSA-N 472.571 1.918 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300631107 LHMYGMMTONHPTC-ROUUACIJSA-N 496.634 1.328 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(CC)CC)nc2)CC1 1300700773 WAIGNWSJTAOELV-FQEVSTJZSA-N 471.631 1.225 30 10 JDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)COC)CC1 1300766888 NILNSRSCRWITKV-UHFFFAOYSA-N 453.572 1.178 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)COC)CC1 1300892787 VNXDATYIFAIKCQ-DYESRHJHSA-N 460.604 1.910 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1cc(OC)cc(OC)c1 1300952541 XOIAVFVEPLYIHX-GOSISDBHSA-N 451.549 1.972 30 10 JDEE C=CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1301164499 AFEQQUVEHWEAJH-PMACEKPBSA-N 493.655 1.622 30 10 JDEE C=CCN(Cc1cccs1)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)NC 1301363422 RHYIKOCYLBMROE-UHFFFAOYSA-N 499.622 1.995 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nc(C)cs2)CC1 1301478529 MFPUPRFYGJUXDB-UHFFFAOYSA-N 460.608 1.590 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1301479092 SODRHIBYORYSJO-RBBKRZOGSA-N 495.628 1.996 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccccc1 1301501015 SKMNGSGLWMFNMV-AEFFLSMTSA-N 462.576 1.111 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1301575788 KNYIWUWVKCYWLB-FQEVSTJZSA-N 467.555 1.519 30 10 JDEE Cc1cccc(OCc2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCS(C)(=O)=O)c1 1304511371 AMVLAGKUVDOWCK-UHFFFAOYSA-N 481.582 1.803 30 10 JDEE CC[C@@H](C)NC(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1305635952 HSLUTCAGFDYFRO-IQMFZBJNSA-N 466.521 1.939 30 10 JDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1313491125 CUKVIYPLYFMCFD-INIZCTEOSA-N 463.464 1.848 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CCn2cncn2)cc1 1316533837 FYLSSZRBKYULHV-INIZCTEOSA-N 489.462 1.525 30 10 JDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1358903798 KFZGJKPRPKGSIS-UHFFFAOYSA-N 452.607 1.990 30 10 JDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1358910757 ZUTQZTFZOXYKOD-UHFFFAOYSA-N 464.574 1.479 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358964347 XPWUTMGDVJKCHY-ZCNNSNEGSA-N 451.637 1.603 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@](C)(O)CCC)CC1 1359035851 GKNYXXVKTMKGLY-YADARESESA-N 476.622 1.893 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1359083880 SVSHPYOBFFQEJT-YJYMSZOUSA-N 467.368 1.895 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(C)c1C 1359099881 UOYFUZOLXPPCIB-HOJAQTOUSA-N 493.634 1.271 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2CCOC[C@@H]2C1)C(C)C 1359265807 METOGZZZTKOMJX-PCCBWWKXSA-N 457.623 1.449 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC(=O)NC(C)C)cc1 1359307994 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C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccnc2OC2CCCC2)CC1 1507721393 JNGVDAYMSXMGIJ-GOSISDBHSA-N 487.630 1.408 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1507738961 JKZZZAZFUSRNNS-HXUWFJFHSA-N 482.560 1.625 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1507740811 FTWSPTYCPFOZLO-UHFFFAOYSA-N 454.604 1.614 30 10 JDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507956786 GORRCVNRJZUDQW-OALUTQOASA-N 460.579 1.239 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1508072906 HVQCTKMZIHUWIT-RKVPGOIHSA-N 458.494 1.794 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1508140465 NYWSEHGHENHGLY-CYBMUJFWSA-N 475.497 1.219 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)CCO1 1508374177 FOZIIAUGTPCOSU-HXUWFJFHSA-N 451.531 1.217 30 10 JDEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1513240843 FHPJEWDCCCEPSA-AQNXPRMDSA-N 458.588 1.973 30 10 JDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ncn(C)n2)cc1Br 1518164801 ALYCPRGGIZCIOM-CYBMUJFWSA-N 459.308 1.622 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N(C)C 1519163715 CVOHHHAFXYLQNS-QGZVFWFLSA-N 463.583 1.847 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1539219495 DADJPTIXQXDRGW-NHCUHLMSSA-N 485.610 1.401 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)CN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1539223150 ZGGPSVMOPXIAHW-VSKRKVRLSA-N 492.690 1.072 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1539226294 XBQKECXNEMYXKF-LJQANCHMSA-N 485.610 1.550 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(F)cc2C)CC1 1539451986 HQOVUOLWEDVIFB-NRFANRHFSA-N 490.605 1.056 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@]2(N(C)C)CCSC2)CC1 1539475980 PHBZJDHLXDWZNZ-HSZRJFAPSA-N 453.616 1.743 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCNC(=O)OC(C)(C)C)CC1 1539476076 RTVKGDFHKWOOJT-UHFFFAOYSA-N 455.563 1.774 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2OC)CC1 1539512295 BLCJUACMBQIAEN-IBGZPJMESA-N 454.600 1.926 30 10 JDEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)NC2CC2)CC1 1539519426 HNEULSBKJAGNCW-UHFFFAOYSA-N 474.581 1.914 30 10 JDEE C#CCSCCn1c(N2CC[C@H](CN3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539531558 XDKJGPAXERDAFO-NFBKMPQASA-N 463.648 1.844 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1540865046 TWFCEGALSORGEA-AWEZNQCLSA-N 496.490 1.769 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1540867881 KUGYVUAJBQGNTH-AWEZNQCLSA-N 452.968 1.419 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccccc2)CC1 1540871413 LGDAMKCJHQQMJV-FQEVSTJZSA-N 472.615 1.195 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1540874323 BXQBTQXDHVEJGB-QHCPKHFHSA-N 473.599 1.791 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](NC(=O)OCC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540875896 AXHLXHMEPQBQAG-HTAPYJJXSA-N 464.567 1.336 30 10 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C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1539231237 PZRHBWNXFSVFJW-NJDAHSKKSA-N 499.637 1.971 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCS(=O)(=O)C1 1539391343 CIMHJOPRIXUKAZ-SFHVURJKSA-N 459.547 1.614 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(SC)c1 1539557500 VQEJXDASHVZCQV-LAUBAEHRSA-N 476.628 1.768 30 10 JDEE C=C(C)Cn1c(COCC)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1539717533 FMVDKFDMARQFBI-BZUAXINKSA-N 455.581 1.517 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCC[C@H](C)C1 1540072073 JEZYCOOKCXJEGP-ROUUACIJSA-N 454.641 1.744 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)nn1C 1540147485 RNZVSXFXVMVLHO-IBGZPJMESA-N 491.643 1.955 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(N(C)C(C)=O)CC1 1540869227 FZAVRQSSPLAJLT-UHFFFAOYSA-N 492.584 1.424 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1540873315 URDRHEUBVMJZMX-AEFFLSMTSA-N 455.563 1.916 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1540874819 SQIUAFWMNHFOQT-GBXCKJPGSA-N 494.648 1.695 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCSC2)C1 1540904212 LHSUQVHQFAXBQN-CRAIPNDOSA-N 460.647 1.114 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1540905906 WZKBQNGDFNOQAC-SJORKVTESA-N 469.608 1.828 30 10 JDEE CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1548317924 CJJPGJGQOPQTHQ-FQEVSTJZSA-N 458.588 1.411 30 10 JDEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)C(=O)OC(C)(C)C 1554288979 DLLLNQAKGNKANU-UHFFFAOYSA-N 460.560 1.918 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(S(N)(=O)=O)c(C)c2)cc1 1562197551 NZUYNZPHVOAODX-UHFFFAOYSA-N 452.558 1.771 30 10 JDEE N#Cc1ncn(-c2ccccc2NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)n1 1584319996 ALFIKKMLPMZGBH-UHFFFAOYSA-N 456.459 1.551 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(OC)c(OC)c(OC)c1 1587641130 XUTLJARENLOLPQ-BEFAXECRSA-N 493.586 1.143 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)c1ccccn1)[C@H]1CCS(=O)(=O)C1 1588034267 CFVTUPXJHCWBQL-YADARESESA-N 487.626 1.930 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1COC)[C@H]1CCS(=O)(=O)C1 1588055497 WOFLAXJMFVAVNH-OALUTQOASA-N 457.556 1.051 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCn1cccn1 1588099231 KKPHCMVRWPBJBY-UHFFFAOYSA-N 451.556 1.555 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([S@@](C)=O)CC1 1588595237 QKRMXWRSCPWZRF-GDLZYMKVSA-N 450.586 1.346 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1588750943 HHZNWBRVKKNXAV-XMMPIXPASA-N 476.622 1.942 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCS(=O)(=O)N(C)C)CC1 1588947742 VLWGDUMKSIAXFI-UHFFFAOYSA-N 472.615 1.035 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(CC)nn(C)c1CC)C1CC1 1595058321 IFWQZDOBTLKAMZ-HXUWFJFHSA-N 477.635 1.672 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC(C)C 1595133663 KIALGZOHHWQJPB-IBGZPJMESA-N 494.593 1.467 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1595529702 DWDRNOAASUIPEG-UHFFFAOYSA-N 484.923 1.792 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCCC2)CC1 1595824163 XOSDOMOLBPXDCF-UHFFFAOYSA-N 450.609 1.066 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)s1 1632507808 WYHCXWVSHGKOQE-HUUCEWRRSA-N 459.590 1.241 30 10 JDEE C=C1CN(C(=O)C2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)C1 1632670093 RTLHDNRFNSIGEW-UHFFFAOYSA-N 450.517 1.231 30 10 JDEE C#CCN(C(=O)NCc1nnc2n1CCNC2=O)[C@@H]1CCOc2ccc(Br)cc21 1638032537 COQPCKYFGWEZNU-CQSZACIVSA-N 459.304 1.453 30 10 JDEE COC(=O)[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@H]1c1ccc(Cl)cc1 1641696758 DVYMVXVKBNVAKC-RBUKOAKNSA-N 461.927 1.905 30 10 JDEE C=CCN1CC[C@@H](N(C)CC(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)C1=O 1645435141 STPPQVHLFFLDQL-QGZVFWFLSA-N 451.365 1.873 30 10 JDEE C=CCC[C@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1649100371 GKTLLLDMIVHBAL-KRWDZBQOSA-N 455.602 1.692 30 10 JDEE C#CCC[C@H](O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1654513157 INRNCCMYUWTQSW-NSHDSACASA-N 450.298 1.046 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCn2cncn2)c1 1689873462 JUKMZZAJHACIEM-UHFFFAOYSA-N 458.530 1.488 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1689982950 XSKPBYXHAHESPH-CQSZACIVSA-N 456.366 1.699 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)OC 1690091154 KNVZSARJWOLRRV-LPHOPBHVSA-N 465.551 1.425 30 10 JDEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC(=O)N2CCOCC2)CC1 1690133474 IMVXHNAWNBDLFS-UHFFFAOYSA-N 475.018 1.838 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1690309661 GKYKMUPSZMBUGI-MOPGFXCFSA-N 480.635 1.653 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1690527945 UZBCPFZBUMSIKK-FPOVZHCZSA-N 491.614 1.758 30 10 JDEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690632546 BVEZAQGXSNUQES-UHFFFAOYSA-N 459.348 1.821 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(C)=O)CC1 1690720049 YSNSHXICXWUTFQ-UHFFFAOYSA-N 463.560 1.232 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1690729810 SHLJNIPHFLOWKJ-HXUWFJFHSA-N 467.979 1.813 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(CC)CC)CC1 1705535068 ZPUMVNLWUFYWMT-IBGZPJMESA-N 452.625 1.335 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705561193 QUNCAVOEZJTHMQ-JKSUJKDBSA-N 459.638 1.197 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1705562301 ZZWQSVQHKKYXJP-VQTJNVASSA-N 453.572 1.738 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1705568830 VULMHBZWUZEFHW-SFHVURJKSA-N 473.534 1.305 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1705571506 ZVWZCXKHXDTOCS-HXUWFJFHSA-N 482.610 1.903 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCN(C(C)=O)CC1 1705580483 KBBZKRNDEKCLTL-UHFFFAOYSA-N 457.538 1.523 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1F 1705598358 HVHOHVLKGCTWDP-FQEVSTJZSA-N 459.547 1.570 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCC)c(OC)c2)CC1 1705632327 ZYXGZGBYOLIJJI-UHFFFAOYSA-N 452.559 1.725 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCS1 1705674370 HKVNYIZZQIKXMZ-SQGPQFPESA-N 453.634 1.889 30 10 JDEE C=C(C)COCCn1c(C(C)C)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1705729850 AQYMKJZOAMDTAZ-UHFFFAOYSA-N 456.595 1.947 30 10 JDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCNS(=O)(=O)c1ccc(C)s1 1705833301 ASFUFBSSZKNXAK-UHFFFAOYSA-N 461.573 1.896 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705906406 CVAPHOIYHAFOBF-QFIPXVFZSA-N 481.645 1.992 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1705907219 DUXRCYDKVUOPNC-UHFFFAOYSA-N 473.585 1.636 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)C2CCCC2)C1 1705925442 PKRFFJMMOUQRDP-UXHICEINSA-N 482.651 1.267 30 10 JDEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705944382 DQBYMQOEVVQUPY-UHFFFAOYSA-N 458.563 1.931 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1706747536 AGORCSOLPKPJIL-HOTGVXAUSA-N 469.571 1.898 30 10 JDEE CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C[C@@H]1C 1710218557 GNKSLCZCSLBXGK-RBUKOAKNSA-N 481.601 1.930 30 10 JDEE COc1ccccc1SCc1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)NC(C)C 1712020433 HJSXZVVTKSBSEA-MRXNPFEDSA-N 480.616 1.636 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1722308631 OSOAWSINOYOEHY-SJORKVTESA-N 484.623 1.422 30 10 JDEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722319308 YHMWVGJMPNHOOL-UHFFFAOYSA-N 466.586 1.876 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1722362645 NZDCBSDMQLDPDF-LJQANCHMSA-N 450.528 1.125 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1722432118 SVETYQNLSATYJN-ROUUACIJSA-N 476.603 1.120 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[S@@](=O)C(C)(C)C)CC1 1722434691 XWMPNFRUKPWVML-WJOKGBTCSA-N 477.656 1.651 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CCOCC2)CC1 1722443437 IUWBNXPLKBXBRM-UHFFFAOYSA-N 485.610 1.741 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722509789 QYDJGTUKWJJQFD-XLIONFOSSA-N 457.583 1.183 30 10 JDEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1722523347 PBNDAEASDRRRPB-GOSISDBHSA-N 474.635 1.794 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722656789 IYLVHPPYPGVJIK-UXHICEINSA-N 483.598 1.575 30 10 JDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722682195 UKJQZPKCJXWWHU-UHFFFAOYSA-N 457.966 1.448 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOC)[C@@H](C)C1 1722694971 NRWRVIOSYYHHFE-KRWDZBQOSA-N 456.547 1.175 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1722698547 HMVYPPSYSORKNC-OAHLLOKOSA-N 457.547 1.888 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1722701081 FOOZKFQTXGBBAH-PMACEKPBSA-N 499.685 1.859 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCNS(C)(=O)=O)C1 1722714740 PBLCTUIINIZLEQ-MSOLQXFVSA-N 498.650 1.723 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1722728202 RYHQDRAFUKKBDE-LJQANCHMSA-N 460.604 1.408 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1722728515 WHJDLYBQTNRVHG-UHFFFAOYSA-N 452.544 1.467 30 10 JDEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722733334 WEUFKQWHHZQTDO-UHFFFAOYSA-N 471.587 1.752 30 10 JDEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)c2ccccc2)C1 1731178045 DCAAHBQKCRWNJM-OAQYLSRUSA-N 469.502 1.841 30 10 JDEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1740586940 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QVSCYDBNIYUQSD-GOSISDBHSA-N 478.644 1.808 30 10 JDEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)cn1 1555568617 AJEMPGKLUXFRKK-IBGZPJMESA-N 455.544 1.331 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1587766189 QCYIXCFOZNPZAR-SFTDATJTSA-N 484.626 1.332 30 10 JDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccnc1OCCOC 1587974822 BNUKVAXZNVLKPQ-UHFFFAOYSA-N 459.510 1.730 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1588058923 FNUBECUMBSUTPN-JGVYIQDASA-N 470.567 1.542 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1588070167 XCMGFWHGFLAFLG-NFBKMPQASA-N 458.584 1.496 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1csc([C@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1588074258 LLDWXRZBCGROHY-HOCLYGCPSA-N 453.590 1.654 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1588078856 OFJGHKJXHFPOER-LNVKXUELSA-N 471.521 1.746 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC)c(Br)c2)CC1 1588806170 INAAOYXNLOSWTR-KRWDZBQOSA-N 473.375 1.804 30 10 JDEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CC(=O)NCC)CC1 1589715959 YHWGRHPUCKJBGH-UHFFFAOYSA-N 474.635 1.381 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1594013805 LBIUFCCOYFLOGX-DOTOQJQBSA-N 464.567 1.528 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1594194678 XOXMUJHXMURKFR-INIZCTEOSA-N 481.644 1.884 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1594813340 QYOYKUBRRGCGST-GOSISDBHSA-N 479.628 1.797 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1595477069 QHNQORFGIOMFRD-GBESFXJTSA-N 481.667 1.281 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(=O)OCC)CC1 1595490013 KYRSXJHZNZOBOK-UHFFFAOYSA-N 464.530 1.916 30 10 JDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1595569715 NMALPUSQKWVMHM-UHFFFAOYSA-N 457.623 1.448 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1595721999 IIUXDFFTXMDAEU-FQEVSTJZSA-N 452.559 1.980 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](c2ccnn2C)C1 1595753311 GVTCSCDHBDTTBV-KRWDZBQOSA-N 461.592 1.232 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1595776755 DZEFZJLEUGTWDA-HXUWFJFHSA-N 468.576 1.700 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1595812013 KPIQKFYZNMDSKU-NHCUHLMSSA-N 474.631 1.412 30 10 JDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(Cc2nncn2C)CC1 1645999769 FECMMXIPZWBVBN-GOSISDBHSA-N 458.588 1.894 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)CC1 1665660696 QRPXOHWANCWXRY-UHFFFAOYSA-N 455.512 1.629 30 10 JDEE C#CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCS(=O)(=O)N1CCSCC1 1689967510 HEYRTQGNEAHNOG-UHFFFAOYSA-N 454.021 1.970 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1689982986 YKCLKNJMMJVQLL-PXNSSMCTSA-N 456.634 1.699 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)c2cccc(C)c2)CC1 1690110486 OAMWYGOAAXWXGH-UHFFFAOYSA-N 472.553 1.419 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(OCC(N)=O)c2)CC1 1690150775 VCQRTNUTCYYZOL-UHFFFAOYSA-N 492.605 1.809 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1690236878 SHKLTALQDUBKKL-OTWHNJEPSA-N 465.620 1.899 30 10 JDEE C=CC1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCNS(=O)(=O)CC)CC1 1690410535 OHTRBKBAPGOCOU-UHFFFAOYSA-N 495.675 1.970 30 10 JDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1690490196 RUGGJFQLVIKHJW-UHFFFAOYSA-N 456.595 1.087 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1690658834 BARRNIIANNWJQU-UUOWRZLLSA-N 468.558 1.834 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2F)CC1 1690723876 CIQQQJAGWZXJTL-KRWDZBQOSA-N 464.567 1.634 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1690729235 JPDYZGLIEZQNFY-HXUWFJFHSA-N 490.561 1.908 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1690729355 MUYITCBFTTZLEQ-RTWAWAEBSA-N 491.662 1.288 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCc1ccc(O)cc1 1692533645 BRLICUWUIUZUOH-KRWDZBQOSA-N 475.557 1.741 30 10 JDEE CCNC(=O)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cc1 1695929006 CFLOBFSFIZYUDG-IBGZPJMESA-N 456.572 1.718 30 10 JDEE C#CCCCn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705539024 HMSLLLLCCXOBAJ-OAQYLSRUSA-N 453.609 1.592 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)C(=O)NCC 1705595117 GPZIHFMBHMZLQX-UHFFFAOYSA-N 469.615 1.863 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CCC[C@@H]1NC(=O)NC1=O 1705622553 LNDPABJQUJIFLJ-INIZCTEOSA-N 493.337 1.921 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 1705628349 DNTOXEGKANXITM-QGZVFWFLSA-N 460.556 1.822 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3c[nH]c4ccccc34)n2CC(=O)N(C)C)n1 1705631367 BTAUACBRCJQZJZ-UHFFFAOYSA-N 460.542 1.997 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@H]2CCCCS2(=O)=O)n1 1705631642 LDFNYNNBIOVOCO-OAQYLSRUSA-N 483.598 1.790 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1705641989 BTPPFRNJTFCODW-FQEVSTJZSA-N 457.600 1.664 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCCc2cnn(C)n2)CC1 1705650990 FWCOJFNAECWOES-UHFFFAOYSA-N 476.585 1.893 30 10 JDEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705653553 KEWQNYJQXFCGFK-RDJZCZTQSA-N 472.546 1.071 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1705658222 ITJAVICTIQBOBQ-OAQYLSRUSA-N 472.663 1.276 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnc(C)s1 1705700886 ZTQGLQILGFNZIZ-NEWSRXKRSA-N 496.659 1.994 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1705902592 HUOWCKLTFYOKSF-OAHLLOKOSA-N 460.485 1.325 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1705905225 ODECVRWCBAEVRG-SFHVURJKSA-N 487.568 1.556 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1705907404 LRJQWKWKJLVKDJ-UHFFFAOYSA-N 476.585 1.935 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)c3cc(C)oc3C)CC2)nnc1[C@]1(OCC)CCOC1 1705909316 SXBYMNQJWQISCB-DEOSSOPVSA-N 486.573 1.405 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1705932256 ABTXTRSGRUTOAE-IAGOWNOFSA-N 450.561 1.795 30 10 JDEE CNS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1711425663 BISOMTXOWPGHJN-AWEZNQCLSA-N 456.981 1.502 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(CCc2ccccc2)C1 1722276183 HQSWKFPSJHHHTB-IRFCIJBXSA-N 458.632 1.911 30 10 JDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1722306091 GTLQCCNJRXWYDM-LJQANCHMSA-N 457.623 1.789 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1722347021 XUYOXVLLMLFFQV-WMZHIEFXSA-N 473.599 1.993 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCC(=O)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722365234 MBYSKGBRFVFIEE-OAQYLSRUSA-N 478.578 1.919 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(C(=O)NCC)c1)[C@H]1CCS(=O)(=O)C1 1722369415 YXNDWNYTZKUWQG-SFTDATJTSA-N 485.610 1.944 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nc3cc(OC)ccc3n2C)CC1 1722430097 WVAYXUHMXUCADP-UHFFFAOYSA-N 450.547 1.115 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1722438748 AJIYTWLTKVXHGP-HSZRJFAPSA-N 481.620 1.706 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCc2ccc(OC)cc2)CC1 1722448605 WBIJBFULLBYSRC-OAQYLSRUSA-N 480.569 1.420 30 10 JDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCOC)CC1 1722484014 JPYRYMVYWHMSMI-OAHLLOKOSA-N 469.384 1.507 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1722692592 SFLIWNVHWRPVTQ-UHFFFAOYSA-N 459.501 1.421 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)NCC)CC1 1722702434 NRSFPAJJBHJUKA-UHFFFAOYSA-N 455.563 1.628 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1722728403 VQBRERBQGXLLIP-QGZVFWFLSA-N 495.552 1.596 30 10 JDEE CN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCSCC2)CC1)S(C)(=O)=O 1729389058 ARAOYMRFXFJQQU-UHFFFAOYSA-N 489.671 1.726 30 10 JDEE COc1ccncc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1730339821 GVIZZONAPLRGKD-OAHLLOKOSA-N 455.544 1.848 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2C)CC1=O 1730798888 HGVADVVGUCBUFX-AZUAARDMSA-N 468.558 1.696 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCCC(=O)N(C)C)c1 1740565335 RYLWYOLTHAAVMW-UHFFFAOYSA-N 465.558 1.325 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1740589973 DQYXOLWRSUOBRX-WOJBJXKFSA-N 495.552 1.881 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCc2ccccc21 1740608534 BWSUZXCODSETGH-YLJYHZDGSA-N 458.588 1.132 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cnn(-c2ccccc2)c1 1740610925 OWJDABWYEHJQAI-FQEVSTJZSA-N 469.571 1.109 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1740615433 DPUGJSRLTOGTEV-JKSUJKDBSA-N 492.652 1.401 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC2(CCCCC2)O1 1740671293 CXPVRQJPHPLSEJ-RBUKOAKNSA-N 465.620 1.952 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)Cc2ccccc2C1 1740685175 BTOZHKOOIGAGPH-OAQYLSRUSA-N 487.626 1.502 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCn2cc(Br)cn2)CC1 1740696035 KRTXGRDUJGAGSB-QGZVFWFLSA-N 462.396 1.977 30 10 JDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1740834045 HHTDWIWZLBJSLD-FQEVSTJZSA-N 457.623 1.859 30 10 JDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740869991 GJXHJYQKQVXTID-GOSISDBHSA-N 462.576 1.113 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCCOC2)C1 1740888141 PUYKDRQXXZCFOQ-GHTZIAJQSA-N 469.608 1.211 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)C 1740923808 WGPKHLATYHESBX-AEFFLSMTSA-N 468.649 1.815 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(O)(C(F)(F)F)CC1 1740961774 IGSZDBTXGVRKTL-UHFFFAOYSA-N 463.464 1.712 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1740964843 VZJCBAHSFSJAOY-DEOSSOPVSA-N 471.558 1.942 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCCS2(=O)=O)C1 1740986380 ZEDDQMMDJUMXIJ-IBGZPJMESA-N 465.551 1.813 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)(C)C 1747706649 HHSSDYBDQKZVPM-SFHVURJKSA-N 458.588 1.993 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCCn2cc(CO)nn2)c1 1748693135 YQFMKZYTDVGPFJ-OAQYLSRUSA-N 478.557 1.750 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(CC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748802090 KWTDLCAEAKLYMZ-GOSISDBHSA-N 486.598 1.759 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCN(C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1748815092 NGNZAFZBVXGCER-WOJBJXKFSA-N 488.589 1.127 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](COC)OC)CC1 1748989125 FXDSSILHCCUSDC-RBUKOAKNSA-N 478.594 1.003 30 10 JDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749095721 AICMNWXJUWHXCA-UHFFFAOYSA-N 458.386 1.447 30 10 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465.558 1.448 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1760155153 RIGUXQOPFBKUMF-HNNXBMFYSA-N 463.589 1.300 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1760188929 RIQKXKHAIBZTKS-XGHQBKJUSA-N 451.593 1.043 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccnc(C(C)(C)C)n1 1760206221 UHZWKHILNCOMTL-HXUWFJFHSA-N 499.641 1.404 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(OC)CCOC2)CC1 1760258646 ASMNIWFIBRAIFL-VWLOTQADSA-N 488.633 1.953 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2Cc2nncn2C)CC1 1760273460 VQQMOUFGLGWFBF-UHFFFAOYSA-N 480.598 1.722 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(N2CCOCC2)CCSC1 1760336781 IVWJSMSRONBWAR-RXVVDRJESA-N 469.677 1.791 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCOC1=O 1760690607 DRQRQIVAEBUARL-OAHLLOKOSA-N 450.503 1.630 30 10 JDEE CC[C@@H](C)c1nnc(N(CCOC)Cc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1763548614 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457.600 1.919 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCS(=O)(=O)c2ccccc2)CC1 1722445990 IIIBLFQLNGWADT-UHFFFAOYSA-N 493.593 1.565 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1722492756 UNDHQXSIYCIXOF-VHPHOLNESA-N 469.608 1.254 30 10 JDEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722522856 HSUHNTVSBRDFJJ-UHFFFAOYSA-N 450.547 1.817 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@](C)(C(N)=O)C1 1722699810 YYIFMKLWQIVQHI-HSZRJFAPSA-N 475.594 1.397 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cccs1 1722699816 ZCVMSLDQDIZZBK-HZPDHXFCSA-N 480.616 1.316 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1722726645 HKZIHSKAURPGLS-UHFFFAOYSA-N 473.665 1.787 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1722726822 FTMFFGGRPCFPAE-LJQANCHMSA-N 460.535 1.996 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722727201 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1.590 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1508072123 HRJOMGQQKBCZEH-NRFANRHFSA-N 465.558 1.975 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)C2CCCCC2)C1 1508127664 WCLOWAZOAPBYFW-NHCUHLMSSA-N 496.678 1.657 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCOCC1 1508141390 VMGSDGZESPJOFZ-UHFFFAOYSA-N 472.571 1.502 30 10 JDEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)CN2CCOCC2)CC1 1508335618 GXRFVMAIQKXEDY-SFHVURJKSA-N 451.575 1.890 30 10 JDEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1)N1CCOCC1 1508862535 DSWQPPBCECBZQL-RTWAWAEBSA-N 451.575 1.875 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCOCC2)C1 1516022159 DJVYEIDXFZYPDE-XLIONFOSSA-N 473.603 1.055 30 10 JDEE COc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)ccc1OCCO 1518003000 GLWIZBROWVEXGE-IIBYNOLFSA-N 479.534 1.050 30 10 JDEE COC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1)OC 1518719537 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JDEE C=CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1594760222 FQPZTHZHUVWVEZ-UHFFFAOYSA-N 451.535 1.467 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1595466783 NCFCDBMDHCIWSQ-PONJGIIJSA-N 455.519 1.000 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1595501298 OWFDUYYNSBOHLV-UHFFFAOYSA-N 462.558 1.935 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1595577222 LUEXKEKASWDAMS-MRXNPFEDSA-N 453.952 1.436 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1595603082 XGSZBSOVPRTFNN-VWLOTQADSA-N 497.600 1.046 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(F)c2F)C1 1595730191 ULSKIFIMSQOHJB-IEBWSBKVSA-N 497.568 1.913 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1595797408 FVWXNDFTOMZTNN-WOJBJXKFSA-N 478.619 1.839 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(S(=O)(=O)CC)CC1 1595799414 ZXBWRAIGDHSWCL-KRWDZBQOSA-N 460.622 1.524 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@](O)(c3ccccc3F)C2)nnc1[C@]1(OCC)CCOC1 1595830357 AMLSVVDJNSBNIX-GOTSBHOMSA-N 494.589 1.768 30 10 JDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCC1 1618778898 GXPHBEKCQDWANA-UHFFFAOYSA-N 460.560 1.268 30 10 JDEE CNS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1618846992 FQERGFLVTBSPQO-UHFFFAOYSA-N 480.598 1.854 30 10 JDEE C#CC1(F)CN(C(=O)[C@@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)[C@H](C)CC)C1 1644615688 HIIAVPFTCLCXSF-DYVFJYSZSA-N 457.955 1.919 30 10 JDEE C#CCCS(=O)(=O)N1CCC[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1665189167 HBNSYQDOSKDHLV-KRWDZBQOSA-N 451.593 1.999 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)c1ccco1 1689836084 YAJSSGVODXAMEV-MRXNPFEDSA-N 470.555 1.676 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CCCCC1 1689853229 QGFNAEUXTXGDGS-YRISNDGFSA-N 453.609 1.400 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1689860580 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C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)OC)C1 1690668611 BRNBSENGXGEVOO-MRXNPFEDSA-N 479.541 1.367 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(OCC(=O)N(C)C)c2)C1 1690694575 RFIFODYPWKXZQA-NRFANRHFSA-N 465.558 1.975 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1690713969 APXPPQUWJZEFHO-UHFFFAOYSA-N 494.021 1.490 30 10 JDEE C[C@@H]1C[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CCO1 1693578222 CVVLNMMACKQVQO-ZHALLVOQSA-N 488.618 1.297 30 10 JDEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H](C)CC#N)n1C[C@]1(O)CCS(=O)(=O)C1 1697275768 CXDWYGDKFZCJQH-ORAYPTAESA-N 453.952 1.895 30 10 JDEE COCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1697721856 AVBRSPRJJMBEGJ-INIZCTEOSA-N 493.609 1.898 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705559162 SRGITBWVBGACHY-RTWAWAEBSA-N 490.674 1.653 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1CCCCN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1705565479 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CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282316283 ABSSYYQIMMLUCK-CQSZACIVSA-N 485.416 1.134 30 10 JDEE CC(C)(C)OC(=O)NCCN(CCO)S(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2282498705 IAVSJZPKPZVVQC-UHFFFAOYSA-N 488.387 1.633 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CO[C@@H](C1)[C@H](NC(=O)OC(C)(C)C)C2 2282515397 QVVDBHDUEABTRF-ZCCHDVMBSA-N 462.356 1.274 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@@H](CN(C(=O)OC(C)(C)C)C3)C2)n1 2282615695 RCMMXNMAFNXVEL-HUUCEWRRSA-N 461.372 1.443 30 10 JDEE C[C@@H]1CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@@H]1NC(=O)C(F)(F)F 2282616035 VXYRCQBUHRMHOR-IJLUTSLNSA-N 459.278 1.032 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282676616 MZTRMRRMUJTYFS-RPLXOIEJSA-N 480.396 1.929 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)OC(C)(C)C 2284119235 OSOSHWACPUWOGJ-COXVUDFISA-N 482.408 1.313 30 10 JDEE C[C@H](OCc1ccccc1)[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)O 2284410659 VPOTUKPCHPAGBC-WMLDXEAASA-N 479.364 1.056 30 10 JDEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2285182445 JWXGROCJJGBDSC-UHFFFAOYSA-N 464.343 1.971 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 2285213663 XVFZLSASUYTQPQ-DLBZAZTESA-N 461.368 1.789 30 10 JDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2343634999 BYCDBNMXFMILLW-LSDHHAIUSA-N 452.336 1.749 30 10 JDEE CC(C)(C)OC(=O)N1CCN2CCOC[C@@]2(CNC(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2359679227 GNWRRMHXWOGAFN-SEPYTNNBSA-N 465.400 1.907 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2360584076 MBPQBVVETCKZLH-QGZVFWFLSA-N 482.408 1.540 30 10 JDEE COc1ccc(OC[C@H](O)Cn2c(N/N=C/c3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)cc1 33634215 NQQHOVNJYNOQKB-UPVZUOOXSA-N 464.482 1.318 30 10 JDEE CCCn1c(N2CCOCC2)c(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 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PPQVEOMQERYGEO-OAQYLSRUSA-N 454.548 1.817 30 10 JDEE CC(C)NC(=O)CN1CCN(C(=O)CSc2n[nH]c(NN=Cc3ccc(F)cc3)n2)CC1 1084165098 QESMDHLBWIVSKJ-UHFFFAOYSA-N 462.555 1.151 30 10 JDEE Cn1c(=O)c2c(nc(Sc3n[nH]c(NN=Cc4cccc5ccccc45)n3)n2C)n(C)c1=O 1084328533 NXYMRBCYQYKBPC-UHFFFAOYSA-N 461.511 1.839 30 10 JDEE COc1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1S(=O)(=O)N(C)C 1156591289 CUTIMOXTRJIWLT-GOSISDBHSA-N 456.524 1.348 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC2(S(C)(=O)=O)CCC2)c1 1286310531 DIBKHQBEPMBNLC-SFHVURJKSA-N 471.583 1.806 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C(CC)CC)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286380345 HTWIQDHCFFYTBI-WOJBJXKFSA-N 478.663 1.507 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CC(C)(C)N1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1286386430 ZSMHLLMCNTUXLL-GOSISDBHSA-N 451.637 1.918 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1286395299 ZKVPLILIXXDIRM-PXNSSMCTSA-N 452.602 1.345 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1286396930 YXSOAZPZBFXZOS-TYPHKJRUSA-N 476.574 1.686 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccn(Cc2ccccc2)n1 1286431804 RXLWIRIKKATETQ-NRFANRHFSA-N 462.579 1.936 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nc3c(s2)C[C@@H](C)CC3)CC1 1286471523 LIPVMFPSVNSFIB-JKSUJKDBSA-N 477.660 1.273 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=O)Nc2ccc(F)cc2)CC1 1286473776 WZCCDBHIQNAPEA-XMMPIXPASA-N 470.549 1.852 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(=O)NCC=C)CC1 1286487303 MJOICQVIUQEISV-UHFFFAOYSA-N 470.961 1.875 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(OC)cc2OC)CC1 1286490292 JNXHWZFYBOUNFI-HXUWFJFHSA-N 480.569 1.455 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(C2CC2)C1 1286758207 GNVNKXCINWEECO-MJGOQNOKSA-N 450.609 1.274 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H]1COCCO1 1286768274 WVBCSRSDEODEMZ-KRWDZBQOSA-N 454.531 1.636 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1286780859 JVAXQCFBOIPPNN-MRXNPFEDSA-N 473.965 1.256 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1286784331 DZZWBFKHCZXBBG-UHFFFAOYSA-N 459.558 1.796 30 10 JDEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O)N1CCCC1 1287155884 FUTXGNJFGAVCCM-FQEVSTJZSA-N 459.620 1.923 30 10 JDEE CCc1ccccc1OCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(=O)N(C)C 1292614644 HQMVJBOATFDHQO-SFHVURJKSA-N 489.584 1.884 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)N1CCSCC1 1298283298 BMGPFCAKADOGEB-IBGZPJMESA-N 476.628 1.669 30 10 JDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1300357012 GXKZEGVORCNVOK-WOJBJXKFSA-N 455.607 1.556 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cc(F)c(F)c1F 1300465047 JZWMRXZJPYRUMJ-AWEZNQCLSA-N 461.441 1.285 30 10 JDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1300478852 DGUKFLINRXKIQJ-GOSISDBHSA-N 479.990 1.525 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1300483328 KQZMUSSOFRQPKW-VGOFRKELSA-N 462.572 1.750 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Br)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1300488323 CRXRRRDPUYYYMK-OAHLLOKOSA-N 494.415 1.861 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1300503201 BFTRQPLRELDUHW-QZTJIDSGSA-N 460.556 1.529 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1300504307 LOHQJYXFLBOYQB-QRGRWYIGSA-N 492.573 1.553 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1300649719 OZLHMWBMNCWQDT-MBSDFSHPSA-N 454.531 1.740 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1300682627 PRJYBZGOACRNQC-UHFFFAOYSA-N 486.642 1.598 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCOC[C@H]2OC)CC1 1300718641 CKDFBQOOKPWHQQ-DENIHFKCSA-N 467.570 1.971 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1300876381 SMGRZPCRBFLDLI-QYZOEREBSA-N 482.651 1.505 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1300991073 PBPBLRPHIUNBCL-IBGZPJMESA-N 488.614 1.198 30 10 JDEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1301056720 IDHYKRAOZGNNMG-UHFFFAOYSA-N 474.993 1.899 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1301507090 WGETWEHNFQXKGB-UHFFFAOYSA-N 465.583 1.980 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCn2c(nnc2-c2ccccc2)C1 1301568091 NSPOEIHLAMYITN-UHFFFAOYSA-N 484.586 1.296 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2ccc(OC)cc2C1 1301568702 WVXPUGYHESBGLK-UHFFFAOYSA-N 459.572 1.686 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](OCC)C1 1301585795 OEFGGYYPMFJOBQ-OAHLLOKOSA-N 451.549 1.612 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1303469643 HMIGZQLEEIDBNX-UHFFFAOYSA-N 485.614 1.736 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 1312618044 WVPRUVWCUPIROG-QFBILLFUSA-N 450.561 1.675 30 10 JDEE C#CCC[C@@H](O)CNC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1312638364 WRJPYAUNENJBGQ-JKSUJKDBSA-N 458.378 1.676 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1314557474 GOEMCDPLNTWRDP-IIBYNOLFSA-N 460.560 1.140 30 10 JDEE CN(C)C(=O)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1314633400 AECPLJDBWXJEFF-GOSISDBHSA-N 468.537 1.435 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)OC 1359016675 JPKKPUZCQZSDTP-LJQANCHMSA-N 479.578 1.815 30 10 JDEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(S(C)(=O)=O)CC1 1359079103 YOQHOZYWWRPNHU-UHFFFAOYSA-N 471.337 1.844 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1359099822 TXYZIHLDORTJBI-OTWHNJEPSA-N 453.609 1.529 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CC1 1359263531 DMZFXLFOSHYCJO-MRXNPFEDSA-N 453.590 1.390 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1359291882 DGURNBAZJDCAKY-AWEZNQCLSA-N 498.556 1.517 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2sccc2[C@@H]1CC 1359291893 DOVUKKQCSGFHFN-ZFWWWQNUSA-N 452.606 1.766 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1359299218 YVUOUNCAIYREQG-JKSUJKDBSA-N 461.567 1.225 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1359331257 SHRXNJUPMLHURL-UHFFFAOYSA-N 486.598 1.333 30 10 JDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCc2nn(C)c(=O)cc2C1 1359345844 SDZNWJLKOPMJIC-UHFFFAOYSA-N 471.612 1.845 30 10 JDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 1449335394 JYYTUMLUITUYFC-WDEREUQCSA-N 451.895 1.961 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)cc1 1465826581 ZTMNLEQBGBJVOW-LJQANCHMSA-N 457.552 1.620 30 10 JDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CC1 1468714766 FUIKGDWJALXAFJ-LBPRGKRZSA-N 452.393 1.801 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CCCC2)n1CC(=O)NCC(F)(F)F 1494135823 ICTYICVSMRWHIP-AWEZNQCLSA-N 477.495 1.991 30 10 JDEE CCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)CCOCC1 1497801965 BKPZPCDESOZGRV-IAGOWNOFSA-N 454.597 1.556 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1507632923 QUVJDFOMHZAGGR-HZPDHXFCSA-N 484.550 1.133 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507639850 MNTYKYOEWIYZAH-HXUWFJFHSA-N 469.567 1.782 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CC1 1507653140 LULOGOVPULDFHY-HXUWFJFHSA-N 453.568 1.416 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN2CCOCC2)c1 1507711270 SFWWGVINAUBCFU-JOCHJYFZSA-N 487.626 1.147 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1507733762 LHEBZSVPEJQQGK-PZJWPPBQSA-N 479.585 1.952 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1508093851 KUDFZBSVQHSWAJ-NRFANRHFSA-N 482.585 1.549 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(C)c2C1 1508132192 VTWXIBNFVWEFQF-OAHLLOKOSA-N 485.607 1.499 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1508144830 HXAFHVAAWWWHAJ-UHFFFAOYSA-N 466.652 1.212 30 10 JDEE COCCN(C)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1519113249 CVMZARSTRSSGMM-QFIPXVFZSA-N 454.510 1.212 30 10 JDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539176384 MUTYKGVGPMCMGM-QGZVFWFLSA-N 480.635 1.744 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1539201213 YPYPWMGJEXKQOR-INIZCTEOSA-N 496.515 1.603 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1539204699 CAIYCQPIGZBXHE-GOSISDBHSA-N 494.639 1.648 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1539219720 MFENBUOBUFHQCS-GOSISDBHSA-N 485.031 1.584 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OC)cc1F)[C@@H]1CCS(=O)(=O)C1 1539219777 FGEZCJWKKDMLLE-QZTJIDSGSA-N 462.547 1.995 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1539229480 DVJLYGALJPAQDM-WMZHIEFXSA-N 455.584 1.168 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCc2cnn(C)n2)CC1 1539434136 AFFZWVQSZCUTRI-UHFFFAOYSA-N 458.368 1.552 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nc(C(F)(F)F)cs2)CC1 1539446651 HUCJLRLZVVZTDU-ZDUSSCGKSA-N 474.534 1.459 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1539706220 CDMHOAMHSINUGH-SFHVURJKSA-N 478.550 1.179 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1540863125 PQIGDXMZFYRVIX-DLBZAZTESA-N 456.547 1.786 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1540905546 SUBNMHUXLGGKNC-MAUKXSAKSA-N 482.584 1.015 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1540905909 XCFDCNRWCCUFCT-UHFFFAOYSA-N 460.604 1.825 30 10 JDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1)N1CCOCC1 1541864662 ABAMEQUVRIHMQE-SFHVURJKSA-N 450.547 1.819 30 10 JDEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1552890586 IEURITVNBZKNJF-HXUWFJFHSA-N 487.630 1.685 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1588069875 ULMMBCYHCGDXRE-GOSISDBHSA-N 469.571 1.277 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1588074448 MSYSMGJQFLCBIR-ZCNNSNEGSA-N 459.572 1.267 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1588082859 AXVFPAZWSJFSNX-IIBYNOLFSA-N 462.959 1.694 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC(C)(C)C1 1589068994 HBUXEYARQQKODH-IRXDYDNUSA-N 455.650 1.850 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1593746829 OEOKIOKUBVBPGK-FUHWJXTLSA-N 497.643 1.618 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1593746831 OEOKIOKUBVBPGK-WMZOPIPTSA-N 497.643 1.618 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1595490301 PCGUUOUQJLPQBG-QGZVFWFLSA-N 483.598 1.622 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1595607900 KYRSJXLIIRZGDY-LNLFQRSKSA-N 478.594 1.750 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)Cc2cccc(F)c2)C1 1595723158 SHZRPAXKTPSWRX-MOPGFXCFSA-N 456.522 1.509 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1595805567 QQGNUIDBTWSHIO-HNAYVOBHSA-N 479.553 1.805 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@](C)(O)C1CC1 1611713196 GAYLEJGPUDMHAL-OHEPNIRZSA-N 474.587 1.499 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CCN1CCOC[C@H]1C 1619897954 AXJBRZQYGSMOEX-HXUWFJFHSA-N 481.601 1.759 30 10 JDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1649540289 CRQAXBHHMFELBB-HXUWFJFHSA-N 451.575 1.747 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)[C@@H](C)CC)c1 1689871962 JWNDDWQIRKICDH-ICSRJNTNSA-N 486.642 1.967 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCC2CC2)CC1 1689892852 OPRUCOPNUWJOMX-HXUWFJFHSA-N 465.620 1.810 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1689978398 UUPZXNIJOBLCPL-INIZCTEOSA-N 464.617 1.359 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1689979872 IPVJLVOCWMVJHW-FGTMMUONSA-N 478.546 1.599 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(NC(C)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1689987718 BENJWGVIDFVJLN-LJQANCHMSA-N 479.566 1.677 30 10 JDEE C#CCN(c1nnc(COCC)n1CCn1c(C)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1689995800 AFTCWEFJGVVYLY-GOSISDBHSA-N 456.572 1.800 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(O)cc2)CC1 1690132451 QSKGZDGQDPYRMS-UHFFFAOYSA-N 450.568 1.973 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1690136606 HPZGNRQJZKTVDL-UFIXSJTLSA-N 453.547 1.284 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cscc2C)CC1 1690146048 DOJVLGRULVKKLC-KRWDZBQOSA-N 461.613 1.564 30 10 JDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690181131 PGQPFGHSQGKWQO-UHFFFAOYSA-N 482.610 1.193 30 10 JDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1690648297 WLNPJRRRJXOEKY-UHFFFAOYSA-N 452.559 1.877 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1690671238 ROEZPFMMMDQGAY-AZUAARDMSA-N 489.598 1.287 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1690672977 JXTUSCDSGBLTAL-UHFFFAOYSA-N 462.514 1.801 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1690724606 SFCJCDFOWCLGDF-CQSZACIVSA-N 450.483 1.731 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)CCO1 1690955670 BBTZKYICWRYUQH-WHUARKNTSA-N 456.572 1.459 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1691008171 FDYRRKBWTGWLAY-QZTJIDSGSA-N 452.563 1.665 30 10 JDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CC1 1697713881 DQSWMDVHVNQKEO-SFHVURJKSA-N 467.574 1.269 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCS(=O)(=O)N(C)C)c1 1705506045 YQUWPXDAQDCJIE-UHFFFAOYSA-N 469.571 1.231 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(C)nn2C)c1 1705507144 STRNAHVECPVQSJ-GOSISDBHSA-N 481.582 1.327 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1705526452 KCTHYKSWCMYVLR-JPYJTQIMSA-N 473.599 1.993 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1CC)[C@H]1CCS(=O)(=O)C1 1705560124 IKOMWGVVZRVDHP-APWZRJJASA-N 479.628 1.126 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705562354 APKLFWOAPDYZHC-OAHLLOKOSA-N 467.954 1.843 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(C[S@@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1705569927 LIHHHGCOBYCMAB-ULKXQASOSA-N 497.646 1.817 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCC[C@@H](O)C1 1705626841 KSYAHEZKCWQFNH-ZWKOTPCHSA-N 450.543 1.829 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cnc(C)s2)CC1 1705643953 DKQIZEINMIXMER-UHFFFAOYSA-N 464.555 1.704 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1705645928 KETVJWJODFZIFP-UHFFFAOYSA-N 466.567 1.360 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC(=O)NCCc2ccccc2)CC1 1705648831 AAZLFZOUHOUFMH-UHFFFAOYSA-N 459.554 1.598 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1705699678 KGFFMRODMMRPIM-SUMDDJOVSA-N 466.608 1.119 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705894805 LYLLQCXBKSTMBM-UHFFFAOYSA-N 496.616 1.096 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(N2CCNC2=O)CC1 1705898425 LHSBDFHPKZAMEM-UHFFFAOYSA-N 473.965 1.903 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1705936196 LLZPKZGUZPUAAJ-ZACQAIPSSA-N 469.608 1.732 30 10 JDEE CCN(C)C(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1709903604 CDQXCKLVGJAQPI-INIZCTEOSA-N 464.530 1.443 30 10 JDEE CN(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)c1c(F)cccc1F 1710997608 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1.034 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@H]1C(C)C 1539417221 ZITGIQJNDSOQIF-AABGKKOBSA-N 483.635 1.148 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)Nc2cccc(Cl)c2C)CC1 1539445833 HYCRDKLHISMSPI-IBGZPJMESA-N 469.977 1.975 30 10 JDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539978235 YXOYSHFAVBJNNF-UHFFFAOYSA-N 454.535 1.065 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2nc(C)ns2)CC1 1539983521 YTZZCGKGTFCHFT-CQSZACIVSA-N 454.626 1.731 30 10 JDEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1540064139 LJYAIFQUBBVACO-UHFFFAOYSA-N 486.598 1.798 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)C(C)C 1540152015 OKRBFPVPASEIFP-ROKPMTFOSA-N 490.674 1.943 30 10 JDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1540857059 UNBLJCZSKPABHD-DLBZAZTESA-N 475.619 1.792 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1540892165 GURCTFROWNIDIL-ZCNNSNEGSA-N 467.636 1.318 30 10 JDEE C[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1541852972 APBILJRXSNPVGE-ICSRJNTNSA-N 489.621 1.842 30 10 JDEE COc1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)c(OC)c1OC 1554907333 FNHOKIKKKZDZKP-OPAMFIHVSA-N 493.561 1.891 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1587861620 OJAGJFYBEDAAFC-ZWKOTPCHSA-N 496.634 1.375 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588040243 KOEBFEATJWSSER-GOSISDBHSA-N 488.591 1.947 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1588049952 OGNJPUSQEISTNI-IBGZPJMESA-N 451.556 1.864 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nncn1CC 1588193269 ABJSXQYYKZGGOU-UHFFFAOYSA-N 466.571 1.318 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2nccn2C(F)F)CC1 1588890840 GHMWOURGKLJFFL-QHCPKHFHSA-N 491.543 1.924 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C1CCC1 1589070079 QJTYFMLTDJOAOQ-QZTJIDSGSA-N 453.634 1.746 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1589530612 XJYOTMJASVFGOD-XLIONFOSSA-N 477.635 1.910 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1589543917 CTASRDXOLXEBHF-ZCNNSNEGSA-N 478.619 1.722 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1594679942 KROIXCWZRGKHEH-HNNXBMFYSA-N 465.580 1.550 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC)[C@@H](C)C1 1595488675 AMCQQQRIHIRHSH-AWEZNQCLSA-N 450.385 1.879 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1c1nncn1C 1595497338 YGMNWADEZWUEAH-KRWDZBQOSA-N 470.559 1.121 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1595562155 PCQBFOZZJWSKOP-HXUWFJFHSA-N 480.617 1.089 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1595562220 QLBPUJOXCOEOIU-KRWDZBQOSA-N 452.519 1.650 30 10 JDEE N#C[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1620356537 BBAZWMRANYFPQF-INIZCTEOSA-N 498.030 1.892 30 10 JDEE C#CCNS(=O)(=O)N1CCN(Cc2c(F)ccc(I)c2F)CC1 1660575857 WQUFDPNUQSZEKA-UHFFFAOYSA-N 455.268 1.155 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)CC1 1678625513 VFTURGBQSNSBCY-ZDUSSCGKSA-N 452.924 1.246 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1690059525 RGPHOXMURDPXCA-ULQDDVLXSA-N 468.624 1.993 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSc2ccccc21 1690104137 NOQMPYROONCILN-MJGOQNOKSA-N 491.639 1.587 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1690115183 WESOTQAQRJZOGN-VQTJNVASSA-N 486.642 1.766 30 10 JDEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690159693 JRJVGJIXHOTISA-MRXNPFEDSA-N 480.612 1.961 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1690328164 GILSYZWFBXXBPS-ZDUSSCGKSA-N 461.997 1.681 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1)C(C)C 1690581168 MCHSZHBWUUAIJW-XRXFAXGQSA-N 490.674 1.594 30 10 JDEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1690626120 YEWVIFNVDAOFDK-HXUWFJFHSA-N 488.614 1.964 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1690675397 ZHTIJSKKSZEGIH-FQEVSTJZSA-N 454.575 1.626 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1690692322 WGYNDRBHAKWUEM-VGSWGCGISA-N 478.571 1.293 30 10 JDEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1690736402 CSXWXCFDVNSIGG-UHFFFAOYSA-N 496.641 1.893 30 10 JDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1690744700 SFMPRDNTUIOUAJ-SFHVURJKSA-N 457.604 1.912 30 10 JDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1696897305 AWCVCUDQSNAOJI-UHFFFAOYSA-N 496.616 1.148 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cnn(C)c2C)c1 1705504431 WIAMONDTBJJWES-OAHLLOKOSA-N 484.586 1.035 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1705559236 VKBJPHIJIOKHIL-INIZCTEOSA-N 479.632 1.226 30 10 JDEE C#CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCC)[C@@H]1CCS(=O)(=O)C1 1705563528 ZAXIFXUJTRKTNR-LJQANCHMSA-N 454.560 1.738 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705564689 CEZREJGUOUPAEO-MZNJEOGPSA-N 498.609 1.226 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CCS(=O)(=O)CC=C)[C@@H]1CCS(=O)(=O)C1 1705569398 GVUIRFLIBNTBAC-QGZVFWFLSA-N 468.626 1.158 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCCCC1 1705582647 GOYVNTHXBUJTKX-LJQANCHMSA-N 463.604 1.281 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccn(-c3ccc(F)cc3)n2)CC1 1705631915 DLORUFQXQHQQRL-UHFFFAOYSA-N 464.549 1.739 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2nccn2C(F)F)CC1 1705642238 MIPQJLDJRJRMBC-UHFFFAOYSA-N 460.514 1.665 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2cccc(C(=O)NC)c2)CC1 1705648971 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DMIKOOQTCDKZBK-UHFFFAOYSA-N 459.572 1.573 30 10 JDEE CNS(=O)(=O)c1cccc(Cn2c(Cc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)c1 1729734911 DSZVBOHEYAHWPS-OAQYLSRUSA-N 455.519 1.662 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN(C(C)=O)C1 1740610651 HVJPZAUYYNRQHJ-OALUTQOASA-N 460.579 1.914 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(CC)cc1)[C@@H]1CCS(=O)(=O)C1 1740616825 HRFWQDZAZRCAKZ-YLJYHZDGSA-N 493.655 1.320 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1740618037 AZALTQWBOMLETR-ZWOKBUDYSA-N 454.618 1.453 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(C)(C)N1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1740622159 VVQLVHZKSSHXOV-GOSISDBHSA-N 474.631 1.789 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@H](C(F)F)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740626981 DIQULTTUBNMQGR-KZNAEPCWSA-N 487.573 1.112 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NC(C)C 1740647103 OCRDLJLZXDAUME-UHFFFAOYSA-N 469.615 1.924 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C)c2)CC1 1740705072 AJGZGYCZERTJJL-FQEVSTJZSA-N 455.584 1.503 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C/C=C/c2ccccc2)CC1 1740705298 DWMUGVAILSWMHM-JLXBBBJOSA-N 467.595 1.859 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCN(C)C(C)C)CC1 1740706377 SYSMJYOSYOFJMX-UHFFFAOYSA-N 455.563 1.312 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(OCC(N)=O)CC1 1740762215 CGTCFCZRBKENLL-GCJKJVERSA-N 457.579 1.592 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)c(OC)c2)CC1 1740825625 QCQYOOWMJUSIDF-FQEVSTJZSA-N 477.587 1.833 30 10 JDEE C=CCCCn1c(-c2cnccn2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1740875301 ZMWFFABDGPZEIR-NJAFHUGGSA-N 489.602 1.828 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1740985370 GLOBWDUDTRYAOV-IIBYNOLFSA-N 469.608 1.182 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccc(O)c2)CC1 1740991795 DVQJQHDNACHREX-SFHVURJKSA-N 461.588 1.805 30 10 JDEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1748481105 FOVNANXHRMTUQR-PKTZIBPZSA-N 489.598 1.674 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CN(C)C)c1 1748672259 RFOWSPUQIDRKMH-XLIONFOSSA-N 460.604 1.179 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1748751992 PQNGHNCYKIKESV-NRFANRHFSA-N 490.674 1.364 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1748822107 XRELRFPWIUQHDV-SFHVURJKSA-N 459.572 1.051 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn2ccccc12 1748831216 HQAGCPICRGTTNZ-UHFFFAOYSA-N 473.562 1.964 30 10 JDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1Cc1ccc(-n2cncn2)nc1 1748859081 CCNVGGWRRIWUHI-UHFFFAOYSA-N 454.494 1.963 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748944648 ARXIJBUJJBDYNA-IEBWSBKVSA-N 474.562 1.290 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCOC1=O 1748945166 MHEBKPYKQXNNOB-GOSISDBHSA-N 475.546 1.801 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1748956283 BLINEQPYFLYNQZ-FQEVSTJZSA-N 468.963 1.243 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCNC(=O)C2CCC2)CC1 1748979682 IYMQLIRBPLRZPR-UHFFFAOYSA-N 451.531 1.915 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1749006054 HFNVPCALHCLXDN-SFHVURJKSA-N 483.960 1.553 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1749682198 PJVUOUHFBCLAIG-LZLYRXPVSA-N 453.609 1.512 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCNS(=O)(=O)CC 1760111598 PGSHNGUGLNTCSP-MRXNPFEDSA-N 471.587 1.462 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(=O)CCC)cc1 1760118125 YLGOHRGMIXCFGA-FXAWDEMLSA-N 488.614 1.856 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCNC(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1760184002 FYWSZGCFXSKYMQ-MRXNPFEDSA-N 470.580 1.458 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1760235632 RXBHLPNTZCEVGC-UFYCRDLUSA-N 466.652 1.439 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(c2ccncc2)CC1 1760249672 QCJOAVZYIGABNB-FQEVSTJZSA-N 472.615 1.578 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2CC2CCS(=O)(=O)CC2)n1 1760253140 WFUAUQQILPLEBP-UHFFFAOYSA-N 483.598 1.648 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1760281910 RSNZXDMTVUBAGY-ROUUACIJSA-N 451.662 1.857 30 10 JDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC1CCCC1 1760306169 CVRJKTHNCJDKNQ-CQSZACIVSA-N 464.386 1.830 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1760413036 WOMOFOBZTBJUHD-KGVIQGDOSA-N 483.635 1.598 30 10 JDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760509535 NMLPCFQZMCPZNP-HNNXBMFYSA-N 457.560 1.379 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(Cc3cccc(F)c3)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1760528898 QHGOZXOOUQRVHH-DEOSSOPVSA-N 486.548 1.220 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1760556091 UQYMNYQNPVZNNE-RBUKOAKNSA-N 459.572 1.716 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1760556316 ZQTVOOCTTBUUGN-ZWKOTPCHSA-N 453.609 1.514 30 10 JDEE CCCNC(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1764544765 HVYCJAHDFRXJLP-QGZVFWFLSA-N 460.546 1.633 30 10 JDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1767822406 BTAOTVQWWKKJCG-GOSISDBHSA-N 492.506 1.541 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N(CCC#N)CC3CC3)n2CC2(O)CCOCC2)c1 1768523029 CWRXTTXYXRQMET-UHFFFAOYSA-N 488.614 1.867 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C1CCCCC1 1771112077 FMWYJVAHGYSZSL-QGZVFWFLSA-N 466.608 1.338 30 10 JDEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCNC(C)=O)cc1O 1862609460 NMVNIUKNPQRRQD-NRFANRHFSA-N 468.462 1.886 30 10 JDEE CCOc1cc(N2CCOCC2)c(OCC)c2c(=O)c(C(=O)N=C3CCN(C)C(=O)N3)c[nH]c12 1866449685 FZJRFICSDZQVRN-UHFFFAOYSA-N 471.514 1.746 30 10 JDEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(C)=O)s2)c(=O)cc1CN1CCC(O)CC1 1870585366 UTXQETSMROXEAT-UHFFFAOYSA-N 460.556 1.976 30 10 JDEE CCn1cc(C(=O)N2CC(NC(=O)OCc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2247911842 YZPANJIQCHKOIL-UHFFFAOYSA-N 454.336 1.953 30 10 JDEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 2255606355 RVFKHBJLJJHURM-QGZVFWFLSA-N 469.351 1.597 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CCO1 2255802889 GSRBCYAFXWGZAF-CYBMUJFWSA-N 453.370 1.808 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@]2(CNC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)C[C@H]1CO2 2267152500 NMJHHQOTAWPZMJ-ZSEKCTLFSA-N 465.381 1.951 30 10 JDEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C 2267191644 GAVSJMPVSWLPOD-CQSZACIVSA-N 450.341 1.610 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267271869 VIDMDQTUDJYRIT-RZQXLCLMSA-N 466.369 1.681 30 10 JDEE Cc1nc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)CCO)c(B2OC(C)(C)C(C)(C)O2)n1C 2267473042 ZKVFCOZTRBOURB-MRXNPFEDSA-N 463.409 1.990 30 10 JDEE Cn1cc(C(=O)N2C[C@@H](F)C[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267503626 GOUSTZIJWDOAQV-UONOGXRCSA-N 452.336 1.797 30 10 JDEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267705945 ORVCZIZBCYZOSQ-KBPBESRZSA-N 470.401 1.396 30 10 JDEE COc1ccc(S(=O)(=O)N[C@H]2C[C@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267719285 FDZAMGCBPGWGRS-CVEARBPZSA-N 468.381 1.938 30 10 JDEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C2)C1 2281930225 IXPOFVXOSUPJIU-QFIPXVFZSA-N 462.356 1.561 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](CNC(=O)OC(C)(C)C)C3)n1 2281951750 NIPCRHVFMRTWNN-KKUMJFAQSA-N 461.372 1.632 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](NC(=O)C(F)(F)F)[C@H](C)C1 2281980571 JZVUGAMAIWWREN-OCCSQVGLSA-N 458.290 1.731 30 10 JDEE CC(C)(C)OC(=O)NC1(C(N)=O)CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CC1 2282055971 LOFSHQIBVJXJLL-UHFFFAOYSA-N 480.396 1.427 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@H]2COC[C@@H]12 2282190333 PRFHTLSCILLOIG-KSZLIROESA-N 459.352 1.745 30 10 JDEE CCN([C@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282352479 ACSWUCNKTSYOOL-HNNXBMFYSA-N 484.428 1.739 30 10 JDEE Cc1nn(C)c(C(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2282563591 HPTCTQMXMOEOTQ-LJQANCHMSA-N 498.389 1.795 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1 2282588767 IYMDTNLJNNNEKC-OAHLLOKOSA-N 464.372 1.568 30 10 JDEE Cn1nc(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C2)cc1B1OC(C)(C)C(C)(C)O1 2282621002 MNBAZAPZVXRNNM-OFQRWUPVSA-N 464.372 1.113 30 10 JDEE Cn1nc(C(=O)NC[C@@H]2COCCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282625676 YNENOJRXFFASMK-HNNXBMFYSA-N 464.372 1.333 30 10 JDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2282981929 APBQXSANDIEPDT-UHFFFAOYSA-N 464.324 1.109 30 10 JDEE COC(=O)[C@@H](CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1)NC(=O)OC(C)(C)C 2284011714 PGJBCHQDTZWHAX-CQSZACIVSA-N 464.328 1.479 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)n1C 2362331219 GRNMCLJYJHINDY-RTBURBONSA-N 498.389 1.841 30 10 JDEE CO[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nc(C)n2C)C[C@H]1NC(=O)OC(C)(C)C 2362483106 MHGGAPJABRVYOF-HUUCEWRRSA-N 464.372 1.392 30 10 JDEE CN(C)c1ccc([C@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72444339 PSUYLVXQKQTYDJ-DLBZAZTESA-N 450.499 1.403 30 10 JDEE N#C[C@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@@H]1c1ccc2c(c1)OCCCO2 72461111 ITRNTZVVHQQYIB-CRAIPNDOSA-N 479.493 1.498 30 10 JDEE CN(C)CCCN1C(=O)C(=O)/C(=C(\O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1cccnc1 103105309 XQBNGSDZULEIAF-LCPUNJGISA-N 472.567 1.705 30 10 JDEE CCCCCCCCNC(=O)Oc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1NC(C)=O 256004507 ULFHIENXDOWOOW-CSEOROSGSA-N 468.547 1.458 30 10 JDEE CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1181265311 AJDVADWUJKBPLP-UHFFFAOYSA-N 450.561 1.831 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1N1CCOCC1 1286298785 PCGDMKVEUSOOFH-SJORKVTESA-N 461.563 1.662 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1286380890 JVEDBQONALNMOP-QGZVFWFLSA-N 473.603 1.140 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1286389128 GAJMFSFBGDHRCH-QZTJIDSGSA-N 487.582 1.312 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC(C)(C)C 1286426580 ZYHABQYKQDMKQP-UHFFFAOYSA-N 459.554 1.960 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N2CCOCC2)CC1 1286448457 VFMBJDVWXUGZAB-IBGZPJMESA-N 474.606 1.911 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)n1 1286472510 YQYBLDZJOWQCDO-QFIPXVFZSA-N 461.526 1.715 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccnc2OC)CC1 1286663119 GTOHTLZXYQXANO-SFHVURJKSA-N 462.576 1.465 30 10 JDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1286774504 SKXVPBKRUJGWPC-JKSUJKDBSA-N 494.618 1.324 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1286814231 NVYHMJIWCMKAQP-IBGZPJMESA-N 490.634 1.240 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](OC)C1 1286815316 RGTPIVAONQUCJV-MRXNPFEDSA-N 454.574 1.175 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCCNC(C)=O)c1 1300331657 NZDOPIWKOPZINJ-UHFFFAOYSA-N 474.525 1.508 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1300489029 ZGPAKYSSGFYICH-RXVVDRJESA-N 460.629 1.404 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300506723 XLFVOUXJTPNVDF-RTBURBONSA-N 463.604 1.595 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(C(N)=O)c1 1300527602 JBHKLUGDXBVGMT-UHFFFAOYSA-N 461.551 1.458 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1300544920 DJCULDBFBVUNJG-LJQANCHMSA-N 450.568 1.847 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)cc1 1300578165 IICRSGZQWDODBS-HXUWFJFHSA-N 476.002 1.970 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CN2CCCC2)cc1 1300631463 QPYWFKWTTGGLCT-JOCHJYFZSA-N 486.642 1.715 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@]1(N2CCOCC2)CCSC1 1300663603 FRALRNRTKBMYCP-HSZRJFAPSA-N 456.616 1.942 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCc2ccccc2C1 1300671680 MFSHMYDEEIEQKH-QFIPXVFZSA-N 471.627 1.715 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCS(=O)(=O)CC2CC2)CC1 1300688899 MFHWPJCSSHVVFM-UHFFFAOYSA-N 458.544 1.433 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1300726607 QTXURRLXFDAFOL-UHFFFAOYSA-N 457.600 1.894 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCNC(=O)C2CC2)CC1 1300726964 SPEKOZNLHCGBDJ-UHFFFAOYSA-N 464.570 1.370 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2([S@](C)=O)CC2)CC1 1300730548 AJPNQECZVMQACJ-UMSFTDKQSA-N 485.610 1.743 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1300731839 XBTVONLPCGVWJK-OSPHWJPCSA-N 471.533 1.502 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(CC)nn(C)c1CC 1300805894 KNBHEHRDEJLARA-NFBKMPQASA-N 489.646 1.510 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1301491086 DGKWZLDUJURDGA-HXUWFJFHSA-N 485.608 1.618 30 10 JDEE CC(C)OC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1303529866 DQOOCWNRRTZOOI-QHCPKHFHSA-N 489.598 1.672 30 10 JDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1314627885 DIFQRNYIUYTBIG-QFIPXVFZSA-N 492.628 1.851 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nnnn2CC(F)(F)F)cc1 1357308900 HUSRKWJNNSDPIM-UHFFFAOYSA-N 450.468 1.773 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1358958131 IFVNPAWSDXSNRB-QGZVFWFLSA-N 466.585 1.012 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 1358960033 VDJOGTRXHDECDW-HYHOCUEZSA-N 480.550 1.098 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(C(=O)NCC)cc1)[C@H]1CCS(=O)(=O)C1 1358961822 FRXMVPXZVGQVTQ-FQEVSTJZSA-N 455.584 1.970 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358966275 LIVDVIUODPPMQE-YADHBBJMSA-N 487.674 1.887 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)cc1)N(C)C 1358984675 DAWBAAKYGOMENI-PZJWPPBQSA-N 456.616 1.963 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CN(C)C1=O 1359024528 PAWWWNMTLZBONL-MHECFPHRSA-N 474.606 1.957 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@H](OC)C(F)(F)F)CC1 1359043818 KEVFFSKVFUBUIL-INIZCTEOSA-N 453.469 1.612 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCCN2CCC[C@@H]2CO)CC1 1359047640 NYVIZKGIJSPUHD-NHCUHLMSSA-N 458.607 1.332 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](c2ccco2)N(C)C)CC1 1359048443 QUQQSOBDJAQMNL-VWPQPMDRSA-N 484.601 1.864 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359188529 PFFVSYMKCANYAK-HNNXBMFYSA-N 464.592 1.303 30 10 JDEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359210075 JBZXTTMBRRSXKO-CQSZACIVSA-N 489.374 1.829 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1359298646 HVHMCMGKLXHSKQ-MRXNPFEDSA-N 478.557 1.034 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1359302252 AFBRMOBDFKMHMR-UHFFFAOYSA-N 492.584 1.613 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1359306078 VKBGNCQMSMAPFE-QEUVDIPISA-N 460.623 1.656 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(S(C)(=O)=O)CC2)cc1 1359308658 VDDSFHNTZMAYFN-GOSISDBHSA-N 494.639 1.807 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCC(=O)NC(C)C)C1 1359315920 DTSULKZNFWABOJ-IBGZPJMESA-N 451.535 1.617 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2cccc(O)c2)CC1 1359333832 LNVFGCDTSBDZKT-UHFFFAOYSA-N 468.583 1.897 30 10 JDEE CC(=O)N1CCN(Cc2cccc(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)c2)CC1 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C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1507712561 IQMQTPPUHVPUQA-PMACEKPBSA-N 453.543 1.840 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1507724597 TXQLDNLBZJDWFH-NRFANRHFSA-N 453.610 1.789 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1507807401 DBLSEGLNPVHWRY-GHDARCQNSA-N 468.620 1.923 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1507955008 UGCZDKCNCSMIQV-KNQAVFIVSA-N 479.578 1.814 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1508073784 PFFITFWMOYYNEZ-UHFFFAOYSA-N 462.576 1.164 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(CCO)Cc1cc(Br)ccc1F 1508084433 BGNPAGYICCNYLF-MRXNPFEDSA-N 495.353 1.432 30 10 JDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1508154815 DPJNIYICVNBQBL-UHFFFAOYSA-N 453.572 1.780 30 10 JDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CCN1CCOC 1514135907 APFQTUXAOPLLHL-OAQYLSRUSA-N 467.574 1.223 30 10 JDEE CN(C)[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)CCSC1 1516986355 ATKJFVNTAYBDTF-JOCHJYFZSA-N 489.671 1.772 30 10 JDEE CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCCCC2)CC1 1519571674 BJIBEEZYDSTWJO-UHFFFAOYSA-N 485.614 1.737 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)C1=O 1524407320 MIKKBGHOYUTZTG-UHFFFAOYSA-N 453.480 1.919 30 10 JDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1539148438 KWBBYXUMNJXBRR-MAUKXSAKSA-N 460.560 1.124 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CCNc1nccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1539224381 GDFTYSIFEMFZIY-HNNXBMFYSA-N 483.520 1.778 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539225052 LKIJATFBTNCBFC-NRFANRHFSA-N 499.637 1.953 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CC[C@@H](C(F)F)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539226233 VXUZHUJURGXCJY-ROUUACIJSA-N 471.574 1.213 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1539229937 AFUZMUSNVQXPRJ-JKSUJKDBSA-N 451.574 1.408 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)CC1 1539473941 FVLRZUHZCLXMBG-UHFFFAOYSA-N 452.584 1.898 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)c2ccccc2)CC1 1539477624 SZDGELAGBKEAPD-DVECYGJZSA-N 450.543 1.103 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C(=O)NC2(CCCC2)C1=O 1539538200 FCUVBUKCYFOQDN-HRAATJIYSA-N 491.618 1.135 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CCCCC1 1539556346 BOSBEHNNSILRIT-PTUXOGIPSA-N 479.647 1.934 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H]([C@@H]3CCCO3)C2)cc1 1540877003 IFWWJULPJAXHKL-DZFGPLHGSA-N 491.614 1.886 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCS(=O)(=O)C2)C1 1540897002 YHOCNBANESAWKU-XWSJACJDSA-N 454.593 1.608 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@H]3CCCS(=O)(=O)C3)CC2)c1C#N 1543001901 HHLKWEKFZWTONC-GOSISDBHSA-N 474.635 1.542 30 10 JDEE CCN(C)C(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1 1547319970 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C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588074680 PSCASXMFPDGQDU-MLNNCEHLSA-N 493.674 1.893 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCN1S(C)(=O)=O 1588581011 CEZJMURHSPQCIA-LJQANCHMSA-N 483.598 1.845 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)NCC(F)(F)F)CC1 1588733669 YAHLQUXUOXTGES-UHFFFAOYSA-N 477.491 1.581 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](F)COC)CC1 1588876985 QBRZDHJNZAPTQS-OKZBNKHCSA-N 450.559 1.789 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1588976169 QTIUDEYTZSEIOF-KRWDZBQOSA-N 491.643 1.400 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H]1OC 1589216583 SCNVIGRYXAIILK-DCXXXQMHSA-N 451.593 1.418 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1589484974 WTWKYWLUGKSUEY-KURKYZTESA-N 473.578 1.164 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(=O)NCC)CCC1 1589664211 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C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1C[C@H](C)O[C@H](C)C1)C1CC1 1690545499 SKQJPLIFLAMESC-WSTZPKSXSA-N 482.651 1.265 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1690697428 VFIKNROIYXAADG-CVEARBPZSA-N 462.551 1.304 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(NC(=O)N(C)C)cc1 1692779744 CWIPOYZYOUUUOL-VBKZILBWSA-N 478.554 1.472 30 10 JDEE CC(C)N(C)Cc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1692799088 FKMVXTGCPKXXGG-XLIONFOSSA-N 475.619 1.506 30 10 JDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CSCCS2)CC1=O 1698084798 AHQHMIIMCAOFDB-GOSISDBHSA-N 458.613 1.960 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC=C 1705496123 ZYEABVRHMDYVMR-SJORKVTESA-N 467.592 1.645 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCCN2CCOC2=O)c1 1705504219 QHMXQMSSYJSQLM-UHFFFAOYSA-N 479.541 1.413 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CC2(C(N)=O)CCOCC2)c1 1705507213 VGSGXRHAJRTTRK-UHFFFAOYSA-N 450.543 1.884 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1705562379 BDGIBUGVNNISLU-INIZCTEOSA-N 494.415 1.731 30 10 JDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCNc1nccc(C(F)(F)F)n1 1705580015 AZLLCAXULFVPTQ-UHFFFAOYSA-N 472.431 2.000 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nc2ccccc2[nH]1 1705582588 FALDCWPYUPULIW-FQEVSTJZSA-N 481.582 1.193 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCOCC(=C)C)CC1 1705647294 CUCLOAKUQXTNQL-UHFFFAOYSA-N 454.531 1.564 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CCN2CCSCC2)CC1 1705651141 LPURYVLVOBCVFO-UHFFFAOYSA-N 498.653 1.880 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccco1 1705662280 VENVBQSQLOMEAM-NVXWUHKLSA-N 453.590 1.768 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)on1 1705737554 UXCFEASZDCIUBK-KRWDZBQOSA-N 454.553 1.137 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ncccc2Cl)CC1 1705769099 IXSMWLNGAJFMRA-KRWDZBQOSA-N 482.994 1.895 30 10 JDEE C=CCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705893364 FCDFMDCAVKDERB-OTWHNJEPSA-N 473.622 1.978 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1705899960 LSGPFTNARLFYST-LJQANCHMSA-N 466.590 1.165 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1705902472 FPWNORDYKZZXNW-ZWKOTPCHSA-N 453.547 1.643 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C(N)=O)nc2)C1 1705920516 YVRAZAYFQBBVIU-SFHVURJKSA-N 482.566 1.672 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1705927567 ARUNDSAOTSXTIY-UHFFFAOYSA-N 468.624 1.100 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCOCC1 1705936259 MPTKGLKDSYUGBX-UHFFFAOYSA-N 461.592 1.280 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1c2ccccc2C[C@@H]1C 1706870733 HRJIQLDMTJSUDW-QYWGDWMGSA-N 461.567 1.781 30 10 JDEE CCO[C@]1(c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2C[C@@H](C)N(C)C)CCOC1 1710477753 CWOTVLDNHNQYAX-WZONZLPQSA-N 454.579 1.474 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](OC)C2CC2)c1 1722306134 OHHVVDUEKVYMNA-HXUWFJFHSA-N 450.543 1.995 30 10 JDEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)NCCOC)CC1 1722332248 HAMPOUBHHBMTAW-NRFANRHFSA-N 468.558 1.089 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1722397329 JCGGOAQTHYKIQP-GOSISDBHSA-N 473.537 1.552 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOC(C)C 1722422802 UTLIWNZOERVNBJ-HXUWFJFHSA-N 479.578 1.815 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1722448969 JPLFCCBMYWFWMO-HSZRJFAPSA-N 479.629 1.587 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC[C@@H]2COCCO2)CC1 1722449365 QFESBNMZXVIOSS-LJQANCHMSA-N 458.588 1.405 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC)C(=O)C1 1722510675 WMLKBQRLCXBCGX-AOIWGVFYSA-N 451.593 1.220 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1722527775 ADBYMBCQBNLPLK-PGRDOPGGSA-N 463.604 1.887 30 10 JDEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722623697 KQFOVTZEOUBQKN-UHFFFAOYSA-N 489.602 1.992 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722724440 WXUNEDYNNSXBPK-DLBZAZTESA-N 492.577 1.714 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCOC1 1722726953 HGSWPGVPHGQJFJ-INIZCTEOSA-N 472.571 1.501 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)OC)CC1 1722751824 WFXBDILOXAQJNF-UHFFFAOYSA-N 496.611 1.339 30 10 JDEE CC(C)[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1723942129 BRYACADEIYORJH-FDDCHVKYSA-N 489.646 1.884 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1740534546 ZONHNIWPGBNLOX-FHWLQOOXSA-N 474.631 1.615 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccc(C)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740615792 LFFHOOACVSFZON-VXKWHMMOSA-N 498.653 1.752 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCC1CCCC1)[C@H]1CCS(=O)(=O)C1 1740616408 AMJARRIVZQDBHI-AEFFLSMTSA-N 471.649 1.485 30 10 JDEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1740616639 DRLBEHSEHKFBDP-HXUWFJFHSA-N 490.651 1.810 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1740617984 ZVAOQXNULGWBAH-HZPDHXFCSA-N 463.535 1.320 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CC(=O)N(CCOC)C1 1740639653 WNECFYSLZSXTFO-SFTDATJTSA-N 498.628 1.960 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCSC)CC1 1740706021 PAJLKJFPMMQWBD-UHFFFAOYSA-N 479.610 1.911 30 10 JDEE C#CCSCCn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1740722120 ABARRGIQFBRXGA-RXVVDRJESA-N 483.660 1.301 30 10 JDEE C=C(Br)Cn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1740749188 QKYSQNPUCFDITO-KNBMTAEXSA-N 470.412 1.996 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1740750124 MATSMNDLMRYPGB-IEBWSBKVSA-N 480.635 1.403 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1740877283 ZZECJUKAGJGFSB-IBGZPJMESA-N 464.636 1.281 30 10 JDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1740880845 PCWUXKTUYLBKKT-TZIWHRDSSA-N 496.616 1.507 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn(CCCC)nc1C 1740899375 ARNKLQNTJYHSEP-SFHVURJKSA-N 451.597 1.587 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCSC(C)(C)C1 1740959062 JSQYCULNICUXMC-UHFFFAOYSA-N 453.572 1.826 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](COC)C1 1740959371 SRLANBKZYOCFRE-LSDHHAIUSA-N 453.503 1.136 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)N1CCOCC1 1740968686 NFTRRRONMXYUCC-UHFFFAOYSA-N 468.558 1.422 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(S(C)(=O)=O)CC1 1740988368 BZOIOTAKELQUTC-UHFFFAOYSA-N 498.627 1.577 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)OC)CC1 1740988409 DGIXCKLKBXMZMR-UHFFFAOYSA-N 479.559 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C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccnc(SC)c2)CC1 1760271208 PSGYTUNSLBFXNO-UHFFFAOYSA-N 467.599 1.532 30 10 JDEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)COC)CC1 1760310434 FCOAZQRCMDGLLA-UHFFFAOYSA-N 452.357 1.343 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1760315290 CGTDRZBRMQEKHS-MKXGPGLRSA-N 482.651 1.611 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760328576 XYJXUFVZQUTJKB-QRVBRYPASA-N 460.579 1.284 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1760526594 CXGVKJCHNYSXKF-UHFFFAOYSA-N 475.553 1.559 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1760548513 IFKISUHYLJYKKL-IRXDYDNUSA-N 466.608 1.045 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1760548913 SERTZVXMHFBJHF-QGZVFWFLSA-N 493.659 1.455 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C1 1760549394 DDLHXUVZKBSJBI-ZWKOTPCHSA-N 486.539 1.835 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CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCOC[C@H](C2CCC2)C1 1298101419 ANPFEVZOJVTHOM-HXUWFJFHSA-N 458.588 1.961 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](N1CCOCC1)C(F)(F)F 1300268270 QKEFJJDQMYSVEF-CABCVRRESA-N 451.453 1.646 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCOc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1300490681 BKWSAQMRLKUZFY-FUHWJXTLSA-N 461.519 1.074 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2cccnc2)C(C)C)CC1 1300684306 ZUXCBVLVNTWPPK-QUCCMNQESA-N 459.620 1.478 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1300763692 QZTCYQOMDFZSPI-SFHVURJKSA-N 475.644 1.280 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@H]1C 1300884887 MNQXEYQORLQUJW-YSHGAJCASA-N 451.593 1.218 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CN(CC(C)C)CCO1 1300916243 VPLOYFMQFBMZRZ-UXHICEINSA-N 484.667 1.370 30 10 JDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1301108708 VYQAKHAHPPILNY-UHFFFAOYSA-N 458.588 1.807 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1301479201 WDNOIGUUCOPYJR-CABCVRRESA-N 467.621 1.339 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCNC(=O)[C@H]1CC 1301567974 AYAZWLJGTQKAPZ-NVXWUHKLSA-N 465.551 1.873 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CNC(C)=O)CC1 1301575879 MCBBKVGXGNQWOH-UHFFFAOYSA-N 499.435 1.989 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)[C@H]1C 1301611816 RUWIGQFYYXXHKO-OAGGEKHMSA-N 461.679 1.860 30 10 JDEE C#CCN1CCC[C@@H](NC(=O)N2CC[C@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1313293235 XLFTVDTWZCMCOB-HCXYKTFWSA-N 461.563 1.308 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1358966414 OQNJZZHBFIEWMJ-AZUAARDMSA-N 455.540 1.534 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1358991881 RPYLJYVEYIZOHF-VWLOTQADSA-N 457.538 1.616 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCS(=O)(=O)C1 1359019744 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MYGQSOJGGGNDER-CQSZACIVSA-N 456.362 1.200 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1503829347 BJLWBKUATOKFKP-QGZVFWFLSA-N 473.603 1.055 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCSC1 1507537423 IDQTWGIIASLJEO-QYWGDWMGSA-N 451.593 1.912 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCc2ccccc21 1507538826 PJMXQQUFPOJGFD-BBTUJRGHSA-N 472.615 1.520 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCCC2)c1 1507551757 YUBFMAGNZSUXLL-CTNGQTDRSA-N 498.653 1.968 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(CC)ns2)CC1 1507573813 JZJTUWVTDQSAIZ-CQSZACIVSA-N 452.610 1.042 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1507626634 OJNKPRPAKCEVAE-MOPGFXCFSA-N 494.639 1.706 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)c2ccc3c(c2)OCO3)CC1 1507717171 ZRUNAZOQNHXOKV-UHFFFAOYSA-N 452.559 1.878 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)n1 1507717232 SBEXJEKWIMUTKF-QFIPXVFZSA-N 461.526 1.715 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1507722737 GVIWBLZTDCMCFH-OAQYLSRUSA-N 481.645 1.744 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCN2CCOC2=O)CC1 1507738001 HMDXOYCPAZTWEA-UHFFFAOYSA-N 451.531 1.457 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCCN2CCOCC2)CC1 1507742277 FLBMFNNANZHACZ-UHFFFAOYSA-N 464.614 1.865 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)(C)C 1507796967 KAONMDFQUIJGLB-JZXOWHBKSA-N 453.609 1.512 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C(=O)NC)C1 1507797496 POHKTKLXVAGPAL-XYPHTWIQSA-N 479.379 1.968 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)OC)CC1 1507838359 AOMGMBHLFQCYGA-UHFFFAOYSA-N 492.602 1.677 30 10 JDEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1508058054 NTXQNBLHCJRKBN-QGZVFWFLSA-N 451.531 1.592 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1508095787 UUFLLUSZBOYKDL-GOSISDBHSA-N 484.536 1.242 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C)C(=O)C1 1508132562 ZPMALTOKEXSMSD-SFHVURJKSA-N 461.588 1.914 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1508145275 ZAUXVVAKUNAXQV-UHFFFAOYSA-N 472.615 1.704 30 10 JDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1515059720 BXHKYHWFUPMXDG-UHFFFAOYSA-N 463.521 1.989 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1539155315 VFKDZZWASVMXCF-PGRDOPGGSA-N 459.572 1.603 30 10 JDEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1CCC(=O)N1CCOCC1 1539420552 HLLTZOCPZKJPSG-UHFFFAOYSA-N 450.543 1.616 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1539612952 RVVFTPKDVCWBJT-QRVBRYPASA-N 480.635 1.261 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)C 1540135973 DXEGCHWTSBFAPI-FXAWDEMLSA-N 480.610 1.893 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COc2ccccc2O1 1540200607 FCEGEXPFWIBSTP-PXNSSMCTSA-N 493.586 1.090 30 10 JDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 1540857051 SWFNRAUNOWMQST-UHFFFAOYSA-N 450.547 1.119 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1540863465 WZQGSKKNUOKEPR-MRXNPFEDSA-N 482.520 1.446 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCCS2(=O)=O)C1 1540886758 IZIMGYVZXKIHLW-INIZCTEOSA-N 452.968 1.810 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1540907777 IDEPATRLFGUTBC-UYAOXDASSA-N 494.662 1.300 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1541803248 FHWIFCFSBIBVJU-ZBFHGGJFSA-N 451.574 1.370 30 10 JDEE CCn1cc(S(=O)(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)[C@H](C(=O)NC)C2)cn1 1548367719 JEMCZJVSOHHCOL-KRWDZBQOSA-N 470.477 1.419 30 10 JDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1554482514 AWGLSVYHZZLMJM-UHFFFAOYSA-N 452.588 1.956 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1588024722 KCMBRBHPMYCHNI-GOEBONIOSA-N 464.617 1.612 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1588068849 ARTWVOCKBFDYOH-GOSISDBHSA-N 499.618 1.953 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588069462 OLMXMAVEYXFRDM-QZTJIDSGSA-N 490.655 1.381 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1C1CC1 1588384755 ASNMHDWORNQIPW-MOPGFXCFSA-N 450.609 1.087 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2cccc(F)c2)CC1 1588923610 GMNOQSYZLGOUKX-IBGZPJMESA-N 454.506 1.413 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCC(=O)Nc2ccccc2)CC1 1588930183 PEQRWWUBAODXRL-IBGZPJMESA-N 450.543 1.777 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(OC)CCOC1 1589171977 WBFRCANRXVHWPA-DHIUTWEWSA-N 473.599 1.993 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)C(=O)C1 1589296133 OMGWJSLGMWGDEO-AWEZNQCLSA-N 489.440 1.778 30 10 JDEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)NCCOC)CC1 1589317780 UOYBCTRPUVUTCI-UHFFFAOYSA-N 467.368 1.640 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1589481728 BVPUCPXXHNIGBZ-YRPNKDGESA-N 476.622 1.765 30 10 JDEE C=CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)C(=O)C1)c1ccccc1 1594544271 HZYUSBRAGVQWAS-LEWJYISDSA-N 487.626 1.835 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccc(F)cc1 1594962607 MRRHBLLBRKHMBH-MSOLQXFVSA-N 453.540 1.760 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1595785185 SSIKIZWMGJRSSU-MRXNPFEDSA-N 461.548 1.958 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@]3(CCCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1595831525 RGUKYGPAJHHSMW-YADHBBJMSA-N 468.620 1.926 30 10 JDEE CCCN1CCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1614889290 AVTHMIDSRCHOEY-RBUKOAKNSA-N 465.624 1.225 30 10 JDEE CCO[C@]1(c2nnc(N3CCN(c4ccccc4C#N)CC3)n2C[C@H](COC)OC)CCOC1 1616252394 CUCSLXGSGQKFLG-HYBUGGRVSA-N 470.574 1.790 30 10 JDEE C#CCN(CC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OC(C)(C)C 1628358028 NDEDHAFPMABZOQ-UHFFFAOYSA-N 455.508 1.655 30 10 JDEE N#Cc1cccc(-c2cnc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)[nH]2)c1 1635916883 FSACQYIFVSAAFJ-UHFFFAOYSA-N 451.508 1.899 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2nn[nH]c2C(=O)OCC)ccc1F 1637910572 SDOBVJIDFSUTNY-CQSZACIVSA-N 451.480 1.562 30 10 JDEE C[C@H]1COCCN1CCn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1C(C)(C)C 1649563475 GCMVDCVIVMAWFH-MSOLQXFVSA-N 453.595 1.673 30 10 JDEE C#CCNS(=O)(=O)N1CCN(Cc2ccc(I)c(Cl)c2)CC1 1654025783 RIFSXRKJDHDUFZ-UHFFFAOYSA-N 453.733 1.530 30 10 JDEE C#CC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 1665908582 HNHJLQCVRBVIJO-KRWDZBQOSA-N 450.561 1.204 30 10 JDEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1689904469 WRYWXWCAIVZFSI-UHFFFAOYSA-N 492.584 1.436 30 10 JDEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1689984353 NXAXCXSRPNPCKH-GOSISDBHSA-N 489.598 1.457 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CN(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1689987846 DBVCZKJCFXCZIO-YADHBBJMSA-N 498.653 1.746 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1689989004 AECCXMYOYJNWLU-RTBURBONSA-N 462.597 1.164 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1689990102 LPNIHDJQCNIWBV-IRXDYDNUSA-N 452.968 1.697 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1689995824 AWKRZNLUFNGDPY-IBGZPJMESA-N 492.573 1.555 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1689996561 JWCOHUQCBSKMBU-IBGZPJMESA-N 482.614 1.276 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC[C@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689997185 XNCFWROHYQHOGS-IRXDYDNUSA-N 488.536 1.734 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[S@@](=O)C(C)(C)C 1690098083 UUTUFESHQJTNLE-JGCGQSQUSA-N 456.576 1.554 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)NCC(F)(F)F)CC1 1690154372 MPJXTYNQXJBCFR-SJLPKXTDSA-N 498.550 1.841 30 10 JDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N1CCN(CC)CC1 1690524061 YNCYWKMOVUKDHP-SFHVURJKSA-N 450.591 1.840 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1690677889 DJFQMRDMELHUSR-VHFSOBRXSA-N 475.512 1.834 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(C)cc2C1 1690715060 BTKUCQUXMAKQDD-MRXNPFEDSA-N 497.643 1.369 30 10 JDEE CCCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1695442854 FYPSKSGCRMRWJL-UHFFFAOYSA-N 491.600 1.932 30 10 JDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(S(C)(=O)=O)cc2)CCOC1 1696053227 GZDIIBFTOMFIGG-NHCUHLMSSA-N 463.535 1.824 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705523747 XMEJMGMETXGVMT-UHFFFAOYSA-N 477.569 1.488 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1705566264 MRGMITBQNOAIHT-CYBMUJFWSA-N 482.360 1.541 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1705649386 VVYZXYBEAQORAS-RTBURBONSA-N 482.633 1.532 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nccs2)C1 1705661772 ITQUHVFPEOJMEB-HUUCEWRRSA-N 453.615 1.581 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1705663503 KJLNIZSHUBHBMT-GOSISDBHSA-N 454.604 1.662 30 10 JDEE C=CCCCn1c(-c2cccn2C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705815717 HCWKJBQJPUVFQR-UHFFFAOYSA-N 458.592 1.803 30 10 JDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1705829265 LUWXBAYLLQRRRI-DLBZAZTESA-N 457.531 1.893 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(Cl)ccc2C1 1705896859 AMDSCRHHINTVFP-CYBMUJFWSA-N 452.968 1.407 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1705932265 QZPPJQMSSKFQFO-UHFFFAOYSA-N 483.598 1.632 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1c(C)cccc1C 1712454020 GKWXSCQJNBZTSX-GOSISDBHSA-N 474.587 1.802 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(OC)cc1 1722294111 GEAPJXAFEXJXRU-QKLQHJQFSA-N 477.587 1.545 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1722359601 UYUWMRNFAJBAAA-INIZCTEOSA-N 455.650 1.965 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C/C=C/c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722367829 OLIBXUNQUWPUNZ-WOPDUGCTSA-N 474.608 1.520 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1722372405 WDKAEWSOFZQJJN-QZTJIDSGSA-N 490.655 1.238 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1722396177 GDAWHGMSOVJLOU-SFTDATJTSA-N 485.610 1.618 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1722403044 UHWZESNZYXWIEL-PZJWPPBQSA-N 474.631 1.730 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1722432667 BZRISBHBMFXWRM-XMMPIXPASA-N 487.626 1.278 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC2CCCC2)CC1 1722444063 DURDWSKIOVOCGP-QGZVFWFLSA-N 464.636 1.825 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCc2cccc(F)c2)CC1 1722447317 HRGFYWFDWSCSTK-HXUWFJFHSA-N 452.534 1.967 30 10 JDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1CCOCC1 1722477132 CHNZJNMOYYXAPZ-UHFFFAOYSA-N 450.341 1.602 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1722501626 GGXXJMGNYSZCJS-XMSQKQJNSA-N 494.662 1.632 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1Cc1cn(C2COC2)nn1 1722659324 SQRFFFGJVRODIR-UHFFFAOYSA-N 454.510 1.959 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722699590 WKLPTJRSYYXMGF-LJQANCHMSA-N 481.605 1.059 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1722700655 OVTMJOKUKPOQFV-UHFFFAOYSA-N 495.609 1.467 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722706599 UORDDWXQGLYNLJ-QGZVFWFLSA-N 487.948 1.285 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722707608 UOTYNJRNAGVZNF-RTBURBONSA-N 454.531 1.184 30 10 JDEE C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722734266 XWTCESURLHNOAW-INIZCTEOSA-N 491.415 1.774 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)N(C)C)C[C@@H]2C)CC1 1722797863 HEZIYQAVBWFDDY-PGRDOPGGSA-N 478.601 1.284 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCS(C)(=O)=O)c1 1740564243 GCTTYRARGWMFPB-UHFFFAOYSA-N 452.540 1.365 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1cccs1)[C@H]1CCS(=O)(=O)C1 1740619126 MMOUKNQQRIQTEW-LAUBAEHRSA-N 464.613 1.861 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740624582 JUNWTPNFUOSVJV-IBGZPJMESA-N 487.626 1.831 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740625038 CNVWHUZMLXOYAS-OALUTQOASA-N 463.604 1.549 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(NC(N)=O)cc2)CC1 1740688503 GJIONRDHABKULW-UHFFFAOYSA-N 452.563 1.491 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCC(F)(F)F)CC1 1740706250 UXIXJDMJIHHWTJ-HNNXBMFYSA-N 493.577 1.442 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1740750789 UOUITCYXVKAPHJ-WDSOQIARSA-N 472.594 1.972 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)NCC)CC1 1740752532 XUIDYPYAWRXELI-FHWLQOOXSA-N 450.584 1.835 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)OC)C1 1740759198 AWTHYMUTXMSHPJ-OWSLCNJRSA-N 452.577 1.551 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(=O)COC)CC1 1740765447 XJNYTVBAJCQFOJ-KSCDAYEDSA-N 477.606 1.715 30 10 JDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740885530 IVOLPWBOPVYLLE-LJQANCHMSA-N 460.579 1.383 30 10 JDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740886468 IHDKZOKEFLVPPJ-REWPJTCUSA-N 467.618 1.845 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(N(C)C)c1)C1CC1 1740911114 WIEQYWYXIAQJML-HXUWFJFHSA-N 460.604 1.880 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1740947050 OTWGZVBYRBHKOR-WIYYLYMNSA-N 490.630 1.689 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1740956281 JJSCLAYSJGADLI-AWEZNQCLSA-N 487.927 1.572 30 10 JDEE Cc1cc(C(=O)NC2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)N(C)C)CC2)no1 1742091626 FEAKSOYHFAEMBQ-UHFFFAOYSA-N 476.541 1.990 30 10 JDEE C#CCN(c1nnc(CC)n1Cc1ccccc1CN1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 1748817510 LOTSVTPYPQJANA-NRFANRHFSA-N 471.627 1.472 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748822190 ZXWOCILPHWHIRD-IBGZPJMESA-N 463.604 1.234 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1748824928 UCZLDAZKNRKIKB-SNRMKQJTSA-N 463.535 1.211 30 10 JDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC2(CS(C)(=O)=O)CC2)CC1 1748999345 QURSRLRIHMHRPZ-UHFFFAOYSA-N 457.600 1.746 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C)N2CCOCC2)CC1 1749003846 XQPDLBPLXUAYDO-IBGZPJMESA-N 466.586 1.640 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ncccc2C)CC1 1749003860 XYLWLQBYZQEWIT-DEOSSOPVSA-N 452.559 1.648 30 10 JDEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749098814 NWALADUSMYKWNV-UHFFFAOYSA-N 464.368 1.365 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1749575381 QMELLADNFWNBDN-HTAPYJJXSA-N 497.618 1.315 30 10 JDEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(O)CCS(=O)(=O)C1 1749592431 LWOCWUTWNIMZNL-JOCHJYFZSA-N 472.571 1.524 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC(=O)N1CCOCC1 1749650892 JBAVFPQFVXRBCJ-INIZCTEOSA-N 460.510 1.154 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)C1 1749732103 PQKVUFZQHOZUKX-KRWDZBQOSA-N 496.634 1.272 30 10 JDEE CC(=O)N1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)C1 1749816514 DFRVBFYHNJRPKE-LPHOPBHVSA-N 458.588 1.945 30 10 JDEE CC(=O)N1CCCN(c2nnc(Cc3ccccc3C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1749835141 DZDVTHCGZWGQBN-VHXPQNKSSA-N 477.569 1.762 30 10 JDEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)CC1 1749999992 AIXJIEZSAWIOQW-UHFFFAOYSA-N 463.546 1.343 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCc2ccn(C)n2)c1 1760128096 YMPJDQLZQSKWOU-UHFFFAOYSA-N 460.542 1.433 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1760130883 NFURAQQNRMITNP-UONOGXRCSA-N 464.514 1.197 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1760145800 VORCPADBVQONRX-GOSISDBHSA-N 488.614 1.549 30 10 JDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(CS(C)(=O)=O)CC1 1760170422 BYHXHQBNDFEOPO-UHFFFAOYSA-N 450.590 1.132 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1c(C)noc1C 1760233025 HTBZTWJDQDRYBT-YOEHRIQHSA-N 450.565 1.479 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1NC(=O)CC1(C)C 1760241884 NJERYSXKFYKIGG-HKUYNNGSSA-N 473.574 1.874 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cnn(-c3ccccc3)c2)CC1 1760253608 GRXUDVHVUNWCDS-IBGZPJMESA-N 482.614 1.072 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1760267699 WUOWWNRUBIFFBG-UHFFFAOYSA-N 499.063 1.985 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](N2CCCC2)C1 1760440208 DNRHMKGYHIKODX-OALUTQOASA-N 452.625 1.642 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cc(C)oc1C 1760495441 OCCDOKAUJAGMFT-DENIHFKCSA-N 479.603 1.907 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1760552634 VOXUKZMYRFOVHF-QGZVFWFLSA-N 486.602 1.282 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCC(F)(F)F 1760553084 LAARECUWVZBCEG-UHFFFAOYSA-N 470.481 1.910 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1760555085 WGXOEVKTOWOIAL-FGTMMUONSA-N 456.634 1.798 30 10 JDEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760560216 QBGXAFBDJNAVSL-RTBURBONSA-N 454.600 1.886 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCOCC2)[C@@H](C)C1 1760607406 SAWGFJLONNFVBG-IBGZPJMESA-N 451.575 1.986 30 10 JDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 1761261264 AQEJOIVEKJSAQA-UHFFFAOYSA-N 469.590 1.800 30 10 JDEE CC1(C)S[C@@H]2[C@@H](NC(=O)/C(=N/OC3CCCC3)c3csc(N)n3)CC(=O)N2[C@H]1C(=O)O 1772502492 KNTUUEGDGYZCIA-RQRFDRQESA-N 467.573 1.410 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)C(=O)NCCCN2CCOCC2)c(C(=O)OCC)c1C 1860760867 GDFWYLPYZXOEBH-UHFFFAOYSA-N 467.544 1.353 30 10 JDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2C1=O 1870098348 ZVJWVINCJDCFSL-UHFFFAOYSA-N 453.396 1.074 30 10 JDEE C#CCOc1cn(CCc2cnc[nH]2)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1=O 1870560183 KPEKQHXLXKXRRF-UHFFFAOYSA-N 475.549 1.873 30 10 JDEE C=CCN=c1nc(N2CCN(c3ccccn3)CC2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871707242 SLAVQWAGQSXNRA-UHFFFAOYSA-N 463.502 1.695 30 10 JDEE C=CCn1c(C(=O)NCCCn2ccnc2)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873595759 QHQFXXXGGIAGLI-UHFFFAOYSA-N 451.531 1.977 30 10 JDEE CCCN1CCN(c2ccc(N3CCN(S(=O)(=O)c4cccc(C#N)c4)CC3)nn2)CC1 1890633137 LGTXIYYOLQPISM-UHFFFAOYSA-N 455.588 1.391 30 10 JDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)CCCOc3ccccc3)CC2)CC1 1890675571 QFYICYMCVBUYLW-UHFFFAOYSA-N 463.644 1.907 30 10 JDEE N#CCNC(=O)C[S@@](=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990675280 RRKMWTPRLPGFET-KGMZSHBCSA-N 469.519 1.757 30 10 JDEE CCCCCCCCC/C=C/CC/C=C/[C@@H](O)[C@H](N)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2037834365 HWRVJNPAUIAOKZ-RXGWBOTHSA-N 459.624 1.524 30 10 JDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H](O)C1(C)C 2193529710 ZRPCCIGOXOKVAO-RCDICMHDSA-N 462.356 1.769 30 10 JDEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256620434 ISUHKLDTMYXYAR-CQSZACIVSA-N 453.370 1.694 30 10 JDEE CC(C)(C)OC(=O)NC1CN(CC(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2256628804 MWWUIFLEJGTDJK-UHFFFAOYSA-N 451.398 1.872 30 10 JDEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C1COC1 2256641117 YCVISVRXTIXVEW-HNNXBMFYSA-N 453.370 1.598 30 10 JDEE Cc1nn(C)c(C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267508026 YMHNRWPGYZULKB-OAQYLSRUSA-N 452.361 1.033 30 10 JDEE CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267548048 PIUJUEOGCVDKRX-AWEZNQCLSA-N 451.377 1.928 30 10 JDEE C[C@@H]1CC[C@@H]([C@H](NC(=O)OC(C)(C)C)C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)O1 2268713919 DLBYTCXIDPXBIG-AGIUHOORSA-N 468.385 1.659 30 10 JDEE CC1(C)OB(c2cccc(S(=O)(=O)N[C@H](COCc3ccccc3)C(=O)O)c2)OC1(C)C 2269036606 MGZVCVBPEQXTGN-LJQANCHMSA-N 461.345 1.934 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CN(c3cccc(B4OC(C)(C)C(C)(C)O4)n3)CCN2C1=O 2281488243 NANSYALZFXXVNA-HOTGVXAUSA-N 458.368 1.695 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@H]12 2281796787 YCBSAWBGPKTKIR-NXHRZFHOSA-N 459.352 1.745 30 10 JDEE Cc1c(C(=O)N2CC[C@H](NC(=O)C(F)(F)F)C[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281804473 LZJHNDVBAYEIOF-YPMHNXCESA-N 458.290 1.699 30 10 JDEE Cc1c(C(=O)N2CCOC[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281978344 BPOKTYYCINZYOZ-HNNXBMFYSA-N 464.372 1.393 30 10 JDEE C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282349735 CJQPOFMLRYKYJF-YLJYHZDGSA-N 474.436 1.908 30 10 JDEE Cn1cc(C(=O)NC2(CO)CCN(C(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2282557664 YHOJGXSKRKRXJA-UHFFFAOYSA-N 464.372 1.211 30 10 JDEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCO1 2282557774 ZYBJPFVKMBZMJP-GOEBONIOSA-N 464.372 1.474 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](C)[C@H](NC(=O)C(F)(F)F)C1 2282581273 GAFLLUZLHZGJDM-TZMCWYRMSA-N 458.290 1.731 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 2282591699 SXHVABZGJALQSS-JKSUJKDBSA-N 464.372 1.302 30 10 JDEE CN(Cc1ccccc1)[C@]1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCOC1 2282617757 IMMWMZSTSDHVGZ-DEOSSOPVSA-N 454.380 1.740 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCC23CC(CN2C(=O)OC(C)(C)C)C3)n1 2282838720 TYNGDZWMDWWXPA-UHFFFAOYSA-N 482.412 1.397 30 10 JDEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C(=O)C1 2284069335 PJFHFYFBWFVWBE-UHFFFAOYSA-N 460.340 1.399 30 10 JDEE CC(C)(C)OC(=O)NC(CO)(CO)CNC(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2286172821 QFZOKLCVNZRDRE-UHFFFAOYSA-N 484.786 1.617 30 10 JDEE Cn1ncc(C(=O)NCCOC(C)(C)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2295848495 YHLDOBYSDHLWNW-UHFFFAOYSA-N 466.388 1.769 30 10 JDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cc(OC)c(O)c(OC)c1 2330795173 OTXZTDCGQGAPBE-UHFFFAOYSA-N 451.505 1.565 30 10 JDEE O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCC3)NCC#Cc1ccc(N2CCOC2=O)cc1 96349635 VAPOYYYDJLPOAI-QGZVFWFLSA-N 450.520 1.893 30 10 JDEE C[C@@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1c(O)cc3c(c1C2=O)[C@H]1C[C@@H](N(C)C)[C@H](O)[C@@]3(C)O1 257460419 JZGRDBGLULKCDD-WBJSMKGKSA-N 455.463 1.152 30 10 JDEE biogenic Cc1ccc(S(=O)(=O)N2CC#CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CCC2)cc1 616581369 XYCTXUMNSSJWLT-UHFFFAOYSA-N 463.537 1.992 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)CC1 729306210 JHRRBUDDBCPLMM-FQEVSTJZSA-N 455.559 1.409 30 10 JDEE C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1 743431962 ARLFPPXVDSNFJS-UHFFFAOYSA-N 465.554 1.488 30 10 JDEE CC(=NNc1nc(SCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1)c1cccnc1 1083900771 SONDSOXDNAJJRF-UHFFFAOYSA-N 460.545 1.804 30 10 JDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)Cc1ccccc1 1170095505 RWDUJKZKZUFTLT-UHFFFAOYSA-N 453.564 1.858 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1286388030 KVNLOVCRGUSNPM-QRGRWYIGSA-N 474.583 1.510 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1286389734 PMZRWXXBDSGFCH-SJLPKXTDSA-N 470.530 1.968 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1286393945 MKZLBJANYKYHKC-QGZVFWFLSA-N 486.623 1.966 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CC1(SC)CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 1286395681 SUCZPAAREAGXNM-SFHVURJKSA-N 453.678 1.931 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(C)(C)N2CCC(OC)CC2)CC1 1286469956 PLMDBFONYQPKKI-UHFFFAOYSA-N 473.666 1.841 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1286485495 NLGLCSAVHDABHI-FQRUVTKNSA-N 483.661 1.990 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCOCCN(C)C)CC1 1286494044 RAUZOTFXYFTMTG-JOCHJYFZSA-N 482.585 1.335 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1286601147 HLURHIDCNFOVAI-HXUWFJFHSA-N 496.616 1.651 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1286608597 RYEIEECMPNRYBT-FXAWDEMLSA-N 452.581 1.334 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1286816108 IKWUMGKOVCMGOE-UHFFFAOYSA-N 454.512 1.982 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccccc2C)C1 1286818144 UKYMKZYBDCASDU-ROUUACIJSA-N 481.644 1.791 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1286818967 VFVBJQQNAJGKIH-UHFFFAOYSA-N 460.585 1.898 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCN(CC)CC)[C@H]1CCS(=O)(=O)C1 1300492613 NWTMRIUKOKLYQM-KRWDZBQOSA-N 476.603 1.364 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1cnn(CCOC)c1)[C@H]1CCS(=O)(=O)C1 1300498898 NUKRDHYXUIFUDX-FQEVSTJZSA-N 486.573 1.526 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc3c(cc2OC)C[C@@H](C)O3)CC1 1300683457 OBJHUBFDYRMYQU-IAGOWNOFSA-N 488.614 1.024 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCNC(=O)C2CC2)CC1 1300718984 JZSJSMTUTVMYND-UHFFFAOYSA-N 480.569 1.454 30 10 JDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1300769261 DBPWGORGLNWNOW-UHFFFAOYSA-N 488.639 1.955 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1300990375 JWAGNDIDUZUWPN-LQWHRVPQSA-N 453.609 1.973 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1301475471 RZXJXCBKAIILCO-UHFFFAOYSA-N 467.574 1.542 30 10 JDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1301509940 RDHGHCPSQUEMBU-GOSISDBHSA-N 456.572 1.597 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCS2(=O)=O)C1 1314005590 BSWBFCZOZMTRMX-OALUTQOASA-N 492.627 1.302 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(S(C)(=O)=O)CC1 1358877244 ZSUHEVISBVILFH-HNNXBMFYSA-N 465.601 1.231 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cnccc2OC)c1 1358902207 HECDIXILJJTXPD-IBGZPJMESA-N 459.510 1.737 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN1CCN(C)C(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1358962654 UIMBNNYVZLQCEL-PMACEKPBSA-N 478.663 1.172 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CCCn1cnnn1 1358971664 DRZFZLSGFVBIOS-UHFFFAOYSA-N 455.320 1.866 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1358997813 GALMTEHIYZHZII-VHXPQNKSSA-N 469.505 1.718 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCS(=O)(=O)C(C)(C)C)CC1 1359031433 BLDNVNCDNHHJRZ-UHFFFAOYSA-N 460.560 1.822 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1359034339 MIYGXNXPGBITNK-UHFFFAOYSA-N 458.448 1.875 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)COC)CC1 1359047030 OHTRKJREZXRKIC-GOSISDBHSA-N 450.543 1.977 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)N(C)CC)CC1 1359047307 ALYUNXDOFQDUQY-UHFFFAOYSA-N 472.977 1.955 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2nccs2)CC1 1359049575 RYUWVRJNPJQSAB-OAHLLOKOSA-N 469.662 1.428 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1CCOCC1 1359089338 GZXQXZYZOLJCMW-QUCCMNQESA-N 455.563 1.675 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1359098277 ZKZKXVXZLXBJFM-QTEQDKRBSA-N 487.649 1.591 30 10 JDEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1359261746 VCXCSAYTBAZGNX-HXUWFJFHSA-N 465.601 1.318 30 10 JDEE C=CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1359280525 UCRGPMPZRJHGKO-QFIPXVFZSA-N 459.572 1.625 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1359291153 GXKTXQSKLCGQIR-DLBZAZTESA-N 477.610 1.848 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1359294253 OYEOGEJDQORIHM-QGZVFWFLSA-N 485.570 1.726 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCN1CCCO 1507522896 YSQRNAHHGFUREH-QUCCMNQESA-N 474.631 1.500 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCCc2nc(C)no2)c1 1507545836 CDIZFRQYHKIQPS-UHFFFAOYSA-N 464.530 1.797 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1507563294 DTPOTEOQBHKKHS-QYZOEREBSA-N 451.593 1.420 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCOC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1507638454 RAJJXQHKRSOVAS-CEXWTWQISA-N 452.577 1.200 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCC(=O)N(C)C)CC1 1507719934 CHRAWXZTSSOMJY-UHFFFAOYSA-N 454.575 1.974 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)c2ccccc2)CC1 1507728957 CCEPLTIAQBJAMU-TZIWHRDSSA-N 472.615 1.170 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCC(=O)N[C@H](C)CC)CC1 1507737849 GJPPMXWDFRKCPJ-MRXNPFEDSA-N 483.573 1.276 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1507794653 AALYSOPNVLPTSU-YRXWBPOGSA-N 486.660 1.565 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1507835904 QABVAUMARYKXBD-KRWDZBQOSA-N 476.603 1.952 30 10 JDEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1508037840 LLUASLPQOQIYLP-OAHLLOKOSA-N 454.984 1.914 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1508087581 UKJPRSUGKIKHKK-IBGZPJMESA-N 469.565 1.892 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1508088179 XPJJBMGPBJDXKV-IBGZPJMESA-N 456.522 1.138 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1508146299 WLXUKCVVPPDFHN-OALUTQOASA-N 496.630 1.989 30 10 JDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1539044834 JOVHKESPBSRTDK-SFHVURJKSA-N 464.574 1.518 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O)[C@@H]1CCS(=O)(=O)C1 1539211294 GXDCZTBYAGIYHF-AZUAARDMSA-N 499.568 1.957 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCOCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539222607 WVDFWWSSZILXOU-VQTJNVASSA-N 466.604 1.242 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C(F)(F)C12CCC2 1539326079 RIJFNOLGEWPBPY-SJORKVTESA-N 467.542 1.509 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC[C@H]1OC 1539416137 KHNCSKHSHIZLJP-HSALFYBXSA-N 493.605 1.724 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C2CC2)CC1 1539751835 VZHGPYYNPCTNDZ-SFHVURJKSA-N 451.593 1.222 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1OC 1540074183 WIIRMGXFTRVNGQ-QGZVFWFLSA-N 455.968 1.944 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)CN(C)C1=O 1540121564 UBDOZUGODOZRHJ-AOMKIAJQSA-N 471.587 1.431 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1 1541116001 HZFKONKESDEWDH-RHSMWYFYSA-N 452.968 1.909 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCN(c2ncc(I)cn2)CC1 1564675129 LCUVTTRZOKDJDA-UKRRQHHQSA-N 457.316 1.894 30 10 JDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1565156364 IDDYZERHJCMJJE-SFHVURJKSA-N 451.568 1.415 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1587620825 LBRAXYCYGNGTAR-OAHLLOKOSA-N 454.556 1.710 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2c(CC)nn(C)c2OC)c1 1587693641 VBWYKUFHFZJKIE-HXUWFJFHSA-N 490.568 1.638 30 10 JDEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1587847268 HFTLWXHLWRLULI-YLJYHZDGSA-N 478.553 1.839 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588040178 IXOQLEIVKKCBNW-XZOQPEGZSA-N 496.637 1.800 30 10 JDEE C#CCN(c1nnc(CC)n1C[C@@H](c1ccccc1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588058984 GZDYOQFMRSSZNH-RTWAWAEBSA-N 457.600 1.541 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1588069225 JSBTWJXWTJQKCI-FDDCHVKYSA-N 471.583 1.271 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(O)CCN(C)C1 1588595701 YUCTYYRVZNEVGB-NRFANRHFSA-N 478.391 1.869 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCS(C)(=O)=O)CC1 1588908744 VXASPQWZVZZCLR-UHFFFAOYSA-N 489.598 1.363 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1595507053 VGSPLCUXHDILJC-LJQANCHMSA-N 481.601 1.389 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(N3CCN(CC)C3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1595601919 AKAHJTGYKGYHFD-DEOSSOPVSA-N 489.621 1.347 30 10 JDEE COCCN(CCC#N)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)N(C)C 1619912404 CABLESWJWKEMQX-UHFFFAOYSA-N 463.583 1.847 30 10 JDEE CCOC(=O)c1c(NC(=O)CN2CCN(c3ccc(C#N)cc3)CC2)sc(C(N)=O)c1C 1644193558 DPIOAEKWWQHMLQ-UHFFFAOYSA-N 455.540 1.965 30 10 JDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(C)CC1 1651688460 NBSAGGOWBXXSEJ-RTWAWAEBSA-N 456.587 1.795 30 10 JDEE C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1=O 1654599884 FIPLYTUKXKWGOR-FOIQADDNSA-N 458.515 1.844 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)NCc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)CC1 1672648284 PCBMLNXSFDEZTA-DEOSSOPVSA-N 451.527 1.583 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1689824739 WIOPBJHNESVGAG-SCTDSRPQSA-N 464.636 1.859 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1c(F)cccc1F)N(C)C 1689826081 HUSWEFMRZVLPCN-VBQJREDUSA-N 454.547 1.927 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCOc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1689987966 GPPAHPXTPRVUTH-PKOBYXMFSA-N 475.546 1.464 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1689990260 NHOXVZYQSHWSNF-MOPGFXCFSA-N 494.614 1.579 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccccc1F 1690104122 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C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccc(OCC(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1705564492 CLUKWWMKZMPVAC-GOSISDBHSA-N 473.599 1.406 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCC(=O)NCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705566171 ZQNAKIVRBZHFQO-HXUWFJFHSA-N 478.578 1.673 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1705566405 NUCFWNNORMFMRJ-GOSISDBHSA-N 472.546 1.696 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1705568236 JQMABRWUJYNQHJ-NHCUHLMSSA-N 488.610 1.906 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705570936 SVZCQZABSZFMJG-HXUWFJFHSA-N 457.600 1.576 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCO[C@@H]2c2ccccc2)CC1 1705633623 UTSJNLJLDQJWNK-KSEOMHKRSA-N 486.642 1.811 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCCCC2)CC1 1705645149 MHFQWICMTDAGRR-XMMPIXPASA-N 458.607 1.382 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)Nc2ccc(F)cc2)CC1 1705782016 MMYIQKOJDNBXBR-LJQANCHMSA-N 492.577 1.791 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1705891040 WAXNTKNUBUUQER-FUHWJXTLSA-N 466.633 1.742 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1705895010 QQPGMEFQYYKGCU-UHFFFAOYSA-N 471.537 1.387 30 10 JDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1705939828 NNMUSCLIXLCXGS-CVEARBPZSA-N 460.608 1.840 30 10 JDEE CC(=O)N1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)CC1 1705967649 FZVQPLVJXPDYBS-UHFFFAOYSA-N 499.641 1.935 30 10 JDEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1)S(C)(=O)=O 1710140478 AWKBIUQJQAVFSB-UHFFFAOYSA-N 499.641 1.937 30 10 JDEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1712687664 GKFMNXSGHODBBM-HKUYNNGSSA-N 477.612 1.655 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(OCC(N)=O)c1 1722296633 STLTXYXPQDVYMR-SFHVURJKSA-N 474.569 1.822 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1722366686 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C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccccn2)n1CC(=O)NCC(F)F 1726642404 HQPDYDSWUKWIAM-OAHLLOKOSA-N 482.499 1.022 30 10 JDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1740570177 BWBBDDXWNCGRLK-GOSISDBHSA-N 478.578 1.622 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC2(CCCCC2)O1)[C@@H]1CCS(=O)(=O)C1 1740615725 JWLKCYHEXHOPNF-MOPGFXCFSA-N 477.631 1.925 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1740625701 PBQRNTUKVCSKLE-SFHVURJKSA-N 490.655 1.567 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC(F)(F)F)nc1 1740645558 HKPGQVNLPYLOQV-HNNXBMFYSA-N 484.504 1.736 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1nccnc1C 1740652962 UONREZPIJANJGS-UHFFFAOYSA-N 452.522 1.996 30 10 JDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1CN(C(=O)OC(C)(C)C)C1 1740684522 UBQIHOIBNHNISJ-UHFFFAOYSA-N 472.546 1.959 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)Cc1ccccc1 1740774382 RTOLOVMWUYTRDF-HXUWFJFHSA-N 490.630 1.672 30 10 JDEE C=C(Cl)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(OCC(N)=O)CC1 1740808965 FBXDKVFACAFKMZ-UHFFFAOYSA-N 471.949 1.898 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740994813 UDIJTENIKQPJFU-UHFFFAOYSA-N 493.659 1.572 30 10 JDEE CC(=O)N1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)C1 1741030170 FONRLFTULBFAKH-RBUKOAKNSA-N 451.531 1.299 30 10 JDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CCCC2)CCOC1 1746695493 GAHVFRQQLHWCNE-ICSRJNTNSA-N 455.556 1.730 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCSCC2)c1 1748692423 HGRVUBMBRVTHTG-IBGZPJMESA-N 467.599 1.334 30 10 JDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccc(OC)n2)CC1 1748730380 KMHMANPTTBQKDD-ICSRJNTNSA-N 455.563 1.931 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748809394 MHMZDAUHQOJSAI-OAHLLOKOSA-N 455.462 1.250 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1748814227 BGQNITVFRZFDGA-HSALFYBXSA-N 451.637 1.775 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748816208 XVHTWOVJULTXAK-IRXDYDNUSA-N 467.592 1.671 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1748818963 IDVQQRANKYONIC-IBGZPJMESA-N 471.562 1.396 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC(F)F)OCO2 1748962598 LXIGLFVXRRJAAH-CQSZACIVSA-N 498.508 1.645 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1748978580 NKNJMGSVGPAZSE-XMMPIXPASA-N 476.622 1.942 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)NCC(F)F)CC1 1748978601 OADCYQJJBLXINZ-UHFFFAOYSA-N 456.295 1.172 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1748979407 ZPWBXMVKOPJPED-QZTJIDSGSA-N 497.666 1.289 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(CCOC)CCCC2)CC1 1749010122 NVWBFINGJSFFAU-LJQANCHMSA-N 456.591 1.792 30 10 JDEE C=CCCCCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1749408174 FTHRNLNOCMUTDZ-QHCPKHFHSA-N 462.595 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CC(C)(C)OC(=O)NCC(C)(C)OCCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2295848421 XLTWWARXVIIRMZ-UHFFFAOYSA-N 464.372 1.826 30 10 JDEE CCOC(=O)/C=c1\s/c(=C\c2ccc(C#N)cc2)c(=O)n1CC(=O)N[C@H]1CCCC[C@H]1C 9396661 BAERMROPSSGNMG-LBACVMNFSA-N 453.564 1.649 30 10 JDEE C=CCn1cc(C(=O)NCC(OC)OC)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21 20240490 ARBAUVVDLIQUJZ-UHFFFAOYSA-N 477.583 1.957 30 10 JDEE C=CCn1c(C)cc(C(=O)COC(=O)CCCC[C@@H]2[C@H]3NC(=O)N[C@@H]3CS2(=O)=O)c1C 207807514 PYUJLKHWBCULBD-POAQFYNOSA-N 451.545 1.424 30 10 JDEE CN1CCN(C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c2ccccc2)CC1 609050207 WPTQOIFFQYDMSB-QHCPKHFHSA-N 496.637 1.563 30 10 JDEE CC1(C)OB(c2ccnc(NS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)c2)OC1(C)C 707707894 QDKZPSDAQNISQC-UHFFFAOYSA-N 457.317 1.419 30 10 JDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1)[C@H]1CCS(=O)(=O)C1 729332040 JLLYPGIYAKQEID-ZBFHGGJFSA-N 453.358 1.759 30 10 JDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C(N)=O)cc1 729672235 CYQXXXNUTMGBKK-UHFFFAOYSA-N 457.515 1.374 30 10 JDEE O=C(O)CN(C(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1CCS(=O)(=O)C1 757487692 VRSFWOSEGMYAQU-QGZVFWFLSA-N 496.541 1.629 30 10 JDEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)NCc3ccc4c(c3)OCO4)n2N)cc1 1084046528 IGKCZSDZLRMNRK-UHFFFAOYSA-N 483.510 1.362 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnc(Oc3ccccc3C#N)cc2C)CC1 1219368638 QKBAKVJPCYCFDL-UHFFFAOYSA-N 454.512 1.671 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286390443 AWQQSIIGTBRSRX-LJQANCHMSA-N 475.640 1.960 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(COC)c1)[C@H]1CCS(=O)(=O)C1 1286394070 MZYRZLJSHZXTEC-RTWAWAEBSA-N 458.584 1.994 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)CC 1286466768 JVDAWAPRNLBCJI-VGOFRKELSA-N 451.568 1.834 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1286509461 QUHHQWFXFQSNFR-DLBZAZTESA-N 453.634 1.432 30 10 JDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC(=O)N1CCOCC1 1286509554 SVPXMDMZCQZRLE-LJQANCHMSA-N 457.556 1.452 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1286609126 XJZAQCSKCLSUHC-QYZOEREBSA-N 470.640 1.123 30 10 JDEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286619569 SYCVOVUDAGNBGI-OAHLLOKOSA-N 451.959 1.716 30 10 JDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1286769195 WRDKMZYMUGVHME-CJNGLKHVSA-N 451.528 1.614 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCOc1ccc2c(c1)OCO2 1286959055 DHJRRTSKTZTIEE-KBPBESRZSA-N 450.521 1.292 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1300482211 DQAWVXZYGVVPBJ-ZOKDDAQRSA-N 465.557 1.249 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1300601962 MVLOTRFHTCVGDQ-VSZNYVQBSA-N 480.635 1.851 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCOC2)CC1 1300709696 BSRPROXPTZHPMH-FDDCHVKYSA-N 460.579 1.257 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](C)OC)CC1 1300727236 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C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1301594442 CHFJHONJMGKAJA-OAHLLOKOSA-N 450.590 1.858 30 10 JDEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N1CCOCC1 1302512516 DOGCXQCYQPPBSX-RTWAWAEBSA-N 472.615 1.797 30 10 JDEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CCO1 1306447503 AVHBHSIAXKCUQR-GOSISDBHSA-N 460.560 1.379 30 10 JDEE N#Cc1cc(F)c(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1Br 1309153471 HKEFSPFWCCLDDG-UHFFFAOYSA-N 459.341 1.389 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)N1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1358960885 NKTMDLQMDLZWSU-LJQANCHMSA-N 488.658 1.800 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CC(=O)N(C)CC)CC1 1359034347 NEPCLTDWMFSJSR-UHFFFAOYSA-N 476.585 1.469 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1359042399 DXYGQFRNCNJZLZ-OYHNWAKOSA-N 458.950 1.499 30 10 JDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1359053129 CIJLHMSAHDYKSA-GOSISDBHSA-N 461.555 1.715 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1359058312 ZHZCLSAREHDDIQ-BZSNNMDCSA-N 469.633 1.125 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCOC)C(=O)C1 1359106522 GYXZWHONRCDUNI-MMKMLUHNSA-N 463.579 1.278 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1CCN1CCN(C(C)=O)CC1 1359259256 PYITUUURSDXBTJ-UHFFFAOYSA-N 465.602 1.757 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1359303999 HSXJFXFCFWQJAW-UHFFFAOYSA-N 461.567 1.007 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1359332451 YEWLFTCXITUGDM-GOSISDBHSA-N 487.561 1.167 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1359332745 GGJIIHSCHNHKJA-IAGOWNOFSA-N 450.565 1.533 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1359334513 IPDIZWRABPKJCD-UHFFFAOYSA-N 486.646 1.852 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)Cc1ccccc1 1359473739 HBTKKSZOMFGLRV-SBHAEUEKSA-N 489.646 1.727 30 10 JDEE CC(C)(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1359521842 HEEAODRZKDEVMI-AVRDEDQJSA-N 459.572 1.618 30 10 JDEE CCCc1c(NC(=O)N2CCCN(C(=O)CNC(C)=O)CC2)cnn1-c1cccc(C#N)c1 1476433285 HKBYWNHQMIIIET-UHFFFAOYSA-N 451.531 1.899 30 10 JDEE CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1494914929 CPPMMZZMKMYBTR-XTQVGHSUSA-N 490.630 1.916 30 10 JDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cccc(CS(C)(=O)=O)c2)CCOC1 1502681333 GUFJUFBEHISMFM-VXKWHMMOSA-N 477.562 1.965 30 10 JDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2ccco2)CCN1S(C)(=O)=O 1505282292 CWUDOCANGMXUBH-KSFYIVLOSA-N 470.555 1.788 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(CS(C)(=O)=O)CC1 1507540514 ZTGOPJBCRSXDPZ-IRXDYDNUSA-N 481.619 1.869 30 10 JDEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)NC 1507688827 DXIXDBMBWSIBNT-UHFFFAOYSA-N 454.597 1.401 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC2(O)CCN(C(C)C)CC2)CC1 1507731718 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1539042541 HSOSQLLOLYAGQH-UHFFFAOYSA-N 455.526 1.980 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1539207070 ZEUFJQXHTQWBGW-DENIHFKCSA-N 476.603 1.221 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1539225872 ROQDIKNXKUYJBM-PXNSSMCTSA-N 451.618 1.812 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CCCS2(=O)=O)CC1 1539434947 YRZUBXPSQZKLCE-UHFFFAOYSA-N 480.541 1.337 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1539476976 ILSUMLJVKCFTTA-RTBURBONSA-N 466.590 1.200 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1539683522 VDTRHENUAAEBLF-QGZVFWFLSA-N 476.603 1.712 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(NC(=O)c3ccccc3C)CC2)nnc1[C@@]1(OCC)CCOC1 1540876348 OKWURYUCQJQFMT-AREMUKBSSA-N 496.612 1.940 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1540897316 GREUQACVMIGSNQ-LJQANCHMSA-N 466.652 1.527 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1540902688 OKFLTZPERKATET-DLBZAZTESA-N 460.622 1.176 30 10 JDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1547350842 HJVBCCLFMNJCAE-HNNXBMFYSA-N 470.477 1.509 30 10 JDEE C#CCNC(=O)C1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 1559785237 RVVDXIJZESRHHU-LJQANCHMSA-N 451.571 1.817 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCN1S(C)(=O)=O 1587574496 JAURKVUXRWQTST-UKRRQHHQSA-N 469.409 1.928 30 10 JDEE C#CCCCCn1c(N2CCC(N(C)S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1587793522 PHDFRPRMCKEDDC-JOCHJYFZSA-N 467.636 1.982 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(c2ccccc2F)C1 1587988803 BONFIMFURQLWKT-PXNSSMCTSA-N 476.578 1.346 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1588034039 ALLYQBKUUDNRKH-WTPASJBYSA-N 476.624 1.882 30 10 JDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1588035333 RXWLXWQBTXRFIG-OALUTQOASA-N 453.572 1.624 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1588073819 FIWMYBZBOMZJHW-QHCPKHFHSA-N 460.582 1.969 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C(C)C)N1CCOCC1 1588140608 ZHVFOCUEYFQFSS-HSZRJFAPSA-N 476.629 1.882 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1588194516 WUVRJBYVAIDKIT-OFVILXPXSA-N 497.621 1.996 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCC(=O)NC(C)C)CC1 1588930158 OOMMAGGEOQRKOQ-OAQYLSRUSA-N 480.569 1.671 30 10 JDEE C#CCSCCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1589125891 RNXNBOSXWMGPKH-YKSBVNFPSA-N 490.674 1.428 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1589664312 XRYWKVNPODIJMK-VGSWGCGISA-N 499.634 1.539 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1595659200 VEKLNXZYYHLXPL-HXUWFJFHSA-N 481.601 1.489 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](NC(=O)OCC)C1 1595778378 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C=CCOC[C@H](NS(=O)(=O)c1cc(C(=O)OCC)ccc1Br)C(=O)OC 1622074185 VZJZZMAVWZMLSW-ZDUSSCGKSA-N 450.307 1.648 30 10 JDEE C=C(C)Cn1c(SCC(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)nnc1-c1ccco1 1627513321 DMBMYFBPFNRHRP-CQSZACIVSA-N 454.578 1.381 30 10 JDEE N#Cc1cccc(OCc2cccc(C(=O)N3CCN(S(=O)(=O)c4nc[nH]n4)CC3)c2)c1 1638318735 BBBXXHZFJFAOBG-UHFFFAOYSA-N 452.496 1.402 30 10 JDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CNC(=O)c1ccccc1I 1644590591 GQXQRXXBQXLXMI-UHFFFAOYSA-N 456.280 1.825 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1689980729 WOHQGUHKHAFRDK-IAGOWNOFSA-N 475.546 1.486 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1689982622 QWPYEDCWZPXFFF-SFHVURJKSA-N 457.556 1.107 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1689982651 RLCFKZDYBBJVPJ-DYESRHJHSA-N 479.628 1.679 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1689984962 ZDZZVZWMSCSJCC-OFNKIYASSA-N 460.600 1.922 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCC(OC)CC2)CCCC1 1689999856 JWROOXRKXZFCCA-IBGZPJMESA-N 476.647 1.385 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2cnnn2C)CC1 1690117604 OCWKDDMDBAHTAM-UHFFFAOYSA-N 450.547 1.673 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cn3ccsc3n2)CC1 1690138065 QZTKZGRJKIRQHY-MRXNPFEDSA-N 471.587 1.725 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1690175444 XPTDGSKQHYNQBL-ZWKOTPCHSA-N 475.644 1.442 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(C)n2)CC1 1690410989 CHHFEYGTQMOQTJ-FQEVSTJZSA-N 460.604 1.960 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCC2CC2)CC1 1690484969 IFVVWKXBMJATBR-IBGZPJMESA-N 453.609 1.973 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)NCC)c1 1690528061 WNIYGSZVIRPRNV-GOSISDBHSA-N 462.576 1.031 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2csc(COC)n2)C1 1690700613 VIGBEHHTLBWWCI-ZBFHGGJFSA-N 453.590 1.613 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1690712518 XKZYHUAPEQAPAZ-CTNGQTDRSA-N 486.598 1.934 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](C(N)=O)C1 1690719201 ICRNUIVOCKLRMQ-GFCCVEGCSA-N 486.367 1.759 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1690722732 UAPCYCHPCLOVQO-UHFFFAOYSA-N 487.561 1.381 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1690723102 HVQGXOTTZCHWQN-UHFFFAOYSA-N 460.560 1.298 30 10 JDEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1694733633 HGWJWFIWFXNFDQ-QGZVFWFLSA-N 461.567 1.602 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1705558840 JUUNNJNTFQFLAX-RBUKOAKNSA-N 476.647 1.261 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1705567009 SIOOVSLQEJFHAL-DLBZAZTESA-N 450.511 1.930 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CCN1CCCS1(=O)=O 1705579450 WQLBNXCJQPRNMQ-UHFFFAOYSA-N 462.373 1.816 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1705626786 JEYBHZSHVWLRPO-INIZCTEOSA-N 470.555 1.505 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1705642100 GXQFSESWUTTYNU-ROUUACIJSA-N 458.588 1.076 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1 1705701421 GLKJTSWUNVPGKY-LMMKCTJWSA-N 476.578 1.504 30 10 JDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705739821 SFROIBMWDXYFEZ-UHFFFAOYSA-N 482.632 1.334 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1705830908 XTFRSLPQIOFGOS-QYZOEREBSA-N 469.608 1.352 30 10 JDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1705886272 HUVXSKAHJJRPAS-CABCVRRESA-N 454.622 1.990 30 10 JDEE C=CCn1c(-c2cccnc2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1705888936 LORDCQMHTWKQKW-ZACQAIPSSA-N 460.560 1.653 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1705900561 IFVMQFKYLJSYCC-UHFFFAOYSA-N 466.521 1.507 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1705931021 CEJHKNYRDOCMRQ-CVEARBPZSA-N 465.601 1.675 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1705932140 MWFZHMPEVSHZNO-OAQYLSRUSA-N 459.576 1.370 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1705938144 OFUWPOUFYXXPBS-GOSISDBHSA-N 461.588 1.742 30 10 JDEE COc1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)c1 1711930864 BADQJYNVJOOWDT-LJQANCHMSA-N 460.560 1.408 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N2CCOCC2)c1 1722308758 FVMBDEWKJYAESJ-GOSISDBHSA-N 462.558 1.456 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722365699 NOMSSSIDJWTESO-URXFXBBRSA-N 465.579 1.798 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722366148 PYHYSNFRMOLNOE-XAUMDUMWSA-N 450.586 1.097 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC(C)(C)C 1722384234 PHTBRSRTHXWSBR-SFHVURJKSA-N 472.590 1.964 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2ccnn2)CC1 1722490601 BCYYUNNDWDCRDW-UHOSZYNNSA-N 478.623 1.378 30 10 JDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722535881 PNPOEMUIBUQIGG-SFHVURJKSA-N 451.597 1.203 30 10 JDEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722545327 BCBXTKCBERZCFY-UHFFFAOYSA-N 475.937 1.587 30 10 JDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N1CCOCC1 1722631153 FFEILGQUBUNWJF-HOTGVXAUSA-N 454.622 1.646 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(S(C)(=O)=O)CC1 1722696207 FDCOLZGSMNTPON-UHFFFAOYSA-N 483.392 1.091 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1722700482 KQXCGYBASJBPDG-QGZVFWFLSA-N 491.618 1.666 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1722724757 FGUUSSYNYPQOES-HXUWFJFHSA-N 488.614 1.853 30 10 JDEE 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AXZWCXSDZKMFPZ-ZDUSSCGKSA-N 472.347 1.768 30 10 JDEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1589427152 BSNOZPMYHSNQPY-OAHLLOKOSA-N 460.336 1.645 30 10 JDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnn(C)c2)CC1)c1ccccc1 1593781947 CAZUIKRNNXPINL-GOSISDBHSA-N 470.603 1.662 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(O)(C(F)(F)F)CC1 1595537015 LMSJGCKPWWIRFD-UHFFFAOYSA-N 491.474 1.388 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1595551121 MHGZPXXMELBFRZ-HZPDHXFCSA-N 477.591 1.373 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C1 1595674147 NDZVULUMOKSOHK-CADBVGFASA-N 484.667 1.557 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1595838549 XACAGBWBRPBOIU-KRWDZBQOSA-N 467.603 1.810 30 10 JDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1595877809 AZBHBCIRHFJWPK-QGZVFWFLSA-N 456.572 1.816 30 10 JDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1603673544 CKTKXQQBRKFHSZ-JOCHJYFZSA-N 476.578 1.364 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)Cc1ccccc1 1611307323 AZZGDRYCTZIZBM-MJGOQNOKSA-N 489.602 1.008 30 10 JDEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)C1 1618653732 GSGFAECYRJXWJB-UYAOXDASSA-N 467.574 1.412 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1689994413 XVEZSHRFXZEJGI-VQTJNVASSA-N 475.640 1.816 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1689996707 MMQMEFZNGFWFKK-GOSISDBHSA-N 476.002 1.923 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C2CC2)N(C)C)CC1 1690139531 QMVBLDIATBQSAG-QFIPXVFZSA-N 498.653 1.655 30 10 JDEE C#CCSCCn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690187039 YYHLIKODMUNDDN-LEWJYISDSA-N 468.645 1.700 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1690430140 DBNICDLNCUYJSX-LJQANCHMSA-N 474.606 1.629 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](n2cncn2)C1 1690665608 JTRBQWDFCHKNSM-KRWDZBQOSA-N 452.519 1.698 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2cccs2)C1 1690700025 MSLQEGOZGYSFOH-YRNRMSPPSA-N 452.602 1.931 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC(=O)N(C)C)CC1 1690729252 JXQJJSQRZZHVLA-UHFFFAOYSA-N 477.635 1.435 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCSC1 1692537954 DJNMJMQTGHUXDN-QHCPKHFHSA-N 469.615 1.478 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nnnn1CC1CC1 1705475600 TYRZYEWDCMQZQF-CQSZACIVSA-N 453.938 1.764 30 10 JDEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705512134 RQNMSRSYZJXUDD-UHFFFAOYSA-N 478.597 1.818 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705559232 VEFWWCUJOLIGBA-LJQANCHMSA-N 462.620 1.017 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705562753 JFMRPPXLTVOOHQ-OFNKIYASSA-N 496.637 1.944 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(C(=O)NCC)cc1)[C@H]1CCS(=O)(=O)C1 1705567513 YGHYPIXVEYLYHX-IBGZPJMESA-N 479.566 1.160 30 10 JDEE C=C(C)COCCn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705740502 NKDBFFQZAYCSDQ-JOCHJYFZSA-N 450.584 1.763 30 10 JDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1705805176 AVBGEXGTTHKDOH-MSOLQXFVSA-N 473.665 1.644 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C3CCN(C(C)C)CC3)CC2)nnc1[C@]1(OCC)CCOC1 1705909281 SBNRXTRLJFGSPG-VWLOTQADSA-N 489.665 1.227 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1705931154 HPIJDSKYAUXAMU-ZBFHGGJFSA-N 497.419 1.884 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1705938027 LCXRHIPIVRBXHZ-INIZCTEOSA-N 480.616 1.344 30 10 JDEE Cc1nccn1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1707789888 GOIXGGGYBAXJPE-UHFFFAOYSA-N 468.587 1.882 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccco1)N1CCCCC1 1722294083 GAGHATLJKBHWIR-QKNQBKEWSA-N 490.630 1.889 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722359498 NJXCQUTWCRXQSO-UGKGYDQZSA-N 482.610 1.412 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1c(CC)nn(C)c1OC)[C@H]1CCS(=O)(=O)C1 1722359953 BNXPGQQKJSXQLG-HNNXBMFYSA-N 457.560 1.253 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1722362879 CTSCPQYVIRXDCG-JXFKEZNVSA-N 450.586 1.667 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1722367949 YHIZNKGTLMLHKC-HOIFWPIMSA-N 478.546 1.335 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1Cc1cc(OC)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722372100 PEAGGWMSPPIREO-GOSISDBHSA-N 474.583 1.931 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1722372985 HNZOJPJAIGULHJ-OAHLLOKOSA-N 452.544 1.103 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)C 1722384018 MAXRZVWVUFLOEV-GOSISDBHSA-N 458.563 1.432 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)c1ccccc1 1722427334 TUESQFJGHJISAZ-HXUWFJFHSA-N 459.572 1.410 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccc(F)c(Cl)c2)CC1 1722437090 JQVOCCHXOMVBPB-INIZCTEOSA-N 481.981 1.807 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1722452068 ASKUFZAPQIGGAG-TUFLPTIASA-N 475.590 1.019 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1722498660 CIURIFZIEVGRMU-MDPIYQRISA-N 468.620 1.925 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722519483 HWKZFYRPLCNTNM-UHFFFAOYSA-N 487.586 1.292 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722696100 BCFKGZOHUPWMSV-IBGZPJMESA-N 471.993 1.644 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722696356 JXPWTITXVGTKJW-RXVVDRJESA-N 481.601 1.245 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1722701310 MJGAEOAPZZHMEK-IBGZPJMESA-N 471.569 1.742 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1740589694 AHOGRIFNUAYFDF-PMACEKPBSA-N 476.647 1.117 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740621877 PRUYUWCMUACRNY-CTNGQTDRSA-N 473.647 1.817 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1740622885 KGTMJWFRVPPDOM-MSOLQXFVSA-N 477.612 1.243 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1740623135 OYIQSNHYLQSAGA-MSOLQXFVSA-N 472.571 1.086 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CC1CCN(C(=O)OC)CC1)[C@@H]1CCS(=O)(=O)C1 1740626169 SUZHYDDETCCCPT-HXUWFJFHSA-N 486.598 1.369 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CC1(S(C)(=O)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740626219 VVBDNVVLZVWGTH-QGZVFWFLSA-N 454.618 1.215 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C(F)(F)F 1740640416 MUICTDCDUPWAAA-INIZCTEOSA-N 487.529 1.812 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C)nc(N2CCCC2)c1 1740645246 BZKJTGWVMPJHSH-IBGZPJMESA-N 469.615 1.703 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CCS(=O)(=O)CC1 1740646503 BEJGCTNAEGUGEW-UHFFFAOYSA-N 480.388 1.438 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC(=O)N(C)C)CC1 1740703366 PMOCMQMZBGCMBL-UHFFFAOYSA-N 491.365 1.901 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](OCCOC)C1 1740715608 KTCMWBBEDHEYJM-QGZVFWFLSA-N 468.583 1.800 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1740726777 NTYCRBNQUQXNOA-XMSQKQJNSA-N 491.639 1.765 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1740734520 HJUWAJITRVFOIR-FGZHOGPDSA-N 460.556 1.407 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1740786586 IZFAEWFCOWXNMO-HSZRJFAPSA-N 455.563 1.819 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC1 1740923834 WVBLRGOKSVQCBG-AEFFLSMTSA-N 467.617 1.902 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1740955300 PEBVMRJTAIVBMU-QFIPXVFZSA-N 456.503 1.295 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1740955558 XTUBQQJVLRSVNC-DEOSSOPVSA-N 468.558 1.902 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2cccc(OC)c2)CC1 1740959928 HJXMTFWBZPGMEN-IBGZPJMESA-N 473.599 1.875 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1740989075 ZJQXZYZBOMKDPE-HTAPYJJXSA-N 462.572 1.939 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO1 1747706284 AOUXPCAWJCRULS-RBUKOAKNSA-N 460.560 1.298 30 10 JDEE COc1ccc(Br)c(-c2nnc(N(C)C[C@@H](C)C#N)n2CCNS(C)(=O)=O)c1 1748584110 BAAHOLXFMMREOX-LBPRGKRZSA-N 471.381 1.861 30 10 JDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1748812402 VFCNCKGEOKXHHG-NRFANRHFSA-N 481.582 1.284 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748818692 DTZDJYZVGYJWOV-GOSISDBHSA-N 450.634 1.601 30 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MFRCLWCIOYHEST-GOSISDBHSA-N 471.558 1.942 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)N2CCC(C)CC2)C1 1286808692 DRMOQLZUZMIMNZ-HBMCJLEFSA-N 496.678 1.513 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C(N)=O)C1 1286814751 GAEYKHKPRPZQKV-LBPRGKRZSA-N 471.381 1.338 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCOC[C@H]1C 1286815048 KCOOKGMOXYGQKD-OAHLLOKOSA-N 466.560 1.797 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1286815245 PKJCYFHFZBINQZ-OAHLLOKOSA-N 497.419 1.838 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cn2cccn2)cc1 1286958738 BHERVDKOCQSENY-IAGOWNOFSA-N 456.576 1.777 30 10 JDEE C=CCOC[C@H](NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)cc(C)c1O)C(=O)OC 1297030319 UZKZAWJFPAYKAA-IBGZPJMESA-N 452.463 1.971 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCN2CCOC[C@H]2C)c1 1300332706 LIUHERONDBOCKJ-YLJYHZDGSA-N 465.558 1.006 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1300384794 VSCKRRLVZDBWMP-FPOVZHCZSA-N 499.641 1.229 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300487170 HGBWWCYQVXVKPK-QZTJIDSGSA-N 457.560 1.201 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OC)cc1F)[C@H]1CCS(=O)(=O)C1 1300492231 MBSWCYVLCZFJKJ-KRWDZBQOSA-N 458.519 1.501 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1300496280 PHCWMROUNDXGCR-JKSUJKDBSA-N 468.626 1.225 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc3c(cc2OC)C[C@@H](C)O3)CC1 1300683461 OBJHUBFDYRMYQU-SJORKVTESA-N 488.614 1.024 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2([S@](C)=O)CC2)CC1 1300685159 IERNSKKCQACVFC-NDEPHWFRSA-N 465.421 1.712 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCN(CCN(C)C)CC2)CC1 1300706942 AGDHFUMCPREVIJ-UHFFFAOYSA-N 490.656 1.758 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(N(C)C)nc2)CC1 1300726216 IXZQSCIULKVYJO-UHFFFAOYSA-N 458.570 1.739 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(S(C)(=O)=O)CC1 1300894503 DGIANGSGQBVCPW-FYQPLNBISA-N 483.635 1.455 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCOCC1(C)C 1300915355 NRWFCMVVSBQOOA-GOSISDBHSA-N 470.640 1.124 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1301136936 IIXPQDYTKVPMRX-SJORKVTESA-N 488.680 1.495 30 10 JDEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1301438222 NSBQSYKBNYZMQV-UHFFFAOYSA-N 493.391 1.422 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1301499728 DWJVTESQWPKGGM-RTBURBONSA-N 480.635 1.653 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1301519573 PMAANUCIVWYQRB-SJORKVTESA-N 470.530 1.493 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)[C@@H]1C 1301611815 RUWIGQFYYXXHKO-JYJNAYRXSA-N 461.679 1.860 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2c(CC)nn(C)c2OC)CC1 1359030620 ZPTFNRRTOZWKIA-XMMPIXPASA-N 471.606 1.427 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[C@H](O)C2)CC1 1359046754 DZSMCEXSJQKBKE-HKUYNNGSSA-N 484.626 1.787 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CCCNS(C)(=O)=O 1359066153 PKKLVPZGOMSEKF-GOSISDBHSA-N 469.409 1.978 30 10 JDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1359214905 OVRAVLKSNPPNEV-GOSISDBHSA-N 462.551 1.845 30 10 JDEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)C(C)(C)C 1360283819 COSPEDGTDNSSKU-UHFFFAOYSA-N 476.603 1.903 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N(CCNC(=O)OC(C)(C)C)CCc2ccccc2)C1=O 1449410978 UGIXQDFUJGTWIP-UHFFFAOYSA-N 458.515 1.559 30 10 JDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 1463841189 BKJHTWNNNJNYDV-RDJZCZTQSA-N 456.524 1.773 30 10 JDEE C[C@@H]1OCC[C@]1(O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1494134951 BUEBFZLKGYPBCQ-DGGJZMOXSA-N 454.579 1.783 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)(C)C)CC1 1502426567 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C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC[C@@H]1NC(=O)NC1=O 1507670696 AKOLMWJVTQSKBB-ROUUACIJSA-N 499.572 1.038 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1507724001 CPICKRLRBYVRIZ-GOSISDBHSA-N 460.579 1.045 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1507740576 VHBOFGMBMGGKAV-QGZVFWFLSA-N 490.655 1.424 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C(=O)NC 1507752029 UGWNWZBNPMRENY-IRXDYDNUSA-N 480.635 1.771 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1508071941 ADAQVNMRGHWEPF-KRWDZBQOSA-N 472.981 1.878 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1508089109 ALIIGDNIMAYERU-LJQANCHMSA-N 464.578 1.337 30 10 JDEE COc1cc(C)nc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NCC(F)F)CC2)n1 1517949168 ATJHHAQRFXSUIM-UHFFFAOYSA-N 497.510 1.632 30 10 JDEE C#CCOc1ccccc1CNC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 1538240956 DIIJIVNEVHCQTJ-UHFFFAOYSA-N 455.536 1.481 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539203273 OSONBGLILJUPEN-QZTJIDSGSA-N 467.636 1.884 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1CCN(CCN(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1539220853 VRDCGPPHEPIVCK-NRFANRHFSA-N 478.707 1.767 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539224351 FWJKUXJZZWCIPW-FQEVSTJZSA-N 470.599 1.293 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCCN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1539226063 UDHAZBILFZTKTP-NRFANRHFSA-N 499.637 1.907 30 10 JDEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1539599606 AHIMLUYOIGJPBX-UHFFFAOYSA-N 455.382 1.644 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1540858313 QHFWAGWXTRICNK-SFHVURJKSA-N 491.593 1.347 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1540872696 XUCZAXJKWCOGGD-UHFFFAOYSA-N 455.538 1.694 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1540898939 ZCMNEPIZGMTIHT-QHCPKHFHSA-N 475.615 1.856 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)COC)CC1 1540899443 PAJCGNXBENNJTE-UHFFFAOYSA-N 461.588 1.403 30 10 JDEE Cc1cc(C(=O)NC2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)c(C)o1 1546253985 AHCVHHWSLHZARD-HNNXBMFYSA-N 458.540 1.856 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N(C)C2CC2)CC1 1547764079 FGICGRXETVDWFX-SFHVURJKSA-N 450.591 1.558 30 10 JDEE N#Cc1ccc(N2CCC3(CC2)C[C@H](C(N)=O)N(C(=O)CCN2CCOCC2)C3)cc1C(F)(F)F 1548379839 IYHNCLRFRJXFOD-HXUWFJFHSA-N 493.530 1.972 30 10 JDEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCc2ccc(C(=O)NO)cc2)cc1 1556382080 SZVSGKKKCSBXDQ-FQEVSTJZSA-N 459.524 1.868 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2Cc2ncn(C)n2)c1 1587697547 SGRFEFZMRIGTQC-UHFFFAOYSA-N 489.565 1.503 30 10 JDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1587758512 AZNHDONBCNJQTA-KURKYZTESA-N 488.589 1.783 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCN(C)C1 1588133440 GJUPRQOELWBWCF-DEOSSOPVSA-N 456.591 1.532 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCOCC1 1588138427 CKPPDSUBJJJBPD-WOJBJXKFSA-N 472.590 1.380 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)c1cccc(O)c1 1588229314 TWJFNHXSEKRMMH-LJQANCHMSA-N 469.567 1.169 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@](C)(CC)O1 1589215736 DDEOJPFOSOYTDN-OSZJIOELSA-N 465.620 1.951 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1595506907 QBAWOHRGWDDVDB-QFIPXVFZSA-N 475.571 1.280 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1595577334 PTFCMQCEVNRORH-UHFFFAOYSA-N 452.559 1.883 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1595823316 NCBQEIKBHLBFDN-QGZVFWFLSA-N 483.978 1.063 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCC(F)(F)F 1596813174 GIOMHOLIYNHDSI-LBPRGKRZSA-N 472.497 1.513 30 10 JDEE Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1627941539 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C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CCOC[C@H]2C)CC1 1690115168 VTJUKJGJXNBGRL-LJQANCHMSA-N 454.575 1.438 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCCN2CCCO)CC1 1690134672 AOQTZXMHIVRRDM-YPAWHYETSA-N 458.651 1.799 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1690264819 DRWHPWRYJZZXSP-QGZVFWFLSA-N 478.619 1.837 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1690659234 NHYWIDXRJWPLKW-UHFFFAOYSA-N 468.562 1.311 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1690673864 HTANADLMGKKEKQ-OAQYLSRUSA-N 456.576 1.422 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2noc3c2CCCC3)C1 1690686310 LWWPPZHNXNAEBE-LSDHHAIUSA-N 450.565 1.585 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 1690696484 CSBFLMRUDFUFHS-IKGGRYGDSA-N 472.512 1.664 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1690726601 GBPMBQIRSRSDFA-FQEVSTJZSA-N 451.637 1.770 30 10 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C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccc(C)cc1 1705628676 MSARLVLJOGRFHY-PZJWPPBQSA-N 475.615 1.809 30 10 JDEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1705652371 WYVOZHQHULFXAZ-ZWKOTPCHSA-N 455.650 1.789 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC2CCCC2)CC1 1705662130 QTNCPKDYMSQDGK-HXUWFJFHSA-N 497.687 1.905 30 10 JDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCCS1(=O)=O 1705846915 XYOWSPQCTLGCQO-UHFFFAOYSA-N 473.647 1.301 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)c2ccccc2)CC1 1705907127 ANRRFQOUYPLOJE-UHFFFAOYSA-N 450.543 1.802 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1705938016 KYZXLVNGHBEFJH-MJGOQNOKSA-N 486.554 1.264 30 10 JDEE C[C@@H](N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1)C(F)(F)F 1706841556 BTDSZNDPAYUXLG-CQSZACIVSA-N 471.509 1.439 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1722332378 JRDHLHQUZKACOA-HXUWFJFHSA-N 476.647 1.118 30 10 JDEE 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471.606 1.852 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1ccccc1CC 1722523432 TWSGYMQIWCRBTL-LJQANCHMSA-N 476.603 1.824 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COCc2ccccc2)C1 1722686128 VDNVEDXTGZVHFC-WOJBJXKFSA-N 461.588 1.840 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCO[C@@H](C)C1 1722729066 WLCAOKPSAHCOER-SFHVURJKSA-N 475.619 1.668 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC(C(=O)OC)CC1 1722731053 CBNQHMDUYXPXGS-UHFFFAOYSA-N 466.535 1.986 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1722739580 GGSDTHGKNQDLCB-OALUTQOASA-N 475.663 1.671 30 10 JDEE C[C@@H](CN1CCOCC1)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H](C)C#N 1722861655 AOARRUIGAPDNFO-ROUUACIJSA-N 460.604 1.913 30 10 JDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1730788331 FMNIHHVUJRWPFZ-QHCPKHFHSA-N 467.618 1.942 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCN(CC)CC1 1740547029 NCVMOQKVFPFGIS-LJQANCHMSA-N 472.663 1.724 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1740567516 SJJKELQMVUWQGN-RTBURBONSA-N 463.608 1.411 30 10 JDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740581043 NTGWLCADUYAFFK-GOSISDBHSA-N 483.960 1.748 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(CC)s1)[C@H]1CCS(=O)(=O)C1 1740615438 DUJCKQYSVOELNM-INIZCTEOSA-N 461.613 1.813 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1740629460 NXUNVMCBNMJQEQ-BXWFABGCSA-N 459.528 1.142 30 10 JDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1sccc1Br 1740679635 FIEZRGRNMJJKNB-LBPRGKRZSA-N 476.422 1.847 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2Cc2nncn2C)CC1 1740692791 NNWNIJPBVYGRII-UHFFFAOYSA-N 471.363 1.648 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)c2ccsc2)CC1 1740698289 CVDATOHQWXMSHQ-JOCHJYFZSA-N 470.624 1.994 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOC2=O)cc1 1740725994 XCMMQLQBKFFWRD-KSFYIVLOSA-N 472.571 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C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760117882 VLLBYQNYWJHUJS-KSZLIROESA-N 496.634 1.326 30 10 JDEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1760190611 XVPOESZNDARFDB-ROUUACIJSA-N 497.625 1.252 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2Cc2cnnn2C)CC1 1760267623 SYLMXDCEPHPCDV-UHFFFAOYSA-N 492.584 1.885 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1760333290 CPYMWQDYYKNEPS-SIKLNZKXSA-N 468.606 1.707 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2noc(CC)n2)CC1 1760402796 UVJJIOOSZUEOOP-MRXNPFEDSA-N 465.580 1.202 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC2CCOCC2)CC1 1760517127 DGERGUNUFPZHJZ-UHFFFAOYSA-N 454.575 1.805 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(S(C)(=O)=O)CC1 1760552832 BWDDJHZYXHHPNC-UHFFFAOYSA-N 496.611 1.331 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1760555623 JECVWXXPRBRHKY-NRFANRHFSA-N 487.626 1.583 30 10 JDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1764684201 CWEZULZBIZKOBY-UHFFFAOYSA-N 464.574 1.039 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(c2ccncc2)CC1 1769844980 FSWWGEROJYBSRI-FQEVSTJZSA-N 452.563 1.907 30 10 JDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1858964492 JWCJAXZGGCXFEE-UHFFFAOYSA-N 462.396 1.481 30 10 JDEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccc2c(c1)OCCO2 1874433709 UGVAYSVMKDUOKO-LSFURLLWSA-N 473.540 1.755 30 10 JDEE CN1CCN(CC#CCOC2CCN(C(=O)OC3CN(C(=O)OC(C)(C)C)C3)CC2)CC1 1891234562 XTXZPDNAMWZMLN-UHFFFAOYSA-N 450.580 1.474 30 10 JDEE CC(C)N1C(=O)CS[C@@H](C(=O)N(C)C2CN(c3nccnc3C#N)C2)[C@H]1c1ccc(C#N)cc1 1891281785 DWDCOEOVTITKCY-FGZHOGPDSA-N 475.578 1.961 30 10 JDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2255748831 JMYXOAUPKLGSBW-QWHCGFSZSA-N 458.390 1.299 30 10 JDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255748976 LTTSIMMHOCPCST-STQMWFEESA-N 458.390 1.299 30 10 JDEE CC(C)(C)OC(=O)NCC1(O)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2255948457 MNDXZPOGZQXPEL-UHFFFAOYSA-N 474.410 1.307 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267376523 XHSPAVAQSHBTRT-HOTGVXAUSA-N 468.381 1.556 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C 2267517687 WYNZCRPEDYCCQT-UHFFFAOYSA-N 458.315 1.918 30 10 JDEE CC(C)(C)OC(=O)N1CC=C[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267704626 QXMDMLQOWDIRMC-MRXNPFEDSA-N 465.381 1.835 30 10 JDEE Cc1nn(C)c(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)C[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2281987262 YSEAIAOPLLPOML-DGCLKSJQSA-N 458.290 1.699 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H](NC(=O)OC(C)(C)C)C(F)(F)F 2282343780 RIOYZOVLORUODM-NSHDSACASA-N 498.333 1.453 30 10 JDEE CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282497014 KNERXYIGQYEDBC-UHFFFAOYSA-N 471.392 1.785 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@H]2[C@H]1CO 2282519818 MPLKVWFOXYBZBK-RRFJBIMHSA-N 479.408 1.742 30 10 JDEE CCn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)nc1B1OC(C)(C)C(C)(C)O1 2282530610 WSGMSPJXZZAVKA-HOCLYGCPSA-N 464.372 1.302 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C2CC2)n1 2282658782 BJOBERKLAPNEAN-HOCLYGCPSA-N 461.372 1.632 30 10 JDEE CN(C[C@H](O)CN(C)S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2282863822 XAGZZQHAOVLMJO-KRWDZBQOSA-N 484.424 1.834 30 10 JDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2284365043 ZHKIAHGDKSZMEX-JOCHJYFZSA-N 467.347 1.612 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 2285201990 HLRHPCWLCHRAQJ-DLBZAZTESA-N 461.368 1.789 30 10 JDEE Cc1nn(C)c(C(=O)N(CCNC(=O)OC(C)(C)C)C[C@H](C)O)c1B1OC(C)(C)C(C)(C)O1 2285396893 AIUHSMZKOZKXBJ-AWEZNQCLSA-N 466.388 1.375 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2335454989 KIHLZLSEFXFIOG-INIZCTEOSA-N 468.381 1.862 30 10 JDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362355211 ZCBJCASHRDKCIS-HNNXBMFYSA-N 463.388 1.000 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@]1(C)CO 2362460218 IFAPPTXGBVOTGI-QFIPXVFZSA-N 464.372 1.163 30 10 JDEE O=C(CCSc1n[nH]c(N/N=C/c2cccc(O)c2)n1)Nc1ccc2c(c1)C(=O)NC2=O 20906726 WVSPWCCHKQQGLO-UFFVCSGVSA-N 451.468 1.961 30 10 JDEE C=CCN1C(=O)N[C@H](c2ccccc2Cl)C2=C1CN(CC(=O)N1CCN(C(C)=O)CC1)C2=O 35965374 XCMYUKFQBIUTFV-OAQYLSRUSA-N 471.945 1.379 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(OCC)cc3)cc2)CC1 514985560 YSJJQRGVDMCFMM-UHFFFAOYSA-N 486.594 1.946 30 10 JDEE COCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc2ccccc2c1 729669894 VHGIMONDVPUBGX-UHFFFAOYSA-N 495.564 1.966 30 10 JDEE N#Cc1cn(CCC(=O)NC[C@H](CO)Cc2cc(Br)ccc2F)c(=O)nc1O 1140969054 HPEOHAXQCRBSKH-LLVKDONJSA-N 453.268 1.080 30 10 JDEE C#CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2NCCOC)CC1 1153262451 LXHDCHOHLUHOIW-UHFFFAOYSA-N 451.589 1.766 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C2CC2)C1=O 1286376541 LQNONZKYTHSTCO-SBUREZEXSA-N 458.563 1.667 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1286387652 HRGOSSPYPCSAIJ-MBSDFSHPSA-N 474.583 1.750 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CC[C@@H](O)C1 1286415105 JUYZMGKELHBHQK-VXNXHJTFSA-N 463.582 1.690 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC2(C(N)=O)CCCC2)CC1 1286492895 BLCWWOMUKDENFU-UHFFFAOYSA-N 454.600 1.942 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1286496346 QXAHFZIZLHBHEE-QGZVFWFLSA-N 493.597 1.689 30 10 JDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)N1CCSCC1 1286723649 WDHDDPRUSGHEEL-UHFFFAOYSA-N 475.600 1.595 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1N1CCOCC1 1286773243 LQOIZRVOOCFMLW-HXUWFJFHSA-N 475.615 1.704 30 10 JDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)CC2CC2)cc1 1300125274 DJPSRBPOTQQDPB-HXUWFJFHSA-N 459.572 1.625 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 1300478854 DHKFFIVZZXZKNB-GOSISDBHSA-N 490.655 1.988 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1300499894 ZJJZNAKBFOTCIL-CEXWTWQISA-N 462.547 1.175 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1300505118 XWYNDBVUECXJPP-NTKDMRAZSA-N 485.610 1.525 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1300505450 AFGSECVGXWJVCE-RTBURBONSA-N 457.556 1.164 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccn2)CCC1 1300538981 WHMWBZSGJNIWBD-LJQANCHMSA-N 468.583 1.201 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1300685612 QXJKYUBVDKPDFT-DEOSSOPVSA-N 487.626 1.332 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1300733812 NWTOPFDFSPPMOA-INIZCTEOSA-N 493.615 1.490 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300886281 WXAIAWQONMPPOS-OKYOBFRVSA-N 453.609 1.971 30 10 JDEE C=C(C)COCCn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1301001420 IJDCMCWNUQKBJJ-RXVVDRJESA-N 471.624 1.382 30 10 JDEE C=CCNC(=O)Cn1c(N2CC(C)(C)O[C@]3(CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1301519112 MNKZDOJHFFDJGS-PKTZIBPZSA-N 463.579 1.395 30 10 JDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cc1 1310555764 CBDBXZLERHJKOW-OXQOHEQNSA-N 455.540 1.748 30 10 JDEE COCCN(CCC#N)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCS(=O)(=O)C1 1316101185 DSJHDFFZTXCQOH-SFHVURJKSA-N 471.587 1.708 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@]1(C)CCO[C@@H]1C1CC1)[C@@H]1CCS(=O)(=O)C1 1358955975 XXSPZKAKONEDBG-HMFYCAOWSA-N 463.604 1.248 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1358959874 RGLXZSSMCJVILU-QZTJIDSGSA-N 460.556 1.768 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCn2ccnc2C)CC1 1359029020 MBZUDBCFCULEFV-UHFFFAOYSA-N 466.977 1.822 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(OC)nc2)CC1 1359041701 FRRIQJAOJKYUGT-VWLOTQADSA-N 482.585 1.736 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(F)c1 1359070802 VNJZOMZDBXSAST-SIKLNZKXSA-N 477.562 1.821 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCOC1 1359255100 OAOYGVQWCXPDLS-AVRDEDQJSA-N 462.572 1.533 30 10 JDEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1359278809 HTWMIRKOGRNVSK-SFHVURJKSA-N 488.408 1.235 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1cccc(Cl)c1 1359287831 YMRBEOVRLNVDCJ-KRWDZBQOSA-N 455.968 1.966 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1359291354 NEKZMSBILRSVAU-LJQANCHMSA-N 481.601 1.708 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCOC(C)(C)[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1359335393 KMJOPSNQGALPLB-UTKZUKDTSA-N 456.609 1.923 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCN(c2ccncc2)CC1 1359473480 CUHORCWNZBFGBQ-VQTJNVASSA-N 486.646 1.383 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1507545361 CZCZIIBGYLSVBB-LDQXTDLNSA-N 466.586 1.918 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1507623156 PBPHKAMNJVRWEU-IXDOHACOSA-N 499.684 1.455 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1507623521 YGRSEUBABIFWTG-SFHVURJKSA-N 487.582 1.206 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C)CN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1507630631 DOVSVHGCSRPHLQ-IRLDBZIGSA-N 499.685 1.549 30 10 JDEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1507630906 JLWMVYUGYSHJQA-CQSZACIVSA-N 476.509 1.434 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507741421 SFOSEUUPQIKEPZ-FPOVZHCZSA-N 487.674 1.259 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H](c2ccccc2)N2CCOCC2)CC1 1507742606 METHSADJKQHDHG-JOCHJYFZSA-N 450.587 1.880 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC(=O)N(CCOC)C1 1507761234 HXFBNDNIZPTZKI-UZUQRXQVSA-N 451.531 1.412 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1507837045 HHDRITDGZCNJQA-IIBYNOLFSA-N 467.567 1.718 30 10 JDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@@H]1CC 1507843137 IPVAKBGFTYEKPN-SFHVURJKSA-N 451.531 1.500 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCc2ccccc2C1 1507983182 PJIUPXXHYGVYKD-FQEVSTJZSA-N 460.604 1.292 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCOC1 1508033979 RLWTYRPFTZJGGQ-QUCCMNQESA-N 479.603 1.866 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1508081309 JFXPQBNPAZBOSQ-UHFFFAOYSA-N 471.993 1.645 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(C)=O)CC1 1508132444 YOSWOTNQWWCOAS-INIZCTEOSA-N 465.551 1.827 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 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Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1556383111 HCNOCKOHAXZDGN-QRWLVFNGSA-N 456.524 1.782 30 10 JDEE C#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 1564787095 FYGKIZJAPZRQMQ-UHFFFAOYSA-N 454.508 1.215 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1588035302 RETWFZGCARJHAJ-INIZCTEOSA-N 458.569 1.789 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCS(=O)(=O)CC=C)[C@H]1CCS(=O)(=O)C1 1588040576 OQBNQPQLMJZFHD-SFHVURJKSA-N 478.596 1.181 30 10 JDEE C#CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1588059228 KBJRGBFMYMVSGZ-MSOLQXFVSA-N 497.618 1.250 30 10 JDEE C#CCN(c1nnc(COCC)n1CC1(N2CCCC2)CCOCC1)[C@H]1CCS(=O)(=O)C1 1588074840 SWPJWLATBCHZML-IBGZPJMESA-N 465.620 1.086 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1c(OC)cc(OC)cc1OC 1588229565 YDLCOIIFRHAMLC-GOSISDBHSA-N 486.594 1.912 30 10 JDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1589005903 AHCUFFFCSSPFGP-UHFFFAOYSA-N 497.581 1.491 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)cc(F)cc2C1 1589068382 BAJVTKBDUAOFHG-LJQANCHMSA-N 497.593 1.818 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2N(C)C)C1 1589494431 LCSTZJBUXMEKOZ-QRFRQXIXSA-N 489.646 1.893 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1589731195 BRAWSGJUFOWNMN-UHFFFAOYSA-N 487.630 1.172 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)N2CCCCC2)CC1 1594097000 KWFPLZYURSASFD-SFHVURJKSA-N 466.608 1.170 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1595405477 QEGOXXUBOVPNGQ-QGZVFWFLSA-N 470.596 1.102 30 10 JDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1595434804 UDADMJARIOMZEX-UHFFFAOYSA-N 470.559 1.513 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1595551846 WOGWWBULFADSMT-FQEVSTJZSA-N 472.615 1.113 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1595603065 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C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1689893231 WKYZFZKVFPUGDI-QZTJIDSGSA-N 473.578 1.604 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1689988780 WGJSWUYOJMVZLA-OALUTQOASA-N 459.572 1.471 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1689992040 GFQCWXCSQMARBT-HUUCEWRRSA-N 463.510 1.052 30 10 JDEE C#CCN(c1nnc(CC)n1CCc1c(OC)cc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1689992600 MRVZGZQNSASXIU-INIZCTEOSA-N 462.572 1.736 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1689997032 UNXOYDCAOFSVAF-OAHLLOKOSA-N 485.488 1.004 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(Cn2ccnc2)c1 1689999989 OTQJMGCZZVIBOA-SFHVURJKSA-N 451.556 1.254 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CSCCS2)CC1 1690137886 KUFOCDUCTXDQLT-XMSQKQJNSA-N 479.672 1.745 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2CCS(=O)(=O)C2)CC1 1690152779 XOBFPGNXGIOHKK-LJQANCHMSA-N 499.637 1.820 30 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465.620 1.699 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1705568171 ITYWAZNZWFCYNP-IBGZPJMESA-N 493.630 1.672 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2nnc3n2CCCCC3)CC1 1705645434 UKLQRZUMCBTHSL-GOSISDBHSA-N 484.605 1.334 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCn2cccn2)CC1 1705651167 MMGJBQYFQMYYTE-UHFFFAOYSA-N 480.598 1.522 30 10 JDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705720388 UKWMNXFASLUQOC-UHFFFAOYSA-N 485.574 1.054 30 10 JDEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCS(=O)(=O)N(C)C)CC1 1705784964 QFFUQZUGKUYDCQ-UHFFFAOYSA-N 452.606 1.563 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1705896811 YWZOSJBUJZTJNZ-SFHVURJKSA-N 496.572 1.288 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](CC)C1 1705907621 SDKMMXDDVWQDEB-JOCHJYFZSA-N 467.618 1.560 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705933699 POUBBHURLVGDOF-LJQANCHMSA-N 454.574 1.462 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(OC)cc2C1 1705935993 HOIUTWNZQCOGAI-QGZVFWFLSA-N 480.612 1.352 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC1(C(N)=O)CCCC1 1706621844 FFBGZHUWVZCFPU-UHFFFAOYSA-N 478.601 1.656 30 10 JDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1706632657 FBLMGJAXIUZAIN-GOSISDBHSA-N 478.601 1.521 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(F)cc2)CC1 1722316629 KLDOJUYYGASLDM-OAQYLSRUSA-N 490.605 1.880 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1722358686 KQHKMPSOKJTCDP-IERDGZPVSA-N 474.612 1.838 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1722364700 MFQYENMZUFNFJW-NVXWUHKLSA-N 489.989 1.875 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(S(C)(=O)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722364725 IYHSJRJPWNHEDU-LJQANCHMSA-N 491.639 1.248 30 10 JDEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1722371971 NOJNRIYRACJSAZ-KRWDZBQOSA-N 454.556 1.113 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C2CC2)c1 1722426175 BODABLNPWGJAIO-NRFANRHFSA-N 473.599 1.623 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@](C)(O)c2cccs2)CC1 1722441186 NFELSMLSUKYORR-JOCHJYFZSA-N 458.588 1.351 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1722450372 GAQHVLQRXVTCQR-KRWDZBQOSA-N 489.573 1.397 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)C(C)C)CC1 1722529566 WCIUFWZJWICMTF-KRWDZBQOSA-N 456.613 1.176 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1722696324 IXFGGBTVFDVSCN-KRWDZBQOSA-N 467.574 1.045 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1722700493 KSOWFYMAWOQSOY-OYRHEFFESA-N 494.644 1.193 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)c(O)c2)C1 1722717440 AWYPLVYTXXSAOE-XLIONFOSSA-N 493.586 1.155 30 10 JDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1CN1CC[C@H](O)C1 1740612805 JDKUUCLARHBUKR-FQEVSTJZSA-N 464.595 1.954 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740620926 IGDPSSDCYRNDIJ-KRWDZBQOSA-N 473.599 1.885 30 10 JDEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1740625167 OIBCJJYCFGUXNA-SFHVURJKSA-N 468.583 1.502 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN2CCOCC2)c1 1740640652 RXZZJLJELPVRLF-JOCHJYFZSA-N 467.595 1.134 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)COC2 1740657347 RFYHKQAPJCRBDR-NRFANRHFSA-N 469.567 1.152 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2Cc2ccc(C)n(C)c2=O)n1 1740688852 KPAXRIWDDRCFFG-UHFFFAOYSA-N 472.553 1.878 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)CCC(C)C)CC1 1740705973 PGECQIQQEWTYIC-WMZHIEFXSA-N 479.647 1.333 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1740710471 ZMEWTMMYFSHCAW-AGIUHOORSA-N 455.528 1.411 30 10 JDEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)NCCOC)CC1 1740745823 GZRFPBYRESYNJI-UHFFFAOYSA-N 478.395 1.057 30 10 JDEE C=C(Br)Cn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@]1(OCC)CCOC1 1740748497 GRFGJNDJLFQGKR-IBGZPJMESA-N 465.352 1.495 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740850472 HKBUYJOYTOJBHG-JKSUJKDBSA-N 464.592 1.255 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1740875872 LOLDXXFENWMQAD-OTWHNJEPSA-N 470.640 1.123 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(C(N)=O)(c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1740966298 XMQWRNZKDMTLMI-RUZDIDTESA-N 482.585 1.256 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740988442 DWOVDUZDVIVNTC-KRWDZBQOSA-N 475.571 1.627 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1740990228 MVAAVUSWBFUHJR-GOSISDBHSA-N 483.598 1.789 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1740991751 CUWIBMUQUIXEKV-IBGZPJMESA-N 480.635 1.501 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](C)N1CCOCC1 1741134722 HNXGRPVUOGHFLD-PKTZIBPZSA-N 480.661 1.959 30 10 JDEE CC(C)(C)[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1741242186 CVTVQMLTNWCIJH-PMERELPUSA-N 464.617 1.446 30 10 JDEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)S(C)(=O)=O 1746308393 CPMPQPJDTIBFKS-SFHVURJKSA-N 480.616 1.112 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(OC)cc1 1748791200 QEEPXTNPARBHQV-APWZRJJASA-N 463.560 1.157 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1748801550 CQNVZMFDYCOGBK-OALUTQOASA-N 464.636 1.163 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1748808770 NERKFLFRQIBMHA-PXNSSMCTSA-N 478.018 1.946 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1748816155 XUSCJSYIERAVJC-HNNXBMFYSA-N 470.555 1.646 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748825713 CRENZMSGQFQGKS-MSOLQXFVSA-N 459.547 1.912 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(O)CCOCC2)CC1 1748972621 MDXPXEWDAZCLFU-UHFFFAOYSA-N 472.977 1.158 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cccc(F)c2F)CC1 1749010550 SIDKXYLTYUUTIX-GOSISDBHSA-N 456.497 1.716 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cccc(F)c2F)CC1 1749010552 SIDKXYLTYUUTIX-SFHVURJKSA-N 456.497 1.716 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1749114996 KGXINKMXIHZYQZ-FUHWJXTLSA-N 468.624 1.306 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCCN(C(=O)C2CC2)CC1 1749651873 ARBIHWJEQIJTAU-UHFFFAOYSA-N 490.406 1.797 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1749671698 GTRSBOZUGVNPDR-UHFFFAOYSA-N 487.555 1.194 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1749738564 PZZYOHNMBSWNOB-MRXNPFEDSA-N 456.572 1.618 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC(OCC)C1 1760115607 AOUAIDDINLMORL-GRJHGRLYSA-N 463.579 1.974 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CN(C)CC)c1 1760115796 BQANGZVNRINGLK-NQIIRXRSSA-N 474.631 1.569 30 10 JDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760135441 VZBBIFJTUZDBFU-UHFFFAOYSA-N 497.625 1.904 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760144102 CXNRBVPOMQKRRR-UHFFFAOYSA-N 459.514 1.159 30 10 JDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1760152374 KIXWJSRRQBZWII-SFHVURJKSA-N 497.625 1.713 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1760173962 BYJAWUAIFGKIKJ-SJORKVTESA-N 484.623 1.326 30 10 JDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN(C)S(=O)(=O)CC 1760174514 GNZWYCYOPVYHGJ-QGZVFWFLSA-N 484.623 1.328 30 10 JDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCN1CCN(Cc2ccccc2)CC1 1760206792 MMYGQIHSDOJTCV-UHFFFAOYSA-N 459.598 1.291 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCOCC(F)F)CC1 1760256283 UDWYABPSQMHPEP-UHFFFAOYSA-N 467.542 1.776 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(=O)N(C)Cc2ccccc2)CC1 1760271624 DSDGKOPNKLXUJK-UHFFFAOYSA-N 485.592 1.888 30 10 JDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCCCC)CC1 1760300282 CWIAVNUIGHRTBD-CQSZACIVSA-N 491.456 1.930 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1760524256 TYLOVOBERATCGR-HKUYNNGSSA-N 480.635 1.305 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)NC)CC1 1760558698 XSRWWCNTRQHQOE-UHFFFAOYSA-N 476.603 1.482 30 10 JDEE CCN1CCN(C[C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)CC1 1765560033 HDFDLNMCWIRRAU-OALUTQOASA-N 486.646 1.272 30 10 JDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC(OCC)C2)CC1 1765650744 BVDAFDMTXXADRJ-UHFFFAOYSA-N 453.547 1.598 30 10 JDEE CC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1869930078 SPLLAQQLOLJAKJ-GOSISDBHSA-N 457.512 1.761 30 10 JDEE CC(=O)Nc1ccc([N+](=O)[O-])c(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1890445380 GPWXUVDNSTWOQG-UHFFFAOYSA-N 457.531 1.425 30 10 JDEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)C1 2218607518 BQRCJMVQMQRQGQ-OAGGEKHMSA-N 455.552 1.305 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255657625 RPYNPLULNRRDFC-QWHCGFSZSA-N 453.370 1.854 30 10 JDEE C[C@@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2255948925 RGKKTEOXDKLKOZ-ZDUSSCGKSA-N 458.390 1.158 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)CO1 2267353596 QYWPNKNQHSGHGF-CQSZACIVSA-N 472.344 1.954 30 10 JDEE CON(CCNS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267724011 CIAFLXDNTMPRPH-UHFFFAOYSA-N 474.389 1.105 30 10 JDEE Cn1cc(C(=O)NC[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282546402 LYTAIEGDGNCYLN-JOCHJYFZSA-N 464.372 1.211 30 10 JDEE Cn1ncc(C(=O)N[C@H]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282561031 PYZSCPLKTYMMHV-GJZGRUSLSA-N 464.372 1.521 30 10 JDEE CN(Cc1ccccc1)[C@@]1(CNC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCOC1 2282586975 GUDCZTPBVGYRBH-XMMPIXPASA-N 454.380 1.740 30 10 JDEE Cc1cc(CN(C)C(=O)CNC(=O)CNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2283964639 OGQWVQQVWGVMBY-UHFFFAOYSA-N 481.424 1.955 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2OCCC[C@@]2(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2284058427 LVOPXUHYQRCJJD-YEJXKQKISA-N 480.396 1.614 30 10 JDEE COc1cccc(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Br)c1O 2322659746 BRZUIGGZQODTSD-NSHDSACASA-N 457.306 1.526 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2336902901 IKAIXHKPCSNSPP-ZDUSSCGKSA-N 451.377 1.784 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCOC[C@@H](NC(=O)OC(C)(C)C)C1 2337189799 GIMYOPBAPBYGHN-AWEZNQCLSA-N 450.345 1.085 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2359392317 ICRSUCAMIOIGCE-IXDOHACOSA-N 482.770 1.919 30 10 JDEE COc1ccc(N2NOC(=O)/C2=C/C(=NC(=O)c2ccccc2)C(=O)N2CCN(C(C)=O)CC2)cc1 585673916 YXJHJVGEDXIMQV-TVIFVMLKSA-N 491.504 1.334 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)cc2C1=O 853259721 ORWUMTBSZBHLKM-UHFFFAOYSA-N 491.500 1.414 30 10 JDEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)c1 1083896337 LHFTYLNHMDEXKV-UHFFFAOYSA-N 455.500 1.949 30 10 JDEE COc1ccc(CCNC(=O)CSc2n[nH]c(NN=Cc3cn(C)nc3C)n2)cc1OC 1084468471 SCIFVKITGDHSGZ-UHFFFAOYSA-N 458.548 1.761 30 10 JDEE N#CCCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 1197050443 BIQAIKYYGOZJBK-UHFFFAOYSA-N 455.584 1.204 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1c(C)nc2ccccc21 1286296444 ORMXJYSFEMLJOB-UZLBHIALSA-N 471.587 1.427 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1286392184 IBMCYDREAZDKMR-KSZLIROESA-N 489.564 1.683 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1286394113 GVLXTKIDOOFIGW-SJLPKXTDSA-N 496.586 1.058 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1286395721 UEGVMXUQDMLVLQ-LDLUVENISA-N 469.032 1.918 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC1CCCC1 1286553391 DLINUJMTBRQODT-UHOSZYNNSA-N 469.608 1.903 30 10 JDEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286711395 KWIUXKDFNSJPHY-NRFANRHFSA-N 498.584 1.557 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286784872 WPVCLTULDFXPSU-IBGZPJMESA-N 467.530 1.023 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1286788877 JHDHLDUOYFZMRE-UHFFFAOYSA-N 466.634 1.561 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](N3CCCC3=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286793346 WRIHYDIZJYLTDI-MBSDFSHPSA-N 460.579 1.212 30 10 JDEE C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1286797432 XMUZOZLRVGKWTI-UHFFFAOYSA-N 480.573 1.481 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286817888 QABOSZFHJYAONH-QAPCUYQASA-N 486.591 1.781 30 10 JDEE CC(C)C[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1287321262 DGZPFLWRVAJARL-PMACEKPBSA-N 489.646 1.900 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1300303783 JZJCBJRDPXNASW-MWTRTKDXSA-N 484.582 1.073 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1300338758 FZMAZYIILUQICU-OKZBNKHCSA-N 480.635 1.995 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300498137 HOYFMDNKRVFKFT-FQEVSTJZSA-N 470.599 1.340 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(CSC)cc1)[C@H]1CCS(=O)(=O)C1 1300501666 MVJQCIOYPRPMPP-FQEVSTJZSA-N 487.651 1.939 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccsc1Br 1300631168 MTYJNVSEDZJUKI-AWEZNQCLSA-N 488.433 1.943 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1300655433 XWLNBSADZWMXHZ-IBGZPJMESA-N 473.382 1.888 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2[C@H]2C[C@H](c3ccccc3F)C2)CC1 1300682911 KWIHRBAMBCYLPN-BZSNNMDCSA-N 460.579 1.901 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(S(C)(=O)=O)CCC2)CC1 1300685657 RLXXHDGTESNXME-UHFFFAOYSA-N 481.420 1.758 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCOC[C@H]2C)CC1 1300719019 LLXOZYKMAJACEK-LJQANCHMSA-N 496.612 1.649 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCOC)CC1 1300727444 XXGJFGNJTYBKQE-SFHVURJKSA-N 476.578 1.199 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(O)CCC[C@H]2C)CC1 1300728660 DDOTXMNLGMRGGM-MZNJEOGPSA-N 453.591 1.657 30 10 JDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)N(C)C)CC1 1300830291 DVACQFBHKBBUOA-CYBMUJFWSA-N 477.429 1.492 30 10 JDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1301185809 KZWGWTGVOVRKCX-KRWDZBQOSA-N 476.607 1.138 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1301258307 POKUGFPONGQZSD-IBGZPJMESA-N 491.589 1.874 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CN(C)C1=O 1301340239 XNGLLXJDZJZGQV-WMZHIEFXSA-N 468.583 1.723 30 10 JDEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1301435573 DGFMLZWTBPZZAR-UHFFFAOYSA-N 451.549 1.675 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1301458563 XBDCULPMGADHAR-MSOLQXFVSA-N 496.634 1.777 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1301588402 YRRZGBXREPKHNL-UHFFFAOYSA-N 476.603 1.779 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C(=O)NCCN3CCOCC3)[C@H](C)CC)cc2C1=O 1353675830 QLBXGFSOTIHRGX-UZLBHIALSA-N 456.543 1.062 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(SCC)c1 1358948484 DBEUVQGMXVOGLK-MRXNPFEDSA-N 450.590 1.236 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(OC)c(O)c1)[C@H]1CCS(=O)(=O)C1 1358957134 QFBJGOVQWFCUAC-MBSDFSHPSA-N 490.582 1.319 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1358961074 REXZJIPYKSXFAS-PMACEKPBSA-N 472.615 1.324 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1c1cnn(C)c1 1358984060 GRMUYNNZODXXLE-LJQANCHMSA-N 457.542 1.791 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc3cccnc23)CC1 1359040606 BJZXLVQTQIPXIO-KRWDZBQOSA-N 495.609 1.451 30 10 JDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1359052450 FVHJSEVDJURGIF-UHFFFAOYSA-N 460.007 1.761 30 10 JDEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1 1359055084 SDVGHVMDMSDEDD-MRXNPFEDSA-N 465.583 1.914 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1359073622 YGVBDKAFKQJHNN-MHECFPHRSA-N 452.534 1.876 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1359208411 LONJYMHTRQUJFY-HNNXBMFYSA-N 455.654 1.858 30 10 JDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1S(C)(=O)=O 1359241150 HDZKEVHQZRJXNL-IAGOWNOFSA-N 484.623 1.633 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](n2cncn2)C1 1359296461 KCSQTKNLDMWTGG-INIZCTEOSA-N 452.519 1.698 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1359297100 FOYALIWJIOLKLU-INIZCTEOSA-N 466.546 1.831 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1359305937 QZYJHQITIWIGCT-HOYKHHGWSA-N 492.621 1.974 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1359331376 WWBUSTYXAYDURL-GOSISDBHSA-N 458.592 1.999 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)N(CC)C[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1359335196 DBWZBNVJWXMLGO-BBTUJRGHSA-N 455.625 1.450 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1359335447 LVZYEJCEQHEGRK-LJQANCHMSA-N 473.599 1.967 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCO[C@@]2(CCOC2)C1 1359335576 PAYPUWFXQSSQOV-QFIPXVFZSA-N 478.571 1.462 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1507631487 QASLQRDSNFSIQX-SFHVURJKSA-N 457.604 1.484 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCO[C@H]2CCOC2)CC1 1507717067 YDKCIEHIJXFYJF-NRFANRHFSA-N 487.004 1.812 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H](C)N2CCOCC2)CC1 1507731764 CLYCRTQEHHBZJR-NRFANRHFSA-N 468.602 1.732 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1507736330 ILIPTPKQCCFHDD-UHFFFAOYSA-N 478.578 1.758 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(C)noc1C 1507771865 FKTQQRDEIWYUMJ-WIYYLYMNSA-N 462.576 1.451 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(C)c1C 1507916407 QBNHYKQHLAHRRK-GOSISDBHSA-N 465.624 1.892 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1507964296 AGZSYPGNTHQDAR-IRXDYDNUSA-N 469.608 1.876 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCS(C)(=O)=O)C1 1508121797 GWHOKSZODDZFOD-LJQANCHMSA-N 475.619 1.668 30 10 JDEE CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCS(C)(=O)=O)C[C@@H]2C)CC1 1508231708 IABOJYLVRWHBRW-AVRDEDQJSA-N 499.641 1.240 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCOCC2)CCO1 1508373820 DNVYLJNRQIIKEB-NRFANRHFSA-N 467.574 1.269 30 10 JDEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1508463294 BGQQCEUJEOLFJA-HXUWFJFHSA-N 499.641 1.983 30 10 JDEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC)C1 1516065070 DXTSJVUQZYGOPL-GOSISDBHSA-N 460.560 1.966 30 10 JDEE CCO[C@]1(c2nnc(N3CCN(c4ccccc4C#N)CC3)n2CCS(=O)(=O)CC)CCOC1 1516211602 ALOKOAMWGZOTQC-HSZRJFAPSA-N 488.614 1.563 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCC1CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1539202194 GQMKEEKJWNFFER-JLAWEPINSA-N 486.598 1.757 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539217015 ZFCALFGOKQHIFC-ICSRJNTNSA-N 472.615 1.244 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1539221843 RILFDRKHLBXKFW-AZUAARDMSA-N 471.583 1.633 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539224579 IKAPLQXMKOCMQO-VPTFNQTCSA-N 463.629 1.438 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2C[C@]2(C)CN(C)C2=O)n1 1539424482 QSVBUMLTLWITDI-DEOSSOPVSA-N 462.558 1.610 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC[S@@](=O)CC)CC1 1539477239 KLWNVGPTXVGTDX-UMSFTDKQSA-N 481.582 1.328 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCSCC(F)(F)F)CC1 1539477667 VIYGBQQXYTVKIJ-CQSZACIVSA-N 458.510 1.491 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(C(=O)OC)CC1 1539557232 NNZBNSGVHHIGJK-PGRDOPGGSA-N 494.618 1.082 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1c[nH]c2ccccc12 1540871478 MQVPIZWAHUPUMW-INIZCTEOSA-N 456.572 1.990 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCNS(C)(=O)=O)C1 1540887543 YSRJSGAVGPEGHF-OAHLLOKOSA-N 455.968 1.938 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1541803247 FHWIFCFSBIBVJU-HOCLYGCPSA-N 451.574 1.370 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3C[C@H](CC(C)C)N(C)C)CC2)c1C#N 1543001791 CGNJCQCKXVMUQW-ICSRJNTNSA-N 482.637 1.446 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@](F)(C#N)C1 1552378540 CEHDZALRRSPEGO-HXUWFJFHSA-N 458.523 1.716 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1588030545 WZBNBOKOIIGLNS-IBGZPJMESA-N 485.614 1.427 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1588647454 VJGBJDRBAJJBIV-XUVXKRRUSA-N 465.620 1.462 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCS2)n1 1588723205 KCHQYPDHCPHZGH-PKOBYXMFSA-N 478.644 1.559 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1588923494 BFJHBTCQDITVJY-UHFFFAOYSA-N 464.549 1.898 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1588955253 TWYWMIPHHKYVAF-IBGZPJMESA-N 475.640 1.864 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCN1S(C)(=O)=O 1589143032 WBSGAEAWEGLVIP-DYESRHJHSA-N 450.609 1.613 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1nncn1C 1589295053 CCPYPLYRVYLFRT-RYUDHWBXSA-N 459.374 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1.119 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC1CC(F)(F)C1 1286782536 XXJOZTXMWMWMKI-UHFFFAOYSA-N 482.557 1.979 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1286813874 DZHUFPLYLIAGMS-QZTJIDSGSA-N 489.554 1.862 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1286818310 GKAJEOAHIXUYKG-UHFFFAOYSA-N 469.571 1.242 30 10 JDEE CC(C)[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)N1CCOCC1 1288816700 GGWFBZUOGPGFIV-IEBWSBKVSA-N 467.640 1.375 30 10 JDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CSCCN1Cc1ccccc1 1296343665 CJSHISICAGDQML-YLJYHZDGSA-N 458.609 1.959 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1299305364 FJGRHXVVZGDNRT-UHFFFAOYSA-N 484.561 1.535 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNS(C)(=O)=O 1300303430 KKVDVSLHDIICNT-CVEARBPZSA-N 454.597 1.400 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2CCN(C(C)=O)CC2)c1 1300330496 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C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2CCS(=O)(=O)CC2)C1 1301567937 ZUVFNFPHHSAXST-QGZVFWFLSA-N 479.628 1.876 30 10 JDEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCNC(=O)C1 1301593778 UJEQUPOLPKKKGR-UHFFFAOYSA-N 455.993 1.761 30 10 JDEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1314023065 HUTPXVRTYSOKMQ-NRFANRHFSA-N 497.600 1.854 30 10 JDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCOCC1 1316354669 HSHAEMWDUMFQHV-GOSISDBHSA-N 460.560 1.379 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)N1CCCC1 1358890088 KQRZUNCMZAOEKQ-KSEOMHKRSA-N 486.642 1.906 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 1358961710 DICOFTFOSYVCJO-DOTOQJQBSA-N 463.510 1.377 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1358965220 QGTMQBBBIOOION-OKXSDPAFSA-N 476.624 1.415 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1358967244 GODAOSCCSLPOIR-LRXVAGHRSA-N 462.572 1.874 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1358978021 BQMOWJCYJUUKGR-ZRCGQRJVSA-N 476.647 1.194 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CC=CCO2)CC1 1359031449 CAQSYMPRVHFWER-FQEVSTJZSA-N 470.599 1.296 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1359038220 NTFLVYFLLOFUHS-BGYRXZFFSA-N 485.658 1.524 30 10 JDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1359077192 WPZMFGIKFAMOCF-GOSISDBHSA-N 462.308 1.865 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1359228097 UFQWJECGGWEKAS-HRCADAONSA-N 497.540 1.360 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccccc2[C@H]1C 1359333091 OBKIKIPXYAHWMK-AEFFLSMTSA-N 464.613 1.905 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1359334878 SZKABTUYRBRKLW-MOPGFXCFSA-N 473.599 1.790 30 10 JDEE C#CCN(C(=O)NCCc1ccc(I)s1)[C@H]1CCS(=O)(=O)C1 1468517759 HBZXWGILMDIYDN-NSHDSACASA-N 452.339 1.727 30 10 JDEE C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CC1 1473347608 LZJQHFLIGDMKMO-UHFFFAOYSA-N 455.512 1.112 30 10 JDEE C#CCCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507556706 KVFHIJSPWXDFLG-RTBURBONSA-N 480.569 1.767 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1507629354 SMCOFJOMCLVFIS-VQTJNVASSA-N 487.607 1.411 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1N1CCCC1 1507642787 MRUWJVXOUYEKTN-KRWDZBQOSA-N 458.563 1.749 30 10 JDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCS1(=O)=O 1507703933 JSRBYBCBXKWYLB-RXVVDRJESA-N 454.593 1.372 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1507710130 KAAWOUDTLRPAQE-MZNJEOGPSA-N 466.542 1.301 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2csc(C(C)(C)C)n2)CC1 1507720070 CAUFAELLECOYAT-MRXNPFEDSA-N 479.676 1.640 30 10 JDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1507727116 GUPWVJFBKPBQHJ-OAQYLSRUSA-N 452.603 1.548 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1507781599 DFFLIUMWLOCMAU-KBPBESRZSA-N 472.351 1.515 30 10 JDEE C=CCCOCCn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OCC)CCOC1 1507966051 LZEUGWFJAXXIKH-LEWJYISDSA-N 454.593 1.538 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)N1CCOCC1 1508041881 PGVQRCFXLXNYSH-SFHVURJKSA-N 478.594 1.848 30 10 JDEE CCN1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1515864898 DNPSOSCGYVUQRV-FQEVSTJZSA-N 457.604 1.773 30 10 JDEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3COCCN3C(=O)OCc3ccccc3)CC2)c1C#N 1537402690 AVGHXJNASAGFKA-HXUWFJFHSA-N 452.515 1.286 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCN1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1539216381 RAXUMLUJVIVXKL-SFHVURJKSA-N 457.604 1.484 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1539427971 KWSDWBUTOBQIJZ-UHFFFAOYSA-N 472.903 1.626 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NCCOC)CC1 1539596604 MYGSEAUAYNETGC-INIZCTEOSA-N 471.400 1.313 30 10 JDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1539752475 PCWWLRLTPGCJAP-OAQYLSRUSA-N 453.591 1.599 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(C)c2)CC1 1540871034 BUZJBHPCUBAIBW-SFHVURJKSA-N 458.588 1.117 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1540901103 SKNPCFGQCREEDV-WIYYLYMNSA-N 489.646 1.253 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1540908932 SAZUEDAPODKLCQ-NQIIRXRSSA-N 469.608 1.024 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCCC2)nc1 1541115653 CJZSZFQBGWHKQO-IEBWSBKVSA-N 488.618 1.250 30 10 JDEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1541566660 FKMYGCWXPSISGN-UHFFFAOYSA-N 475.619 1.398 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1552379243 DVZSLHXZTDZLBX-HXUWFJFHSA-N 485.614 1.499 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CCC[C@@H]2C)c1 1587693297 RCKYLDUSFJRWRT-TVVUZDRGSA-N 450.543 1.837 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1587765146 BHTQNWJFKUFZTG-OALUTQOASA-N 480.635 1.300 30 10 JDEE C#CCCCn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1[C@]1(OCC)CCOC1 1587894448 UCCAHNYPZWVYBU-JPYJTQIMSA-N 450.547 1.720 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1588045548 MMZSZOPIJCAEGL-SJLPKXTDSA-N 460.556 1.626 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1588046195 ZMNGPNYHDKKDMN-LAUBAEHRSA-N 460.629 1.404 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](CC)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1588054626 OWKCDQDMSFQQPB-GGPKGHCWSA-N 489.573 1.853 30 10 JDEE C#CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)o3)CC2)CC1 1588765867 NPRQFBSCVSFDMH-UHFFFAOYSA-N 452.529 1.234 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(C)(C)C(=O)NC)CC1 1588899173 LXNBOVJUXBRBIT-UHFFFAOYSA-N 482.585 1.700 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCCCS(C)(=O)=O)CC1 1588913818 RCWVAVSLFPBGIA-UHFFFAOYSA-N 460.604 1.464 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2cccc(F)c2)CC1 1588930437 WCMZHTOZOMEAEZ-GOSISDBHSA-N 489.573 1.364 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1595530259 YSEUXBKQFWOVCJ-UHFFFAOYSA-N 494.644 1.864 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](OC)C1 1595766289 NUJOWRUSTHVTQJ-KRWDZBQOSA-N 468.601 1.565 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1595776455 AGFJCOIBCMOECJ-HNNXBMFYSA-N 477.543 1.552 30 10 JDEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NC(C)C)C[C@H]2C)CC1 1596133465 DXTZTAUTUQSAME-AUSIDOKSSA-N 492.628 1.720 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C#N)C1 1617345783 BXXYIIXAHCBGID-QGZVFWFLSA-N 484.529 1.947 30 10 JDEE C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1631124317 CBSQFKJUCDBBJW-FUHWJXTLSA-N 457.962 1.720 30 10 JDEE C=C[C@H](C)NC(=O)CSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 1631631184 VOOXGORQLLHSSG-AWEZNQCLSA-N 457.574 1.079 30 10 JDEE CC(=O)N1CCN(c2cccc(NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)c2)CC1 1634193795 FRVVEMYOFPCJMT-INIZCTEOSA-N 455.540 1.532 30 10 JDEE C#CCN1CCN(C(=O)CN2CCn3c(Cc4cccc(Br)c4)nnc3C2)CC1 1642894178 OXHWSKRPISVPRX-UHFFFAOYSA-N 457.376 1.224 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)cc1 1654537296 HFEDXYHYOOIHFX-UHFFFAOYSA-N 450.542 1.583 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-n1nc(C)cc1C 1689966473 SQPOPBGTJWXJQK-NRFANRHFSA-N 483.598 1.531 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O)[C@H]1CCS(=O)(=O)C1 1689988111 JHKMEWZORZGGBX-QUCCMNQESA-N 473.574 1.656 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(OC)c(OCC)c(OC)c2)CC1 1690109031 DJBYMHDSDVFPIN-UHFFFAOYSA-N 470.574 1.636 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccnc(SCC)c2)CC1 1690134703 BYHLGDLOIAVWHG-UHFFFAOYSA-N 469.615 1.937 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC(=O)NCCC)CC1 1690152825 YWLLUSYAXMOBAL-UHFFFAOYSA-N 452.559 1.658 30 10 JDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1690172960 SBVISMHBRFNMGG-GOSISDBHSA-N 455.588 1.707 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1F 1690206376 PFBLXBFXQXBMQL-GHTZIAJQSA-N 465.526 1.930 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NS(C)(=O)=O)CC1 1690254607 DTKIFIJMZNOZAW-ZULIPRJHSA-N 483.635 1.501 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1690288273 PQNYMRCDRDTJFF-FQEVSTJZSA-N 477.587 1.767 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1690485154 MKUVTIYDRTUEHR-IAGOWNOFSA-N 454.597 1.072 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1cccc(C)c1 1690723745 AAEPHOVPHBHADH-SFHVURJKSA-N 483.616 1.288 30 10 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1740708421 OTSSFXINDLFYRB-UHFFFAOYSA-N 491.596 1.025 30 10 JDEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740709362 MHYQJGQQKUQEPT-RBUKOAKNSA-N 482.610 1.548 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(CCS(C)(=O)=O)C1CC1 1740752622 YQSURGMLDBFWMZ-QFBILLFUSA-N 474.587 1.920 30 10 JDEE C=CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1740907976 GCCARXNWKMONOH-JOCHJYFZSA-N 478.571 1.675 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@](C)=O)CCC1)C1CC1 1740909897 COVAAWHQUSVPQP-BCOMRZATSA-N 457.622 1.067 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)CC1 1740969247 LOEYNMAJZIBVMT-LJQANCHMSA-N 461.588 1.867 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1740994875 YBDPGAGOBDFMJN-OAHLLOKOSA-N 467.979 1.778 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1740995200 DEEDSTWARBRAQS-UYAOXDASSA-N 496.678 1.008 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCCN(C)C)c1 1741801416 APDPXZLNUXYRIL-HKUYNNGSSA-N 460.604 1.907 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCOCCS(C)(=O)=O 1748803105 OGAOYIDKUUDHDN-INIZCTEOSA-N 455.581 1.481 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(CCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1748804455 IAKLRTWJXRSTEQ-DLBZAZTESA-N 471.649 1.485 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccccc1S(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1748806062 ZCAJDMZJQQISCF-MJGOQNOKSA-N 493.655 1.717 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOC1 1748944702 BUDQCULLWJSLFW-CTNGQTDRSA-N 491.589 1.817 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(I)cc2)CC1 1748971573 VSFNRRSZHNXVMB-UHFFFAOYSA-N 492.365 1.824 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cnn(CCOC)c2)CC1 1749000892 CXISNIZHRNIJQH-OYRHEFFESA-N 498.632 1.695 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1749001061 FXPQAHFNDBZHJI-PMACEKPBSA-N 471.650 1.750 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1749154114 MDPXKHKMBPCBMF-OAQYLSRUSA-N 458.544 1.546 30 10 JDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1749219779 RZBJGHAWPMRNSA-QGZVFWFLSA-N 451.535 1.571 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)NC2CCCCC2)CC1 1749342853 QOVWITSEONGKRC-FQEVSTJZSA-N 494.662 1.852 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1749678182 YKRBSZJVUHOMKV-RTWAWAEBSA-N 468.602 1.933 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)NC2CCCCC2)C1 1749713225 QHDPLGFYZJMVIO-IEBWSBKVSA-N 465.620 1.801 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CC[C@H](CO)O2)c1 1760126363 WIMJTYSHHKHYBQ-VRUMLPLGSA-N 497.596 1.915 30 10 JDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760146623 RAOGBZHSDTUTQT-SFHVURJKSA-N 473.603 1.301 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCC(=O)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 1760189589 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805698975 FHNQIDYXRMEGMV-UHFFFAOYSA-N 460.508 1.431 30 10 JDEE CCC(C)=NNc1nc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n[nH]1 1084047364 WEXTZSNNUKLNAV-UHFFFAOYSA-N 467.577 1.754 30 10 JDEE COC(=O)CSc1n[nH]c(NN=Cc2c(C)nn(-c3ccccc3)c2N2CCOCC2)n1 1084047878 HZRWAYMUVNMQKY-UHFFFAOYSA-N 456.532 1.847 30 10 JDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)Nc2cccc(N3CCCC3=O)c2)n[nH]1 1084529195 MWKLHBWEXPTDCX-UHFFFAOYSA-N 497.585 1.914 30 10 JDEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NC[C@@H](O)C(N)=O)ccc1Cl 1156613815 XCAAVLOJMARFRQ-MRXNPFEDSA-N 455.895 1.436 30 10 JDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1cc(Br)c(C)c(C(=O)OCC)c1 1188516878 YJDMWHYSXOSHQF-UHFFFAOYSA-N 454.364 1.813 30 10 JDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1)c1ccc(Br)cc1 1252459566 SPMHPWMZKQKKJH-OAHLLOKOSA-N 452.334 1.563 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2([S@@](C)=O)CCC2)c1 1286308326 HLROISHPXOJBEQ-UUWRZZSWSA-N 482.610 1.872 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1286389402 JHWQFOPGLFVRLK-LYGNXSNRSA-N 459.572 1.205 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286392096 KRHUBBVSJAVANT-HXUWFJFHSA-N 469.611 1.736 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286393701 GBPAGSMUBCFINA-QZTJIDSGSA-N 451.618 1.806 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCSCC1 1286453434 ADHOQAPASHRRPE-QGZVFWFLSA-N 480.635 1.716 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1286477272 UXDSKSHQMUVINJ-UHFFFAOYSA-N 450.568 1.742 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2)CC1 1286486518 NRWBLQBSPFUHSQ-QGZVFWFLSA-N 458.588 1.211 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1286602221 VQVGXCFVABAETG-HXUWFJFHSA-N 468.606 1.734 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1286609139 XMNNEIVFIDTUBO-VQTJNVASSA-N 493.634 1.550 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1286787078 BPAYPDOCNZLQTB-KRWDZBQOSA-N 489.598 1.539 30 10 JDEE CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1293764517 AZNCLRWQGXWNDY-LJQANCHMSA-N 499.641 1.983 30 10 JDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCN1CCC(O)CC1 1297279061 ACOSGDZBSCOAAW-UHFFFAOYSA-N 471.581 1.999 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1F 1300308795 QFBALZRWTKAQSC-CXAGYDPISA-N 455.943 1.910 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2(N(C)C)CCOCC2)c1 1300331327 IWKFFHDNSRQFEL-UHFFFAOYSA-N 493.612 1.681 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1300483478 KEUPACLATQLZIE-IEBWSBKVSA-N 479.628 1.180 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CC(=O)N(CCOC)C1)[C@@H]1CCS(=O)(=O)C1 1300489830 TVWSCZBQKXZJFT-RBBKRZOGSA-N 499.637 1.629 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1300494085 YJGTYHBVECJGCB-QZTJIDSGSA-N 482.566 1.838 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1ccccc1F 1300559268 MYXFHQGTIBEQBF-XMMPIXPASA-N 453.518 1.962 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCS(=O)(=O)c2ccccc2)CC1 1300721899 CKCHAWSTTZDGBQ-HXUWFJFHSA-N 498.609 1.059 30 10 JDEE C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1300928371 AZXDTCPHQAGRAX-INIZCTEOSA-N 455.498 1.469 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1300973539 ZLJUOIYKEQUUSL-IRXDYDNUSA-N 470.640 1.612 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1300988360 BLUUVSANJRHBTK-UXHICEINSA-N 483.635 1.396 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1300990643 MLPSOXZIXOEZFC-PMACEKPBSA-N 477.635 1.898 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1300991309 QRYXYFXTMZVGLB-RTBURBONSA-N 483.635 1.335 30 10 JDEE C=CCCOCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](C(=O)NC)C1 1301240933 IJDGTMLIETUMOH-FQEVSTJZSA-N 451.531 1.879 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1301497452 XFERXUNPXOLPJW-HSZRJFAPSA-N 464.505 1.809 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)c2cccs2)C1 1301557102 MMVOFQDXOVHVSO-WWMYMODYSA-N 497.643 1.362 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCN2CCC)C1 1301558324 VAVJPXFNGSZVNP-NJYVYQBISA-N 496.678 1.657 30 10 JDEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CO)CC2)CC1 1301774602 FLCDAFQJMIESQV-UHFFFAOYSA-N 467.574 1.102 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1302989008 FUXONZASEHWHGQ-MRXNPFEDSA-N 468.505 1.936 30 10 JDEE CC[C@H](C)[C@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1305323009 BGLDUFWJHQFMGB-PBPSECFOSA-N 451.531 1.718 30 10 JDEE N#Cc1ccc(OCc2cccc(C(=O)N3CCN([C@@H]4CS(=O)(=O)C[C@@H]4O)CC3)c2)cc1 1306450616 CGVKJIGHRBQPLW-YADHBBJMSA-N 455.536 1.053 30 10 JDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358963104 BSOOZPBMPHNDQC-MONBJTKQSA-N 474.583 1.824 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)N(C)C)cc1 1358985333 WLANJHOPYRDNOQ-KRWDZBQOSA-N 471.587 1.493 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1359064425 SCXPVAWZCWSVJO-BZDHPDOMSA-N 492.625 1.227 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1359150594 BRMAPNNWHADQIS-IRXDYDNUSA-N 462.016 1.801 30 10 JDEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](C(=O)NC)C1 1359187334 JTNQWUDGGNUFJY-KRWDZBQOSA-N 475.619 1.792 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C(=O)COC)CC1 1359294504 VNJSUCSEEBJAFM-UHFFFAOYSA-N 495.353 1.444 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1359299649 KLNAVUQSTLTBEL-FXAWDEMLSA-N 467.574 1.423 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](NC(C)=O)C1 1359329172 APYYHOBINSJQHM-KRWDZBQOSA-N 461.544 1.380 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)CC1 1465247209 HQXZRAQHLQDUBE-UHFFFAOYSA-N 455.540 1.864 30 10 JDEE CCn1cccc(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCO[C@@H](C#N)C2)c1=O 1502233694 HKGNWCGLXFMYJO-SFHVURJKSA-N 450.499 1.921 30 10 JDEE CN(CC1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1503555753 HNRONSYNTFQALO-LJQANCHMSA-N 458.588 1.961 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC)cc1F)[C@@H]1CCS(=O)(=O)C1 1507623263 UGQYOHPIIPCNRQ-MRXNPFEDSA-N 463.535 1.239 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(C)(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507623545 UDNXMRKOYKTZBX-DOTOQJQBSA-N 471.649 1.341 30 10 JDEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1507628180 GPXNOFLHLLHATC-SFHVURJKSA-N 466.567 1.598 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1507632890 QGLKBNOXBRPAJY-VQTJNVASSA-N 460.604 1.784 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507635214 UIJAIPCMJRXITC-QUCCMNQESA-N 475.590 1.355 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1507636048 XSCPTZUHDRELPH-MSOLQXFVSA-N 482.653 1.524 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1507715701 HJSQXWBSVKALPQ-UHFFFAOYSA-N 483.592 1.829 30 10 JDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1507790857 FAAPEDXOLQWJKF-ZNMIVQPWSA-N 463.398 1.924 30 10 JDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)NC)CC1 1507941591 GXTAOVQHZLBWKD-UHFFFAOYSA-N 461.592 1.623 30 10 JDEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1508048710 WNFTXFUMYVGRAS-INIZCTEOSA-N 470.574 1.946 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCCCC2)CC1 1508131352 LUXWEAMYTAJKKR-UHFFFAOYSA-N 464.636 1.570 30 10 JDEE CC(C)(C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1508466521 HARAUODMPQAAJB-RTBURBONSA-N 465.558 1.841 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CCS(=O)(=O)CC1 1509938409 GOAHRCHLHGUXCX-LBPRGKRZSA-N 471.381 1.714 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCOCC2)C1 1516022157 DJVYEIDXFZYPDE-PXNSSMCTSA-N 473.603 1.055 30 10 JDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1517066181 AABIZPGTGBFSHS-KRWDZBQOSA-N 475.962 1.902 30 10 JDEE CO[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)C1CC1 1517839631 HZBVSVLSQIKOFS-ROUUACIJSA-N 452.581 1.166 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539201705 BYQHSIJDGASTHG-IBGZPJMESA-N 486.598 1.759 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1539206917 XAKDOADQPYOJCP-APWZRJJASA-N 487.420 1.854 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1539368750 BLEAKJLEPVYNPO-JKSUJKDBSA-N 463.526 1.293 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1539474653 WICKBGYHGNVMRP-VQTJNVASSA-N 483.569 1.468 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCCN2CCOCC2)CC1 1539476034 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30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCOC[C@H]2C)CC1 1588733066 LOPVNDLHMAADJQ-LJQANCHMSA-N 486.020 1.337 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCn2ccnn2)CC1 1588908873 XVHMRUGYFIIYNB-UHFFFAOYSA-N 478.557 1.610 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)c2ccc(C)cc2)CC1 1588923718 KEPFXEZCVPWGHO-UHFFFAOYSA-N 472.553 1.439 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](C(N)=O)C1 1595776829 GEGHICAKSOIKNF-QGZVFWFLSA-N 454.556 1.796 30 10 JDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1618815174 DLHCEAAYGJINCZ-QQMNAOGKSA-N 454.531 1.638 30 10 JDEE CO[C@]1(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)[C@@H](C)CC#N)CCOC1 1619049773 DKRGLMWKGHULRL-KKSFZXQISA-N 462.576 1.739 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)N3NC(=O)C[C@]34CCN(C(=O)OC(C)(C)C)C4)cc2C1=O 1645102780 OUQIDADEVUBIKV-QHCPKHFHSA-N 454.483 1.725 30 10 JDEE CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1663612646 BDPFXLBXCJSHNT-MRXNPFEDSA-N 455.945 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C[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H]1CCN(Cc2ccccc2)C1 2282864264 CXSGKKXHTIOJFW-HKUYNNGSSA-N 474.436 1.908 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2283977123 LWZZJLBYRZUJGG-MRXNPFEDSA-N 459.352 1.644 30 10 JDEE Cc1nc(NC(=O)[C@@]2(C)COC[C@@H]2NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2283985776 AGIBFLUKRBPDLJ-NYHFZMIOSA-N 462.356 1.953 30 10 JDEE C=C1C[C@@]23CC[C@@H]4[C@@](C)(C(=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CCC[C@@]4(C)[C@@H]2CC[C@]1(O)C3 2297672737 OQPOFZJZPYRNFF-XCCQUHOKSA-N 480.598 1.414 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2314911471 IBHUHZKAXSOODK-OAHLLOKOSA-N 452.382 1.818 30 10 JDEE CN(C)c1ccc(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Br)cc1 2322659869 ZYMTYKBQJKPUCO-AWEZNQCLSA-N 454.350 1.877 30 10 JDEE Cn1c(=O)c2c(nc(NN=Cc3ccc(Cl)cc3)n2C[C@@H](O)COc2ccccc2)n(C)c1=O 2327751568 DUKQMEPPENSUHH-QGZVFWFLSA-N 482.928 1.973 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H]3C[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)n1 2359280483 YAZHCXQWKHWLQL-LXTVHRRPSA-N 461.372 1.536 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2359390861 WJTIFOCGDYWZNX-BRWVUGGUSA-N 482.408 1.395 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]1(O)CCCN(Cc2ccccc2)C1 2362357936 UAHVRRUFOJGEBA-DEOSSOPVSA-N 454.380 1.476 30 10 JDEE Cc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1/N=C1/N[C@@H]2CS(=O)(=O)C[C@@H]2S1 9860725 UDJSATOHPPBARG-MSOLQXFVSA-N 472.596 1.237 30 10 JDEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3cnn(C(C)C)c3)n2N)cc1OC 20827695 NFODFEYZYAVCAP-ODCIPOBUSA-N 459.536 1.963 30 10 JDEE CCN/C(=N\CCc1ccc(S(N)(=O)=O)cc1)S[C@H]1CC(=O)N(c2ccccc2)C1=O 59446088 ZJGZZDLMCSQZLU-SFHVURJKSA-N 460.581 1.907 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2OC(F)F)CC1 507501239 CWKCUBUMIOHYJX-UHFFFAOYSA-N 457.480 1.855 30 10 JDEE C#C[C@@]1(O[C@@H]2O[C@H](C(=O)OC)[C@@H](O)[C@H](O)[C@@H]2O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 575173222 VTSMRTHVUHLPNJ-MHAJQKBTSA-N 486.561 1.618 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(OC)nc3N3CCN(C(C)=O)CC3)cc2C1=O 589121465 ICYJIINAKKXMOL-UHFFFAOYSA-N 463.494 1.793 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CC(=O)OC)c2ccc(Br)cc2)C1=O 604528146 FMCNFOZXFFOHBD-ZDUSSCGKSA-N 452.261 1.146 30 10 JDEE CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 609053186 XRLLPDUPAPSFNB-UHFFFAOYSA-N 471.539 1.152 30 10 JDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N3Cc4ccc(C#N)cc4C3)ccc2F)CC1 1130422751 XUNNCDWDWGISJY-UHFFFAOYSA-N 456.499 1.706 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)c1 1187865653 UNQLNPLFWKUAIN-FQEVSTJZSA-N 459.524 1.703 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)[C@H](C)C2CCN(S(=O)(=O)CC)CC2)c1 1190969066 XWWCODJILPLXLZ-MRXNPFEDSA-N 457.618 1.673 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccn2)CC1 1286321741 AHKBYPPHSBLEQX-IBGZPJMESA-N 473.603 1.136 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286380331 HMMVEBXWGSBCKJ-LJQANCHMSA-N 464.636 1.308 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1286394828 KPCVSMCBDMEUOE-FPOVZHCZSA-N 474.583 1.516 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@](C)(O)[C@H](C)CC)CC1 1286490983 ZOZUNEXGAJLWTB-GYCJOSAFSA-N 470.574 1.769 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@](C)(O)[C@H](C)CC)CC1 1286490985 ZOZUNEXGAJLWTB-VOIUYBSRSA-N 470.574 1.769 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CC)CCC2)CC1 1286492767 INQPSHRVNZCNBD-IBGZPJMESA-N 492.646 1.157 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCc2cccc(C(N)=O)c2)CC1 1286493783 PYEQBMVJKMHMHS-OAQYLSRUSA-N 464.570 1.827 30 10 JDEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCS(=O)(=O)C1)C1CC1 1286734489 AZZDENLFNINKTC-INIZCTEOSA-N 479.628 1.785 30 10 JDEE C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1)N(C)C1CC1 1288651200 FWKRSTZKBSVCRW-MMOPVJDHSA-N 465.624 1.224 30 10 JDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cccs1 1298742133 FISKBFCHEFSBDO-UHFFFAOYSA-N 473.584 1.294 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCc2ccccc2)C1 1300409556 IRLSGPQTPSFMBE-LEWJYISDSA-N 473.599 1.820 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1300488687 GETDIFKPXPHKDL-QZTJIDSGSA-N 479.990 1.816 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1300504961 WRBVCLWVARCRIQ-GCJKJVERSA-N 495.001 1.943 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1Cc1nnnn1CC1CC1 1300511899 DDCTYDDGGLHMKP-UHFFFAOYSA-N 454.336 1.564 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1N1CCCC1 1300631944 YNHIBOTTXXRXAE-OAQYLSRUSA-N 490.605 1.858 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1300893409 YRGUYGGLPIYGHX-GGPKGHCWSA-N 450.609 1.990 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1300989644 DJWGYEJKGVNFEY-QGZVFWFLSA-N 469.608 1.830 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1301105361 HWOTZVJQPBPKPQ-HNNXBMFYSA-N 484.623 1.584 30 10 JDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1301229619 UXXWKAIWPRWRTB-GOSISDBHSA-N 471.631 1.979 30 10 JDEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)N(C)C)CC1 1301245993 LCWHHYDDZOCMFA-UHFFFAOYSA-N 456.547 1.477 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cnn(-c2ccccc2)c1 1301296112 FQFMZTAFKPZRIQ-HXUWFJFHSA-N 471.587 1.662 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)nn1C 1301403091 UUKIPKDSFDSCLX-QFIPXVFZSA-N 499.641 1.936 30 10 JDEE C=CCn1c(N2CCN(CC(=O)NCc3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301473443 CGBHKEYANRLGQQ-RUZDIDTESA-N 468.602 1.943 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](CN2CCOCC2)C1 1301492673 MTTRFCKWKRBFQO-GOSISDBHSA-N 470.574 1.423 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1301509318 FYBXSWXTMPQKEC-MSOLQXFVSA-N 489.621 1.832 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1303469331 DUWDOYKFBYCVAS-SFHVURJKSA-N 480.616 1.158 30 10 JDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1314939089 HAEABJXPFGAAIQ-KRWDZBQOSA-N 450.503 1.858 30 10 JDEE CN(C)C(=O)CN/C(S)=C(/C(O)=C1C=CC(=NS(C)(=O)=O)C=C1)[n+]1ccc2c(c1)CCCC2 1318476261 AYWSQECROZERAC-UHFFFAOYSA-O 489.643 1.925 30 10 JDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1358929305 XARDRDVVSDLTBV-UHFFFAOYSA-N 486.646 1.631 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1358956433 FVQIGTCYGWWALG-LAUBAEHRSA-N 461.975 1.704 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1Cc1ccc(C(N)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1358959120 CBBUHBKLNFAFKY-GOSISDBHSA-N 450.524 1.114 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1358962795 XFZSNNRVIPVSOS-SFHVURJKSA-N 496.593 1.999 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(C)COCCO2)CC1 1359042891 XYYQWQREEPAMKJ-RUZDIDTESA-N 483.569 1.734 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCCNC(C)=O)CC1 1359047066 PSVCNTYBIDAPTJ-UHFFFAOYSA-N 452.559 1.658 30 10 JDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1359059544 QTTZFEFXWMJYCJ-UHFFFAOYSA-N 480.642 1.530 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)nc1 1359277338 JIVPAWHPBWMDNU-QGZVFWFLSA-N 470.555 1.551 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359292202 KBRHNXDBBMGCIR-ZWKOTPCHSA-N 483.573 1.675 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359329337 GDKDQJGHTVTVCJ-IBGZPJMESA-N 484.582 1.435 30 10 JDEE N#Cc1c[nH]ccc1=NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1359879746 CCQMJRSBNSMMEG-UHFFFAOYSA-N 451.302 1.411 30 10 JDEE C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)Oc1ccc(F)cc1 1360568670 DLFNVIMTLMOCOI-FQELHTAISA-N 496.540 1.660 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1507538647 OENYDPJKOXJBAH-XCDZQEORSA-N 493.630 1.663 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@@]2(O)CCOC2)c1 1507549352 GGFZLAJWUYRCCH-ZEQRLZLVSA-N 469.542 1.138 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1507625324 ICABLCRMNGMUHB-HYBUGGRVSA-N 493.674 1.820 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(F)(F)C1(OC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1507631682 FXEBHKOPTLIBBC-SJORKVTESA-N 488.557 1.240 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1507659056 UJCHIJMAJXSIHJ-LJQANCHMSA-N 484.568 1.889 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1cnc2ccccc21 1507710957 MQUMQDFQGFIHLW-SFHVURJKSA-N 456.572 1.706 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCCN2CCOCC2)CC1 1507717433 CNCCNNRBCYFUAR-UHFFFAOYSA-N 468.602 1.830 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCNS(=O)(=O)CC)CC1 1507733177 ZCYAWEXLFXJCFJ-UHFFFAOYSA-N 466.995 1.205 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(C(=O)NC)c2)CC1 1507739150 NMBHRGVBGOPGFM-OAQYLSRUSA-N 464.570 1.546 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1507740874 QGSHAGCLKPJUCG-AREMUKBSSA-N 462.598 1.898 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1508098748 RGJVOVTUQVNTNR-SBUREZEXSA-N 478.594 1.678 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(N(C)C)CCSC2)C1 1508124855 MUGWDGPOGVZRMX-SQGPQFPESA-N 455.650 1.399 30 10 JDEE C#CCN(C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[C@H]1CCCc2ccccc21 1538322645 WTBFVKIQEJLCCR-QFIPXVFZSA-N 451.548 1.960 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539201706 BYQHSIJDGASTHG-LJQANCHMSA-N 486.598 1.759 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1539204644 AWUXOCZTHNUHAG-OALUTQOASA-N 490.607 1.668 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)c1ccccc1 1539265647 IGWZFHCDWQIXAE-FPOVZHCZSA-N 455.584 1.878 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCN(C)C1 1539392354 PNNXFULGZHWLQG-XMSQKQJNSA-N 461.563 1.026 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCC2CCN(CC(F)(F)F)CC2)CC1 1539428117 NDHQQBBZKCZJPK-UHFFFAOYSA-N 481.567 1.934 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCOCC)CC1 1539468687 HKYVNGCCQWYFDW-UHFFFAOYSA-N 487.630 1.549 30 10 JDEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1)c1ccccc1 1539766634 BRBXWVMBWUTSJH-MOPGFXCFSA-N 479.628 1.412 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nc(C)no1)C1CC1 1540107850 DKNIVRLNIQRCTQ-INIZCTEOSA-N 451.553 1.090 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1540867337 RYHXYYLJZRYNGB-SFHVURJKSA-N 458.588 1.560 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCc1cnccn1 1540869529 PIPGQGUMOIJKDO-UHFFFAOYSA-N 473.541 1.446 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCS(=O)(=O)N(C)C)C1 1540884604 RPIUTOHXHVEYKG-AWEZNQCLSA-N 473.397 1.708 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2CCN2CCCS2(=O)=O)C1 1540896731 SEQGUWKBEDHVGM-HXUWFJFHSA-N 461.588 1.982 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCO1 1540904003 JKUKYCSBAOLFHD-MSOLQXFVSA-N 499.634 1.803 30 10 JDEE C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1)N1CCOCC1 1541909331 BQAVPJFOGXLWLU-DLBZAZTESA-N 461.592 1.117 30 10 JDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCN(C)CC(F)(F)F 1543504747 AJLUDTYWQOTRTI-HNNXBMFYSA-N 465.480 1.890 30 10 JDEE COc1ccccc1C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)CC1 1555037466 CCVAZAHWYDPUJU-XLIONFOSSA-N 488.614 1.947 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1587766863 ZRKRXQICACOMNX-NHCUHLMSSA-N 462.664 1.588 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCN1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 1588060089 ZDIQXVNPKNOPMN-HXUWFJFHSA-N 489.617 1.482 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CC(F)(F)C1(OC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1588064255 DWFAGRRWNMLJSQ-KRWDZBQOSA-N 472.558 1.688 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1588065410 YESZZXHMUGJYKI-WHUARKNTSA-N 490.651 1.610 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 1588069535 QCBNIUGOMSJOPC-JOCHJYFZSA-N 482.610 1.961 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCN(CC)C1 1588099623 SOJJWBCMJGHJBO-IBGZPJMESA-N 454.600 1.610 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@]2(N(C)C)CCSC2)CC1 1588930380 UYDNCNVWECKKBH-CVDCTZTESA-N 460.648 1.575 30 10 JDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1589484947 WKQVGJFNXDIBGZ-OAHLLOKOSA-N 462.352 1.859 30 10 JDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)Cc1cccc(F)c1)C1CC1 1595054345 HJUHLDGLHGILMT-QGZVFWFLSA-N 461.563 1.833 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccccc1)C1CC1 1595054978 WGTPBIQVABRTEL-UGKGYDQZSA-N 461.588 1.674 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](C(=O)NC)C1 1595501507 WLWCZVMTZVRNSQ-LLVKDONJSA-N 469.365 1.023 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1595577553 WYPCVWQKQKSOIE-LJQANCHMSA-N 479.585 1.720 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)CC1 1595805434 OWCAMMPBTOCXLH-UHFFFAOYSA-N 451.980 1.792 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1595812506 WMBKUVXGMHKLSR-AZUAARDMSA-N 460.604 1.022 30 10 JDEE CN1CCN(S(=O)(=O)c2ccccc2CNS(=O)(=O)CC2(C#N)CCCCC2)CC1 1621781249 CZFZDYMOIGRGBV-UHFFFAOYSA-N 454.618 1.516 30 10 JDEE CN1CCN(C(=O)C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CC2)CC1 1624539127 DKYUJKGVVWVXGY-SFHVURJKSA-N 457.962 1.577 30 10 JDEE C=CCOC[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1)C(=O)OC 1634058359 AJWZINFXSRCOGN-OALUTQOASA-N 452.529 1.293 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@H]2COCCO2)c1 1689873428 IHKZETQFRSIURN-IBGZPJMESA-N 494.577 1.741 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCN2CC)c1 1689873784 WSKFTFYJPTZQLT-NRFANRHFSA-N 463.586 1.941 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC1(C)C 1690104384 VHFWYYRXIGCFMX-ZWKOTPCHSA-N 453.609 1.523 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC2CCS(=O)(=O)CC2)CC1 1690148358 DNLXZGMXIRUBRE-UHFFFAOYSA-N 483.638 1.968 30 10 JDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690163714 OJYYTJQFBUDUCZ-UHFFFAOYSA-N 459.963 1.881 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2csc(C)c2)C1 1690699397 DUZMUJDIWYGCPQ-QZTJIDSGSA-N 467.617 1.811 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CN2CCOCC2)CC1 1690720802 SOSITNYUBYWMPZ-UHFFFAOYSA-N 484.626 1.966 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCO2)c1 1705503753 DBTOKLVRHMTHQR-YJBOKZPZSA-N 460.560 1.124 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705568019 FUHFPCOWIMFRFQ-IBGZPJMESA-N 498.609 1.518 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(NC(=O)C3CCC3)c2)CC1 1705632242 KFRGOQJXPCINHH-UHFFFAOYSA-N 463.586 1.958 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1705646306 VRUJDTLZHAGMIJ-LJQANCHMSA-N 494.596 1.414 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1705659345 SNYZGTZBGBNNQM-FQEVSTJZSA-N 487.674 1.366 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1705661783 IXEFSNZLNCRQFG-QZTJIDSGSA-N 467.661 1.679 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705898102 ASJKIXXRUVCSSJ-UHFFFAOYSA-N 462.576 1.022 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1705936751 XUTKDRVVSPCIFO-RBUKOAKNSA-N 463.608 1.508 30 10 JDEE CC(=O)N1CCN(CCn2c(CC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CC1 1706005994 VUHYQFVDBLPSLW-UHFFFAOYSA-N 452.563 1.176 30 10 JDEE CCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1709822168 IAAMIKXIHVLPJG-UHFFFAOYSA-N 459.576 1.109 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCN2CCOC(C)(C)C2)c1 1722308464 APZJYYLLMORKGV-UHFFFAOYSA-N 476.585 1.846 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1722361665 ISTZWFJVORSXSF-QGZVFWFLSA-N 453.553 1.652 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1722370981 GPULEVIHBHOKPL-OAHLLOKOSA-N 462.601 1.094 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OCC)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1722371486 WUMKGVJSIKGJKC-LJQANCHMSA-N 484.582 1.664 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCCS1(=O)=O 1722376264 ZJFZPTFVPQCBPH-IBGZPJMESA-N 460.581 1.389 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2ncccc2c1 1722395886 CQVNSJIGHLPEAB-JOCHJYFZSA-N 478.578 1.670 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[C@]3(CCOC3)O2)CC1 1722441935 XASONMFICRAASZ-NTKDMRAZSA-N 472.590 1.110 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nccc(C(F)(F)F)n1 1722467977 YLJFSADBHRCIBZ-FZKQIMNGSA-N 471.509 1.932 30 10 JDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1722481666 HQKWDSWITMYXOY-AWEZNQCLSA-N 461.368 1.433 30 10 JDEE C=C(Br)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722488722 KAKNQSCBJDQTCX-UHFFFAOYSA-N 491.365 1.844 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnc2n1CCC2 1722662139 VMNIXBLNDRVTOP-CQSZACIVSA-N 462.605 1.728 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@H]1C 1722681097 GLDPOGSURQHHCO-IUKKYPGJSA-N 481.594 1.765 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CCCc2c1cnn2C 1722729932 BSDYFNMFCKKRCR-IBGZPJMESA-N 472.619 1.988 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccs1)N(C)C 1722867501 GTJUXHNHENDFTL-ZACQAIPSSA-N 481.648 1.571 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOCC)c1 1740564390 LKKHZKINPFOVQT-SFHVURJKSA-N 459.572 1.663 30 10 JDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCOC)[C@H]1CCS(=O)(=O)C1 1740616248 WSVTYSJVCGVFQV-KRWDZBQOSA-N 465.963 1.135 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1740619283 HFJPQBWOWGDOFK-ZWKOTPCHSA-N 460.556 1.768 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740620914 HVZOLRFLYPWIMD-DENIHFKCSA-N 460.604 1.637 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1740624366 FWMUFNBXCWMEBZ-RXVVDRJESA-N 464.975 1.300 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1740640306 KKAXYLJLFJDGCW-RLSLOFABSA-N 485.585 1.997 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CC1 1740640778 WCINNUYFUUCXQN-KRWDZBQOSA-N 477.587 1.237 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CN1CCCCC1 1740671580 KFVJLOOFGUWYAC-MOPGFXCFSA-N 452.625 1.193 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)C(=O)NCC)CC1 1740708407 OINIFRNOTDTPSA-UHFFFAOYSA-N 499.641 1.398 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCOC[C@@H]2C)CC1 1740710533 YMEVMXRFZJHTNH-NRDMVMEKSA-N 459.591 1.641 30 10 JDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1740737518 POUSABKUTZHLPZ-HNNXBMFYSA-N 490.424 1.453 30 10 JDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1740745009 JZAFLCKXBIVJCH-QKPAOTATSA-N 490.424 1.381 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C(C)C)N1CCOCC1 1740774482 TWQBERVFXAAQSX-UXHICEINSA-N 484.667 1.370 30 10 JDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(-n2cncn2)nc1 1740893497 MHSKOYZXWAELHA-UHFFFAOYSA-N 450.528 1.995 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740954791 GTDZHUFPSIMYSO-FQEVSTJZSA-N 497.556 1.031 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2nccnc2C)CC1 1740961143 NBGGHCIDIDJFNT-UHFFFAOYSA-N 450.522 1.735 30 10 JDEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC1(O)CCS(=O)(=O)CC1 1742825169 ARUAUTPDQUKMSX-UHFFFAOYSA-N 458.588 1.110 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C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccsc1Br)[C@H]1CCS(=O)(=O)C1 1300491882 JLUITGIIBWOPTL-KBPBESRZSA-N 498.428 1.728 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(COC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1300496317 PQCBMYFZAVVYKV-MOPGFXCFSA-N 466.604 1.242 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCc2ccccc2C1 1300671678 MFSHMYDEEIEQKH-JOCHJYFZSA-N 471.627 1.715 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1300764287 VVPNVJFXDTZYJT-IBGZPJMESA-N 474.612 1.485 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1300885121 NZWHMYVWVHTVDQ-LMMKCTJWSA-N 453.609 1.623 30 10 JDEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CC1 1300910661 BDDXKRBYMYVMQK-IBGZPJMESA-N 497.600 1.181 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1301491496 RNMXSKLXUWPVHR-QGZVFWFLSA-N 461.592 1.406 30 10 JDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1301509941 RDHGHCPSQUEMBU-SFHVURJKSA-N 456.572 1.597 30 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XNWORDKVCCGYRB-FQEVSTJZSA-N 486.536 1.693 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1358960932 OPNUEDFACHZXSV-INIZCTEOSA-N 478.500 1.965 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358961856 GLZIKDIWVPCJJP-BZSNNMDCSA-N 476.628 1.220 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358962484 QPRQPPFSQXCGNH-CYBMUJFWSA-N 473.477 1.975 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1358964370 XXRCPPGKNHZCKH-FQEVSTJZSA-N 457.600 1.706 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1358964878 JDAYLWYUGSHKOQ-RBUKOAKNSA-N 450.536 1.296 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(C)cc1 1359010816 ZXHXMWWRYPOVGB-UYAOXDASSA-N 461.588 1.846 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)C1CC1 1359025752 XWRYBDAMBGQYGO-MBSDFSHPSA-N 463.579 1.834 30 10 JDEE 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470.553 1.622 30 10 JDEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C[C@@H](C)O1 1514179947 HRHVLEWGPYVUOR-UYAOXDASSA-N 468.558 1.981 30 10 JDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H](C)C#N 1517426942 FOEJOWRYDZXNFP-HNNXBMFYSA-N 461.592 1.563 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H](C2CCC2)C1 1539072880 XYGILAQKWBJWEW-PMACEKPBSA-N 465.620 1.667 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCOC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539204040 YBFYNSIIVUIPFQ-QGZVFWFLSA-N 451.593 1.392 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1539204606 AQNMQYMEOKVVAF-SVMVAKDDSA-N 468.620 1.570 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1539218882 AHJCNBRAHVVPFT-XYPHTWIQSA-N 460.560 1.264 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CC[C@H](C(F)F)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539226232 VXUZHUJURGXCJY-QZTJIDSGSA-N 471.574 1.213 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)CCCO2 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499.501 1.647 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCC1 1760241140 PZJNTOGUOIYZBN-GOSISDBHSA-N 459.547 1.975 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(C(=O)NCC)c2)CC1 1760255824 ASJBKQJMMHIGHX-AREMUKBSSA-N 480.613 1.872 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1760321093 BNCBSMSMUAJZRC-QUCCMNQESA-N 455.625 1.699 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1760358412 VXSWFSLLBHUDDN-FHWLQOOXSA-N 469.608 1.067 30 10 JDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760378891 AURRVKRVGQRJFK-UHFFFAOYSA-N 455.954 1.713 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1760556313 ZQTVOOCTTBUUGN-MSOLQXFVSA-N 453.609 1.514 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1760557084 ZSPFIWFVCWDCLG-RBUKOAKNSA-N 473.599 1.726 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CCC1(O)CCOCC1 1769818650 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467.397 1.825 30 10 JDEE N#C[C@@H]1CN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CCN1Cc1ccccc1 2249450401 MEXGIFQRRFYHFO-NHCUHLMSSA-N 486.550 1.406 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Oc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2254762609 XOXIDZXCUCFRPW-HUUCEWRRSA-N 454.354 1.450 30 10 JDEE Cn1nc(C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255816575 HVLSRYLTUFRLJJ-NSHDSACASA-N 456.736 1.653 30 10 JDEE CC(C)(C)OC(=O)N[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)[C@H]1CCOC1 2256674908 MYBLIYRJHPGYLH-RYUDHWBXSA-N 454.358 1.128 30 10 JDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2266985553 WZXRHUSPKQPFBY-UHFFFAOYSA-N 450.316 1.837 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@]12COCCN(C(=O)C#CB1OC(C)(C)C(C)(C)O1)C2 2267103703 MCWDPGODODYTHH-QFIPXVFZSA-N 450.341 1.486 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2267367019 NRGGKWAADBJMEG-KGLIPLIRSA-N 470.401 1.443 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@]23C[C@H]2CN(Cc2ccccc2)C3)n1 2267471769 KFYKFWJWRLILIF-JTSKRJEESA-N 458.393 1.272 30 10 JDEE CN(CCCCN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)OC(C)(C)C 2267595092 CEZYJYVANWMXCZ-UHFFFAOYSA-N 451.377 1.833 30 10 JDEE CC(C)(C)OC(=O)N1CCN(CC(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2268634773 KJRQYJUCTPEPSO-UHFFFAOYSA-N 466.413 1.611 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)n1 2281952109 RXBPAUDMLGTISJ-SHTZXODSSA-N 463.388 1.928 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 2282004365 IZFASQKXCSBEAD-UHFFFAOYSA-N 458.290 1.558 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCCC1CN(C(=O)OC(C)(C)C)C1 2282331473 NXKWGCKENYMSTE-UHFFFAOYSA-N 484.428 1.645 30 10 JDEE CC1(C)OB(c2cncc(S(=O)(=O)NC[C@@H]3CCCCN3C(=O)C(F)(F)F)c2)OC1(C)C 2282408451 IGATYMNKRSBYMI-AWEZNQCLSA-N 477.314 1.603 30 10 JDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(NC(=O)[C@@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)c1 2284049388 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C#CCNC(=O)CN1CCCN(S(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)CC1 1210111946 OMLSYBVBQAAXCM-UHFFFAOYSA-N 453.511 1.662 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CC1(N(C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286387011 MFGOMDBKTNVFFN-LJQANCHMSA-N 458.588 1.078 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(OC)c(O)c1)[C@H]1CCS(=O)(=O)C1 1286390620 COBFNIBTQBIJSL-IBGZPJMESA-N 467.551 1.653 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286394221 HUQGLYHITJFZCR-QPPBQGQZSA-N 482.610 1.674 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286394223 HUQGLYHITJFZCR-XUZZJYLKSA-N 482.610 1.674 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(N(C)C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1286396940 ZAJSYTDQJYOHGL-FQEVSTJZSA-N 472.615 1.001 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1286398694 MOLYWFSEPZAHDH-UHFFFAOYSA-N 450.518 1.611 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1COCCO1 1286458191 MHRQVHUIGDLKQR-UYAOXDASSA-N 462.547 1.765 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)O)CC1 1286495519 YFWNXRXQDAEDMU-HDICACEKSA-N 474.606 1.786 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1286782392 SOZKKBMPHUDURI-LJQANCHMSA-N 490.612 1.688 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1286804369 MVKBDNALZOPULJ-UEXGIBASSA-N 454.593 1.536 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1286817310 SPIFHLYVVCUHCM-UHFFFAOYSA-N 470.555 1.805 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(C(C)(C)C)CC1 1286820557 NDIZOCODWCQSBU-INIZCTEOSA-N 456.634 1.964 30 10 JDEE C#CCN(C(=O)CSCC(=O)Nc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1291928385 JYAUUCXOMKATDD-OAHLLOKOSA-N 459.387 1.770 30 10 JDEE CCCN1CC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1294655248 AKRDDHCHWPGIOA-IPJJNNNSSA-N 479.651 1.473 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1296248700 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C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@]2(O)CCN(C)C2)CC1 1359043352 QYQHLCARBHXFJJ-QHCPKHFHSA-N 456.978 1.631 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1359092240 YOKDSFSDVHDHEF-MLYOOKFZSA-N 480.635 1.461 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1359100214 YNIQTQVMWOCCGR-WCIQWLHISA-N 479.647 1.902 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359101981 VBQIZWWNFUEGDB-CTNGQTDRSA-N 460.604 1.717 30 10 JDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359122362 NOTKWJDVWWZWRD-HZPDHXFCSA-N 455.581 1.786 30 10 JDEE C=C(Cl)Cn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359157934 YMSZNDLDISVDTJ-UTKZUKDTSA-N 453.971 1.899 30 10 JDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359238409 KBWOKWHUQBXUIK-MRXNPFEDSA-N 471.587 1.579 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCc2ccccc2C1 1359240268 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457.623 1.964 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1595335314 QGDAWTLFIUQDPR-UHFFFAOYSA-N 475.619 1.965 30 10 JDEE CCOC(=O)[C@H]1S/C(=N/C(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)N(C)[C@@H]1C 1613976244 ZGFQUAXHERJPHV-KHDQXZKSSA-N 483.612 1.977 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1619899679 FICIODXNQGENPJ-REWPJTCUSA-N 489.598 1.594 30 10 JDEE C#CCN(C(=O)N[C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1629538952 WCRRGRULWVMNNR-SJLPKXTDSA-N 455.602 1.610 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC23CN(C(=O)OC(C)(C)C)C3)ccc1F 1653856514 MHQCMHUIHGJBML-UHFFFAOYSA-N 455.508 1.709 30 10 JDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC12CC(NC(=O)OC(C)(C)C)(C1)C2 1689945676 HSSKQYHZFNJKQR-WPUWVODUSA-N 452.581 1.405 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2OC)CC1 1689966716 ZWMDXICKBHBHRW-LJQANCHMSA-N 459.572 1.421 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 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C=CCO[C@H]1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCS(C)(=O)=O)C1 1690697045 NRSVBLFWXCWCIH-KRWDZBQOSA-N 486.598 1.891 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1690724336 MSFRLAHGBBEWDL-AEFFLSMTSA-N 450.565 1.084 30 10 JDEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1 1693874629 FQCNUPMXVKUTSD-NQYLQCIDSA-N 478.347 1.888 30 10 JDEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 1696205848 HJXNRTRFVLPABM-WYTFLKLQSA-N 454.531 1.326 30 10 JDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)CCN1S(C)(=O)=O 1698456634 BBGQPHCPFVAWFL-KRWDZBQOSA-N 484.586 1.175 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1698487243 FNLPBKUAAQEQOK-YLJYHZDGSA-N 499.515 1.914 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1705559230 VBMQUNOZDKWKKH-SFHVURJKSA-N 457.556 1.198 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CC[C@@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705564760 PWNWEWRBRUXDBV-GDBMZVCRSA-N 457.478 1.934 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1705565504 IRIZICWCGSIADT-HKBOAZHASA-N 479.647 1.503 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1705570416 MZLMQJSQXGOTHY-ICSRJNTNSA-N 476.624 1.239 30 10 JDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1705575082 XGAFYJQIUOLTHY-IMSXRSKXSA-N 489.642 1.596 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC1CCN(C(=O)OC)CC1 1705595894 KKTXLIRHPQKJDZ-UHFFFAOYSA-N 452.515 1.947 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1N1CCOCC1 1705598297 GMUSGQDIVCDYSX-NRFANRHFSA-N 467.595 1.528 30 10 JDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705605307 HKRXHFYLVFMOHL-JTAQYXEDSA-N 479.647 1.982 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2c(C)noc2C)CC1 1705644491 RYIVQXZQIHHMDQ-UHFFFAOYSA-N 462.514 1.544 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCSC2)CC1 1705648751 XWNHKGUKWSRBHE-WMZOPIPTSA-N 465.645 1.289 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC(=O)NCC(F)(F)F)CC1 1705648987 GFHTYDUVVDWWDQ-UHFFFAOYSA-N 478.475 1.598 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1705699829 MBTLJMRCPBOGOW-KPFFTGBYSA-N 480.635 1.461 30 10 JDEE C=CCCOCCn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705832708 FZYGDVUWJDCVIW-FCHUYYIVSA-N 468.620 1.926 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCO[C@H]1C 1705868063 AJRJDDXMAYFGSM-DJPFJPOOSA-N 497.643 1.405 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705900281 XQGWDQSBRDUORE-UHFFFAOYSA-N 467.574 1.000 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705901203 DVXPATDUEJUCBY-SJLPKXTDSA-N 466.498 1.263 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)cc1 1705910228 VUIBXAPYZSYBMA-SFHVURJKSA-N 494.600 1.871 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C(=O)NC 1705938701 HOAXMQRUOWMBND-IRXDYDNUSA-N 498.650 1.769 30 10 JDEE COc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCC(=O)N2CCOCC2)cc(OC)c1OC 1711641722 ANKUEXCAFAKMRY-INIZCTEOSA-N 472.546 1.816 30 10 JDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1712320222 GJPSARWPVBXRGM-HSZRJFAPSA-N 466.521 1.860 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CN(CC)CC 1722294019 FOLVQIGLNRTJSV-SIKLNZKXSA-N 488.658 1.959 30 10 JDEE C#CCCCn1c(COCC)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1722339659 XHADIWSNMOLGJU-IXDOHACOSA-N 467.592 1.355 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722362423 ULPNDPFYZHVOAB-HKUYNNGSSA-N 456.572 1.806 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1722363519 AAOPSULUSPQMFJ-HXUWFJFHSA-N 464.551 1.038 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722366283 HLFFETXRZAIJOC-CYBMUJFWSA-N 489.476 1.559 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(S(C)(=O)=O)CCC2)CC1 1722431782 SIDPUCOPLWYYBP-QFIPXVFZSA-N 465.620 1.041 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCN2CCCCC2)CC1 1722433942 JFXRUYMAIPGRFQ-UHFFFAOYSA-N 485.658 1.437 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCN(CC)CC)CC1 1722438559 ZCGXVWZJVLUJHY-UHFFFAOYSA-N 465.650 1.939 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(C)CN(C)C2=O)CC1 1722442919 IIZSNIBIOCEUER-RUZDIDTESA-N 480.569 1.406 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2conc2COC)CC1 1722453567 YCNIMAFNTQCAGN-PXNSSMCTSA-N 472.546 1.151 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2ccnn2)CC1 1722490602 BCYYUNNDWDCRDW-WDSOQIARSA-N 478.623 1.378 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 1722523422 SVESVCHSVKJPCA-FQEVSTJZSA-N 490.630 1.915 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cn2cccn2)C1 1722582885 LIJAARTVOFYEGN-IRXDYDNUSA-N 451.597 1.593 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722700769 TYARTOWFRWUTIU-INIZCTEOSA-N 452.519 1.096 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCCN(CC)C(=O)C2)cc1 1722704773 OKANVDQGORCWQP-LJQANCHMSA-N 473.599 1.852 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1722731980 SKGUYWCOVXQERB-OAHLLOKOSA-N 451.524 1.264 30 10 JDEE Cc1ccc(S(=O)(=O)NCCn2c(CN3CCCC3=O)nnc2N2CCC[C@@](C)(C#N)C2)s1 1724450597 HRUKEYOZDSJIFM-NRFANRHFSA-N 491.643 1.879 30 10 JDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)CC1 1730420408 GUTJRJGVXFNLJR-UHFFFAOYSA-N 497.600 1.135 30 10 JDEE COC[C@@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1730452949 FVSSZBVEFSUUGM-LPHOPBHVSA-N 462.576 1.402 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CN(C)C(C)C 1740552716 OXXWQLXLJMHAJI-KNQAVFIVSA-N 488.658 1.957 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)CN1CCOCC1 1740553665 TUALONPNUPZFJD-WOJBJXKFSA-N 452.607 1.878 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1740581021 NIVMKIJRUZCBGT-DLBZAZTESA-N 478.623 1.691 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2F)CC1 1740589913 CMQQTIUCGWEKRU-FQEVSTJZSA-N 476.578 1.490 30 10 JDEE C#CCCCn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740596369 CMLJDNLJOPCVAM-IZAXUBKRSA-N 499.616 1.389 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1740619947 RQOKGMMZGPMXDU-MOPGFXCFSA-N 459.572 1.732 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CC1CCS(=O)(=O)CC1)[C@@H]1CCS(=O)(=O)C1 1740620778 RKQOAFNYRPATIF-LJQANCHMSA-N 462.597 1.397 30 10 JDEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1740674790 TVKULXPESWZZKT-LJQANCHMSA-N 483.388 1.629 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1740702023 HDOVHJYVCUPKBO-QGZVFWFLSA-N 470.540 1.805 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1740810522 DJGDLFNYCXEJIV-AWEZNQCLSA-N 468.967 1.628 30 10 JDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCOCC1 1740900326 PFLNGVLVCQPWOQ-SFHVURJKSA-N 450.584 1.931 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)N1CCOCC1 1740917645 ZDIAYSORNNGUGJ-GMAHTHKFSA-N 480.569 1.925 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN2CCOC[C@H]2C1 1740953091 VKWKSOOSRPUDDC-QGZVFWFLSA-N 461.364 1.531 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC(=O)N(C)C[C@@H]1C 1740956133 HPGNAHRBTBJHPL-LBPRGKRZSA-N 465.327 1.816 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1748643903 ZBHQLAKWIGVGAG-NBGIEHNGSA-N 466.586 1.737 30 10 JDEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1748758331 ZJZPBJXKGOGJFW-XMMPIXPASA-N 479.629 1.398 30 10 JDEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1748762984 VSYOLSWZDFTHBL-UHFFFAOYSA-N 494.625 1.759 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1748805750 VQDIYMMQHYKOKD-SXWKCWPCSA-N 479.647 1.431 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccccc2C(F)(F)F)CC1 1748977901 LSOBQXTXMKEHGL-MRXNPFEDSA-N 484.548 1.905 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749353786 ATQQAGVKIZOULK-IBGZPJMESA-N 476.622 1.875 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1749658373 OJQWRMYFMLHHGO-QGZVFWFLSA-N 491.478 1.771 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1749664270 IZMGFHKEEBGWIW-ICSRJNTNSA-N 454.575 1.803 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1749676543 UQBRHPVGDIYAHW-MRXNPFEDSA-N 451.535 1.141 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1749681212 YLHBPVGUASTQHA-UHFFFAOYSA-N 460.922 1.892 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1749708400 JZESLBNKNKTCLG-MOPGFXCFSA-N 461.588 1.910 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1749736634 MSIOSKZMCVSYSK-HNNXBMFYSA-N 451.980 1.790 30 10 JDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1749746498 ZRNRCSUBUXNDPJ-UHFFFAOYSA-N 486.623 1.924 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1760154226 BYSKYRBITRGHIM-IRXDYDNUSA-N 480.616 1.367 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)CN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1760188989 FAARXBQUQJRGHX-JTHBVZDNSA-N 499.685 1.164 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1760191782 NEOABEDJCNOGFN-HSZRJFAPSA-N 483.638 1.949 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCS(C)(=O)=O 1760218433 GQMLTXITYQANDQ-UHFFFAOYSA-N 455.588 1.350 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1760258746 RFABDAJYPCLPNH-XTQSDGFTSA-N 461.526 1.235 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCCCCCO)CC1 1760268366 INFJCVSYMLJYQV-UHFFFAOYSA-N 456.547 1.524 30 10 JDEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760311770 ADIFZQGVKZKTCM-CQSZACIVSA-N 463.336 1.988 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1760396931 LIVVSNLZSCOLKK-OAHLLOKOSA-N 467.617 1.743 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1760552494 PXDIHJKBGWKYOI-UHFFFAOYSA-N 489.690 1.879 30 10 JDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1769324784 BTZYNTWWAIUJIH-QGZVFWFLSA-N 459.576 1.061 30 10 JDEE C=CCN1C(=O)C(Nc2ccc(S(=O)(=O)NC(C)=O)cc2)=C(c2ccc(OC)cc2)C1=O 1863320830 FXHIWUAHDMEFPU-UHFFFAOYSA-N 455.492 1.898 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CC)c(CN3CCC(O)CC3)cc2=O)nc1C 1870323199 LAISPLFNVVNMRG-UHFFFAOYSA-N 490.582 1.950 30 10 JDEE C=CCn1cc(OCC(=O)Nc2ccccc2C(=O)OC)c(=O)cc1CN1CCN(CC)CC1 1870741991 MGSQWHJCAMRTGR-UHFFFAOYSA-N 468.554 1.976 30 10 JDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cc(-n4cccn4)ccn3)CC2)CC1 1889484042 GPCLKAAXRRXXDZ-UHFFFAOYSA-N 450.587 1.918 30 10 JDEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C#CCN(C)C)cc1 1891787264 HLISYEUWYIPJKY-HXUWFJFHSA-N 451.589 1.140 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 1892797975 NBPFDFQOUXBTKB-XUWVNRHRSA-N 470.397 1.571 30 10 JDEE Cc1nc(I)c(NS(=O)(=O)CC#N)c(I)n1 1984096056 YWMJHQFLKRVMBI-UHFFFAOYSA-N 464.026 1.260 30 10 JDEE CC(C)(C)OC(=O)NCCOCCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255948264 JTXCIADSSCREFS-UHFFFAOYSA-N 476.426 1.867 30 10 JDEE CC(C)(C)OC(=O)N1CCC2CC1(C(=O)N=c1nc(B3OC(C)(C)C(C)(C)O3)[nH]s1)C2 2256679734 YYSDLWWLTXJODZ-UHFFFAOYSA-N 450.370 1.987 30 10 JDEE C[C@H]1C[C@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN1Cc1ccccc1 2267417622 DKOMFSIHSWPDEA-WMZOPIPTSA-N 460.409 1.661 30 10 JDEE Cn1nc(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267502948 VVZUAGXMEAMZCU-UHFFFAOYSA-N 472.779 1.332 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@H](F)C1 2267871994 RACKRFRAVKVZFI-KGLIPLIRSA-N 450.320 1.853 30 10 JDEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2281811252 BJZONKDNSKTLTJ-OAGGEKHMSA-N 464.372 1.520 30 10 JDEE COCC[C@@H](CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2282291386 GNEVGIPNTZJIOX-INIZCTEOSA-N 485.412 1.589 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 2282342142 CREPMCIROCDQGS-CABCVRRESA-N 484.428 1.834 30 10 JDEE CN(Cc1ccccc1)[C@@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C1CC1 2282352039 JHTIDHYVPRSVKS-FQEVSTJZSA-N 474.436 1.908 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 2282497833 VLGKQCCURNTDOS-OAHLLOKOSA-N 484.428 1.645 30 10 JDEE CCn1cc(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)[C@H](C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282539605 WZZGRPFQUQRCBA-CHWSQXEVSA-N 458.290 1.731 30 10 JDEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282576740 VFEGYUOWCRTGAB-DYEKYZERSA-N 458.290 1.637 30 10 JDEE 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C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)N1CCOCC1 1286461560 ZXJIKKIALFGBRF-GOSISDBHSA-N 461.588 1.155 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](CC)OC)CC1 1286478455 AXAGJNVPRBHTRK-MOPGFXCFSA-N 462.595 1.767 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1286487662 XGBRPIBWCJVGAC-UHFFFAOYSA-N 457.600 1.960 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCC(C)CC2)CC1 1286490210 ILXXJHUMWSANBI-OAQYLSRUSA-N 469.634 1.707 30 10 JDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286506700 KYPLVMYQOQXDQK-JBACZVJFSA-N 460.648 1.875 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCCS(C)(=O)=O 1286555088 JRZLIDKSQWKKGU-BBWFWOEESA-N 460.622 1.032 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(C(C)=O)C1 1286581142 GTFPROLJJINPMS-RBUKOAKNSA-N 468.624 1.272 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1286599721 CFRJZOVPABSHNX-MAUKXSAKSA-N 466.612 1.531 30 10 JDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1286600673 DDXZBVWLSPTTPG-KRWDZBQOSA-N 459.620 1.882 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)Cc2cccc(F)c2)C1 1286810195 OIOGBMZVXVTHHV-UYAOXDASSA-N 491.589 1.460 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1286820878 UNOJXBXWATYXTE-OPYAIIAOSA-N 454.593 1.547 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCS1 1288868753 FVGOKJOFQNJJKV-XLIONFOSSA-N 489.671 1.978 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cccs2)C1 1296328631 DKGSELOBFXQYAW-GOSISDBHSA-N 499.622 1.826 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccn(-c2ccc(F)cc2)n1 1300270803 FJWOCZSTZXNVOO-CVEARBPZSA-N 459.551 1.914 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CCN2CCN(C(C)=O)CC2)c1 1300332313 BVJGMIHPBSDAFQ-UHFFFAOYSA-N 463.586 1.766 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1300480143 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C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 1359292839 YYJLYKQFRYDNCW-HOCLYGCPSA-N 476.559 1.261 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1359297233 JWNQDNSOISBUOK-UHFFFAOYSA-N 480.960 1.721 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1359301331 WUUFOOYGSBEADE-FQEVSTJZSA-N 481.601 1.407 30 10 JDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359303112 DPOYCCLREVFCDP-QHCPKHFHSA-N 457.600 1.771 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(F)ccc2OC)C1 1359313637 PHNDXGDLCKUDEN-RHSMWYFYSA-N 453.540 1.866 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(=O)NCC)c2)C1 1359325154 ZHLSVYJJHQUUCL-FQEVSTJZSA-N 452.559 1.980 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1359333896 NGSIZHKDLBGXBL-UHFFFAOYSA-N 494.621 1.888 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)n1 1476235261 JTHLOGGCFGAARG-ROUUACIJSA-N 457.535 1.029 30 10 JDEE 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C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1539229485 DWRXNVSYJDYXJX-SFTDATJTSA-N 490.651 1.515 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCC(C)CC1 1539369356 KMJXKJDHCZNNLP-HXUWFJFHSA-N 466.652 1.583 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2COCCO2)CC1 1539488774 OHAHSZLIFBBIBN-NRFANRHFSA-N 453.543 1.547 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(OCCN(C)C)c1 1539538101 CENPHRQADJJTNF-FDDCHVKYSA-N 474.631 1.869 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2N(C)C)C1 1539729068 FRDSXLAZFFROJE-MRXNPFEDSA-N 463.608 1.505 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(=O)C(C)C)CC1 1539803114 DTBOQZNOIYCQNF-MRXNPFEDSA-N 475.015 1.058 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1539915854 FEHMLWRBJXKWSD-LJQANCHMSA-N 478.663 1.527 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1540864542 DATKQKCREHUTOB-GOSISDBHSA-N 478.557 1.654 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC(F)(F)F 1540898403 JKFSTUGGVMKFMN-UHFFFAOYSA-N 495.549 1.795 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(OCC(N)=O)c2)C1 1541990357 FHGUFLRJVRCRJU-HSZRJFAPSA-N 451.531 1.443 30 10 JDEE Cc1cccc(C)c1NC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1542521265 AGOYDDHZZLNMBR-IAGOWNOFSA-N 458.544 1.165 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C[C@@H]1C 1555597070 HAQRFBXRPCALDR-FQEVSTJZSA-N 497.600 1.135 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(S(N)(=O)=O)cc1 1587621341 SCCSQLUDQWCIJK-AWEZNQCLSA-N 456.528 1.354 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(C3CC3)C2)c1 1587684343 WMTSJXPYXMOCHG-PKOBYXMFSA-N 499.641 1.429 30 10 JDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cn(C2COC2)nn1 1587984776 LBGIDHLEMGHMIH-INIZCTEOSA-N 456.551 1.673 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1588024724 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C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCOCC2)CCCCC1 1690190137 MHSUATDEGCOYBB-DENIHFKCSA-N 478.663 1.916 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1690671497 XGFLXNSOWZMQMA-IKGGRYGDSA-N 490.561 1.809 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1690676163 RNZGVIYZSGPQDK-WMLDXEAASA-N 489.374 1.637 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1C1(c2ccccc2)CCC1 1690678562 ZYOHJUZKSXPKHX-UHFFFAOYSA-N 479.629 1.697 30 10 JDEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1691526199 IEHBATDIVADKOK-UHFFFAOYSA-N 477.573 1.561 30 10 JDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1)N(C)C 1692694579 FNVPAEXVHSVUDL-VQTJNVASSA-N 464.618 1.900 30 10 JDEE CN(Cc1ncnn1CC(F)F)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C1CC1 1696728214 DGVWWQLDOQJWHH-UHFFFAOYSA-N 455.473 1.836 30 10 JDEE COCCN1C[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)CC1=O 1698078209 FXIHBYBDWIYCLL-RTBURBONSA-N 495.632 1.738 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccccc1OCCN(C)C)[C@H]1CCS(=O)(=O)C1 1705563761 DWWRRFOJRHXLOR-NRFANRHFSA-N 494.621 1.956 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 1705565984 LBYGYWSKNKDFLA-RBUKOAKNSA-N 492.623 1.254 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1705568696 SYQORKTZKYIVBF-QGZVFWFLSA-N 475.962 1.429 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc2[nH]ccc12 1705597659 NBEGRCBFRHUCKP-QFIPXVFZSA-N 480.594 1.798 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCC[C@H](C)C1 1705612431 GWCMSZXWEYNBDR-FHWLQOOXSA-N 452.625 1.191 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(N3CCSCC3)CCCC2)CC1 1705633818 ZDLQYKAUNRRVLL-IBGZPJMESA-N 495.719 1.005 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1705635938 SAEVLDZYLCZLIP-DEOSSOPVSA-N 471.627 1.547 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCCNC(C)=O)CC1 1705636296 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10 JDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1286348357 JSWHXNIZKPOFRJ-UHFFFAOYSA-N 462.576 1.717 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1286389761 QBIGOTFHXHWWIW-JPLJXNOCSA-N 463.604 1.307 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC2(O)CCOCC2)CC1 1286488035 KDELAVWVBDGDOJ-VWLOTQADSA-N 489.617 1.216 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1286490144 MHNFXCJJGNWMTE-HXUWFJFHSA-N 464.618 1.332 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccn(C)n1 1286745563 VKIVOEUICGEPBZ-HXUWFJFHSA-N 489.577 1.725 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCN(C(=O)OC)CC2)C1 1286800264 IWLQJPPHZALVQN-NVXWUHKLSA-N 470.596 1.148 30 10 JDEE CC(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1288001720 IDQAOPZXQSLMBT-UHFFFAOYSA-N 484.586 1.455 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)C1=O 1296274376 WYZNORGAIOIDNB-HNNXBMFYSA-N 456.503 1.221 30 10 JDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)C)CC1 1297787066 GGOSVPOOWCQEIT-UHFFFAOYSA-N 475.619 1.589 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNS(=O)(=O)CC 1300281864 FANLQKWOUICGCB-OAHLLOKOSA-N 453.590 1.136 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1300310014 JYEKLTSKXZIHBT-TUFLPTIASA-N 480.679 1.827 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1300319444 BBPPZTWPXMZKPF-RDGPPVDQSA-N 472.590 1.883 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1cc[nH]n1 1300329237 OQTNOHOPELJPOC-WBVHZDCISA-N 456.551 1.961 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300484569 UEOIXFQKZIUSEA-HUVFLSCGSA-N 488.610 1.465 30 10 JDEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CCS(=O)(=O)N(C)C 1300640961 CKYOSOIORWYRMK-IBGZPJMESA-N 452.512 1.199 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCNC(=O)c2ccc(C)cc2)CC1 1300719832 RRNHMDIDSRIOMW-UHFFFAOYSA-N 473.581 1.988 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1300728947 KWXAPKJWYPMQFB-RUZDIDTESA-N 464.570 1.344 30 10 JDEE C=C(Cl)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301034404 VXUOUHXQDNLNKE-RHSMWYFYSA-N 472.933 1.788 30 10 JDEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1301240521 BACONYLOHXRHRQ-UHFFFAOYSA-N 482.585 1.817 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCn2ccnc21 1301423723 CBONEAWTKNBQHE-MSOLQXFVSA-N 479.607 1.024 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1301483752 WEBRYXARHILILL-WBVHZDCISA-N 484.557 1.236 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC2(CC2)C1 1301485170 SHWFNJXFIKDQBG-UHFFFAOYSA-N 458.588 1.878 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2cccs2)C1 1301538686 JYXHUZWSCGIAIA-SPYBWZPUSA-N 455.606 1.639 30 10 JDEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCN2CCOCC2)CC1 1301703641 HDHNFDYBGWVRPA-UHFFFAOYSA-N 481.601 1.900 30 10 JDEE CN(C)S(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1314675191 HFBRWFTXSDMOLO-QFBILLFUSA-N 450.496 1.124 30 10 JDEE CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCS1 1314705188 CORDAZUQCHMWJV-IBGZPJMESA-N 456.572 1.919 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1358913106 FVXJFNHPNWSYKX-ROUUACIJSA-N 482.607 1.129 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCOc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1358955519 NMMOTWOTASEPBI-LJQANCHMSA-N 473.599 1.739 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=C)C)[C@@H]1CCS(=O)(=O)C1 1358958240 KCYUYDSDANJTHJ-GOSISDBHSA-N 477.612 1.398 30 10 JDEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1358959834 QPKPVOWMVUBALN-GOSISDBHSA-N 487.607 1.555 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCCCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1358960392 DEUSCEPMTZDYRW-IBGZPJMESA-N 457.604 1.628 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CCN1CCOC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1358965719 ZVRXRPISZAIRDT-LJQANCHMSA-N 477.656 1.668 30 10 JDEE C#CCN(c1nnc(COCC)n1CCc1nnc2n1CCCCC2)[C@H]1CCS(=O)(=O)C1 1358967631 OPAZLFNFNYDFCZ-KRWDZBQOSA-N 461.592 1.002 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OCCO)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1358967948 WDNUQBRWXCMNLF-UYAOXDASSA-N 490.582 1.184 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1359010218 KHKDEDXUTCHKJK-OALUTQOASA-N 496.584 1.652 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCOC[C@H]1C 1359015151 KAROYIBAKSBUAL-MSOLQXFVSA-N 478.594 1.388 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1359100216 YNIQTQVMWOCCGR-ZRNYENFQSA-N 479.647 1.902 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359133589 VURYUYVNXQVTGY-OAHLLOKOSA-N 458.544 1.308 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COC)C1 1359133682 XNGIRHXEERFEAM-ZWKOTPCHSA-N 457.597 1.067 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CSCCS2)CC1 1359178975 IFEFGSTZURYKEK-IAGOWNOFSA-N 473.690 1.862 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@](C)(N2CCOCC2)C1 1359302499 JJLBRCOKJWZYHG-DEOSSOPVSA-N 454.575 1.481 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn(C)nc1-c1ccccc1 1360475509 BHYYDYYJSJCTBU-FXAWDEMLSA-N 498.613 1.798 30 10 JDEE COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 1462800198 AQPLYHIVAMZNOL-UHFFFAOYSA-N 459.524 1.884 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(Cc3ccccc3)CCOCC2)c1 1472130549 AGBMXSHKACUJKB-UHFFFAOYSA-N 455.580 1.963 30 10 JDEE CS(=O)(=O)c1ccc(OCCn2c(-c3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1505120169 ALNQKCQOHZMWPR-KRWDZBQOSA-N 454.512 1.551 30 10 JDEE N#Cc1ccc(-c2nnc(N3CC(=O)N[C@@H]4CCCC[C@H]43)n2CC(=O)NCC(F)(F)F)cc1 1505316779 GXNAGTJNBVACNQ-HZPDHXFCSA-N 461.448 1.743 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1507535029 WWCCBLSHNMLVRM-SFHVURJKSA-N 476.585 1.297 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@@]2(O)CCOC2)c1 1507549347 GGFZLAJWUYRCCH-BJKOFHAPSA-N 469.542 1.138 30 10 JDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCS(=O)(=O)CC 1507579189 NVVAVUFRFJMXSD-UHFFFAOYSA-N 466.633 1.831 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccc(F)cc1 1507588861 RVTAFWLNYHZBPE-LJQANCHMSA-N 465.551 1.679 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1507631955 VWAOCUWXNKBLLM-OXJNMPFZSA-N 458.569 1.331 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CC(=O)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1507634802 NBFPRGAYRJPHBQ-FQEVSTJZSA-N 455.584 1.516 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCNS(C)(=O)=O 1507677243 VZDGKBJDPQTAKV-HDICACEKSA-N 478.619 1.451 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSc2ccccc21 1507689944 NWYZLAGVVISTBY-SJLPKXTDSA-N 461.613 1.960 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCc2ccccc21 1507711482 VHLYBJUWNQOVOI-RBBKRZOGSA-N 487.626 1.817 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1507732625 QQWYTVKTQKLLGV-DEOSSOPVSA-N 482.629 1.978 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](F)COC)CC1 1507734905 CLCYJHCKBPLYGN-SFHVURJKSA-N 459.522 1.913 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC(=O)NCCc2ccccc2)CC1 1507737704 CCUCJMMECSFKNZ-JOCHJYFZSA-N 478.597 1.844 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(CC)C1 1507845940 UPWSBWQEQREUSB-PXNSSMCTSA-N 457.597 1.209 30 10 JDEE C=C(C)COCCn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507848798 OGBBDTHPTMMONX-DEOSSOPVSA-N 492.621 1.085 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1508129984 FUWBNXXUZJXEGY-UHFFFAOYSA-N 488.614 1.416 30 10 JDEE C=CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C(N)=O)C1 1508152421 MGLCBYXHGBPSNL-HNNXBMFYSA-N 463.633 1.777 30 10 JDEE CC(C)(O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1508727465 BRPDJLGIPZYARE-OALUTQOASA-N 459.572 1.791 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCN(C)Cc1ccc(F)cc1 1510173280 HECXUQREXXGWMH-MRXNPFEDSA-N 463.583 1.899 30 10 JDEE CNS(=O)(=O)CCn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@H](C)C#N 1517624705 FITVIMOYIMAHEJ-LLVKDONJSA-N 459.345 1.992 30 10 JDEE COc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)ccc1C 1518002939 FPAGGZUKXISERE-FQEVSTJZSA-N 474.587 1.716 30 10 JDEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC)c1nccs1 1524726218 ZGPZRKDIEPOKQA-UHFFFAOYSA-N 451.526 1.461 30 10 JDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1539119998 PYAROXQTJNMWNL-UHFFFAOYSA-N 493.660 1.856 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1539206687 UTUWLSXRNQRDGY-QFBILLFUSA-N 458.531 1.602 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1539212161 SRYKJPFLSZPPKM-FPOVZHCZSA-N 452.584 1.785 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C(=O)OC(C)(C)C 1539556855 IQQLQCMXFHUSAT-HTAPYJJXSA-N 496.634 1.470 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1539594093 DGUIMCYMTIIWGX-HOCLYGCPSA-N 453.385 1.827 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(=O)OCC)CC1 1539615079 FMTZEHWGBKZYBL-LMMKCTJWSA-N 498.650 1.927 30 10 JDEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539924304 SBHSYDKVCGNMBY-UHFFFAOYSA-N 467.618 1.847 30 10 JDEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1540006816 XCQKGXBAXUNHDO-FGTMMUONSA-N 479.578 1.913 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(N3CCCS3(=O)=O)c2)s1 1540823713 URTGCLSPFFWDER-UHFFFAOYSA-N 455.583 1.934 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1540872839 BXODMSKILPZTOV-UHFFFAOYSA-N 452.950 1.941 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)OCC(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540876026 FQKVXMNOSCCLGV-QHCPKHFHSA-N 478.594 1.536 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](CNC(C)=O)C2)cc1 1540877769 FGEAYTDSHQKUPY-WOJBJXKFSA-N 454.531 1.184 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCSC[C@@H]1C 1540907008 JDYGCIGTTCIOOV-AWEZNQCLSA-N 455.631 1.812 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](CCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)C1 1541200397 FTHYZMBTMCFFLL-BRWVUGGUSA-N 459.551 1.605 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCNS(=O)(=O)c1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 1588059604 QTOHQEKKEDJPKJ-KRWDZBQOSA-N 499.684 1.452 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1588064436 IDTMIOOWSHOBEQ-KNQAVFIVSA-N 471.608 1.860 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)N(C)C 1588233962 XELIXKAAMGUBOZ-VXKWHMMOSA-N 484.626 1.377 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)NC(C)C 1588473137 LTIFYOPNCVGLPM-HNNXBMFYSA-N 450.540 1.192 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2ccccc2)CC1 1588890872 HGZMOMBTCQNDAW-SFHVURJKSA-N 472.615 1.487 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1594733846 YULKKJZFDXUMJB-LQWHRVPQSA-N 469.608 1.352 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCN(C(C)=O)CC1 1595777295 KULMQBDFKBYWLL-UHFFFAOYSA-N 454.556 1.763 30 10 JDEE C#CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)NCCOC)ccc2Br)C1 1595790787 RTKRYSSLQXPYQS-AWEZNQCLSA-N 458.378 1.201 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)CCO)cc2C)ccc1F 1618256379 MGZFYXVEBGMNSP-UHFFFAOYSA-N 456.517 1.617 30 10 JDEE COc1cccc(-c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2CC(=O)N(C)C)c1 1619352425 BBNVRPZAPJWMSI-UHFFFAOYSA-N 463.546 1.282 30 10 JDEE C#CCN(CC(=O)Nc1cccc(OCc2nc(N)nc(N(C)C)n2)c1)C(=O)OC(C)(C)C 1626717810 UAPAIKGSEXUGMQ-UHFFFAOYSA-N 455.519 1.908 30 10 JDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)cc1 1630661098 BPAAMXKPDQVJJZ-GOSISDBHSA-N 452.536 1.979 30 10 JDEE Cc1[nH]nc(NC(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)c1C#N 1641600388 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PIPBOANTWOEECC-NHCUHLMSSA-N 474.631 1.412 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1690725601 VVRPVFFALODXPU-IBGZPJMESA-N 496.655 1.882 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1690731366 JJNHDGMDAYUZRS-VJANTYMQSA-N 453.609 1.276 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC3(CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690732083 VKBVFDMDWZVLQO-QFIPXVFZSA-N 468.620 1.926 30 10 JDEE Cc1cc(C)n(Cc2nnc(N3CCN(c4ccccc4C#N)CC3)n2CCS(C)(=O)=O)n1 1693429368 CRDKZYRUHUEHIK-UHFFFAOYSA-N 468.587 1.383 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C)ccc1OC 1705494990 JBBNMVUGFIVIGV-XLIONFOSSA-N 461.588 1.629 30 10 JDEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(O)CCS(=O)(=O)C1 1705546914 QAANZEKNINYQOP-KRWDZBQOSA-N 457.325 1.466 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705559582 CZHVGLQEUQHTIG-SJORKVTESA-N 460.560 1.223 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCCOC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1705563610 AVFBALIIIVQDGK-OALUTQOASA-N 459.572 1.410 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O)[C@H]1CCS(=O)(=O)C1 1705564959 GGWYRKYFDZSFQV-QUCCMNQESA-N 489.617 1.977 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CCc2ccccc2)C1 1705582611 FMAJDGLMRVAHTH-GOTSBHOMSA-N 465.623 1.818 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccn1 1705583475 YZYXTMJVXGAYNQ-GOSISDBHSA-N 456.572 1.057 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c2c(c1)OCCO2 1705589351 PMMSKGHMWADEGI-HNNXBMFYSA-N 477.974 1.824 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C(F)(F)F)n2)CC1 1705632807 CBQGTYJMJBBYHJ-AWEZNQCLSA-N 471.509 1.106 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1705643290 ZMOLZKBNGSKBMA-GOSISDBHSA-N 476.578 1.175 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OCC)c2)CC1 1705643474 HLPLWNQZJBPOEN-UHFFFAOYSA-N 464.570 1.927 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1705653910 SNKNLIBLCREVLQ-HNNXBMFYSA-N 485.705 1.258 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1705658993 IJLBVJFFIQVNRM-QGZVFWFLSA-N 469.571 1.137 30 10 JDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1705662909 PPXHMHMRBLJWMM-GOSISDBHSA-N 453.616 1.419 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1705735904 YCRWRMIAKRDKIJ-CEMLEFRQSA-N 460.623 1.754 30 10 JDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1705809756 BITMJBKUXKDWKU-PZJWPPBQSA-N 457.623 1.859 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1705902363 CUKVRQBHCPDTNV-ZFWWWQNUSA-N 453.515 1.958 30 10 JDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1705937920 INWYRVCUAWNZOP-UHFFFAOYSA-N 453.609 1.787 30 10 JDEE COCCN(CCC#N)c1nnc(Cn2ccc3ccccc32)n1CC(=O)N1CCOCC1 1712458902 BGHUTOOOTBNKJC-UHFFFAOYSA-N 451.531 1.506 30 10 JDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722311059 SGXJYFNRBDLWHH-LJQANCHMSA-N 459.572 1.493 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1722363196 DMQFCDUXFGHMDI-JYJNAYRXSA-N 462.519 1.053 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(OCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1722366986 LKJGQCNMOKSYPI-MSOLQXFVSA-N 484.644 1.156 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1722371572 KHVAUYQMFHXCRK-NTKDMRAZSA-N 485.610 1.579 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCCN2CCCO)CC1 1722443375 HZPNCDKFZLVISX-QFIPXVFZSA-N 480.613 1.766 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](COC)OC)CC1 1722446933 BSWWIPOSNUAULT-NRFANRHFSA-N 496.616 1.079 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722493107 FSHJOTWHSMLHLV-WSZRMNBISA-N 473.578 1.212 30 10 JDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722625624 YIBCBLNUDWETQP-UHFFFAOYSA-N 480.591 1.459 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCCC1=O 1722640029 HWEMUAFTLNCJJY-QGZVFWFLSA-N 454.597 1.026 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1722729389 ZYXICQZBTLQBER-XMSQKQJNSA-N 494.639 1.187 30 10 JDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCCS(=O)(=O)C2)CCOC1 1728789829 GYOGXFQLKMJOJY-WIYYLYMNSA-N 451.593 1.885 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1740615508 GARANMYAJCOOMN-MOPGFXCFSA-N 485.614 1.284 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740626183 KBYWUHYDBSWTDO-IRXDYDNUSA-N 477.553 1.683 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCCC)CC1 1740717521 VAGQAGJLEADXQS-OALUTQOASA-N 485.676 1.763 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740804635 CFRZBDVFNADBEZ-INIZCTEOSA-N 479.994 1.504 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CN1CCCC1)C1CC1 1740910046 HBVQBSBMOWDFQA-LJQANCHMSA-N 466.652 1.888 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc(Cl)cn1 1740932801 WAGFMKQUUVNXPN-INIZCTEOSA-N 455.972 1.340 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(NC(=O)OC(C)(C)C)COC1 1740941072 AVALXZZXOOSLPD-INIZCTEOSA-N 485.607 1.113 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1740955765 FSMCFYPZINTNCO-UHFFFAOYSA-N 465.602 1.772 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(=O)N2CCOCC2)C1 1740977696 JOLIGAOWHXCVMC-GOSISDBHSA-N 457.531 1.602 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1COC(C)(C)OC1 1741003415 UNAJETIAUVEFFM-KRWDZBQOSA-N 489.664 1.366 30 10 JDEE Cc1nc(CCn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCO[C@H](C#N)C2)n[nH]1 1742603018 CWBROAHAXFFYIT-QGZVFWFLSA-N 471.566 1.791 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1c(F)cccc1F)N(C)C 1748673126 ZCQISOHCANNBTB-KFKAGJAMSA-N 496.584 1.650 30 10 JDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCS(=O)(=O)NC 1748686363 NUZRQXBXCXQLFX-ZDUSSCGKSA-N 456.366 1.627 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCOC[C@H]2OC)c1 1748692021 BFBGOCAPCLWXFQ-YZGWKJHDSA-N 466.542 1.337 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CCCCC1 1748857788 DRMQFHLYOXBALQ-UGKGYDQZSA-N 463.604 1.015 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCC(=O)N(C)C 1748882466 SVFTWUXINJRUCI-UHFFFAOYSA-N 470.599 1.527 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1748960368 IZFPRVKALRLSQS-SFHVURJKSA-N 458.563 1.882 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CSCCS2)CC1 1748995199 ZKAURPVLFHTVIU-INIZCTEOSA-N 462.670 1.873 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](COC)C1 1749368607 NQBSYYVTSPAMLR-IRXDYDNUSA-N 457.597 1.065 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1749736518 KSKZTOMXGLJGSJ-HSZRJFAPSA-N 477.606 1.910 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1749741280 WCRRRXRKXGWLOZ-OAQYLSRUSA-N 487.626 1.930 30 10 JDEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760148461 ARPVXTAISVGBOC-KRWDZBQOSA-N 452.515 1.848 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760181019 OHPSFMLFLMLOIU-UZLBHIALSA-N 496.431 1.834 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1760182250 DASJTEYLNIKECT-KRWDZBQOSA-N 450.996 1.960 30 10 JDEE C#CCN(c1nnc([C@@H](C)CC)n1CC(=O)NCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760184115 VMKJUJKWJHVUNR-AZUAARDMSA-N 457.600 1.777 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCCC=C)[C@@H]1CCS(=O)(=O)C1 1760187481 DJCODQRELKTPGW-GOSISDBHSA-N 496.593 1.411 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)C(C)(C)C 1760216215 FQFZEXRFXWRBOA-UHFFFAOYSA-N 469.615 1.863 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1760216297 IIMAMABBYMBNTH-UHFFFAOYSA-N 471.443 1.333 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1760226587 WBAJXTYPPLEEIX-GOSISDBHSA-N 453.362 1.717 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1760254632 CZIYIZXFXHJKRH-INIZCTEOSA-N 481.420 1.758 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1760255249 WSCTYSKHMVFXAN-KRWDZBQOSA-N 459.572 1.152 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCn3ccnc32)CC1 1760265477 BVWWPTXVLMDTOP-AZUAARDMSA-N 469.590 1.742 30 10 JDEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760304217 MNHMLEJBSOVBRJ-UHFFFAOYSA-N 477.338 1.920 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1760313357 MQOPEXRMLYWUNG-AQNXPRMDSA-N 494.662 1.603 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](CC)O[C@H](C)C1 1760322390 RXORFQKGALINSN-SLHNCBLASA-N 483.635 1.596 30 10 JDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760359668 SSALREKVHZNYFN-OFNKIYASSA-N 467.618 1.845 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760516930 YJUDIESXQMWJOE-OYHNWAKOSA-N 458.494 1.890 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(F)(F)F)CC1 1760517196 GDGSUJWYALDSPN-UHFFFAOYSA-N 468.480 1.949 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC(=O)NC(C)C 1760524241 SYBZSJQORAEHPU-QGZVFWFLSA-N 477.610 1.656 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CCN(C(C)C)CC2)C1 1760535280 OBIIVKKGJIJUOR-LJQANCHMSA-N 469.590 1.942 30 10 JDEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 1765496927 DBHGYRCVCNINGU-WMZHIEFXSA-N 464.618 1.948 30 10 JDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCOCC2)CC1 1765656068 GXZHKCXRZXUQFJ-UHFFFAOYSA-N 466.590 1.779 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CC2)N(C)C)C1 1765671333 AEBHRYFBYNXCNJ-VQTJNVASSA-N 457.604 1.675 30 10 JDEE CN(C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1768504873 GOJURIOBWWENMY-LJQANCHMSA-N 476.589 1.936 30 10 JDEE COc1ccc(S(=O)(=O)CCC(=O)N[C@H](CO)C(=O)Nc2cccc(C#N)c2)cc1Cl 1866807637 WOOVKSGIULHJKR-QGZVFWFLSA-N 465.915 1.500 30 10 JDEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CN1CCN(c2ccccc2F)CC1 1870521689 PBQVKSMFPYRAAK-UHFFFAOYSA-N 458.534 1.637 30 10 JDEE COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(=O)Nc3ccccc3C#N)C2)cc1 1873868658 LUPVDTSALQOYBA-QGZVFWFLSA-N 456.524 1.722 30 10 JDEE CC(C)(C)OC(=O)N1CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@H]2CS(=O)(=O)C[C@@H]21 2241051667 KFJHNEGCNHEGPT-IRXDYDNUSA-N 479.408 1.604 30 10 JDEE C[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255794261 JJIGWOCMGKDFQM-CYBMUJFWSA-N 458.390 1.158 30 10 JDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N=c2nc(CCNC(=O)OC(C)(C)C)[nH]n2C)C1 2266492522 NWDRXKILBBHEBJ-UHFFFAOYSA-N 462.551 1.549 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@@H]12 2266997642 DFPXTYBQLUOEAN-NWANDNLSSA-N 465.381 1.806 30 10 JDEE Cn1ncc(C(=O)N2C[C@H](F)C[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267009350 LMFCBFAUMJNSNE-KGLIPLIRSA-N 452.336 1.797 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@](CF)(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267164859 XNNGTAFJJKMPNA-OAQYLSRUSA-N 450.320 1.855 30 10 JDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267487340 OWTRJFLKTFICIU-CABCVRRESA-N 450.345 1.083 30 10 JDEE CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267524281 NSDUNSJODAXPCR-KBPBESRZSA-N 450.345 1.463 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)CO[C@H]2C1 2268656084 SORPCEDWFWCPPM-UPJWGTAASA-N 466.369 1.080 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 2282058961 BVJLAACPHBTBMX-HUUCEWRRSA-N 464.372 1.302 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2282334016 WFMXJKSEBRBUSK-QKDCVEJESA-N 482.412 1.111 30 10 JDEE CC1(C)OB(c2cncc(S(=O)(=O)NC[C@@H]3COCCN3Cc3ccccc3)c2)OC1(C)C 2282352813 QXFSCNJTVYOLDL-HXUWFJFHSA-N 473.404 1.560 30 10 JDEE C[C@H]1CCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2282498975 LTGHQMYOPUIJBH-GOEBONIOSA-N 484.428 1.643 30 10 JDEE Cn1cc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CO)C2)nc1B1OC(C)(C)C(C)(C)O1 2282554010 XILXSENJUQWDFN-LSDHHAIUSA-N 464.372 1.067 30 10 JDEE CN1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)[C@@H](CNC(=O)OC(C)(C)C)C1 2282679898 GOCCMLZKEYVASM-KRWDZBQOSA-N 462.400 1.605 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2282850968 VPGTVTUPDVPWBS-SQWLQELKSA-N 482.412 1.253 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCNC(=O)OC(C)(C)C)C[C@H](C)O)n1 2285398976 XGMSZKDTKXWTJO-HNNXBMFYSA-N 466.388 1.550 30 10 JDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315641349 DDJHUNBNTAINLU-UONOGXRCSA-N 453.370 1.806 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)N2CC[C@H]1C2 2368745374 QXNIHBBNVVCVDL-LSDHHAIUSA-N 478.424 1.866 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)nnc12 23317251 VUPLTUNYSWVFNS-KRWDZBQOSA-N 496.593 1.420 30 10 JDEE C=CCOC(=O)[C@@H]1O[C@@H](OC(=O)[C@@H](C)c2ccc(-c3ccccc3)c(F)c2)[C@@H](O)[C@H](O)[C@H]1O 253608683 ONIQYRINBFNODR-QCYXGGTESA-N 460.454 1.676 30 10 JDEE Cc1cc(-n2cnc(I)c2I)cc(C(N)=NO)n1 308227397 LHSLCECEMDJOEJ-UHFFFAOYSA-N 469.024 1.879 30 10 JDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)N(CCC#N)c2ccccc2)[C@@H](C)O)cc1C 777303476 AREFMTACCSVGQC-XMSQKQJNSA-N 473.551 1.821 30 10 JDEE CC(C)[C@@]12O[C@@H]1[C@H]1O[C@@]13[C@@]1(O[C@@H]1C[C@@H]1C4=C(CC[C@]13C)C(=O)OC4)[C@H]2OCOP(=O)(O)O 1085195495 QROUIGQWVUTWFM-UMWWJUGNSA-N 470.411 1.194 30 10 JDEE N#C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CCN1Cc1ccccc1 1146352502 GBPULHOSTNNAAP-GOSISDBHSA-N 459.597 1.602 30 10 JDEE C#CCn1ccc(CN(CC)C(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)n1 1215124855 BLNIJHNCHSUKGS-UHFFFAOYSA-N 458.588 1.897 30 10 JDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1286348707 YOZQQAIZOWOMCD-LJQANCHMSA-N 453.522 1.542 30 10 JDEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@H](OC)[C@H](OC)C1 1286355356 MIZABACUCCSYOZ-ZRZAMGCNSA-N 452.603 1.906 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286398657 MFUMXNVFDWAMAC-ZGXWSNOMSA-N 465.620 1.256 30 10 JDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CCC[C@H]1CO 1286416434 SBAJETPCQIZHPE-QHCPKHFHSA-N 460.582 1.478 30 10 JDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1286536668 RIUHBQIKKJKNOL-CABCVRRESA-N 491.456 1.930 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nc(O)c2sccc2n1 1286592584 MGIGRIFSEDNKCI-CQSZACIVSA-N 479.588 1.534 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1286779629 KVBLRLJFOOWZDD-LRDDRELGSA-N 477.338 1.864 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC2(CCCCC2)C1 1286791181 OXBCEBMPXHQBHQ-QGZVFWFLSA-N 498.675 1.169 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cc(C)on1 1286791506 URMNXAPKENNOKA-KRWDZBQOSA-N 475.550 1.822 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(=O)NC)C1 1286820676 OZSYRAMJZFQKOG-VQIMIIECSA-N 475.571 1.354 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCCS2(=O)=O)c1 1300331318 ISXWPDASPPXNIP-HXUWFJFHSA-N 498.609 1.538 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1300482129 DDGLYFVAOXAOLY-GOSISDBHSA-N 481.582 1.488 30 10 JDEE C#CCN(c1nnc(CC)n1CC[C@H](N1CCOCC1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300499586 VKHTWRDVLYOOFD-CVEARBPZSA-N 463.526 1.120 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1300499847 YJCIKTCXURHXBO-LJQANCHMSA-N 454.556 1.286 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1300504816 TVQOYLTZHWDEIV-KZNAEPCWSA-N 450.605 1.738 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1Cc2ccccc2C1 1300631225 NWCQUYYHBOCJBY-NRFANRHFSA-N 457.600 1.876 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1300703394 IJXPYLCSHLAXGZ-QHCPKHFHSA-N 466.630 1.990 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCc2nnc(C)s2)CC1 1300724673 BGMVPNQHRUDQFL-SFHVURJKSA-N 457.604 1.931 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1300928785 NZXVLFQJJFQTKS-KRWDZBQOSA-N 461.592 1.225 30 10 JDEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCN(C(C)=O)CC2)CC1 1301130321 WIWRUGOBNAMFOP-UHFFFAOYSA-N 471.631 1.836 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1COCCO1 1301341535 SFCOCSARLPTUOZ-LPHOPBHVSA-N 460.560 1.368 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1301483817 WYMFMZORPMTBHY-XMMPIXPASA-N 470.574 1.566 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(-n3cccn3)cc2)C1 1301538450 IDVIVHNEKHUEJA-YLJYHZDGSA-N 471.587 1.904 30 10 JDEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)c(=O)n1C 1304362508 BPOJTDQCQHMJSK-UHFFFAOYSA-N 477.569 1.553 30 10 JDEE CCN1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1313908628 AARQCOVOKGNDPV-XQBPLPMBSA-N 479.651 1.615 30 10 JDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1358936897 AVHNMUWUZOLPEL-FPOVZHCZSA-N 452.559 1.841 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc2c(cc1OC(F)F)OCO2 1358949272 XNPVPKRDWCRPCF-QGZVFWFLSA-N 499.496 1.059 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CCC1 1358949372 ABWMROGPVFVRBA-INIZCTEOSA-N 467.592 1.623 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cc(C(C)(C)C)no1)[C@@H]1CCS(=O)(=O)C1 1358955538 NUIHNXQLHMQMOS-OAHLLOKOSA-N 462.576 1.377 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(CC)(CC)OC)[C@@H]1CCS(=O)(=O)C1 1358966029 GNQLPHNNCLIHIZ-QGZVFWFLSA-N 451.593 1.232 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1358966512 QUHXMZZKVKNIGG-RBUKOAKNSA-N 476.647 1.148 30 10 JDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCOCC2)nc1 1358997554 XELCANQTDCZYRL-UHFFFAOYSA-N 458.570 1.883 30 10 JDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CC1 1359010106 GTBBPPLISIDZLY-MRXNPFEDSA-N 467.592 1.623 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1c(C)nn(C)c1C 1359019627 AKKZHRHHUTXIDG-UHFFFAOYSA-N 485.614 1.680 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(OC)nc2OC)CC1 1359030296 SAUNXMFKNPEHSF-XMMPIXPASA-N 470.574 1.534 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(C)ccc21 1359058290 YOZSHSQQKUKADR-IBGZPJMESA-N 461.613 1.980 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1359287678 QDQDEZBEXGRNRV-DLBZAZTESA-N 484.623 1.538 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1359298909 PFAWQEUPOAUYLQ-SJORKVTESA-N 485.589 1.829 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1359298971 QMPSWVNOBICLQU-WIYYLYMNSA-N 456.522 1.621 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1359328408 CIQWPSJTUPESPF-IBGZPJMESA-N 456.572 1.770 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1359333894 NGKGYJJPEZZFAN-IRXDYDNUSA-N 464.617 1.482 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(C)(C)C)CC2)CC1 1359400230 FRGZXIONYWOAET-UHFFFAOYSA-N 464.618 1.901 30 10 JDEE COc1ccc(C2=NO[C@H](CNC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)cc1C 1448236360 HLJXMFBLZCASTL-INIZCTEOSA-N 456.524 1.742 30 10 JDEE N#Cc1ccc(O[C@H]2CCN(C(=O)c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)C2)nc1 1468538118 GPEMYQFWRANIBM-MOPGFXCFSA-N 456.524 1.704 30 10 JDEE C#CCN1CCC[C@@H](NC(=O)N2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)C1 1471337144 NKVOOMCZKVKTTP-HXUWFJFHSA-N 455.584 1.738 30 10 JDEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CC1 1503230765 BPDFSNDERSFHSE-GOSISDBHSA-N 472.615 1.941 30 10 JDEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1503943748 IBNBWSWIPONTGI-XUZZJYLKSA-N 497.644 1.995 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](COC)C1 1507564104 MWPXHIWGUZDUQT-MOPGFXCFSA-N 453.609 1.667 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1507632273 KIZLGYSQLVIUNR-JSGCOSHPSA-N 453.977 1.619 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1507635315 RUWMSZYVCFFAHZ-OAQYLSRUSA-N 467.599 1.876 30 10 JDEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507821762 KWKQLDLPJNHPDG-IBGZPJMESA-N 453.590 1.222 30 10 JDEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1507824877 LPDDZKORRMTFKQ-MRXNPFEDSA-N 467.596 1.131 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC)CC1)C(C)C 1508013399 NQIGSFDTRYIXSV-MOPGFXCFSA-N 458.611 1.389 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@H](C(=O)NC)C1 1508072860 KZBBLCADNJJOQY-INIZCTEOSA-N 458.588 1.529 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1508079477 XETJEVYDNYKCIZ-MRXNPFEDSA-N 463.560 1.278 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1508140442 NUTIKBMVIQGFFF-UHFFFAOYSA-N 459.576 1.317 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCCCC2)CC1 1508141286 MFFISFHPGBHQJK-GOSISDBHSA-N 450.609 1.285 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1508405256 DLUCQYVMTJCPDP-LSDHHAIUSA-N 466.468 1.784 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1508644987 CRNBCJXAQDPHBB-KRWDZBQOSA-N 460.560 1.965 30 10 JDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1539148414 KKOUMBYXWIKVFO-MSOLQXFVSA-N 460.604 1.227 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCC1CC1 1539304592 BLKUXLCJELWPNK-UHFFFAOYSA-N 468.583 1.185 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCN(C)C(=O)OC(C)(C)C)CC1 1539466729 FGCSVAJLNALCEK-UHFFFAOYSA-N 475.594 1.249 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2cccc(OCC(N)=O)c2)CC1 1539466731 FHJUSZRNDUNEKU-QGZVFWFLSA-N 452.559 1.670 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1539534033 XNDGYWXXJFDTSB-ZCNNSNEGSA-N 460.604 1.779 30 10 JDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1539597177 TZCREUAPALIZME-GJZGRUSLSA-N 462.414 1.846 30 10 JDEE C=C(Br)Cn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1539609793 RZLSEPPFXNIQQS-UHFFFAOYSA-N 453.385 1.755 30 10 JDEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1539686430 VHCKTVSIBNAUSG-UHFFFAOYSA-N 474.635 1.333 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nncn1-c1ccccc1 1540170753 PYDFFEWLYOUZDJ-IBGZPJMESA-N 484.586 1.418 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1c(C)noc1C 1540897105 ANFFFZUIXPUISD-UHFFFAOYSA-N 459.532 1.767 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)NC)CC1 1540906999 IWULKEDLGLWFCH-UHFFFAOYSA-N 476.603 1.134 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@H]3CCS(=O)(=O)C3)CC2)c1C#N 1543001750 ATKCMWGGRSTJKM-QGZVFWFLSA-N 460.608 1.152 30 10 JDEE N#Cc1ccc(N2C[C@H](CO)C3(CCN(C(=O)CN4CCOCC4)CC3)C2)cc1C(F)(F)F 1548412874 TYIBCHBLWXGGRL-GOSISDBHSA-N 466.504 1.947 30 10 JDEE N#C[C@]1(F)CCN(c2nnc(Cc3cccnc3)n2CCS(=O)(=O)N2CCSCC2)C1 1555985775 AALDZXUKRMFIAD-LJQANCHMSA-N 465.580 1.084 30 10 JDEE N#C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCNC(=O)C2CC2)CCO1 1555991988 CHXKFUTYBAXDDH-QGZVFWFLSA-N 457.922 1.116 30 10 JDEE N#Cc1c[nH]nc1NC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 1557134129 GPMIPYAQJZVQMI-NSHDSACASA-N 454.306 1.753 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588034072 AVFARMYCHMUVEL-SGXKBVARSA-N 460.556 1.120 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCC(=O)N1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1588046017 VVBSSERRTJFUBR-LJQANCHMSA-N 470.599 1.760 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1588049899 NALMRVIAYIWONR-MRXNPFEDSA-N 459.601 1.567 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1588053296 CDXXTNBIBVCAHN-ZWKOTPCHSA-N 457.556 1.243 30 10 JDEE C#CCN(c1nnc(COCC)n1CCN1c2ccccc2C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588075082 XDTOPXWKFBEKME-ICSRJNTNSA-N 457.600 1.893 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1588075154 ZCUVREDEGAUDRW-PKOBYXMFSA-N 460.556 1.822 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOc2ccccc21 1588138733 IDOKMADTIXCYJO-KNQAVFIVSA-N 483.594 1.640 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)N2CCOCC2)CC1 1588752845 XBMHIZAXANSWLN-DEOSSOPVSA-N 460.623 1.185 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCCC2(C)C)CC1 1588885247 TXCGXTATFBMKCP-RUZDIDTESA-N 479.585 1.832 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1595714966 QTANSDHVIGXPOF-VQTJNVASSA-N 456.595 1.403 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1595784883 MDKQBAFFQPYNOJ-SFHVURJKSA-N 475.619 1.007 30 10 JDEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 1623846861 DEETYJSDRXUQIH-UHFFFAOYSA-N 459.572 1.803 30 10 JDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)c2)CC1 1624818298 ZKISPPVONXVKNV-NRFANRHFSA-N 452.536 1.308 30 10 JDEE C[C@H](CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 1634854352 GPQKBALGFZBCOG-APWZRJJASA-N 454.552 1.763 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(CNS(C)(=O)=O)ccc2OC)c1 1637075172 MCIQJZJSYZKHRL-UHFFFAOYSA-N 453.542 1.461 30 10 JDEE C=CC1(CC(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)CN(C(=O)OC(C)(C)C)C1 1653200489 OUSUUDXBFCERJF-DBWCEAHUSA-N 455.577 1.127 30 10 JDEE CN1CCC(CNS(=O)(=O)c2ccc(Br)c(C#N)c2)(N2CCOCC2)CC1 1663861443 CUAOUTVKMSQSQF-UHFFFAOYSA-N 457.394 1.396 30 10 JDEE C#CCC1(O)CCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)CC1 1672610240 JUTGYCSXDNATOT-UHFFFAOYSA-N 451.545 1.488 30 10 JDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1689860946 LMNQKSAFNVPVMA-DFQSSKMNSA-N 459.620 1.802 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CC(=O)NC(C)C)c1 1689868815 RACRNFJHYJXDLR-DEOSSOPVSA-N 468.558 1.511 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1689977961 IHWGPCOMIVDLBO-IRXDYDNUSA-N 451.618 1.284 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1689977983 JEJZIODDITWYDW-SFHVURJKSA-N 487.582 1.228 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCC(F)(F)CC1)[C@H]1CCS(=O)(=O)C1 1689980314 PNCOLCWJBIPECI-HOCLYGCPSA-N 493.602 1.341 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1689980563 UMKVVPRCRHFVII-WMZOPIPTSA-N 491.589 1.956 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1689980948 ZURSFTSFDZMZPM-HSALFYBXSA-N 455.584 1.725 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1689988973 ZRGSREXGOYZVSH-MOPGFXCFSA-N 457.604 1.482 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)N1CCSCC1 1690050895 FPRFWWFJQMHVMM-UHFFFAOYSA-N 478.669 1.475 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCC[C@H](C)C2)CC1 1690132175 JUQAIWSIEOYXNS-IBGZPJMESA-N 455.632 1.757 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2cnn(CCOC)c2)CC1 1690148619 NEVAXYTUSQASLI-UHFFFAOYSA-N 462.558 1.121 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690676825 FTXOKDTUNVGNCU-BBWFWOEESA-N 496.634 1.364 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1705558014 HLBKNCXIMWXNFD-UYAOXDASSA-N 452.559 1.530 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC1CCCC1)[C@H]1CCS(=O)(=O)C1 1705565187 HATLSUPHPYXBCJ-MSOLQXFVSA-N 484.644 1.156 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCCCCO)CC1 1705638396 JMMFWEZEPMBKSQ-UHFFFAOYSA-N 463.586 1.983 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705705595 JIKBPSWALPYTHG-FPOVZHCZSA-N 460.604 1.717 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1705898291 HNFNPDMHHWOMEU-MWTRTKDXSA-N 457.531 1.649 30 10 JDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705900845 RNMVJAZIKXGBQW-UHFFFAOYSA-N 478.601 1.386 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1705902234 KECOQLXNHLMDFK-SFHVURJKSA-N 476.603 1.980 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1705904988 FKLHWGLXYVWRLF-UHFFFAOYSA-N 466.634 1.561 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705907917 BSSAJIQDCIJNDP-INIZCTEOSA-N 471.587 1.437 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(=O)N2CCOCC2)C1 1705915269 BYYKGVXYBJVYTM-SFHVURJKSA-N 457.531 1.602 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1705931987 HEXWYEWPFSRTRA-UHFFFAOYSA-N 489.646 1.019 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCO2 1705935954 HDOOJBCGJOHEHG-INIZCTEOSA-N 482.584 1.146 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC(N3CCCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1705938755 IPXMTCJLOUNQJA-QHCPKHFHSA-N 481.663 1.986 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CCS(=O)(=O)CC1 1706067925 BARADGZHYURBBH-INIZCTEOSA-N 494.643 1.616 30 10 JDEE CCCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1 1709840955 DRDFXBAOCHLOJH-UHFFFAOYSA-N 459.576 1.462 30 10 JDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722310623 NHOWPSKADLFMNJ-UHFFFAOYSA-N 498.653 1.897 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1722389144 DLFMTYPHSYVJAP-DLBZAZTESA-N 471.583 1.732 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)OC)c1 1722390356 QFCRYYCINLFYLO-INIZCTEOSA-N 458.544 1.578 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCC[C@H]2N2CCCS2(=O)=O)CC1 1722444999 RKLIKMYXTIKASW-HMXCVIKNSA-N 490.674 1.962 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CCOC)C1 1722510262 SHYMFWSFWTYPLC-ZRNYENFQSA-N 483.635 1.455 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1722689795 ZZWSZMKIZDKWDE-JLTOFOAXSA-N 479.379 1.733 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1722724756 FGUUSSYNYPQOES-FQEVSTJZSA-N 488.614 1.853 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCN1S(C)(=O)=O 1722866325 AQBFMPHILGZXLF-MDZRGWNJSA-N 460.560 1.810 30 10 JDEE CCOC1CC(O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)C1 1728938186 HRPUVAOWXKEKMR-FLPIEVNYSA-N 459.572 1.618 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC1 1730749636 DCVUFBJOALBMAE-PMACEKPBSA-N 459.572 1.741 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1cccc2[nH]ccc12)[C@H]1CCS(=O)(=O)C1 1740615625 IBWKNXSRFVPQIX-SFHVURJKSA-N 468.583 1.767 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740616172 VIFCAUZHRYCHAP-DRSNIGMVSA-N 472.571 1.103 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740627276 ZOCQNYMPWGBBGF-QFIPXVFZSA-N 489.617 1.747 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(C)c1C 1740677754 PARVDNJNOZHZAS-OAHLLOKOSA-N 459.551 1.757 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(C)COCCO2)CC1 1740708026 ZLRSWYAMWDINPK-VWLOTQADSA-N 467.570 1.937 30 10 JDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1740718262 KWTCFALRBVOBST-IRXDYDNUSA-N 451.593 1.878 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)nnc1[C@@]1(OCC)CCOC1 1740965386 OLQYQHLIBFJMEG-UQBPGWFLSA-N 488.633 1.707 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1740991658 AYDVBCHSVZSZSR-HXUWFJFHSA-N 494.706 1.991 30 10 JDEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(O)CCS(=O)(=O)C2)cc1Br 1748606861 IDDMKJTZPCOCEO-BFUOFWGJSA-N 498.403 1.862 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(C(N)=O)CCOCC1 1748680166 NVANFTLJEGHYHZ-OAQYLSRUSA-N 479.629 1.383 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2conc2COC)c1 1748693061 WXMAUEMSLBVFNI-SFHVURJKSA-N 463.498 1.468 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1748789777 CJBHVXYFGUIFCC-HBFSDRIKSA-N 492.671 1.825 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)c1ccc(OC)cc1 1748790855 NSJLIKNTGOBDAM-FXAWDEMLSA-N 461.588 1.883 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(CS(C)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 1748814399 FGOMDLVSMYMLLF-FQEVSTJZSA-N 476.624 1.765 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC(=O)NCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748824198 KXBKFLRLYQQUGQ-VQTJNVASSA-N 471.583 1.463 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1 1748892096 IULFEFFVLSUUBT-FQEVSTJZSA-N 459.547 1.456 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(c3ccc(F)cc3)CC2)CC1 1748972058 BAGVCGUKCNLFTR-KRWDZBQOSA-N 460.579 1.514 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OC)nc2OC)CC1 1749009422 AJIDIPCJEOQQMJ-UHFFFAOYSA-N 463.542 1.710 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1749130630 NIFOKOOPGJTXEZ-ZCNNSNEGSA-N 494.662 1.745 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1749530982 AXPZEYUVAIEEON-KNQAVFIVSA-N 457.556 1.396 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749681135 XUCXZGYUVYWDFV-KRWDZBQOSA-N 495.613 1.713 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749681542 DDOJXSOPACKVGZ-XMMPIXPASA-N 480.573 1.214 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1749730100 ZKUMERBRKWUMAR-IBGZPJMESA-N 476.622 1.901 30 10 JDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1749932039 APVXZULGNHNCCI-UYAOXDASSA-N 456.572 1.746 30 10 JDEE CC(C)NC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1750992432 CLLWPDVRJALLQU-UHFFFAOYSA-N 461.574 1.787 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCCOC 1760117621 REPCRFULWVALKL-XLIONFOSSA-N 477.587 1.142 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(ccnc2N(C)C)C1 1760138052 QKCLACOYNOGPEE-FQEVSTJZSA-N 487.630 1.438 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1760187057 HDFUDHUDZRGXOV-MOPGFXCFSA-N 471.583 1.497 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCS(=O)(=O)N2CCSCC2)CC1 1760255400 ZSRRSWQYKSQQIQ-UHFFFAOYSA-N 490.655 1.088 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1760258388 VELZNMRFYHNEPB-GOSISDBHSA-N 456.595 1.937 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1760268335 HXXUXAWHSAWWGS-RBUKOAKNSA-N 450.591 1.821 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1760297780 IHUCROPJRWRZIV-FDDCHVKYSA-N 452.515 1.846 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1760327282 FTPNIHZOLOEOSE-HBMCJLEFSA-N 497.662 1.988 30 10 JDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760355545 NUJUFQBQCVBLIZ-UHFFFAOYSA-N 455.563 1.414 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC2CCOCC2)CC1 1760402876 XNBHXVMWBSVGJF-HXUWFJFHSA-N 483.635 1.599 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)CN2CCCC2)CC1 1760402897 XVJCGPVOHGAYCX-QUCCMNQESA-N 466.652 1.745 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1760440501 LGPAPTMZXQUUDV-RBUKOAKNSA-N 479.607 1.372 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1760514945 PASFYABHLBVBAP-KRWDZBQOSA-N 459.595 1.193 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@H](C(=O)NC)C1 1760551311 ASAPFWDSWZAJPR-SFHVURJKSA-N 459.528 1.243 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCOCC2)C1 1760580922 FNXLSAQZSWKAGP-NQIIRXRSSA-N 451.575 1.842 30 10 JDEE C=CCN(CC=C)c1nc(NC(=O)CNC(=O)c2ccc(Cl)cc2)n([C@H]2CCS(=O)(=O)C2)n1 1870002340 KUUVNNWQAUMOOB-KRWDZBQOSA-N 492.989 1.838 30 10 JDEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(N3CCN(c4ccccc4)CC3)ncnc21 1873561269 IBQDVHVNLWNNEP-UHFFFAOYSA-N 450.543 1.371 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)[C@@H](O)C1 1890526144 ODQCINDGLPMDHG-AOMKIAJQSA-N 452.357 1.509 30 10 JDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)CCS(=O)(=O)C1 2124543269 PKFQPQMPHCCLRI-FEGUVQJSSA-N 470.397 1.619 30 10 JDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@@H](CO)N(C(=O)OC(C)(C)C)C[C@H]2C1 2220105256 JMSAMCHYBNVGQI-BRSBDYLESA-N 451.564 1.979 30 10 JDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255639872 QWTXEKLEUKLZGL-ZIAGYGMSSA-N 453.370 1.806 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@](O)(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267093145 QZUFDXFMYIIWLJ-NRFANRHFSA-N 450.345 1.201 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1COCC[C@@H]1NC(=O)OC(C)(C)C 2267182758 JDDBKLLZYFNCJL-GJZGRUSLSA-N 450.345 1.131 30 10 JDEE CC(C)(C)OC(=O)NCC1(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)COC1 2267376202 SANFCDZCVUPXHB-UHFFFAOYSA-N 488.437 1.867 30 10 JDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268634104 GHBLJAPQJWQLDE-CYBMUJFWSA-N 469.369 1.515 30 10 JDEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268657456 IFDYGZPZZYZZLA-AWEZNQCLSA-N 455.292 1.930 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)n1 2281959156 XYRRKZCCJKYOCC-RTBURBONSA-N 451.380 1.708 30 10 JDEE Cc1nn(C)c(C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2281977421 PEHJLOUSALAGFX-ZDUSSCGKSA-N 458.290 1.558 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCN2CCN(Cc3ccccc3)CC2)n1 2282047524 ZGYRWYWXQYDVOP-UHFFFAOYSA-N 453.396 1.267 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2282172626 ZDYUTGHAEWHKIM-UHFFFAOYSA-N 481.380 1.404 30 10 JDEE C[C@H](O)CN(CCNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2282349120 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454.531 1.803 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 1286382447 RYXIFSTZUZQSSQ-INIZCTEOSA-N 465.526 1.564 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1286385718 ZJQJYFMAQAMKDP-PGRDOPGGSA-N 459.572 1.309 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1286389065 FAKVFDOGLNLGQB-GOSISDBHSA-N 452.540 1.727 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286397080 RJFBBWUBOHZFOO-QUCCMNQESA-N 459.620 1.251 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccc(F)cc1 1286432138 YTKNNWUGTAYEJF-GHTZIAJQSA-N 489.573 1.681 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1286466927 LVICONFWGZVLFD-LEWJYISDSA-N 488.610 1.791 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286563941 LQLUTCGETCSGRV-MDZRGWNJSA-N 474.587 1.202 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1286711649 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1.023 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCSC2)C1 1359058213 VVYJYLABYHISMJ-APWZRJJASA-N 471.674 1.311 30 10 JDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359083842 SHBZFDOEEVVFQT-AWEZNQCLSA-N 450.341 1.667 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)Cc1ccccc1 1360476024 GVUQMERWLUDYEO-PKOBYXMFSA-N 479.628 1.924 30 10 JDEE C[C@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1360602508 BIXQDQDTAFISHB-GOSISDBHSA-N 451.575 1.877 30 10 JDEE CC[C@@H](C)[C@@H](NC(=O)Cn1c2c(cc(C#N)c1=O)CN(Cc1ccccc1)CC2)C(=O)OC 1473061850 BQQXKNMNKQDDPR-UZUQRXQVSA-N 450.539 1.982 30 10 JDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1503702094 FFXVDVMYUVXMTK-MOPGFXCFSA-N 465.558 1.748 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1507535028 WWCCBLSHNMLVRM-GOSISDBHSA-N 476.585 1.297 30 10 JDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1507561069 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CLRCDMDXSKUTAY-UHFFFAOYSA-N 480.598 1.837 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1593636602 OEAGYAMMDVJIBG-MOPGFXCFSA-N 465.551 1.904 30 10 JDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(N2CCOCC2)CC1 1594895209 HNPKCUUZOXRSTR-UHFFFAOYSA-N 460.604 1.682 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccnc(-n3cccn3)c2)C1 1595673784 JJVZABLTEMBJED-SJLPKXTDSA-N 472.575 1.299 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(C)cccc2C1 1595760411 MLPRYXUOOIAJDU-MRXNPFEDSA-N 467.617 1.360 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CC[C@@H](O)C1 1596781933 FMUMMBAEJYPQEH-FUHIMQAGSA-N 475.619 1.099 30 10 JDEE C=C1C(=O)O[C@H]2[C@@H]1[C@@H](OC(=O)/C(=C/CO)COC(=O)/C(C)=C/CO)CC(=C)[C@@H]1CC(=O)[C@@H](C)[C@H]12 1616149984 VUJFFBGJRUFEKJ-XGCARGSTSA-N 474.506 1.198 30 10 JDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1617331799 CUFKPIIZOADVHP-UHFFFAOYSA-N 488.614 1.858 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)s1 1638240040 YDIPXHXCUZDFBT-UHFFFAOYSA-N 459.590 1.243 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2COC3(C2)CN(C(=O)OC(C)(C)C)C3)c1 1645262783 HGENEIVFOIHDMH-INIZCTEOSA-N 451.545 1.659 30 10 JDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 1668245482 LRNOCTDPMWJYIC-UHFFFAOYSA-N 457.575 1.706 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCCC2)nc1 1689853526 VCOZZKDCZWSYMK-IEBWSBKVSA-N 473.603 1.112 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2cc(C)nn2C)c1 1689873764 VZJOYLKITBOGGR-UHFFFAOYSA-N 460.542 1.547 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1689993792 LQTZWJVVCAUZQN-OAQYLSRUSA-N 452.584 1.780 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1nc(C)no1 1690037671 ZBPSBPAOSXWUKI-UHFFFAOYSA-N 481.582 1.983 30 10 JDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690161611 KVVHPQZZUXQISD-IBGZPJMESA-N 463.567 1.950 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C(C)C)C1 1690174191 AFFYOOZOHUKKAV-SJORKVTESA-N 473.690 1.555 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COCC)C1 1690245837 NMLGYMIHNAJJSX-WTGUMLROSA-N 483.635 1.455 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1690345742 CDRZEZNWXOWYLX-KRWDZBQOSA-N 482.950 1.834 30 10 JDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1690592975 ONAGDBJLUANGDE-QGZVFWFLSA-N 483.598 1.794 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1690669759 OHCOLJKARRCUND-LJQANCHMSA-N 466.590 1.669 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(N(C)C(=O)OCC)CC1 1690669906 RVHURDHBJIQPLF-UHFFFAOYSA-N 473.534 1.365 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1690670798 JADGEFQDURKKQN-MRXNPFEDSA-N 496.634 1.318 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1690670942 MJFGHCWVGUVKPW-ICSRJNTNSA-N 452.559 1.731 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N2CCCCC2)C1 1690747074 SCNDWBOQDDQYMM-MOPGFXCFSA-N 484.692 1.595 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1705567233 UWBYYBKKAUWMQK-QUCCMNQESA-N 492.623 1.598 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1705570000 JGCSGBNZBFOTOM-SIKLNZKXSA-N 464.563 1.422 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCSCC1 1705583337 WANKUSBEGUIXBQ-UHFFFAOYSA-N 450.616 1.574 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1705628542 KEVPURWVXWVZKG-CVEARBPZSA-N 463.526 1.150 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCN2CCOCC2)CC1 1705634103 JMAPPFWSTVUJFT-UHFFFAOYSA-N 454.575 1.440 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC[S@](=O)CC)CC1 1705634378 TUZRWFZIIUZYIK-JGCGQSQUSA-N 461.588 1.495 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(F)ccc2OC)CC1 1705643526 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C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1722362585 NQQFYALQVPUMJH-UTKZUKDTSA-N 452.584 1.926 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722367323 MOSWJXZVFZLPEX-SJORKVTESA-N 472.633 1.012 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)c1ccccc1 1722384497 WSLGSMGOAIAPBW-GOSISDBHSA-N 460.581 1.117 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CCC[C@H]2N2CCCS2(=O)=O)CC1 1722444998 RKLIKMYXTIKASW-HLAWJBBLSA-N 490.674 1.962 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2cnnn2C)CC1 1722450750 QADMLMXODYYPHU-IBGZPJMESA-N 497.604 1.493 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(CC)c1 1722510000 RHCXGOPXCPJUPR-AABGKKOBSA-N 493.634 1.445 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@H](C)C1 1722698930 PJLNPKPMNGFOKR-IXDOHACOSA-N 464.567 1.502 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C#N 1722729236 YVEKIBMBNBEIMZ-SJORKVTESA-N 482.607 1.783 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN2CCOC[C@H]2C1 1722729728 VKBKYCXQXBONFQ-MRXNPFEDSA-N 467.542 1.269 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccc(F)cc1 1730762241 BXDLUFPJMYAZJO-KKSFZXQISA-N 465.551 1.593 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC(F)(F)F)nc1 1740532699 KTYOOVQBFAJBRH-STQMWFEESA-N 460.482 1.731 30 10 JDEE C#CCN(c1nnc(CC)n1Cc1ccnc(OC2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 1740626499 VHIPTAGMPJVUGT-SFHVURJKSA-N 459.572 1.468 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1740626668 YGNKGIXIIXAHOM-LJQANCHMSA-N 473.599 1.579 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740628136 VSFVUVFLAMMSCU-NJYVYQBISA-N 457.600 1.712 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1740698732 UUTFHFQDSCBKRS-PZJWPPBQSA-N 486.642 1.502 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(O)CC2)CC1 1740706407 WYNWKLJLGKEMQB-UHFFFAOYSA-N 486.617 1.883 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1740710001 OQJANGNEGULHLE-LJQANCHMSA-N 487.674 1.450 30 10 JDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1740716861 BWIPKEHNYKSCEB-YLJYHZDGSA-N 472.592 1.784 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740743799 FQYMHAKONDMEHE-MRXNPFEDSA-N 455.401 1.727 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCS(=O)(=O)c1ccccc1)C1CC1 1740909893 CIWNKFIGMSOMMW-LJQANCHMSA-N 495.627 1.240 30 10 JDEE Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)n(C)n1 1742663469 AZRXJCCQUCIXJC-UHFFFAOYSA-N 468.587 1.767 30 10 JDEE C[C@H]1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)CCO1 1742951134 GLKIZVHMYIHDPU-ICSRJNTNSA-N 451.575 1.842 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(O)CCOCC2)c1 1747600535 CFDXMRGVBNXWPF-HXUWFJFHSA-N 478.550 1.179 30 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1.904 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1749629731 AZZARLMZSWAZKA-SFHVURJKSA-N 480.566 1.271 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749677055 MCSLGSGEMASTKA-UHFFFAOYSA-N 474.569 1.186 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ncccn2)CC1 1749736641 MVEWOTPAYHKAND-UHFFFAOYSA-N 489.552 1.865 30 10 JDEE CC(C)n1nc(-c2nnc(N3CCC(CC#N)CC3)n2CCNS(C)(=O)=O)c2ccccc2c1=O 1750906171 CFXVROIVUSQAOB-UHFFFAOYSA-N 498.613 1.915 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccccc2c1OC 1760116968 LWTSLQXYFZFUIX-DNVCBOLYSA-N 473.555 1.872 30 10 JDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760135203 MMNZXFYVTYQGFY-KRWDZBQOSA-N 483.598 1.514 30 10 JDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760157275 KCZISJQTFVKJNP-UHFFFAOYSA-N 452.544 1.270 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCCn2cc(C)nc21)[C@@H]1CCS(=O)(=O)C1 1760181316 SFGULYBBNONXBA-XUVXKRRUSA-N 490.630 1.711 30 10 JDEE C#CCN(c1nnc(CC)n1Cc1cccc(CN2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 1760187614 XGHIKOMKSWINKU-OAQYLSRUSA-N 457.600 1.348 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1760187863 YLZQJPFBYGKESE-NVXWUHKLSA-N 497.668 1.069 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC(F)(F)CO2)n1 1760251463 AZYIMTSYBQSJKL-AEFFLSMTSA-N 498.556 1.087 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(CN(C)CC)c2)CC1 1760261858 QPNSMMBBKXNLGZ-QFIPXVFZSA-N 470.643 1.435 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CC2([S@](C)=O)CC2)CC1 1760273499 WPXJNOGWSIURKW-UMSFTDKQSA-N 485.610 1.743 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C(=O)N(C)C)CCCC1 1760288638 HTOKJWNUIUUSFI-OXQOHEQNSA-N 450.609 1.529 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)c1ccccc1 1760290237 ZOPKEMSDAMGTBK-OXQOHEQNSA-N 465.601 1.354 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1760440750 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CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)CCS(=O)(=O)C1 2268721102 GYGQMAFECXBWQC-NRFANRHFSA-N 470.397 1.859 30 10 JDEE Cc1cnc(C(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2281955939 RBMBZMPRNXTHCV-QHCPKHFHSA-N 461.368 1.791 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282328814 DACJCSLTFGLXCH-GOEBONIOSA-N 484.428 1.643 30 10 JDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282551100 HEZNPLAYAXJCBT-HNNXBMFYSA-N 463.388 1.000 30 10 JDEE Cc1c(C(=O)N2CC[C@@H](C)[C@H](NC(=O)C(F)(F)F)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554894 KUIKYLRKCXUPGJ-DGCLKSJQSA-N 458.290 1.557 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CC[C@H]2[C@@H](NC(=O)C(F)(F)F)C3)n1 2282555302 QXJDRTYHFVTAFC-UBHSHLNASA-N 456.274 1.391 30 10 JDEE COCC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN(C(=O)OC(C)(C)C)CC1 2282580040 NMLMRFCXPWPAPA-UHFFFAOYSA-N 464.372 1.855 30 10 JDEE COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2282645744 KUVPINSQWAVJHE-CAJLXGCNSA-N 463.340 1.643 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 2282681033 UIVQQXQHFQQWMT-LSDHHAIUSA-N 461.372 1.586 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H]2COC[C@@H]12 2282707600 ATGMKCSGHUBBIF-JQHSSLGASA-N 459.352 1.745 30 10 JDEE Cc1nc(S(=O)(=O)N[C@@]23C[C@H]2CN(Cc2ccccc2)C3)c(B2OC(C)(C)C(C)(C)O2)n1C 2282844642 GXAKVOKZXQUMGN-FDDCHVKYSA-N 472.420 1.581 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2282854728 VJVGZKGYPDYSKL-QLFBSQMISA-N 482.412 1.253 30 10 JDEE COC[C@]12CCN(C(=O)CCn3cnnn3)C[C@H]1CN(c1ccc(C#N)c(C(F)(F)F)c1)C2 2297648610 IEORPNKMFMTXTG-OXJNMPFZSA-N 463.464 1.955 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)[C@H](S(C)(=O)=O)C1 2312861864 CFQRMOLUMXBCMO-LXTVHRRPSA-N 458.386 1.617 30 10 JDEE CCOc1cc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NCc2ccco2)ccc1O 2330749898 BILNLAMADLWOQV-UHFFFAOYSA-N 472.527 1.902 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1COCC[C@@H]1NC(=O)OC(C)(C)C 2337206927 VBKDIYMIJNNJIO-KBPBESRZSA-N 450.345 1.131 30 10 JDEE Cc1scc(C(=O)NCC(CO)(CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2343509899 GVCWNSWQYMAFIC-UHFFFAOYSA-N 470.397 1.334 30 10 JDEE CN1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)[C@@H](CNC(=O)OC(C)(C)C)C1 2362352018 AUASVZSJYVROMG-HNNXBMFYSA-N 463.388 1.000 30 10 JDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2371998355 MHEADCFTSXCGEF-QFIPXVFZSA-N 467.347 1.612 30 10 JDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@](=O)CC(=O)Nc3nnc(CC)s3)cc21 586362855 WPLBQFJVFLKYOD-MDQXEJNYSA-N 462.553 1.971 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)(F)F)c2)c(=O)n1C[C@H]1CCCO1 609074717 NPWZJVWFLJPFHH-MRXNPFEDSA-N 479.480 1.793 30 10 JDEE C#CCN(C(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1)[C@H]1CCS(=O)(=O)C1 729332577 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1286495349 USQPYRJFWHBOJP-SFTDATJTSA-N 469.590 1.563 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286788677 BTUKVULOHUVVKT-UGKGYDQZSA-N 495.628 1.169 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1286822909 PCHGJZBOYCHSAM-UHFFFAOYSA-N 465.649 1.962 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC(N2CCNC2=O)CC1 1286822961 PTGJONMOUJMTFN-UHFFFAOYSA-N 472.615 1.658 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1288825087 APZCZZCINUQREH-ZSOFBXJNSA-N 485.536 1.911 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)s1 1292508940 SZUAFGYCQKSPHK-UHFFFAOYSA-N 459.553 1.696 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)C1 1296328289 APKQBNYSZIEPJJ-GOSISDBHSA-N 473.559 1.177 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCOC[C@@H](C2CCC2)C1 1298101418 ANPFEVZOJVTHOM-FQEVSTJZSA-N 458.588 1.961 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1300364492 KWWLEZIBKUVOPT-CGKQSPDFSA-N 493.655 1.788 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CCS(C)(=O)=O 1300510996 CDPYTHOLXIHONN-UHFFFAOYSA-N 451.346 1.834 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNS(=O)(=O)Cc1ccon1 1300595464 BBNSTZAIDYJKLI-WOJBJXKFSA-N 488.614 1.767 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1300697608 FJBSCWSEQHACAT-JOCHJYFZSA-N 464.618 1.346 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1300722971 OGFYUAGBASPVSF-OAQYLSRUSA-N 491.596 1.383 30 10 JDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1300844725 RWGVOGBDWCXKHT-NVXWUHKLSA-N 494.438 1.707 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1300871768 CVMAHVQHIWNKNO-TWMKSMIVSA-N 494.584 1.942 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1300929041 VWEAMOQLXVVMOP-HNNXBMFYSA-N 452.556 1.939 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nccc(C(F)F)n2)CC1 1301087243 YSOGQXBBPWDKAC-OAHLLOKOSA-N 469.518 1.543 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1301569543 YRGUBAPYZXCGAY-JHJVBQTASA-N 473.543 1.124 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1301586109 ICUBXCGQCKLLNP-QGZVFWFLSA-N 496.634 1.495 30 10 JDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1301617496 FKFQGXXZTHTUIV-UYAOXDASSA-N 475.663 1.309 30 10 JDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1358908215 PLUFMEKIFGORKW-IBGZPJMESA-N 454.560 1.738 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1CCC(=O)NCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358961724 DMERKFFHPIAPBK-FQEVSTJZSA-N 455.584 1.879 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCCC)nc1)[C@H]1CCS(=O)(=O)C1 1358962060 JPQZSKMOBRBTEY-ROUUACIJSA-N 472.571 1.088 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCC1(F)F 1358994837 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30 10 JDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC)c1OC 1588386174 NHPNZXCXDKHOET-KRWDZBQOSA-N 462.572 1.908 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)cc1C 1588387553 VMMKVYOJXLIXDK-FQEVSTJZSA-N 460.604 1.493 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(F)(F)F)n1 1588723635 OEOQKJXZFDGIML-AWEZNQCLSA-N 460.482 1.225 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1595805485 PNZSMABJJLUNIK-SQNIBIBYSA-N 499.634 1.394 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCCC2=O)CC1 1595844878 IZDKZHWJSDJDHE-INIZCTEOSA-N 470.665 1.789 30 10 JDEE CC(C)CN1CCC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)C1 1607454753 CFKDQOYOZJNRIZ-LEWJYISDSA-N 493.678 1.719 30 10 JDEE C#CC[C@@H]1CCCN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)C1 1611018902 SIGPZYMCQVOJOM-GOSISDBHSA-N 458.584 1.789 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1611684082 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1722444153 UZQVZNPJAGYMBP-RPWUZVMVSA-N 475.590 1.090 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1722617399 JJRFSVNVEWYVMZ-FQEVSTJZSA-N 494.662 1.806 30 10 JDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1722685096 PBUQSZYYPMGIHM-UHFFFAOYSA-N 479.607 1.681 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCn2nc(C)nc2C1 1722694377 UHHKFEZGFMASQI-UHFFFAOYSA-N 463.365 1.991 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCN(C(C)C)CC2)C1 1722719271 SBGXTJWKFFWWDG-RBUKOAKNSA-N 467.636 1.197 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1722723958 JRAPRVRVGMEDDZ-QAPCUYQASA-N 498.005 1.624 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)C[C@H]1C 1722724190 PSSBKARWENXXAQ-GFCCVEGCSA-N 471.381 1.303 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1731180436 BGFDIWPDEIYJSC-IBGZPJMESA-N 483.953 1.892 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1740625572 RFOHHJBOTDFXBK-HXUWFJFHSA-N 498.609 1.832 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1740626746 CFIDTLAVQJDXJN-PKOBYXMFSA-N 460.556 1.822 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1 1740659836 VWGCGXAGIXMBIP-UHFFFAOYSA-N 472.567 1.268 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCOc2ncccc2Cl)CC1 1740692232 HBHWJHSQDHLBNG-QFIPXVFZSA-N 460.966 1.813 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)[C@H](C)CC)CC1 1740700978 POHVXXBODFQXNY-OSPHWJPCSA-N 467.574 1.688 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCCNS(=O)(=O)CC)CC1 1740703676 AVTMEYOBNWFHEL-UHFFFAOYSA-N 493.033 1.894 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1740715847 GOBJETDXDPFLBO-GOSISDBHSA-N 491.065 1.867 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ncnn1CC(F)F 1740763810 QJNHFUJORVBMPN-QRWLVFNGSA-N 464.521 1.875 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CC(=O)N1CCOCC1 1740955161 XHGZQAGCQSFREE-UHFFFAOYSA-N 472.615 1.873 30 10 JDEE CCc1cnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)s1 1744437380 FRPNEBNOEWPUAF-UHFFFAOYSA-N 457.585 1.966 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1747425203 CXOLLQNMMVPRTA-HXUWFJFHSA-N 485.614 1.689 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC[S@](=O)CC)c1 1748690725 WOCJABGNBACBQB-JGCGQSQUSA-N 456.572 1.339 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](OC)C2CC2)c1 1748692385 GKUUIHTYKLYYCL-QUCCMNQESA-N 471.583 1.661 30 10 JDEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1748805694 UZPLXQYKLCUFTG-LJQANCHMSA-N 480.594 1.955 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Sc1ccccc1 1748860161 XHLJDWUMHZPVEU-QUCCMNQESA-N 473.624 1.865 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC)c(Cl)c2)CC1 1749008752 AWXAIVQNDVSQDB-GOSISDBHSA-N 470.961 1.905 30 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1.464 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1749741270 VROMYRNVPJFAHM-UHFFFAOYSA-N 461.636 1.178 30 10 JDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)[C@@H](C)C1=O 1750836386 APEGNWHAGZIPDT-SFHVURJKSA-N 479.585 1.792 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2CC(=O)N(C)CC)c1 1760128288 DMHGDQZNMWTRTC-UHFFFAOYSA-N 477.525 1.540 30 10 JDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1760132523 KBLUZQZNGZTGFF-GOSISDBHSA-N 493.655 1.918 30 10 JDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1760136646 JOAPGIUGSOCGTN-FQEVSTJZSA-N 470.599 1.934 30 10 JDEE C#CCCCCn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760142695 KBQRPYBWYAUQQF-DNQXCXABSA-N 472.590 1.937 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(c2ncccc2F)CC1 1760154433 DZAIPHWACJNRJD-LJQANCHMSA-N 491.593 1.275 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1760183350 OPDCSCHNSJVWGF-PGRDOPGGSA-N 460.556 1.386 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1760184614 XCTGXRPPTOUWEY-IBGZPJMESA-N 464.613 1.569 30 10 JDEE C#CCN(c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1760190211 UMRNPYTWAYPTBV-KRWDZBQOSA-N 498.609 1.634 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(OCC(=O)N(C)C)c1 1760193678 MEDIMGLPBJACKV-UHFFFAOYSA-N 471.521 1.514 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCN(C(C)=O)CC1 1760240253 LRNLDOBWYSBXQP-AREMUKBSSA-N 498.603 1.873 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)n1 1760251915 HGMSTALZBMCTDV-VWLOTQADSA-N 474.569 1.366 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN2CCCCC2=O)CC1 1760257391 VNHXXABINAUZQS-XMMPIXPASA-N 458.607 1.477 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1760279866 ANAKNJXRDXXBJE-RBUKOAKNSA-N 477.660 1.672 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](CC)C1 1760322389 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492.602 1.612 30 10 JDEE N#Cc1ccc(-n2nccc2NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 1529617869 GJSWBSJNQHGJRT-UHFFFAOYSA-N 450.480 1.117 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1539093585 AHVVFLUUIHZBQD-LSDHHAIUSA-N 451.553 1.386 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539205050 FULMKPUVWLDMDV-LGVFNWMJSA-N 488.610 1.945 30 10 JDEE C#CCN(c1nnc(C)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1539206876 WKQHNRPPQSUTKN-ZWKOTPCHSA-N 451.593 1.860 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Br)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1539210042 AJTDNKRUSMVTAL-CQSZACIVSA-N 453.362 1.981 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1539259520 DYRZTCAWSUCSLD-GOSISDBHSA-N 478.578 1.573 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1SCCc2ccccc21 1539266869 UDFXROXWDLQLCI-NHCUHLMSSA-N 485.635 1.714 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC(F)F)c1 1539295803 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C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2cccn2)CC1 1540917447 WPLBWCFSKBKBRA-LJQANCHMSA-N 495.675 1.643 30 10 JDEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC(=O)N(CCOC)C2)cc1OC 1547956748 CPTFPPXGQXARIU-IEBWSBKVSA-N 484.557 1.576 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cccnc1-n1cccn1 1587932467 VAUKNIUGXVDIBO-UHFFFAOYSA-N 476.566 1.894 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1588049822 LPQUWOFHHYXKFJ-INIZCTEOSA-N 473.525 1.190 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)CC=C)[C@@H]1CCS(=O)(=O)C1 1588054515 NXOQSCNWPQFZBK-IAGOWNOFSA-N 454.618 1.409 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCOc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1588069250 KGVFYIRRLZHCIB-QGZVFWFLSA-N 492.001 1.760 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1588070037 VIVIHVOXLLCAKI-IRXDYDNUSA-N 454.499 1.607 30 10 JDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC1CN(C(=O)OC(C)(C)C)C1 1588128122 CUXZSNFEMBIVHZ-UHFFFAOYSA-N 452.515 1.946 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2C)CC1 1588139093 LMSOBOPRSONLBA-NRFANRHFSA-N 467.595 1.724 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(CN2CCOCC2)CCCCC1 1588560845 WJPDZGUAUUNGAR-UHFFFAOYSA-N 472.634 1.883 30 10 JDEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1588751822 NLUWDDNDCOWGFP-OFNKIYASSA-N 457.600 1.125 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1588954948 MZPOQOVJBISHCE-PZJWPPBQSA-N 452.559 1.281 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnn(C)c1C 1589496773 ZOANQIDFBHGEPK-KYJSFNMBSA-N 451.597 1.548 30 10 JDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1593718344 VFRSSKJCNRKAPC-IBGZPJMESA-N 465.562 1.866 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccco2)C1 1593747215 ROPRLZUDFGBDHS-RBUKOAKNSA-N 481.575 1.375 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1595760864 UKAOWUNMMMZOCM-QGZVFWFLSA-N 474.587 1.415 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1595788783 JNHHCOHUQARLGR-GOSISDBHSA-N 494.017 1.971 30 10 JDEE CN(CC1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1)C(=O)OC(C)(C)C 1648549549 IBHISBAQEPECJD-UHFFFAOYSA-N 450.561 1.942 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1 1689988562 RTBGTAXXFJYCIK-MRXNPFEDSA-N 454.556 1.475 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1689991024 UUTQPEJDBAZSHO-ZWKOTPCHSA-N 452.577 1.078 30 10 JDEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCS(=O)(=O)N2CCSCC2)CC1 1690414611 DCYQJYOLNUBSGU-UHFFFAOYSA-N 479.676 1.921 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1690663339 SWZJGVNBDWCQEK-LJQANCHMSA-N 482.545 1.738 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(C)C)CC1 1690723024 FJDVEFRRRYDNGY-UHFFFAOYSA-N 499.641 1.806 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC1(O)CCOCC1 1692520517 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C#C[C@]1(C)CCCN1c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCNS(=O)(=O)CC 1705672452 ZAIDJXJFWVEBNI-XMMPIXPASA-N 497.625 1.996 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sc(C)nc1C 1705674386 IAXKHEUXBHVKBN-OXJNMPFZSA-N 464.617 1.725 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C)C(=O)[C@@H]1C 1705933027 RGWCVLDKMNGPSI-INIZCTEOSA-N 454.556 1.761 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1705934798 XPVLRXFBWQOTJK-AYOQOUSVSA-N 477.562 1.936 30 10 JDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1712094165 BHKCXYRYFWYNQZ-QHAWAJNXSA-N 454.531 1.210 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)N1CCN(CC)CC1 1722296579 RYUIKTLATSKJLQ-SFTDATJTSA-N 465.650 1.936 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CN2CCCCC2)C1 1722332723 OBJDRXNHKBKQBE-WOJBJXKFSA-N 464.636 1.337 30 10 JDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1722336797 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C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncnn1CC(F)F 1722510526 VGRHARXDRGENQP-VKJFTORMSA-N 485.561 1.654 30 10 JDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1722530937 DWRXVEAAKATIEJ-SIKLNZKXSA-N 453.591 1.922 30 10 JDEE C=C(C)COCCn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OCC)CCOC1 1722538311 NQDQSVSWRGLLSX-LEWJYISDSA-N 454.593 1.538 30 10 JDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1722685337 FJDPBCBZQABKIJ-LJQANCHMSA-N 473.599 1.656 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1722726163 XNPWRSAIFDBSRJ-SFHVURJKSA-N 465.551 1.734 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722752168 XOFFLQIDGPEZHT-GOSISDBHSA-N 463.560 1.275 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCC[C@@H]1C 1723611704 CRPJSRADOMWEIW-SFHVURJKSA-N 451.579 1.494 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1740626956 XERQNEQWJWMASF-GCJKJVERSA-N 455.540 1.391 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1740639170 SKWUBIRJGUWIPK-UHFFFAOYSA-N 459.554 1.910 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1740875625 GTNVFVNRFCMMAR-PKOBYXMFSA-N 463.608 1.380 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1740962301 YSLDAUMWCQMEFX-UHFFFAOYSA-N 460.608 1.566 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccnc(C)n2)CC1 1740996200 IIDDBINUZSFGSE-HNNXBMFYSA-N 466.637 1.233 30 10 JDEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1741004934 QCAQLTCBRDMBRT-HNNXBMFYSA-N 460.535 1.062 30 10 JDEE CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)C1 1748048944 BSOZMPUNJCMPBD-NLFFAJNJSA-N 497.600 1.613 30 10 JDEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1748703779 ZOAVZKRZCYFBHF-UHFFFAOYSA-N 495.540 1.164 30 10 JDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1748790596 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C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 1749650179 MQARUFURPYTYQL-SFHVURJKSA-N 497.600 1.914 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1749686765 FDLKLBKHOCMHDV-PXNSSMCTSA-N 485.614 1.678 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(OC)C1 1749689545 GWOMMFSGULOCRY-IBGZPJMESA-N 477.587 1.449 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1749753914 CHKHPAVATLTLJV-AQNXPRMDSA-N 489.690 1.775 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccnc(OCc2ccccc2)c1 1751230846 DPPMSEWMHWTFNH-XLIONFOSSA-N 497.581 1.639 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760186298 MAMZSJBICHUPQZ-DKZVUGQWSA-N 462.547 1.175 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1760186436 CPKXNNWYJMWYPN-PMACEKPBSA-N 451.637 1.918 30 10 JDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(C)cc1N1CCOCC1 1760250651 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AEBOVENRTHMFAZ-GOEBONIOSA-N 450.590 1.732 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(CCN(C)C)CC2)CCO1 1299133228 GCIIWPALFVGQHQ-QFIPXVFZSA-N 480.617 1.042 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)c(F)c1 1300308274 OGWBLRIACFVURK-KXBFYZLASA-N 464.567 1.322 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1300501353 KCGPXWCZMQUUJL-NRYAXDJKSA-N 484.626 1.940 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(-c2ccccc2)c1 1300671741 OFWKAKYSLVVIMG-IBGZPJMESA-N 454.556 1.500 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCN2CCOC2=O)CC1 1300681737 AQQANOQLRVUXKH-UHFFFAOYSA-N 465.558 1.745 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(=O)NCC(F)(F)F)CC1 1300683447 NYGYNDPXYBESJQ-HNNXBMFYSA-N 468.455 1.991 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCNC(=O)C(C)C)CC1 1300691246 QVNSSCVQGMEOHF-UHFFFAOYSA-N 454.575 1.880 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1300711658 GOXPMNZCZIUXEB-UHFFFAOYSA-N 472.615 1.666 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccn(C)n2)CC1 1300730978 JDSHXCDFDVWWBJ-UHFFFAOYSA-N 466.571 1.017 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)cc(C)c2C1 1300761362 BSYAXEIHVWUHRH-FQEVSTJZSA-N 493.630 1.988 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC2(CC1)OCCO2 1300951925 ALDZOXRBUMCPNA-KRWDZBQOSA-N 455.581 1.309 30 10 JDEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1300980580 RETVSFKXXATNLU-UHFFFAOYSA-N 456.547 1.710 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)N2CCSCC2)CC1 1301120176 JOCLUFBKSOZIHA-INIZCTEOSA-N 454.622 1.010 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1301222114 SALOOPKGVGNFOE-RCCFBDPRSA-N 453.609 1.514 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(CC)[C@@H](C)C1 1301497509 YBPQCYGGCUIYPL-SFHVURJKSA-N 478.601 1.898 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1301499102 XIQPDXVAWNNHNM-HZPDHXFCSA-N 461.567 1.273 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1301545360 GLPHYLFNTVDOMY-MGPUTAFESA-N 452.964 1.929 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(=O)NC(C)C)C1 1301556947 KPGSNIAWKLUOIA-IBGZPJMESA-N 454.579 1.758 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CC(N)=O)CC1 1301577405 JAEQCRIAHFHEQZ-UHFFFAOYSA-N 461.544 1.366 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc(C(C)(C)C)cs1 1358948931 OYELLRRMMIACQD-OAHLLOKOSA-N 466.633 1.677 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCN1CCC[C@H]1CO)[C@@H]1CCS(=O)(=O)C1 1358964283 WTXWJGSWBPBJAK-QHAWAJNXSA-N 479.647 1.036 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1358967621 OIDMEXYVSQRNQF-ICSRJNTNSA-N 485.610 1.707 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CC1(O)CCS(=O)(=O)CC1 1358974304 YMUHDEMLHPKJHJ-UHFFFAOYSA-N 495.374 1.859 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CC1(O)CCS(=O)(=O)CC1 1358987046 PYYRFVUBPGSLTR-UHFFFAOYSA-N 494.415 1.449 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCO[C@H](C)C1 1358994035 CJKTVAFDSLUGIA-AABGKKOBSA-N 463.604 1.279 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1359043845 LBGSIPBLQJAXRH-UHFFFAOYSA-N 493.568 1.072 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2ccccc2OC)CC1 1359121718 FSVDJPUXAQSJAD-NRFANRHFSA-N 490.630 1.518 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359203780 VQSZVYAYWXEUCQ-OAHLLOKOSA-N 450.565 1.057 30 10 JDEE C=CCCCn1c(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359220936 NJJKJSCXRUQOKE-NZQKXSOJSA-N 497.662 1.916 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1359294839 GSTBMPSOVFEXLL-UHFFFAOYSA-N 453.510 1.712 30 10 JDEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359343316 QIZRAYSCLUBFDC-UHFFFAOYSA-N 499.689 1.582 30 10 JDEE CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H](C)C1 1359390801 LGZQZWBBPOFCIP-DWCFEENVSA-N 457.535 1.103 30 10 JDEE C=CCN(C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1465152585 MCDQONPFRJPRHI-OAHLLOKOSA-N 459.590 1.933 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CCOCC1 1507642043 OJXUIGRNOOLLFF-UHFFFAOYSA-N 456.572 1.161 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCCS1(=O)=O 1507713982 FCXZLFQNAMKKIC-HDICACEKSA-N 496.634 1.170 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1507715627 FHIHUVMCOHYZLZ-UHFFFAOYSA-N 451.575 1.116 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccccc2OCCOC)CC1 1507739093 MNPUTFFZWBPNQU-NRFANRHFSA-N 467.570 1.821 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCC(=O)N2)CC1 1507741007 SUNUKXYLOTYHIU-LJQANCHMSA-N 450.543 1.144 30 10 JDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1507830467 ASASJCMEQIETBH-CVEARBPZSA-N 455.581 1.786 30 10 JDEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507834385 AOQOAPWYMDUJDS-AWEZNQCLSA-N 465.341 1.887 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCNC(=O)c2ccco2)CC1 1507902139 ILGIUPARKJLPAY-GOSISDBHSA-N 478.575 1.036 30 10 JDEE C=CCn1c(COc2ccccc2F)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1508070540 BUXLZLGVJBRICZ-UHFFFAOYSA-N 462.507 1.822 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1508072310 IXHSKDLCRBKPNN-QGZVFWFLSA-N 474.009 1.937 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](NC(=O)OCC)C1 1508079099 OBIVPIVTLFFLGT-INIZCTEOSA-N 472.546 1.979 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1508082762 XCKVQSBAMVVBAG-UHFFFAOYSA-N 478.601 1.928 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CCN(C)C2)C1 1508117433 NVFSDVQABYCNKC-PGRDOPGGSA-N 461.588 1.197 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCCN(C(C)=O)CC1 1508147983 DUEZAOXQHYUMGH-UHFFFAOYSA-N 465.551 1.656 30 10 JDEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1508159104 KQZLTJOPZKURKM-SFHVURJKSA-N 462.620 1.710 30 10 JDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)C[C@@H](C)O1 1514136551 CBQXKLLQODZJON-XMSQKQJNSA-N 451.575 1.985 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccccc1C 1539012929 HEEHIFWNVDCZAN-AZUAARDMSA-N 461.588 1.846 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1539126537 XGRQWDQGJCCFMU-REWPJTCUSA-N 473.599 1.431 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCS(=O)(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539216666 VJMBTKDBDABIGM-HNNXBMFYSA-N 453.590 1.113 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1539220340 ITRKBGOTXMZQEP-RCCFBDPRSA-N 496.680 1.747 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(F)F)cc1 1539325316 GVARDHAUPVETGW-LJQANCHMSA-N 493.536 1.724 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC(OCC)C1 1539325682 LPKZJKIPSKVDBP-CMAULLTDSA-N 487.601 1.979 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCCC1 1539369676 NZGRQCJKWGYQLU-SFHVURJKSA-N 453.609 1.667 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1539438068 MIVBDYCNNXGFHO-FQEVSTJZSA-N 453.591 1.544 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[C@@H]2COCCO2)CC1 1539447107 ODABFEKATZGFIE-LEWJYISDSA-N 488.633 1.953 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccn(C)n2)CC1 1539452123 LMOGWOGVHHYFRN-LJQANCHMSA-N 470.578 1.124 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1539517186 JQWMSJLOHBFOED-QZTJIDSGSA-N 479.632 1.052 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(COC)CC1 1539630652 GMPGWBYIIYVPNG-UFYCRDLUSA-N 483.635 1.455 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COc2ccccc2O1 1540170870 RPGQPRMHFAIODW-FXAWDEMLSA-N 475.571 1.629 30 10 JDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1540856868 CQCPMOOMBKMOGK-SFHVURJKSA-N 494.600 1.041 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1540879931 RXRWNYMSUXSCDX-UHFFFAOYSA-N 490.630 1.890 30 10 JDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1552733755 HQYGNOBIMBUTFT-SFHVURJKSA-N 451.531 1.408 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1555545473 FJPLTUTVVLAGHF-LEWJYISDSA-N 488.614 1.588 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc2c1OCCCO2 1555557817 DLANZKIXXWCOCM-GOSISDBHSA-N 475.571 1.756 30 10 JDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1 1566312198 BVDBVJGWUKFHLW-KRWDZBQOSA-N 450.900 1.747 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588029561 IXRXPAQITTYBQU-YVHKJVDXSA-N 474.587 1.349 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1COC)[C@H]1CCS(=O)(=O)C1 1588050998 ZCUJHBMRFUOUQO-FQEVSTJZSA-N 454.556 1.500 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588069068 GPYSNUABDGNTHV-OALUTQOASA-N 462.620 1.828 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588069670 SHDCCKAYOYFFRY-VAMGGRTRSA-N 460.604 1.582 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1588314752 PUYCTVKSXRRDFA-UHFFFAOYSA-N 461.448 1.813 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1588811845 NCZMLCOUVHHIRY-RBUKOAKNSA-N 494.662 1.485 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H]2CCC[C@@H]2N2CCCS2(=O)=O)CC1 1588947317 NRUIGUYURVTEOQ-OALUTQOASA-N 462.620 1.011 30 10 JDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1589295409 GFACORYSBZPGMG-VXGBXAGGSA-N 489.362 1.870 30 10 JDEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1589434624 OLQDBQNOCFMADP-OAHLLOKOSA-N 455.382 1.884 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(F)cc2)CC1 1593635883 BKQFETXRKOGRCM-LJQANCHMSA-N 464.567 1.653 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)OC)CC1 1594788731 RTNFUZPDBSKJKI-UHFFFAOYSA-N 463.560 1.830 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1594963082 PQBNZWDJEGPTPO-IRXDYDNUSA-N 486.639 1.736 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1595785298 WCEVZMKRHPQOFP-UHFFFAOYSA-N 466.571 1.478 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cccc(N2CCOCC2)c1 1611696188 DAZQHKQETBUVQZ-FDDCHVKYSA-N 487.630 1.903 30 10 JDEE CCNC(=O)c1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c1 1615930675 FXROCXAITQHUDS-OAHLLOKOSA-N 459.576 1.426 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccccc2CS(=O)(=O)c2ccccc2)CC1 1628146356 GNLSKAWZDCUGDH-UHFFFAOYSA-N 453.564 1.558 30 10 JDEE C#CCN(C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 1629470480 UUXBJZKXEISYQO-SFHVURJKSA-N 453.586 1.193 30 10 JDEE C#CCN(C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)C(C)C 1666342409 DIFGGTIJTMUJMT-UHFFFAOYSA-N 450.561 1.420 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)CC1 1677567651 XKFGAPTXABTZPF-UHFFFAOYSA-N 454.980 1.183 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1689876459 ANBAYGKNHFQIEC-QZTJIDSGSA-N 452.625 1.381 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1689990094 LOROLEOBVLGAGO-KRWDZBQOSA-N 458.650 1.708 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689994281 VMAVNOOHYCSGMB-RTWAWAEBSA-N 491.683 1.914 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCC(=O)N2)CC1 1690140053 KJCJKMGYVPPGEJ-MRXNPFEDSA-N 485.386 1.952 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690667332 ZNOFFBIZQNPISB-AWEZNQCLSA-N 474.363 1.566 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1690668632 CJNNOQCUQUMEFD-GOSISDBHSA-N 492.584 1.282 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1690673530 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473.599 1.993 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2F)CC1 1286535013 DVCXDEKPZPVIAJ-ZDUSSCGKSA-N 488.387 1.658 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cnn(C)c1 1286607662 JHKMKHUVDRIHHP-OALUTQOASA-N 479.607 1.279 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)CC1 1286711235 JUVWNLSQJJTYKO-SFHVURJKSA-N 453.609 1.074 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)OC)CC1 1286780531 XUPPQFNXROYZHB-UHFFFAOYSA-N 466.340 1.237 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286784744 RZUZEHLBKNBODV-XXBNENTESA-N 490.612 1.498 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1286788052 PCNDMWCFFRKERC-KRWDZBQOSA-N 474.587 1.174 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1286818306 GHRVEMYZSOJJRY-UHFFFAOYSA-N 475.619 1.508 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCO[C@H](C)C1 1286819629 QKPRQXAGVZTKBF-MRXNPFEDSA-N 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462.352 1.290 30 10 JDEE CC(C)(C)OC(=O)NCCN(CCO)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255752965 MMQXQRXVMSUXFC-UHFFFAOYSA-N 476.426 1.555 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2255796166 MOKWOPLGKJQKJN-QWHCGFSZSA-N 473.426 1.775 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255950318 LDVKKEUCURNSDY-UONOGXRCSA-N 474.410 1.618 30 10 JDEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C 2267139586 INMSNAYPVTUHMG-UHFFFAOYSA-N 452.361 1.946 30 10 JDEE COc1cc(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2267142553 WDSWGPDWYMICNS-HNNXBMFYSA-N 450.341 1.610 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C 2267464411 HTCARVPAHZCAAX-INIZCTEOSA-N 470.397 1.458 30 10 JDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](O)C[C@H]1CNC(=O)OC(C)(C)C 2267529807 QDMPAZAWFWHHSK-KBPBESRZSA-N 467.397 1.851 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)n1 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CLSCNJQXVOLCBX-UHFFFAOYSA-N 470.497 1.158 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1286376476 LKTKOBVVAQLQEM-UFYCRDLUSA-N 466.652 1.439 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1286386727 GMXHCGCZEAIIGP-SFHVURJKSA-N 469.567 1.976 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCCOCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286387176 OSKRCGZTXUXTJR-FQEVSTJZSA-N 475.615 1.744 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1286392806 CDFJVQOPGKDPPB-IAQAZVPISA-N 492.623 1.404 30 10 JDEE C#CCN(c1nnc(CC)n1C[C@H](c1ccc(C)cc1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286395105 QTJWBGVUVLUGOA-FGZHOGPDSA-N 471.627 1.849 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1286460584 GWMCDRRZSOXJLQ-QGZVFWFLSA-N 472.512 1.253 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCCCS2(=O)=O)CC1 1286484379 MVLPLMSARAXZFA-IBGZPJMESA-N 473.599 1.588 30 10 JDEE C#CCSCCn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286513706 XIQGLPLTHHFENY-QFIPXVFZSA-N 459.620 1.745 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](COC)C1 1286789985 AVNZRHIETPFXCF-ZWKOTPCHSA-N 478.594 1.752 30 10 JDEE CC#CCCCC(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1290560495 DVGFUSVLVCMRMO-UHFFFAOYSA-N 455.964 1.951 30 10 JDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccccn2)CC1 1297786999 DBMLMCPHOTUPKA-UHFFFAOYSA-N 496.597 1.390 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1300500860 FILURPROHOAMBI-KRWDZBQOSA-N 451.593 1.090 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(N2CCCC2=O)c1 1300647872 BWDBEMIJDDJNCX-UHFFFAOYSA-N 450.543 1.775 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCOC2)CC1 1300716870 UAADIAGVSXKLET-NTKDMRAZSA-N 459.591 1.711 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCC(=O)N(C)C)CC1 1300723664 YXINEIYQNHBAQR-UHFFFAOYSA-N 476.541 1.038 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(C)C)nc1 1301296058 DTRBMSVQHJTNMN-QGZVFWFLSA-N 450.565 1.464 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1301588053 BTBZVDFLNOJHDY-ICSRJNTNSA-N 493.655 1.862 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1301588219 DFFCLSDBMZHKHS-LJQANCHMSA-N 477.635 1.055 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3CCCC(=O)N(C)C)CC2)c1C#N 1304730473 DWHOTTCFVRQLQU-UHFFFAOYSA-N 455.611 1.975 30 10 JDEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1312467911 CWCQSASFLFAFJF-XHSDSOJGSA-N 453.540 1.681 30 10 JDEE COCCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1316101154 HUODLCHXWYEKKG-JGCGQSQUSA-N 455.544 1.871 30 10 JDEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nc(C(F)(F)F)cs2)CCO1 1316539705 FRUIAUMUURMHTE-MNOVXSKESA-N 462.479 1.433 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C(N)=O)nc2)c1 1358903288 QWWAEHGNJYOSQN-UHFFFAOYSA-N 497.563 1.738 30 10 JDEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1358931335 XLTZCDKAEYUNIZ-UHFFFAOYSA-N 484.511 1.027 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1358978003 BGTFWSFIYVMUSX-OALUTQOASA-N 475.615 1.900 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccccc2Cl)CC1 1359035804 DZVQGGOPAMYEBR-QGZVFWFLSA-N 463.991 1.668 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2c(C)nn(C)c2C)CC1 1359035881 HIJWEVZBASZWAA-NRFANRHFSA-N 498.632 1.740 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1359150633 CPWZVTZCVCOFHD-KFKAGJAMSA-N 485.054 1.312 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359189521 NBHSPEDIIOXYED-SJORKVTESA-N 489.664 1.227 30 10 JDEE C#CCC1(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)CCOCC1 1439366265 GXYNXBIJOZFTRV-UHFFFAOYSA-N 450.557 1.793 30 10 JDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CNS(=O)(=O)c1ccc(Br)s1 1452938387 XRZMAEUYUSKUSF-UHFFFAOYSA-N 451.364 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490.611 1.781 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NC)CC1 1507751134 KDEUZCNPAMBEFG-QGZVFWFLSA-N 493.634 1.414 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1507800122 MCADIDVTOSSIHH-IPJJNNNSSA-N 470.622 1.697 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1507935885 VRDDNFRPMIREBF-QZTJIDSGSA-N 484.623 1.682 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1507944984 YQHVNUCYWGWSKE-CABCVRRESA-N 453.569 1.939 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N1CCN(c2ccccc2)CC1 1508041813 UZSWQUNRPUYMIF-HXUWFJFHSA-N 467.574 1.217 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)C[C@H](C)C(=O)NC 1508073583 OICWVFWKETXFOA-ZDUSSCGKSA-N 479.379 1.837 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)N1CCSCC1 1508422072 FEVBRKBPCUSPGZ-INIZCTEOSA-N 466.608 1.982 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1539101793 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C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn(CCOC)c1 1587932609 WTIYEULHZHDXPJ-UHFFFAOYSA-N 457.560 1.156 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1588069227 JSBTWJXWTJQKCI-MBSDFSHPSA-N 471.583 1.271 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CC(C)C)c1C 1588384736 AFZARQVIPUGIJX-IBGZPJMESA-N 463.608 1.280 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCSc2ccccc2)CC1 1588836667 NMXYDUUFOXIYIT-HXUWFJFHSA-N 490.655 1.159 30 10 JDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1594803199 OCWLVEVGOGILLE-KNQAVFIVSA-N 453.591 1.922 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1595290624 HUNSKINRSMQNKB-SFHVURJKSA-N 467.574 1.552 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1595555861 JPLRTZNTHCUSCD-UHFFFAOYSA-N 460.517 1.903 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1595569633 LLWVMQBJEOJVAS-FQEVSTJZSA-N 466.586 1.965 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)nnc1[C@@]1(OCC)CCOC1 1595593455 DSTYFTPIEXXGPV-RUZDIDTESA-N 497.600 1.791 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1595594794 PLNAREXEYWBUKM-GOSISDBHSA-N 451.531 1.344 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1595766156 MMGGKWCYNNUAEO-QFIPXVFZSA-N 475.571 1.280 30 10 JDEE CCCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C#N)C1 1614983560 HZKASVMFAMGIJR-QGZVFWFLSA-N 461.567 1.648 30 10 JDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)CC1 1617355987 CNXVZMUORNWIHI-UHFFFAOYSA-N 473.603 1.593 30 10 JDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccnc1N1CCOCC1 1618757373 AVNNFCVLDVKZJE-UHFFFAOYSA-N 460.542 1.669 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(CN4CCS(=O)CC4)cc3)cc2C1=O 1643287742 BWHMXEVYKYXLAR-UHFFFAOYSA-N 451.548 1.963 30 10 JDEE CCCCn1c(N)c(N(CC)C(=O)CN2CCN(c3ccc(C#N)cc3)CC2)c(O)nc1=O 1659828396 DGVCODQMRJNRLA-UHFFFAOYSA-N 453.547 1.378 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H](C(F)F)N1CCOCC1 1689840069 RVCGLOYXHOGCNM-APWZRJJASA-N 471.516 1.735 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1689929943 HTZLKSGPCVNDSP-SFHVURJKSA-N 473.603 1.417 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1(S(C)(=O)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1689992303 JALZKYZYYOOGEN-HXUWFJFHSA-N 490.651 1.771 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2COc3ccccc32)CC1 1690136681 ICWKCXSIUKPQKO-SJLPKXTDSA-N 486.598 1.030 30 10 JDEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1690169418 APOLNKDSWVLYDV-UHFFFAOYSA-N 458.613 1.885 30 10 JDEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCN(C)C2)CC1 1690375823 VFYASGGMXCYPQG-MBSDFSHPSA-N 462.595 1.810 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccsc2)CC1 1690470507 DFWRCHVWDMXGGV-HNNXBMFYSA-N 452.606 1.878 30 10 JDEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1690481904 SKAKFBTVGNXTIL-UHFFFAOYSA-N 465.558 1.936 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(O)CCCC1 1694351275 HDWQESZAHVBCBD-QGZVFWFLSA-N 481.605 1.878 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(C[S@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1705569923 LIHHHGCOBYCMAB-KATKFWMUSA-N 497.646 1.817 30 10 JDEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1705666651 XKAMNOPQBAXUBB-UHFFFAOYSA-N 467.592 1.834 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)N(C)C 1705670538 YLZMKZZWSSHCOY-JOCHJYFZSA-N 458.588 1.666 30 10 JDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2oncc2C1 1705687682 HWHRDVSKSIQEST-CQSZACIVSA-N 473.353 1.070 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705700014 NVVHBBKCUMMQMZ-NMLBUPMWSA-N 467.636 1.919 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CCC)C(=O)C1 1705700591 WBFFBGXUMFTLJV-GGPKGHCWSA-N 465.620 1.610 30 10 JDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705741523 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C#CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1722371392 WAEFAGIFRRGWBV-LJQANCHMSA-N 497.625 1.958 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCc2ccccc21 1722383444 HWLKIFKVYNXNIA-UNMCSNQZSA-N 467.595 1.804 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722501073 VRJJAKNERYGKTR-BCYZHJNNSA-N 454.593 1.607 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1722603063 FPJRXJPNDVVJPV-WOJBJXKFSA-N 482.651 1.126 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 1722729264 HKUNWWTVWRQHAI-MRXNPFEDSA-N 483.541 1.089 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1722783930 SQAUXZDBTROVLW-XUTLUUPISA-N 469.933 1.793 30 10 JDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCN2CCN(C(C)=O)CC2)CCOC1 1728789444 GDFLLWNVKDQMSI-HSZRJFAPSA-N 459.595 1.224 30 10 JDEE CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1 1729595001 CCMYBNBDOJMKRO-XMMPIXPASA-N 451.575 1.578 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(=O)N(C)C)c1 1740551974 MJHJUMXKFLZUNO-AEFFLSMTSA-N 459.572 1.153 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1cscc1C)[C@H]1CCS(=O)(=O)C1 1740615315 AJAJEZLCKIOCTB-KRWDZBQOSA-N 470.580 1.970 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1740615327 BAIJDCLFKAWROC-IBGZPJMESA-N 473.603 1.126 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1740620637 GAVHNOOTZHYFIG-RTBURBONSA-N 459.620 1.426 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1740627289 GENMRLNRFDEHGN-FQEVSTJZSA-N 479.566 1.620 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCC(=O)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1740628196 OKBQRAPQFLVUMG-QZTJIDSGSA-N 451.593 1.405 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N1CCN(CC)CC1 1740639119 RHGJBTBNQAUEBT-HXUWFJFHSA-N 472.597 1.291 30 10 JDEE C=C(Cl)Cn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740816002 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C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748811160 CMRYOFUGWNXLEE-REWPJTCUSA-N 468.583 1.603 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(OCCC)cc1)[C@H]1CCS(=O)(=O)C1 1748820646 GNLHOBPDFLALAQ-FQEVSTJZSA-N 485.610 1.864 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1748821334 PIVBMGWZFCQHDN-QTEAWJPNSA-N 460.625 1.601 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1748875018 HZMXTXYLTVMUEZ-IBGZPJMESA-N 473.512 1.872 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1748929418 JCODTZZAPHGTQF-QZTJIDSGSA-N 498.650 1.574 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)NC 1748945264 OMEGJWKKORXUOM-UHFFFAOYSA-N 474.518 1.334 30 10 JDEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749043982 MUARDXGQRAZFMI-IBGZPJMESA-N 452.584 1.902 30 10 JDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1749227034 YJDMWVYLSMWKFZ-GJZGRUSLSA-N 453.565 1.856 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1749411998 IRCRBAUSAANDGS-HNNXBMFYSA-N 452.581 1.856 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)N1CCSCC1 1749539159 VIVIEESPIAHDIO-LJQANCHMSA-N 490.655 1.800 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(F)cc(F)cc2C1 1749650638 DBGYJPLMRNBHAS-GFCCVEGCSA-N 454.503 1.031 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1749682063 NVHGNAOKNXFIST-UZUQRXQVSA-N 462.595 1.364 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)C1 1749713522 UJGDSGWWYNIDLB-IYWMVGAKSA-N 481.663 1.849 30 10 JDEE COCCN(C)CCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1749773667 DBTPAJZSOCIQCC-UHFFFAOYSA-N 480.617 1.681 30 10 JDEE COCCN(CCC#N)c1nnc(-c2cccc(Br)c2)n1CC(=O)N1CCOCC1 1749824379 GWURLOCCXOASQU-UHFFFAOYSA-N 477.363 1.933 30 10 JDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCCS1(=O)=O 1760176138 ZMKBLXZNJSZVTQ-DLBZAZTESA-N 467.592 1.623 30 10 JDEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1760185119 QAOSXNLZZIREPQ-LJQANCHMSA-N 466.567 1.646 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(OC)nc1OC)[C@@H]1CCS(=O)(=O)C1 1760190647 SWOOALQDKPULHP-LJQANCHMSA-N 482.566 1.351 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(OC)c(OC)c1OC 1760193079 SKTPZPPTRNMVGH-UHFFFAOYSA-N 451.527 1.855 30 10 JDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCS(=O)(=O)N2CCSCC2)CC1 1760260868 CWJSCWSXZHYJDS-UHFFFAOYSA-N 454.666 1.001 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC[C@H](CO)O2)CC1 1760263575 HMRAOCCAPMQUBT-ZCNNSNEGSA-N 474.606 1.645 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1760310320 BFLDDMLNWHMYMA-AWEZNQCLSA-N 452.357 1.349 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1760529790 GQKLBHSLJBEYSZ-UGKGYDQZSA-N 488.633 1.970 30 10 JDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)CC1 1767690313 IBFMHULVSDXJGF-UHFFFAOYSA-N 456.572 1.604 30 10 JDEE C=CCn1cc(OCC(=O)Nc2ccccc2C(F)(F)F)c(=O)cc1CN(CCO)CCO 1870699091 QJIPBBMJOPRHGG-UHFFFAOYSA-N 469.460 1.857 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)CC1 1890378475 VHPMJEVMUCALDX-UHFFFAOYSA-N 480.609 1.711 30 10 JDEE CCCN1CCN(c2ccc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nn2)CC1 1890633403 XIVVLOUVBFFMPI-UHFFFAOYSA-N 455.588 1.391 30 10 JDEE Cn1nc(CNC(=O)OC(C)(C)C)cc1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180981987 YUQDWGGSDLANBU-UHFFFAOYSA-N 458.328 1.786 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255833383 CBONPIHAHHORQL-ZDUSSCGKSA-N 453.370 1.808 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H](CO)NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255933539 PTARWRWXJAPCHA-AWEZNQCLSA-N 456.370 1.150 30 10 JDEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(C)(C)O 2256625688 AJSQYRYJSAEPOR-IBGZPJMESA-N 456.374 1.252 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256639283 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C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 1300479085 ICMWTPRSTUMXEK-HXUWFJFHSA-N 485.610 1.837 30 10 JDEE C#CCN(c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1300491130 DYLJQIMXFUZABX-GOSISDBHSA-N 498.609 1.899 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[S@@](=O)CC)CC1 1300719165 QGPMNSNUFQQMTE-XIFFEERXSA-N 473.599 1.697 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)[C@H]1CC 1300743629 WKSVELZHUFQGCO-GOSISDBHSA-N 476.628 1.277 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@H]2C1 1300872136 FGHLDSIROZPXRR-RDGPPVDQSA-N 452.625 1.544 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1300952108 LDDUHKDOPDMCBI-FQEVSTJZSA-N 494.593 1.661 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1301500712 OSVNYJJZEXUQAE-NRFANRHFSA-N 487.649 1.245 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@H]2CCCCO2)C1 1301555468 BYXMHXDJOBOYIH-IPMKNSEASA-N 469.608 1.352 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1301567911 MTEWRIQCPNLVCJ-UHFFFAOYSA-N 477.513 1.406 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOCC2(CCC2)C1 1301575902 MOFOBTVNIQWLSL-UHFFFAOYSA-N 494.639 1.956 30 10 JDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCCCS1(=O)=O 1302953921 FSDCRNAYYVDCLB-ZWKOTPCHSA-N 472.619 1.821 30 10 JDEE C#C[C@@H](NCC(=O)N(CC(C)C)c1c(O)nc(=O)n(Cc2ccccc2)c1N)[C@@H]1CCCO1 1307703373 SJNCKOIHVINRIC-MOPGFXCFSA-N 453.543 1.339 30 10 JDEE CCN1CCN(C[C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 1313954580 BYIWPANAGSBKMO-RXFWQSSRSA-N 494.644 1.704 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358955569 OITOCFBFQNVPRH-MOPGFXCFSA-N 471.583 1.608 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1358967150 FDYFSKGGQNKLSZ-WZONZLPQSA-N 490.582 1.298 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)CCC)CC1 1359035848 GKNYXXVKTMKGLY-CYFREDJKSA-N 476.622 1.893 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2COC)CC1 1359039901 AIMVPGUXVMBAHY-UHFFFAOYSA-N 452.559 1.577 30 10 JDEE C#CCSCCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359054104 JTLUFPHDLHEKBL-RXVVDRJESA-N 453.616 1.695 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)Nc2ccc(F)cc2)CC1 1359165636 SYACJRUQXJGPLU-SFHVURJKSA-N 478.550 1.545 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@H](OC)C(F)(F)F)CC1 1359179392 UKWGNCWNPGMSBU-HZPDHXFCSA-N 481.541 1.981 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1359294541 WYJJRKXKZJBQIA-QGZVFWFLSA-N 464.473 1.190 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1359304626 DGYOKUZJIYMWRP-XMMPIXPASA-N 481.557 1.653 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1359329461 JKESBCGBGVSYLF-UZUQRXQVSA-N 492.598 1.947 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1359330609 XKAPJHGFUXBBPM-GOSISDBHSA-N 459.576 1.295 30 10 JDEE C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)Oc1ccc(F)cc1 1360568672 DLFNVIMTLMOCOI-FYINFDKHSA-N 496.540 1.660 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)CC1 1478232175 YGGKFGLCOJQRPW-UHFFFAOYSA-N 455.540 1.234 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN2CCCC2)c1 1507551761 YUBFMAGNZSUXLL-PZJWPPBQSA-N 498.653 1.968 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1507587765 ACNWGADILZGHPE-SFHVURJKSA-N 482.010 1.716 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1507636017 XELRWYGBBKWBEO-YRVHBCJASA-N 452.646 1.939 30 10 JDEE C=C(Br)Cn1c(N2CCC(NC(=O)COC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507794141 WBOKIBSZEQYVNV-HXUWFJFHSA-N 486.411 1.959 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)=O)CC1 1507798713 UEBUBAOVEXKBNW-CTNGQTDRSA-N 473.599 1.998 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCO[C@H]1C 1508031910 BEQBJEYKFHRNDE-FVJLSDCUSA-N 450.561 1.548 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(C)C)CC1 1508081352 XKOXUASVVHSSKZ-UHFFFAOYSA-N 474.635 1.318 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1508089547 CCHDKMSVFPHWMU-DEOSSOPVSA-N 454.575 1.769 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N1CCOCC1 1508106390 XVYKTGCPPQTVJU-IBGZPJMESA-N 489.598 1.088 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](C(=O)NC)C1 1508137566 NRHPNXZLOXAAQU-INIZCTEOSA-N 453.952 1.151 30 10 JDEE C[C@](O)(CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)c1ccccc1 1510232027 CEZWCZCDXFFDOE-OFNKIYASSA-N 488.614 1.649 30 10 JDEE CCc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)s1 1513775234 GCWUDPOHLBPPJH-UHFFFAOYSA-N 472.600 1.797 30 10 JDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1517066228 BFHQBEBYIYNTTI-QGZVFWFLSA-N 474.587 1.657 30 10 JDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)CN2CCOCC2)cc1 1518333822 DLNLVXVTVQDWDQ-RXVVDRJESA-N 456.547 1.563 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(F)(F)CNC(=O)OC(C)(C)C 1538971111 GLQXLMAYLXLXLH-QWHCGFSZSA-N 464.539 1.506 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1539179710 RCSDSRGVNWXMTD-BZSNNMDCSA-N 496.634 1.326 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1539211959 MBNIGLFTCZHCRI-AOMKIAJQSA-N 492.623 1.457 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1539226064 UDHAZBILFZTKTP-OAQYLSRUSA-N 499.637 1.907 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CCCN1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 1539230268 LGEWKSRODREYPG-JOCHJYFZSA-N 485.654 1.537 30 10 JDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCN(C)C(C)(C)C1 1539363168 NOFGHNQTBFXTTN-UHFFFAOYSA-N 472.663 1.724 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nc(C)cs1 1539369955 QJGUUDCKHDKEOA-GOEBONIOSA-N 452.606 1.639 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCN(C)C(C)(C)C1 1539399796 TUQBOKCIAZSXHT-UHFFFAOYSA-N 455.563 1.965 30 10 JDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1539408923 IEPMNVMYOKISEG-GOSISDBHSA-N 498.506 1.745 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C1CCCCC1)N(C)C 1539415604 GBIUGRSNDILAJD-WOJBJXKFSA-N 451.637 1.777 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCCCCC2)CC1 1539469276 QPWKFGFUHNMEBG-VWLOTQADSA-N 472.634 1.772 30 10 JDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539516963 GOVXMRKLCMZODE-QFBILLFUSA-N 477.612 1.627 30 10 JDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1539518013 UYCWZZOYVICUKK-FQEVSTJZSA-N 460.648 1.673 30 10 JDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1539759018 WMKUMSUAHOEQDY-UNMCSNQZSA-N 487.649 1.372 30 10 JDEE C=C(C)COCCn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1539759239 GDYWRKNOBWPZSM-DHIUTWEWSA-N 476.578 1.337 30 10 JDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)c1ccccc1 1539766366 RORAZWHAJNZXFL-MRXNPFEDSA-N 487.586 1.122 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCS1(=O)=O 1540171366 YVOIZWBGIDSGMS-GOSISDBHSA-N 496.634 1.800 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1540903094 YHPLOHZLHAWZAU-DLBZAZTESA-N 480.635 1.209 30 10 JDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(CS(C)(=O)=O)CC1 1545545614 ALUZWZUQYAXIRH-IRXDYDNUSA-N 472.619 1.993 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588046101 XDGJNOQKYFMPTG-QGZVFWFLSA-N 476.603 1.825 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1OC 1588637679 JIXUTPKLDLGWEU-APWZRJJASA-N 452.515 1.731 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@](C)=O)CC1 1588646944 PUHHIFHWFTZRSE-JSRFKQPZSA-N 481.619 1.584 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1589060444 RXTMHRZBEAOFDT-LJQANCHMSA-N 452.584 1.948 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C)n1 1589215425 AARUZRDWQKKHOW-YLJYHZDGSA-N 464.617 1.611 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1593636081 FBAXIADILDFTLQ-FXAWDEMLSA-N 477.587 1.853 30 10 JDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1595831269 OORGEPZGJMSXNN-UHFFFAOYSA-N 451.524 1.408 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1619912430 CMXWNJYIODZCAZ-DBXWQHBBSA-N 451.593 1.752 30 10 JDEE N#Cc1ccc(OC2CCC(NC(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)nc1 1630884012 FBPWSRIFASYFGN-XVAXZDLZSA-N 455.559 1.473 30 10 JDEE C#CCNC(=O)CN1CCN(CC(=O)N(C)[C@]2(c3ccccc3Cl)CCCCC2=O)CC1 1645866674 DDCMAMNXMPZRJI-DEOSSOPVSA-N 458.990 1.504 30 10 JDEE C=CCC[C@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1648528670 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C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1705573122 ZTKXQBXZDUBPBS-XDOYNYLZSA-N 491.939 1.461 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1705574049 SUOLOIWGSMNUNS-YLJYHZDGSA-N 484.582 1.127 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1705577295 ZFPITIZQKZJVCQ-SQJMNOBHSA-N 497.621 1.996 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1705612066 YBPABCGQZGRRNS-UHFFFAOYSA-N 498.609 1.464 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1705721430 ZCHGCFVOSRBXCB-QYZOEREBSA-N 481.667 1.281 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1705901812 XIRMSJPFZQDVMI-CYBMUJFWSA-N 470.452 1.856 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@H](C(=O)NC)C1 1705902063 FJLOLTSMAHKZBQ-FQEVSTJZSA-N 480.525 1.371 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705932738 JJKHZNUOGTZYOD-OAHLLOKOSA-N 471.580 1.203 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1705935940 HBMMIMWFWFANEV-RBUKOAKNSA-N 480.635 1.703 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1705939013 POMKRUDMHRDHDE-PZJWPPBQSA-N 489.690 1.812 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCS(=O)(=O)C1 1722289255 CASLNGCMGJKATC-BZSNNMDCSA-N 481.619 1.869 30 10 JDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN1S(C)(=O)=O 1722415283 BQXWXVMHVQJWOI-OAHLLOKOSA-N 450.590 1.153 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1c(C)noc1C 1722427787 ZKBHTZDYDSSRRV-YJBOKZPZSA-N 480.591 1.106 30 10 JDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCN(C)CCCOC)CC1 1722437500 DQZVPVPAQTUWKZ-UHFFFAOYSA-N 464.574 1.317 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)N(C)C2CCCCC2)CC1 1722440371 IDYVGDDKHGLYJH-UHFFFAOYSA-N 452.607 1.686 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1722441242 OPAXGSLWKBQAKZ-AABGKKOBSA-N 476.622 1.918 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCCNS(C)(=O)=O)CC1 1722445078 LBKNGEWLAFSYRY-UHFFFAOYSA-N 479.006 1.504 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCS(=O)(=O)c2ccccc2)CC1 1722449800 ZPPRYTCRHOKJPC-UHFFFAOYSA-N 492.605 1.704 30 10 JDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(F)(F)CNC(=O)OC(C)(C)C 1722631679 UEZGZNUQHONPMF-GFCCVEGCSA-N 452.528 1.671 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1722700697 QWWKNQQZBXCKEC-NRFANRHFSA-N 452.607 1.171 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1740581610 BZBOYEFKPMDEGC-AZUAARDMSA-N 470.599 1.666 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740616410 AMJARRIVZQDBHI-SJLPKXTDSA-N 471.649 1.485 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)c1cc[nH]n1 1740638511 NQILJRJCNCSGBY-GOSISDBHSA-N 480.573 1.619 30 10 JDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1740658918 RKBYCLPPMVNGBM-VQTJNVASSA-N 472.615 1.068 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCCOC)CC1 1740756020 DXVVPRDGEWUXSZ-AZUAARDMSA-N 457.579 1.639 30 10 JDEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1740792914 CIZZAPRQIYDAAM-UHFFFAOYSA-N 465.562 1.105 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1740825115 JTRBBVPQVLNPJB-OALUTQOASA-N 466.652 1.888 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1740889125 ZGQATDVBSPNSKS-LJQANCHMSA-N 473.599 1.935 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCS(=O)(=O)CC1 1740922954 XQZCZLRCGMNXBD-HNNXBMFYSA-N 487.673 1.967 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CCOCC2)CC1 1740944122 VAKZVJACELSFLO-UHFFFAOYSA-N 460.604 1.682 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1740946835 JFYZOBCPDGZDFP-QZTJIDSGSA-N 469.514 1.653 30 10 JDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1741006960 TXIGNAVMOLDNBK-QESAQDPVSA-N 492.690 1.910 30 10 JDEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)N1CCOCC1 1741311015 FEWZYWMAFBXKBH-NHCUHLMSSA-N 451.575 1.875 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1741675506 BNSBFBZQPHCAAS-AKHDSKFASA-N 481.605 1.997 30 10 JDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNS(=O)(=O)c2ccc(C)s2)n1 1742332751 HSQVLGLEVQEXPW-MRXNPFEDSA-N 473.584 1.726 30 10 JDEE Cc1ncc(CN2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(C)(=O)=O)CC2)s1 1742626395 GSUAYUACPLHPDG-UHFFFAOYSA-N 471.612 1.949 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1748732378 ZDOIJVGRTBNROW-KRWDZBQOSA-N 476.578 1.793 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1748806126 ZPFSKBQPGIUXGB-OPYAIIAOSA-N 468.645 1.699 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1748818334 AOAQQSZWXLRJCO-FGZHOGPDSA-N 486.642 1.247 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CCCCC1 1748963898 CXNOOYUGOKJTBY-KNQAVFIVSA-N 483.635 1.028 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(=C)Br)CC1 1748979852 PQURMSOPDYCQEK-UHFFFAOYSA-N 493.431 1.859 30 10 JDEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749109589 RQGZMXPDBUROHH-QGZVFWFLSA-N 491.394 1.815 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCc2nn(C)c(=O)cc2C1 1749118432 GJHOUJJCKHHPRU-FIKGOQFSSA-N 458.563 1.640 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749660034 MNCWCAPIJCIICH-GOSISDBHSA-N 468.558 1.856 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1749677470 AAJWRKDRWZKSJZ-UHFFFAOYSA-N 475.594 1.586 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ccc(C#N)cc3F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749682507 UMDQDKDJZHXHAL-VWLOTQADSA-N 497.575 1.958 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1749732170 RFCAVJZBWHUDHA-SFHVURJKSA-N 474.587 1.130 30 10 JDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1760129804 ZNAKTQMGFRHAKT-UHFFFAOYSA-N 450.547 1.130 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1760173062 ITFLIHBRCNRDTR-UHFFFAOYSA-N 475.571 1.712 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1CC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1760182744 LQKDBNSRQUPMPR-KRWDZBQOSA-N 456.572 1.988 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1760198857 KDUCYBFGBMEFJT-WOJBJXKFSA-N 459.558 1.493 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCC(C)CC1 1760232726 CPKXMDXXJSRJTJ-OALUTQOASA-N 452.625 1.191 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)C(=O)OC(C)(C)C 1760235535 PSBLBLNRFZBCAW-QGZVFWFLSA-N 484.623 1.328 30 10 JDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C)n(C)c1=O 1760253444 QGBQRGYVBUNXIY-UHFFFAOYSA-N 454.556 1.411 30 10 JDEE 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C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722326369 SMBNYFFQNWPBCH-JOCHJYFZSA-N 458.588 1.571 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1722358931 GYJFMQKKQRGZNH-RBUKOAKNSA-N 490.607 1.320 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2([S@@](C)=O)CC2)CC1 1722437661 OQKRMTVDJDPUBB-USXNREEHSA-N 492.646 1.253 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2ncn(C)n2)CC1 1722444305 WJINDYGBFWLGGH-UHFFFAOYSA-N 489.403 1.912 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC)cc2OC)CC1 1722447290 HGOCBQRYARKPGD-LJQANCHMSA-N 453.543 1.813 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1722449018 KWUDFBFOFLGSBL-FQEVSTJZSA-N 483.686 1.922 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1722685512 INPUCMLFPPUFOG-IBGZPJMESA-N 490.586 1.256 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1722697697 QBLJSHQXNBEJSY-INIZCTEOSA-N 469.571 1.796 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCS(=O)(=O)C(C)(C)C)C1 1722710020 CAMFTKLQUVLNJH-LAUBAEHRSA-N 456.609 1.925 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C)s1 1722728050 NHRHYCWONNOKPD-OAHLLOKOSA-N 458.631 1.787 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOCCCO)C[C@@H]2C)CC1 1722799852 UPYNCFRGYRFVDQ-WMZHIEFXSA-N 481.601 1.205 30 10 JDEE CC(C)CN1CCO[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)C1 1723477451 CFWPGKKEFDBMDF-NRFANRHFSA-N 495.632 1.366 30 10 JDEE N#C[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CC(=O)N2CCOCC2)CCO1 1731188085 BHYGSKMTVHVDAK-AWEZNQCLSA-N 479.310 1.434 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2cccc(OC)c2)CC1 1740550092 HPMLTIPEZZUBHR-PXNSSMCTSA-N 473.599 1.809 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)(C)C)CC1 1740574107 JRGOFFGUUNALPM-GOSISDBHSA-N 452.625 1.335 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1740625158 DJPSBLPZFRNSSO-MSOLQXFVSA-N 461.613 1.964 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)CCC(C)C)CC1 1740705972 PGECQIQQEWTYIC-CVDCTZTESA-N 479.647 1.333 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1740782724 MOAFWNOCURRZBZ-ZWKOTPCHSA-N 464.596 1.237 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1740818424 JSDYKOFWNONFOB-OAHLLOKOSA-N 488.661 1.393 30 10 JDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1740890703 GPSNGESFSCQVDU-LJQANCHMSA-N 453.952 1.033 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1740950741 FYQLAPBKVLCWBP-UHFFFAOYSA-N 453.503 1.894 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740953396 FAYVVKXQGCPCNP-UHFFFAOYSA-N 453.547 1.594 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1740954783 GQESFGGKHOJYJZ-FQEVSTJZSA-N 477.363 1.720 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)OCc3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1740964888 JDUAPDYCQKAIMZ-RUZDIDTESA-N 498.584 1.691 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1740988649 LPUXFOJUNCATSC-IBGZPJMESA-N 469.571 1.458 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1740991301 SLFPUDZOSDJPIG-UHFFFAOYSA-N 450.653 1.751 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@@H](C)C1 1740994626 QMMRYUYDXQHGAZ-AWEZNQCLSA-N 455.631 1.812 30 10 JDEE CC(C)OCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1741763598 AUWZQOYOSUNFGL-XMMPIXPASA-N 453.591 1.430 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc(CNC(=O)c3cccs3)n2CC2(S(C)(=O)=O)CC2)C1 1741987646 GOLPSPXJIRLOIF-LJQANCHMSA-N 462.601 1.977 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1748730219 GGWBTHLPVBZPTR-KRWDZBQOSA-N 450.503 1.105 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC(=O)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748812583 XFNNZYRJDQYRRO-SFHVURJKSA-N 452.540 1.929 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](OC)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1748814264 BXMVNBMRDXVVAC-QYZOEREBSA-N 475.546 1.383 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748820923 JITABQKTQWBJHH-INIZCTEOSA-N 479.628 1.711 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC(F)(F)F 1748826685 YLRAERLDQZQARK-HNNXBMFYSA-N 469.489 1.951 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC2CCOCC2)CC1 1749001719 ZQOJEGFZUJNDGS-UHFFFAOYSA-N 456.591 1.687 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@]2(O)CCN(C)C2)CC1 1749015306 CHBHCFXOCWGHCR-SANMLTNESA-N 464.614 1.486 30 10 JDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1749020695 ZUWVNNRRYPPOMX-GOSISDBHSA-N 482.676 1.567 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCCN(CC)S(C)(=O)=O 1749080738 SEOBTVPETASCHY-BBTUJRGHSA-N 453.609 1.666 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1749226996 WUCRAGRVCFDAIQ-KRWDZBQOSA-N 456.507 1.452 30 10 JDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1749324124 QNCVWFAMNSLLCW-UHFFFAOYSA-N 463.564 1.024 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1749411812 GVBNZPIGMAUMRE-IRXDYDNUSA-N 453.613 1.437 30 10 JDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1749455549 YNWGBWKREQEDKO-MRXNPFEDSA-N 451.531 1.452 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1749657722 BPOOAPPTFXAOFM-RDJZCZTQSA-N 492.671 1.952 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@@H](C)C1 1749669869 OSUFLXGHIXBVCI-DLBZAZTESA-N 464.567 1.504 30 10 JDEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@H](C(=O)NC)C2)cc1 1749686252 RROZCWKKSWSANQ-IBGZPJMESA-N 452.559 1.976 30 10 JDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1749724656 KWBQPCKBXLDECC-UHFFFAOYSA-N 452.625 1.004 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1749731433 DHJATTOVMNDQSL-LSDHHAIUSA-N 479.525 1.278 30 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1.720 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@]3(CCOC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760528676 JSLTUYVVILTOKY-MFEFFIJZSA-N 460.579 1.968 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1760555751 MKOOLAJUYHVCEE-MSOLQXFVSA-N 454.593 1.547 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1760555752 MKOOLAJUYHVCEE-QZTJIDSGSA-N 454.593 1.547 30 10 JDEE CCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 1763908446 AZPSFMJCMSTDMB-IAGOWNOFSA-N 487.634 1.845 30 10 JDEE CCN1CCN([C@H](C)Cn2c(N3CCN(c4c(C#N)c(C)nn4C)CC3)nnc2C(C)(C)C)CC1 1765508266 HDHFKSGFZAYCJU-LJQANCHMSA-N 482.681 1.842 30 10 JDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCCN2CCCC2)CC1 1768456018 DESGZHYMLNNXBR-UHFFFAOYSA-N 451.575 1.986 30 10 JDEE CN(C)CCOc1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1768511794 BNTUNCGXIYIZPR-PZJWPPBQSA-N 488.614 1.092 30 10 JDEE COc1ccccc1Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)N(C)C 1768927400 HOQYVIOFEPETPY-QGZVFWFLSA-N 475.557 1.342 30 10 JDEE COc1cccc(-c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2CC(C)(C)O)c1 1770344208 AUTLTDCUDZKCQG-UHFFFAOYSA-N 450.547 1.965 30 10 JDEE COc1ccc([C@@H]2[C@@H](C(=O)N3CC(Oc4cccnc4C#N)C3)OCC(=O)N2C(C)C)cc1 1891422018 BDOPILJYBIBQIC-PKTZIBPZSA-N 450.495 1.929 30 10 JDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(O)(C2CCN(C(=O)C(F)(F)F)CC2)C1 2124216297 ZIWKDZIGCZEGEO-OAHLLOKOSA-N 461.481 1.667 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2206631261 WAGFSOQBECUBCF-XIRDDKMYSA-N 463.340 1.051 30 10 JDEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)s2)OC1(C)C 2255940712 DDUGMWSZUAHXTI-MNOVXSKESA-N 466.312 1.583 30 10 JDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267376423 VNWINHOMVHKHER-MRXNPFEDSA-N 470.397 1.492 30 10 JDEE CC(C)(C)OC(=O)N1CC(CCNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267704110 IJBBVPRVWHKTGU-UHFFFAOYSA-N 467.397 1.916 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1CCN(Cc2ccccc2)CC1 2267714650 ZDAOXZIAWJVCGK-UHFFFAOYSA-N 460.409 1.662 30 10 JDEE Cn1ncc(C(=O)N=[S@]2(=O)CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281827192 SHKYSQUWEYCNKU-UUBFPDNSSA-N 482.412 1.872 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)n1 2281951826 NYOLAIJNXSZDCF-CABCVRRESA-N 463.388 1.928 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2281980083 RYBZXMMPTFDMMU-JLCFBVMHSA-N 462.356 1.465 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282348757 PAFYYNUDBCJIGO-QGZVFWFLSA-N 482.408 1.900 30 10 JDEE CC[C@@]1(NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2282493236 VJWGXIUGQVGACD-OAQYLSRUSA-N 484.428 1.787 30 10 JDEE Cc1c(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282541674 BMYFDYMMXAHTTO-LJQANCHMSA-N 454.380 1.659 30 10 JDEE CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2282625615 XPBGEKPILCZLHW-UHFFFAOYSA-N 461.372 1.058 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CCC1 2282864982 NRCZWLIHBKZIMB-OAHLLOKOSA-N 484.428 1.691 30 10 JDEE CC(C)(C)OC(=O)N1CC(C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)(S(C)(=O)=O)C1 2351692980 IJPMJMNFNLZBFU-UHFFFAOYSA-N 470.397 1.811 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)n1C 2362341231 RNKZODIWDDKCFO-GJZGRUSLSA-N 460.384 1.965 30 10 JDEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362352883 HGUQTMKJMZKVPH-HNNXBMFYSA-N 464.372 1.427 30 10 JDEE CCOc1ccc(/C=N/Nc2nc(SCC(=O)Nc3nnc(SCC(N)=O)s3)n[nH]2)cc1 20833194 QMKHEUDVPIFFJT-FBCYGCLPSA-N 493.600 1.809 30 10 JDEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccncc2)c1C 103092950 WDRQMZZNDBTTGJ-HWCXCKHPSA-N 468.510 1.567 30 10 JDEE Cc1nn(-c2ccccc2)c(N(C)C)c1/C=N/Nc1nnc(SCC(=O)Nc2nnc[nH]2)[nH]1 253572901 QSYZXIWBJDVMRK-ZVBGSRNCSA-N 466.535 1.660 30 10 JDEE Cc1ccccc1OC[C@H](O)Cn1c(NN=Cc2ccccc2O)nc2c1c(=O)nc(O)n2C 254615056 PCAFSROOGQQYQQ-MRXNPFEDSA-N 464.482 1.736 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(CCCC)[C@@H]2c2ccc(OC)cc2)CC1 492319782 IOEQKSBRZJTLBG-ZJSXRUAMSA-N 456.587 1.831 30 10 JDEE N#Cc1cc(S(=O)(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)ccc1Br 1213519312 FDQKLISMGFVALM-INIZCTEOSA-N 457.394 1.396 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1CCN(c2ccncc2)CC1)[C@H]1CCS(=O)(=O)C1 1286380927 KEBSITPOIHJHKD-NRFANRHFSA-N 499.641 1.355 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1sccc1Br)[C@H]1CCS(=O)(=O)C1 1286389678 ONDRJWBMZDUTAX-GXTWGEPZSA-N 498.428 1.728 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(F)c(COC)c1)[C@H]1CCS(=O)(=O)C1 1286395622 SGQFLFMEPZYTPI-HKUYNNGSSA-N 462.547 1.743 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)c1ccco1 1286400684 DRIPQCYGFKQGID-UHFFFAOYSA-N 451.508 1.444 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CN(CC(C)C)CCO1 1286462220 HKGCJFPOTSMZKN-HXUWFJFHSA-N 493.612 1.635 30 10 JDEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286536456 LXXFXDYLUKTREZ-UHFFFAOYSA-N 476.379 1.463 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C(=O)NC)C1 1286787661 HVCCZXKGRGEHGZ-MSOLQXFVSA-N 489.621 1.657 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CC(=O)N(C)C[C@H]1C 1286816487 JRHNHQZWDOLESU-CQSZACIVSA-N 482.404 1.975 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1286817056 OZXZDNFDGDJHCB-SFHVURJKSA-N 458.588 1.895 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286817880 QABOSZFHJYAONH-CRAIPNDOSA-N 486.591 1.781 30 10 JDEE CC[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1291664229 AADQLBCVWITMOD-NBCNXNJRSA-N 459.572 1.791 30 10 JDEE CCc1ccccc1OCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)N(C)C 1292614638 HQMVJBOATFDHQO-GOSISDBHSA-N 489.584 1.884 30 10 JDEE CN(C)c1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)cn1 1298053174 HVDNQDXLIDRUOZ-UHFFFAOYSA-N 460.542 1.621 30 10 JDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300338376 CMSXMKMRNXPOHO-UHFFFAOYSA-N 466.546 1.303 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1300411591 VEMVVPDVKHRZDF-QGZVFWFLSA-N 450.586 1.634 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OCCO)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1300479787 SBMXFTTUOZZPII-GOSISDBHSA-N 476.599 1.630 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1300482329 FECPFYDQRYBQOR-QKLQHJQFSA-N 488.557 1.370 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1300488372 DGBQIWXLWQHHCS-WMZOPIPTSA-N 463.007 1.962 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1300491073 DOJGZDPARSXIFC-SFHVURJKSA-N 452.540 1.809 30 10 JDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)N1CCN(CC)CC1 1300663473 CWKBSJAYXDZPPW-SFHVURJKSA-N 457.579 1.118 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1300719773 PPPNJYGPQBWAIY-UHFFFAOYSA-N 482.589 1.958 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1300764310 WHRNDAVUQWENFH-IRXDYDNUSA-N 480.685 1.886 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(OC)C1CC1 1300805398 BQSAFWMOVBCQHY-UIFIKXQLSA-N 451.593 1.418 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCN(CCC)CC1 1301223043 LQHUOIGCBFAKKG-LJQANCHMSA-N 454.641 1.888 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1301340307 YDYMRZJDAGGHNK-JOCHJYFZSA-N 467.555 1.292 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccccc2CO)CC1 1301479433 ZYDVBUQCRFHZPU-MRXNPFEDSA-N 476.603 1.067 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H](CC(N)=O)C1 1301501281 URXWGLHJUZHDNG-KRWDZBQOSA-N 489.621 1.787 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCS(=O)(=O)C(C)(C)C)C1 1301566689 ATFBZTXVXROGGW-BZSNNMDCSA-N 456.609 1.997 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358890156 LTNDLMCWRNGWPO-ROUUACIJSA-N 472.619 1.192 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358955509 NDXMBCHVOGQPPO-OTWHNJEPSA-N 451.637 1.916 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1358958817 WKMRDZPYEXYSAZ-RTBURBONSA-N 494.639 1.790 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCO[C@H]1C 1359018241 JCNJTHZGTFYQDU-KSFYIVLOSA-N 461.950 1.487 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N(C)C 1359024434 MSZOSPMQSQDOHT-GOSISDBHSA-N 462.595 1.957 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(C)ccc2OC(F)F)CC1 1359036320 TVJKPOUSCCVUFQ-KRWDZBQOSA-N 479.553 1.894 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](OC)c2ccc(F)cc2)CC1 1359044286 BGWLJPCDSDRFDP-UXHICEINSA-N 468.533 1.722 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2cccc(OCC(N)=O)c2)CC1 1359046530 VNSOYEGXSLAETE-UHFFFAOYSA-N 450.543 1.109 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cnn(C)c2)CC1 1359091477 NTLULARXJVQAFU-HQRMLTQVSA-N 477.635 1.987 30 10 JDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1359303600 UXWOKWNVASIOAI-GOSISDBHSA-N 485.614 1.349 30 10 JDEE Cc1ccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1N1CCCS1(=O)=O 1465692889 GTTCGTAQVMVMKM-INIZCTEOSA-N 455.544 1.939 30 10 JDEE CC[C@H](C)[C@@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1494914928 CPPMMZZMKMYBTR-WGGBDISSSA-N 490.630 1.916 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1507635497 SROWRLUEJOQMPY-CVDCTZTESA-N 490.651 1.567 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1507636015 XELRWYGBBKWBEO-LDLUVENISA-N 452.646 1.939 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)n(C)c1=O 1507653634 PDHWJYLXKHUFBI-FQEVSTJZSA-N 480.569 1.715 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(=O)NCC(F)F)CC1 1507734897 CGSQJRXOGJOZGE-UHFFFAOYSA-N 460.485 1.301 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)N(C)C)CC1 1507803973 IAHHUBXDTRRFRE-RXVVDRJESA-N 475.638 1.388 30 10 JDEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1507827390 MTQBUSCEGMTSIE-UHFFFAOYSA-N 452.559 1.591 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(C)(C)C1 1507845688 NMRUZCYJMZENIG-INIZCTEOSA-N 459.638 1.536 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C1CCCC1)C1CC1 1507993634 SMPHTRDKJVNQHF-LJQANCHMSA-N 452.625 1.640 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)C1CC1 1507994322 ZLCROGDRGOMUSW-WSTZPKSXSA-N 496.678 1.654 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCOC1 1507997262 QDJCLHDNJCKRFC-IERDGZPVSA-N 460.560 1.104 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCc2ccccc21 1508131293 LBMBWPLBPGRSDB-QAPCUYQASA-N 467.617 1.613 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1508138954 BCHPXVBPWRWRPG-NQIIRXRSSA-N 486.598 1.972 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(NC(=O)C(C)C)CC1 1508139526 BUUOUXJXSJFGQM-GOSISDBHSA-N 453.609 1.862 30 10 JDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@H](C(F)(F)F)O1 1512402632 BEQVEEBBNNADFF-SWLSCSKDSA-N 458.466 1.522 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCS2)c1 1539038324 NVLMZAXUNYGQQA-CRAIPNDOSA-N 476.628 1.840 30 10 JDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnnn1CC1CC1 1539177106 YSOLJLNSTCJJBR-KRWDZBQOSA-N 455.567 1.907 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cnc2ccccc21 1539179829 SDLBMGLEFSXTJQ-LJQANCHMSA-N 457.560 1.120 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC1(O)CCOCC1 1539232990 WUTQWMLBVKFKML-UHFFFAOYSA-N 455.946 1.866 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1539416604 QBPGZHRENTXWIT-ROUUACIJSA-N 481.619 1.666 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2OC(F)(F)F)CC1 1539446357 BUKOPWXUFBRQDU-KRWDZBQOSA-N 483.516 1.882 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1540875968 CYAADRJHNJCQFA-NLWGTHIKSA-N 494.662 1.503 30 10 JDEE CCN(CC)CCN(C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)[C@@H]1CCS(=O)(=O)C1 1545876563 DIVBMLRWCDCOQA-RTBURBONSA-N 450.580 1.881 30 10 JDEE CCc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)s1 1546401398 GNUXCSHLKPOBMZ-UHFFFAOYSA-N 465.587 1.489 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1nc(C)no1 1587580688 RBFXKWYQKBCABZ-OAHLLOKOSA-N 457.560 1.978 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCN2CCCS2(=O)=O)c1 1587689652 ONBMGNHMVSGZQG-UHFFFAOYSA-N 481.582 1.375 30 10 JDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCN(C(C)=O)CC1 1587989458 KCMCLLHIZAFBKJ-LJQANCHMSA-N 460.579 1.914 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1588045924 TZLQPZWLOMJYRN-SQGPQFPESA-N 462.547 1.762 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1588069092 HDTVUZKTKWRVOV-SJORKVTESA-N 475.596 1.241 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCN(CC)CC1 1588099176 IWGYBFPSYZNRQU-UHFFFAOYSA-N 468.627 1.449 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccnc1)C(C)C 1588139182 MZISMWHUGVFCOS-SFTDATJTSA-N 470.599 1.519 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCC[C@H]2C)n1 1588724254 WDPCENFTJYVZDE-DNVFCKCGSA-N 490.630 1.214 30 10 JDEE C#CCSCCn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1589125730 PSTZMSJDCHYEEI-OTWHNJEPSA-N 492.646 1.757 30 10 JDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCCOC2)C1 1589405169 PBOGJTQNBREBBM-CRAIPNDOSA-N 490.424 1.527 30 10 JDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1595428291 MALMLMIIAZYWNM-OAQYLSRUSA-N 458.632 1.842 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1595811807 BMNRCWNGRGWHJG-SFHVURJKSA-N 462.576 1.580 30 10 JDEE C#C[C@H]1CC[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c2ccccc2)CC1 1637334888 YHYJRJMLYQOHKU-WXFCCDEZSA-N 452.598 1.688 30 10 JDEE CCOC(=O)N1CCN(S(=O)(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CC1 1661760053 GUSOKPHNYQNXQH-SFHVURJKSA-N 455.968 1.541 30 10 JDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(Br)c(F)cc2F)CC1 1662385922 SWXQODGDUUYEET-UHFFFAOYSA-N 450.305 1.173 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)CC1 1666218852 RQKDIDZCSHKYLH-UHFFFAOYSA-N 455.968 1.343 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(Cl)cccc1OC 1689852139 AYSODAOYYQNXNW-KSSFIOAISA-N 467.979 1.779 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1689999864 KBILRLADGCIPJY-SFHVURJKSA-N 452.946 1.849 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCCO2)n1 1690108446 ZHLRPRLPXWXVJH-HXUWFJFHSA-N 455.563 1.566 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1690252472 FFCODHIHAQYZNG-SJBKTWHCSA-N 460.623 1.929 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1690485589 XMBUQQHVFFEZTC-QFIPXVFZSA-N 499.641 1.771 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690676029 NGGJDJYDIJAAKX-KRWDZBQOSA-N 451.524 1.312 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690715922 XWRIDOBODRTSIW-VQTJNVASSA-N 472.615 1.977 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1690723528 UYLQVUMUUKWWNS-SIKLNZKXSA-N 492.690 1.915 30 10 JDEE COc1cc(F)cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)c1 1697291458 FUPCRXYDJUVOCN-HXUWFJFHSA-N 492.577 1.937 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@H]2OC)CC1=O 1698096095 CENQBHHEVHCOAF-TZIWHRDSSA-N 468.558 1.839 30 10 JDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1705539752 ASEHYUXYFXRSLN-FUDKSRODSA-N 472.634 1.939 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccccc1COCC)[C@H]1CCS(=O)(=O)C1 1705558650 DKSPTLXXJUHROP-FQEVSTJZSA-N 473.599 1.628 30 10 JDEE C#CCN(c1nnc(C)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705561231 OHZHOFLOLZPKJH-YRXWBPOGSA-N 479.603 1.238 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1705565987 LCCLWLQDTVECAH-DJIMGWMZSA-N 497.668 1.376 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1705699828 MBTLJMRCPBOGOW-HQRMLTQVSA-N 480.635 1.461 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(N)=O)cc1 1705716365 IOKBQPWGAMBNAD-SFHVURJKSA-N 477.591 1.552 30 10 JDEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705825874 GEMNQQUDZCELFA-UHFFFAOYSA-N 465.558 1.984 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCN1S(C)(=O)=O 1705885617 YKDAZKQGSMJYPJ-XLIONFOSSA-N 477.587 1.853 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1705894692 HPULRNPODFLHDG-LJQANCHMSA-N 453.547 1.554 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C(C)=O)CC1 1705896087 BKDJFMJFKLFHRH-UHFFFAOYSA-N 453.366 1.740 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705899247 MGHZEEYECITQBR-INIZCTEOSA-N 457.922 1.373 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705913718 VWQXSFOYROZMKY-OALUTQOASA-N 461.588 1.913 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1705932524 VTWTWNYBIUYQDY-IBGZPJMESA-N 458.588 1.684 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1705934444 MVDHDRUXIPWFQC-PZJWPPBQSA-N 474.631 1.796 30 10 JDEE C=CCS(=O)(=O)CCn1c(Nc2ccn(C)n2)nnc1C(=O)NCc1ccc(Cl)cc1 1705939042 QKQSGFCJZDQNHZ-UHFFFAOYSA-N 463.951 1.939 30 10 JDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1710975986 CVUCSGRVXIAONW-FQEVSTJZSA-N 485.614 1.689 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1722292246 IMWLJASFPSBZCA-MSOLQXFVSA-N 477.569 1.628 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1722316102 BFRVSPSQRXWPET-DLBZAZTESA-N 493.552 1.962 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2F)CC1 1722323656 HDCHJSPYMWWJIC-HNNXBMFYSA-N 452.531 1.907 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1722364715 IWNKRMLFFQMCEL-PGRDOPGGSA-N 476.624 1.372 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCCCCC2=O)CC1 1722440353 DMJOQYKBDWKUAE-UHFFFAOYSA-N 483.617 1.273 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccccc1OC 1722523115 AZUDOHYTZNHQGU-IBGZPJMESA-N 465.576 1.711 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@H]2CO)CC1 1722582182 MHMSOBUQTOUJQX-PMACEKPBSA-N 451.637 1.820 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1722685785 MROLPYRYCBFUDI-OXQOHEQNSA-N 496.584 1.958 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1722698138 VFTCOIBWERTCRF-UHFFFAOYSA-N 466.634 1.946 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1722702637 NYZGBRMRPJDVJZ-QGZVFWFLSA-N 456.551 1.337 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC(N)=O)CC1 1722706973 CISBERDPIMKZSE-GOSISDBHSA-N 489.598 1.264 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2)CC1 1722726732 BNRGSUIWWRHSMC-GOSISDBHSA-N 479.628 1.108 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1722730191 KZLFFDGOQFJNPZ-IERDGZPVSA-N 495.627 1.255 30 10 JDEE CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1727103600 FOXKPMHRLNTWQH-DLBZAZTESA-N 453.547 1.700 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1740562828 QRXUWHVUFMVBCO-LJQANCHMSA-N 493.593 1.678 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCSc1nccs1)[C@@H]1CCS(=O)(=O)C1 1740616028 PYFPMEHTBSEKNT-OAHLLOKOSA-N 482.657 1.682 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1740620505 PSILABWEIGKZEN-JTBPQFFMSA-N 482.031 1.921 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1OCCCC)[C@@H]1CCS(=O)(=O)C1 1740622254 BHKJZXCDZCBYLB-MOPGFXCFSA-N 486.598 1.478 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCCCC)[C@H]1CCS(=O)(=O)C1 1740623700 ZKMOIJIDPBLZJB-SFHVURJKSA-N 498.609 1.635 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1740625282 PJLNIOSYGAECFN-UZGSZPBKSA-N 472.611 1.620 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1740626298 WNXFGLAVUUWSLI-JLHGSKIFSA-N 493.655 1.693 30 10 JDEE C#CCN(c1nnc(COCC)n1CCNC(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1740627974 MBOSADXVXIAGRX-LJQANCHMSA-N 459.572 1.180 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnc(CC)s1 1740629971 CIDRWBBXANOAFT-UHFFFAOYSA-N 469.596 1.730 30 10 JDEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740687571 BKDJESHWCNEEOC-FQEVSTJZSA-N 468.963 1.146 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1740715848 GOBJETDXDPFLBO-SFHVURJKSA-N 491.065 1.867 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740954443 MRGTTWZXPPIDGC-INIZCTEOSA-N 458.544 1.512 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1740985160 CTGIRTSSUFSDHB-KRWDZBQOSA-N 498.650 1.758 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1740986782 HDBAHLXTYLEAJE-INIZCTEOSA-N 463.608 1.826 30 10 JDEE CC(C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1741258384 AQHINAVJWFFROW-OAHLLOKOSA-N 462.551 1.288 30 10 JDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccc(S(C)(=O)=O)cc2)CCOC1 1746733096 FAEFWAFDHQRUEC-PGRDOPGGSA-N 475.571 1.305 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)C2CC2)c1 1748692386 GKUUIHTYKLYYCL-UYAOXDASSA-N 471.583 1.661 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1748801543 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C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1286819760 VCKWBYPNPSBHLI-FQEVSTJZSA-N 488.614 1.303 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1286820948 WIJBPMZRWUTUCB-RLLQIKCJSA-N 494.639 1.747 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(F)(F)F 1288858137 CZVCMNHXKAQBAU-LBPRGKRZSA-N 458.470 1.044 30 10 JDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1295164910 HXMHTRCUXGHBPE-FQEVSTJZSA-N 472.615 1.941 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1300492284 MMPOXYWFSQFJTE-HUUCEWRRSA-N 456.528 1.256 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCO[C@@H]1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300502048 PXKJZGQTTMJQEC-HSALFYBXSA-N 477.631 1.623 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)N1CCCCC1 1300631260 OSKOAKZSDQJTCD-OALUTQOASA-N 452.625 1.335 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(C(N)=O)CCCC2)CC1 1300682738 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C#CCN(c1nnc(CN2CCCC2=O)n1CCCCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358966402 OMUGOTMHXIEFJN-RTWAWAEBSA-N 490.674 1.539 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccc(C)cc1 1359010814 ZXHXMWWRYPOVGB-ICSRJNTNSA-N 461.588 1.846 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2COCCO2)CC1 1359035577 XZQWDLOTQYKFMF-HXUWFJFHSA-N 474.606 1.563 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)NCC(F)F)CC1 1359038811 LVSXHUVOVHBFFN-UHFFFAOYSA-N 452.893 1.647 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ncccc2N(C)C)CC1 1359044871 QMRPDAGFBUTKJP-NRFANRHFSA-N 451.575 1.995 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2cccs2)CC1 1359045706 QQRNZRCWDZFFGL-QGZVFWFLSA-N 456.572 1.239 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1359203476 PNOWXZIVOHFSIA-WOJBJXKFSA-N 450.653 1.753 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1359287453 FDGUCNQDPCUVFC-GOSISDBHSA-N 477.547 1.032 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@]2(CCc3ccccc32)C1 1359293216 KIGZYCFXACVSCW-UUOWRZLLSA-N 455.559 1.983 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359305703 KRDACHAPHVFHSO-MHECFPHRSA-N 492.621 1.972 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](NC(=O)CC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359306020 SZPWOQHEFRANNC-KURKYZTESA-N 489.621 1.846 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359329950 AHRYPMGSQPCJGV-UHFFFAOYSA-N 474.587 1.016 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cnn(C)c2)CC1 1359337128 KIVXEUXNKNZKEX-OAHLLOKOSA-N 453.638 1.925 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCNC(=O)c1ccccc1F 1360677494 DGKUFZKXKQHYEB-OAHLLOKOSA-N 477.566 1.587 30 10 JDEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCCO)c1 1465852411 FIJWLDADLMIVLC-UHFFFAOYSA-N 451.932 1.560 30 10 JDEE CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1 1475101093 AMMPWRMHVSODOR-UHFFFAOYSA-N 450.542 1.530 30 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GNCMHKGXDJSESJ-LJQANCHMSA-N 472.546 1.888 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1507639568 LBBVTJLKMKMSIM-AWEZNQCLSA-N 468.004 1.790 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1507653992 ULASWVSHOXOLKO-APWZRJJASA-N 461.538 1.834 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCN1CCCO 1507667283 LNPVFVQFWYSVLO-HXUWFJFHSA-N 473.581 1.502 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCCCO2 1507691063 ZXEGVGLXZIKSTD-HXUWFJFHSA-N 475.571 1.280 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C2CC2)N(C)C)CC1 1507735695 FOZUDCQGDMSMLA-PXDATVDWSA-N 472.634 1.625 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccncc2)CC1 1507740571 NTHYVGWPKCLQBX-UHFFFAOYSA-N 477.594 1.873 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC 1507820787 NAZAHQZCBWKALM-INIZCTEOSA-N 472.612 1.538 30 10 JDEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1507845722 NZLDRVIFQBRNLT-YLJYHZDGSA-N 477.587 1.901 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(COC)cc2)CC1 1507883806 ABDHMBOOGOPSLA-FQEVSTJZSA-N 461.588 1.962 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1508080415 OCGWFWAAXIBCOH-UHFFFAOYSA-N 453.576 1.773 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ncnn2C(C)(C)C)C1 1508116792 SCKRIWBQRYUHRR-CABCVRRESA-N 452.585 1.064 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1Cc2ccccc2C1 1508144091 AOOZGETWVJERGR-GOSISDBHSA-N 464.613 1.385 30 10 JDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccc(OCCO)c(OC)c1 1513915828 BGWRZINIYMXCGW-UHFFFAOYSA-N 463.542 1.862 30 10 JDEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)C)CC1 1515483279 GFJKMKKCJHVSFI-UHFFFAOYSA-N 494.644 1.969 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCNS(=O)(=O)c1ccccc1 1538965548 PQWBEEICBHWUTI-INIZCTEOSA-N 453.528 1.362 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCN1CCCO 1539001808 JYIIIJHISKPAFN-ROUUACIJSA-N 459.620 1.543 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C2CCCC2)CC1 1539072762 VWESVZWLWSXPHY-OAQYLSRUSA-N 478.663 1.869 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1539089885 UTVZDRNVKRGKFE-UHFFFAOYSA-N 478.601 1.910 30 10 JDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1539194063 QWTGCWWXTRVNJV-DLBZAZTESA-N 476.628 1.543 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCCCN1CCC[C@H]1CO)[C@H]1CCS(=O)(=O)C1 1539211786 OZWYXWXMTLJZFM-PMACEKPBSA-N 489.617 1.948 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1539230359 MISPQELQHKZMSE-LEWJYISDSA-N 471.627 1.868 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CCC1 1539266098 MBXRHMKXKHFCMK-NRFANRHFSA-N 467.595 1.806 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@H]2CCN(S(C)(=O)=O)C2)n1 1539424446 PVDUJVWYMXMDAY-SFHVURJKSA-N 477.635 1.340 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1539489575 UWTMLOFKKQUYPH-VWLOTQADSA-N 466.586 1.198 30 10 JDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCC2=O)C1)c1ccccc1 1539764948 BNHJKEHMDGTLQX-HKUYNNGSSA-N 458.588 1.803 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1539847106 AAIAYISKQLVZBK-LEWJYISDSA-N 495.694 1.041 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccc(C(F)F)n1)C1CC1 1540109542 RGWYTDXJLNDGTB-HNNXBMFYSA-N 469.518 1.542 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCS(C)(=O)=O 1540133069 DUEWBMARYWQOKJ-SFHVURJKSA-N 452.602 1.808 30 10 JDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1540863950 KIESQXUUKMZVKW-OAQYLSRUSA-N 481.601 1.696 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1540901182 VRFNIGMFJJRZFR-MRXNPFEDSA-N 477.612 1.661 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1Cc1ccccc1 1540905175 QUSUUSWUTCZMJA-VQTJNVASSA-N 478.640 1.993 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(=O)C(C)C)CC1 1540907829 KBYQLHYXVGXIIV-OALUTQOASA-N 483.635 1.298 30 10 JDEE CN(C)CCCN(C(=O)COc1ccc(C#N)c(Br)c1)[C@H]1CCS(=O)(=O)C1 1545269353 FBXWJCFEXUWCDR-HNNXBMFYSA-N 458.378 1.667 30 10 JDEE CCOC(=O)C1(S(C)(=O)=O)CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 1559817912 AFLIUFAGPHLBDF-CYBMUJFWSA-N 453.586 1.878 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1588045547 MMZSZOPIJCAEGL-FUHWJXTLSA-N 460.556 1.626 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(=O)NCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588074575 OVQKUXUUGYGUPZ-WOJBJXKFSA-N 471.583 1.115 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1588811840 NCZMLCOUVHHIRY-OALUTQOASA-N 494.662 1.485 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(C(=O)NCC)CCC2)CC1 1588930218 QHJOSAGRXGCMDK-LJQANCHMSA-N 456.591 1.444 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2F)C1 1593636610 OEAGYAMMDVJIBG-RBUKOAKNSA-N 465.551 1.904 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(C)no2)CC1 1593746333 BGEJAVQFCQCRKY-SFHVURJKSA-N 464.592 1.392 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1595550202 ABKLXNZHHKTZAV-HZPDHXFCSA-N 478.550 1.064 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1595562221 QLBPUJOXCOEOIU-QGZVFWFLSA-N 452.519 1.650 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCO[C@H](C)C1 1595765895 JIHALAYYIWNDKU-QGZVFWFLSA-N 497.643 1.411 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CC1 1610129874 GIELIKOALSGZON-UHFFFAOYSA-N 467.574 1.005 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSCCS1 1611307472 CYQDLPWPIYATPU-KFWWJZLASA-N 460.651 1.198 30 10 JDEE Cc1nccn1CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1612443556 GHGPACUDRKIJBL-LAUBAEHRSA-N 498.613 1.933 30 10 JDEE CC[C@@H](C)[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1613098553 DSEGORJPKOMQAS-MWTRTKDXSA-N 471.610 1.454 30 10 JDEE CS(=O)(=O)N1CC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)C1 1620168397 FBBDHUXLQNKSJS-CRAIPNDOSA-N 464.523 1.006 30 10 JDEE C#CCC1(NCC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CCOCC1 1620593490 PNOTXGRAYOANCZ-UHFFFAOYSA-N 457.955 1.474 30 10 JDEE C=CCn1c(S)nnc1-c1sc(NC(=O)C2CCN(S(=O)(=O)NC)CC2)nc1C 1628357097 ULSXYPKVLCAPFX-UHFFFAOYSA-N 457.607 1.299 30 10 JDEE C=CCn1c(O)nnc1S[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1643787537 SQGKAMMDBGZITQ-HNNXBMFYSA-N 451.574 1.492 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2(CN3CCN(c4ccccc4)CC3)CC2)c1 1645455195 JKDVGSPCTIQBFF-UHFFFAOYSA-N 452.580 1.683 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC(=O)NCCN2CCCCCC2)cc1 1673397808 ANBDSPYGVYGFJT-UHFFFAOYSA-N 451.593 1.607 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(OCCCC)c(OC)c2)CC1 1682265860 GSESSNFXLDECBL-QGZVFWFLSA-N 452.577 1.730 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@H]2CCC[C@H]2N2CCCS2(=O)=O)c1 1689868431 GPPJOOLPODNHDS-TZIWHRDSSA-N 470.599 1.847 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccnc(OC2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 1689995872 BKVSFTIDESCUFI-IBGZPJMESA-N 489.598 1.442 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCC(O)CC1 1690047111 LQTVQMLIIMZPRI-UHFFFAOYSA-N 476.629 1.762 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2O[C@H](C)C1 1690175528 ZAUCSYCEOYWKJV-YLJYHZDGSA-N 491.639 1.765 30 10 JDEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1690183230 QJMINIYVZASALP-UHFFFAOYSA-N 463.629 1.922 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCN(CCC)C2)CC1 1690375861 VUHOXEZRZFXLQL-RTBURBONSA-N 452.625 1.499 30 10 JDEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1690486850 VZLWRGATIXCRKN-UHFFFAOYSA-N 482.585 1.351 30 10 JDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1690640962 WXZSNPWSRFSLRN-MRXNPFEDSA-N 471.587 1.486 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690669076 SVDGMUOLCJLTHA-GOSISDBHSA-N 455.544 1.056 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1690675296 VMPNTDWUHLBFCI-UHFFFAOYSA-N 499.641 1.943 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690675823 GQDQGMTUSZQZHW-UHFFFAOYSA-N 490.630 1.636 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1690675960 LERMDNJMZJPAAD-AZUAARDMSA-N 472.565 1.845 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1690724467 PQCZVOUZESQUOC-KRWDZBQOSA-N 492.602 1.468 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CC(=O)N(CCOC)C1 1705478668 FKRUFYJJYZLEFT-AEFFLSMTSA-N 487.630 1.499 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(OC)cc2C1 1705516545 DJKZGYSAFQPVSJ-OAQYLSRUSA-N 473.599 1.986 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1705568305 KNAHSRNDJOXFDD-KRWDZBQOSA-N 491.639 1.713 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@@H](S(=O)(=O)NCC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705708008 WDHNHNRBAHMKBM-ISHFTEKXSA-N 497.662 1.818 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1705725436 AGUROOGTPABZJC-IAGOWNOFSA-N 484.623 1.633 30 10 JDEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1705727175 KCJNOSJVQPVVGJ-QFIPXVFZSA-N 456.639 1.947 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)Cc1ccc(C#N)cc1 1705891075 XMVCQAGDTOTUCM-LJQANCHMSA-N 460.560 1.322 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1705905473 WQXFCKDOAMDZBA-UHFFFAOYSA-N 463.517 1.668 30 10 JDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705912804 VCHZYBFSGGVXTH-UHFFFAOYSA-N 464.574 1.502 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705936543 SRCZONQBKQCQIZ-KRWDZBQOSA-N 464.592 1.303 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1705938502 ALDFVXXYJWUGQD-LJQANCHMSA-N 476.559 1.965 30 10 JDEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1 1705946394 GUZNUGHKAAOXEC-JKSUJKDBSA-N 466.608 1.817 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)C1 1706155957 AKZDSPBQRURKQL-KURKYZTESA-N 494.618 1.556 30 10 JDEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)CC1 1709885126 BJEMJMXAZXSLGL-UHFFFAOYSA-N 497.629 1.876 30 10 JDEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1712738392 DZADBSCXLOQVCT-QGZVFWFLSA-N 469.615 1.881 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCC(=O)N2CCOCC2)c1 1722305526 RLYMDJYWRPYYGJ-UHFFFAOYSA-N 475.553 1.589 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2ncccc2N(C)C)c1 1722310687 ZCTBKQHFPBWXAM-LJQANCHMSA-N 472.553 1.795 30 10 JDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722320328 WICJQFSIWMFHTM-IBGZPJMESA-N 457.604 1.879 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1c(CC)nn(C)c1OC)[C@H]1CCS(=O)(=O)C1 1722367687 XDXIOUQTCHICAG-SFHVURJKSA-N 483.598 1.243 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCC(F)(F)F 1722389905 MTYABPWTDUUZHQ-UHFFFAOYSA-N 496.515 1.337 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN(C)c2ccccc2F)CC1 1722448824 ZCEASIDWGNIVJD-FQEVSTJZSA-N 481.576 1.861 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@]2(O)CCO[C@H]2C)CC1 1722448990 KDXGIXUEXLKWMI-UQBPGWFLSA-N 451.571 1.683 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722531639 VKOGOOBRUVQPQW-KRWDZBQOSA-N 497.643 1.411 30 10 JDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1722532739 VDRKGFPZNJMEMP-UHFFFAOYSA-N 487.586 1.658 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1722630301 YCDQLMVHFMBBER-IBGZPJMESA-N 475.619 1.506 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1722630303 YCDQLMVHFMBBER-LJQANCHMSA-N 475.619 1.506 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1722691842 AUCQQUAVAILJEA-UHFFFAOYSA-N 486.552 1.648 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1722725397 KUEUWDZSJJVZKH-QUCCMNQESA-N 475.615 1.711 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)(C)C)C1 1722738296 FQGCVBOWLYZGGA-SJORKVTESA-N 473.665 1.782 30 10 JDEE Cc1cnn(CCn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)c1 1724969481 BVBALOCCJLCFKG-UHFFFAOYSA-N 454.560 1.494 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CC2(C(N)=O)CCOCC2)c1 1740561740 BHDLYEHAVYLFJP-UHFFFAOYSA-N 487.564 1.987 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCCN2CCOCC2)CC1 1740592589 ZZIWXPSYKMABBW-OAQYLSRUSA-N 463.648 1.922 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740615514 GBKQXEZGWKOIBE-IRXDYDNUSA-N 451.593 1.202 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1740620954 IMFKAUDPTFYWPX-KRWDZBQOSA-N 473.599 1.743 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1740624533 HWSWAVMBCOAMJQ-LJQANCHMSA-N 472.546 1.959 30 10 JDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N1CCOCC1 1740663749 RXNPBYXATKSNRD-UHFFFAOYSA-N 473.603 1.255 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCn2cc(Br)cn2)CC1 1740692584 MHBOQCODJBTOQW-NRFANRHFSA-N 492.422 1.735 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2nccs2)CC1 1740705589 JPKHGLGHOMAIDG-WBVHZDCISA-N 476.628 1.406 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCCc2cnn(C)n2)CC1 1740706758 BOBAKBSBWYZNTJ-UHFFFAOYSA-N 464.549 1.735 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1740719886 MQRBXORSLFIXRR-UHFFFAOYSA-N 472.537 1.662 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCO[C@@H]1C 1740916507 PJFPZXALRFTBDA-HCLVMJGWSA-N 471.583 1.784 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(NC(C)=O)c2)C1 1740971943 AQJJXNKTRBQNTH-BEFAXECRSA-N 462.576 1.676 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1740992634 SGZIVYSVUQSLDV-OALUTQOASA-N 465.620 1.516 30 10 JDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1745953371 HIFXFJGZZRGSSC-FQEVSTJZSA-N 472.615 1.941 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1746479593 DQMKPHSEJZSVRA-UHFFFAOYSA-N 453.547 1.274 30 10 JDEE CCO[C@]1(c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2CC(F)(F)F)CCOC1 1746727910 GJNVEXXKUXOJPL-LJQANCHMSA-N 468.484 1.733 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCNS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1748809286 RHKCZKBUIFHEFE-LJQANCHMSA-N 479.628 1.074 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCN(C)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1748815090 NGNZAFZBVXGCER-VQTJNVASSA-N 488.589 1.127 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1748821871 VVHQQRYLZUJHKS-IRXDYDNUSA-N 477.612 1.323 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(=O)NC(C)C)CC1 1749005992 DNZJOJSYOQHPDI-UHFFFAOYSA-N 468.558 1.453 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(F)(F)F)CC1 1749015086 RNPKFKDOQUVBMD-HNNXBMFYSA-N 461.510 1.489 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1749215595 BYDGUNZPYWGQKN-KRWDZBQOSA-N 476.603 1.455 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1749600086 PYMNWKAEPHVXMG-IBGZPJMESA-N 493.605 1.843 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1749718527 WYLKWMTZZBNLCL-LJQANCHMSA-N 488.614 1.480 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749725631 SZOANINYFITKST-MRXNPFEDSA-N 485.513 1.099 30 10 JDEE CC(C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1750570217 BRBGOYFORICFTM-SFHVURJKSA-N 468.537 1.339 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCN(C)C(C)C)c1 1760127612 GJHTWSPGFBFYCI-UHFFFAOYSA-N 451.575 1.797 30 10 JDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1760180209 AITQRAUCGKGCFD-IEBWSBKVSA-N 490.582 1.448 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CC(=O)NCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1760186951 SHDBRHWFBLMSQX-FQEVSTJZSA-N 457.600 1.462 30 10 JDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1760187530 WPUQZZJVZPSXHA-GJYPPUQNSA-N 464.519 1.402 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1760188486 AQFAXAZIZJEHDH-DENIHFKCSA-N 474.656 1.328 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(CS(C)(=O)=O)CC1 1760227036 SEWDIPUNHPJFKW-UHFFFAOYSA-N 450.586 1.633 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1760258999 WLPVKQMAYFYDAX-LJQANCHMSA-N 487.626 1.932 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCN2CCOCC2(C)C)CC1 1760268741 XCSPJEKPSDINMY-UHFFFAOYSA-N 451.575 1.417 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1760270240 VFTPLKLHCJOTAQ-SVFBPWRDSA-N 490.674 1.266 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1760273174 KKRKEKIWCPUTLO-UHFFFAOYSA-N 461.613 1.920 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760486262 INDXLJDJRPEUTP-KXBFYZLASA-N 451.574 1.033 30 10 JDEE C=CCN(CC=C)c1nnc(C(=O)NC(C)C)n1CC(=O)N1CCN(c2ccccc2)CC1 1760489894 MBSBJVJMKIKRGB-UHFFFAOYSA-N 451.575 1.944 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1760518707 DHCDKKRQEOSAQQ-FQEVSTJZSA-N 472.615 1.814 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760526419 NNHMCMLANQCQBL-SFHVURJKSA-N 461.588 1.790 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1772564668 PPYYERDGSAQWIX-GFCCVEGCSA-N 497.931 1.687 30 10 JDEE CN1CCN(c2ccc(NC(=O)[C@H]3CCN(S(=O)(=O)c4ccccc4C#N)C3)cc2)CC1 1858421835 FZXVACPIWNBMNV-IBGZPJMESA-N 453.568 1.959 30 10 JDEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1861599270 LDDRPNYTXVFGRD-XLIONFOSSA-N 465.506 1.561 30 10 JDEE C#CCOc1cn(CCCN2CCOCC2)c(CN2CCN(c3ccccn3)CC2)cc1=O 1870560283 OWBYZVCGBRBOKO-UHFFFAOYSA-N 451.571 1.300 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cnc4scc(C)n4c3=O)CC2)CC1 1889459128 OLEJNSXAZOIQHK-UHFFFAOYSA-N 457.600 1.327 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 1963727601 MFRFANNWVCNAOX-UXHICEINSA-N 476.599 1.647 30 10 JDEE C=C[C@@H](NC(=O)c1cc(I)cc(I)c1O)C(=O)O 2063021437 XSYWGPODANWWNZ-MRVPVSSYSA-N 473.004 1.970 30 10 JDEE CO[C@@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255802757 DFYIFRKIKGRJOC-ZIAGYGMSSA-N 453.370 1.806 30 10 JDEE CC(C)(C)OC(=O)N1CC(C[C@H](F)C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256624798 PBXSTZRGFVTTRN-LBPRGKRZSA-N 456.349 1.793 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CC[C@H]1CO 2267157681 ZXBXIBROYZNOIZ-DZGCQCFKSA-N 467.397 1.790 30 10 JDEE C[C@@H](C[S@](C)(=O)=NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267279637 KYKQKDBEENWZBK-PVDMYPHGSA-N 468.385 1.927 30 10 JDEE CC(C)(C)OC(=O)NCCCN(CCO)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267373039 XWHHLSLBDSZEFX-UHFFFAOYSA-N 490.453 1.945 30 10 JDEE CC(C)(C)OC(=O)NCCn1cnc(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)c1 2268649215 BJAFDZCBUHYTDX-UHFFFAOYSA-N 464.357 1.233 30 10 JDEE C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268649820 LCPAYWLTRRFWEN-YDHLFZDLSA-N 467.397 1.990 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCCC23CN(C(=O)OC(C)(C)C)C3)n1 2281954985 FIBKXILAPYMOLM-UHFFFAOYSA-N 461.372 1.730 30 10 JDEE Cc1nn(C)c(C(=O)N2CC[C@@H](C)[C@H](NC(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2281976781 GNCVHBMLWGNOGJ-DGCLKSJQSA-N 458.290 1.557 30 10 JDEE Cn1cc(C(=O)N=[S@]2(=O)CC[C@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281980987 LTUWHOWLQREJFE-GSLRCMBYSA-N 482.412 1.872 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282337716 JEVBIPRESUCSTA-IAGOWNOFSA-N 482.408 1.634 30 10 JDEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282553419 QWWXUGKCAJPJNF-HNNXBMFYSA-N 459.356 1.613 30 10 JDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C)C[C@H]1CNC(=O)C(F)(F)F 2282577308 CRSOVYYPBKFVFR-CYBMUJFWSA-N 475.342 1.790 30 10 JDEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@H]2OCC[C@@H]21 2282580350 RYUHKDAGSLYYNP-CWRNSKLLSA-N 462.356 1.606 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 2282839603 GOGYATVATOPGFL-KGLIPLIRSA-N 485.416 1.086 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2282851678 FRHRCCKDJIFSMK-AWEZNQCLSA-N 484.428 1.643 30 10 JDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCO1 2283060419 MEPVWLFZAKPXHS-GJZGRUSLSA-N 462.356 1.530 30 10 JDEE C[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC2(CN(C(=O)OC(C)(C)C)C2)O1 2288572358 CYPMNMDQLYJUAL-AWEZNQCLSA-N 462.356 1.559 30 10 JDEE CCn1c(N2C[C@H](C)O[C@H](C)C2)c(C=C2SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 2314461415 KJYRCPYFJMXPRP-TXEJJXNPSA-N 476.580 1.948 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCOC[C@H](NC(=O)OC(C)(C)C)C1 2337189800 GIMYOPBAPBYGHN-CQSZACIVSA-N 450.345 1.085 30 10 JDEE COc1cccc(C/N=C(\Nc2cccc(C(=O)O)c2)N2CCN(CC(=O)N3CCOCC3)CC2)c1 46022080 LHYNZTZCYIVGBV-UHFFFAOYSA-N 495.580 1.838 30 10 JDEE C=CCN1C(=O)N[C@H](c2ccccc2C(F)(F)F)C2=C1CN([C@H](C)C(=O)NN1CCOCC1)C2=O 96279630 YOJDTQAUAHPGQF-AUUYWEPGSA-N 493.486 1.806 30 10 JDEE C#CCN(C(=O)CSCc1nc(O)c2c3c(sc2n1)CCC3)[C@H]1CCS(=O)(=O)C1 918754951 MLWCKYFZUXKSFW-LBPRGKRZSA-N 451.595 1.768 30 10 JDEE CCSc1nnc(NC(=O)CSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)s1 1083972561 WUVKCCAXXNIARX-UHFFFAOYSA-N 467.610 1.910 30 10 JDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 1142179095 GPDIMHJYIIWTNE-YWZLYKJASA-N 456.524 1.659 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N2CCSCC2)CCCC1 1286296027 LWDQVHWEHBQGKK-OALUTQOASA-N 496.703 1.431 30 10 JDEE C#CCCCn1c(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)nnc1[C@]1(OCC)CCOC1 1286359929 NIUYRZRHHONSRI-DHLKQENFSA-N 474.650 1.575 30 10 JDEE C#CCCCn1c(N2CCC[C@H](CNS(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286361039 YPLANOWCOKVSEM-WIYYLYMNSA-N 453.609 1.498 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](C)N1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1286390924 FTBBRBKCRLZTON-CTNGQTDRSA-N 490.699 1.583 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1286392762 NQMUPFHZXYGXPE-MJGOQNOKSA-N 480.537 1.951 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(F)cccc1F 1286408338 CCGQOJBHMSFQHB-LJQANCHMSA-N 463.510 1.205 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Cc1ccc(OC)cc1 1286445848 BZTIEXXCJGTNGH-NQIIRXRSSA-N 475.615 1.958 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1cccs1)N1CCOCC1 1286459546 QODVHDFMVODTQT-IBGZPJMESA-N 455.588 1.900 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C)C1=O 1286468125 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C#CCN(c1nnc(CN2CCCC2=O)n1CCO[C@@H]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1300502049 PXKJZGQTTMJQEC-SLFFLAALSA-N 477.631 1.623 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCn2ccnc2C1 1300510885 APCKCHGTQVGYEX-LJQANCHMSA-N 477.594 1.727 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCCCC1 1300630843 HKPVTBPMLWUEPK-GOSISDBHSA-N 452.625 1.335 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(=O)NCC(F)(F)F)CC1 1300682607 PHCWXSXWXPHUDD-UHFFFAOYSA-N 497.909 1.295 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCNC(=O)c2cccc(OC)c2)CC1 1300712378 QNQYEBZHZOGUIN-UHFFFAOYSA-N 452.559 1.806 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCS(=O)(=O)CC2CC2)CC1 1300715594 AOXJLBALYKBAJR-UHFFFAOYSA-N 485.610 1.744 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[S@](=O)CC)CC1 1300716364 LKRMTNRWTJILTG-SSEXGKCCSA-N 495.447 1.781 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCCCC2=O)CC1 1301125539 PACBXMJRFIJCFT-IBGZPJMESA-N 480.635 1.416 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)CN1CCOCC1 1303754522 IBTWVJLYPFAUTE-MOPGFXCFSA-N 489.646 1.902 30 10 JDEE CCC[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1306545593 CSGVEJOETASCHD-HSZRJFAPSA-N 469.594 1.192 30 10 JDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCc3ccc(S(=O)(=O)N4CCCC4)cc32)CC1 1307533100 BOGYJHKEEBYZKB-JOCHJYFZSA-N 459.616 1.526 30 10 JDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(COC)CCOCC2)CC1=O 1316126022 CBCIWEBIFXTPPA-UHFFFAOYSA-N 468.558 1.555 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1358959787 PQSAIOMACYXLIK-JPYJTQIMSA-N 490.582 1.395 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1358960270 ANVJPVIUVZJQCM-GOSISDBHSA-N 487.607 1.546 30 10 JDEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1CCS(=O)(=O)N1CCSCC1 1358983127 WTJXQMDSUOSDMT-UHFFFAOYSA-N 494.042 1.962 30 10 JDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC1(N2CCCC2)CCOCC1 1359027221 ZXORDOZCOMPBJG-UHFFFAOYSA-N 455.607 1.871 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1359039203 ZMDFNGSIPPYGMR-SIKLNZKXSA-N 455.559 1.672 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCC(F)F 1359065161 JPXSHJVPQXQIMV-OAQYLSRUSA-N 479.557 1.920 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1359092499 BMCSNNRZMOKRHI-HQRMLTQVSA-N 473.599 1.997 30 10 JDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1359207230 DBIRKLZPGGAZHO-OAQYLSRUSA-N 459.639 1.712 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC(C)(C)C1 1359227684 IIDQGHGPKZRUIH-QGZVFWFLSA-N 471.624 1.598 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1359294166 MJIBFSPYAYWIND-UHFFFAOYSA-N 456.547 1.569 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1359299216 YVUOUNCAIYREQG-HOTGVXAUSA-N 461.567 1.225 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(N)=O)C1 1359299705 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C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(OC)CCOC1 1507711157 PBENRKXDWISEBF-WZONZLPQSA-N 479.578 1.478 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1507722622 CBDQSMOHYZNFKI-IBGZPJMESA-N 482.585 1.212 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cnn(CC)c2)CC1 1507735730 GAFHMGPDFSRUOV-XMMPIXPASA-N 469.590 1.549 30 10 JDEE C=C(Br)Cn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1507792222 XQIBXVWRMHVZKC-VQIMIIECSA-N 456.385 1.748 30 10 JDEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507845222 BTOQXNXAVGPPKZ-HXUWFJFHSA-N 477.587 1.855 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1508090464 IKJLTYAKBVQISJ-HKUYNNGSSA-N 488.614 1.138 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1508130842 IYGUWIFNYGUFEU-OFNKIYASSA-N 476.599 1.403 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(c3nc(CC)ns3)CC2)nnc1C(C)(C)C 1508147488 ABYCPIASCKXHES-UHFFFAOYSA-N 453.638 1.917 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CCOC2)CC1 1508161361 LEESSUFHDGUSGS-RBUKOAKNSA-N 485.676 1.783 30 10 JDEE CC(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H](C)C1 1508257510 XQIVVDRYSADPMD-KJXVGZKYSA-N 481.532 1.591 30 10 JDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCS(=O)(=O)N3CCSCC3)CC2=O)cc1Cl 1530383874 FLNBASALNVHXCC-AWEZNQCLSA-N 456.977 1.059 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCS2)c1 1539038329 NVLMZAXUNYGQQA-MAUKXSAKSA-N 476.628 1.840 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2noc(C)n2)CC1 1539052599 GWGDOISIWAOACO-MRXNPFEDSA-N 464.596 1.096 30 10 JDEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539076969 ZBWRSPFGVIFLOF-UHFFFAOYSA-N 466.586 1.854 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)ccc(F)c2C1 1539125007 JRWIWSDEJDZBIV-IBGZPJMESA-N 465.526 1.865 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCNC(=O)c2ccc(C)cc2)CC1 1539431547 VIRUVPDEKPQGQS-RUZDIDTESA-N 466.586 1.424 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1539437507 CHFVXTMHTOYFFG-ZDUSSCGKSA-N 492.403 1.513 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1539615886 MNBFWELROROHLV-QTMHVTGLSA-N 453.609 1.732 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1540854842 HRJSBGUBUYJTNS-INIZCTEOSA-N 467.617 1.642 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1540858469 XXSRAWSICNQLQH-ROUUACIJSA-N 489.602 1.356 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1540864149 QOJJKFDXPQFZAS-INIZCTEOSA-N 464.530 1.914 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@H](C2CCC2)C1 1540904440 NEJJKNUMXBRUDF-QZTJIDSGSA-N 472.633 1.034 30 10 JDEE CC(C)COc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1541578072 IDXPZAVGVUICRN-RBUKOAKNSA-N 459.572 1.992 30 10 JDEE CCN1CCN([C@H]2CCN(c3nnc(COc4ccc(C#N)cc4)n3C[C@@H](C)OC)C2)CC1 1547725149 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C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1589069246 JGCZSPVUKSZHLS-IAGOWNOFSA-N 453.634 1.240 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1589295406 GFACORYSBZPGMG-NEPJUHHUSA-N 489.362 1.870 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1594733156 OBEYNIMIPQPOSH-ROUUACIJSA-N 450.609 1.729 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)CC[C@@H]3C2)cc1 1595608492 SMDUXDISSMJTRB-FUHWJXTLSA-N 474.587 1.312 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)cc1 1595613993 LWSBKZINNKMNSU-OALUTQOASA-N 459.572 1.856 30 10 JDEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@H](CO)CN2CCOCC2)c1 1639274113 HXHFRYSLNWXKIW-IBGZPJMESA-N 454.552 1.712 30 10 JDEE C#CC[C@@H]1CCCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)C1 1643532453 JZKPXWNHNROJFW-GDBMZVCRSA-N 459.490 1.880 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(OC)cc1 1689853863 ZOJGETKRWNVMLL-APWZRJJASA-N 463.560 1.157 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1689978558 YPOIJQYEKLDYJI-LJQANCHMSA-N 471.583 1.588 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)C1CCCCC1 1690206528 SZELSSXNWFEZMH-WMZHIEFXSA-N 492.646 1.394 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1690724409 OHTWXQAMHNQOJS-HRAATJIYSA-N 498.602 1.018 30 10 JDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1690736452 FJHQSRYQXQZBHI-QFIPXVFZSA-N 490.655 1.974 30 10 JDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690750068 YWHRSDNHGKFLNW-CQSZACIVSA-N 455.631 1.812 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705510156 OEQOFZPVPKVOIV-QGZVFWFLSA-N 476.607 1.125 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705564316 BQXGSGZDRMOKIJ-BRWVUGGUSA-N 467.592 1.322 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1cc(C)ccc1OC)[C@H]1CCS(=O)(=O)C1 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C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCCOC1 1705900550 HWURHKJWPYTFRV-MRXNPFEDSA-N 451.531 1.357 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCC[C@H]1C 1706886628 BYKMHZSKGXMESS-OWSLCNJRSA-N 487.634 1.701 30 10 JDEE C[C@@](O)(Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1)c1ccco1 1706897852 HFSGEKPIBWLRRI-IIBYNOLFSA-N 457.512 1.578 30 10 JDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCC(=O)N1CCOCC1 1710731750 FLTXLEUZWCRDBA-UHFFFAOYSA-N 471.537 1.401 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1722308853 RBZPTGBLIYRRLD-IBGZPJMESA-N 469.615 1.886 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CCOCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1722367735 NVPDKQNEHVOHJG-RBUKOAKNSA-N 498.671 1.404 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722492606 DDEAIEAHTLQELS-AEFFLSMTSA-N 487.605 1.698 30 10 JDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1722518350 ATLDPGXQTGFIFT-UHFFFAOYSA-N 450.547 1.963 30 10 JDEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1722579090 JDYBKMBMFWJQCQ-UHFFFAOYSA-N 479.628 1.612 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1722697245 YAAORKZHPOMWAQ-UHFFFAOYSA-N 460.604 1.806 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](COC)C1 1722728075 NOWDKUGWXJZHLN-IAGOWNOFSA-N 460.622 1.034 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1740567513 SJJKELQMVUWQGN-MOPGFXCFSA-N 463.608 1.411 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(C(C)(C)C)no1)[C@H]1CCS(=O)(=O)C1 1740622895 KJNKCWQRCZKXCF-HOCLYGCPSA-N 460.560 1.190 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1740623010 MRXIDQSJYARFIA-OAHLLOKOSA-N 470.555 1.382 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CC(=O)N(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740624850 KVKSBFXLUFTSAJ-OAQYLSRUSA-N 484.626 1.682 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1740628643 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N#Cc1ccccc1N1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)NCC(F)(F)F)CC1 1505319642 FUHQFBNCQXLKAH-UHFFFAOYSA-N 490.490 1.277 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507518981 OSGPBULDFYYTEA-OZIGNCPNSA-N 465.620 1.592 30 10 JDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCNS(=O)(=O)c1ccccc1 1507619255 ZFKNRUDZTNLNHK-UHFFFAOYSA-N 458.569 1.318 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(C(=O)NCCC)c1)[C@@H]1CCS(=O)(=O)C1 1507633998 WIOJUGARXPPINJ-FGZHOGPDSA-N 499.637 1.987 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COc2ccccc21 1507672142 VBAVSJZXTDJRDP-WIYYLYMNSA-N 469.567 1.250 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 1507740293 KWFNEMRSRKZVNV-QHCPKHFHSA-N 491.640 1.978 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC(NC(C)=O)CC1 1507967658 MJMWJRMHLJWFGT-LMDPOFIKSA-N 453.609 1.656 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC(N2CCCC2=O)CC1 1508093565 IUXJVOPJPMAFPI-UHFFFAOYSA-N 468.558 1.759 30 10 JDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCC2)CC1 1518654457 HUTCFJGJANOOBV-UHFFFAOYSA-N 454.531 1.329 30 10 JDEE C=CCN(C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)[C@H](C)COC 1531886355 ATHNADJHDZVETQ-MRXNPFEDSA-N 451.545 1.819 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(N(C)C)CCOCC1 1539155133 ROWVDEGYJRSMES-UHFFFAOYSA-N 460.604 1.376 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539207047 YYJLVTLTCCVPBC-GCJKJVERSA-N 466.604 1.374 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1conc1COC 1539669941 VZQQMUREZRXLCV-QGZVFWFLSA-N 454.553 1.196 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1540868714 OTXPFUVRJGREML-UHFFFAOYSA-N 466.933 1.653 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1c(C)nn(C)c1C 1540869486 OQMDEZHRQYIPEX-UHFFFAOYSA-N 461.530 1.883 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ncccn2)CC1 1540898514 MRLWAFIEQJEYPV-UHFFFAOYSA-N 469.571 1.671 30 10 JDEE CC(C)(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1541131442 GFYFRTHWDKZXCH-GOSISDBHSA-N 470.599 1.946 30 10 JDEE C#CCCN1CCN(C(=O)[C@@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)CC1 1542570052 HPWFMOLGUAXAIK-HSZRJFAPSA-N 451.564 1.502 30 10 JDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1547236434 CIXKTYDHZVACDX-SFHVURJKSA-N 473.603 1.499 30 10 JDEE CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 1558893417 HXZAMQVNOGTLAA-UHFFFAOYSA-N 458.496 1.095 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588049347 FGMGCDOTHIADFM-ROUUACIJSA-N 497.625 1.951 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588075067 WRYJXQBNVCQCCV-PMACEKPBSA-N 463.579 1.883 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1588258840 JUSFHZHEMLKGQF-KJJMTIBFSA-N 489.642 1.669 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2nc(C(C)(C)C)cs2)CC1 1588743214 YRJLOGWHHLHWQF-INIZCTEOSA-N 479.676 1.640 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(-n3cncn3)nc2)CC1 1594194585 XFXNMOHQVIRXHY-HNNXBMFYSA-N 457.564 1.315 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1595797105 DRXMPPLYFYFEOR-QZTJIDSGSA-N 453.609 1.814 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)C2CC2)CC1 1595798471 POWHPMOZUQXLSC-KRWDZBQOSA-N 451.593 1.268 30 10 JDEE CC(C)[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1612884918 IFYDOOOTLODUCN-ZMPRRUGASA-N 453.551 1.013 30 10 JDEE CCN(CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N)C(=O)OC(C)(C)C 1615627804 AFPVFTOJOJSIPT-HUUCEWRRSA-N 457.601 1.741 30 10 JDEE CC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H](c1ccc(C)cc1)n1cncn1 1623255700 FCAQAOHQCSEPHN-IFMALSPDSA-N 452.540 1.921 30 10 JDEE C=CCN1CC[C@H](N(C)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2CC)C1=O 1626098565 LULUIGZAMAAWTI-IBGZPJMESA-N 450.561 1.521 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1 1634074443 NZZFWUGNVCPRGO-UHFFFAOYSA-N 456.568 1.749 30 10 JDEE CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN[C@@H](C)c3ccc(C#N)cc3)CC2)c1 1653583879 CRIVLKGYRUNXMO-KRWDZBQOSA-N 454.552 1.945 30 10 JDEE CC#CC[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1666930171 MYWPESMCTSXIQY-QGZVFWFLSA-N 450.561 1.204 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC(C)(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1689988926 YWWIEXDAOQPKLN-MRXNPFEDSA-N 477.587 1.695 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)COCCO1 1690037143 NQKUJIPFYOUHKK-HSZRJFAPSA-N 471.583 1.464 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC=C)cc2)CC1 1690124792 UPLDLALPTXANJU-HXUWFJFHSA-N 455.584 1.549 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCn2cccn2)CC1 1690137720 HGWMIXYPRWLCBB-HSZRJFAPSA-N 455.563 1.183 30 10 JDEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690232802 WNYSNUKLOMNYST-HXUWFJFHSA-N 491.394 1.863 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690464614 HAPGMIGJLMXZKY-GOSISDBHSA-N 452.625 1.183 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)NCC)c1 1690528062 WNIYGSZVIRPRNV-SFHVURJKSA-N 462.576 1.031 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCCN(CC)C(=O)C1 1690725575 UZPKJCWTCMNVEW-UHFFFAOYSA-N 467.542 1.807 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1690730185 ZLWJSQUGRUOBFJ-QGZVFWFLSA-N 477.591 1.152 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCCC1 1698060774 GVLJMCNQNTVCBG-GOSISDBHSA-N 484.623 1.063 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCCN1CCCCC1 1705495146 LICSPBLJNHGIFR-PMACEKPBSA-N 466.652 1.725 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2c(C)noc2C)c1 1705504500 YCWQJTQYKWDGHF-INIZCTEOSA-N 499.597 1.792 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCCn2cnnn2)c1 1705505679 RIYNHQHVUNXFKA-UHFFFAOYSA-N 456.514 1.782 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cc(OC)nc2ccccc12)[C@@H]1CCS(=O)(=O)C1 1705558640 DEBJGNBIKNSMLP-GOSISDBHSA-N 496.593 1.648 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1705627869 REPFZCKGPYTKJD-DHIUTWEWSA-N 453.587 1.873 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1705637585 DAXMVRTYHZIKSG-NRFANRHFSA-N 450.591 1.038 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ccc(S(C)(=O)=O)cc1 1705673197 SVVQFECZFGKOPS-PGRDOPGGSA-N 457.556 1.704 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1705729494 ZTOXFIILVISYHM-HXUWFJFHSA-N 457.579 1.826 30 10 JDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705829513 UAWLGISPRWCMRY-QGZVFWFLSA-N 486.598 1.798 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1705875884 IYTGBNPPOYAZOF-ZCNNSNEGSA-N 496.678 1.677 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1705886093 RTCBYXTYCLMLAQ-JTSKRJEESA-N 499.634 1.539 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1705905796 HKGJFDPLTKCZHK-RBBKRZOGSA-N 494.644 1.383 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccc(OC)c2)CC1 1705907457 NKWZASRAZYIUQM-UHFFFAOYSA-N 464.574 1.777 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N(C)CC(=O)N1CCOCC1 1705907971 DFRKZMPSJGQKLV-UHFFFAOYSA-N 458.588 1.476 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1705946959 VSYXTUXWHHZLAE-RTBURBONSA-N 469.677 1.648 30 10 JDEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCN1CCN(C)C(C)(C)C1 1706585649 IBEXSSBJTRMPJI-UHFFFAOYSA-N 452.607 1.950 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCc2ccccc2C1 1708757018 BOGCLCUPGSKWSG-OAQYLSRUSA-N 451.575 1.984 30 10 JDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1709999681 ASMDCBCYIWZZHM-NRFANRHFSA-N 467.574 1.223 30 10 JDEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)S(C)(=O)=O 1710140668 HNCNSSRLRBWGCH-GOSISDBHSA-N 480.616 1.112 30 10 JDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)c1 1712686815 HMOWSYKGLNPQBF-AUUYWEPGSA-N 467.548 1.225 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1722359567 UANAJQSTVUMXCJ-HXUWFJFHSA-N 485.610 1.976 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1722370598 PAZSVGHPKXDTAY-YQVWRLOYSA-N 465.620 1.302 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1722371364 VSFAXJZFUPDMRF-DZGCQCFKSA-N 452.487 1.532 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)(F)F 1722429651 URIQOBMQPPEWIB-MRXNPFEDSA-N 487.504 1.651 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@@]2(O)CCN(C)C2)n1 1722429724 QSQRIELJKBGBDN-NZQKXSOJSA-N 457.579 1.069 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(N3CCO[C@H](C)C3)nc2)CC1 1722430062 VVMWFCHZZQEZIC-HXUWFJFHSA-N 494.644 1.620 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1722457388 BZKBBFXBIVKVMB-UHFFFAOYSA-N 464.599 1.806 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1722692081 WKRNTNQEMNYOQB-CYBMUJFWSA-N 474.509 1.846 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1722727582 JOUFEAYYGANQMB-LJQANCHMSA-N 490.630 1.893 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2OCC)CC1 1722728706 XGLBQUWEKLANHB-SFHVURJKSA-N 488.614 1.555 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1N1CCOCC1 1722867504 GVSYLFOWQIKIJW-IRXDYDNUSA-N 476.578 1.800 30 10 JDEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)CC1 1729676677 IEUWPSPAHAQCBZ-UHFFFAOYSA-N 481.601 1.802 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1740592448 XUTDIKCAAYTKEQ-FGZHOGPDSA-N 492.690 1.973 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740622332 XIYGADHPRXIUBD-HXUWFJFHSA-N 461.636 1.814 30 10 JDEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1740626790 CNGXWRIWPCLDTI-JTSKRJEESA-N 492.623 1.357 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1740629330 JTCDBVMGTRJDGD-ONTIZHBOSA-N 488.610 1.880 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1cccs1)N1CCOCC1 1740653644 SSAQYZCJOSVHQX-MOPGFXCFSA-N 452.584 1.827 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNc1nccc(C(F)(F)F)n1 1740655993 HKLIDCBPJHJEGN-OAHLLOKOSA-N 481.504 1.564 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCCN2CCN(CC)CC2)CC1 1740695529 VKKMXNHMLSZGKG-UHFFFAOYSA-N 450.635 1.821 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@](C)(O)CCC)CC1 1740701781 PUFGAVRHYZCTMU-XMMPIXPASA-N 477.573 1.438 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOCC(F)F 1740731828 IYDFKNBHKAVBJC-HNAYVOBHSA-N 461.535 1.275 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1740876349 QUDTYGFURBWBSW-IEBWSBKVSA-N 463.608 1.695 30 10 JDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1740890403 XJOYCMRUTVLHED-INIZCTEOSA-N 471.628 1.111 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1740951813 OKRQJSKVRHPWKM-MSOLQXFVSA-N 485.976 1.411 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740988346 BHFZUYHUBFMOJI-INIZCTEOSA-N 466.995 1.947 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)CC1 1740992434 PXNQPFWJPAUDHD-IBGZPJMESA-N 461.544 1.060 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cccnn2)CC1 1740995338 IPGVMDGUHAQFTD-UYAOXDASSA-N 489.646 1.914 30 10 JDEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1740999673 MNDLAKYNXOQWFV-UHFFFAOYSA-N 453.576 1.508 30 10 JDEE C#CCN(c1nnc(C)n1CCN1CCN(Cc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1748805040 NBNNHEKXRZKVNS-QFIPXVFZSA-N 456.616 1.031 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCOC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1748814159 ACBDMCYFDSTGQC-HKUYNNGSSA-N 463.604 1.595 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1c(CC)nn(C)c1CC)[C@H]1CCS(=O)(=O)C1 1748820594 FJJAMFLRPJLWBN-IBGZPJMESA-N 498.657 1.673 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)CN1CCOCC1 1748882526 WBZYKCRJRVCDGG-HXUWFJFHSA-N 469.611 1.780 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CCC(=O)N2CCOCC2)n1 1748970973 YVUDMUZUDSECFA-UHFFFAOYSA-N 457.579 1.307 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCOCC2)n1 1748971333 MCJLABUEIGEPCK-IBGZPJMESA-N 476.603 1.090 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2cn[nH]c2)CC1 1748989870 RAFXCXWOJHIHPF-IBGZPJMESA-N 470.578 1.308 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCCc2cnn(C)n2)CC1 1749019428 SWCAJJBMXZCRKC-UHFFFAOYSA-N 480.548 1.723 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCN(C(C)=O)CC1 1749530304 YGDUFZKPNGWDLX-QFIPXVFZSA-N 481.601 1.595 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1749668861 FUGVJVIQMVFRIP-FHWLQOOXSA-N 490.605 1.752 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCCCCC[C@H]21 1749721838 UYTZYJXZGVQRRB-YESZJQIVSA-N 459.638 1.648 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1749734777 MQUQGOMGNGNTST-BZSNNMDCSA-N 489.664 1.227 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CS(C)(=O)=O)c1 1760117513 PQYLIBPVTUNQKY-CRAIPNDOSA-N 450.586 1.231 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1760138025 PMAIVKCAVCTAQD-FQEVSTJZSA-N 459.620 1.430 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1760186832 AWUOYLQABPOUEP-GOSISDBHSA-N 471.562 1.559 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccnc1OCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1760188951 RQKFSHIGDMXUTO-IAGOWNOFSA-N 499.515 1.793 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C(CC)CC)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760190767 YRKYPQZEMVVXNL-UYAOXDASSA-N 459.620 1.728 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(C(=O)NCC)c2)CC1 1760255826 ASJBKQJMMHIGHX-SANMLTNESA-N 480.613 1.872 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1760265097 NROWIWNGGQEJIW-SIBVEZHUSA-N 494.596 1.653 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1760266486 ABXLOFGDYFVZBH-IBGZPJMESA-N 479.541 1.734 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(OC)CC1 1760357175 GDUKATMKDVUHBN-RXVVDRJESA-N 471.624 1.599 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1760522117 LYRBCCYZQKAVDJ-FXAWDEMLSA-N 454.531 1.445 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H]1CCCOC1 1760523228 QFNWBKVEHCLOBV-MRXNPFEDSA-N 461.592 1.403 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1760551849 TYYIGCNIQXSBIZ-HTAPYJJXSA-N 457.556 1.802 30 10 JDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1760565531 YXRSDZYACRPHIH-IEBWSBKVSA-N 475.663 1.718 30 10 JDEE CCOC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1765691723 FIBQALWOSDNXSI-UHFFFAOYSA-N 469.546 1.874 30 10 JDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1766249288 DSBSQAFIYDYHJW-LJQANCHMSA-N 471.587 1.347 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)C1 1858305166 YEWWNDHOQFWIOY-MRXNPFEDSA-N 452.492 1.124 30 10 JDEE COc1cc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1O 1862565497 YSULGWWBIODKBP-OAQYLSRUSA-N 483.521 1.902 30 10 JDEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(O)cc1O 1865723154 JSHTVHZDWODMDL-KRWDZBQOSA-N 472.542 1.667 30 10 JDEE CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247881103 RIWFRJWEIQBOQN-UHFFFAOYSA-N 450.391 1.984 30 10 JDEE CO[C@@H]1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255641471 ZZZRELFVXGWKQF-ZIAGYGMSSA-N 453.370 1.806 30 10 JDEE C=C(CS(=O)(=O)N[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)B1OC(C)(C)C(C)(C)O1 2255802417 YUHZGSBMTGJYQV-BZUAXINKSA-N 458.386 1.728 30 10 JDEE CN(C[C@@H](O)CN(C)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255842876 YOPDVOGRBDRARW-ZDUSSCGKSA-N 455.386 1.742 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256637860 WFOFVYRPWUQVSE-STQMWFEESA-N 453.370 1.999 30 10 JDEE COC(=O)[C@H](CCNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267549923 RUWORPWGMMWPQX-ZDUSSCGKSA-N 469.369 1.629 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)n1 2281996247 MJNKLJJEXGALPE-UHFFFAOYSA-N 464.328 1.006 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@]1(=O)CC[C@@H](NC(=O)OC(C)(C)C)C1 2282004888 MKKBLZBHYPAMLW-GSLRCMBYSA-N 482.412 1.933 30 10 JDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)OC1(C)C 2282511377 LWLPFEPHDSTFCA-UHFFFAOYSA-N 497.370 1.663 30 10 JDEE CC(C)(C)OC(=O)NC1(CO)CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2282677918 FSOYLIYUPNXTEK-UHFFFAOYSA-N 461.368 1.873 30 10 JDEE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282684463 QWGGLGSVRHKDKU-CABCVRRESA-N 463.388 1.880 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 2282684748 VQTUOSWVHIXGDO-KFWWJZLASA-N 461.372 1.347 30 10 JDEE CC(C)(C)OC(=O)NC[C@@]1(O)CCCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282708008 GTGFLDYKWDNWIG-QHCPKHFHSA-N 461.368 1.873 30 10 JDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1(CNC(=O)OC(C)(C)C)COC1 2282837311 TWKOCLCZKZZEDV-UHFFFAOYSA-N 482.408 1.866 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 2282851000 WBMRPNOEQRFCBD-GOEBONIOSA-N 482.412 1.349 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282862644 GHFVUIAXUXOTDN-LSDHHAIUSA-N 484.428 1.501 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2284047476 ICRSUCAMIOIGCE-YESZJQIVSA-N 482.770 1.919 30 10 JDEE CC(C)(C)OC(=O)NCc1cn(CCNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)nn1 2287191473 IPHNCJJELXIXRN-UHFFFAOYSA-N 478.384 1.489 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2315695910 TYVVTCQNUDCEIL-KGLIPLIRSA-N 453.370 1.542 30 10 JDEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(O)cc1O 2329013012 BUYVVDVRQCCZDK-HNNXBMFYSA-N 460.560 1.914 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2359308868 DJSVLZMFQPXIGQ-FBJOKTGGSA-N 460.340 1.330 30 10 JDEE COc1cccc([C@@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)c1OC 72444242 GXCVTJQIBCBZEF-HOCLYGCPSA-N 467.482 1.354 30 10 JDEE O=[N+]([O-])c1ccc(NN=Cc2ccccc2F)c(S(=O)(=O)N2CCN(CCO)CC2)c1 1084341902 LXVZQLRCKYTGJY-UHFFFAOYSA-N 451.480 1.479 30 10 JDEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3cc(OC)c(OC)c(OC)c3)n[nH]2)cn1 1084533644 KDHYHSLEZZHSSC-UHFFFAOYSA-N 490.546 1.850 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)c1 1136310556 NDWMHKBQKYRCAM-QUCCMNQESA-N 459.499 1.028 30 10 JDEE C[C@H](NC(=O)[C@H](C)N1CCN(c2ccc(C#N)cc2F)CC1)c1ccc(S(N)(=O)=O)cc1 1190741271 CPCZRNRYTLCFEP-HOTGVXAUSA-N 459.547 1.733 30 10 JDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1286323964 KJOJWURJFCUXOZ-IBGZPJMESA-N 474.562 1.683 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COCC)C1 1286325609 ZTXRAVRRQSDHEQ-MOPGFXCFSA-N 453.609 1.667 30 10 JDEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286350728 KUHXVIWKNGSSEV-UHFFFAOYSA-N 450.587 1.572 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cc(OC)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1286396795 WNCQQSVMLVYQHH-MSOLQXFVSA-N 490.582 1.483 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(OC)c1)N(C)C 1286429370 AUYMPWABFSNYAE-IFMALSPDSA-N 469.611 1.955 30 10 JDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N1CCOCC1 1286447880 OFGXNALPWQBTON-UHFFFAOYSA-N 452.563 1.161 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](CC(C)C)N(C)C)CC1 1286485291 IQVCSAAXVCRZNL-FQEVSTJZSA-N 457.623 1.456 30 10 JDEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286506252 RMWBWPAJRDCLTE-QGZVFWFLSA-N 451.593 1.892 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)CC(F)(F)F 1286581627 MKRUNIZNMBMWQG-HNNXBMFYSA-N 468.546 1.508 30 10 JDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1286592968 FKXMHWWTEYOCTJ-MISYRCLQSA-N 464.636 1.135 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1286606605 VUJKAYNENIBJCG-HXUWFJFHSA-N 488.614 1.474 30 10 JDEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286619560 SYCVOVUDAGNBGI-HNNXBMFYSA-N 451.959 1.716 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1286712237 UTCYZGUSHWPAKF-KURKYZTESA-N 457.597 1.065 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CN1CCOCC1 1286727105 MRDWGZZRFFXQNG-NRFANRHFSA-N 490.630 1.114 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1286781798 ATUPLCHDUOZZPI-QFIPXVFZSA-N 459.572 1.658 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C)C(=O)C1 1286783729 KFJOJWRBEQOVQS-UHFFFAOYSA-N 451.300 1.427 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1286784303 CYUDNCZTNZUGKI-KRWDZBQOSA-N 476.603 1.364 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1286785239 CBJWDUNWEMBUSP-IBGZPJMESA-N 453.547 1.257 30 10 JDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC[C@](C)(C(=O)NC)C1 1286799064 PGOICVHKSVCWEG-DEOSSOPVSA-N 452.559 1.976 30 10 JDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(C(N)=O)CCOCC1 1287217860 FKKUCPMBOKFZRR-MRXNPFEDSA-N 453.551 1.060 30 10 JDEE C[C@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)N1CCOCC1 1288506074 FMRTYSBXEBBYOK-MRXNPFEDSA-N 473.965 1.849 30 10 JDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1298943200 AMOXEWXIVZBLTH-GOSISDBHSA-N 463.546 1.971 30 10 JDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300404474 ZJIFDCHPLJAFFD-UHFFFAOYSA-N 469.571 1.773 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1300708280 QGKRBRWYBNSPPJ-UHFFFAOYSA-N 457.600 1.888 30 10 JDEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1301383014 CRVKBGOBELSIDG-OAQYLSRUSA-N 456.528 1.322 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(C)=O)nc1 1301403499 KJHSQHFDZFVEHH-SFHVURJKSA-N 475.575 1.191 30 10 JDEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@]1(O)CCS(=O)(=O)C1 1301420642 HJXOFNYXSGZFRZ-JOCHJYFZSA-N 457.556 1.682 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC=C(C(F)(F)F)CC1 1301493124 VBHDPADEPFBUKG-UHFFFAOYSA-N 459.436 1.922 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1301500263 KOUKYOHNMWUSSL-WOJBJXKFSA-N 473.599 1.320 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H]2c2nncn2C)cc1 1301519788 YKCUQPZUDDJEOE-APWZRJJASA-N 486.602 1.971 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C(F)(F)F)cc1 1303866171 GVMYXYXHFIMPFM-WFASDCNBSA-N 458.466 1.684 30 10 JDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)C1 1315101758 AZYZAOQIHRMHCB-LJQANCHMSA-N 468.558 1.839 30 10 JDEE CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 1357329124 AXFXKOPCMUGFRX-AWEZNQCLSA-N 453.929 1.366 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCNS(=O)(=O)CC)c1 1358901703 UHLFHJVIGKUVOV-UHFFFAOYSA-N 455.544 1.269 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ncc(Cl)n1C 1358913009 CYLIMXGLAFRVLD-HNNXBMFYSA-N 469.999 1.438 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1C[C@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1358962487 QQGOLGBFRQZBKH-QZTJIDSGSA-N 454.618 1.530 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCS(=O)(=O)C1 1359014945 CKHGNIDOVIMDIM-SFHVURJKSA-N 459.547 1.728 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCC2(F)F)CC1 1359036544 YYZIXCWVXURETA-QZTJIDSGSA-N 486.589 1.192 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CC(=O)NCC(F)(F)F)CC1 1359039133 XYXZYTXTFITMOI-UHFFFAOYSA-N 464.492 1.853 30 10 JDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1359053130 CIJLHMSAHDYKSA-SFHVURJKSA-N 461.555 1.715 30 10 JDEE C=CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1359281664 GVAHLKXYPSQMPL-FQEVSTJZSA-N 456.515 1.336 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359287645 OYSBBAIZIDTJQD-QGZVFWFLSA-N 484.623 1.633 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](F)C1 1359300899 MHGVTWBSGKXFAS-PMPSAXMXSA-N 452.531 1.683 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=O)NCC(F)(F)F)C1 1359315958 FSBQPONFCLKGGQ-INIZCTEOSA-N 477.451 1.381 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2c(F)cccc2F)C1 1359321651 JTIPLJBTAKQCSP-OXJNMPFZSA-N 497.568 1.913 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C2CCCC2)CC1 1359331486 AQDJYQBVBRSMPT-GOSISDBHSA-N 450.609 1.285 30 10 JDEE C#CCOc1ccccc1CNS(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1463107498 AOSAGEGEEZOCFK-UHFFFAOYSA-N 451.302 1.991 30 10 JDEE C[S@@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)CCC1 1505151205 CIAUYKMAUPADIT-WJOKGBTCSA-N 476.628 1.590 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cnc2ccccc21 1507536771 DVTPCFBRXVVRKF-YLJYHZDGSA-N 471.587 1.509 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1507558454 XDFYKOCOCAKBGI-QZTJIDSGSA-N 465.624 1.274 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)n1 1507715752 CLCJRCFDCACAKR-JTJHWIPRSA-N 469.590 1.916 30 10 JDEE C#CCSCCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507758498 NGZOLPAKNVGLON-YLJYHZDGSA-N 456.634 1.699 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C(C)C)C(C)C 1507772718 MUTCECBVPHCNAA-DENIHFKCSA-N 466.652 1.722 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)N(C)C 1507773330 PUOKDRDGLFOLBT-JOCHJYFZSA-N 472.619 1.336 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)=O)CC1 1507795868 FRAICHVMLVABQD-AOIWGVFYSA-N 451.593 1.266 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)=O)CC1 1507798719 UEBUBAOVEXKBNW-FPOVZHCZSA-N 473.599 1.998 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1507831971 JIVUKFNXCNCJPG-QFBILLFUSA-N 497.643 1.788 30 10 JDEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1 1507845620 LJJRKILBFOXWBD-IRXDYDNUSA-N 464.567 1.491 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1507954836 QJLAQTBNTNLEOG-WOJBJXKFSA-N 472.615 1.495 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C(C)C)CC1 1507967876 NOQSJHHWMHYLCS-GOSISDBHSA-N 453.609 1.468 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCNC(=O)C(C)(C)C)C1 1508119215 YVZYATXKPZPEDT-LJQANCHMSA-N 465.562 1.864 30 10 JDEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCS(=O)(=O)CC2CC2)CCOC1 1516193610 FCOFZZUFHPQFEV-SFTDATJTSA-N 451.593 1.885 30 10 JDEE COCCN1C(=O)c2ccc(C(=O)Nc3ccnn3-c3ccc(C#N)cc3)cc2S1(=O)=O 1538192534 ABTGHRNCSMXNLH-UHFFFAOYSA-N 451.464 1.787 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCCN2CCCC2)CC1 1539125566 OIHOTEVYUOIKBI-NRFANRHFSA-N 494.662 1.106 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1OC 1539177956 CKWABULANNCFDT-LPHOPBHVSA-N 463.560 1.157 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCNC(=O)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1539215894 LEYJTTLKLSVISQ-IBGZPJMESA-N 466.567 1.638 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCCS1(=O)=O 1539311884 ALBQIIPFMCXIOD-UHFFFAOYSA-N 463.567 1.629 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)c(OC)c1 1539326219 SNDTWLMZLWSYDZ-QFIPXVFZSA-N 485.610 1.634 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCc2ccccc21 1539417183 YKPYSUOHHIJNOO-QUCCMNQESA-N 457.600 1.717 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCCN2CCN(CC)CC2)CC1 1539467397 SHVIQNOJLXYVLN-UHFFFAOYSA-N 457.667 1.959 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1539476868 GRFNFPLDFUZYKM-IBGZPJMESA-N 452.534 1.605 30 10 JDEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](C)(C(N)=O)C1 1539751924 XQKWEWOAGALFLB-HSZRJFAPSA-N 454.579 1.747 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO1 1540134120 SEJMOJYAXURVDX-WOJBJXKFSA-N 461.588 1.983 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCCCC2)C1 1540871490 MYIXSRRZENVQOQ-KRWDZBQOSA-N 466.608 1.074 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1540874900 VLKRYEVIGARJSJ-SBUREZEXSA-N 452.515 1.415 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1540981888 AGGPATQVCCVUNR-LSDHQDQOSA-N 460.498 1.012 30 10 JDEE CCC[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1546832751 HRCICZUJDLBVNZ-AOMKIAJQSA-N 493.609 1.777 30 10 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N#C[C@H](c1ccc(F)cc1)N1CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 1653261992 BPEPPONGVLGZME-OAQYLSRUSA-N 459.547 1.014 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1689916606 PEMURDKJMWBQDD-QGZVFWFLSA-N 450.586 1.775 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1689929981 IULAMMGPCNURNS-FQEVSTJZSA-N 488.614 1.716 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1689932001 OKTXZVRLAYKWFN-JKSBSHDWSA-N 494.618 1.128 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689978426 VHPLFHAEPJTCAM-HZPDHXFCSA-N 453.634 1.575 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCn1cc(CO)nn1)[C@@H]1CCS(=O)(=O)C1 1689984801 VPUDMRHHQAYBLS-LJQANCHMSA-N 489.989 1.399 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Br)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1689986169 KEQKVFBVZLLSTQ-CQSZACIVSA-N 480.388 1.470 30 10 JDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690086854 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C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1705568927 ASYXCCGQRQYJMK-GOSISDBHSA-N 466.567 1.279 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1705572335 XZPXSYWUTHJTCS-XIYVOTBMSA-N 494.658 1.875 30 10 JDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(=O)(=O)CC 1705605376 IZTZPWYOXAXKDX-UHFFFAOYSA-N 452.606 1.441 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCNS(C)(=O)=O)CC1 1705634339 RXPDANOKHYADPP-UHFFFAOYSA-N 485.383 1.151 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(CSC)cc2)CC1 1705639172 IAOMMZCIYRIPPI-FQEVSTJZSA-N 459.641 1.847 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)SC)CC1 1705648825 ZXCAIRRKXXYZRI-INIZCTEOSA-N 453.634 1.288 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1705649796 GXGMVAFOJIITRH-UHFFFAOYSA-N 464.617 1.155 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705791723 CMJIFENVJOFUNG-MRXNPFEDSA-N 459.638 1.254 30 10 JDEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1705818173 CCCGAYBXTVHQJZ-SFHVURJKSA-N 451.531 1.592 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(F)c1 1705876451 YICUESIIDLHLCM-LJQANCHMSA-N 465.551 1.985 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1705877728 OFIYQFLFXWXPAD-JOCHJYFZSA-N 456.572 1.463 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@H](N2CCCC2=O)C1 1705908004 FHEYDLBQBCVSJT-KRWDZBQOSA-N 454.531 1.369 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C)OC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1705939547 ZIHRXHQUHYHRTO-UTKZUKDTSA-N 456.609 1.923 30 10 JDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)CC1 1710336095 BIVXNEVTEHGZFW-UHFFFAOYSA-N 450.547 1.714 30 10 JDEE Cn1ncc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)n1 1711282330 DAUVXWHOMKRWIY-SFHVURJKSA-N 483.602 1.344 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1722364274 FLTUXJSIJWLTPI-IBGZPJMESA-N 486.623 1.490 30 10 JDEE C#CCN(c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1722365766 FHTPHDPHVSZTBX-QZTJIDSGSA-N 498.609 1.727 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1722365962 GLZSOQLPBYHYTJ-ZIAGYGMSSA-N 452.487 1.185 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N(C)C)CCOCC1 1722384958 WIPPGFPBNIQFHY-FQEVSTJZSA-N 486.617 1.770 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC2CCN(CCN(C)C)CC2)CC1 1722438201 OHVZYDPUSMHQBX-UHFFFAOYSA-N 450.635 1.677 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(F)cn2)CC1 1722449533 LRIAVKRFONBHPK-UHFFFAOYSA-N 481.557 1.818 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)N(C)C)CC1 1722453576 YKXBWXMXLUKPIM-RLLQIKCJSA-N 487.649 1.965 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1722683264 JHLFFTQPTCTFOD-QGZVFWFLSA-N 468.601 1.565 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1722698315 CWKAGKYMYZNXFL-OAQYLSRUSA-N 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N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCCO3)CC1 523632279 FISJGBNHMKDZSL-UHFFFAOYSA-N 454.508 1.355 30 10 JDEE C=CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)NCC(=O)O 757275389 IYNAKHZLDXMVDU-HXUWFJFHSA-N 451.479 1.787 30 10 JDEE COc1ccc(CCNC(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)cc1OC 1083923396 VKTGRBVOFVBGSL-UHFFFAOYSA-N 471.543 1.612 30 10 JDEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)n[nH]2)cn1 1084597089 RQJKXRLSTGTPOP-UHFFFAOYSA-N 458.504 1.596 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)n1 1139833784 PRCSYAOUEOGRDQ-UHFFFAOYSA-N 453.524 1.423 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](C(=O)Nc4cn[nH]c4)C3)CC2)cc1 1141235024 GULWNQFNNVPQLK-QGZVFWFLSA-N 456.528 1.169 30 10 JDEE CCO[C@@H]1C[C@](O)(CNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1(C)C 1156625189 HGOZHHDLRLURHB-CECAUBDESA-N 451.589 1.822 30 10 JDEE N#C[C@H]1CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CCN1Cc1ccccc1 1209575978 SXKACXSFGMGQPV-IBGZPJMESA-N 452.536 1.712 30 10 JDEE C#CC[C@H](COC)NC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1227748520 AQUKEPJDZZVJCZ-HZPDHXFCSA-N 458.378 1.940 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCC2(C1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1286381602 NLGAZFHZLRTXTN-PKOBYXMFSA-N 493.630 1.366 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286381931 PROVGDGKURQJMN-PZJWPPBQSA-N 486.642 1.564 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCCC2=O)cc1 1286467278 OJWFOAMVJWLCGT-OAQYLSRUSA-N 485.610 1.437 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCC(O)CC2)CC1 1286472707 CKHUBYYWWWTCNI-UHFFFAOYSA-N 453.547 1.455 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2OCC[C@H]2C)CC1 1286478493 BCWLQRCWSHEHOS-VAMGGRTRSA-N 474.606 1.767 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)NC)CC1 1286555729 LJHVUPNEIDTARK-HBFSDRIKSA-N 465.620 1.514 30 10 JDEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286597604 UZPPLUXHMQPTCI-UHFFFAOYSA-N 468.558 1.713 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1286608225 NRRUBALGOVJMPO-OAQYLSRUSA-N 487.626 1.664 30 10 JDEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](C(N)=O)C1 1286706437 OKVNTDGRPCHRLC-KRWDZBQOSA-N 475.619 1.841 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1286770494 NEZVZZBBAHFHKP-UHFFFAOYSA-N 453.590 1.395 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1286788839 HPUKLYCWLOAKKB-SFHVURJKSA-N 453.591 1.943 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C(=O)OC)CC1 1286790557 NKTKUHQJVHHROP-UHFFFAOYSA-N 495.628 1.334 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1286809397 IUTJJEGIYZPOOY-YESZJQIVSA-N 477.553 1.846 30 10 JDEE C=CC[C@@H](CO)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1295808960 OXLDTQMUOWWOCR-LJQANCHMSA-N 451.589 1.217 30 10 JDEE C#CCCCCn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300376745 NIPBMWLBTDUDHS-GHTZIAJQSA-N 453.609 1.592 30 10 JDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1300456127 UZYRLBCDZMANFJ-LJQANCHMSA-N 462.558 1.606 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1300484983 VPWVDHOZDYHFAT-QGZVFWFLSA-N 471.004 1.660 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)CN1CCOCC1 1300537219 BBWGGEUTJHGLFE-RTWAWAEBSA-N 486.617 1.628 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCCCN(C)C)cc2)CC1 1300681538 SXVOMSWPYZRFIZ-UHFFFAOYSA-N 479.629 1.648 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1300710869 OMTBBPKSISYDKI-CGXNFDGLSA-N 488.633 1.856 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@](C)(O)CCOC)CC1 1300719550 GPAKWGMCYRCDRS-AREMUKBSSA-N 491.596 1.884 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCC(F)F 1300802410 OUDMJBWOGZEBPL-JOCHJYFZSA-N 458.517 1.826 30 10 JDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OCCOC)CC1 1300830048 CRNYSEFRYZVZKD-CYBMUJFWSA-N 466.402 1.429 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300894380 AXHOSWKBRNLYOY-RLBLXZPPSA-N 490.649 1.630 30 10 JDEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(=O)NC)CC1 1300972337 LSLVVOAEDIJGQK-UHFFFAOYSA-N 490.634 1.601 30 10 JDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 1301169989 KUPFZKJGRKPPRK-QGZVFWFLSA-N 452.567 1.925 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CCS(=O)(=O)CC1 1301349284 NHSKBOQRORXHNS-SFHVURJKSA-N 459.572 1.362 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1301482804 CCMPZXQVEXPBJA-MRXNPFEDSA-N 489.378 1.748 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1301499584 CJMBURLQAQNNGK-GOSISDBHSA-N 484.582 1.402 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1301578731 GUDDYXUFWCDCND-QGZVFWFLSA-N 473.555 1.945 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1301588939 MMCUCCXNDZZYSK-ZWKOTPCHSA-N 487.648 1.125 30 10 JDEE C=CCC1(O)CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Br)C1 1303534622 KMOHXFDIXMXZJC-OAHLLOKOSA-N 459.362 1.132 30 10 JDEE CNS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1315066371 DXZXJNJWWWMSNO-RTBURBONSA-N 460.560 1.518 30 10 JDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1358954968 BLCKHUTVDLZTFB-SFHVURJKSA-N 494.017 1.913 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358963229 DWOGIWSEWGMGFP-TZIWHRDSSA-N 457.600 1.935 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1358974268 XDZMTENZRAQJGW-QGZVFWFLSA-N 457.556 1.459 30 10 JDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCN/C(O)=C1\N=CC=CC1=O 1359012837 AVDXXZKAYVOPQB-CZIZESTLSA-N 453.528 1.256 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1359023610 PUNWMDVZNORHHN-GOSISDBHSA-N 498.609 1.757 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1359038874 OAOXWXCRPVFJOB-UHFFFAOYSA-N 481.645 1.647 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)C[C@H]2C(=O)NCC1CC1 1359048698 ZMUNCSAHMXKLPS-SFHVURJKSA-N 458.632 1.915 30 10 JDEE C=C(Cl)Cn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359157935 YMSZNDLDISVDTJ-UWJYYQICSA-N 453.971 1.899 30 10 JDEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCNS(=O)(=O)CC)CC1 1359177210 FDDKYSRWFWDYGW-UHFFFAOYSA-N 471.587 1.534 30 10 JDEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359189644 PYBSNVOSYIEAHK-OAHLLOKOSA-N 458.513 1.896 30 10 JDEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)NCC)CC1 1359228703 LSNPRFKWYZUFDD-UHFFFAOYSA-N 452.563 1.961 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1359292244 LGVRGVVHNCWBEL-UHFFFAOYSA-N 485.976 1.270 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1359298023 JZOIKDJNCZWOQP-SFHVURJKSA-N 462.558 1.929 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cccc(OC)c1 1359300843 LDTUURDZGVRBSF-HKUYNNGSSA-N 459.572 1.833 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)OCC)[C@@H](O)c2cccnc2)ccc1F 1454673214 RKQXRJLINHFLTQ-ROUUACIJSA-N 451.476 1.080 30 10 JDEE Cc1cc(O)nc(N2CCC(NC(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 1456156229 GZNKYGVYSBZUGA-CYBMUJFWSA-N 458.544 1.093 30 10 JDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCNS(C)(=O)=O 1507610577 GBTRNTNFLMQIRB-UHFFFAOYSA-N 457.560 1.245 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1Cc1nnn(C)n1)[C@H]1CCS(=O)(=O)C1 1507628570 XIJQNMZCIGEGFT-ZWKOTPCHSA-N 454.560 1.019 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1507629455 UFGFROZEENEPHM-FUHWJXTLSA-N 476.555 1.004 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1507631652 RPFMABSHBXIRFU-AVRDEDQJSA-N 472.571 1.423 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1507633009 RCSVRSWIPPXIDQ-NJYVYQBISA-N 479.647 1.156 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507638540 GDNSXWJCJSGPFA-RTWAWAEBSA-N 475.663 1.743 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1507689904 NTJRWEPZAGFZCV-LXGFNABISA-N 451.593 1.012 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nncn1CC 1507714543 QPIJBZYSSLTJGE-CALCHBBNSA-N 458.567 1.795 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCN2CCSCC2)CC1 1507732615 IIQUIDYLOFIJSO-BGYRXZFFSA-N 489.690 1.853 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1507734371 WPNDFIDMMJPWEZ-KRWDZBQOSA-N 489.621 1.638 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1507741722 ZLGLVGUXRNFKSH-UHFFFAOYSA-N 459.620 1.608 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1507752209 WVATXJZVFGFFHA-SBUREZEXSA-N 490.630 1.669 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1508132379 XQBFTYGFAOGQOI-UHFFFAOYSA-N 496.531 1.137 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1508143737 NDTGLZSDKRGFLU-SFHVURJKSA-N 492.671 1.946 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H]1[C@H]1CCCO1 1508146968 FYZQURGIYJYUTD-OKYOBFRVSA-N 454.593 1.751 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1508148665 WWRLELVFSKJNGU-DYXWJJEUSA-N 497.662 1.292 30 10 JDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1)N(C)C1CC1 1510075594 FDUJUVIVPYNRCJ-KRWDZBQOSA-N 487.630 1.729 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(=O)N(C)C)CCCC2)C1 1516022175 DSXURKPJWYFLRV-FQEVSTJZSA-N 499.641 1.983 30 10 JDEE COCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CCOCC1 1518794199 BOFXCZIERCXBGY-GOSISDBHSA-N 451.593 1.753 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1538992244 NUEPTGSJEMFYAL-MESBPSPMSA-N 450.499 1.947 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCOCC2)c1 1539016147 SZZCMXFZLQUMIE-WMZOPIPTSA-N 459.572 1.639 30 10 JDEE C#CCCCn1c(N2CCC(CNS(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539139427 FBPVHUBCQUMUIO-NRFANRHFSA-N 453.609 1.498 30 10 JDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1539147547 BVEVERQJHLCNGP-JKSUJKDBSA-N 454.597 1.605 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539200876 RAXCDYPRRUBXEM-WOJBJXKFSA-N 476.647 1.405 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1539203539 RSELRNFKCNYUHV-NXHRZFHOSA-N 475.546 1.463 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1539207103 ZGOWVMALODAQED-WMQCIHAUSA-N 454.593 1.108 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1539211744 OHIOMFVQGAABLJ-RTBURBONSA-N 458.588 1.169 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CC)CCC1)[C@H]1CCS(=O)(=O)C1 1539219393 CBTBIOJJNHMAPQ-SJORKVTESA-N 454.618 1.387 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCCOC 1539323693 JHZDEESDQUSVPF-HXUWFJFHSA-N 456.568 1.717 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@@]2(O)CCSC2)n1 1539424194 NTLIRGAGNUDJRK-AVRDEDQJSA-N 460.604 1.523 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1539445952 LRUJLBZKDIDZEA-OAQYLSRUSA-N 457.460 1.940 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)N2CCN(CC)CC2)CC1 1539453366 IRMPRBGKCVLYRI-NRFANRHFSA-N 453.610 1.789 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2cccc(C)c2)CC1 1539477804 ZECRGNZFZYSBPB-FQEVSTJZSA-N 450.543 1.582 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCNS(C)(=O)=O 1539622213 FCCZZNYGXSCHBQ-LPHOPBHVSA-N 463.560 1.640 30 10 JDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1539705126 PORJJBGXOSFSNP-GVDBMIGSSA-N 497.618 1.506 30 10 JDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1540048346 UIHUIQQNPJGBMR-VVLHAWIVSA-N 484.623 1.535 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](COCc2ccccc2)C1 1540861982 NSGMSLCKSZZLTH-HXUWFJFHSA-N 452.559 1.859 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1540870715 UXOBAZRQBIVIBP-QGZVFWFLSA-N 456.551 1.256 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCN(CC)CC2)C1 1540891945 CHJOYWJULAESOT-QHAWAJNXSA-N 480.679 1.235 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CCO1 1541073980 GDFLWIRPBOLJAT-PMACEKPBSA-N 472.571 1.125 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 1545161438 WKPIOEXOLWJOET-UHFFFAOYSA-N 453.564 1.809 30 10 JDEE C#CC[C@H](CO)NC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@@H](C)CC 1556832738 HIPHZJVCFYJCQE-IYOUNJFTSA-N 457.980 1.235 30 10 JDEE CC(=O)OCC(=O)[C@]1(O)[C@@H](O)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](OC(C)=O)C[C@]21C 1565535454 MCXFEPIGNNTCAA-QQJNPHFDSA-N 460.523 1.670 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)CC1 1568701336 MOOLKALJDYUMLO-QRWLVFNGSA-N 451.354 1.406 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)cc1 1586910144 BZPHWVXTKVJJTA-INIZCTEOSA-N 452.558 1.576 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588024492 FOOKTYSQTQQLKE-UYAOXDASSA-N 455.584 1.945 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1588034332 DHLIQYLSMHDFGL-AVRDEDQJSA-N 462.547 1.744 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1588035315 RJNYCLZHOBCGTO-CVDCTZTESA-N 480.631 1.905 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1588060074 YVEIHFWWMYXQBP-ADSBAMQRSA-N 460.625 1.715 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)cc(OC)c1 1588233666 NLKGKKKDZIDAME-OAQYLSRUSA-N 471.583 1.439 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1588806226 JWZZHMRXQHKWIV-RTWAWAEBSA-N 457.623 1.121 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccn(C)n2)CC1 1588899032 KXIDCAGZMCAKMC-UHFFFAOYSA-N 481.582 1.096 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2snnc2C)CC1 1588899171 LUCPMWCZYKZEQZ-UHFFFAOYSA-N 499.622 1.523 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCC[C@H]2C)CC1 1588929961 JZCHZIVHCLSDLI-TZIWHRDSSA-N 490.674 1.411 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCNC(=O)OC(C)(C)C)CC1 1588962344 ZVZHQBVPOWHSKK-UHFFFAOYSA-N 487.605 1.281 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1588967842 BWAJGDPCVNFBSZ-UHFFFAOYSA-N 452.584 1.843 30 10 JDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1588975733 KQDSZMHLOUZHOS-GHTZIAJQSA-N 489.690 1.552 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(OC)CCOC1 1589171978 WBFRCANRXVHWPA-PKTZIBPZSA-N 473.599 1.993 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)cs2)CC1 1589493614 IGUPSJMLMMAAEC-BZSNNMDCSA-N 495.675 1.961 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1589547899 WSPYIEBUNQAUGP-TVFCKZIOSA-N 472.633 1.175 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1593696774 XWIVWGOHAICAIK-CYBMUJFWSA-N 489.524 1.853 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCN(CCN(C)C)CC2)CC1 1594014131 OKINRHPZNPWBIX-SFHVURJKSA-N 453.657 1.318 30 10 JDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1595314336 RHFKIUWQVSJBQD-UHFFFAOYSA-N 466.590 1.882 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H](C)C(=O)NC 1595490638 VJANMFGKEIWZHI-GFCCVEGCSA-N 452.357 1.167 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOCC2(CCC2)C1 1595496789 HLBVJEXPKPKUMC-UHFFFAOYSA-N 488.614 1.505 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](CC)C1 1595538077 YMLMDTPSQPTZKO-MRXNPFEDSA-N 451.531 1.592 30 10 JDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1615666098 CNJBTFBUPBEJPK-MRXNPFEDSA-N 451.574 1.122 30 10 JDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)C1CSC1 1629033826 JSRGOQSRJHLHRN-UHFFFAOYSA-N 450.582 1.826 30 10 JDEE C#CCCCS(=O)(=O)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 1654703120 ZBICJKUMDSVBJT-UHFFFAOYSA-N 455.421 1.950 30 10 JDEE C#C[C@@H](NC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1)C1CCOCC1 1684188645 UJBOCWFLOJOAKZ-QGZVFWFLSA-N 450.517 1.258 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)NC(C)C 1689826008 GTXUBZLIIMODCK-OAHLLOKOSA-N 466.995 1.647 30 10 JDEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1689904418 VJVFHZXGQHGTCX-UHFFFAOYSA-N 467.509 1.135 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1689977959 IHWGPCOMIVDLBO-DLBZAZTESA-N 451.618 1.284 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1689981960 FARAXNDPQRQISU-SFHVURJKSA-N 487.582 1.115 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1689982030 GOOUKEBCYMRKLK-ZJSXRUAMSA-N 493.674 1.679 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689982266 KEGNQAHKZWCRHS-JPYJTQIMSA-N 495.646 1.108 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1OC1CCCC1 1689999753 HOAPAGIFSWYLHO-QGZVFWFLSA-N 456.572 1.726 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCOCC1 1690036933 GUOJEXVKGUEUEW-UHFFFAOYSA-N 455.584 1.534 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1690117385 FQBHWPINHHTGRD-UGKGYDQZSA-N 455.559 1.769 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1690120174 JWFOXBUDPKNQPP-UHFFFAOYSA-N 453.572 1.027 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CCCC2(C)C)CC1 1690375423 KQOQFOJWDNEQAK-UWJYYQICSA-N 453.609 1.709 30 10 JDEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1690655531 ZKPYRIIBMRBELO-IBGZPJMESA-N 489.621 1.517 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](C)N1CCc2ccccc21 1692780446 FHYSZMITMCGCIQ-VWKPWSFCSA-N 461.567 1.781 30 10 JDEE CN(C)C(=O)CCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 1696580887 CCZZVCKZMIIHNX-QFIPXVFZSA-N 455.542 1.762 30 10 JDEE CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCCC1(C)C 1696828998 BWPWZVZQFNJCCS-JOCHJYFZSA-N 476.603 1.655 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1705531904 AJWYWVCDWACVEF-IAGOWNOFSA-N 451.593 1.945 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1705533395 XDJONNDUNQZVFS-ZWKOTPCHSA-N 475.619 1.983 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705567261 VDNDKPHJDVFVIC-LEWJYISDSA-N 490.651 1.830 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccsc1 1705613368 ZHYSQNNOOYJTLT-APWZRJJASA-N 453.590 1.040 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)N(C)C2CC2)CC1 1705646829 PNIYZZQFDCLOOF-GOSISDBHSA-N 498.653 1.797 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1705725589 JMTOBMPHKHIIOR-SFHVURJKSA-N 483.616 1.227 30 10 JDEE C=CCCOCCn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705832710 FZYGDVUWJDCVIW-VXKWHMMOSA-N 468.620 1.926 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1705932480 UUZJBBFZPKIMGX-UHFFFAOYSA-N 487.674 1.936 30 10 JDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)C[C@H](C)O1 1712303004 CMHOTHSZSGPOJG-SIKLNZKXSA-N 470.574 1.691 30 10 JDEE COCCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1712308178 AFMLEGSAINYHNT-KRWDZBQOSA-N 490.634 1.544 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)CN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1722367698 XGDZONQURIKBAO-GGAORHGYSA-N 499.685 1.164 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCOC[C@H]1C 1722375605 QOCQLPJGJQLJDZ-GOSISDBHSA-N 453.543 1.764 30 10 JDEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1722388355 URFCKQWXCOMMHO-OAQYLSRUSA-N 460.581 1.201 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1722695921 VDPNRLJSIOMHQC-OAQYLSRUSA-N 494.987 1.644 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c(c1)OCCO2 1722867830 IBRXBESZOQRBSZ-JXFKEZNVSA-N 490.586 1.221 30 10 JDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 1726665835 ADZRADFFNDLIHU-WIYYLYMNSA-N 451.575 1.985 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 1740615405 DAJMQKGDFMMCOD-FQEVSTJZSA-N 457.600 1.903 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740624247 GYXWUXNRSWTEQA-KRWDZBQOSA-N 478.644 1.565 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1740629377 LKWZIFPXXYIHTE-QYZOEREBSA-N 470.574 1.514 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1740657490 SSBUIPFJWBUMMV-FQEVSTJZSA-N 463.567 1.785 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCN(C)CCCOC)CC1 1740691776 CZKYOUHTPXDTCP-UHFFFAOYSA-N 454.575 1.440 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(C(=O)N(C)C)CCCC2)CC1 1740700498 BNMCHPOSTBYMFD-UHFFFAOYSA-N 499.660 1.811 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCOC2)CC1 1740703191 JFHJXERHBZPXHW-KRWDZBQOSA-N 471.583 1.351 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1740793988 XNMPEEKPJBNQPO-GCJKJVERSA-N 485.651 1.845 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nc2ccccc2s1 1740951869 PFZBIFHEISTVJV-CYBMUJFWSA-N 463.589 1.437 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1740959820 FNVXFVXKHMDPND-ZIAGYGMSSA-N 453.515 1.958 30 10 JDEE C#CCCCn1c(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)nnc1[C@@]1(OCC)CCOC1 1748763950 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CC(COc1ccc(Cl)cc1Cl)=NNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O 2297638620 CJQACVUJEJELMU-MJXUCMMTSA-N 498.327 1.194 30 10 JDEE NC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2325917897 WLDOEUODEKGFKL-MRXNPFEDSA-N 495.521 1.868 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(NC(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2359271589 RBRSRTSTZQTYMG-PBPSECFOSA-N 459.352 1.935 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@H]1C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2359390636 MMLJMBWKWXGXCH-FGTMMUONSA-N 462.352 1.656 30 10 JDEE Nn1c(N/N=C/c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 20291924 SFFFAOSAPFCWME-DJKKODMXSA-N 457.432 1.985 30 10 JDEE COc1ccc(/C=N/[C@H]2[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H]2OC(C)=O)cc1 22062196 BPVDJXUNJWJXMH-BSDFMBAMSA-N 465.455 1.197 30 10 JDEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C(N)=O)cc1 729672647 ZVKFGAZSHALGDQ-UHFFFAOYSA-N 471.542 1.764 30 10 JDEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)NC[C@H]1CN(CC(C)C)CCO1 730028539 CPMKVOANZNSNCC-AFMDSPMNSA-N 498.580 1.168 30 10 JDEE C#CCN(C(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 918754812 HSZNRKNBHMBXGF-PDANQNNMSA-N 450.582 1.348 30 10 JDEE COc1ccc(C=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(CCO)CC2)cc1OC 1084558019 BUFFBYDHCDCADF-UHFFFAOYSA-N 493.542 1.357 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)CC1 1136632974 VNBSLDONGUGWAL-WMZHIEFXSA-N 458.559 1.000 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1 1137257599 MXWPGVZGNRUKHG-MAUKXSAKSA-N 453.561 1.905 30 10 JDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1C(=O)OC 1185675648 SQKDOBSEVCKLKC-GFCCVEGCSA-N 450.332 1.047 30 10 JDEE C#Cc1cccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 1230087749 XBNDOBBFEUYMLP-UHFFFAOYSA-N 454.508 1.215 30 10 JDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1251555485 QKTMFPXGQIFQAH-SFHVURJKSA-N 467.551 1.168 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1286349676 MCUIFYQTPWWAKT-UFYCRDLUSA-N 494.662 1.546 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1286384454 QXUDKQDHQXTWDN-NRFANRHFSA-N 485.610 1.839 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(O)(CCC)CCC)[C@H]1CCS(=O)(=O)C1 1286391724 FSCVQFQOXLSVGO-ROUUACIJSA-N 486.660 1.138 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1286393263 QIOZQEKCIAIYDU-LJQANCHMSA-N 456.597 1.898 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1286395064 LDERWHVWOWUQIR-QZTJIDSGSA-N 460.531 1.968 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1286399214 BMZZSUONSQGPDT-ROUUACIJSA-N 454.556 1.014 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCN1S(C)(=O)=O 1286403654 KTZSUEYDGFCPSG-LJQANCHMSA-N 463.567 1.832 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCn2cccn2)CC1 1286479082 FDASRFPLPVFNGF-FQEVSTJZSA-N 484.605 1.629 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1scnc1C 1286552704 AFOFKJUWEFPEGP-SCTDSRPQSA-N 496.659 1.994 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(S(C)(=O)=O)CC1 1286554881 ZOBBGTBCIYUXPT-MJGOQNOKSA-N 476.559 1.916 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccnc(SC)c2)C1 1286808660 DGSNBBVCKGIDRN-MSOLQXFVSA-N 494.643 1.558 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCS(=O)(=O)C1 1300298734 HKKAMQDGSZBFIU-HOTGVXAUSA-N 464.617 1.521 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[C@H]2OC)c1 1300331853 SDHZYWDITVEXPO-ILZDJORESA-N 488.614 1.760 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCN2CCOC[C@@H]2C)c1 1300334014 HGMCFWKQXOICBN-ICSRJNTNSA-N 452.559 1.559 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCn2cc(C)cn2)c1 1300334480 NBJRWLJOCFTCGO-IBGZPJMESA-N 481.582 1.442 30 10 JDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1300402857 CPFZNVFNCRUCRK-PMACEKPBSA-N 450.591 1.775 30 10 JDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(CS(C)(=O)=O)CC1 1300464320 AZCBQDULJJSFJT-MRXNPFEDSA-N 467.592 1.481 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300504648 PKLNOKASPAUGNN-MOPGFXCFSA-N 460.604 1.582 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CCS(=O)(=O)CC1 1301351242 NOCZOGXJVMEXCD-GOSISDBHSA-N 477.562 1.501 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1301483132 HTDRLHSUYOSWCE-HXUWFJFHSA-N 461.364 1.972 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ncc(Cc3c(F)cccc3F)s2)CC1 1311001601 DMOWGFQJWWSIRU-UHFFFAOYSA-N 455.512 1.629 30 10 JDEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)CC1 1313998516 AWPVFKRRMBANFR-UHFFFAOYSA-N 463.546 1.556 30 10 JDEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)CCCC1 1315277829 DKHUKJNPRFCNEC-UHFFFAOYSA-N 468.558 1.983 30 10 JDEE C[S@](=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CCC1 1316361094 CGBRFRAMAJPLNJ-PMERELPUSA-N 462.601 1.200 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1358959354 HHAFXKZVXNDEKF-AEFFLSMTSA-N 459.572 1.293 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1358967885 VAWLESDWRFLJOP-LJQANCHMSA-N 497.577 1.944 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C)nc(N2CCCC2)c1 1358969618 SLTJZNFBVXRJLV-GOSISDBHSA-N 455.588 1.313 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358976735 OSJNTNGTHFXRSB-CTNGQTDRSA-N 452.584 1.926 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1358991634 JOCFDENJFZBGJI-UYAOXDASSA-N 453.572 1.402 30 10 JDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1359054144 KZXLPTMSBRERNR-UHFFFAOYSA-N 450.634 1.900 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nccs1 1359099834 TZRXYUZFZFLHPM-JZXOWHBKSA-N 482.632 1.685 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNS(=O)(=O)c2ccccc2)CC1 1359178738 AJKGVWHXEHWJCO-SFHVURJKSA-N 479.628 1.561 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1359228221 WZZVZGCIJNPZAW-MJGOQNOKSA-N 464.592 1.567 30 10 JDEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCS(=O)(=O)C1 1359278808 HTWMIRKOGRNVSK-GOSISDBHSA-N 488.408 1.235 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1359333965 PJLWMDSKWHDHFW-IBGZPJMESA-N 466.007 1.644 30 10 JDEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359337847 CQOBIQNKGCIUKF-UHFFFAOYSA-N 487.586 1.946 30 10 JDEE CC(=O)N[C@H](C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)c1cccc(Br)c1 1435909867 BUBDRRVUJKDCRA-SFHVURJKSA-N 459.348 1.889 30 10 JDEE CCN(CC(=O)Nc1cccc(OC)c1)C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1464067426 AQQBAZJAFHHIFO-HNNXBMFYSA-N 458.540 2.000 30 10 JDEE CNC(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1503807336 BKLXOCSHYVIUBS-UHFFFAOYSA-N 484.362 1.765 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nc(C)c(C)s1 1504887360 BUJRVVCYHUQZMO-MRXNPFEDSA-N 452.606 1.863 30 10 JDEE C#CCCCn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507598092 ARSOKUWZJYNWOC-DEOSSOPVSA-N 458.607 1.477 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCCN(C)S(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1507630190 UREBOWFNPOOEEH-QGZVFWFLSA-N 497.618 1.383 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(F)cccc1F 1507671350 JJENTJMHIXIBNO-HXUWFJFHSA-N 477.537 1.595 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NC(C)(C)C 1507709686 XFSNOQVQFBRZMO-UHFFFAOYSA-N 451.535 1.312 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC(=O)NCC(F)F)CC1 1507731590 MPFLLJFFPCXPSW-UHFFFAOYSA-N 495.575 1.529 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(C(N)=O)cc2)CC1 1507734348 VXTLTAJPTVGILW-UHFFFAOYSA-N 479.585 1.310 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2cccc(C(=O)NC)c2)CC1 1507738738 WZOKPAXQBMOSCS-UHFFFAOYSA-N 472.553 1.303 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1507740940 QYUBIPJHJHLWAY-KBMIEXCESA-N 467.570 1.671 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1508078112 TYVBACKQWQBMRL-CQSZACIVSA-N 461.364 1.985 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1508090236 FFYLFPRSLJXGOJ-UHFFFAOYSA-N 492.584 1.757 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1508090290 GSOFZJNIOAJJCR-IRLDBZIGSA-N 468.602 1.933 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)cc2F)C1 1508122511 DYDPLHMTKCCNFI-QUCCMNQESA-N 495.577 1.588 30 10 JDEE CCOC(=O)N[C@H](CC(C)C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1516060507 FRYXTCJEWAIOFJ-QINHECLXSA-N 470.571 1.783 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCSC2)c1 1539046135 NRDITEKTBJJTRL-QHCPKHFHSA-N 468.583 1.325 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1539200908 SHIUTUFVSRIJEG-OXQOHEQNSA-N 451.618 1.427 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CC(=O)N1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1539203125 NXHBBMMWYQUFNZ-NRFANRHFSA-N 484.626 1.377 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCOCC(C)C)[C@H]1CCS(=O)(=O)C1 1539215798 JIDHSNUJMWRBIT-KRWDZBQOSA-N 477.587 1.695 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1539231299 UTHGVRCUPQRTNI-LJQANCHMSA-N 454.556 1.574 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC2CCCC2)CC1 1539452296 OCZSPFONBSTDBM-HXUWFJFHSA-N 464.636 1.337 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1539496467 GESXIKCUUWUOOG-YESZJQIVSA-N 498.675 1.558 30 10 JDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](C(=O)NC)C1 1539509979 CANFHAQLDFAZTQ-INIZCTEOSA-N 475.644 1.567 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(SC)c1 1539557499 VQEJXDASHVZCQV-DYESRHJHSA-N 476.628 1.768 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2ccccc2)CC1 1539730028 NOEZZJVSLPYMGK-SFHVURJKSA-N 463.604 1.969 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1c2ccccc2C[C@@H]1C 1540071980 IZFLQBRTVCOUHZ-FXAWDEMLSA-N 460.604 1.684 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2nccnc2C)CC1 1540866066 BMVACJZYRRXHDC-UHFFFAOYSA-N 478.557 1.690 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1540900440 VVAPZFJZCJNEMI-MSOLQXFVSA-N 489.598 1.811 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C2CCOCC2)C1 1540907118 LVOMJXUMKMIQJY-GOSISDBHSA-N 451.593 1.254 30 10 JDEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccn(C)n2)CC1 1547474761 CZMLDYUHERGFJB-UHFFFAOYSA-N 475.601 1.783 30 10 JDEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)CN1CCCC1=O)CC2 1548377971 IDEROWQVWWGELP-LJQANCHMSA-N 491.514 1.990 30 10 JDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCC(O)CC2)cc1 1554978667 CLNOCVMGCUZEGL-OAQYLSRUSA-N 456.547 1.441 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCCc2cnn(C)c2)c1 1587696936 CXYABAMIAYIYHI-UHFFFAOYSA-N 474.569 1.823 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@H]2CCCS(=O)(=O)C2)c1 1587697810 YDBDOWJTALGZTJ-GOSISDBHSA-N 459.572 1.696 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCC)c1 1588229290 SPNKXKUYZCVYOI-FQEVSTJZSA-N 453.568 1.441 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(=O)N2CCOCC2)CC1 1588864992 OJSBGQMTUQMRIC-UHFFFAOYSA-N 452.559 1.088 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)C2CC2)CC1 1588891748 STBADWOQWWSLPJ-DNQXCXABSA-N 459.591 1.446 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(F)(F)F)C1 1589547590 VDUSCHALKFKGCU-WCVJEAGWSA-N 464.510 1.929 30 10 JDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1594824545 KWFWTDVUCVFZOY-UHFFFAOYSA-N 487.586 1.383 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1595467428 UCUKPAAZMXVLLN-UHFFFAOYSA-N 462.558 1.010 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C(N)=O)C1 1595761263 YVUMGNQPBJFSMZ-GJZGRUSLSA-N 451.524 1.470 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1595765841 HNGDSFYAYIAOLR-CQSZACIVSA-N 482.404 1.975 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCNC(=O)CC1 1595766080 LSNMLENRJRLFMR-UHFFFAOYSA-N 454.556 1.729 30 10 JDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1611286336 FBPKTPXQTJPIKQ-SQNIBIBYSA-N 457.558 1.599 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1611684079 GFEJWBRDXZXSJL-GDBMZVCRSA-N 477.557 1.903 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c23)CC1 1636475478 KHSJEKFDBUFTQE-UHFFFAOYSA-N 459.572 1.914 30 10 JDEE C=CCCC[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)C(=O)OC 1638401744 VRAUFYPTNFGSDB-RDJZCZTQSA-N 450.513 1.638 30 10 JDEE CCc1cc2c(=O)n(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ccc2o1 1652048217 CZJKQJWOFHJJRX-UHFFFAOYSA-N 454.508 1.562 30 10 JDEE C=C[C@@H]1CCCCN1CC(=O)N(CCCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1658479457 MPMOHMQSEYPTFQ-LJQANCHMSA-N 455.559 1.989 30 10 JDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 1659673620 WQGNJUVUSQQLJL-RTBURBONSA-N 456.586 1.793 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(OC)cc1 1689853865 ZOJGETKRWNVMLL-QFBILLFUSA-N 463.560 1.157 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)[C@H](C)CC)c1 1689871964 JWNDDWQIRKICDH-UYAOXDASSA-N 486.642 1.967 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1689875193 MEVFPGVAGLJGHZ-SJORKVTESA-N 452.625 1.823 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1689910727 OSCYSZHAPSXFDW-QFIPXVFZSA-N 450.503 1.153 30 10 JDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1689945435 DZHMYSYVZQWQOX-SECBINFHSA-N 453.878 1.412 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCNC(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1689989829 JBXQHSBNXZEJQB-NHCUHLMSSA-N 485.610 1.537 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689993858 MTMAOHRQBDYDHR-UXHICEINSA-N 470.599 1.814 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689996748 NMLGLTVKPKUNSJ-QGZVFWFLSA-N 477.562 1.491 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)NCC)CC1 1690500117 LOHKKTXZYAAPNW-UHFFFAOYSA-N 476.603 1.793 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC(C)(C)[C@H]1C 1690672217 LQGLYCZZRDANTK-IAGOWNOFSA-N 478.594 1.892 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1690672765 CGIYUOZQHABCOT-KRWDZBQOSA-N 452.519 1.650 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1690677803 AWBLBVUPKCOTBG-WIYYLYMNSA-N 498.632 1.933 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1690724631 SOTRVDPHPAOUOX-QFIPXVFZSA-N 484.626 1.967 30 10 JDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1 1690816369 FTJMQZWRLAQBIE-UHFFFAOYSA-N 451.531 1.124 30 10 JDEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1692597751 DMYQPGVHBPVMFZ-WOJBJXKFSA-N 465.558 1.891 30 10 JDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CC1 1694224964 GDYKAFMNZJSWAZ-SFHVURJKSA-N 478.601 1.380 30 10 JDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)COC)CC1 1697926086 GUIMJKKKANTFHE-QHCPKHFHSA-N 456.547 1.336 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCS(=O)(=O)C1 1705552426 KTMUEDPYGQTLEE-DLBZAZTESA-N 451.593 1.897 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1705561582 RMGNCNIJIAYCDD-QZTJIDSGSA-N 472.546 1.946 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1705567403 VYDZFECTKTVERJ-OALUTQOASA-N 492.623 1.273 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1(C(=O)NCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1705569475 DBKKQGBFBQGRTM-HXUWFJFHSA-N 499.637 1.811 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCSCC1 1705623576 XCIUHPJHORACFE-UHFFFAOYSA-N 463.629 1.483 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccoc2)CC1 1705646543 HNCNXRBBLJIYJT-UHFFFAOYSA-N 496.593 1.803 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1705650108 MQXZURBHWFEZLE-XMMPIXPASA-N 468.989 1.966 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc(Cl)cn1 1705716684 RXNYGRDKNNNSCN-INIZCTEOSA-N 457.988 1.564 30 10 JDEE C=C(C)COCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705731011 QPQSXYGHAUEBMM-SJLPKXTDSA-N 472.521 1.297 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C(=O)OC)C1 1705936728 XEEGDEFPWPRBOE-CRAIPNDOSA-N 462.528 1.391 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1705936903 AQDUXMWXYSPQHY-SFHVURJKSA-N 461.588 1.639 30 10 JDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1709902239 HMHSLWFXWJFZSR-UHFFFAOYSA-N 452.563 1.925 30 10 JDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1709937835 ATAXFOJHBXRNOQ-LJQANCHMSA-N 460.629 1.879 30 10 JDEE CN(C)c1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)c1 1711005589 CCUNKRCRBDUZTN-OAQYLSRUSA-N 487.630 1.855 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC(=O)N2CCOCC2)c1 1722307283 KZMZMLOBFABZNR-UHFFFAOYSA-N 473.537 1.179 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1722332787 ORKMREWYGZYJII-RTWAWAEBSA-N 487.626 1.156 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cn(CCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1722366558 HWIKKHFFLSVRRF-OALUTQOASA-N 473.603 1.209 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 1722367089 UYZMPRWDCNLQHA-FXAWDEMLSA-N 450.586 1.667 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)NC(=O)OC(C)(C)C 1722373542 ONYMQOFCEKGJNX-OAHLLOKOSA-N 452.581 1.264 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1c2ccccc2C[C@H]1C 1722413755 RDOIFQMRKRLBNS-WIYYLYMNSA-N 472.615 1.522 30 10 JDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1CC1CCS(=O)(=O)CC1 1722427567 PQFKDJKLYKKHAF-UHFFFAOYSA-N 465.601 1.180 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCN(CC)CC3)nc2)CC1 1722444772 NTKYNHMLMDNNRL-UHFFFAOYSA-N 478.645 1.953 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1722446349 SSKYYHQMPVHWAT-UUWRZZSWSA-N 477.594 1.628 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)[C@@H](C)CC)CC1 1722449388 IVZAZCPDJXCVTK-XDHUDOTRSA-N 455.607 1.903 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1722527776 ADBYMBCQBNLPLK-XMSQKQJNSA-N 463.604 1.887 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(F)ccc1N1CCOCC1 1722679959 RAILKLHRJMPJPS-IBGZPJMESA-N 458.538 1.892 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1722691008 NWBGGIGPQKMRSQ-GOSISDBHSA-N 483.964 1.597 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1722691884 BJGKQWWKWISJNM-OAHLLOKOSA-N 488.980 1.622 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3nc(C)cc(C)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722703882 KIXCMNHXABSPFD-DEOSSOPVSA-N 484.605 1.354 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1722726809 FONBMOGXCGGRBE-FQEVSTJZSA-N 450.565 1.054 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCC(CCC(N)=O)CC3)n2CC(=O)NCC(F)(F)F)cc1 1731181903 DTLZYUBJHPCQGP-UHFFFAOYSA-N 493.490 1.889 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)Cc1ccccc1 1740548365 ALRBIIUVBZHMGG-ZJOUEHCJSA-N 474.631 1.589 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(F)c1 1740553687 UBSHWWMIWJWNDY-KDOFPFPSSA-N 451.524 1.265 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCS(=O)(=O)N(C)C)c1 1740565402 UUASNLPSAKTSMO-UHFFFAOYSA-N 498.613 1.087 30 10 JDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1740587201 AZCZMJXMCNFBNW-UXHICEINSA-N 450.591 1.965 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Cl)c(OC)c(OC)c1 1740610914 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C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1740963498 MOHHSQZJMPDTMU-LJQANCHMSA-N 488.614 1.472 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1740994643 RDUXIHYVRUEPDD-UHFFFAOYSA-N 471.587 1.412 30 10 JDEE COc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc(OC)c1OC 1748541184 HWYCGIIUMSOEJS-QVKFZJNVSA-N 479.534 1.696 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1OC 1748671869 NTLWRGMNDZEQTK-KSSFIOAISA-N 467.979 1.779 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1748820116 ZKCOUOCTQVZQMS-INIZCTEOSA-N 485.944 1.530 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C(CC)CC)N1CCOCC1 1748846707 KEARRNXKEGMCEA-SFTDATJTSA-N 461.632 1.390 30 10 JDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCC(F)(F)F 1748912316 BXZJSCHEHWTHCN-UHFFFAOYSA-N 471.509 1.685 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2c(C)coc2C)n1 1748971617 WYFVWAMORXCRFT-HXUWFJFHSA-N 451.531 1.970 30 10 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450.481 1.285 30 10 JDEE C#CCN(C(=O)Cn1cc(S(N)(=O)=O)cn1)[C@H]1CCOc2ccc(Br)cc21 1136805041 RKEFBCOLAMFVAM-HNNXBMFYSA-N 453.318 1.279 30 10 JDEE C#CCN(CC(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1)C(=O)OC(C)(C)C 1141935012 HJDBLWNMPWLVBY-UHFFFAOYSA-N 458.559 1.834 30 10 JDEE C#CC[C@@H](NC(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)C(=O)OC 1141995290 MGVAKLRXNNOZEX-DOTOQJQBSA-N 458.540 1.226 30 10 JDEE C#CCCCn1c(C(C)C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1286338126 GPYUOTNQGWNDHW-ZACQAIPSSA-N 451.593 1.941 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CCCO2)CC1 1286350180 WVPQIGGEOZWKFP-OALUTQOASA-N 451.593 1.420 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1286394745 KEKXERIJUDTRBF-MSOLQXFVSA-N 487.582 1.161 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCN2C 1286467169 MSOQZWQIVPRSCW-HXUWFJFHSA-N 457.600 1.697 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)OC)CC1 1286553668 FMDAXXCFVMBNIY-BZSNNMDCSA-N 452.577 1.551 30 10 JDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286665730 CXDHNFBJWNMWRW-INIZCTEOSA-N 455.567 1.648 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccco1)C1CC1 1286736146 BACJNYDOJDCHSZ-UZLBHIALSA-N 451.549 1.267 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1C[C@@H](C)O[C@H](C)C1 1286773714 QPKKIDRDWKYSGC-LMMKCTJWSA-N 471.624 1.453 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 1286776169 GSHLCVMUOMQORM-WOJBJXKFSA-N 461.588 1.983 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2nccc(OCC)n2)CC1 1286789045 NUWPDUSOWPSPPO-UHFFFAOYSA-N 480.548 1.826 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1286817974 ZXXAQMSJYROVES-UHFFFAOYSA-N 465.539 1.074 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1286821652 RJHWXNYWBLQOHT-OALUTQOASA-N 461.563 1.856 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc[nH]2)n1CCNC(=O)C(C)(C)C 1291194807 DYHARTPXYKQERS-MRXNPFEDSA-N 462.562 1.812 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccccn2)n1CCC(=O)N(C)C 1291194811 DZJNZIPXDNAFOQ-QGZVFWFLSA-N 460.546 1.119 30 10 JDEE C[C@@H]1COCCN1CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1291309457 HCMTZYWNENVWFF-QRVBRYPASA-N 475.594 1.800 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1297777657 ANXMBPFFVMVZPP-LJQANCHMSA-N 452.512 1.344 30 10 JDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1300371952 LDIGPIIIDYNVPQ-UHFFFAOYSA-N 469.634 1.729 30 10 JDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1300429029 YIBPNGFBWBKMNO-HKBOAZHASA-N 458.607 1.548 30 10 JDEE C#CCN(c1nnc(CC)n1CC1(N2CCSCC2)CCCC1)[C@@H]1CCS(=O)(=O)C1 1300498956 OJDZUJNNIHTUAB-GOSISDBHSA-N 451.662 1.829 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1300501829 NTXZJABLVNLSHU-OALUTQOASA-N 463.604 1.377 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1300503104 ZXOHBZJYVVWQNO-FQEVSTJZSA-N 498.634 1.668 30 10 JDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(C)=O)CC1 1300762437 PNTIWNQVSDMURZ-UHFFFAOYSA-N 454.604 1.487 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCC2=O)CC1 1300877537 YKODBLOEASHXMT-HLIPFELVSA-N 480.635 1.461 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)NCC)CC1 1300888746 LWKMTSQJGUOGLG-AUSIDOKSSA-N 453.591 1.503 30 10 JDEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1301216718 PZMMLUPPMUOFHI-IBGZPJMESA-N 465.558 1.982 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1301520866 RKBBHAXJRCZIJX-ILZDJORESA-N 458.607 1.994 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1301594598 HJEPLEIWZIITML-UHFFFAOYSA-N 465.605 1.316 30 10 JDEE CS(=O)(=O)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C#N)C1 1316348411 AQYNWHNMHJEXOD-CYBMUJFWSA-N 460.343 1.937 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCN1CCOCC1 1358895926 UEWGJTFMTJIEPK-HSZRJFAPSA-N 465.646 1.823 30 10 JDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1358904114 VLXGUEXKGHEBHZ-OYRHEFFESA-N 471.650 1.846 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358961743 DNYBRXKHECSQFV-NHCUHLMSSA-N 490.674 1.505 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC(F)(F)F)cc1 1358969441 PHVKVQDHYQDCMX-OAHLLOKOSA-N 469.489 1.951 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCNS(=O)(=O)c2ccccc2)CC1 1359043689 DSDVFNDFXZFQIK-UHFFFAOYSA-N 493.593 1.284 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCNC(=O)Cc1cccc(F)c1 1359073489 RNKVMAOBUQLHNF-XMMPIXPASA-N 452.534 1.891 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1359082573 MWSVVJIGAFWSFG-XOKHGSTOSA-N 480.411 1.127 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cnn(C)c1 1359090385 AGMIUINBKHAXGG-NBMJBFSESA-N 463.608 1.945 30 10 JDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1359126368 NMNPXSNOAQMKEH-QGZVFWFLSA-N 458.567 1.407 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2F)CC1 1359127410 PQSVVPIZFDCGKN-INIZCTEOSA-N 467.571 1.342 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1359150690 DODFWDZLPUWDSY-CYJAXWMASA-N 475.999 1.136 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC1 1359277050 ASCXZFQUHTUIAM-PKOBYXMFSA-N 465.576 1.476 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1359296375 HJIINKSQDZDTGX-PGRDOPGGSA-N 481.601 1.245 30 10 JDEE COc1ccccc1CCNC(=O)CNS(=O)(=O)c1ccc(Br)c(C#N)c1 1463624376 HZFUAKYTFAMXJH-UHFFFAOYSA-N 452.330 1.967 30 10 JDEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)n[nH]1 1492691367 GZJJCZHXPLXRIT-UHFFFAOYSA-N 451.535 1.166 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC2([S@](C)=O)CCC2)c1 1507549344 ZMIJLMAIRYNAEB-XIFFEERXSA-N 470.599 1.774 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCCCC2=O)c1 1507549836 ABNNFHLRTYPTHQ-FQEVSTJZSA-N 477.569 1.688 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCCN2CCOC2=O)c1 1507550148 UYQVXVXNXOJGCM-UHFFFAOYSA-N 460.498 1.634 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cnn(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1507632261 KGZDGWWUZVTMAR-RTBURBONSA-N 473.603 1.065 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1507635538 WXMPWEMVABAYLO-KRWDZBQOSA-N 495.621 1.823 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)N(C)C 1507710671 SXUAQHVKDXBIOC-UHFFFAOYSA-N 451.531 1.239 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1507722623 CBDQSMOHYZNFKI-LJQANCHMSA-N 482.585 1.212 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1507731186 CNOBMDLMKJMMDJ-HBMCJLEFSA-N 462.664 1.303 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2CCC(O)CC2)CC1 1507742310 GQSRFSKBCROLNL-UHFFFAOYSA-N 482.604 1.821 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1507760027 RRUBCPCHBMDPML-ZCNNSNEGSA-N 476.647 1.951 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)c2ccco2)CC1 1507934012 CIGZDEMNCZYHKI-IBGZPJMESA-N 492.602 1.523 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3cccc(OC)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1508098899 SWUNRBRUCAOLFB-RUZDIDTESA-N 484.601 1.956 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(O)CCOC2)C1 1508108759 IMNCRNYJEKFENL-PGRDOPGGSA-N 461.950 1.794 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1508133008 BEZKBHRODGDXJC-IRLDBZIGSA-N 484.626 1.965 30 10 JDEE C[C@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1510103835 BDCZTEYLELXWHZ-WIYYLYMNSA-N 472.615 1.798 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCc1ccccn1 1510226589 DZLXLWHKKWFEJW-UTKZUKDTSA-N 481.582 1.976 30 10 JDEE CCOC1CC(O)(Cn2c(C(=O)NC(CC)CC)nnc2N2CCN(c3cc(C#N)ccn3)CC2)C1 1516384204 BAIYZGAWZGDIKG-UHFFFAOYSA-N 496.616 1.720 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCS(=O)(=O)CC1 1539012753 KMRKBEZWAJJABJ-QGZVFWFLSA-N 457.604 1.735 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCCS(C)(=O)=O)c1 1539039788 HYCAYWWWWKJXHY-UHFFFAOYSA-N 452.540 1.831 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1539093582 AHVVFLUUIHZBQD-CABCVRRESA-N 451.553 1.386 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539200588 LGEXVSNZMBTYTI-QFIPXVFZSA-N 498.653 1.663 30 10 JDEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1539210141 AZISOSYKEBXLIL-SFHVURJKSA-N 466.567 1.598 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C1CC(C(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1539220723 LATJOIXZDHYINH-RZZCCWGQSA-N 468.645 1.804 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1539221467 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C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2ccnn2C)C1 1593696790 YIHMYFPZOXLGBI-IAGOWNOFSA-N 451.597 1.599 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)F)C1 1593746525 HSNMOLIQEJLCTG-CVEARBPZSA-N 463.551 1.685 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNS(=O)(=O)c1ccc(C)s1 1594963632 VWGMEQUZTXXAJH-CQSZACIVSA-N 459.619 1.151 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1)C(C)C 1595170434 CJIHOPJBDOAPPP-FCHUYYIVSA-N 492.690 1.937 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1595506728 KWAAVRGESMQEJE-UHFFFAOYSA-N 452.968 1.699 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CC)CCC2)C1 1595730921 ZVPOVBBUPXGDBM-QZTJIDSGSA-N 453.609 1.973 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(=O)NC(C)(C)C 1595773040 NJBZRRJBGKTUKE-UHFFFAOYSA-N 454.984 1.945 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)OCC)CC1 1595811992 JSIWHCATJLFODV-UHFFFAOYSA-N 477.587 1.757 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1595823247 MLUUQFHUALRGJW-GOSISDBHSA-N 459.572 1.577 30 10 JDEE CN(C)CC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1617682150 AMYUKVMULXDMLC-IBGZPJMESA-N 486.646 1.361 30 10 JDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 1630054084 OTFCFAATHVWYSU-SFHVURJKSA-N 450.561 1.289 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)CN1CCOCC1 1649540222 UWFMQGJQBAPPGC-QZTJIDSGSA-N 473.647 1.973 30 10 JDEE Cc1ccc(S(=O)(=O)NCCN2CCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)cc1 1657625133 HBKGTBCYHJLIAH-UHFFFAOYSA-N 455.584 1.791 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2snnc2C)c1 1689868857 SKGXNJXANMMDSY-UHFFFAOYSA-N 452.544 1.681 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1689910572 KHOLLSIUUJUSDL-HXUWFJFHSA-N 450.591 1.944 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1689979966 JVBQEFQRYRUVJJ-RDJZCZTQSA-N 473.534 1.361 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1689982177 JANODJYCDSFFFZ-FQEVSTJZSA-N 499.618 1.613 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689982883 WOACSDVHXWNMEG-AUSIDOKSSA-N 496.630 1.000 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1689988081 IRIONDDLESRHDF-VFNWGFHPSA-N 463.560 1.184 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(N(C)C)CCOCC2)CC1 1690114660 CDETVJWARHQWMY-UHFFFAOYSA-N 498.628 1.837 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](CC)OC)CC1 1690114926 LTEWZBKDGFDWHJ-LJQANCHMSA-N 460.604 1.376 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1690132563 SRMGERDRDGZVEM-IRLDBZIGSA-N 450.543 1.535 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2c(CC)nn(C)c2CC)CC1 1690142439 ODPOCNPCOQEBBG-UHFFFAOYSA-N 461.574 1.608 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1690144149 NMTQOEVPGHMSGQ-MRXNPFEDSA-N 476.507 1.585 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1690236743 QOUMXQSWCBJVOJ-QUCCMNQESA-N 477.635 1.936 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(=O)N(C)C)CCCC1 1690264834 FDKCWRPDGALOIT-GOSISDBHSA-N 482.651 1.662 30 10 JDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1690284595 KJNQORDQSVCASA-GOSISDBHSA-N 478.601 1.805 30 10 JDEE C=CCCCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1690456587 IPBDUTQCHZLBFI-UHFFFAOYSA-N 482.585 1.817 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC(=O)N2CCOCC2)cc1 1690680627 XBVCSDPUUBARHR-IBGZPJMESA-N 489.598 1.088 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690682604 UCBXCQKOXMXXRC-ROUUACIJSA-N 459.572 1.856 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C(F)(F)F)C1 1690723538 VGNNCHFQPROQPT-CQSZACIVSA-N 477.465 1.374 30 10 JDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1690740388 SUVMRALROYKDKM-KRWDZBQOSA-N 479.632 1.285 30 10 JDEE Cc1ccc(C(=O)NCCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)cc1F 1693010142 CEAOAMFKEUTORX-GJZGRUSLSA-N 465.555 1.504 30 10 JDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CN(CC(C)C)CCO1 1696331337 FHUTYRFVTOSNEO-OAQYLSRUSA-N 468.606 1.765 30 10 JDEE CNC(=O)C(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1696893163 FPPQGICBCZSZGD-UHFFFAOYSA-N 450.551 1.286 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCO2)c1 1705503751 DBTOKLVRHMTHQR-MAUKXSAKSA-N 460.560 1.124 30 10 JDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1705542379 FFRHHVIDHURQIW-MBSDFSHPSA-N 454.579 1.889 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705558551 AVMYACXOAQJDSK-IAGOWNOFSA-N 496.634 1.204 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705562214 YVSBIESEGWQURM-URFJDIBFSA-N 480.631 1.761 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1705567426 WDTQIKLHDUWIHX-KSSFIOAISA-N 479.509 1.213 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1705568301 KHTQWEYVJUQJEH-INIZCTEOSA-N 463.535 1.101 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 1705628543 KEVPURWVXWVZKG-HOTGVXAUSA-N 463.526 1.150 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCC3(C2)OCCO3)CC1 1705645587 YELVOFHPNNWWHQ-RBUKOAKNSA-N 475.590 1.511 30 10 JDEE C#CCSCCn1c(N2CCN(C(=O)N(CC)CC)CC2)nnc1[C@@]1(OCC)CCOC1 1705664819 CAYARDZXAVSKQJ-JOCHJYFZSA-N 464.636 1.880 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1705725520 FWGYOCXKPYUFEA-LJQANCHMSA-N 474.587 1.349 30 10 JDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705831971 JLOWNYHJXVFJNV-UHFFFAOYSA-N 453.547 1.351 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CN1CCCC1)C1CC1 1705854811 OPKTZBIAMZTPSI-IEBWSBKVSA-N 452.625 1.498 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC(=O)NC(C)(C)C 1705894645 GOMHHDGCQFBKIR-UHFFFAOYSA-N 455.563 1.800 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c(CC)nn(C)c2CC)C1 1705924886 HBRFAGSNXXDDAF-SJORKVTESA-N 462.620 1.868 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1705932436 DLDIVHNKUFYKDZ-KDURUIRLSA-N 464.544 1.515 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(OC)c2)CC1 1705936213 LUTDIWGOLPJWSZ-SFHVURJKSA-N 461.588 1.718 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCN2CCCCC2)c1 1722307228 KGWARWUGLOZKIK-UHFFFAOYSA-N 463.586 1.943 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1722359242 RDJZBQSAPHTTAJ-INIZCTEOSA-N 460.560 1.048 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cnn(-c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 1722360140 ZGXAMYMMZYWVCY-FQEVSTJZSA-N 481.582 1.277 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(=O)NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 1722362794 WLDPCLPGLMSUCA-QGZVFWFLSA-N 468.539 1.185 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1722363001 YHHPTQTVJIFTCD-HRAATJIYSA-N 459.597 1.880 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1722366120 PWGSXJULVHVBEW-GOSISDBHSA-N 485.639 1.770 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1722369753 GCZHPVZSAAGFIN-ONTIZHBOSA-N 488.610 1.880 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1722371871 MIRFJZTXPOITLT-QGZVFWFLSA-N 490.655 1.381 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(N(C)C)CCSC1 1722375917 UVBLGAXTRBDRGY-QFIPXVFZSA-N 457.625 1.859 30 10 JDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)c1cc[nH]n1 1722402186 IZHQXZZDOSVHLD-UHFFFAOYSA-N 454.922 1.474 30 10 JDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)CN1CCOCC1 1722411682 MWILYMSKKXNSLH-HXUWFJFHSA-N 452.607 1.880 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1(C)C 1722427468 VNYGDGNPEPRYNL-SJORKVTESA-N 471.649 1.229 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1722442652 XRLZBJYFTHLSDH-FQEVSTJZSA-N 461.563 1.719 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722509786 QYDJGTUKWJJQFD-FXAWDEMLSA-N 457.583 1.183 30 10 JDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722536084 QWPNYWGRDGGDKK-NRFANRHFSA-N 479.628 1.877 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](NC(C)=O)C1 1722701515 SBQGJNJLLCFQEJ-JOCHJYFZSA-N 494.644 1.050 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1722729769 WUAWIFRMYLPCFN-VQTJNVASSA-N 464.563 1.993 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1722745840 GWUHRFKLFYBKTP-UHFFFAOYSA-N 465.558 1.546 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCN2CCCS2(=O)=O)c1 1740564848 ZMDYKWCDNQOXDS-UHFFFAOYSA-N 493.593 1.356 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CC1(N(C)C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1740621829 ZMXXGHCIRMJROW-FQEVSTJZSA-N 457.600 1.683 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1740624286 HUAOBVCHUFDQFX-VQTJNVASSA-N 476.647 1.148 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)N1CCOCC1 1740653634 SCNCTYUABLGQRA-UHFFFAOYSA-N 487.564 1.387 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)COC)CC1 1740702913 BAHDTXULIYMVLO-QGZVFWFLSA-N 473.599 1.597 30 10 JDEE C#CCSCCn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1740722118 ABARRGIQFBRXGA-GHTZIAJQSA-N 483.660 1.301 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1740726748 MVFMVRWTMQTGDJ-FDDCHVKYSA-N 499.597 1.176 30 10 JDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1740792333 WVZQYHLPILKPDQ-UHFFFAOYSA-N 489.577 1.921 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)Cc1cccc(C(N)=O)c1 1740990439 UXNDIRULYBVVME-UHFFFAOYSA-N 454.556 1.985 30 10 JDEE CCC(CC)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)OC 1743974049 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1749067445 UFGPVRUOMVPGEB-PGRDOPGGSA-N 478.619 1.052 30 10 JDEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC(N)=O 1749229741 PEMOHTLDXADQIH-IAGOWNOFSA-N 466.583 1.879 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1(O)CCOCC1 1749591477 RYCIQSSTKHKXMM-GOSISDBHSA-N 464.588 1.940 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1749650027 HFWZIPJHMYYSGF-LJQANCHMSA-N 451.575 1.527 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(F)(F)F)CC1 1749721162 BOTXSMCDLABSTO-LBPRGKRZSA-N 473.543 1.268 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1749721272 FJCUDFHIDXSKIN-UHFFFAOYSA-N 493.659 1.515 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2ccsc2)CC1 1749729235 FGWJSXZEXDPLDJ-UHFFFAOYSA-N 474.612 1.908 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(C3CCCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1749740749 YJJWPAKQANZZLG-QHCPKHFHSA-N 481.663 1.986 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 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C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(CS(C)(=O)=O)c2)C1 1705922732 RIYKLBZZUYSLPV-RTBURBONSA-N 459.572 1.603 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705938833 KUOJAVJLGWJJEZ-ZACQAIPSSA-N 496.634 1.317 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722362067 RMJRFKDYGVWMGJ-RTBURBONSA-N 457.604 1.626 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722363452 UCTKMKQHNKDKPL-RTWAWAEBSA-N 452.584 1.784 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCc2csc(C)n2)CC1 1722433855 IHVOCSMUNBNTJE-UHFFFAOYSA-N 499.666 1.958 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCOCCCO)CC1 1722445077 LBFHAVQTTBSLAA-UHFFFAOYSA-N 462.554 1.858 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1722692509 ONCFGCZRCBGULI-IBGZPJMESA-N 480.573 1.490 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1722695233 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1730995922 BSUFCGPNLOVVPF-SFHVURJKSA-N 468.539 1.853 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCN2S(C)(=O)=O)c1 1740563672 WXMWXGINEKBTLS-HXUWFJFHSA-N 496.597 1.159 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1740574442 LGGZDOHATCIPAS-GOSISDBHSA-N 473.603 1.499 30 10 JDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1740612806 JDKUUCLARHBUKR-HXUWFJFHSA-N 464.595 1.954 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740615332 BENHGKNOPVTAJF-IAGOWNOFSA-N 496.634 1.346 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1740657802 YRIBVTWHTXCVEG-SLFFLAALSA-N 461.632 1.531 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC(=O)NC)CC1 1740702308 LBBGLRXHRZHUSY-INIZCTEOSA-N 456.522 1.659 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1740782874 WFVLANMNXDRURD-SJORKVTESA-N 494.584 1.898 30 10 JDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740817672 PBYVJKKLADAJIC-KNTRFNDTSA-N 467.014 1.743 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccnc(C(C)(C)C)n1 1740899611 FHDKQALLWNEYQA-GOSISDBHSA-N 477.635 1.954 30 10 JDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1741702622 CESMYZAZYQPIGF-SFHVURJKSA-N 451.531 1.454 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCn2cncn2)c1 1747600850 HVBDGJSOYKFSOV-NRFANRHFSA-N 469.575 1.617 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CC(=O)N(CCOC)C1 1748788603 RMGPNWBRZJZKHY-RBUKOAKNSA-N 474.606 1.957 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748820071 YMHOVMJTDTXNGG-LJQANCHMSA-N 490.655 1.663 30 10 JDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1748821436 QLKWJAYCIBYCEF-FQEVSTJZSA-N 482.610 1.776 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1748825200 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C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(NC(C)=O)c2)CC1 1760270416 XDDKGUXJQIXBRD-HXUWFJFHSA-N 498.609 1.153 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2csc(C)n2)CC1 1760366468 AICVQEKAPRFGPB-ZDUSSCGKSA-N 460.029 1.728 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccsc1)N(C)C 1760464796 PHKYHAMGQNHEEU-SJORKVTESA-N 454.622 1.598 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@](C)(OC)C1 1760515988 UMYYZVDVVSLNAV-JOCHJYFZSA-N 475.619 1.854 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1760522052 KRVBRYHJOPGFAZ-MAUKXSAKSA-N 457.510 1.624 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCC2)CC1 1760522545 WDTKXRRXNMEOJG-LJQANCHMSA-N 489.621 1.563 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](C(=O)NC)C1 1760528064 RAMYPWAIPGNRLL-INIZCTEOSA-N 458.588 1.844 30 10 JDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1760551210 XHYDKVHVTFDWFE-MJGOQNOKSA-N 452.625 1.004 30 10 JDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(OCC)c(OC)c1 1865730221 YRDDOSJIQHFGKA-SFHVURJKSA-N 482.537 1.387 30 10 JDEE C=CCN(CC=C)c1nc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)n([C@@H]2CCS(=O)(=O)C2)n1 1870004498 BRCSQRIDQMGYAY-HZPDHXFCSA-N 464.592 1.402 30 10 JDEE CN(CCO)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCc1ccc(S(N)(=O)=O)cc1 1870350382 CZUNOWMXWBTEFB-UHFFFAOYSA-N 496.589 1.613 30 10 JDEE CCN(CC)C(=O)CSc1nnc(COC)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874499697 XGIBGXUQVHCRKQ-KEBDBYFISA-N 464.504 1.947 30 10 JDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC[C@H](C(=O)N3CCOCC3)C2)[C@@H]1c1ccc(C#N)cc1 1890705901 WQMPCFUDDVFHOF-BVSLBCMMSA-N 470.595 1.659 30 10 JDEE C#CCCS(=O)(=O)Nc1c(I)ncnc1I 1983726938 MGXWVUSYYKJTMX-UHFFFAOYSA-N 463.038 1.451 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256676259 WHJSIISDEYUFPJ-NWDGAFQWSA-N 454.358 1.270 30 10 JDEE CN(CCNC(=O)OC(C)(C)C)CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256680353 VJPPUQQCLHDWJI-UHFFFAOYSA-N 454.402 1.515 30 10 JDEE CN(CCOCCN(C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267093359 SYEZDGIIZDFGGR-UHFFFAOYSA-N 452.361 1.664 30 10 JDEE CC(C)(C)OC(=O)NCCO[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267140841 SUEOMWPYCOXPBX-CQSZACIVSA-N 450.345 1.465 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1 2267471262 GHVRASQDNKQNOQ-AWEZNQCLSA-N 470.401 1.397 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)[C@H]2C1 2267534797 NGDLSHFLCAFPIA-SNPRPXQTSA-N 465.381 1.806 30 10 JDEE CC(C)(C)OC(=O)N1CCC(O)(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2268718379 QSFUIZPKRGKCIG-UHFFFAOYSA-N 467.397 1.821 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@@](C)(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2281991914 HGNZGOUMGTXFMG-QFIPXVFZSA-N 464.372 1.712 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282182387 ROGZMMSCCIHHMD-ZWKOTPCHSA-N 459.352 1.841 30 10 JDEE CN(Cc1ccccc1)[C@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C1CC1 2282352040 JHTIDHYVPRSVKS-HXUWFJFHSA-N 474.436 1.908 30 10 JDEE C[C@H]1C[C@@H](CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN1C(=O)OC(C)(C)C 2282859066 HNJGAAAHJYGUAA-KBPBESRZSA-N 485.416 1.038 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H]2C(CNS(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)[C@@H]2C1 2282868945 VGWSGLJJGQZIDF-ROUUACIJSA-N 479.408 1.772 30 10 JDEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)COC1(C)C 2283059531 IPMZCRWSIBCJRY-CQSZACIVSA-N 462.356 1.878 30 10 JDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NCC(=O)N3CCCC3)C(=O)[C@@]12C 2297591180 WUMZZUJSINPTIB-DEOSSOPVSA-N 454.479 1.781 30 10 JDEE CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)c1 16210582 RGJTTYDHDUVCHI-UHFFFAOYSA-N 462.528 1.717 30 10 JDEE CC(=O)N[C@H]1N(/C=C2/C(=O)Oc3ccccc3C2=O)C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)N1C 33688707 WPNGPFVIPPVILI-XJDNSDHTSA-N 462.418 1.815 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1C[C@@H]1CCCO1 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C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1286398011 VVCMBGQKSDQXBJ-GCJKJVERSA-N 476.624 1.660 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1286399085 YCEQKJAKWDWXLO-JQVVWYNYSA-N 462.547 1.803 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286399149 ZTIUMXUVKRXTQQ-XUVXKRRUSA-N 465.620 1.113 30 10 JDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(N2CCOCC2)n1 1286401840 VEUUCENAPGCRFL-RUZDIDTESA-N 464.570 1.671 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cc(C)nn1C 1286439567 RNRZUXSRGBRYHN-UHFFFAOYSA-N 450.572 1.791 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2cncn2)CC1 1286700329 LRNPZWXXWYDIAU-SFHVURJKSA-N 464.596 1.085 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N1CCOCC1 1286742507 QKHIMHJXVGZTAU-FQEVSTJZSA-N 484.582 1.103 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1286816215 JHENRZSOXJJGNS-HDICACEKSA-N 450.517 1.125 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1286819530 NHOAFYWBKJYRON-INIZCTEOSA-N 456.576 1.523 30 10 JDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286837241 VGTPPEQAVVLQCF-ULQDDVLXSA-N 459.638 1.391 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@]2(C)CN(C3CC3)C2=O)c1 1300337152 UNUBGHXWTSBBPL-DEOSSOPVSA-N 450.543 1.882 30 10 JDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1300386224 NYARJFCRYGPIRQ-JOCHJYFZSA-N 457.604 1.922 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300487172 HGBWWCYQVXVKPK-ZWKOTPCHSA-N 457.560 1.201 30 10 JDEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1300489546 OSDWMTOTMPDPDI-MOPGFXCFSA-N 469.567 1.781 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(CS(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1300489942 WIDJWXGQXHDYTI-INIZCTEOSA-N 498.030 1.445 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1300491365 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C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300990926 JCKYDFIAKSRSJW-UHFFFAOYSA-N 480.591 1.364 30 10 JDEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1301258520 UZDWUTQQMPTJET-OKZBNKHCSA-N 465.551 1.741 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1301492258 CDIUZZQOKSREGN-HNNXBMFYSA-N 478.948 1.672 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1301498210 KZPCNHILKLCYIL-JTSKRJEESA-N 458.950 1.369 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCS(=O)(=O)C1 1303627075 CSRBFXSPJCSMSV-JKSUJKDBSA-N 480.616 1.368 30 10 JDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)N(C)C 1303694872 GQXZMVZRHBPUHS-MJGOQNOKSA-N 459.620 1.875 30 10 JDEE CCCN1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](CNC(C)=O)C2)C1 1307037933 GXHPXNMLCYKUSZ-IFMALSPDSA-N 451.575 1.890 30 10 JDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1358920696 FWRZSSNGZDAJND-UHFFFAOYSA-N 493.659 1.478 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(COC)c1)[C@H]1CCS(=O)(=O)C1 1358965792 BGAKLYZYNYBACQ-FQEVSTJZSA-N 471.583 1.222 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1358968269 FOJWQXSZRFHNFU-JOCHJYFZSA-N 469.549 1.613 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(SC)CCN(C)CC2)CC1 1359029555 ASGCNIGYYCPFRB-DEOSSOPVSA-N 476.691 1.901 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1359035937 IWNVXHYPVXGUQM-RBUKOAKNSA-N 473.599 1.412 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1359038930 QIVOBCZZCGWQTO-HXUWFJFHSA-N 457.600 1.664 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC=CO2)CC1 1359042190 WDKSCMUYIHEFTJ-YKSBVNFPSA-N 457.575 1.977 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2(N(C)C)CCOCC2)CC1 1359046404 QMLKXIINYCNYRS-UHFFFAOYSA-N 465.602 1.341 30 10 JDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccccc1 1359137869 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478.619 1.635 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(CCOC)c1 1539258342 VLLMSFZQILRMOE-UHFFFAOYSA-N 456.510 1.156 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCOCC1 1539325892 PQJACFPYTCEHFG-NHCUHLMSSA-N 486.617 1.770 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCc3cccnc32)CC1 1539467524 TVIMMKGPCCXIRV-HXUWFJFHSA-N 463.586 1.897 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccnc(OC(F)F)c2)CC1 1539477225 KIFZMQYBAIVJEU-INIZCTEOSA-N 473.484 1.240 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1539477722 WTIDUQBXJWABEX-DEOSSOPVSA-N 465.533 1.691 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1539514237 XFIOWSIIVFQELN-IBGZPJMESA-N 477.660 1.876 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)cc(OC)c1 1539557125 LVUCVWAWGDEOOG-DENIHFKCSA-N 477.562 1.799 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1539599392 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10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)CCC)CC1 1595755222 UCKVCCIQBZDIAU-UHFFFAOYSA-N 466.608 1.000 30 10 JDEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(N2CCOCC2)CCSC1 1611286517 HJUSIWJHFGIPOF-VGOFRKELSA-N 470.603 1.872 30 10 JDEE CCN(CC)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1 1615343727 GJTOAWJKDPBHMJ-UHFFFAOYSA-N 478.561 1.489 30 10 JDEE CO[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)C 1619005069 GXGZOFSMPMCMPQ-IBGZPJMESA-N 452.563 1.665 30 10 JDEE COC(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(OC)c1 1623761812 HZADIMULXOPCTF-UHFFFAOYSA-N 458.496 1.892 30 10 JDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1628658331 CPGZKJTZEXNMDM-RDJZCZTQSA-N 450.561 1.988 30 10 JDEE C=CCCONC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1634247260 JFXSFKLEXJCGOC-UHFFFAOYSA-N 459.952 1.586 30 10 JDEE C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc(N3CCc4ccccc43)cc2)CC1 1645163841 ZPBOASXVGFSGOA-UHFFFAOYSA-N 453.568 1.405 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)Nc2cc(S(=O)(=O)NC(C)(C)C)ccc2OC)CC1 1667345272 LFWZUYJSFBKDJJ-UHFFFAOYSA-N 450.561 1.765 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@H](OCC)C(C)C)[C@H]1CCS(=O)(=O)C1 1689978106 MRNNOHMJNIIONO-OALUTQOASA-N 465.620 1.592 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1689983479 CECWKEVGNAPAIH-WMZOPIPTSA-N 460.556 1.768 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1689984093 LDNZUXPFWLLUCK-KRWDZBQOSA-N 478.596 1.416 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCN(C(C)C)CC1 1690063641 KWRJWHZCLGIWES-UHFFFAOYSA-N 488.658 1.890 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2COCCO2)n1 1690109516 URVADHYFHUEADW-LJQANCHMSA-N 471.949 1.892 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[C@H]2N2CCCS2(=O)=O)CC1 1690137134 OFTBHHBNQWBZEM-WOJBJXKFSA-N 490.674 1.746 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1690190028 JNVSBEOVLBXDIS-LXGFNABISA-N 498.675 1.085 30 10 JDEE C=C(Br)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1690220830 BRRHLLDAXPZKFW-AWEZNQCLSA-N 497.419 1.771 30 10 JDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1690507562 PICIBBLLIBNNIM-LJQANCHMSA-N 456.522 1.923 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1690644422 JYZMSSLRTKDSAO-ICSRJNTNSA-N 488.614 1.443 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690665517 GWQLWNIECVOIKF-UHFFFAOYSA-N 469.571 1.314 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@](C)(O)CCOC)C1 1690697503 WTPAUVBOVVZCNL-MZNJEOGPSA-N 468.558 1.761 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(OCC(=O)N(C)C)c1 1691008344 HJKNPARQVHQMIP-QGZVFWFLSA-N 453.547 1.512 30 10 JDEE COCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)CCOCC1 1697804421 BDSYDDHOHKJOSD-OAQYLSRUSA-N 468.558 1.601 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccs1)N(C)C 1705552192 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CCN1CCN([C@@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)C(=O)NC)C2)CC1 1728624957 GEJFOUQRVMPTPI-OAQYLSRUSA-N 464.618 1.805 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2Cc3ccccc3C2)CC1 1740580754 HMOGCBHEEQRMJC-SFHVURJKSA-N 456.616 1.591 30 10 JDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C(=O)NCCOC)CC1 1740592219 TURNIVHXHHJIJL-UHFFFAOYSA-N 480.617 1.845 30 10 JDEE C#CCCCn1c(N2CCN(CC(=O)N3CCCCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1740596904 MQFUPPFGBROTDP-RUZDIDTESA-N 472.634 1.868 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc2c(c1)COCC2)[C@@H]1CCS(=O)(=O)C1 1740616180 VJNRIKYCFRMHQW-JOCHJYFZSA-N 499.637 1.944 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1740619882 MAMRXDMMVDDBRM-WMZOPIPTSA-N 460.556 1.626 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCSCC1 1740683762 DSVAQDJKCAHBHN-UHFFFAOYSA-N 453.572 1.729 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2CC2CCN(C(C)=O)CC2)n1 1740688264 SWMLBLXGACGHRO-UHFFFAOYSA-N 496.616 1.255 30 10 JDEE 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465.558 1.842 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(F)ccc(F)c2C1 1301479380 YPJFEYSRXBRQRX-GFCCVEGCSA-N 454.503 1.031 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)O[C@H](C)C1 1301509926 QJZUKGOMEWSYPO-OYRHEFFESA-N 467.618 1.559 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)COC)CC1 1301515801 ZKMYQIRMEADPEI-UHFFFAOYSA-N 497.383 1.761 30 10 JDEE CC(=O)N1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)C1 1301677730 HTQUNWNNCHVDKC-NRFANRHFSA-N 451.575 1.844 30 10 JDEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1301841077 AGJCVYNWWAIXNH-HNNXBMFYSA-N 452.437 1.880 30 10 JDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCc2cccc(C(N)=O)c2)CCO1 1303008918 CDFPRODVSXCABQ-KRWDZBQOSA-N 465.539 1.340 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C(F)(F)F)cc1 1303866169 GVMYXYXHFIMPFM-SWLSCSKDSA-N 458.466 1.684 30 10 JDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)c1 1356458170 PQLLMCRYEVTJKH-NRFANRHFSA-N 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C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1722542742 HAMYOZIXFMCCOC-XYJFISCASA-N 485.058 1.894 30 10 JDEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCNS(C)(=O)=O)CC1 1722561375 SFUHVKBLYSBKSS-UHFFFAOYSA-N 481.648 1.642 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1722696112 BHULUDHSOSEBBB-QGZVFWFLSA-N 457.554 1.423 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1722699375 GYMVZUKIRAIZRA-HXUWFJFHSA-N 487.511 1.216 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1722700496 KTXDLQCUTOYXCF-UHFFFAOYSA-N 481.601 1.906 30 10 JDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)CC1 1730421534 CXTNJDICVPHXHN-UHFFFAOYSA-N 465.558 1.594 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccccc1Cl 1740553356 RELRKPPZKVYGAD-KLHJMIIUSA-N 482.006 1.630 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740616171 VIDOEIVORZXOCY-UYAOXDASSA-N 478.663 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Cn1cc(C(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2267502746 SHBVEOFFUXNKCQ-GOSISDBHSA-N 484.362 1.487 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2267716560 OVUBCRXXZPUJHR-LSDHHAIUSA-N 488.437 1.696 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2268710412 HMGYHDOPPUSZDP-CQSZACIVSA-N 467.397 1.822 30 10 JDEE CC1(C)OB(c2c[nH]nc2C(=O)NC[C@@]23CN(Cc4ccccc4)C[C@@H]2CCO3)OC1(C)C 2281984694 DUVYMYSRHNUZPG-MHECFPHRSA-N 452.364 1.730 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)n1 2282043374 JJPATCQBFLWPRU-UHFFFAOYSA-N 463.388 1.002 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282177839 BFLMYDISXAZIED-XWTMOSNGSA-N 459.352 1.791 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1CN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2282350831 SGOGDQBCNYOCDB-KRWDZBQOSA-N 482.408 1.900 30 10 JDEE Cn1cc(C(=O)N2CC[C@H](OCCNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 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1.637 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C(=O)NCCN4CCOCC4)cc3)cc2C1=O 520481350 HXISESLSFJSYBE-UHFFFAOYSA-N 462.506 1.783 30 10 JDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cc(C)cc(C)c1 729668569 NRMNTURYGRVQSR-UHFFFAOYSA-N 487.585 1.819 30 10 JDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1286325257 UAXBPGAUPXAKIB-XVAXZDLZSA-N 469.634 1.850 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1286392028 HMBKBVBUNSBMEP-QYZOEREBSA-N 495.646 1.958 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1286394629 JVFPBGJJEXKWDT-PCCBWWKXSA-N 488.610 1.641 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCN(C(C)C)CC1 1286443067 XHBOFILGYUKUJV-UHFFFAOYSA-N 463.586 1.887 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCn2cc(Br)cn2)CC1 1286494378 MXOXKAGPPYPFTC-UHFFFAOYSA-N 497.401 1.889 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286500200 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C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1301498837 UMLLVLZNVJJZGC-LSDHHAIUSA-N 473.603 1.863 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)cc1 1301520665 LFAABTJPKPMUBM-FQEVSTJZSA-N 495.584 1.796 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(S(C)(=O)=O)CCC2)C1 1301544243 UZCOJGOETAZTEH-UTKZUKDTSA-N 454.593 1.679 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1301569086 PIFLBPQHHZOVOR-JLTOFOAXSA-N 452.581 1.207 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(C(F)(F)F)CC1 1301588225 DMHFALPSUAGCEC-ZDUSSCGKSA-N 468.523 1.480 30 10 JDEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)CC1 1314022946 GUISCJQJPPKJDM-UHFFFAOYSA-N 464.530 1.983 30 10 JDEE CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1314532608 AQGOYVGDRYVYPT-HXUWFJFHSA-N 485.614 1.248 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1358958111 HVBZVENFHFCRPM-SFHVURJKSA-N 450.528 1.103 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1358961749 DRNJQKKPYNLGHT-LPHOPBHVSA-N 484.582 1.892 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1ccc(S(N)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1358963813 OKQAURKBQMJIHL-SFHVURJKSA-N 493.655 1.384 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccnc1)C(C)C 1358994766 WEMWWHDZLKYWJI-VXKWHMMOSA-N 484.626 1.909 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CC(=O)NC(C)C)CC1 1359034279 KJUULVTUDCQNEY-UHFFFAOYSA-N 476.585 1.345 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1359035000 ILRGEOJWOVZNFS-ZWKOTPCHSA-N 459.595 1.487 30 10 JDEE C#CCSCCn1c(N2CCO[C@@H](Cn3cccn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359062976 ZPOTWBYJQSJTNL-KNQAVFIVSA-N 460.604 1.787 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cnc2c(Cl)cnn2c1 1359064196 NMROETMHFRRQRY-JLTOFOAXSA-N 476.994 1.819 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(O)c1 1359070791 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Cn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)n[nH]2)cn1 20837517 FYDOGZDGRWBXLA-KEBDBYFISA-N 489.587 1.500 30 10 JDEE N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@H]1c1cccc(Br)c1 72443787 POBPOXWSMBWQTI-KGLIPLIRSA-N 471.315 1.458 30 10 JDEE C#CCn1c(=NC(=O)c2cc(OC)c(OC)c(OC)c2)sc2cc(S(N)(=O)=O)ccc21 254592698 HDRSEZJZYDBTPM-UHFFFAOYSA-N 461.521 1.750 30 10 JDEE C=CCOC(=O)[C@@H]1O[C@@H](OC(=O)[C@H](C)c2ccc(-c3ccccc3)c(F)c2)[C@@H](O)[C@H](O)[C@@H]1O 575417042 ONIQYRINBFNODR-JZQLQCOOSA-N 460.454 1.676 30 10 JDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1 609109466 MZHAXBVGQQYSTC-NRFANRHFSA-N 453.568 1.784 30 10 JDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1ccccn1 729669973 YVHMSGLCQDZZFU-UHFFFAOYSA-N 472.574 1.470 30 10 JDEE C=CCn1c(-c2ccco2)nn(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)c1=S 913063639 FVWLABCSVCTQCI-UHFFFAOYSA-N 454.578 1.012 30 10 JDEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc(O)cc3O)n2N)cc1OC 1084283263 NZVXODWTMBGTJF-UHFFFAOYSA-N 459.488 1.597 30 10 JDEE C#CC[C@]1(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CCCN1C(=O)OC(C)(C)C 1126179622 NKPZFTKFHSFXDB-DYESRHJHSA-N 457.593 1.384 30 10 JDEE Cn1ncc(C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)c1-n1cnnc1 1144758209 BWJQROURTLOFEV-KRWDZBQOSA-N 455.320 1.786 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1286382624 JWJXIMRWGOBUMU-IBGZPJMESA-N 482.522 1.932 30 10 JDEE C=C(Br)Cn1c(CC)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1286539616 AWFVHZAGRPLNIC-MCIONIFRSA-N 490.424 1.876 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(S(C)(=O)=O)CC1 1286554884 ZOBBGTBCIYUXPT-PKOBYXMFSA-N 476.559 1.916 30 10 JDEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286711939 RKFYMJTZCWPQEN-ZWKOTPCHSA-N 499.634 1.803 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1286785079 ANRCTLVDNGRUJU-BEFAXECRSA-N 473.528 1.693 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCS(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286824342 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NFUYWBUKICWOCZ-RBUKOAKNSA-N 454.369 1.944 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(O)cc2)CC1 1301125667 PWJVGABDXAWGHB-FQEVSTJZSA-N 461.588 1.962 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1c1nncn1C 1301479134 UNUWFQVREFJKEQ-SFHVURJKSA-N 463.546 1.919 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(CC)[C@H](C)C1 1301497507 YBPQCYGGCUIYPL-GOSISDBHSA-N 478.601 1.898 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1 1301509196 CAZUXGQFSJJQSJ-UHFFFAOYSA-N 456.554 1.959 30 10 JDEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@@H](C)C#N)n1CC(=O)NCC1CC1 1304057852 FBRGPWNYGQIEFP-AWEZNQCLSA-N 458.592 1.669 30 10 JDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1313491068 BDHYIQDKDPAKTQ-UHFFFAOYSA-N 459.576 1.203 30 10 JDEE CN(C)S(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1314675083 GWSFZCPEPHQHEM-UHFFFAOYSA-N 498.588 1.493 30 10 JDEE COc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)cc1O 1315496806 HXNCPVLSKDTDBS-FQEVSTJZSA-N 490.586 1.504 30 10 JDEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](COC)C(N)=O)c1 1356577877 WRBJDSPVBGWYGM-GOSISDBHSA-N 451.932 1.951 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)N1CCOCC1 1358870825 VDGIKCCRUWDGOC-MRXNPFEDSA-N 458.950 1.568 30 10 JDEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1358908985 QDVFFIYABGEFEE-UHFFFAOYSA-N 482.976 1.869 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358955907 VZMTUHOPBMTMIN-FQEVSTJZSA-N 499.641 1.817 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358956968 NHDPZSQYADZFAX-XUZZJYLKSA-N 493.674 1.821 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358966572 ROSUFXKIYCLMRX-PERKRYKHSA-N 462.620 1.564 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1358976771 PXCFARCVDFPAFR-UHFFFAOYSA-N 464.551 1.090 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)NC1CC1 1358979748 WWTLDLVDJLXWQE-LJQANCHMSA-N 470.574 1.718 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[S@](=O)CC)CC1 1359036071 LZTAFQYGZOMIPD-RTHCMUBDSA-N 480.635 1.110 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2c(C)noc2C)CC1 1359046976 MPDBACMRFSUUQC-UHFFFAOYSA-N 450.547 1.759 30 10 JDEE C=C(Cl)Cn1c(N2CCC(N(C)S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359156267 AEFJMKPRNAORIX-IBGZPJMESA-N 462.016 1.931 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1359284316 GWTVSDAVAJSQMH-IBGZPJMESA-N 474.631 1.930 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2nnn(C)n2)C1 1359312528 WIZNHWFUYNZHFJ-INIZCTEOSA-N 457.926 1.215 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359329131 ZQEHTGBYUGZRIO-PKOBYXMFSA-N 459.572 1.612 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359335850 WWZLOVFAILKPJP-HNNXBMFYSA-N 451.524 1.264 30 10 JDEE C#C[C@@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 1469384345 RQMPLJGMFLTCHJ-OAQYLSRUSA-N 457.527 1.930 30 10 JDEE CS(=O)(=O)c1ccc(OCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)cc1 1505120231 BQEWAQTVNYUULP-NRFANRHFSA-N 476.534 1.439 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1507538210 KXBJRNCPCRMRIO-GHTZIAJQSA-N 471.627 1.895 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1Cc1ccccc1 1507616961 QAZYFRFJMLFHIC-RTWAWAEBSA-N 472.615 1.345 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1507623410 RTLRTMZQRWPWHZ-LJQANCHMSA-N 485.614 1.284 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 1507632692 PECXTEUKNVEYTE-ZWKOTPCHSA-N 463.510 1.377 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CCC1 1507701043 XSAISBIYZYIJEU-INIZCTEOSA-N 497.618 1.635 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)NC(C)C)CC1 1507720662 IFXMKYLHVUUIMQ-UHFFFAOYSA-N 451.984 1.077 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCSC(F)(F)F)CC1 1507735670 DSGMTPWSBWQLMZ-LBPRGKRZSA-N 482.554 1.107 30 10 JDEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1 1507783849 FGRBOBRNMUZAAM-AWEZNQCLSA-N 485.383 1.821 30 10 JDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507925607 IPVGAUMWKRCXLG-GOEBONIOSA-N 467.596 1.011 30 10 JDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507928515 GXGCFKCLKYGRQY-INIZCTEOSA-N 452.519 1.754 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cc(C)no2)CC1 1507952878 BQDBGLOSXOAGSB-LJQANCHMSA-N 479.607 1.196 30 10 JDEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1507977930 APGORNRLJCQUTQ-KRWDZBQOSA-N 464.530 1.846 30 10 JDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCN(CC)CC1)C1CC1 1507993204 OUYNXWPWLYSCMW-MOPGFXCFSA-N 450.653 1.609 30 10 JDEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCCS1(=O)=O 1508039121 YEVBPIDYWBRQOG-IBGZPJMESA-N 482.628 1.955 30 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JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1539226044 TWAYGRIUAUPJBV-GUNSETOZSA-N 467.642 1.172 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccccc1CC)[C@H]1CCS(=O)(=O)C1 1539231243 UEQMIZTUXYOMDU-FQEVSTJZSA-N 455.584 1.638 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1539314995 BBZIKMRAKOYAEU-IBGZPJMESA-N 486.536 1.126 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)CC1 1539462735 YFLXNXMSGIGWCN-QFIPXVFZSA-N 450.543 1.680 30 10 JDEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1539981395 IDJSOIUWBPBCGG-UHFFFAOYSA-N 495.675 1.985 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1540897550 MAZCZZJZCOQWPH-IRXDYDNUSA-N 461.592 1.445 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOC)[C@@H](C)C1 1540900430 VKVMLMBFTXRACF-SFHVURJKSA-N 491.614 1.474 30 10 JDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1554489233 HMBWQWDLBADEGN-UHFFFAOYSA-N 471.525 1.458 30 10 JDEE 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JDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1670092346 DIODAISWCCQKHG-OXQOHEQNSA-N 452.577 1.876 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1689982810 VDTUESJRCURBKL-HYBUGGRVSA-N 488.610 1.808 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1689993887 NDAGRWWEPLNRMA-IBGZPJMESA-N 462.645 1.746 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1c(F)cccc1F)N(C)C 1690032462 BTJPMRKXLYNUIM-LPHOPBHVSA-N 478.569 1.932 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@H]2CCC[C@@H]2N2CCCS2(=O)=O)n1 1690108046 NITUWFUHEYXMFM-CTNGQTDRSA-N 475.619 1.273 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(COC)c2)CC1 1690146696 UOUZMHRLBLIRGI-OAQYLSRUSA-N 485.610 1.341 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(OC)c1 1690175106 PYNBCDLLUBMBIU-LJQANCHMSA-N 479.628 1.622 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1690228674 CMSJDDKZJJNOSL-BMFZPTHFSA-N 490.424 1.523 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(C)=O)CC1 1690235792 DVKCYUKBVNNRAL-WDYCEAGBSA-N 468.624 1.317 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1690311904 XEFIYGDVWDNFCH-NHCUHLMSSA-N 460.623 1.898 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2)C1 1690313024 JTSGFRSGCOUWLQ-LEWJYISDSA-N 491.614 1.782 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)CCC)C1 1690723179 KJGNCOTUAQZUPM-INIZCTEOSA-N 492.602 1.492 30 10 JDEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2CCCN2S(C)(=O)=O)CCOC1 1696063888 ADCAROMKCWRTNN-QMMLZNLJSA-N 466.608 1.484 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCSCC2)CCCC1 1705478293 ZAIOVUHAYNIHCK-IRXDYDNUSA-N 454.666 1.708 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)N1CCSCC1 1705480059 QTFWVFURBXMWFP-FXAWDEMLSA-N 471.649 1.155 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nc(-c2ccccc2)no1 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C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1722724526 YXWGZHOUERIYQJ-SJLPKXTDSA-N 477.562 1.969 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](Cn2cccn2)C1 1722725057 CUTQDAKIGHYZDT-QGZVFWFLSA-N 460.535 1.787 30 10 JDEE CCN(CC)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1728396018 AHNLKLSKHJOKSA-HSZRJFAPSA-N 472.615 1.677 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCCC2)CC1 1728669295 BKNXXRZNNWMZBT-UHFFFAOYSA-N 481.601 1.682 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1740553974 VQWIQCJYWMYZMU-BVSLBCMMSA-N 471.627 1.929 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740623123 OUHMKSWACHDFJQ-CYBMUJFWSA-N 480.472 1.381 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1740625175 OLKSCXFBOHEIHH-OAHLLOKOSA-N 467.642 1.649 30 10 JDEE C#CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C1CC1)[C@H]1CCS(=O)(=O)C1 1740627244 OTYKKIXZXOAOBF-IRXDYDNUSA-N 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C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1359302367 FETWAAPGBJASSB-QGZVFWFLSA-N 452.519 1.650 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1359333862 MPFCBOCAAHMUKQ-IRLDBZIGSA-N 473.643 1.935 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(Cc2ccc(F)cc2)CC1 1360712719 BQVRCDAMOMAMFB-CRAIPNDOSA-N 462.551 1.779 30 10 JDEE CC[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1ccccc1OCC(=O)NC 1468086966 FJIAVSCNDYEELL-AEFFLSMTSA-N 451.531 1.844 30 10 JDEE CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H]1CC[C@H](C#N)C1 1469272281 HBAKSQFLBODWPB-ZENOOKHLSA-N 456.362 1.791 30 10 JDEE Cc1c(C#N)c(NC(=O)CN2CCN(S(=O)(=O)NC(C)C)CC2)n(C2CCCC2)c1C 1473467422 CODWFBTWPQVWEE-UHFFFAOYSA-N 450.609 1.891 30 10 JDEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1)S(C)(=O)=O 1502179372 FHPCQHVMUSCPPJ-HXUWFJFHSA-N 485.614 1.689 30 10 JDEE COCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1504547694 HUDVFQKRMPHXCL-INIZCTEOSA-N 476.607 1.154 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCCC1=O 1507538315 LIMRXECOAQIQGS-XLIONFOSSA-N 455.584 1.809 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CN1CCCC1 1507538558 NGNWJNQAWPWIPR-QZTJIDSGSA-N 452.625 1.191 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(CCOC)c1 1507539210 SJGNDZPWSUPVKW-HKUYNNGSSA-N 473.578 1.936 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1507556248 GFGDBESUKNCJJG-SFHVURJKSA-N 464.636 1.921 30 10 JDEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1507632065 ISTVYCKTSVUPNV-PKOBYXMFSA-N 473.603 1.114 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1507635238 QKXPJHGVHLMNPN-HXUWFJFHSA-N 499.637 1.744 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1507916347 OQDBXSBWEDYQAR-KSZLIROESA-N 480.635 1.461 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1507954833 QJLAQTBNTNLEOG-PMACEKPBSA-N 472.615 1.495 30 10 JDEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C 1507964863 MQQFJSVKZLWLKM-ZWKOTPCHSA-N 478.594 1.846 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1n[nH]c(C)n1 1508008514 PDVLCOYADRXUCT-KRWDZBQOSA-N 492.631 1.534 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1 1508009274 XBKZHRUQHBZRQU-HXUWFJFHSA-N 489.577 1.725 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1508058800 FVNFALYIPOWQQN-CQSZACIVSA-N 473.481 1.169 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NC(=O)C(C)C)CC1 1508084079 HJBOZCYENUBQKY-UHFFFAOYSA-N 464.574 1.560 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1508084094 HXPNSCVTYXYQAG-UHFFFAOYSA-N 481.648 1.186 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1508087180 BWOZFYVUYIHIAV-NRFANRHFSA-N 481.601 1.260 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1508094524 YKRVORHLJXONFJ-IBGZPJMESA-N 454.575 1.723 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)CN2CCCCC2)C1 1508123429 HYFXZVJVRBEJJW-HBMCJLEFSA-N 496.678 1.514 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1508138004 USTBUSOBYLJRCN-OAHLLOKOSA-N 460.564 1.449 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1508143607 ZYKMEZUAZWHZTK-IBGZPJMESA-N 465.620 1.612 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1508144470 FAPXWUHGZIOVGQ-OAQYLSRUSA-N 466.608 1.282 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1508148321 RGXZXJDGFPEQJD-QUCCMNQESA-N 475.663 1.422 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(OC)c1OC 1539014110 KZLZKHIBBQSVBS-QAPCUYQASA-N 493.586 1.143 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2cccnc12 1539014235 LMUMCVGFUUSNPQ-QFBILLFUSA-N 454.556 1.665 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCC[C@@H]2C)c1 1539043178 OACISAUGCUCDPH-ICSRJNTNSA-N 484.626 1.721 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCCCC2)C1 1539126457 VMXMYUZBDWCPPB-IBGZPJMESA-N 465.620 1.954 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1nc(C(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1539200827 PHXSCNAOAYICCT-OAHLLOKOSA-N 464.617 1.671 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1539202337 GWSHPVBDADSJQU-AEFFLSMTSA-N 471.587 1.035 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](N1CCOCC1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1539211456 MCQXBDKYWHLPIW-MOPGFXCFSA-N 497.543 1.835 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539230982 RWDVBEZLQPJXMO-HXUWFJFHSA-N 487.626 1.969 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(F)c1 1539265039 CLFDSXGCYUFQHN-XLIONFOSSA-N 475.546 1.290 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1(C(=O)N(C)C)CCCC1 1539395597 DPENMUGAJGPCNH-UHFFFAOYSA-N 453.547 1.660 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCn2cc(C)cn2)CC1 1539469390 RPRSXANZMOHJTK-QHCPKHFHSA-N 455.563 1.101 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@](=O)C(C)(C)C)C1CC1 1540110073 YUDRLNKNZJXPIY-OFJJUDJNSA-N 459.638 1.313 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(CC(=O)N(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540876081 GYSNYPOZIGKROD-QHCPKHFHSA-N 462.595 1.316 30 10 JDEE COC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)OC 1555259539 ACUAZRQOVVKHLD-UXHICEINSA-N 454.531 1.511 30 10 JDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1568889291 BHUGIWOOXVSHBJ-OPAMFIHVSA-N 468.572 1.958 30 10 JDEE C=CCN(C(=O)c1cc(S(=O)(=O)NCCCN(C)C)ccc1C)[C@H]1CCS(=O)(=O)C1 1583031224 NCECWPMWCBWMGZ-KRWDZBQOSA-N 457.618 1.040 30 10 JDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1587831089 HVRIJKNFGXEJEV-UHFFFAOYSA-N 466.542 1.303 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1587862590 WXFKZQJWEKAMDA-APWZRJJASA-N 493.552 1.554 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1587862613 XJWFQZBJPTVCID-SFHVURJKSA-N 458.588 1.714 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588030692 ZSYJJIDJRZHTPV-NVXWUHKLSA-N 479.990 1.786 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCNC(=O)c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1588041030 UDLQFVPMGHFPJS-LJQANCHMSA-N 497.577 1.912 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1588065445 YRSKTVKWBLDOOZ-VXKWHMMOSA-N 486.642 1.247 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1588074002 GXEAEVVXJIDXSG-IPMKNSEASA-N 484.688 1.939 30 10 JDEE C#CCN(c1nnc(COCC)n1CC1(N2CCCC2)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588074841 SWPJWLATBCHZML-LJQANCHMSA-N 465.620 1.086 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)cc2F)CC1 1588891858 URSJFUUZRNFJQM-CQSZACIVSA-N 496.996 1.695 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)N(C)C)CC1 1588908501 RUTYYVULVWNDHY-KRWDZBQOSA-N 454.575 1.878 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1588914123 XIZBUSDNUKNBOO-QHCPKHFHSA-N 496.660 1.781 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCN2CCOCC2(C)C)CC1 1588955017 OATVNKYWYFECMK-UHFFFAOYSA-N 465.602 1.341 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC(=O)NCC(F)(F)F)CC1 1588961517 BRRILDDVWHORPE-UHFFFAOYSA-N 496.465 1.641 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCOCCS(C)(=O)=O 1589163058 HPIYMQAYFQPBDA-RTWAWAEBSA-N 454.593 1.372 30 10 JDEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1593871980 AOGMYULLAUJOOA-UHFFFAOYSA-N 499.019 1.935 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](OC)C(C)(C)C1 1595550280 BRKUTIKRRGMBRY-IAGOWNOFSA-N 478.594 1.750 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1595766295 NWTUITLDXAOPIS-QGZVFWFLSA-N 492.989 1.672 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)NC2(C(=O)N3CCOCC3)CCCCC2)ccc1F 1607352558 LBZCRXPEJUGPPP-UHFFFAOYSA-N 453.536 1.582 30 10 JDEE Cc1cnn(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)c1 1612341994 HMUUIPGQFYZADQ-UHFFFAOYSA-N 454.560 1.494 30 10 JDEE C[C@@H]1OCC[C@@]1(O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](C#N)C1 1613028199 HLWWQWHDPWZZFH-TXBYWVTISA-N 476.578 1.661 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[S@](=O)C[C@@H]2c2cnn(CC)c2)s1 1626611628 UNBPOAKTFBLFQQ-HJWYETAXSA-N 456.615 1.304 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)s1 1633578017 UHMBMDTVOBUILT-UHFFFAOYSA-N 453.508 1.672 30 10 JDEE C=CC1(CC(=O)N2[C@H](C)SC[C@H]2C(=O)NCCC(=O)OC)CN(C(=O)OC(C)(C)C)C1 1638596444 XZTMUEPIZWQHFJ-GJZGRUSLSA-N 455.577 1.769 30 10 JDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1682617178 XXMXZMBCGWILAC-MSOLQXFVSA-N 472.405 1.894 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCOC[C@H]2C)c1 1689872387 XKFHPKADMSPOCO-MISYRCLQSA-N 485.610 1.909 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)Oc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1689978394 UUFRJJOPQPOJHD-PMACEKPBSA-N 485.610 1.917 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CCN(C(C)=O)CC2)CC1 1690115089 RGBIHGVJQYODRE-UHFFFAOYSA-N 487.555 1.466 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1690154258 LVPGLHGGUWMXMO-MRXNPFEDSA-N 458.592 1.180 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OC)c1 1690206126 ICLBJRVVYOJBOB-DENIHFKCSA-N 459.572 1.660 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1690259630 QLUVPGGFHDIYAO-OAQYLSRUSA-N 450.561 1.914 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1690313530 WMNSRCZNIUQJCB-WOJBJXKFSA-N 460.623 1.944 30 10 JDEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC)C(=O)C1)c1ccccc1 1690444150 BPJUZQNIBCTBBC-PMACEKPBSA-N 452.559 1.884 30 10 JDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1690469577 UMZLGGIOXBTOPO-UHFFFAOYSA-N 470.603 1.774 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C(C)=O)CC1 1690665547 HPZRNOOKRSJLTC-UHFFFAOYSA-N 465.327 1.817 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690678514 YPBDYJQYAMAUNC-LZLYRXPVSA-N 468.624 1.017 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1690746640 FOAPUPJQPDIHDB-ROUUACIJSA-N 455.650 1.258 30 10 JDEE CC(C)OCCS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO2)CC1 1692625447 GUXONUSOPNVMPD-NRFANRHFSA-N 488.614 1.873 30 10 JDEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1695044112 AAKDOUOBUMZPMZ-RUZDIDTESA-N 497.600 1.854 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1705480304 TUMLRCNEOFHIHF-IUKKYPGJSA-N 454.579 1.889 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1705560592 IGUXNUPVZIPYCD-XXBNENTESA-N 479.647 1.430 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1705563386 WMGMCELLUGEGJQ-SFHVURJKSA-N 487.582 1.259 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1705566192 ZTBRQIDEOQGERA-GOSISDBHSA-N 469.542 1.941 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705568748 UQBNDJJOEMYMGH-LJQANCHMSA-N 498.609 1.660 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN1CCN(C(C)=O)CC1 1705573498 HXQWMKMSSIJUGT-IBGZPJMESA-N 452.534 1.794 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@](C)=O)CC1 1705582398 AFJLIMNVGJUOFO-IQVDJAOASA-N 461.588 1.570 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1705636723 VIOOAERUPNVQPC-XTQSDGFTSA-N 495.971 1.889 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1705643538 JQVGWWCXRLZPPU-ROUUACIJSA-N 456.591 1.684 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccccc2C)CC1 1705645607 YIXUAGRPUJFABV-SFHVURJKSA-N 472.615 1.405 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1705781555 CEPKYKUGLZBVBN-MSOLQXFVSA-N 451.593 1.078 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1705905440 VNJXHDGFXFKOGY-NHCUHLMSSA-N 494.644 1.193 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1722360634 BHKAFGGAXVIFAF-PMACEKPBSA-N 455.540 1.249 30 10 JDEE C#CCN(c1nnc(COc2ccc(Br)cc2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1722372311 UFUOKEMUUUVJCK-MRXNPFEDSA-N 495.399 1.771 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCN(C(C)=O)C1 1722380602 RNMZFGRUPRXXPY-IBGZPJMESA-N 457.538 1.523 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)n1 1722427061 DTKBXJKTWTYKRI-UQBPGWFLSA-N 475.553 1.839 30 10 JDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1722439169 RHVUVYNSPIIEOY-SFHVURJKSA-N 472.540 1.397 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1722444705 MUJPVBNIUMSZLU-PXDATVDWSA-N 499.637 1.335 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cccnc2OCCC)CC1 1722445951 GSWUQDFMLZKOJD-UHFFFAOYSA-N 460.542 1.933 30 10 JDEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1722605446 HTQQZYHNINPHBN-UHFFFAOYSA-N 467.574 1.128 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1722692190 HJCAKNUFNHLKPM-QGZVFWFLSA-N 477.610 1.802 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1cccs1 1722698987 QBQFDPKEAMLIBS-GJZGRUSLSA-N 468.605 1.172 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1722728084 TXJNNHGKJIKCMY-UHFFFAOYSA-N 478.663 1.717 30 10 JDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCCCS1(=O)=O 1740612504 BAFHCSOXWPFCFB-QFIPXVFZSA-N 470.643 1.680 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1740615354 BPFDQXZAKOLCMA-IBGZPJMESA-N 464.636 1.165 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCN(C(C)=O)CC1 1740652600 GSJIAJUZKGYSLB-UHFFFAOYSA-N 471.565 1.913 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1740692452 KRVZQSNMYKSWFV-SANMLTNESA-N 498.603 1.951 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCOC)CC1 1740706245 RAGBDJCWRMNSGG-UHFFFAOYSA-N 477.569 1.677 30 10 JDEE C=C(C)Cn1c(N2CCN(CC(=O)Nc3cc(C)on3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740785859 GTHGNSSVRWEVHR-HSZRJFAPSA-N 473.578 1.952 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740788332 RYBMHCSDHKQJHB-UHFFFAOYSA-N 499.597 1.528 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1740888181 QMMQLINWOQWXEC-BZUAXINKSA-N 481.541 1.838 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccccc2C)CC1 1740951482 ZXRPBILAEDZPKV-UHFFFAOYSA-N 451.575 1.447 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1740964071 GEJDIEVYPQLVRN-UHFFFAOYSA-N 468.489 1.854 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc3ccccc3o2)CC1 1740985764 LCTZZYBAGLEPJT-UHFFFAOYSA-N 487.586 1.485 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1740988492 GNQVGUVDVKZPFV-UHFFFAOYSA-N 474.587 1.549 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1740992431 PUMPFNFNRGIPDG-KRWDZBQOSA-N 496.611 1.536 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1740993331 XWXLCSWKQZZCMI-UHFFFAOYSA-N 460.604 1.606 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)CC2CC2)C1 1741982890 BMCJXMHUXMIOTI-QFBILLFUSA-N 455.606 1.135 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1748805925 YLCAPOBGSVCKQT-RDJZCZTQSA-N 463.535 1.320 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(Cl)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1748816412 ZSAGRHXLTBOXBV-WBVHZDCISA-N 477.974 1.566 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1748821486 QQOJASDYGFKVDX-SFTDATJTSA-N 483.638 1.995 30 10 JDEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1748913869 AEEJBMSMTIEJRF-GOSISDBHSA-N 453.362 1.717 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(c2ccccc2OC)C1 1748962444 HYDUHLNKZSOZKS-PMACEKPBSA-N 487.626 1.801 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCN2CCCC2)CC1 1748989052 DKIWCMSUMXFNMS-HXUWFJFHSA-N 473.622 1.438 30 10 JDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1749193258 DFJISNZGKLURMQ-IOJLRTSASA-N 478.663 1.573 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ncccc2F)CC1 1749428027 XBLFWHPLCOGGNR-SFHVURJKSA-N 479.582 1.438 30 10 JDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(CS(C)(=O)=O)CC1 1749471381 LZBGKMWKDRKXFD-UHFFFAOYSA-N 467.617 1.642 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1749630088 OOHCLRQIKPKPAU-FUHWJXTLSA-N 498.650 1.927 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CCCC2)CC1 1749655293 GWRLKGPRXCHRQW-UHFFFAOYSA-N 472.615 1.715 30 10 JDEE C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN(C)C(=O)C1 1749677133 OQYWJIYBDNTYSS-UHFFFAOYSA-N 460.966 1.832 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1749732555 YWMIUZPUOYJDPQ-INIZCTEOSA-N 492.627 1.162 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCc2sccc2C1 1749734226 GMUNWNKYSBNACI-MRXNPFEDSA-N 470.642 1.795 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1cc(F)cc(F)c1 1749737883 AHCCJBBOSBBLJB-UHFFFAOYSA-N 453.515 1.916 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1760117370 OCMRJUCQCOUGCL-OZIGNCPNSA-N 466.652 1.579 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCO2)c1 1760125401 HRDNDCQAFHUVQH-VQIMIIECSA-N 474.587 1.514 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2nccnc2C)c1 1760125594 JFLGUVZJTTUYHP-KRWDZBQOSA-N 496.597 1.286 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1760256443 GZEYKNBBBVACQL-XMMPIXPASA-N 487.626 1.300 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1760524836 KXXQDWLZXPBFNA-HXUWFJFHSA-N 455.582 1.526 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1760525027 QYYWAAHWJKSWSI-QHCPKHFHSA-N 453.522 1.796 30 10 JDEE C[C@@H]1CCCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 1762920405 GRVZIKUXGOQPRV-LJQANCHMSA-N 487.630 1.542 30 10 JDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1767228613 FVHXXNCIIXSUII-FQEVSTJZSA-N 464.574 1.927 30 10 JDEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)CN2CCOCC2)C1 1767625535 DLWPOXTWUWERRW-UQBPGWFLSA-N 481.601 1.659 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCO[C@@H](C)C2)CCO1 1767726337 FTZPUJZCOCMJCY-UGKGYDQZSA-N 497.600 1.181 30 10 JDEE COCCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3-c3ccc4c(c3)OCO4)cc2C1=O 1870141984 VBQWSXXLSBWXQV-UHFFFAOYSA-N 474.433 1.752 30 10 JDEE COc1ccc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Br)cc1OC 1873527326 ULNSFBOOLNGPRO-OZOTYFBYSA-N 471.333 1.829 30 10 JDEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(N3CCN(c4ccccn4)CC3)ncnc21 1873562688 OLUOYMWIFQGMLR-UHFFFAOYSA-N 474.569 1.643 30 10 JDEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3/N=C/c3ccncc3)CC2=O)cc1 1874199640 SVMBCDQEYNWABM-OWLNGIFZSA-N 451.512 1.662 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CC(O)(C2CCN(C(=O)C(F)(F)F)CC2)C1 2180738115 VYDLPYLLTUBHEI-HNNXBMFYSA-N 476.496 1.948 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C[C@H](O)C1 2255540803 SDAZSOGLHGFMHA-ZDUSSCGKSA-N 453.370 1.496 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1 2255652173 QLBMRUILTKXNPA-CYBMUJFWSA-N 453.370 1.496 30 10 JDEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255821042 DAHPOQMGCNFFIB-ZIAGYGMSSA-N 452.386 1.790 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H]2OCCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)[C@@H]2C1 2267151664 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SBPMARMBXNVGON-HXUWFJFHSA-N 460.604 1.882 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1359300668 IABFCVJZQRBAEC-SCLBCKFNSA-N 479.525 1.012 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccccc1OC 1359301219 VCNKSLDPVDOHPX-WMZOPIPTSA-N 459.572 1.833 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H]3CCNC(=O)[C@H]3C2)cc1 1359306957 WKRVOQUXEQHHAR-HQRMLTQVSA-N 488.614 1.464 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N(C)[C@H](C)CS(C)(=O)=O 1359329815 VUSRJDNUYIVRDJ-MRXNPFEDSA-N 477.612 1.963 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1359385951 PQVDQJNJNDYUGU-LSDHQDQOSA-N 460.498 1.012 30 10 JDEE CC(C)Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359841183 FUMWSLXIOPROES-QHCPKHFHSA-N 472.615 1.615 30 10 JDEE Cc1cccc([C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)N2CCOCC2)c1 1441309374 HOGAKCXXUCSNDD-GCJKJVERSA-N 456.568 1.723 30 10 JDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](CNC(=O)c2ccccc2)C1 1445499785 GZOSKRXGGGBQSY-IEBWSBKVSA-N 454.552 1.894 30 10 JDEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)CCCc3[nH]nc(N)c3C#N)CC2)cc1C 1446275501 FAUYTQIOCSPTIE-UHFFFAOYSA-N 458.588 1.972 30 10 JDEE C#CC[C@]1(C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CCCN1C(=O)OC(C)(C)C 1466865318 NKYKSDQWABOFRK-HXUWFJFHSA-N 451.549 1.036 30 10 JDEE C=C(Cl)C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(Br)c1)C(=O)OCC 1471119709 ZWTYSQHVMYKMHB-CYBMUJFWSA-N 453.742 1.918 30 10 JDEE CCCS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 1475179549 IEZODANXDVAEAZ-PBHICJAKSA-N 457.574 1.908 30 10 JDEE CN(CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)C1CCCC1 1503610303 FMGYLYNYKRWVHP-LJQANCHMSA-N 465.624 1.225 30 10 JDEE COc1ccccc1SCc1nnc(N(C)C[C@H](C)C#N)n1C[C@@]1(O)CCS(=O)(=O)C1 1504444193 AIODUEVCLPDKHR-QRWLVFNGSA-N 465.601 1.724 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1507639839 MNLFQNKFXWPMTP-FQEVSTJZSA-N 468.583 1.731 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1507726194 HQSKNFPELQXQLG-UHFFFAOYSA-N 479.585 1.969 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@]2(C)CN(C)C2=O)CC1 1507739733 JQCJGZGMZOMLGN-QFIPXVFZSA-N 455.588 1.078 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@@H]1C 1507771455 AGOOSLYTMYPOEC-BBTUJRGHSA-N 450.609 1.087 30 10 JDEE C=CC1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCNS(C)(=O)=O)CC1 1507907182 SRWIDWPXTGQGCG-UHFFFAOYSA-N 457.560 1.936 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OCC)CC1 1508084423 BDRXIXAWIDKAHS-UHFFFAOYSA-N 494.556 1.256 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cl)=C(Cl)C1 1508130492 IIIHLFHSDKDMQY-NSHDSACASA-N 472.420 1.388 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1508130942 JLOGHWGBUZEKAB-SFHVURJKSA-N 461.592 1.461 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](C(=O)OC)C1 1508136906 WJRQWBCQBADNIQ-KRWDZBQOSA-N 476.555 1.707 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1508143545 ICYKYNHNKSEZDV-GOSISDBHSA-N 476.603 1.968 30 10 JDEE CCN(CCCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)S(C)(=O)=O 1515711227 FYSILJDFZSWWLF-UHFFFAOYSA-N 495.613 1.605 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CC1)N(C)C 1517105309 FJWFIJQAVYMWNF-NHCUHLMSSA-N 487.630 1.459 30 10 JDEE COC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1)OC 1518719532 GYTJHAMQDOEIJU-MJGOQNOKSA-N 491.618 1.138 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCN(c4ncccn4)CC3)n2CC(=O)NCC(F)F)c1 1521074690 ATKPJUYJOYKDBB-UHFFFAOYSA-N 453.457 1.315 30 10 JDEE C=CCOc1ccc(/C=C\C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1OC 1521997911 JEYFZNIJKDPKKR-FUKPKEADSA-N 450.557 1.926 30 10 JDEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1539103341 SAOSSCUWYDRNEM-UHFFFAOYSA-N 465.539 1.870 30 10 JDEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCC[C@@H]1NC(=O)NC1=O 1539161751 LIWNJPGCOROCRX-AWEZNQCLSA-N 461.320 1.774 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CC12CCOCC2)[C@@H]1CCS(=O)(=O)C1 1539206937 XTZXOONIKXFHES-IPMKNSEASA-N 466.604 1.446 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(C)cccc1C 1539416961 WHMKLRHAOOQXIX-NRFANRHFSA-N 475.615 1.557 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)c2cccc(OC)c2)CC1 1539432144 YBQUFXSDHGYCMA-GOSISDBHSA-N 474.631 1.630 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)[C@@H](C)CCC 1539556285 ANOFZRGHEBCHRO-NJNPRVFISA-N 480.635 1.156 30 10 JDEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1539895817 AJBMOFYJLGLCDE-JOCHJYFZSA-N 462.572 1.818 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1540863393 VPKNWKSDFUUVLX-WBVHZDCISA-N 492.577 1.429 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1540871241 HJHIBBKMWLOGFT-HNNXBMFYSA-N 495.552 1.249 30 10 JDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 1586465228 FRADFPIEARCWIL-VYDXJSESSA-N 455.602 1.756 30 10 JDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1587848139 XWIGTOSTDPTREY-INIZCTEOSA-N 454.556 1.712 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1588074053 IAQPKBZXVXKWQU-CBPXPLCBSA-N 493.674 1.893 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1588968844 REPWAGXXWBBFAH-CEXWTWQISA-N 499.616 1.151 30 10 JDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1589701106 NPHRVFINCOXPOY-UHFFFAOYSA-N 452.563 1.636 30 10 JDEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1593605514 WAIKOXAOJHRSSG-UHFFFAOYSA-N 454.531 1.466 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1594013355 GEGOGJSAZHCEBA-INIZCTEOSA-N 482.632 1.343 30 10 JDEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1594732961 JXJULELYUVXHQM-IAGOWNOFSA-N 464.567 1.504 30 10 JDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1594896457 YKTLIXUATNPGOV-XUTLUUPISA-N 485.570 1.344 30 10 JDEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1595367079 ZCCCPZANWZPYJA-UHFFFAOYSA-N 456.547 1.129 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCN(C(C)=O)CC1 1595466243 HJQZVWMAMLTXRX-UHFFFAOYSA-N 453.547 1.508 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1595550958 KDZFVMSRDSOQFZ-SFHVURJKSA-N 473.599 1.839 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1595778379 YZCUKSXCKSOTDH-QGZVFWFLSA-N 491.570 1.990 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)C1 1595975988 AQTOEBWNEKEMKN-HXUWFJFHSA-N 470.599 1.946 30 10 JDEE CCCS(=O)(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1635356326 GUKPBSYGPKLPKK-OAHLLOKOSA-N 452.964 1.885 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(CN3CCN(C(C)=O)CC3)cc2)cc1 1637385576 WLQNDXIKTYCLRV-UHFFFAOYSA-N 454.552 1.515 30 10 JDEE COC(=O)CCNC(=O)[C@@H]1CS[C@H](C)N1C(=O)CSc1nc(C)c(C)c(C)c1C#N 1638590230 GCICBRHYOOOBPC-ZBFHGGJFSA-N 450.586 1.940 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc(C(=O)NCC(F)(F)F)n(C)c2)c1 1660875085 UHFCBPLWMZDQPP-UHFFFAOYSA-N 456.446 1.558 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2Cl)CC1 1670882492 PLVLOHDRTYZQAS-INIZCTEOSA-N 457.980 1.870 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CC2(O)CCOCC2)c1 1689869067 ZYJOZLSAKBIDHR-VWLOTQADSA-N 483.569 1.528 30 10 JDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1689961465 YVBUKPNHSDGABZ-MRXNPFEDSA-N 454.556 1.740 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1689978123 NBCIVUXDKKEREN-ROUUACIJSA-N 489.598 1.519 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(C[S@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1689993655 JCEDLRGOSAWPAX-KEEVHDRGSA-N 460.625 1.784 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1689994174 SMNFLSBJPCOJSV-LJQANCHMSA-N 453.572 1.359 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1689994291 VQOZVOLTSHNQSC-APWZRJJASA-N 452.627 1.425 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc3cccnc23)CC1 1690112222 RQHQRDGVKWELFL-QGZVFWFLSA-N 453.572 1.240 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccccc2OC)CC1 1690137524 BYFAKHBZHIXVHC-VWLOTQADSA-N 467.570 1.953 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2C[C@H]2C)CC1 1690139588 STPRMTIAZNJFFR-YLJYHZDGSA-N 484.626 1.817 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCNC(=O)OC(C)(C)C)CC1 1690153869 FBLVNDUXWUUVOP-OALUTQOASA-N 490.605 1.493 30 10 JDEE C#CCSCCn1c(C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1690157966 UBNCVQCVBIYPRA-QGZVFWFLSA-N 483.660 1.861 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1690239649 ZDKAQGCZXRQFHH-CZYKHXBRSA-N 490.649 1.726 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1690243375 JZTKZPNZZNVQKY-PKOBYXMFSA-N 463.608 1.425 30 10 JDEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1690256225 GXGPXQLNUOMVSE-ZZEZOPTASA-N 450.503 1.854 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN2CCOCC2)C1 1690432301 AKDFQDORGKJAPK-MOPGFXCFSA-N 451.637 1.941 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1690700543 UFSGADNHVJYADP-OALUTQOASA-N 461.588 1.862 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1690722218 BGKBSZXTCODGSX-UHFFFAOYSA-N 492.627 1.119 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ncccc2F)CC1 1690723148 JMYCVKQAPHRCOR-KRWDZBQOSA-N 477.566 1.081 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1690746878 LVJVINXTLDYFHN-SFTDATJTSA-N 491.683 1.955 30 10 JDEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCNC(=O)c2ccco2)CCO1 1698490643 FCJVWZRZUGINQM-ZDUSSCGKSA-N 460.292 1.787 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cccs1 1705495348 OOXCPGQTDHNSLC-QMTMVMCOSA-N 453.590 1.038 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1705531907 AKANTBLSPQCWJE-IBGZPJMESA-N 485.610 1.955 30 10 JDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCN1CCC[C@@H]1CO 1705551228 JRYCHNAFRBYFOH-WOJBJXKFSA-N 476.622 1.893 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CC1(CS(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1705564483 OSRYRMYYLZVJSD-INIZCTEOSA-N 480.587 1.536 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(=O)Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1705567178 VLMZGWYYSBYBGB-QGZVFWFLSA-N 456.503 1.678 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1N1CCOCC1 1705598298 GMUSGQDIVCDYSX-OAQYLSRUSA-N 467.595 1.528 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2Cc2ccc(C)n(C)c2=O)n1 1705631668 LYEVPHOTUFKOJG-UHFFFAOYSA-N 460.542 1.811 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(=O)NCC(F)(F)F)CC1 1705636451 KOAAATKRBZNLSI-UHFFFAOYSA-N 466.464 1.396 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC(=O)NCc2ccco2)CC1 1705642951 NKCSMWXTYOFXIA-UHFFFAOYSA-N 452.490 1.661 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)cc2)CC1 1705648654 VQLWAJAHEOOXLS-LJQANCHMSA-N 471.583 1.203 30 10 JDEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1 1705755869 ZJZFRMYJRQLJNY-KRWDZBQOSA-N 491.980 1.995 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nc(C)cs2)CC1 1705781618 DOSNCWMVTUNQAN-MRXNPFEDSA-N 452.606 1.827 30 10 JDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1705843808 ODGYFTXGPNKJRU-HNNXBMFYSA-N 450.565 1.057 30 10 JDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1705901797 WUOKEYKPMUBACM-WIYYLYMNSA-N 457.623 1.617 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1705928796 UVYPCPIMXAHRBP-QGZVFWFLSA-N 475.571 1.391 30 10 JDEE CC(C)NC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C#N)C1 1706645939 DGADAAWPBILUBG-SJORKVTESA-N 461.567 1.646 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1722363718 BJDLIBLEEMEQHP-HXUWFJFHSA-N 456.547 1.611 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1722372585 ZWADBSPZYZKTOQ-JKSUJKDBSA-N 465.601 1.321 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2[nH]ccc2c1 1722395934 DPYPKSBLENMCBE-QFIPXVFZSA-N 480.594 1.798 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1722454460 LJSMPQYTBQBLLT-INIZCTEOSA-N 476.628 1.229 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1722686086 RQAAEBITNKMSOU-IBGZPJMESA-N 474.587 1.150 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722727216 GTRWMIFJLJYAGL-QFBILLFUSA-N 496.611 1.405 30 10 JDEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NC)CC1 1722738355 HJDDUQMMCKWORE-QGZVFWFLSA-N 495.650 1.967 30 10 JDEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 1728676606 FUSLWEAGWKVUCK-QFIPXVFZSA-N 471.587 1.448 30 10 JDEE Cn1cc(Nc2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N2CCSCC2)cn1 1729578323 DZDHNYUIVGNIFZ-UHFFFAOYSA-N 458.573 1.672 30 10 JDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1730730768 ADVXURIZNHQOHE-QFIPXVFZSA-N 464.574 1.805 30 10 JDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCNS(C)(=O)=O 1740609512 JZOUMIFSXRZRME-UHFFFAOYSA-N 454.597 1.401 30 10 JDEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(O)CCN(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1740616957 JNNKGUDXCXXBPR-OALUTQOASA-N 451.637 1.654 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740617697 VOKLCPHOHILBQL-NHCUHLMSSA-N 485.610 1.306 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCC(=O)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1740625929 JESSQVFGPVOGBR-QZTJIDSGSA-N 451.593 1.057 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1740626304 ACNBYCTZXOTAOK-IBGZPJMESA-N 471.583 1.403 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@H]2NC(=O)CC2(C)C)n1 1740688422 FUJQQVBXOTVXLU-HXUWFJFHSA-N 462.558 1.738 30 10 JDEE C=C(Br)Cn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@]1(OC(C)C)CCOC1 1740749378 TVMCWUXAYFKTCT-IBGZPJMESA-N 472.384 1.522 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cc(Br)cn1 1740767488 VLUXCRSSZXRTOR-ZDUSSCGKSA-N 460.402 1.950 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1740867992 BFVAOQAVAWBYJO-CYBMUJFWSA-N 468.609 1.561 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740953897 UZHDOQGZIYVFED-ZBFHGGJFSA-N 462.457 1.783 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1740959608 AVUFIBBSRUYRIK-AWEZNQCLSA-N 480.978 1.211 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1740960212 NIFOAAAIGUTGTL-HHXXYDBFSA-N 477.562 1.588 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CC(=O)NC)CC1 1740986556 AGMJABJHXYOWDX-UHFFFAOYSA-N 499.435 1.989 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1 1740986903 KKPXGSFQFVAAIY-HNNXBMFYSA-N 472.564 1.393 30 10 JDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1741001579 XZQJRXGZSLNIRU-QGZVFWFLSA-N 471.587 1.690 30 10 JDEE CC(C)CN1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)C1 1741555471 GHHQKDYVRZFUES-WFXMLNOXSA-N 452.600 1.990 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1748808830 OFIHKDYASPBQJS-SFHVURJKSA-N 473.555 1.423 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1748809335 SESNPMBMROGLQB-IIBYNOLFSA-N 482.509 1.325 30 10 JDEE C#CCN(c1nnc(-c2ccc(Br)s2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1748809960 XXYYBOXDKDBKNX-LBPRGKRZSA-N 471.402 1.921 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(CC)(CC)SC)[C@H]1CCS(=O)(=O)C1 1748817151 FYDSDNSEHBTYOY-SJORKVTESA-N 488.701 1.729 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748819936 VBLMIHDSTMTNTJ-IBGZPJMESA-N 487.626 1.809 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@@H](C1CCCCC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748824362 OQGKRVYHJVIDPT-UXHICEINSA-N 451.637 1.952 30 10 JDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc2c(c1)C(=O)NCC2 1748855591 DIMCLKQMAYTAOT-UHFFFAOYSA-N 458.547 1.677 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C2CC2)ccc1F 1748860177 XKGJNBCKEGYIGT-OAQYLSRUSA-N 471.558 1.749 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCSC1 1748947944 ATXDGGFRHQLKOC-OAQYLSRUSA-N 463.991 1.816 30 10 JDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCCCC2)nc1 1748969286 SDTSPYHRYFMOPY-UHFFFAOYSA-N 451.575 1.920 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2CC2CCS(=O)(=O)CC2)n1 1748971151 FLBSVZAMEOPJHL-UHFFFAOYSA-N 460.604 1.853 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1749015633 ZROZKEREPXGFFE-FQEVSTJZSA-N 482.560 1.246 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCc2nn(C)c(=O)cc2C1 1749118438 GJHOUJJCKHHPRU-WWMYMODYSA-N 458.563 1.640 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)NCC)CC1 1749119539 UBHIBLKNZZZOGA-HKUYNNGSSA-N 468.562 1.758 30 10 JDEE C=CCCCCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1749408171 FTHRNLNOCMUTDZ-HSZRJFAPSA-N 462.595 1.861 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749682187 PGFZSWZMFNBCSA-QMHKHESXSA-N 473.578 1.511 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCOC[C@H]1C 1749723940 DFARFJGDYSVYPF-CYBMUJFWSA-N 458.382 1.872 30 10 JDEE CC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1 1749875416 BPFZVRGOVNNUJD-NJMQIMEOSA-N 499.616 1.780 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1760183347 OPDCSCHNSJVWGF-GCJKJVERSA-N 460.556 1.386 30 10 JDEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1760187084 HQPRCNKBSBEEQY-IBGZPJMESA-N 487.630 1.240 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(CC)s2)CC1 1760260796 BSJSSLYEZNHOSJ-LJQANCHMSA-N 478.644 1.038 30 10 JDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCCN2C(=O)NC3(CCCC3)C2=O)CC1 1760261536 NAIIYOWWZIWCQM-UHFFFAOYSA-N 455.607 1.877 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(COCCOC)cc2)CC1 1760261979 UBBMTYLLKFULRG-QFIPXVFZSA-N 487.626 1.147 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(NC(C)=O)nc2)CC1 1760270544 YYXIYMHSKDHPRW-HXUWFJFHSA-N 465.558 1.540 30 10 JDEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1760330241 WJEMDHUSEKNSBE-NRFANRHFSA-N 456.609 1.661 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1760517268 ICDKRUNLMRFVPC-JOCHJYFZSA-N 466.502 1.641 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](C(=O)OC)C1 1760552767 AHBCXJFAKKGXGN-MRXNPFEDSA-N 462.528 1.664 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1760558367 NDGWIEJUJAKEQC-JSXRDJHFSA-N 495.690 1.954 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCOc1ncccc1F 1761234222 HMWWMRFNLMIIFF-UHFFFAOYSA-N 479.520 1.623 30 10 JDEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1)OC 1762337028 DVCHDWJQPQEPGE-FQEVSTJZSA-N 453.547 1.816 30 10 JDEE C[C@@H]1SCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)[C@@H]1C 1763288473 CGSINOTXBMTRJZ-CVEARBPZSA-N 464.617 1.950 30 10 JDEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CC1 1770690075 DRPIITZKIGGUFS-XMMPIXPASA-N 484.557 1.266 30 10 JDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1772566875 WNZPERZXHSRUOJ-ICSRJNTNSA-N 457.623 1.665 30 10 JDEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)CNS(=O)(=O)c3ccc(C)cc3)sc2c1 1866113383 FYQSPYYANFGVGD-UHFFFAOYSA-N 480.593 1.986 30 10 JDEE COc1cccc(-n2nnc(C#N)c2NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c1 1870140447 RUSZQMRGYJYDEH-UHFFFAOYSA-N 466.454 1.542 30 10 JDEE C=CCn1cc(OCC(=O)Nc2ccc3c(c2)OCO3)c(=O)cc1CSc1nnnn1C 1870264357 AWKQKTAXXZGMOD-UHFFFAOYSA-N 456.484 1.596 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4c3nnn4-c3cccc(F)c3)CC2)cc1 1891354295 GMNVCASHHVKHIK-UHFFFAOYSA-N 464.486 1.732 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2224097155 XEHUFAQSPOGLLY-UHFFFAOYSA-N 453.370 1.768 30 10 JDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCNC(=O)OCc2ccccc2)OC1(C)C 2243415792 BTQQQCYZPPWCKB-UHFFFAOYSA-N 481.405 1.788 30 10 JDEE CC1(C)OB(c2scnc2CS(=O)(=O)N(CC(N)=O)Cc2ccccc2)OC1(C)C 2247901549 LYWQXVQPSUDWRJ-UHFFFAOYSA-N 451.379 1.260 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255947589 BIHGJUSYMHLBIQ-ZIAGYGMSSA-N 474.410 1.306 30 10 JDEE CC(C)(C)OC(=O)NCC[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCO1 2267140348 BPRPRGYONOUIJQ-AWEZNQCLSA-N 450.345 1.465 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C[C@H]1O 2267547690 NDXKFXKZADSCLB-BPLDGKMQSA-N 467.397 1.836 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)n1 2267707797 YDLVPXSIFGEQCL-HNNXBMFYSA-N 470.401 1.301 30 10 JDEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 2268633342 RSPTUTZGEJRCJD-AWEZNQCLSA-N 467.397 1.774 30 10 JDEE CC(C)(C)OC(=O)N1CC(N2CC(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)s3)C2)C1 2268987075 KUDZSPDPFXAFRV-UHFFFAOYSA-N 464.397 1.932 30 10 JDEE Cc1nn(C)c(C(=O)N=c2nc(CNC(=O)OC(C)(C)C)[nH]s2)c1B1OC(C)(C)C(C)(C)O1 2281980547 CDCUSRAQXBSSKW-UHFFFAOYSA-N 478.384 1.578 30 10 JDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCO1 2282016196 UWOWHAIJMHQHBA-ZBFHGGJFSA-N 462.356 1.530 30 10 JDEE C[C@H](O)CN(CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(=O)OC(C)(C)C 2282045623 ZLIQTIZHZBBLCX-AWEZNQCLSA-N 467.347 1.868 30 10 JDEE CC(C)(C)OC(=O)N1CCC(NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)CC1 2282057966 NOFKVQFUGKZLNX-UHFFFAOYSA-N 463.340 1.564 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@H](C)N1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282101982 GWFVHGHVXKSPAC-ZNMIVQPWSA-N 463.388 1.973 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 2282183559 IILIZICUEXPMBA-FPTDNZKUSA-N 461.372 1.634 30 10 JDEE Cn1[nH]c(CNC(=O)OC(C)(C)C)nc1=NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282341804 XUGKYIDSCSISKT-UHFFFAOYSA-N 499.424 1.423 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C1 2282587275 KISRQNBWBXJTGS-GJZGRUSLSA-N 464.372 1.128 30 10 JDEE Cn1cc(C(=O)NC[C@@H]2CO[C@@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282589266 ZYHFWGZZGAKYPB-HUUCEWRRSA-N 464.372 1.379 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[C@H]2NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282829182 AVUUJHCIXABRNN-BMGDILEWSA-N 479.408 1.915 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2282850966 VPGTVTUPDVPWBS-IJEWVQPXSA-N 482.412 1.253 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2COCC[C@@]2(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2283976186 ZWNRENVJARKIOC-LRTDBIEQSA-N 480.396 1.471 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@H]1[C@@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C 2333600527 FNEMEEGYEFXKAK-LTIDMASMSA-N 470.567 1.421 30 10 JDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1[C@@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C 2359268166 XRJPMYBGIYENGS-YQQAZPJKSA-N 482.408 1.427 30 10 JDEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3nnc(C)s3)n2N)cc(OC)c1OC 20920387 MZQMYGGUNMDVDW-FBCYGCLPSA-N 479.548 1.354 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)CC1 33233791 DZBZIVODUDXCQI-UHFFFAOYSA-N 486.594 1.580 30 10 JDEE O=C(NCC#CCOc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 90730813 WFWBGMRMKAOEOV-UHFFFAOYSA-N 458.492 1.248 30 10 JDEE O=C(NCC#Cc1ccc(N2CCNC2=O)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 96351081 HWSDBWVKDJGAFW-UHFFFAOYSA-N 468.535 1.019 30 10 JDEE Cc1nnc(-n2cnc(I)c2I)c(C(N)=NO)c1C 311379236 MHXGLMBUMCJFEO-UHFFFAOYSA-N 484.039 1.583 30 10 JDEE N#Cc1cccc([C@H]2CN(C(=O)c3cc(S(N)(=O)=O)ccc3N3CCOCC3)CCO2)c1 1137993754 APUXMZZDAHJODI-OAQYLSRUSA-N 456.524 1.256 30 10 JDEE Cn1c(=O)c2nc(Br)n(Cc3cc(C#N)ccc3Br)c2n(C)c1=O 1165214114 HPDMZQHPQMJYMG-UHFFFAOYSA-N 453.094 1.879 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(S(=O)(=O)NC)c1 1286272173 ZJLZLIAEOWIMTQ-OAHLLOKOSA-N 453.528 1.340 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCS(=O)(=O)N1CCSCC1 1286280556 ACKCHYWGPQNULN-CQSZACIVSA-N 455.009 1.830 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)N1CCOCC1 1286396022 CGSLASNHUJPRBP-GOSISDBHSA-N 454.962 1.655 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCCC1(C)C 1286431466 OAFZEGOJQDXFLS-AVRDEDQJSA-N 463.604 1.015 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H]2COCCO2)CC1 1286492556 LTWZIUDPSOACKU-SFHVURJKSA-N 486.598 1.041 30 10 JDEE C#CCSCCn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286511978 GPIVYJDNIWRYCB-CBGDNZLLSA-N 452.577 1.045 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](C)C1 1286540812 DUIICEMRFIZPDX-HUUCEWRRSA-N 462.414 1.246 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(F)F)CC1 1286816400 INDXMANHENJTKK-UHFFFAOYSA-N 469.514 1.662 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1300362987 BLQUEZMFYAHUAH-QGZVFWFLSA-N 464.661 1.987 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1300383751 GXDZMWCKQBIXSK-INIZCTEOSA-N 462.551 1.403 30 10 JDEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1300404006 SBBAJVYPXBGDCQ-UHFFFAOYSA-N 497.625 1.996 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1300412102 YAZVVZZSCQJXKM-FHWLQOOXSA-N 453.609 1.666 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1300479889 UIUPTORNBWGREO-IAGOWNOFSA-N 463.629 1.983 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCC(=O)NCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300496245 OSZZYIPJTFBOMJ-RTWAWAEBSA-N 485.610 1.853 30 10 JDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1300775863 BJZFDMUYZAFXQF-INIZCTEOSA-N 450.586 1.855 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCN2C(=O)NC[C@H]2C1 1301485602 ZISWVNKZVYMFBR-ZDUSSCGKSA-N 490.362 1.232 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1301509329 GEUFUZLIPGXYQL-GXTWGEPZSA-N 472.493 1.728 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1301510370 VVPKAIRGQIPTAU-GOSISDBHSA-N 453.547 1.332 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@@H]2C1 1301529877 NWXHUMSMHMPAKR-MJGOQNOKSA-N 476.603 1.022 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1301584829 FBCUWWXPBQJOHT-GOSISDBHSA-N 460.604 1.990 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1 1301588382 YNQZBXGLNLBBSE-UHFFFAOYSA-N 458.993 1.358 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCC[C@@H]2C)CC1 1303458704 DJZBGXNSDKXORT-FQEVSTJZSA-N 464.618 1.948 30 10 JDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1(C(=O)N(C)C)CCCC1 1359023255 FEMVDDVYQJHFSG-UHFFFAOYSA-N 456.547 1.740 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2COc3ccccc3O2)CC1 1359040680 DGENAMNMMGMKGY-ICSRJNTNSA-N 483.569 1.808 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1359047239 XMYQNMXAYZSVFR-VQTJNVASSA-N 453.591 1.921 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1359102572 CUBXWFUSOJQNRI-SJBKTWHCSA-N 491.662 1.887 30 10 JDEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1359135309 YYOQKFQEJMDEQN-UHFFFAOYSA-N 498.563 1.067 30 10 JDEE CC(C)(C)S(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1359586994 DPZDNQLCUHXRSR-MAUKXSAKSA-N 461.544 1.733 30 10 JDEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCC1 1360283873 FEUIRVCGSZDOHZ-UHFFFAOYSA-N 474.587 1.657 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(S(=O)(=O)NCCN(C)C)c3)cc2C1=O 1447520861 OJZFOGJFYQSGGQ-UHFFFAOYSA-N 456.524 1.561 30 10 JDEE C=CC[C@]1(C(=O)N[C@H]2CC(=O)N(CCN(C)CCOC)C2)CCCN1C(=O)OC(C)(C)C 1468667781 BMELPDLRJPMATM-FDDCHVKYSA-N 452.596 1.628 30 10 JDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOc2ncccc2F)CC1 1503827663 GGXSIVKLJFCPPZ-UHFFFAOYSA-N 480.504 1.803 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(OC)CCOC2)c1 1507548507 SVIPNUNNFTWXIG-RUZDIDTESA-N 489.536 1.787 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1507575462 RUCMXVWLBWZMTG-HNNXBMFYSA-N 480.541 1.542 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1507628400 OFDICYGDYRBMMN-MOPGFXCFSA-N 472.567 1.934 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507635212 UIJAIPCMJRXITC-ICSRJNTNSA-N 475.590 1.355 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1507635553 XECSMAYLZYEMDX-LJQANCHMSA-N 475.546 1.477 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507639890 MVINKZRPJFVEKY-IBGZPJMESA-N 476.647 1.292 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@](C)(O)C(C)C)CC1 1507737606 AMWYGQGURIFPCP-SANMLTNESA-N 494.644 1.825 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507798418 NXTWHWAGKLTITB-OFNKIYASSA-N 474.650 1.829 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCc2ccccc21 1508039697 PIUNZHLUAOEHKQ-TZIWHRDSSA-N 475.615 1.980 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1508075991 WRRCJCURBJEONC-OAHLLOKOSA-N 459.352 1.514 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1508135000 CMNVLCRYUNXUOP-DENIHFKCSA-N 486.642 1.535 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1508144848 IBGDFVMVGSKHPV-UHFFFAOYSA-N 465.551 1.308 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1508153357 YERILWDGPUDDOA-LSDHHAIUSA-N 474.653 1.911 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCOC4)n3C[C@@H](CC(C)C)N(C)C)CC2)c1C#N 1511661960 HZPJWJDMVNMDQF-VQTJNVASSA-N 469.638 1.999 30 10 JDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1 1516945243 CBDHDGNURGEPGZ-NRFANRHFSA-N 478.601 1.461 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCS(=O)(=O)CC)c1 1539039516 DALWMCRDEOLMDM-UHFFFAOYSA-N 452.540 1.831 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCC(=O)N2CCOCC2)c1 1539046628 XCROKNXEIALCLK-HXUWFJFHSA-N 466.542 1.435 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1sccc1C)[C@H]1CCS(=O)(=O)C1 1539222117 TUQCQCPMPOHMCW-IRXDYDNUSA-N 482.653 1.420 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(CC)n1 1539326061 QXXCMXCIMCFGBY-SFHVURJKSA-N 476.628 1.336 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539391181 ALAUTLGPPLGTME-RBUKOAKNSA-N 461.563 1.842 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1539462962 QHBBTAAYSAERTM-UXHICEINSA-N 469.634 1.600 30 10 JDEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1539766978 HHFOZPZBVRZQDK-RBUKOAKNSA-N 464.613 1.907 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1539802418 XLWZUQIKGJKWGS-FPCVCCKLSA-N 488.010 1.661 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1540858032 CJOJAXXKQMSSRP-YLJYHZDGSA-N 476.603 1.521 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1540867654 CIYRITJGJIUCIT-UHFFFAOYSA-N 492.584 1.636 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1540870702 UOGDOIABNXGGPU-IBGZPJMESA-N 481.605 1.107 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1540874810 SMOHSQSPPMEVCV-HNNXBMFYSA-N 491.390 1.979 30 10 JDEE C=CCOc1ccccc1Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1540881683 PVCPHVABUKRCQH-HSZRJFAPSA-N 491.614 1.625 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C2CCCC2)CC1 1540897175 CJBZXVQFHNKICV-UHFFFAOYSA-N 464.636 1.570 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1540899179 GFUBXFATCXPTGH-NRFANRHFSA-N 456.528 1.448 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1540907340 STVQQCPKEYVASD-QHCPKHFHSA-N 488.589 1.978 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3C[C@@H](CC(C)C)N(C)C)CC2)c1C#N 1543001793 CGNJCQCKXVMUQW-UYAOXDASSA-N 482.637 1.446 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC(CNC(C)=O)CC3)nnc12 1558918515 XCPNRHCFVBZMQC-UHFFFAOYSA-N 454.556 1.697 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(CC(F)(F)F)CC1 1587562436 PDPSQTLLMGFZEI-ZIAGYGMSSA-N 450.531 1.621 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCOc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1588053294 CDXXTNBIBVCAHN-QZTJIDSGSA-N 457.556 1.243 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1588065293 WBAIBNAVSAYYNN-IBGZPJMESA-N 473.599 1.373 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1588084694 USZTTYYSBQMOEN-ZWKOTPCHSA-N 490.630 1.751 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](c2ccco2)N(C)C)CC1 1588752439 SMJXJRTYRSCFEK-YKSBVNFPSA-N 456.591 1.970 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(OC)c2OC)CC1 1588930201 PLQSGOLQBLTJAL-LJQANCHMSA-N 453.543 1.813 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(OCC(N)=O)CC2)nnc1[C@]1(OCC)CCOC1 1589581427 SESIZFJSZGWHGP-NYDSKATKSA-N 463.579 1.382 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1589664309 XRYWKVNPODIJMK-HTAPYJJXSA-N 499.634 1.539 30 10 JDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(C(C)=O)CC1 1593718271 RQONSDDGZRHXIZ-UHFFFAOYSA-N 451.535 1.572 30 10 JDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1594824788 PZZPCMJMGQJOTF-OAQYLSRUSA-N 460.560 1.893 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1595466761 MSWXUYOGQSSIAC-MSOLQXFVSA-N 459.595 1.338 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCS2)C1 1595728420 BOWKVNOEEMMUPM-BRWVUGGUSA-N 457.622 1.288 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC(=O)NC(C)(C)C 1595777859 RWVZUJWIYWTZQQ-UHFFFAOYSA-N 463.560 1.626 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](C(N)=O)C1 1595811849 CUXQAKFXUZLVGV-MRXNPFEDSA-N 456.572 1.653 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1595811996 JXJWIFLAMQINEN-UHFFFAOYSA-N 487.655 1.952 30 10 JDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C(=O)NC)C1 1595900466 CGCSHXPKZMEAMH-AWEZNQCLSA-N 450.590 1.140 30 10 JDEE C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](O)CC[C@]34/C=N/NCCO)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 1614467856 KRTLUNZEHYQHDL-VOPKZDFLSA-N 462.587 1.267 30 10 JDEE COc1cc(OC)cc(-c2nnc(N3CCC(C#N)CC3)n2CC2(C(N)=O)CCOCC2)c1 1619128697 HRYYIEWWVWWKRJ-UHFFFAOYSA-N 454.531 1.984 30 10 JDEE C#CC[C@@H]1CCN(CC(=O)N(CCCOC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1620573097 ANFWOQAVWMZTCZ-GOSISDBHSA-N 453.543 1.294 30 10 JDEE COC(=O)c1cn(C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CC2)nn1 1624850054 HXHRLKUKFKSUDC-CQSZACIVSA-N 456.890 1.806 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)cc1 1627548018 URXZPDGLUXMJKZ-UHFFFAOYSA-N 458.521 1.440 30 10 JDEE CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1633233746 GJJMBEZEFINYBH-GOSISDBHSA-N 457.560 1.204 30 10 JDEE N#Cc1ccc(C(=O)N2CCN(CCS(=O)(=O)c3ccc(Br)cc3)CC2)[nH]1 1633855355 DCKNOUZTRQEUCU-UHFFFAOYSA-N 451.346 1.881 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 1636270351 DPUWHYYDIJMBEI-INIZCTEOSA-N 454.556 1.459 30 10 JDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1)c1ccccc1 1636558187 WRTDQFZEEQVZDE-SFHVURJKSA-N 458.496 1.994 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 1662232279 YHRIJWHCPAWEOT-UHFFFAOYSA-N 458.496 1.657 30 10 JDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCS(=O)(=NS(C)(=O)=O)CC2)cc1 1666389961 SNLVLPKJECRXGV-UHFFFAOYSA-N 454.574 1.776 30 10 JDEE C=CCCC(C)(C)CNC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1675066881 ZLUSLCRSWZJVRK-UHFFFAOYSA-N 458.606 1.342 30 10 JDEE C#C[C@@H](NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1)C1CCOCC1 1687125831 AHUXRBINGSMOFR-MKXGPGLRSA-N 462.547 1.639 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCCS1(=O)=O 1689835066 FNOHJPAXEGKYDO-OAHLLOKOSA-N 463.560 1.464 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(C)(C)C)nc1 1689852134 AYFAGUHFFRECNC-FUHWJXTLSA-N 476.603 1.690 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)C2CC2)c1 1689873268 CKJUSSICILTAAW-UHFFFAOYSA-N 474.569 1.722 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(O)(CCC)CCC)[C@@H]1CCS(=O)(=O)C1 1689988194 KTJFWQAVRWFFFD-SJORKVTESA-N 451.593 1.187 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1689994491 ZGTYKAKFQDODPW-NRFANRHFSA-N 478.578 1.299 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1689998221 GCOBVEYXICNRBB-SCTDSRPQSA-N 479.628 1.636 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCS(=O)(=O)C1 1690031433 KAVSWBGWMYEDDG-GOSISDBHSA-N 473.986 1.759 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCC(OC)CC2)CCCC1 1690059012 HCCVFBKFXJJGHO-GOSISDBHSA-N 466.652 1.771 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCS(C)(=O)=O)CC1 1690111894 LPGAZAJSGIJBLB-MRXNPFEDSA-N 451.980 1.871 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCCCS2(=O)=O)CC1 1690113297 FSSAZNNXVXSDKQ-KRWDZBQOSA-N 495.447 1.769 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCS(=O)(=O)NC)CC1 1690119622 LPMPROVOYZONHJ-UHFFFAOYSA-N 467.393 1.012 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1690236742 QOUMXQSWCBJVOJ-ICSRJNTNSA-N 477.635 1.936 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1690240677 JFHVRHLQOLLMND-DQLDELGASA-N 471.558 1.895 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC2(CC1)COC(=O)N2 1690661957 MJQPIESTIWJKNS-UHFFFAOYSA-N 456.503 1.343 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(Br)c1 1690670776 ITLDTDOJCWWCDM-HNNXBMFYSA-N 482.404 1.881 30 10 JDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC)CC1 1690683085 BBTJKIMYWPSCQN-UHFFFAOYSA-N 454.531 1.902 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1690725146 HIJSBRRXDPDGMZ-HXUWFJFHSA-N 477.606 1.767 30 10 JDEE Cc1ccc(OCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)cc1 1693155894 BHLHOCUSZINDRY-HKUYNNGSSA-N 462.576 1.594 30 10 JDEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1705511829 HNXOKUFARKHFAV-UHFFFAOYSA-N 471.928 1.876 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1c(CC)nn(C)c1CC)[C@H]1CCS(=O)(=O)C1 1705559043 PBHKAQRHFOIOOT-KRWDZBQOSA-N 487.630 1.047 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCCN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1705571450 ZLCAXKHMRWDHCI-OAQYLSRUSA-N 478.707 1.911 30 10 JDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCCS1(=O)=O 1705603111 NSLYUQKVXJLTQB-UHFFFAOYSA-N 464.979 1.357 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCN(C)C(=O)OC(C)(C)C 1705621607 INVDLLRDQBNYSF-UHFFFAOYSA-N 457.535 1.878 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCS(C)(=O)=O)CC1 1705644945 HISVGNXXRGZKIR-QGZVFWFLSA-N 491.589 1.958 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(N(C)C)CCOCC2)CC1 1705653024 WSTIEYVAEQLVNY-SFTDATJTSA-N 488.633 1.079 30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCOCCS(C)(=O)=O)CC1 1705764570 DUYIRMMXVPITJD-UHFFFAOYSA-N 497.643 1.413 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1705819000 AQFIARPFDUNYAB-WBVHZDCISA-N 467.617 1.991 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(C)COCCO2)C1 1705919342 BXJKNPODCDASBF-GCJKJVERSA-N 462.572 1.935 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)cc2)CC1 1705934561 PPNGQIFGLALFEJ-GOSISDBHSA-N 462.551 1.296 30 10 JDEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1722362652 VPYIRNMHRRQMQI-MSOLQXFVSA-N 471.583 1.725 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1(C(N)=O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722367548 WKHLEIGZJSBCPG-HXUWFJFHSA-N 485.610 1.086 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1722369717 FBRGUBLEENNCEU-WVGSDTFCSA-N 482.672 1.735 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1c(C)noc1C 1722427785 ZKBHTZDYDSSRRV-MAUKXSAKSA-N 480.591 1.106 30 10 JDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1722439168 RHVUVYNSPIIEOY-GOSISDBHSA-N 472.540 1.397 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCOC[C@@H]2C)CC1 1722443770 NXNKERBRLKHOFF-CPJSRVTESA-N 488.633 1.005 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCC[C@@H]2N2CCCS2(=O)=O)CC1 1722445000 RKLIKMYXTIKASW-NRSPTQNISA-N 490.674 1.962 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nncn1C 1722673361 PNMIPDXUBZCMLL-LJQANCHMSA-N 486.602 1.023 30 10 JDEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722688236 XFRDOQGXXZGTMT-UHFFFAOYSA-N 488.350 1.141 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1722730910 HFGHLTZNLYBLJV-WMQCIHAUSA-N 491.614 1.886 30 10 JDEE CC(=O)Nc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cc1 1722803895 HSALNJWTSQJRAM-UZLBHIALSA-N 489.602 1.550 30 10 JDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC2)CC1 1727101106 BBDZKJBSVXSTOV-ICSRJNTNSA-N 451.575 1.890 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2CCc2ccccn2)C1 1731012303 FNQZPNJQCUNBFF-LJQANCHMSA-N 459.576 1.379 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740617234 OHJDNDVUZCDTBO-JTAQYXEDSA-N 479.647 1.430 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1740618802 KJCASPQGTFQHIV-FXAWDEMLSA-N 477.568 1.348 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1740619085 FWHBJPWRKLUJGH-INZIPBBXSA-N 480.612 1.358 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(C)c1 1740657130 QHCIWUVVMIBWRK-HXUWFJFHSA-N 453.568 1.382 30 10 JDEE 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CCNC(=O)C(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1502389321 AFLIRLIDIJDEDX-UHFFFAOYSA-N 490.616 1.895 30 10 JDEE CS(=O)(=O)CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1505133914 HMDILJWXRDJJGO-KRWDZBQOSA-N 492.627 1.112 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1507538223 KZLQCKIEBVKHIV-NSHGMRRFSA-N 486.598 1.122 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN2CCOCC2)c1 1507539226 SNEPNTYDUDAHFZ-RXVVDRJESA-N 457.600 1.519 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1507625942 LSIBNZCLNHNSNT-QGZVFWFLSA-N 472.596 1.983 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1507720661 MIZCVSSCPQRJJA-FQEVSTJZSA-N 494.415 1.012 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2ncn(C)n2)CC1 1507739797 FPHQTMVYCZPUKU-UHFFFAOYSA-N 462.558 1.617 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCc2ccccc2)CC1 1507752046 UNAMVCCPAKKRDX-NRFANRHFSA-N 473.668 1.911 30 10 JDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1507780634 ZTDZAQBSQQBJLC-IUODEOHRSA-N 487.428 1.847 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)c2ccccc2)CC1 1507884808 MREPITJUWQTMLE-DENIHFKCSA-N 461.588 1.675 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1507904106 XDKCIENRIQYDJJ-RJCBAWPRSA-N 460.560 1.109 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1507980483 HEUYBDMSAJGEAS-OWSLCNJRSA-N 481.619 1.827 30 10 JDEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CCN1CCCS1(=O)=O 1508010776 DVZLKINAPSMQOE-UHFFFAOYSA-N 464.617 1.690 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1508070860 FMJKCHYYNUXLAS-UHFFFAOYSA-N 474.997 1.874 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1508071492 JXNGEIAKADSQAL-SFHVURJKSA-N 467.574 1.472 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ncnn1CC(F)F 1508073298 JFCMBWRZUSPKDR-UHFFFAOYSA-N 451.869 1.789 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C(=O)OC)CC1 1508135223 FWVQJCTWKUFNOZ-UHFFFAOYSA-N 478.571 1.953 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1508140306 HSEFHHJQEUJMNS-LJQANCHMSA-N 471.587 1.366 30 10 JDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2nccs2)C1 1510288211 AEYODCMMLDVHGR-KXBFYZLASA-N 465.605 1.440 30 10 JDEE CCOCc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1516438671 GPHCSAJUZZRYCS-DENIHFKCSA-N 492.577 1.638 30 10 JDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@@](F)(C#N)C1 1519529885 FIJGOUDHNQUKRX-FOIQADDNSA-N 466.514 1.862 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(F)c(F)c1 1539016414 UJZPYBIISDUIQE-KSSFIOAISA-N 469.514 1.426 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1539206927 XIJRVPMVAJGBBU-KRWDZBQOSA-N 470.555 1.769 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1539218877 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C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1540866847 CHCVYFQTYLZYRV-QHCPKHFHSA-N 470.530 1.686 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1540874274 AJUXOYYKFCIJNV-AZUAARDMSA-N 452.559 1.833 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCN(CC)CC3)nc2)C1 1540881414 ITAHZCIOSOHPGM-NRFANRHFSA-N 482.633 1.783 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)(C)C)C1 1540903235 BFSJKVLJWGICAV-DLBZAZTESA-N 489.664 1.084 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1c(C)nn(C)c1C 1540907158 MYGPMVCIGNOIBO-UHFFFAOYSA-N 460.608 1.727 30 10 JDEE C#CCN(C(=O)Nc1ccc(C(=O)N[C@H](C)C(=O)OCC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1562443624 GIOJXBKXGUJLCQ-HIFRSBDPSA-N 453.492 1.161 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCNS(=O)(=O)c2cc(C)sc2C)c1 1566523453 UNEWLBKURWZXEF-UHFFFAOYSA-N 454.595 1.870 30 10 JDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCn2c(Cc3ccccc3)nnc2C1 1586332960 HFKKPSMZMDGVBK-MRXNPFEDSA-N 450.524 1.450 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1587621220 PMYOGGBTZTVMPP-OAHLLOKOSA-N 454.556 1.617 30 10 JDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc([C@H](C)OCC)no2)CC1 1587850997 AZKVRIUGPDPSMV-DLBZAZTESA-N 456.551 1.445 30 10 JDEE C#CCCCn1c(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1587893868 JPSHBMNCZXDMJW-OFVILXPXSA-N 466.586 1.692 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CC[C@@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1588029985 NMWMUTQDYINKEE-JFIYKMOQSA-N 453.584 1.961 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1588035847 YICQSMYNGGVSLQ-CQSZACIVSA-N 497.419 1.435 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1588044673 AMYGRSWDRBLNDK-FQEVSTJZSA-N 475.578 1.953 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1588065326 WWECPMFHCXMSGG-HXUWFJFHSA-N 455.584 1.785 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Cc2ccccc2)CC1 1588138475 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C=C(Br)Cn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OCC)CCOC1 1705690586 AVSMEQYVKRVXAD-RHSMWYFYSA-N 463.398 1.852 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccccc1 1705876004 MPOYYUKLPANQQX-KNQAVFIVSA-N 461.588 1.697 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1ccoc1 1705896396 LDABJPOJGSIMAS-UHFFFAOYSA-N 458.544 1.727 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1705900147 RLURSNAZWSMOIP-OALUTQOASA-N 468.606 1.392 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1705907628 SHFBKTOZVOAUTB-MRXNPFEDSA-N 468.587 1.819 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)nnc1C(C)(C)C 1705909156 PBWFBLGNXXDMQB-UHFFFAOYSA-N 459.639 1.695 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)cc1 1705911482 JENBMODXUCZDTE-UGKGYDQZSA-N 490.561 1.666 30 10 JDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1709942853 HCIFWZWZSHNCBA-SFHVURJKSA-N 456.572 1.876 30 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C#CCNC(=O)C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@](C)(O)CC)CC1 1740706361 SNHSFYRGNLGVEA-AREMUKBSSA-N 491.596 1.802 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCC(=O)N2)CC1 1740707863 SYFRSVREOGFFCE-GOSISDBHSA-N 454.506 1.241 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C(C)C)N1CCOCC1 1740774481 TWQBERVFXAAQSX-PMACEKPBSA-N 484.667 1.370 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1740787802 LWNPINPGBMGGAH-CABCVRRESA-N 468.546 1.554 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)[C@H]1C 1740887972 NMGKLIWBFGOFKL-ZACQAIPSSA-N 459.638 1.534 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1740951401 YEFZVEKTZPOSIW-RUZDIDTESA-N 481.601 1.750 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1740952701 LLJJTGVWYPVWTG-FQEVSTJZSA-N 483.617 1.547 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1740990396 TUUNRTFQFOKJNQ-KRWDZBQOSA-N 458.588 1.744 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1740992633 SGZIVYSVUQSLDV-MOPGFXCFSA-N 465.620 1.516 30 10 JDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1741001381 SOROLCVZKYWTHC-QGZVFWFLSA-N 455.592 1.389 30 10 JDEE Cc1nc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)cs1 1742602711 AKOKVXIIJLLIPU-PXNSSMCTSA-N 479.632 1.749 30 10 JDEE CCC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1745261116 AQABNHCZMQMCKF-LJQANCHMSA-N 452.563 1.922 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CC[C@H](C(F)F)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748810240 UUSYTIGMHHGFGC-WOJBJXKFSA-N 493.580 1.928 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1748820501 CRRXLCQOBRJMKX-QFIPXVFZSA-N 495.609 1.773 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(Cl)c1 1748965622 TXMMUTFTIFEPMZ-GOSISDBHSA-N 485.969 1.538 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CC[S@@](=O)CC)CC1 1748987348 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C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNS(=O)(=O)c1ccc(C)s1 1507611199 LBWXARJYVFPZJT-UHFFFAOYSA-N 497.606 1.610 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1507631721 SIMPFJMGKDVVBE-LJQANCHMSA-N 450.524 1.114 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1507633920 VQGCMFWPRABKKM-AZUAARDMSA-N 494.614 1.579 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCN2CCCO[C@H](C)C2)CC1 1507727695 SGRSOYMQUPTLIY-HXUWFJFHSA-N 485.658 1.526 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1507733547 CCEDKADPSHOUCV-ZWKOTPCHSA-N 458.607 1.977 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(OC)CCOC2)CC1 1507735645 DIPZQKAHGBSBLM-ZEQRLZLVSA-N 475.590 1.090 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCS(C)(=O)=O)CC1 1507741004 SPABDFCMXMYJSC-UHFFFAOYSA-N 463.535 1.007 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN(C)CC(F)(F)F)CC1 1507741069 UGCZVXGJGBFALX-UHFFFAOYSA-N 480.539 1.600 30 10 JDEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NC)CC1 1507743540 FNUJXQAOQBPKQQ-UHFFFAOYSA-N 476.006 1.689 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1508041253 KIDRXEINTRQHEQ-VJANTYMQSA-N 490.605 1.892 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1508085164 DLRNHEMQWCZGRZ-INIZCTEOSA-N 496.584 1.557 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1516846128 CBCIBFMGBSEQSP-RTBURBONSA-N 460.560 1.140 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1539219061 GNYIHQVQYBSXKZ-GOSISDBHSA-N 457.535 1.294 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1539222113 TUQCQCPMPOHMCW-DLBZAZTESA-N 482.653 1.420 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(S(C)(=O)=O)cc1 1539369933 PXAQKCQFUGOWPM-MRXNPFEDSA-N 466.585 1.122 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 1539430811 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JYLMZWGUTDTDLR-UHFFFAOYSA-N 488.614 1.760 30 10 JDEE CN(C)C(=O)COc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)c1 1552744998 DNVZTMQUUICXAN-JTSKRJEESA-N 455.494 1.186 30 10 JDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)CC1 1554497888 GVWDSPJAWZPBJS-UHFFFAOYSA-N 482.589 1.301 30 10 JDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(CS(C)(=O)=O)CC2)c1 1554795783 AGONRWWAUZUTBU-SFHVURJKSA-N 461.544 1.516 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCS(=O)(=O)C1 1555544330 BAIROGMUZICXRV-HXUWFJFHSA-N 486.598 1.473 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCCCC2)nc1 1587640058 OKSCRZOFBSUMHK-ICSRJNTNSA-N 487.630 1.503 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cnn(C)c2C)c1 1587693598 UMYNKZZCQPHAGD-GOSISDBHSA-N 481.582 1.327 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)(C)C)CC1 1587861584 NMZDQBTZYCIVOC-GOSISDBHSA-N 452.625 1.335 30 10 JDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1CCCO 1587990347 WANPPBGEOHDKDW-RTBURBONSA-N 462.595 1.503 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(F)c2)n1 1588722354 AECGTFDPBJYLGD-HXUWFJFHSA-N 451.506 1.899 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CC1 1588864724 JKPXLSHYHYQBPE-UHFFFAOYSA-N 450.543 1.416 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2cccc(C(=O)NC)c2)CC1 1588969210 XLAKLUGBLLPXHK-UHFFFAOYSA-N 452.559 1.383 30 10 JDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1589484929 WEUHFZRFXNBWHI-KKUMJFAQSA-N 455.357 1.467 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1595516227 BSHPUYCCNHARCV-UHFFFAOYSA-N 487.568 1.943 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](COC)C1 1595805413 OSIJFLIKJWYLGV-VQIMIIECSA-N 464.544 1.243 30 10 JDEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOCCCO)C[C@H]2C)CC1 1596133190 CATFHXKWWQQJRB-HYBUGGRVSA-N 495.628 1.595 30 10 JDEE CC(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CCS1 1603089960 CWZPLCSUSDFXNW-WIYYLYMNSA-N 461.613 1.944 30 10 JDEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1 1617572604 GAKKKMLXUIDDNT-LEWJYISDSA-N 462.558 1.488 30 10 JDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)C1=O 1668857739 DONFEYCOARIRAC-IBGZPJMESA-N 455.602 1.659 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1689916271 FIAWWUYSRZGDPW-HXUWFJFHSA-N 483.598 1.711 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689985756 AUJIJLBIGKWMCE-BCOMRZATSA-N 451.618 1.458 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1689992079 GUPSKFKBXKMEKF-HXUWFJFHSA-N 456.547 1.922 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC1(CS(C)(=O)=O)CC1 1690003098 CYVXRGVKFPOUAN-UHFFFAOYSA-N 464.389 1.944 30 10 JDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CC[C@H](O)C1 1690058245 RCGYSOSTNHDJJG-NRFANRHFSA-N 459.554 2.000 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(F)cc2)CC1 1690077021 GYGFOTKMJLVVDV-IBGZPJMESA-N 461.563 1.941 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCn2cc(C)cn2)CC1 1690115166 VSRGSJKTGDOKDS-UHFFFAOYSA-N 482.614 1.156 30 10 JDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1690526740 CYKDDEROBILPGO-LEWJYISDSA-N 459.616 1.807 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC=C(Br)C1 1690669070 SLINUCGYCAYZMO-UHFFFAOYSA-N 484.358 1.983 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)NC[C@H]2C1 1690720611 NQGFGOBXMIWEFY-AWEZNQCLSA-N 450.952 1.413 30 10 JDEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)C(=O)NC)CC1 1695477045 HIPXKZGXPVFIST-UHFFFAOYSA-N 487.630 1.887 30 10 JDEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)C1 1695978050 GBUVHAZIFJTDPX-XXBNENTESA-N 453.547 1.598 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCC(O)CC1 1705494757 FHHAOQCZPNLWSF-WIYYLYMNSA-N 471.627 1.643 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1705558589 CEAYNADNLRWDOU-FHWLQOOXSA-N 461.588 1.122 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1705558921 LYPNTQAOXSVLOG-GOSISDBHSA-N 461.592 1.088 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 1705567584 XMWHWFWUDSGFPW-MSOLQXFVSA-N 480.587 1.303 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705568447 NQHBJNFDASXGEK-FQEVSTJZSA-N 487.630 1.169 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)C1CCCCC1 1705597936 WJTPMWMWHVPFKF-JOCHJYFZSA-N 490.674 1.729 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1705646709 OAHSHOCCUXDAOI-UHFFFAOYSA-N 466.567 1.360 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(NC(=O)OC(C)(C)C)COC1 1705717414 JJPJEIACFVQPHP-INIZCTEOSA-N 469.608 1.876 30 10 JDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705901796 WUOKEYKPMUBACM-RXVVDRJESA-N 457.623 1.617 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705903841 WKYQYFGTABGBET-GOSISDBHSA-N 489.939 1.806 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](C(N)=O)C1 1705930628 RQJBFZUKWQRTIF-QZTJIDSGSA-N 461.588 1.947 30 10 JDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1)N(C)C 1706808084 GXWDSCZLZQOVNF-NRFANRHFSA-N 494.644 1.813 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2cccn2)cc1 1712453874 BXSRIJDLSBQVDH-LJQANCHMSA-N 469.571 1.781 30 10 JDEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1=O 1712468456 DKVZOLKMUPQNSJ-HXOBKFHXSA-N 451.531 1.013 30 10 JDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)C1 1712688947 HGTLRMVNFVWZAP-HXUWFJFHSA-N 458.588 1.552 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(CC)cc1)N(C)C 1722295785 MEDQFLYTAAEDJR-YUXAGFNASA-N 488.658 1.934 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(-c2ccccc2)c1 1722296775 VDNNNOSMKKLRNK-XLIONFOSSA-N 469.571 1.303 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(=O)N(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722359964 BREXFNNNJMDQHY-LJQANCHMSA-N 473.603 1.096 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1Cc1cc(OC)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1722372101 PEAGGWMSPPIREO-SFHVURJKSA-N 474.583 1.931 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](C(=O)NC)C1 1722723934 JKOBWCSGNRASOR-SFHVURJKSA-N 483.598 1.898 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)NCC)CC1 1722726002 WQQRBDFGMOTSTC-UHFFFAOYSA-N 450.540 1.537 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS(=O)(=O)CC1 1722736968 OMMBAHPQZWVOQY-HZPDHXFCSA-N 460.622 1.032 30 10 JDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CC1 1729216037 CDHIUOURKWQESJ-UHFFFAOYSA-N 488.614 1.656 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CCCC 1740554372 YNJUORVCHUMJNB-SLFFLAALSA-N 466.652 1.724 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1740624314 HXYHJJLUFJZYCA-PMACEKPBSA-N 458.584 1.953 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(Cc2ccccc2)CC1 1740629182 DQTKEJXEVNKTMU-UHFFFAOYSA-N 482.592 1.816 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1740629669 VSVZCDJABNQCEI-HBMCJLEFSA-N 474.583 1.169 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCOC[C@@H]2C)CC1 1740710535 YMEVMXRFZJHTNH-VMXMFDLUSA-N 459.591 1.641 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1740787542 FVWATMCKTHJWKY-HSZRJFAPSA-N 488.614 1.505 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1740988050 RTCMWJXPMKZVCD-KRWDZBQOSA-N 475.571 1.374 30 10 JDEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1741038147 MARAQCXQNPOKBB-HSZRJFAPSA-N 451.531 1.266 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748819062 JUEFJWGXMMSNIL-HNNXBMFYSA-N 487.479 1.313 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccsc1)C1CC1 1749520053 XYPDJBABLCZTOX-FXAWDEMLSA-N 467.617 1.735 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1749630611 SQRCAZDOMSWYBF-NSHGMRRFSA-N 482.651 1.123 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1749721463 KQUOGUJLRDKYMS-QGZVFWFLSA-N 489.602 1.219 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)C[C@@H]1C 1749898178 BMRFHDWTYYUDJI-SFTDATJTSA-N 483.617 1.606 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1750058425 CEFZGVYHLZHFGJ-RXVVDRJESA-N 451.575 1.725 30 10 JDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCCS(=O)(=O)C1 1750647199 HLRAVFOTIPXTTD-IRXDYDNUSA-N 458.592 1.603 30 10 JDEE Cc1ccc(S(=O)(=O)NCCn2c(C(=O)N3CCCC3)nnc2N(C)C[C@@H](C)C#N)s1 1751580362 ACVYFPZQMUDMFZ-AWEZNQCLSA-N 465.605 1.458 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CCC 1760116443 HISKACJDUPAWLJ-FHWLQOOXSA-N 452.625 1.333 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC)c(O)c1)[C@H]1CCS(=O)(=O)C1 1760187363 JGNRFVJQMVXURJ-FXAWDEMLSA-N 460.556 1.909 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1760219249 YMEMKBXBFFRNKS-FQEVSTJZSA-N 455.584 1.934 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCS(C)(=O)=O 1760235087 BMLKSFZPOUHURI-KRWDZBQOSA-N 485.607 1.107 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1760268502 KUFVLSDZTKMRQH-WMZOPIPTSA-N 487.605 1.450 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1760270037 SDHMWAUBOWIXES-RBBKRZOGSA-N 471.650 1.021 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760312911 GMIVSIJYTWWPIT-MSOLQXFVSA-N 468.624 1.163 30 10 JDEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1760342292 FUHJDIUOYHNJHF-UHFFFAOYSA-N 488.499 1.589 30 10 JDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1760424961 AJYLIRYLMFZCNT-SFTDATJTSA-N 459.639 1.817 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1760517812 YTOBPGPAKVREHY-WMZOPIPTSA-N 476.603 1.501 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)C(C)C)CC1 1760519408 CGXNOOWIECERCX-UHFFFAOYSA-N 454.531 1.323 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1760521440 SKKDVIWDUJIWKJ-QZTJIDSGSA-N 454.531 1.890 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1760553538 FCDFLUGAVARFFM-CQSZACIVSA-N 461.514 1.352 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(cccc2OC)C1 1760554875 PMRRQIYTJAHOPG-KRWDZBQOSA-N 480.612 1.352 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1760555781 NILJUIPROXHYNE-IBGZPJMESA-N 492.646 1.449 30 10 JDEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)c(OC)n1 1768653479 HRZWCPNGZAKBJD-GOSISDBHSA-N 468.539 1.901 30 10 JDEE CC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccccc3C#N)nc2)s1 1858292738 MKNSUHSLKVGISH-UHFFFAOYSA-N 479.525 1.365 30 10 JDEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 1860733189 ZXAQWOYCBMKPBY-NTEUORMPSA-N 473.551 1.480 30 10 JDEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCO)cc(OC)c1O 1862612938 TWLFWKSNFANPBC-LJQANCHMSA-N 457.435 1.751 30 10 JDEE N#Cc1cnn(-c2cc(F)cc(F)c2)c1NC(=O)c1ccc2c(c1)C(=O)N(CC(=O)O)C2=O 1873684746 NLHFPLPURAWFGP-UHFFFAOYSA-N 451.345 1.955 30 10 JDEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)[C@@H]1c1ccc(C#N)cc1 1891235448 ZQXZUWWTKPDIIZ-FCHUYYIVSA-N 490.651 1.978 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2255951348 CZYQYCBNLPQIBW-UHFFFAOYSA-N 474.410 1.307 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)[C@H](O)C1 2266981561 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CC(C)(C)OC(=O)NC[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)[C@H]1CCOC1 2268700162 JYXLUKRKBSQEKQ-STQMWFEESA-N 468.385 1.375 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)OCC12CC2 2268785224 KORBXUCOQIJLAZ-LBPRGKRZSA-N 466.369 1.366 30 10 JDEE CN(C)CCCN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2281978542 FIHDLLGVHXUTTN-UHFFFAOYSA-N 465.404 1.628 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1 2282005071 NPKIMMVCQBQNJL-ZDUSSCGKSA-N 458.290 1.558 30 10 JDEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)nc1B1OC(C)(C)C(C)(C)O1 2282065343 BHOZOQSCJJFKNA-LSDHHAIUSA-N 464.372 1.067 30 10 JDEE C[C@@H]1CC[C@@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN1C(=O)OC(C)(C)C 2282302986 PULFXQGDYSKRSQ-ZIAGYGMSSA-N 485.416 1.181 30 10 JDEE C[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)[C@H](C)[C@@H]1NC(=O)C(F)(F)F 2282537419 QBRBDSFVKNOONU-YRGRVCCFSA-N 458.290 1.637 30 10 JDEE 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C=CCC[C@H](O)CN1CCN(Cc2nc(C(=O)N3CCC[C@H](C(=O)N(CC)CC)C3)co2)CC1 34677691 PQSKJMKNTZWTNP-SFTDATJTSA-N 475.634 1.840 30 10 JDEE O=C(O)C[C@H]1CS(=O)(=O)CCN1C(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21 757474522 JLJGZNXOHISYBE-KRWDZBQOSA-N 496.541 1.629 30 10 JDEE CCc1nnc(CN(C)C(=O)CSc2n[nH]c(NN=Cc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)o1 1084353725 GLTUHWYBNNSLOH-UHFFFAOYSA-N 490.462 1.763 30 10 JDEE COc1ccc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1Br 1084410146 DAJDFQROKWXMSV-UHFFFAOYSA-N 478.351 1.762 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)C1=O 1128753506 KOLPKOJPWSIPCB-UHFFFAOYSA-N 458.824 1.984 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1COCCN1C(=O)OCc1ccccc1 1266190702 GKUGLSMIEBYBGS-FXAWDEMLSA-N 450.499 1.423 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C(=O)N(C)C)c1 1286294884 GIILBEVHFUBTMB-FXAWDEMLSA-N 488.614 1.013 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)COCCO2)c1 1286310092 BDKBOOJFLHBWEE-JPYJTQIMSA-N 487.582 1.042 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1286311266 GDDHGVWSTHSLTE-ATGHGOICSA-N 489.536 1.712 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC[C@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286392822 CIYPPHTXXCHKKB-PMACEKPBSA-N 476.647 1.292 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1286465941 VAOXIPLSGPRYRX-QZTJIDSGSA-N 460.579 1.962 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCn2cc(CO)nn2)CC1 1286494494 MQYKKOVSCXEFNJ-NHCUHLMSSA-N 498.632 1.337 30 10 JDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CC[C@@H]21 1286541512 JVRFWRZCYUGFPN-QLFBSQMISA-N 460.398 1.898 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCNC(=O)C1 1286549935 BKSZGKUTBSYHMJ-MGPUTAFESA-N 457.531 1.888 30 10 JDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1286618468 BIVNGVHFMAAWFS-LJQANCHMSA-N 466.030 1.498 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286783674 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C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cnc2ccccc21 1507536760 DVTPCFBRXVVRKF-FXAWDEMLSA-N 471.587 1.509 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2Cc2cnn(C)c2)c1 1507550396 YXCSQMPEIMPXBT-DEOSSOPVSA-N 463.542 1.768 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2NC(=O)CC2(C)C)c1 1507552311 OHTUWZXGTMFMKJ-LEDOBFOHSA-N 494.596 1.973 30 10 JDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1507601398 PRQIWFZINGZHKM-LUKYLMHMSA-N 466.608 1.461 30 10 JDEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1507633335 FWTRHQRRFOXTKU-YLJYHZDGSA-N 460.556 1.844 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCC[C@]2(CCOC2)O1)[C@@H]1CCS(=O)(=O)C1 1507639537 ZGLAHERDKMVWND-LVCYWYKZSA-N 452.577 1.170 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CCCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 1507641253 ZXIILIHSFKTJRS-IAGOWNOFSA-N 469.558 1.853 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1507646568 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KHWQQRJROFAJKW-UHFFFAOYSA-N 452.625 1.312 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCOCCS(C)(=O)=O 1539002639 FXYFMCUKQMCFRI-KRWDZBQOSA-N 486.598 1.755 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(NC(C)=O)c1 1539015054 NRDWJVSHRQLENW-KXBFYZLASA-N 460.560 1.076 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539216742 WPIITSXDLKUSED-SJLPKXTDSA-N 471.612 1.726 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCS(C)(=O)=O)CC1 1539468947 KLALVFUDLDCQHD-FQEVSTJZSA-N 457.600 1.830 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1539483235 UCVIULDETNKYPK-LSDHQDQOSA-N 467.574 1.359 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCOc2cccc(C)c2)CC1 1539488557 LVGSUKWJSZQRKY-UHFFFAOYSA-N 464.570 1.754 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1539489018 POYCNQUYTKZRDF-QFIPXVFZSA-N 495.603 1.808 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1539730142 OSLWTEVXAWGELF-GOSISDBHSA-N 482.651 1.710 30 10 JDEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539772829 NQSUYDVHPXWWTB-INIZCTEOSA-N 457.922 1.047 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2N2CCOCC2)CC1 1539829350 XCVZHBPUDZTMBT-GOSISDBHSA-N 460.604 1.930 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)Nc1c(C)cccc1C 1540072872 OJYPCEGPDKSCDX-QGZVFWFLSA-N 462.576 1.489 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C2CC2)C1 1540864774 KESCJPXTJRNYGG-SFHVURJKSA-N 458.588 1.734 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1540875168 CUYJIWHERKDHTQ-GOSISDBHSA-N 474.993 1.971 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(NC(=O)COC)CC2)nnc1C1(c2ccccc2)CCC1 1540876398 QATBHIOUBWLTOX-UHFFFAOYSA-N 466.586 1.782 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1540896721 SAJSBWCUODXGHW-OAQYLSRUSA-N 486.642 1.826 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(C)=O)CC1 1540900388 UACUSFCUUBBYKJ-UHFFFAOYSA-N 463.560 1.232 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1540902431 JBPPXXDYWQGGEF-ZCNNSNEGSA-N 467.636 1.668 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1541115930 HFGABXJCBWCPGY-CNTRQJEFSA-N 466.608 1.412 30 10 JDEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1547244360 BCWFCRZLBZPNNS-LJQANCHMSA-N 474.587 1.658 30 10 JDEE CCN(CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1547429690 ATDVVLOFBGPCHC-NQIIRXRSSA-N 489.646 1.849 30 10 JDEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1587831010 GZXUFDAYSHINSD-UHFFFAOYSA-N 482.585 1.357 30 10 JDEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1587937752 UCJICBUFIXXRHC-GOSISDBHSA-N 453.362 1.635 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1588058946 GAPNDSFWILXOKY-HZPDHXFCSA-N 450.511 1.953 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO1 1589547784 WDSPBPSANMXGTC-MKXGPGLRSA-N 469.608 1.207 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1593747446 WLCAURLXZSIQCK-JLHGSKIFSA-N 481.619 1.876 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1594733330 RBRBNFVKQYLNJJ-IBGZPJMESA-N 472.615 1.907 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1595476282 JIUFMGZJPSKDMZ-HNNXBMFYSA-N 485.520 1.380 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1595536890 HVSXIQFTVAJNKJ-AWEZNQCLSA-N 490.490 1.969 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C(N)=O)CC1 1595766079 LSJDFVOPISLNBI-UHFFFAOYSA-N 469.514 1.849 30 10 JDEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1596575935 CLEIBJGBGPBSJT-PZJWPPBQSA-N 454.531 1.497 30 10 JDEE CC[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1613700810 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466.652 1.725 30 10 JDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCCS1(=O)=O 1705552852 PISAYMVJCMFOMO-KRWDZBQOSA-N 466.608 1.498 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1705559983 CTBQBWCNVJFJBS-INIZCTEOSA-N 481.525 1.652 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OC)cc1F)[C@@H]1CCS(=O)(=O)C1 1705567545 YQYSWKSDGXIJPJ-MRXNPFEDSA-N 456.503 1.558 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(NC(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1705571468 ZSRFIRSTMVZYAV-LJQANCHMSA-N 499.622 1.799 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1705637586 DAXMVRTYHZIKSG-OAQYLSRUSA-N 450.591 1.038 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1705643940 DHXMLSHHQBDENX-INIZCTEOSA-N 483.539 1.266 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@](C)(O)CCOC)CC1 1705647765 LFNPFDUYAZSKCA-VWLOTQADSA-N 493.568 1.347 30 10 JDEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1 1705830611 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30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1nccs1 1740573500 DOZSBRXDPMBYEX-MRXNPFEDSA-N 452.606 1.550 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740615875 MVHAAMDCWNKADR-YKSBVNFPSA-N 485.610 1.935 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1740615933 OBSQQCWYFHDRBA-UYAOXDASSA-N 498.609 1.096 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(OCC=C)cc1)[C@@H]1CCS(=O)(=O)C1 1740616087 RWBFASOFCDQXDG-LJQANCHMSA-N 471.583 1.656 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCOCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1740620566 QIYUBJWEPZYESL-OAQYLSRUSA-N 482.610 1.554 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1740640471 NVNYKWWCPJXULB-VGOFRKELSA-N 499.593 1.064 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC2(O)CC(OCC)C2)CC1 1740706939 JGTNHWKYNQXMFT-UHFFFAOYSA-N 481.597 1.773 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1740715892 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C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C)c(OC)c2)CC1 1722449902 SWIQODBAALJTFH-UHFFFAOYSA-N 464.570 1.732 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Cl)nc2C1 1722452054 QZOOUIJIWWKVKS-CYBMUJFWSA-N 455.009 1.866 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1722686089 RZGHEPZXHUGLAB-FQEVSTJZSA-N 494.593 1.267 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOC[C@H](C2CCC2)C1 1722693342 KQPQMRSQZXBBCU-LJQANCHMSA-N 473.599 1.904 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1722696354 JXPWTITXVGTKJW-GHTZIAJQSA-N 481.601 1.245 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](OC)C1 1722697309 JKUYJQIEAUAOFU-INIZCTEOSA-N 451.531 1.592 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1722698218 WHKGVCCLHKDAKT-UHFFFAOYSA-N 460.586 1.901 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](NC(C)=O)C1 1722701516 SBQGJNJLLCFQEJ-QFIPXVFZSA-N 494.644 1.050 30 10 JDEE 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C=CCSCCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760568224 BWWKTETUWZVFAF-RDPSFJRHSA-N 492.690 1.981 30 10 JDEE CCN(CC)C(=O)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1766558349 DMFMQWXPWZXRHE-GOSISDBHSA-N 450.609 1.959 30 10 JDEE COCCN1C[C@@H](Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1769883424 AGEWQAYHPHXVDI-FPOVZHCZSA-N 468.558 1.698 30 10 JDEE COc1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)cc1F 1770154928 CFMDWLSZMLGTBH-HNAYVOBHSA-N 480.566 1.597 30 10 JDEE CSCc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cc1 1771435653 AMVJBZYRUJGSES-WMLDXEAASA-N 450.590 1.528 30 10 JDEE N#Cc1ccnc(N2CCN(c3nnc(Cc4ccccc4F)n3CC(=O)NCC(F)F)CC2)c1 1771533932 GJAYSLIDTYMVIU-UHFFFAOYSA-N 484.486 1.983 30 10 JDEE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)C(=O)Nc2cccc(C#N)c2)cc1 1866581694 HGPLLEYQXVLFAA-KNQAVFIVSA-N 483.546 1.974 30 10 JDEE C[C@@H](C(=O)Nc1c(C#N)nnn1-c1ccc(N2CCN(C)CC2)cc1)N1C(=O)c2ccccc2C1=O 1870142935 OIMHTSQLHHXAMM-INIZCTEOSA-N 484.520 1.514 30 10 JDEE CC(C)N1C(=O)CS[C@H](C(=O)NCc2nccc(N3CCOCC3)n2)[C@@H]1c1ccc(C#N)cc1 1889422885 XUCBPRRNGVVHKM-GOTSBHOMSA-N 480.594 1.895 30 10 JDEE Cc1ccc(N2C[C@H](C(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)CC2=O)cc1 1889426263 RIHJSUIVICHURY-JOCHJYFZSA-N 452.599 1.606 30 10 JDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(NC(=O)OC)cc3)CC2)CC1 1891432501 IYFZZMBTEXNJRM-UHFFFAOYSA-N 478.615 1.676 30 10 JDEE COC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CC(Oc3cccnc3C#N)C2)cc1 1892266217 GUZISKBIODRJIW-FQEVSTJZSA-N 499.549 1.965 30 10 JDEE CC1(C)OB(c2cccc(CCNS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)c2)OC1(C)C 2058067361 PITXANFXSBOSQN-UHFFFAOYSA-N 484.383 1.744 30 10 JDEE NC(=NO)c1c(-n2cnc(I)c2I)nnc2c1CCC2 2185096408 VNDZIAXXCGFPSF-UHFFFAOYSA-N 496.050 1.455 30 10 JDEE Cc1c(-n2cnc(I)c2I)ccnc1C(N)=NO 2260052784 VKOWGKJRCGABBN-UHFFFAOYSA-N 469.024 1.879 30 10 JDEE Cc1cc(C(=O)N[C@]2(CO)CCN(C(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2267125305 DRHNLHPNRJUCBZ-JOCHJYFZSA-N 450.341 1.989 30 10 JDEE C[C@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267345887 UORMNLIMESCDEH-INIZCTEOSA-N 461.397 1.009 30 10 JDEE CO[C@H]1C[C@@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267525112 ZWINPZQSWUZFPP-KBPBESRZSA-N 450.345 1.463 30 10 JDEE C[C@@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282037118 RFSDSWCMSRQUND-OLZOCXBDSA-N 458.290 1.639 30 10 JDEE C[C@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@H]1NC(=O)OC(C)(C)C 2282319630 WVVNSLNZYJRLDT-UONOGXRCSA-N 485.416 1.038 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=[S@@](C)(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 2282551474 JQYZQOPPKAUTSM-UUBFPDNSSA-N 482.412 1.967 30 10 JDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1 2282555313 RECLRXBSQMNTRC-HNNXBMFYSA-N 464.368 1.952 30 10 JDEE C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CC1 2282618195 LDOSDCYZKWEJJS-AWEZNQCLSA-N 463.388 1.880 30 10 JDEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282683890 JPFHTFXTCXGVAT-HUUCEWRRSA-N 463.388 1.880 30 10 JDEE CC(C)(C)OC(=O)N1CCN(NS(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282842557 ABJJWLWIAUQDTJ-UHFFFAOYSA-N 485.387 1.871 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282853869 KINQXCMYDLTLMY-GJZGRUSLSA-N 484.428 1.501 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2282986029 LIOZMUDXCKFSFE-ZSBFGKGUSA-N 460.336 1.992 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C(=O)O)[C@@H](C)OCc2ccccc2)n1 2284430535 VQYIIPPFDOKNHP-CRAIPNDOSA-N 457.336 1.991 30 10 JDEE CN([C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2369653204 XFQCBCILNDTSGT-IRXDYDNUSA-N 485.387 1.959 30 10 JDEE C=CCn1cc(C(=O)NCCCN2CCCC2=O)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21 9731199 ODKKVTBARSPQSO-UHFFFAOYSA-N 488.610 1.960 30 10 JDEE CNC(=S)/N=C(/Nc1nc(C)cc(C)n1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 14161401 VGALWPSTXOUHPJ-GOSISDBHSA-N 469.571 1.350 30 10 JDEE CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 26189250 UFBXNEAKEMBKBR-MASFLUIBSA-N 454.466 1.139 30 10 JDEE in-vitro Cc1cccc(OC[C@H](O)Cn2c(N/N=C/c3ccc(F)cc3)nc3c2c(=O)n(C)c(=O)n3C)c1 33614564 YCYGDGYDQRULFH-ROJKJRQJSA-N 480.500 1.767 30 10 JDEE Cc1ncc(C(N)=NO)c(-n2cnc(I)c2I)n1 310710105 BVLIXXCVGLYVNV-UHFFFAOYSA-N 470.012 1.274 30 10 JDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(CCOC(=O)c3cccc(C#N)c3)CC2)cc1 586393767 GVZACKPXRCYCIQ-UHFFFAOYSA-N 470.551 1.423 30 10 JDEE C=C1[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)C[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@H]1CC/C(C)=C/CO 725274171 LRKGVEXMBFESEF-LJACAPIYSA-N 454.604 1.909 30 10 JDEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)c1ccc(NS(C)(=O)=O)cc1 730028454 ACQSJIOYCWYUJT-DEOSSOPVSA-N 497.529 1.949 30 10 JDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c(cc1Br)OCCO2 747089937 NQUWWHSRIXGNMX-LLVKDONJSA-N 450.332 1.031 30 10 JDEE COc1cccc(C=NNc2nc(SCC(=O)Nc3nnc(SCC(N)=O)s3)n[nH]2)c1O 1084641283 GMKOXCIBLUWDGF-UHFFFAOYSA-N 495.572 1.125 30 10 JDEE N#Cc1cc(Br)cc(COC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 1128566258 HXNNZFGKHOKMHO-AWEZNQCLSA-N 454.302 1.529 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1286388822 VSUZULYNLUKTBP-IBGZPJMESA-N 484.582 1.854 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(NC(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 1286389425 JWKFBLMBXMGFFM-LJQANCHMSA-N 483.554 1.532 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1286393668 FXVOQTICUWDLQX-JVIIGWRGSA-N 488.610 1.722 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1286396516 QDOVFGRZUCKHPK-JKSUJKDBSA-N 463.526 1.326 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCS(=O)(=O)CC1 1286461288 WOPDALMKQIHLID-UHFFFAOYSA-N 480.612 1.259 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)N(C)C 1286742168 OELMTZFOMAOJOT-IBGZPJMESA-N 492.627 1.136 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1286822235 BFYBXLSKNWUXFO-FDDCHVKYSA-N 492.598 1.851 30 10 JDEE C[C@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCC(F)F 1288517030 HMJCVXINJYLWDP-GFCCVEGCSA-N 454.507 1.358 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1300365444 XAQPYJRFPVCEGO-WOJBJXKFSA-N 492.646 1.157 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(OC(F)F)c1 1300465556 OWFLGLZNVSPZQK-KRWDZBQOSA-N 485.513 1.339 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1300483163 JDADSKAQYWFKTO-NFBKMPQASA-N 473.599 1.583 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC2=CCc3ccc(OC)cc32)CC1 1300682413 HMYSPPXFDBCZGJ-GOSISDBHSA-N 484.626 1.682 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(COC)n1 1300806422 UZWNFCNGDIAATR-OXQOHEQNSA-N 480.616 1.254 30 10 JDEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1301195116 UVCHAPAVUGVMCN-UHFFFAOYSA-N 468.606 1.767 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1301569088 PIFLBPQHHZOVOR-VLIAUNLRSA-N 452.581 1.207 30 10 JDEE C=CCSCCn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1301620546 HGXZMUVPVXCHDJ-JOCHJYFZSA-N 480.635 1.023 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)CC1 1301634233 GOWYUBPEDZTVGN-UHFFFAOYSA-N 473.603 1.592 30 10 JDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 1354863417 ZDCDXADVVAKIBC-LJQANCHMSA-N 456.480 1.484 30 10 JDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NCC#C)CC1 1358927212 QMIHATGTKPBWGC-UHFFFAOYSA-N 457.538 1.571 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(C2CC2)c1)[C@@H]1CCS(=O)(=O)C1 1358955951 XLMQUXCIPYGBBA-HXUWFJFHSA-N 455.584 1.969 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1358956316 DIDJIELNISKCHW-IRXDYDNUSA-N 491.589 1.956 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1358959390 HXWXLBZYKDFWRE-INIZCTEOSA-N 485.570 1.258 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1358960522 GNDVPNQOQJQQMN-FQEVSTJZSA-N 453.572 1.420 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCOc1ncccc1Cl)[C@H]1CCS(=O)(=O)C1 1358965756 ASLMWHYKFWROCT-INIZCTEOSA-N 492.989 1.155 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358966407 OOHWIVHAGPFPMM-LJQANCHMSA-N 469.567 1.661 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCN(C)C1 1359025009 ZYPGTQHQDHPDHM-NTKDMRAZSA-N 476.622 1.545 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1359031094 PRVRZRQNHFMWBX-INIZCTEOSA-N 478.416 1.898 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)N1CCOCC1 1359089603 LOEABIUYLNDQMR-PXNSSMCTSA-N 469.546 1.202 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(C)(C)C)nc1 1359240037 DMWRXQRYQPWZLL-KRWDZBQOSA-N 464.592 1.854 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H](O)C1 1359277688 SOSPLZSJLPKKIL-DYXWJJEUSA-N 493.630 1.990 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1359326791 JVOXXUOPPWXTLL-CALCHBBNSA-N 496.634 1.320 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)ccc1F 1447860385 DFKIITAWEASNGE-OAHLLOKOSA-N 457.524 1.656 30 10 JDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 1463841193 BKJHTWNNNJNYDV-WBVHZDCISA-N 456.524 1.773 30 10 JDEE CN(C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CCOCC1 1503385239 FSUCONBYMPEXNS-SFHVURJKSA-N 450.609 1.421 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1507627276 RRSMZGWPQPXKQL-OAHLLOKOSA-N 478.376 1.628 30 10 JDEE C#CCN(c1nnc(C)n1Cc1ccc(OCCN2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 1507628583 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C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705693477 HASLBEFLIHIRID-ICSRJNTNSA-N 472.594 1.801 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(NC(C)=O)nc2)CC1 1705769546 VUCLCYXHOCWIAV-GOSISDBHSA-N 475.575 1.169 30 10 JDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1705886277 IEWJNQUDMVMOLJ-UHFFFAOYSA-N 467.621 1.204 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3cccc(F)c3C#N)CC2)nnc1[C@]1(OCC)CCOC1 1705908406 BONPYEMEMJXWSO-DEOSSOPVSA-N 483.548 1.570 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1705935464 SEETXJSIEMBCRI-NQIIRXRSSA-N 477.606 1.766 30 10 JDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705947606 RADSAXDJQJCKLI-QFIPXVFZSA-N 455.588 1.998 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1706650126 ACSIHTHIRLWRMS-HXUWFJFHSA-N 499.641 1.288 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)c1ccc(F)cc1 1706889235 DSCXUWNEIVLPJM-WMLDXEAASA-N 450.540 1.734 30 10 JDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1712320223 GJPSARWPVBXRGM-QHCPKHFHSA-N 466.521 1.860 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCN2CCOC[C@H]2C)c1 1722307252 KLXFTISIRSAIJB-OAQYLSRUSA-N 490.612 1.917 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1722361117 LCWBUYJIHQCJRW-INIZCTEOSA-N 456.503 1.580 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1722367816 XZTCNFYZKMGGOA-INIZCTEOSA-N 477.537 1.300 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1722368994 UXLCWWWGVATJKY-BQFCYCMXSA-N 461.613 1.796 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1722370838 FEVGHXHCHIRULA-MAUKXSAKSA-N 474.587 1.436 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722372051 OMEJOTNXUCDKSW-OAHLLOKOSA-N 453.446 1.918 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)C(=O)NCC 1722376541 RTNJPFWXFYFBPK-UHFFFAOYSA-N 469.615 1.782 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)c1ccccc1 1722397158 NZUHGARMVDCZPX-JOCHJYFZSA-N 484.626 1.600 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(F)cccc1F 1722413987 USVBBZZAKIQHSJ-GOSISDBHSA-N 453.515 1.591 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(=O)N(C)CC)CC1 1722442017 QZBAUBHEICFTMA-SFHVURJKSA-N 459.595 1.584 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(C(N)=O)c2)CC1 1722448983 JYMGMFLGGXSADQ-UHFFFAOYSA-N 457.538 1.377 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1722473480 FKIIGWKCNXXRAN-IBPRQYQWSA-N 492.690 1.971 30 10 JDEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1722487155 KSQAUMXBAMCCFB-KRWDZBQOSA-N 474.363 1.939 30 10 JDEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722624738 FXZGTNHWSJALSY-OAHLLOKOSA-N 479.368 1.992 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1722729847 YWFBEWRJBPGBAP-HTAPYJJXSA-N 464.563 1.993 30 10 JDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1722737999 YTDRERFKAATPAF-KRWDZBQOSA-N 469.571 1.062 30 10 JDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C[C@@H](C)O1 1730609752 IBJVPBCEPIDFIK-VQIMIIECSA-N 475.571 1.546 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCSC2)c1 1740561322 BAWPEJACOQRCFP-RDJZCZTQSA-N 476.628 1.698 30 10 JDEE C#CCCCCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740579459 SLWQAOCSYFNOBP-XMMPIXPASA-N 474.606 1.696 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCC1CC1 1740676410 BQYVXUXNOSLAKU-SFHVURJKSA-N 459.547 1.485 30 10 JDEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740743528 YPKVHQOAVXYWIX-UHFFFAOYSA-N 474.363 1.484 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CCN(C)CC1 1740773955 ICQLYBSUEFGEIH-GOSISDBHSA-N 486.708 1.841 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1740810884 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C#CCN(c1nnc([C@H]2CCCOC2)n1CCC(=O)NCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748816949 BJODAOMGKUBGBJ-SFTDATJTSA-N 485.610 1.505 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(O)CCOC2)CC1 1749001091 HYDLBEGPXPANRZ-VWLOTQADSA-N 480.569 1.264 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1749010035 ZRUZYBRTDWOFCW-UHFFFAOYSA-N 495.609 1.538 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1749084256 PQIGSZZDNVETLJ-HRCADAONSA-N 491.456 1.344 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCOC)CC1 1749128472 WMFWBZXTMHDYAM-GGPKGHCWSA-N 460.579 1.189 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1cccs1 1749158346 HNKFUADUWNFWFQ-JXFKEZNVSA-N 469.633 1.983 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1749211485 YTPDIHDVCBAGFZ-UNMCSNQZSA-N 487.649 1.486 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)NC)CC1 1749217068 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C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1760464476 IGXUBGUZHCROKU-HOTGVXAUSA-N 472.612 1.394 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1760522541 WDSKJEOKLFNPOA-QVKFZJNVSA-N 463.514 1.331 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760524892 MNRXNMFIYYGKBP-UHFFFAOYSA-N 467.574 1.054 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1760548372 FDEFEABHFXOVTH-WOJBJXKFSA-N 452.669 1.997 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1760557141 BAZNLZMCKNQQRF-SFHVURJKSA-N 461.588 1.729 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](NC(=O)CC)C1 1760557263 FXNPRNJDCRLJRL-GOSISDBHSA-N 463.608 1.236 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1760557803 WRVKEAFIIIEYFW-IAGOWNOFSA-N 496.634 1.351 30 10 JDEE CC1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 1763014093 DXVXGDXSJGAHQE-FQEVSTJZSA-N 494.648 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30 10 JDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1359280364 OIGMQODVZNNDIA-SFHVURJKSA-N 452.563 1.986 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1359299942 QCHNGDXPDVGDRQ-SJORKVTESA-N 489.374 1.872 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@]23CCC[C@]2(COC3)C1 1359326731 ISTPBNAWFBJEJU-FGZHOGPDSA-N 465.620 1.804 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1359334177 VWPOJZGKNKBPES-UYAOXDASSA-N 460.604 1.022 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC1(S(C)(=O)=O)CCCC1 1360677820 HGPWUGRXAFXTAS-OAHLLOKOSA-N 472.637 1.376 30 10 JDEE C#CCN1CCC(NC(=O)c2cc(S(=O)(=O)NCCOC)ccc2Br)CC1 1455949977 YQDKINREHBVTIJ-UHFFFAOYSA-N 458.378 1.201 30 10 JDEE C=CCOc1ccccc1CNC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1468843154 LLOARDHUTLSJBJ-UHFFFAOYSA-N 459.524 1.895 30 10 JDEE CCC[C@](C)(O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C#N)C1 1499969484 DXJKOXZFJKFGCT-RDGATRHJSA-N 467.618 1.923 30 10 JDEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2CC)CC1 1501769498 FVNCYCGBDPPDEW-UHFFFAOYSA-N 490.616 1.857 30 10 JDEE CCN(CC)CCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1501961249 DLKGPHJRZHVPJF-IBGZPJMESA-N 480.621 1.509 30 10 JDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CC2CCS(=O)(=O)CC2)CCOC1 1502676213 GAENJCZNFGVEHR-OAQYLSRUSA-N 451.593 1.885 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(n1)CCCC2 1507536868 FOKNSARPMNXFDJ-OXJNMPFZSA-N 458.588 1.391 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(NC(=O)OC)c1 1507538476 MOSOQKALEUMPIY-YJBOKZPZSA-N 476.559 1.296 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2conc2COC)c1 1507549741 MXTYOCTYQQYVGY-UHFFFAOYSA-N 458.482 1.974 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1507558349 WLWVZSXIIVDDQD-HUUCEWRRSA-N 450.531 1.765 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1507631658 RPFMABSHBXIRFU-XMSQKQJNSA-N 472.571 1.423 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cccc(Cl)c1 1507653380 NTEWKLMKBGCNCD-DENIHFKCSA-N 492.001 1.245 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC(=O)N(CCOC)C1 1507699334 BQVCYRRPTREACG-QUCCMNQESA-N 468.533 1.503 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2COCCO2)CC1 1507715633 FMMBFJZCNDMFPV-IBGZPJMESA-N 458.950 1.032 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(ccnc2O)C1 1507935368 PWEWOIBQWGUGJZ-SFHVURJKSA-N 462.576 1.631 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2)C1 1507964369 COBCJSBZCJSDPE-LEWJYISDSA-N 491.614 1.782 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCc2ccccc2C1 1508037369 BMSZPBRFFDCUIX-NRFANRHFSA-N 459.616 1.877 30 10 JDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1508070911 GHCKWYSRPGCDKO-PNKHAZJDSA-N 497.618 1.315 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1508075274 VIKNWEJBTIITHV-AWEZNQCLSA-N 485.408 1.741 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)CC[C@H]2C1 1508089763 KOCVYYARXUQANS-SFHVURJKSA-N 487.605 1.506 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1508090691 IKDUODMOJBMWMX-GOSISDBHSA-N 453.503 1.737 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1508124439 BTFXMHMKNSVJEJ-UHFFFAOYSA-N 496.540 1.468 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H](C)CS(C)(=O)=O 1508135832 MRGZHSHWTXOHRU-CQSZACIVSA-N 470.573 1.144 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1508136351 RLWALIZWMRDGPQ-INIZCTEOSA-N 491.570 1.594 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@]1(O)CCSC1 1509683157 ICEQOTHLENEEHX-JOCHJYFZSA-N 473.578 1.622 30 10 JDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1517428342 DTWNKARPKXYGFK-UHFFFAOYSA-N 465.562 1.859 30 10 JDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)C1 1519515601 CWJZOFOJIOFZQC-LJQANCHMSA-N 493.611 1.177 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc2c(s1)CCCC2 1539013001 HOEXHOCALXTPMU-RDJZCZTQSA-N 478.644 1.647 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1539200569 KWZIOVABNQTPET-HXUWFJFHSA-N 455.584 1.806 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCS(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539212245 ODGRVWUFIBKRBJ-QGZVFWFLSA-N 486.019 1.117 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1539216720 WKHJRKKBQAWMBS-HZPDHXFCSA-N 463.560 1.448 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 1539220773 LFPYPDNTYBVELX-PKOBYXMFSA-N 457.556 1.303 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCC)C1 1539751617 QNDXKRJLGSMXPG-ROUUACIJSA-N 457.597 1.209 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1540904752 QBLNGSCWGNQFAY-RCCFBDPRSA-N 451.618 1.953 30 10 JDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C2CC2)N(C)C)CCN1S(C)(=O)=O 1555953728 DUBPHMRBDZBJAY-OXJNMPFZSA-N 457.604 1.627 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N2c3ccccc3C[C@H]2C)CC1 1556504393 WNTXMPUMLZKRTP-CEMLEFRQSA-N 450.583 1.664 30 10 JDEE C=CCn1c(S)nc2cc(C(=O)NC3CCN(CC(=O)N(CC)CC)CC3)ccc2c1=O 1556522062 WAUVPXPNOMSQSJ-UHFFFAOYSA-N 457.600 1.934 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1588064402 HQHZKBNHXCSBPL-CVDCTZTESA-N 460.600 1.860 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(C(=O)NCC)cc1)[C@@H]1CCS(=O)(=O)C1 1588064887 QOIUNAUDFKNHON-JOCHJYFZSA-N 492.605 1.689 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1588069900 UUYAGQUFMZOHIO-SFHVURJKSA-N 484.582 1.128 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1588200544 VDJWLHPSICRGNU-SFHVURJKSA-N 471.583 1.707 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)N(C)c2ccccc2)CC1 1588811161 BKDYTGWVOLBMCI-VQTJNVASSA-N 456.616 1.460 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@](C)(O)c2ccccc2)CC1 1588884979 QFHVVIZZSRFDAW-SANMLTNESA-N 478.597 1.778 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCS(C)(=O)=O)CC1 1588907270 AFTQGCUZEKCCOV-UHFFFAOYSA-N 463.991 1.999 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ncccc2F)CC1 1588985932 XMVYLBRIMBBZTD-OAHLLOKOSA-N 482.607 1.837 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1589070020 PYFXDXFRXPPJCT-DLBZAZTESA-N 453.634 1.289 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1589503455 DBHAHLZPSATHTG-VXKWHMMOSA-N 491.596 1.971 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1589544407 GUULMQZXPFGBRA-LAUBAEHRSA-N 486.621 1.315 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)NC)c1 1589663353 LTCOXULACNNKFF-IBGZPJMESA-N 476.603 1.421 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1589708163 FEXIUIXIXGAEPM-HZPDHXFCSA-N 466.612 1.854 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CCOCC2)C1 1593746473 GGVLVBBUKDROBS-LJQANCHMSA-N 483.635 1.601 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C(N)=O)CCCC2)CC1 1594241157 HTNDMDPZKAZZMO-KRWDZBQOSA-N 466.608 1.059 30 10 JDEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1595026466 LTQRSCPGQWIJND-UWJYYQICSA-N 453.609 1.755 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1595466502 JZJWSBLHCSNRIB-AWEZNQCLSA-N 467.452 1.775 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1595607308 DODNEBSHQUXRRI-CVDCTZTESA-N 485.585 1.927 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@](C)(C(=O)NC)C1 1595824238 ZNWRYSDJUUZAAG-HSZRJFAPSA-N 470.599 1.844 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)[C@H](C#N)C1 1634107905 HTJBBOGYCZIBQA-NVXWUHKLSA-N 455.581 1.345 30 10 JDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nnc2n1CC[C@H](C(F)(F)F)C2 1634707704 BBYDSCPUVZTVFI-YPMHNXCESA-N 456.450 1.258 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)[C@H](F)CN(Cc2ccccc2)Cc2ccccc2)CC1 1634876033 AJNSGVCMNDLIGJ-XMMPIXPASA-N 450.558 1.921 30 10 JDEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(=O)NCCO)c1 1635681122 GLCBEXAACFQOBH-UHFFFAOYSA-N 451.932 1.560 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(O)(CNC(=O)OC(C)(C)C)CC2)c1 1639498539 BKGIXNDTYLLFKT-UHFFFAOYSA-N 453.561 1.643 30 10 JDEE N#Cc1ccc(N2CCC(NS(=O)(=O)C3CN(C(=O)OCc4ccccc4)C3)CC2)nc1 1653989923 BSAHLHZNBUAJQO-UHFFFAOYSA-N 455.540 1.862 30 10 JDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1690131150 UOXSZPAGNSXIJI-JTHBVZDNSA-N 453.587 1.879 30 10 JDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1690481208 XRJNLGWSTVNBKA-UHFFFAOYSA-N 460.589 1.977 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1690659334 PSHUUCPZICQSHA-SFHVURJKSA-N 465.489 1.945 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(c2cnn(C)c2)CC1 1690714102 DYYBIUYDUVURCT-UHFFFAOYSA-N 461.592 1.232 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(=O)NCC)CC1 1690717528 IWRKIZKLVBSFRK-UHFFFAOYSA-N 486.598 1.550 30 10 JDEE CC(C)(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)N1CCOCC1 1691176290 GRRZAXZTSGRHHR-UHFFFAOYSA-N 452.563 1.319 30 10 JDEE CCN(CC)CCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1695662173 BXGJNZBDRXRGKE-MOPGFXCFSA-N 453.595 1.891 30 10 JDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1CCN(C(C)=O)CC1 1695766440 BZUBTJMFCKSBGV-UHFFFAOYSA-N 458.588 1.946 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCCS1(=O)=O 1705552853 PISAYMVJCMFOMO-QGZVFWFLSA-N 466.608 1.498 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1705559445 ASRQVRKHNQCSHC-DOTOQJQBSA-N 489.989 1.875 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1705561399 SUHOGGYQNXIKAY-GOSISDBHSA-N 465.539 1.190 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1705575742 VTHWPGZBALNPEW-INIZCTEOSA-N 458.540 1.478 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1705632559 UBUAVXSRPQRIJI-UHFFFAOYSA-N 467.549 1.147 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1705648066 QPHGYGSKKGTEMO-UHFFFAOYSA-N 455.584 1.963 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(O)CCN(C)C2)CC1 1705651478 YFKUOEDUICQBBW-SANMLTNESA-N 480.613 1.506 30 10 JDEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705656178 XAJWOJZZVFEQTD-CZUORRHYSA-N 482.404 1.773 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)CC1 1705693723 JXPIIKZRHPKKMG-QUCCMNQESA-N 455.563 1.675 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705701736 CTKSMCAYVBIRND-WIYYLYMNSA-N 456.595 1.306 30 10 JDEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)N2CCOCC2)CC1 1705781798 IGTMMGNSIPPGHO-LJQANCHMSA-N 490.605 1.848 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccn(C)n1 1705868502 QAAOJPAPYMELQG-LJQANCHMSA-N 491.643 1.841 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1705900950 VMLMSJMSZKBQNQ-KRWDZBQOSA-N 458.530 1.328 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1705928407 PVWYJQBLFVCYIE-IBGZPJMESA-N 477.587 1.604 30 10 JDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1705942066 GVYKUSKJJIJCCU-NRFANRHFSA-N 461.613 1.984 30 10 JDEE C[C@@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CCCO1 1708248741 GUENXONZLKQREN-CTNGQTDRSA-N 481.601 1.931 30 10 JDEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722311441 GYMSVTTTWIZIJH-UHFFFAOYSA-N 454.926 1.132 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1722358652 JVWHNSXQNUGORC-SJORKVTESA-N 458.544 1.121 30 10 JDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1722370663 DHELKWXTFZGLTE-HXUWFJFHSA-N 482.610 1.823 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722391595 PVRAVBNYRFICOH-DENIHFKCSA-N 463.604 1.063 30 10 JDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN(CC)S(C)(=O)=O)CC1 1722439261 VLONIGXXRXEVBK-UHFFFAOYSA-N 480.585 1.574 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(N)=O)c1 1722518334 ZTLJIOZRVNBKLB-GOSISDBHSA-N 462.576 1.161 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(N)=O)C1 1722703992 NVHVRXGIUMYERF-CVEARBPZSA-N 461.567 1.354 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1722728118 OGSOIBCGMDAFJQ-KURKYZTESA-N 486.660 1.565 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722731455 LKLMPJFODARXGF-NRFANRHFSA-N 479.990 1.828 30 10 JDEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C(=O)NC)C1 1722734395 FJMODPUWKINQRM-HNNXBMFYSA-N 469.409 1.917 30 10 JDEE CC(=O)N1CCCN(c2nnc(-c3ccccc3C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1722771524 YXGKGTBSOKTGFG-LNVKXUELSA-N 463.542 1.839 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCOCC1(C)C 1740538721 JOOBMBDYAQDYGC-GOSISDBHSA-N 474.631 1.764 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740625420 QLICUBAKZJHGLO-QGZVFWFLSA-N 478.644 1.423 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2CC(=O)NCC=C)CC1 1740703452 SZCSXIRASQRCQZ-UHFFFAOYSA-N 485.386 1.976 30 10 JDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1740801745 FZDRTROBNXYQKB-OAHLLOKOSA-N 469.015 1.881 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1740843630 MKTYMEOWLYVRSZ-QZTJIDSGSA-N 465.624 1.901 30 10 JDEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1740862438 SLMSUZQHTHDCPP-UHFFFAOYSA-N 465.558 1.843 30 10 JDEE C=CCn1c(-c2cccn2C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1740945871 GEQQZEZUBUEPAB-HLLBOEOZSA-N 462.576 1.596 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(S(C)(=O)=O)CC1 1740992360 FXNWCLOLMKXKTM-UHFFFAOYSA-N 492.627 1.131 30 10 JDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1741001490 VTRMGQGRJCRLOM-GOSISDBHSA-N 461.636 1.283 30 10 JDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1747534719 HFVVHKLNUWKFFM-UHFFFAOYSA-N 478.601 1.430 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCn2cncn2)c1 1747600851 HVBDGJSOYKFSOV-OAQYLSRUSA-N 469.575 1.617 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCCS(C)(=O)=O)c1 1748694269 CSHWJFZPJWYVQM-UHFFFAOYSA-N 483.598 1.631 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1748821896 VZYCKFDBJOBIKN-AVRDEDQJSA-N 488.639 1.736 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1749006664 WUQDQMKPNJRMRU-IBGZPJMESA-N 467.618 1.838 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(F)cc2C1 1749228879 DVXVSRSGKYUATB-FQEVSTJZSA-N 479.578 1.906 30 10 JDEE C=C(Cl)Cn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1749281574 HHLNWGAUJRSQKD-VQTJNVASSA-N 452.943 1.497 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1749447736 MTHVKVZSFKWFLJ-SFHVURJKSA-N 461.588 1.904 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1749723887 CCZCKXIOIJVUNI-UHFFFAOYSA-N 462.576 1.785 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(=O)NC)CC1 1749726942 KHYOLVNFWAUMJQ-UHFFFAOYSA-N 456.572 1.770 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1751216645 BLQCESRQWSSSLU-QRWLVFNGSA-N 480.616 1.470 30 10 JDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1760151896 AGRIDHGHHSRSIQ-GOSISDBHSA-N 463.542 1.430 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(OC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760185749 CLGMIPIUTOIOOU-ZWKOTPCHSA-N 484.644 1.156 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1cc(C(F)(F)F)ccn1)[C@H]1CCS(=O)(=O)C1 1760187166 IJLCVFCBUIPNGI-IRXDYDNUSA-N 496.515 1.512 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OCC(F)(F)F)nc1)[C@@H]1CCS(=O)(=O)C1 1760188414 PBXGRAAKXVZMDM-IAGOWNOFSA-N 499.515 1.793 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccc(C(=O)NCC)cc1)[C@@H]1CCS(=O)(=O)C1 1760193220 WWBWCOWBZZIHBT-LJQANCHMSA-N 459.572 1.239 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(NC(=O)OC(C)(C)C)COC1)[C@H]1CCS(=O)(=O)C1 1760193262 XIEUUKDLVLTFCY-DLBZAZTESA-N 495.602 1.050 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1760256941 MAWDSRRWLFQQHL-DEOSSOPVSA-N 456.566 1.939 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(C)(C)C(=O)NCC)CC1 1760261207 IEDAURQUIUDANY-FQEVSTJZSA-N 452.559 1.708 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1760264597 UMORCQGSZMGEQJ-IZHYLOQSSA-N 489.580 1.701 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1760279977 GMFMLVJSQHAKBT-AQNXPRMDSA-N 459.664 1.590 30 10 JDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1760307035 MMGXDNQTCSMVMA-OAHLLOKOSA-N 457.336 1.731 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1760357987 QCINCCGKMGKVNE-WMZOPIPTSA-N 492.598 1.844 30 10 JDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1760380546 GPORMGHVIYNZPE-LNLFQRSKSA-N 455.003 1.791 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760557852 XVNKNBJUGXUIAA-SFHVURJKSA-N 482.628 1.698 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(OCC2CC2)nc1 1761475758 GOTASLADIRFNQC-HNNXBMFYSA-N 459.576 1.860 30 10 JDEE CCN(CC)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1766677783 FABVYPLHWLIORT-UHFFFAOYSA-N 494.644 1.529 30 10 JDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1766853930 HEXLQKWCJWZEHH-UHFFFAOYSA-N 478.601 1.430 30 10 JDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CC1 1770685213 FGPSLOXETKXXEA-UHFFFAOYSA-N 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C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1359024320 KPJCIENDJZLRFO-TZIWHRDSSA-N 454.575 1.927 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(C)COCCO2)CC1 1359029226 RPEBFHFIMLKPSU-HSZRJFAPSA-N 472.977 1.422 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2ccccc2)CC1 1359039905 ANUHGAHBLCKZDZ-UHFFFAOYSA-N 473.537 1.970 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1359096883 IEVZSQDAOIKRKK-JQVVWYNYSA-N 473.622 1.201 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1359133117 LVAYEYQSXLBVPB-IRXDYDNUSA-N 455.581 1.488 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(CC(=O)NC)CC1 1359296546 MMQILNNJZHZIDM-UHFFFAOYSA-N 456.547 1.617 30 10 JDEE C=C(C)CNC(=O)C1CCN(S(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)CC1 1467295769 CRADVMXZZRRUFF-UHFFFAOYSA-N 458.558 1.723 30 10 JDEE CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)C1 1503677593 HOCJYILWEBFAKU-QFIPXVFZSA-N 491.518 1.778 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC(F)(F)F)c1 1507643214 SAXKYUIFEMGJNV-HNNXBMFYSA-N 469.489 1.951 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1507658163 DXXBVUDNZSPGAY-QGZVFWFLSA-N 454.497 1.532 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCO1 1507701552 KCOGZKXAAJIKPR-RTWAWAEBSA-N 489.573 1.735 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1507733057 NSJYLSSRUJOEBR-QYZOEREBSA-N 462.595 1.671 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1507737182 ZKHCITYZYZAHRZ-TZIWHRDSSA-N 471.650 1.700 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507800730 OYWWVZCTOKCQIO-DENIHFKCSA-N 453.591 1.840 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1507807067 BZTRCJWNDGZERW-QTDGGUCWSA-N 463.579 1.253 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccsc2)CC1 1507837604 TWMCOCZQOLKECC-INIZCTEOSA-N 482.632 1.505 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1507844015 ALNNMFBPDKHNES-GOSISDBHSA-N 459.551 1.432 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1508047362 GDNRLMFLGRVBSL-QGZVFWFLSA-N 459.532 1.651 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1508072344 PMDGSOGUYKPJMQ-IAGOWNOFSA-N 475.594 1.556 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1508073763 PHEHIFYKHZUGBX-UHFFFAOYSA-N 498.613 1.403 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1508142655 UPQPQTYPKQZOKW-QZTJIDSGSA-N 453.609 1.863 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H](C)C1 1508246185 UKEGPKWLZCAVGW-FOVZNYCQSA-N 467.505 1.668 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(n1)CCCC2 1509949116 CAYDEHZBGNQUIK-JXFKEZNVSA-N 473.603 1.671 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCCN1CCCCC1=O 1510153359 DKVVTVOZILWGPT-QGZVFWFLSA-N 473.603 1.799 30 10 JDEE C=C[C@H](COC)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 1537965481 QEOZSTIIMVTXDB-MRXNPFEDSA-N 450.561 1.327 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(F)F)cc1 1539178008 DGNOTKFMJIWNAD-MRXNPFEDSA-N 455.487 1.330 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCN1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 1539211656 JUYOYADEMCIKOL-HXUWFJFHSA-N 487.626 1.427 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1539216684 VSVRDMKWUVMDDW-VQTJNVASSA-N 459.620 1.426 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(COC)c1)[C@@H]1CCS(=O)(=O)C1 1539220511 KCKBXVHTETWXAL-MOPGFXCFSA-N 457.556 1.051 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1539231818 YKZQQVHRTVWVDP-SFHVURJKSA-N 473.628 1.888 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1C[C@]1(O)CCS(=O)(=O)C1 1539392099 MBYCTRPNJYPKRU-HSZRJFAPSA-N 469.542 1.592 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1539512403 CBAKQVAHDYDWKX-IBGZPJMESA-N 485.589 1.495 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncc(F)cn2)CC1 1539612054 HALPELBZCPBDKF-AEFFLSMTSA-N 458.542 1.653 30 10 JDEE C=CCCCn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1540013727 DBDGKVGYOILPFF-QGZVFWFLSA-N 454.531 1.369 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(C(=O)OC)CC1 1540866707 XMHSKSJWXDEDFT-UHFFFAOYSA-N 493.362 1.907 30 10 JDEE C=CCO[C@H]1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 1546132156 XTLXCHAHHTWFHR-SFHVURJKSA-N 453.536 1.242 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCN(C(C)=O)CC1 1587639762 MUFVNSQCYGHYRP-QUCCMNQESA-N 489.621 1.209 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2cnccc2OC)c1 1587697876 ZRFSJANILXWMSP-UHFFFAOYSA-N 473.537 1.909 30 10 JDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1587719028 SWZADQYTBOVFHK-KRWDZBQOSA-N 458.588 1.666 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588034353 DNUJDDKTBQCDLW-WZONZLPQSA-N 495.646 1.250 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588075052 WPMFIGOKQOSPBY-GUDVDZBRSA-N 480.631 1.365 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)c(F)c2)CC1 1588885010 QRVTVMDZOOVMRK-UHFFFAOYSA-N 468.533 1.676 30 10 JDEE C#CCSCCn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OCC)CCOC1 1589125657 NFBBCIDLBKYUDT-WOJBJXKFSA-N 454.618 1.312 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@@](C)(CC)O1 1589215732 DDEOJPFOSOYTDN-MOXQZVSFSA-N 465.620 1.951 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](C)C1 1589544597 IYWOPEWONAPFDE-LFDJNIOPSA-N 469.608 1.206 30 10 JDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1594820302 ZGNIQJALFGHBQR-UHFFFAOYSA-N 455.563 1.030 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1 1595608298 QJFKYGOVINMVBX-DBVUQKKJSA-N 488.614 1.749 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCN(C(=O)OC)CC2)C1 1595722134 JDHIDGFJAFJMOJ-ROUUACIJSA-N 467.592 1.440 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC2CCOCC2)C1 1595728519 CIAAYWFSYHGSRS-UXHICEINSA-N 483.635 1.599 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1595789401 SCUXZFBGVFEJGP-MSOLQXFVSA-N 463.535 1.547 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(C)no2)C1 1595845692 YVZRRXFLAWORBK-HIFRSBDPSA-N 455.610 1.883 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1596782030 GJNFWTKQGOHAJI-ZWKOTPCHSA-N 452.563 1.778 30 10 JDEE C[C@H]1[C@@H]2[C@H]3CC[C@H]4C=CC(=O)C5=C(O)N[C@@H](C5=O)[C@@H](O)CCNC(=O)C=CC[C@H]4[C@H]3C[C@H]2[C@H]2O[C@@H]12 1616183721 FDWNTCRVFCCYKL-IYKHTFQJSA-N 482.577 1.561 30 10 JDEE biogenic CS(=O)(=O)C1(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1620149371 BOGRCOPDBKJIDU-SFHVURJKSA-N 466.564 1.679 30 10 JDEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)CC1 1622493397 GBCYZFZBLVLPLE-HDICACEKSA-N 454.614 1.892 30 10 JDEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)Cc4ccccc4)C3)CC2)cn1 1637454845 COHVTNLPNVDOES-FQEVSTJZSA-N 453.568 1.844 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCS1(=O)=O 1689852609 HZZIJEJLSILDQT-IRXDYDNUSA-N 482.607 1.080 30 10 JDEE C#CCCCn1c(N2CCC(N(CC)S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1689941362 NOKDCTVJBNYOHL-JOCHJYFZSA-N 467.636 1.982 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[S@](=O)C(C)(C)C 1689951071 LDJUEUVCSTWERM-LJAQVGFWSA-N 451.618 1.812 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689993492 FLNKLUUPIQOJSE-MRXNPFEDSA-N 457.478 1.817 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1689998593 QKCJXEWMGDVENZ-XHSDSOJGSA-N 473.393 1.537 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCC1CC1 1690017344 CFLAAANEZXYFLL-UHFFFAOYSA-N 454.575 1.992 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)c(OC)c1 1690104317 SPOAHFPLVHXFEX-HXUWFJFHSA-N 477.587 1.062 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(N)=O)CC1 1690170963 SFQBFASHFDUODN-UHFFFAOYSA-N 451.556 1.260 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1691226670 AMWQQNRPXMIDDP-ZACQAIPSSA-N 480.591 1.308 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705480657 URHJUGYAFZLFDK-ZIAGYGMSSA-N 469.409 1.786 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)cs1 1705661711 ICBDOUWGXIMRPW-QGZVFWFLSA-N 469.658 1.984 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1N(C)C 1705716289 GELJKVQDCOPGFO-LJQANCHMSA-N 463.608 1.523 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1705730270 GLBQOBHEJAEYHB-LJQANCHMSA-N 488.614 1.599 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1705904903 BVYUFQNSSWMPEK-RHGYRFJNSA-N 455.559 1.952 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1705906003 OIBXUMBHTATNHE-UHFFFAOYSA-N 463.590 1.239 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1705934649 SNAWEBRYWCLGTA-LJQANCHMSA-N 471.587 1.660 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1722366151 QACYNWQINVCCIJ-SFHVURJKSA-N 459.601 1.547 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC(CC)(CC)OC)[C@H]1CCS(=O)(=O)C1 1722369261 WZORLYRYPUJBFQ-INIZCTEOSA-N 477.587 1.838 30 10 JDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1722450681 BRFRRGGQFLXBJA-SFHVURJKSA-N 450.609 1.706 30 10 JDEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](COC)C1 1722482594 BTBJCXCAMDOABA-AWEZNQCLSA-N 475.347 1.952 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(CC)nn(C)c2OC)CC1 1722573958 DNLYIVMILVLSDI-CQSZACIVSA-N 451.597 1.644 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1722692189 HJCAKNUFNHLKPM-KRWDZBQOSA-N 477.610 1.802 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1722727970 RUSFLWHZDXERPG-ROUUACIJSA-N 454.593 1.895 30 10 JDEE C[C@@H]1CCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1726584735 FKCWAASWKPVDIQ-LJQANCHMSA-N 467.574 1.508 30 10 JDEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(Cc2cccnc2)nnc1N1CCC(C#N)CC1 1729298444 GRVZKZORWWUILT-OAQYLSRUSA-N 450.591 1.947 30 10 JDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1730589867 CSOOZLAXSBMPPS-RBUKOAKNSA-N 480.491 1.931 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1740622871 KEASATVXMGITCK-BJLQDIEVSA-N 458.588 1.813 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1740710340 XRSSMPWBGHWGLV-QFBILLFUSA-N 479.628 1.841 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@@H]1C(C)C 1740731600 DLALZXDKQXIAAI-VQQMMKBISA-N 465.620 1.664 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1740772967 QYNCAOPZDWQMDT-QFIPXVFZSA-N 472.571 1.144 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@@](C)=O)CCC1)C1CC1 1740909899 COVAAWHQUSVPQP-HYDGNGQDSA-N 457.622 1.067 30 10 JDEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740948995 YJVIUKKHJPQJEZ-ZDUSSCGKSA-N 451.314 1.497 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cccc(OC)c1 1740951019 AIBBAYSUZNSINJ-QAPCUYQASA-N 462.576 1.541 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1740983705 NZBNLXRFNJXXKO-KNQAVFIVSA-N 462.572 1.231 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1740988671 MLFSOTLCRUHNHY-MRXNPFEDSA-N 458.993 1.823 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)N2CCOCC2)c1 1748694572 JHYBGIYMKBVUCZ-OAQYLSRUSA-N 490.612 1.917 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOc2ccccc21 1748790825 MYZCCOCMVBHBKB-YLJYHZDGSA-N 459.572 1.637 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1748803222 WEVCBKMPSDXKRV-LJQANCHMSA-N 473.599 1.603 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1748825241 WTBLOLOOLHSULY-LJQANCHMSA-N 484.582 1.583 30 10 JDEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749105339 DGICPQIQIMBYDH-HXUWFJFHSA-N 474.363 1.987 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC2(CCOCC2)C1 1749193292 FVJMPRAXRGDIPF-MRXNPFEDSA-N 457.622 1.290 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)O[C@H](CC)C1 1749652339 LRFZYXZCBNRHBR-NVXWUHKLSA-N 475.619 1.853 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1749677859 MQIXPURFMKEZNA-LJQANCHMSA-N 456.595 1.131 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1749731848 MGRKBQBUQUABGO-NQIIRXRSSA-N 453.609 1.074 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCN2CCCS2(=O)=O)c1 1760128763 RORYYWDRALHPCQ-FQEVSTJZSA-N 486.598 1.611 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1760180998 OFDOKMZWEXHPSR-AVRDEDQJSA-N 477.587 1.404 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1760196276 HCBBEJZCGJTFCU-SFHVURJKSA-N 489.623 1.093 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-c2ccsc2)nc1 1760205431 BDVCUUFVSKQYSS-OAQYLSRUSA-N 496.618 1.856 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1c(C)noc1C 1760233023 HTBZTWJDQDRYBT-RHSMWYFYSA-N 450.565 1.479 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)F)cc1 1760249319 JNEDGSOGKLNJMM-INIZCTEOSA-N 454.499 1.916 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC2(S(C)(=O)=O)CCCC2)CC1 1760264539 SAORDOBEUGFZGM-UHFFFAOYSA-N 487.626 1.978 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](CC(C)C)N(C)C)CC1 1760269864 QCAQFPUWNFFWRH-WOJBJXKFSA-N 478.663 1.122 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1760358044 QUTJOWWMVDHYNR-QRVBRYPASA-N 469.608 1.352 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1760523795 HYGLWNCURFHRLL-CBNMVNINSA-N 487.649 1.639 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1760528564 GSRBZLFKERAKSJ-YLJYHZDGSA-N 496.616 1.319 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC2CCCCC2)CC1 1760549188 YIQKYYMPLPPSTA-UHFFFAOYSA-N 478.663 1.817 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1760555058 VKRUNOUFPKZECS-UHFFFAOYSA-N 480.679 1.602 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1760557184 BYYRBRHZESMKGR-WBVHZDCISA-N 479.628 1.874 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(Cc3c(C)nn(C)c3C)CC2)nnc1C(C)(C)C 1760558763 ZDFFJDRRWNGZJM-UHFFFAOYSA-N 463.652 1.849 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC2CCOCC2)c1 1761462900 BRWUIEXVFACJBS-JKSUJKDBSA-N 477.591 1.628 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCS(C)(=O)=O 1761475154 AGUPJFAUOFNQAN-HNNXBMFYSA-N 478.600 1.098 30 10 JDEE C=CCN(CC=C)c1nc(NC(=O)[C@H](C)Oc2ccc(O)cc2)n([C@H]2CCS(=O)(=O)C2)n1 1870002843 WWGGGRRWBTUUFV-HOTGVXAUSA-N 461.544 1.928 30 10 JDEE C#CC[C@H]1NC(=O)CC2(CCN(C(C)C)CC2)NC(=O)Cc2nc(sc2C)C2CCN(CC2)C1=O 2080412684 CEUJLWGQTKQDEW-HXUWFJFHSA-N 499.681 1.971 30 10 JDEE C#CCN(C(=O)[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 2136171606 LQFGAEKTSZKHGU-OKZBNKHCSA-N 467.563 1.189 30 10 JDEE Cc1cc(C(=O)NC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267151075 GPFRYPJMDXUIGT-UHFFFAOYSA-N 465.381 1.560 30 10 JDEE CN(CCOCCNC(=O)OC(C)(C)C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267175674 PDCSWMKJRYYSHR-UHFFFAOYSA-N 450.345 1.389 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CO)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267463834 CLTZNKNGDIQKFZ-AWEZNQCLSA-N 490.815 1.803 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CO1 2268724879 PBOJAJUQNQDTBY-QWHCGFSZSA-N 468.385 1.518 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CN(c3cccc(B4OC(C)(C)C(C)(C)O4)n3)CCN2C1=O 2281488244 NANSYALZFXXVNA-HZPDHXFCSA-N 458.368 1.695 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 2282005008 NGUFBGIKOKUMCS-HNNXBMFYSA-N 464.372 1.082 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282075833 ZGQLTMCQZHGNTG-SJORKVTESA-N 468.306 1.974 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@H](S(C)(=O)=O)C1 2282208435 IZSQLMTXIMCDEG-UKRRQHHQSA-N 484.380 1.341 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1C[C@H](F)CN(C(=O)OC(C)(C)C)C1 2282338812 ULVJFLPXIQMMOF-KBPBESRZSA-N 488.391 1.345 30 10 JDEE CO[C@H]1C[C@@H](CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)N(C(=O)OC(C)(C)C)C1 2282537961 YNIKENCHLJFIQK-GJZGRUSLSA-N 464.372 1.474 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)[C@H](CO)C1 2282799431 KOHJTBYJURCPPB-INIZCTEOSA-N 462.352 1.745 30 10 JDEE CC(C)(C)OC(=O)NC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)COC1 2282979209 WVECRWFBAXTBFG-UHFFFAOYSA-N 464.324 1.421 30 10 JDEE CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2343638975 MCFITLDLBTYXLZ-UONOGXRCSA-N 450.320 1.805 30 10 JDEE Cc1ccc(OC[C@@H](O)Cn2c(N/N=C/c3cccc(O)c3)nc3c2c(=O)[nH]c(=O)n3C)cc1 33788336 BZTMUSKBMFEPNU-PKOLSWDWSA-N 464.482 1.323 30 10 JDEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@H](C#N)[C@H]3c2cccc(OC)c2O)C1 256034170 WPNBKPVALQBBJH-XNRPHZJLSA-N 467.482 1.900 30 10 JDEE CCc1nc(C(N)=NO)cc(-n2cnc(I)c2I)n1 308229931 VVBRIGNDPQBTBJ-UHFFFAOYSA-N 484.039 1.528 30 10 JDEE C=CCN(C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1nc(C(=O)OCC)cs1 409818917 XSQPZYFBUXOMCP-UHFFFAOYSA-N 478.552 1.273 30 10 JDEE CCCCC(=O)N1CSC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 524383836 YKLVOTPCTXZOHK-QGZVFWFLSA-N 450.586 1.483 30 10 JDEE CON[N+](=O)CC(=O)N1[C@@H](C)CN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(N(C)C)cc1 585088955 QHSHZRHHEHHENA-JTSKRJEESA-N 476.579 1.826 30 10 JDEE COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 608889878 DTWTYARYOJWSIC-NRFANRHFSA-N 454.914 2.000 30 10 JDEE CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1136138196 DYUFKRMHGDEPJH-CYBMUJFWSA-N 450.467 1.990 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)CSc2nnc(-c3cccc(C)c3)n2CC)CC1 1144025436 DILMMCDEYYRSDR-UHFFFAOYSA-N 454.600 1.649 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1286387074 ACEDMKLEUDCQKT-SFHVURJKSA-N 459.963 1.907 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)N(C)C 1286466174 DOZAIWSBOYASNX-UHFFFAOYSA-N 498.650 1.370 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@](C)(O)c2ccccc2)CC1 1286478888 DEBVUMGGFMPTOA-AUSIDOKSSA-N 457.600 1.233 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN2CCCS2(=O)=O)CC1 1286484371 JQDMVDAQCUMRKV-UHFFFAOYSA-N 472.615 1.265 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](OC)c2ccccc2)CC1 1286490974 ZDZQLDKEBSEVGO-VQTJNVASSA-N 450.543 1.583 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2nccc(C(F)F)n2)CC1 1286495529 YLEQOKLAMJHQGV-LPHOPBHVSA-N 489.527 1.744 30 10 JDEE C=C(C)COCCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286613757 FOOFYCCJMUKZPH-OFVILXPXSA-N 490.649 1.654 30 10 JDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCN(Cc2ccccc2)CC1 1286727576 UROBIAHYYPAKSV-NRFANRHFSA-N 458.632 1.620 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCS(=O)(=O)C1 1286740416 LTULCQVIOVASIA-RTBURBONSA-N 494.639 1.816 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCS(=O)(=O)C1 1286744028 AZJUWSTZUUPUBC-SXWKCWPCSA-N 476.599 1.744 30 10 JDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)NCC)CC1 1286789274 BPBPMLZGEFIOTR-UHFFFAOYSA-N 450.547 1.435 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1286814994 JVXXDFFGFBIFTR-UHFFFAOYSA-N 466.571 1.926 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(=C)CC1 1286819907 ZCSWWIVGQQZTKR-UHFFFAOYSA-N 454.556 1.949 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CC(=O)N(C)C[C@@H]1C 1286821809 AYDJJWQJVAHROB-KRWDZBQOSA-N 456.572 1.549 30 10 JDEE C=CCSCCn1c(CC2CC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1286835539 YGNCQSJLYZLGDO-SFHVURJKSA-N 455.650 1.781 30 10 JDEE CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)CCC(F)(F)F 1295855421 FXTALVGTNWADIV-CABCVRRESA-N 464.514 1.183 30 10 JDEE CN(C)S(=O)(=O)c1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](C#N)C1 1298096467 APDNPDSJEWAJNS-MSOLQXFVSA-N 460.560 1.547 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCOC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300479641 QXOXMVKJDWOLQI-GOSISDBHSA-N 486.598 1.901 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300488108 ORMDFXGABLQOMI-IRFCIJBXSA-N 486.642 1.855 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1300488192 PGHJHSKIGUMDER-MRXNPFEDSA-N 492.403 1.570 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOc2ccc(C)cc2)CC1 1300700131 MCLRSXKRARQGFL-FQEVSTJZSA-N 457.600 1.713 30 10 JDEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1300768361 PUIVJGACVYCPBJ-UHFFFAOYSA-N 466.658 1.873 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cc2)CC1 1300972240 KIISAXGXPZFJKB-KRWDZBQOSA-N 466.583 1.947 30 10 JDEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1301164223 QRMGHRAHGFAEFE-QXAKKESOSA-N 476.603 1.199 30 10 JDEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1301226139 AXEBWURTVCZUBC-UHFFFAOYSA-N 457.560 1.870 30 10 JDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1301257676 CPRYBTXIXJCMLR-KRWDZBQOSA-N 482.632 1.651 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CN(C)C1=O 1301340229 XNGLLXJDZJZGQV-AUSIDOKSSA-N 468.583 1.723 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1301513870 BBEJCYDBSCVGHQ-IBGZPJMESA-N 465.558 1.772 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3cccc(C)c3)CC2)nnc1[C@]1(OCC)CCOC1 1301519159 NCCWNKPGWJHYSF-DEOSSOPVSA-N 454.575 1.867 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)Nc2ccccc2)C1 1301558873 ZXDVTAHTDMFYMK-PKOBYXMFSA-N 459.572 1.990 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@](C)(C(N)=O)C1 1301576345 CUSPLIYMSSGKGC-JOCHJYFZSA-N 454.556 1.796 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1301585967 ONJXCLGDAHLGGA-INIZCTEOSA-N 467.983 1.521 30 10 JDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)C[C@H]1C 1316124876 BPMFDUSTHGKXBH-GOSISDBHSA-N 453.547 1.816 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1359042400 DXYGQFRNCNJZLZ-QRQCRPRQSA-N 458.950 1.499 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)c2cccs2)CC1 1359044746 NNCDKCHNZIIYFI-KSFYIVLOSA-N 456.572 1.164 30 10 JDEE C=CCN(c1nnc(COc2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1359253787 UUEBXMLDEVMBMH-UHFFFAOYSA-N 462.572 1.960 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1359296683 QNHHIGOSMQCOKF-UHFFFAOYSA-N 465.602 1.818 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)c3cccc(F)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1359305505 FGIXJNCGTMJBNL-XMMPIXPASA-N 486.548 1.334 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1359327150 TXTLLSBKWGYLGK-RDGPPVDQSA-N 469.608 1.207 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC1CCOCC1 1360699801 HYPZCMURJRLOAL-GOSISDBHSA-N 487.630 1.903 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](Oc3ccnc(C(=O)NC)c3)C2)c1 1450635009 QCCXVXWZLVKELL-GOSISDBHSA-N 458.540 1.589 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCCN(C)C)c1 1507539185 RXVHTBVFKQRDCS-NQIIRXRSSA-N 490.630 1.058 30 10 JDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1507642050 OOCWTSSLVMSMFN-OFVILXPXSA-N 467.570 1.978 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@@](=O)CC 1507701385 FKERSZKVPYXONH-WHUARKNTSA-N 497.618 1.159 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CN1CCCC1 1507821106 UINQIYSJJMJJFO-RBUKOAKNSA-N 454.641 1.745 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2)CC1 1507953468 GQPWCBFLGMKTHL-FQEVSTJZSA-N 460.604 1.904 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1507967041 GMAQCQQWDOUQCX-IAGOWNOFSA-N 455.581 1.488 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCC(O)CC1 1507981100 IWSCFDWDYXPCRO-HXUWFJFHSA-N 459.616 1.807 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1508071657 LASMQWFAAPYDTE-UHFFFAOYSA-N 493.612 1.488 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](CC)C2)cc1 1508101097 TTXRXYQBWOBCOX-FPOVZHCZSA-N 491.614 1.839 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N(C)[C@H](C)C1 1508135816 MMTPHFZESZDJIT-OAHLLOKOSA-N 463.560 1.230 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1508139387 GDEMKXFUJMTZBS-GOSISDBHSA-N 487.630 1.811 30 10 JDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CCN1C(=O)OC(C)(C)C 1512418463 GAPWMMZYNNUGTO-MRXNPFEDSA-N 489.602 1.812 30 10 JDEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 1515931100 FFORUUFGEXSIMI-SIKLNZKXSA-N 464.618 1.792 30 10 JDEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NC(=O)COC)CC2)cn1 1519183180 ICABZNRBFZKPDF-UHFFFAOYSA-N 478.557 1.439 30 10 JDEE CS(=O)(=O)N1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CCC(N)=O)CC2)C1 1519528996 HXHITWBFGUETJG-IBGZPJMESA-N 485.614 1.580 30 10 JDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(I)cc1 1539147871 DOOJHWVLBQLQSS-LBPRGKRZSA-N 473.340 1.611 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C)n(C)c1=O 1539266829 SOMRNQIGABLEBD-UHFFFAOYSA-N 456.554 1.580 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCOC[C@H]2C)n1 1539422821 MCPZUGJMGSEJRM-WOJBJXKFSA-N 469.590 1.669 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(S(C)(=O)=O)CC2)CC1 1539474187 KZLXWPPJRDRVSU-UHFFFAOYSA-N 476.990 1.537 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2scnc2C)CC1 1539847987 JYQCGXLEEJEWIY-INIZCTEOSA-N 452.606 1.775 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1540120836 WOTGUQSWSOMXOT-JOCHJYFZSA-N 470.555 1.486 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CCCO)CC1 1540864582 FLZLHGVGKJKIII-UHFFFAOYSA-N 461.588 1.640 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1540871231 HFFUCPGKESDPJD-RDTXWAMCSA-N 498.556 1.389 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1540872650 WGSGTOPIHZQXGW-LJQANCHMSA-N 468.602 1.869 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)Nc2ccc(F)cc2)C1 1540883339 YDVBGIDHFUUGLD-RHSMWYFYSA-N 466.539 1.447 30 10 JDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(CS(C)(=O)=O)CC1 1545545612 ALUZWZUQYAXIRH-DLBZAZTESA-N 472.619 1.993 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 1545776454 FENYSBIQHAKQCO-ZDUSSCGKSA-N 450.471 1.032 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(S(C)(=O)=O)C1 1554164893 BHCNDRVZGQXJMR-IBGZPJMESA-N 471.587 1.190 30 10 JDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1586736145 HIPMNCKNZOMIFL-VKJFTORMSA-N 450.561 1.987 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCCCCC2)nc1 1587990365 WIKNOBJSYDEQKV-FQEVSTJZSA-N 487.630 1.504 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588030691 ZSYJJIDJRZHTPV-DOTOQJQBSA-N 479.990 1.786 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1588034481 GSPKDTWPHMRART-XMSQKQJNSA-N 466.604 1.516 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1588069878 UNOZHUKWCFNKKX-OKZBNKHCSA-N 478.546 1.163 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCOC[C@H]2OC)CC1 1588954950 MZPOQOVJBISHCE-TZIWHRDSSA-N 452.559 1.281 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCS(=O)(=O)CC)CC1 1588962336 ZQBDMIDDEMXDAC-UHFFFAOYSA-N 487.626 1.874 30 10 JDEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1594767246 QBFQBCOIGNQODA-UHFFFAOYSA-N 484.536 1.429 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@]2(CCOC2)C1 1595490155 NYJDPYDUFMTOIJ-GOSISDBHSA-N 451.325 1.334 30 10 JDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1596428895 BGRAWHVUQJCGPL-AZUAARDMSA-N 471.587 1.203 30 10 JDEE CC(C)C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)N(C)C 1603223297 DUNSSJZKJYQCJR-HLIPFELVSA-N 471.603 1.029 30 10 JDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1618815173 DLHCEAAYGJINCZ-MFEFFIJZSA-N 454.531 1.638 30 10 JDEE N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 1628894902 FCZPGAPGXGOFTG-NHCUHLMSSA-N 451.502 1.137 30 10 JDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1634107425 DEHNRIJTYKOOBB-QKPAOTATSA-N 453.540 1.679 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)CSc2nc(C)nc3sc(C)c(C)c23)CC1 1650845896 ADMHMQCVIAHTPP-UHFFFAOYSA-N 453.615 1.320 30 10 JDEE C#CCNS(=O)(=O)N1CCN(c2cc(C)nc(-c3ccc(Br)cc3)n2)CC1 1651364150 QPMJQGRFTBHNJJ-UHFFFAOYSA-N 450.362 1.804 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 1671417047 RZLQQZSFDAUOIP-KRWDZBQOSA-N 450.461 1.977 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)Oc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689978122 NBCIVUXDKKEREN-QZTJIDSGSA-N 489.598 1.519 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1689978166 OFMMVXXRCJGDEA-GOSISDBHSA-N 475.619 1.222 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCOCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689988035 HRAGKQLNYSYSQU-RBUKOAKNSA-N 457.556 1.073 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1CC1(O)CCS(=O)(=O)CC1 1690054182 POZKVDQCLITQEF-UHFFFAOYSA-N 456.568 1.568 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ncnn2C(C)(C)C)CC1 1690148258 AOYFNHNUVYACBC-UHFFFAOYSA-N 461.574 1.625 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1690170283 DLKIFCALIVBLHR-HXUWFJFHSA-N 487.674 1.509 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OCC)cc2)C1 1690700889 ZFNAAOHDRDMOSL-NHCUHLMSSA-N 491.614 1.839 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1690722967 CSASUCOAERPWRV-CEXWTWQISA-N 454.556 1.574 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1690726760 KPHFXYJMFKMLIL-KRWDZBQOSA-N 461.544 1.141 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1cnn(C)n1 1705495082 KJAXNFSPJUBNIM-SJLPKXTDSA-N 458.567 1.806 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1705572320 XPIHHSXJKWKREF-KBAYOESNSA-N 461.592 1.000 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nccs1 1705623523 VJJWOTMXYFUKJG-UHFFFAOYSA-N 460.585 1.786 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@]2(O)CCSC2)n1 1705631505 HSYYPERBTXTBCV-JOCHJYFZSA-N 455.588 1.634 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1705649415 WYEXXVUKBCPMJS-OALUTQOASA-N 453.591 1.738 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1705699556 IQLXDEBTEZTULB-BDXSIMOUSA-N 452.581 1.188 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H]1C 1705913432 NZWLDWMCGGHPFZ-YLJYHZDGSA-N 477.587 1.449 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1705934547 PIJMZLHILVYKIA-IBGZPJMESA-N 493.033 1.806 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCC(=O)N2)n1CCCC(F)(F)F 1708152212 AMNQEHZIDDNIMQ-UONOGXRCSA-N 463.468 1.948 30 10 JDEE COC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1)OC 1712147648 FQIQKAAYTVTGEA-LJQANCHMSA-N 455.563 1.666 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCCC[C@H]1C 1722293111 BORMONOKHFKZDS-ZCNNSNEGSA-N 466.652 1.724 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(C)C)CC1 1722316355 HNJCKFHDQARRLH-LJQANCHMSA-N 452.625 1.381 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722326184 RDRSLGNKTFVJKO-FQEVSTJZSA-N 471.583 1.590 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1722360499 IEXKLQBWKHSNOZ-QGZVFWFLSA-N 476.509 1.955 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1722368913 UMCXWMQJJFGMBB-HKBOAZHASA-N 463.648 1.919 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722370650 DFSLVBUWBKBEJH-LJQANCHMSA-N 463.629 1.279 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1722371999 ZWSOSXSMZZAWIC-LJQANCHMSA-N 473.599 1.627 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](OC)C(C)(C)C)CC1 1722443354 RKEPEYQSOFLJMQ-NRFANRHFSA-N 491.600 1.948 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1722450094 XGPSEDOYULHZCQ-RUZDIDTESA-N 466.586 1.198 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)OCCO2 1722466613 AWFXABPNMDTTLA-KSFYIVLOSA-N 459.572 1.894 30 10 JDEE C=C(Br)Cn1c(N2CCC(C(=O)NCCOC)CC2)nnc1[C@]1(OCC)CCOC1 1722489693 RYTWXSIDMRTEGK-FQEVSTJZSA-N 486.411 1.818 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1722699744 XTNYDOXPMLUNDU-FQEVSTJZSA-N 454.575 1.805 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1722705161 AVNMLOJXHILCKM-GOSISDBHSA-N 453.503 1.737 30 10 JDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1cccc(OCC(N)=O)c1 1723185849 BJDGRBJUEPBQJT-UHFFFAOYSA-N 460.542 1.907 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCc3nccn3C2)c1 1740562847 RIXQFFOVGBJKPZ-IBGZPJMESA-N 474.569 1.932 30 10 JDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1740581996 IVGIPDMACAHECK-FQEVSTJZSA-N 488.570 1.898 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740628132 VSFVUVFLAMMSCU-HKBOAZHASA-N 457.600 1.712 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCN(CC)CC)CC1 1740695191 IMYYMYVWZQURNT-UHFFFAOYSA-N 462.602 1.679 30 10 JDEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740746466 KZOFBYOQYVDGCF-TZMCWYRMSA-N 456.366 1.903 30 10 JDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1740793191 PGAVTCUSMVXUAO-MRXNPFEDSA-N 451.531 1.452 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCc2ccccc21 1740932899 YQIHQJPFJOXHSF-OFNKIYASSA-N 473.599 1.623 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1740952169 WLBFZEOJJXXEKC-HXUWFJFHSA-N 478.557 1.551 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1740992636 SGZIVYSVUQSLDV-RTBURBONSA-N 465.620 1.516 30 10 JDEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1741000227 NNFJXAYLFGWQPM-UHFFFAOYSA-N 455.588 1.495 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCOc1ccc(F)c(F)c1 1741917618 GQLAUKJKRBFAIC-CYBMUJFWSA-N 454.503 1.985 30 10 JDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)C[C@@H]1C 1746453912 FJQMEJLUFLBMCX-PZJWPPBQSA-N 481.601 1.754 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1 1747441454 HSOKMMXYKOGMNH-UHFFFAOYSA-N 466.589 1.028 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1c(C)nc2ccccc21 1748791488 TYXGYQWOFZBBFX-LJQANCHMSA-N 457.560 1.039 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1CCN(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1748802134 LSIPYTKRXOPJRX-FQEVSTJZSA-N 476.647 1.263 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1748805777 WBHBZKUQASAQKB-AUSIDOKSSA-N 481.663 1.533 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(C(=O)NCC)c1)[C@@H]1CCS(=O)(=O)C1 1748811571 IOSZJWVDLWOBRQ-LJQANCHMSA-N 479.566 1.160 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1748824389 PAWIYUJAONUXOS-INIZCTEOSA-N 473.534 1.283 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(OC)CCOC1 1748858317 OVIXKFYLPNXLLE-MBSDFSHPSA-N 459.547 1.465 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1748891582 ARTPIAUIVMWOOY-PZJWPPBQSA-N 482.610 1.312 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CCNC(=O)c1cc[nH]n1 1748956763 ZMEDRZLCEXJLGC-UHFFFAOYSA-N 472.347 1.947 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(C(C)(C)C)s1 1749486965 AEEHBLYMIFBNOW-ZDUSSCGKSA-N 455.610 1.431 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1749650451 XQBSIVQXIPKDLN-INIZCTEOSA-N 477.610 1.848 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CC(=O)N1CCOCC1 1749656002 WWLXZDWBSOJVHS-UHFFFAOYSA-N 495.353 1.444 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1749663622 KUYSQCBHFNKJEM-KRWDZBQOSA-N 454.579 1.145 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COC)C1 1749690520 STILJDWTPOZLIW-RXVVDRJESA-N 491.614 1.697 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1749694163 PAPINMCTNLFJHP-HZPDHXFCSA-N 460.501 1.461 30 10 JDEE CC(=O)N1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1749846522 PNNVSKRFSQRYPZ-DLTPIXJPSA-N 497.531 1.752 30 10 JDEE CC(C)N(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1750880883 BHBZDZHGEGWSGH-IBGZPJMESA-N 489.646 1.929 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc([C@@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1760179118 MSLFRRWCFTUSMA-XLIONFOSSA-N 471.583 1.242 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CCCNC(=O)c1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1760190484 RGFUASQCNWTHPS-IBGZPJMESA-N 471.583 1.383 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1760191362 GEHIJKOBPOGOPE-KZNAEPCWSA-N 491.639 1.447 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2CC(=O)N(C)C)CC1 1760268742 XDAJSFRRMXONJV-UHFFFAOYSA-N 473.375 1.762 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1760440556 MIWVAEXQSCTWHI-SFHVURJKSA-N 496.037 1.952 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1760507588 QDVYYEHUPBMFDZ-UHFFFAOYSA-N 469.571 1.968 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1760521324 PUSBGEZPNGCQPK-SJORKVTESA-N 476.484 1.711 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2F)C1 1760522825 ZHSUEGPJLQWMNH-YJBOKZPZSA-N 463.535 1.199 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1760524966 PFIJKIUHSHFHMB-HXUWFJFHSA-N 476.585 1.877 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3cccc(F)c3F)CC2)nnc1[C@]1(OCC)CCOC1 1760528974 SDWLTQHKOUNFPM-QHCPKHFHSA-N 476.528 1.837 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nc(C)c(C)s2)C1 1760543270 OCGHVANRBSIQDE-SJORKVTESA-N 482.632 1.514 30 10 JDEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)no1 1761691197 GLYRKAPACZEQGZ-HNNXBMFYSA-N 471.543 1.544 30 10 JDEE N#Cc1cccc(C(=O)Nc2nc(N3CCN(c4ccccn4)CC3)nn2[C@H]2CCS(=O)(=O)C2)c1 1870053835 OUEMWJGDVUTICN-IBGZPJMESA-N 492.565 1.483 30 10 JDEE C=CCNC(=O)Cc1nonc1OCC(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)OCC 1872648976 CRLCBUUSRCGGAX-UHFFFAOYSA-N 480.499 1.655 30 10 JDEE CC(=O)N[C@H](Cc1ccccc1F)C(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1890479761 BLABCBMDMCJDKB-AREMUKBSSA-N 486.632 1.910 30 10 JDEE C#CCN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 2123524420 NZYSHGUALFNDFC-YKSBVNFPSA-N 475.611 1.805 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@@H]1C(=O)N1CC[C@@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2194129114 SJYKAOQQKBIVBL-SVTXKBIYSA-N 466.384 1.802 30 10 JDEE CC(C)(C)OC(=O)N[C@](C)(CO)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255947464 BCGPIPLAUDAYHT-IBGZPJMESA-N 476.426 1.601 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1C[C@@]2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)CO[C@H]1C2 2267147674 SYYCQTAFCCKHTI-RXSFTSLZSA-N 465.381 1.997 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1CO 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1.475 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C2(CNC(=O)[C@@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)COC2)CC1 2282645837 LJADFRXCLPHMSK-IAGOWNOFSA-N 465.400 1.907 30 10 JDEE C[C@H]1C[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN(C(=O)OC(C)(C)C)C1 2282700746 SFXUZEPHOQMXCX-LSDHHAIUSA-N 463.388 1.880 30 10 JDEE CN1CCC(N(Cc2ccccc2)S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CC1 2282836991 ALJMXWWAKGYTDC-UHFFFAOYSA-N 475.424 1.399 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CO 2283055117 DDPRWNRSZPYBMW-GJZGRUSLSA-N 462.356 1.124 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(F)(F)[C@@](C)(NC(=O)OC(C)(C)C)C2)n1 2361915623 IMESLXUZFVPCOU-IBGZPJMESA-N 471.314 1.489 30 10 JDEE COC[C@@]1(C)C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2364199665 KKNNWLCAQCREFC-RCDICMHDSA-N 464.372 1.853 30 10 JDEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)NCc3cccc(OC)c3OC)n2N)cc1 20913314 HWEBEEUMUFGDRC-OPEKNORGSA-N 499.553 1.650 30 10 JDEE Nn1c(NN=Cc2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 1084267609 UAONJJHBOCFHFM-UHFFFAOYSA-N 470.471 1.848 30 10 JDEE CC(=O)N[C@](C)(C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1)c1ccc(S(C)(=O)=O)cc1 1151411804 KBXPHSGCKCCEEC-GOTSBHOMSA-N 454.552 1.920 30 10 JDEE C#C[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1)c1ccc(F)cc1 1159132737 MZUQCTKQRYDNPN-MOPGFXCFSA-N 452.529 1.398 30 10 JDEE C#CCN(CC(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1191988025 VIVMNVJNDZWKIT-FQEVSTJZSA-N 453.564 1.986 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1286353067 QDLSDDDHSAEBOF-SQNIBIBYSA-N 458.563 1.715 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCc2c(OC)cc(OC)cc2OC)CC1 1286479507 HAIIEAYSZOMSLC-GOSISDBHSA-N 455.559 1.806 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(OC)c2)CC1 1286486905 RMNVCISWARTFKF-UHFFFAOYSA-N 473.537 1.948 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCS(=O)(=O)c2ccccc2)CC1 1286490878 VURAUWLEYFYEEW-UHFFFAOYSA-N 455.584 1.985 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286511030 FMRYFUMHFLLRLO-QFIPXVFZSA-N 470.603 1.321 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H](C(F)F)N1CCOCC1 1286516974 ODYVPFJXZIREOI-TWOQFEAHSA-N 474.578 1.236 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C(N)=O)C1 1286555021 WATGJALMFKTQDZ-GGPKGHCWSA-N 488.614 1.488 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNC(=O)Cc2cccc(F)c2)CC1 1286638207 WTKBFOQMUFDXIY-MRXNPFEDSA-N 464.567 1.543 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(CCC)C1)C1CC1 1286737823 OQJMDHHEAVTPKL-IEBWSBKVSA-N 452.625 1.498 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1286819829 XFLMEEKWIRZPAX-ROUUACIJSA-N 481.525 1.686 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1286820061 CYTONGDJZWFTEA-ROUUACIJSA-N 482.603 1.914 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1286958530 AASLBZKYISZUBT-GGPKGHCWSA-N 475.619 1.385 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@]1(O)CCO[C@@H]1C 1288154254 BNYLQAWRHAYDOT-WAIKUNEKSA-N 471.537 1.294 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccccc1S(=O)(=O)N(C)C 1300267736 JFJQNVCNJCTZPA-INIZCTEOSA-N 460.604 1.953 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](c2ccccc2)C1 1300412106 YBOFDUDTQPAGOQ-LEWJYISDSA-N 473.599 1.992 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(c2ccccc2F)C1 1300508950 BVQCQTJWXQAXPH-QZTJIDSGSA-N 458.563 1.627 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(C)=O)cc1 1300631871 XLFVNMSOVXFDQB-LJQANCHMSA-N 460.560 1.077 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)CN1CCOCC1 1300663548 DYCCHLYGQAEMBJ-SFHVURJKSA-N 465.558 1.648 30 10 JDEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCOCCC=C)CC1 1300686260 YVTKRPMTMCOPEN-UHFFFAOYSA-N 471.631 1.895 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(F)c(C)c2)CC1 1300711062 RTIXGZZNOXJPFN-UHFFFAOYSA-N 452.534 1.976 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1300754713 FSCSOHSYNPUBQZ-RXVVDRJESA-N 470.647 1.424 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccn1 1300883516 CBVCCWAVDCHWQZ-SXLOBPIMSA-N 476.603 1.624 30 10 JDEE C=C(C)COCCn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301001418 IJDCMCWNUQKBJJ-GHTZIAJQSA-N 471.624 1.382 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1301040053 BPZVRKJVRLWDKJ-SJORKVTESA-N 485.054 1.502 30 10 JDEE C=CCn1c(Cc2ccccn2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1301463405 WHNQWPXYUAKOKF-KURKYZTESA-N 474.587 1.576 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(N(C)C(C)=O)CC1 1301493009 TUTKITYFNYEQFC-UHFFFAOYSA-N 456.547 1.712 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2C)C1 1301501432 WYUHIHJUVYSXMX-MJGOQNOKSA-N 459.572 1.369 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1301505983 DNTHPHVJJHWLSZ-UHFFFAOYSA-N 463.542 1.866 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN(C(=O)NC)CC1 1301517770 CANUEJVKWDYKKV-UHFFFAOYSA-N 459.576 1.343 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(CSCCC(=O)OC)c2)CC1 1310290699 QYJWTANQGOBJOH-UHFFFAOYSA-N 454.574 1.100 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCC[C@@H](C)C1 1358994608 RYTOXCFWLLBGRC-FGZHOGPDSA-N 490.674 1.586 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CC(F)(F)CO2)CC1 1359031710 NAFUVPLLZKYDEY-QGZVFWFLSA-N 465.526 1.528 30 10 JDEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NCC)CC1)c1ccccc1 1359193820 JZIXVHOIYVYEFH-SFTDATJTSA-N 465.602 1.847 30 10 JDEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C)C(=O)[C@@H]1C 1359227206 WFPMKUUWIYTKIJ-SFHVURJKSA-N 454.579 1.712 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC(N2CCCNC2=O)CC1 1359305300 ZKDGKHVAOBWILC-UHFFFAOYSA-N 483.573 1.552 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1359332188 RFWRCJHTWAYUFM-LJQANCHMSA-N 492.602 1.816 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1359335965 ZXSHUDLZWGPZOO-JOCHJYFZSA-N 473.555 1.325 30 10 JDEE CC(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)N1CCOCC1 1359665475 APIFLCXNNUQIAU-IRLDBZIGSA-N 481.601 1.787 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1507628459 WRZIOUGDNJTNFV-RXVVDRJESA-N 479.628 1.565 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)COC 1507702653 WANXUORYZYTYBL-YLJYHZDGSA-N 479.578 1.672 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCS2)CC1 1507735621 CUCBBDXQVZCFSF-DOTOQJQBSA-N 468.649 1.140 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1507752122 SLVMYWJZZVUYRU-KRWDZBQOSA-N 496.618 1.185 30 10 JDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507791241 JPASGMZBUZBWPA-CQSZACIVSA-N 455.357 1.211 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1507806305 MOGBEMXCPPMPFB-XLSPSMHOSA-N 453.609 1.640 30 10 JDEE C=C(Cl)Cn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1[C@@]1(OCC)CCOC1 1507873112 AGLDGDLJYHYOOQ-OAQYLSRUSA-N 460.970 1.923 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1507964297 AGZSYPGNTHQDAR-SJORKVTESA-N 469.608 1.876 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC2(CCN(C)C2=O)CC1 1508079372 SNHOKUZMHJPJIH-UHFFFAOYSA-N 468.558 1.713 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3OC)n2CC2(O)CCS(=O)(=O)CC2)C1 1508129450 QTEQEZBWMBDFPA-SFHVURJKSA-N 492.598 1.587 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2NC(=O)CC2(C)C)C1 1508130910 KAFAOHCZDPYGFD-NVXWUHKLSA-N 458.588 1.966 30 10 JDEE CCS(=O)(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1516848965 AEMSQGTYTCYTNO-FQEVSTJZSA-N 473.603 1.657 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)NCCNS(=O)(=O)c3ccc(Cl)s3)cc2C1=O 1536345764 XNPPGLMIRBWUNV-UHFFFAOYSA-N 453.929 1.892 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccco2)c1 1539037035 ADIUGIMLBDVLDG-OAHLLOKOSA-N 456.528 1.586 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)C(=O)NC)c1 1539044007 XWUYBQNMLNFUPR-KRWDZBQOSA-N 486.598 1.009 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCCS1(=O)=O 1539405903 PLCPULCNYIZVJU-SFHVURJKSA-N 460.556 1.770 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1539751345 LKMPYTYBOSCGPZ-QGZVFWFLSA-N 489.664 1.023 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COCCO1 1540133856 OWBLDJNNSUONGX-UXHICEINSA-N 477.587 1.219 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1540868140 SYPBGLSLBSUTBE-UHFFFAOYSA-N 451.531 1.758 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCS(=O)(=O)N(C)C)C1 1540890355 DHFQLPICASDWSF-LJQANCHMSA-N 490.634 1.125 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](Oc2ccccn2)C1 1540897575 NBAWQWOAZGKHRK-KRWDZBQOSA-N 483.554 1.579 30 10 JDEE Cn1nccc1C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1554365730 FTONEHWNOXKETA-UHFFFAOYSA-N 454.560 1.483 30 10 JDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1554489143 DNDPRWTZTYIFQN-NRFANRHFSA-N 478.557 1.584 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCOCC1 1587639034 JDJXIYWHCQPOGH-RXVVDRJESA-N 457.600 1.519 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC2(C)C)c1 1587683211 DXVLIONAZKNKQW-RDJZCZTQSA-N 458.588 1.991 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2COCCO2)c1 1587684294 VMVUWEFGFKXSGV-HXUWFJFHSA-N 468.558 1.668 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CCOC[C@H]2OC)c1 1587689624 NSVXZERFYYHAPE-GHTZIAJQSA-N 461.526 1.843 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Cc1ccc(OC)cc1 1587989329 JAKQBYCDKUWZEH-XLIONFOSSA-N 461.588 1.568 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588049920 NFXSFUYSLJRXOS-ULQDDVLXSA-N 494.618 1.017 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1588064793 PGCFTIKBLIWYSS-FQEVSTJZSA-N 451.552 1.948 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC(=O)N1CCOCC1 1588093937 SBXLVBCGAJPLPR-UHFFFAOYSA-N 467.526 1.293 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2cccc(F)c2)CC1 1588923611 GMNOQSYZLGOUKX-LJQANCHMSA-N 454.506 1.413 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1588961735 KKMKKEVYJPLGGD-AVRWGWEMSA-N 478.553 1.234 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1595569996 UDJWQULDCHWVPU-UHFFFAOYSA-N 481.601 1.758 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1595701196 XTYDEUCYMNXNOK-FDDCHVKYSA-N 492.598 1.683 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NC2CCCCC2)C1 1595720656 AIIGJGBPWOZCFK-AEFFLSMTSA-N 451.593 1.410 30 10 JDEE C=CCS(=O)(=O)CCn1c(N(C)CC(=O)N2CCOCC2)nnc1C1(c2ccccc2)CCC1 1595830612 DNDDXRLHJOOTRL-UHFFFAOYSA-N 487.626 1.644 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1595830716 FUJIZWMPYTXLHE-IRXDYDNUSA-N 475.571 1.181 30 10 JDEE COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)/C(=C\NCCOCCO)C(=O)C[C@H]1C)C2=O 1615242951 QFWPDMARIIBIED-LLKLCMEXSA-N 453.875 1.332 30 10 JDEE CCN1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1615892765 FRGNGOCSZBIYQO-NRFANRHFSA-N 450.591 1.765 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1615937629 BGRSNCBCNDGTOT-SFTDATJTSA-N 494.644 1.574 30 10 JDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC(O)CC1 1617292585 DRQOFFQSGHFZIK-UHFFFAOYSA-N 460.604 1.534 30 10 JDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1617572460 FAEBJABSOBOXIO-FQEVSTJZSA-N 464.574 1.086 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C(CC)CC)N1CCOCC1 1689851964 YGZKOTOROPQMMA-IHPCNDPISA-N 451.637 1.775 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689977714 BGZWBWLKXPAIST-GOSISDBHSA-N 485.614 1.427 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1CC[C@H](C(F)F)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689991325 ZSHORZDXVPSRPW-RTBURBONSA-N 485.601 1.918 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(CN2CCOCC2)CCCCC1 1689999426 AOVUYJQMDZPUTG-FQEVSTJZSA-N 476.647 1.244 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC2(OCCOC)CCOCC2)CC1 1690129278 TVUYUHIYXSYMGK-UHFFFAOYSA-N 459.616 1.898 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)c2cccs2)CC1 1690132424 PSDWTZSHZATFOO-UHFFFAOYSA-N 452.588 1.386 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ncccc2N(C)C)CC1 1690137435 YSQWGGNHTOPZNE-UHFFFAOYSA-N 487.568 1.401 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2cnnn2C)CC1 1690148563 LBYFTLZUTGUDQD-UHFFFAOYSA-N 454.485 1.290 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(C)CN(C)C2=O)CC1 1690148757 SFVAIAKWZRFFDI-VWLOTQADSA-N 464.570 1.322 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)C2CC2)CC1 1690236225 KACSQOBYLPXZIN-SUMDDJOVSA-N 480.635 1.365 30 10 JDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCS(C)(=O)=O 1690310317 ZXMAYMVQQJLBIC-UHFFFAOYSA-N 460.560 1.266 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(CC(=O)NC)CC1 1690659606 XXOCEXANFGUTKK-UHFFFAOYSA-N 467.574 1.802 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1690661819 IGAQBEHLWJFYCM-DEOSSOPVSA-N 481.557 1.750 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1690673714 BBYADPBNCDDJSM-UHFFFAOYSA-N 466.571 1.053 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@@H]1CC 1690678047 JHEUPSTUYMVDMA-HOTGVXAUSA-N 461.567 1.367 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC3(CC2)CNC(=O)C3)cc1 1690679515 XGXNTHZBRXCFGC-KRWDZBQOSA-N 488.614 1.608 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1690724463 POZRLALTULSXPP-SJORKVTESA-N 469.608 1.876 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCCN1CCCO 1705491179 ZHMVUUWOHWWJRS-RTBURBONSA-N 463.586 1.980 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1705495033 JWNWTTKNVNXHAW-XHSDSOJGSA-N 463.526 1.291 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1705524642 QBXAUAFDDXSSQV-HOTGVXAUSA-N 454.597 1.747 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705558929 MFIJXHUDSYJGEJ-GOSISDBHSA-N 465.620 1.640 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1705559797 BMTQVQJFPQFBJK-INIZCTEOSA-N 491.524 1.833 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705560831 LBFBKFMBUUKPMO-DZGCQCFKSA-N 469.409 1.613 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1705565428 UPLVYZUALBVLRO-IRLDBZIGSA-N 480.594 1.702 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cnn(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1705567257 VDDSIAWZWKZEPC-AZUAARDMSA-N 460.604 1.618 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1705568441 NPSGNGDRPRLOJY-FQEVSTJZSA-N 492.561 1.807 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1705569125 ZTNAOASDXMRDDJ-OKXSDPAFSA-N 476.624 1.703 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@@]2(O)CCSC2)n1 1705631506 HSYYPERBTXTBCV-QFIPXVFZSA-N 455.588 1.634 30 10 JDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCS(=O)(=O)c2ccccc2)CC1 1705641016 NGLNVEXUNGYEEE-UHFFFAOYSA-N 450.568 1.493 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2cnnn2C)CC1 1705644080 GKHNRCOWSFPACM-UHFFFAOYSA-N 475.557 1.290 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@]2(O)CCSC2)CC1 1705650644 WCMJTAQOMCQLCN-XMMPIXPASA-N 453.612 1.897 30 10 JDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1705828841 AEPAKWHFDIPTJE-MRXNPFEDSA-N 495.631 1.098 30 10 JDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)N(C)C 1705873320 DTQLAXHJVQLQTB-UHFFFAOYSA-N 457.560 1.262 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1705883769 USLVSGHURLIZDL-KRWDZBQOSA-N 453.547 1.953 30 10 JDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(OCC(N)=O)CC1 1705892577 PWNRSZSCIDCTMZ-UHFFFAOYSA-N 453.591 1.300 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1705895033 RIJREGVXDHSRAZ-SFHVURJKSA-N 479.585 1.944 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1Cc2ccc(Br)cc2C1 1705907234 FIRIAKSCWLGNQM-UHFFFAOYSA-N 459.348 1.985 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C)C2)cc1 1705911644 MUBQQWSCTZWSHU-YLJYHZDGSA-N 477.587 1.449 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOC(C)(C)C)C1 1705924333 CDWYFAFDDIOXEP-DLBZAZTESA-N 457.597 1.207 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1705939823 NJUNRPMGMHNQOC-UHFFFAOYSA-N 498.657 1.979 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC(C)CC2)CCO1 1706047577 COXHZIWPBFSTHU-QFIPXVFZSA-N 451.575 1.890 30 10 JDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCS(=O)(=O)Cc1ccccc1 1722342844 ZXYDNYXKKCHOLK-UHFFFAOYSA-N 452.540 2.000 30 10 JDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1722359811 BLGJHAOMMWXTEQ-FQEVSTJZSA-N 481.582 1.236 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722371436 JAXXPVNUYFVHFB-PMACEKPBSA-N 485.614 1.662 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccnc2)C(C)C)CC1 1722438026 RSZYJUGBLJXIDT-NHCUHLMSSA-N 456.616 1.770 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2CC(=O)NC(C)C)CC1 1722450277 BPGUSOXHUHHATC-UHFFFAOYSA-N 466.586 1.910 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1722458299 GOBWJCHUQVCZSB-KRWDZBQOSA-N 474.537 1.836 30 10 JDEE C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722487108 KBEVCUBLPVUSML-GDBMZVCRSA-N 475.347 1.785 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1722602713 BNPLKBKMSHZCCT-OALUTQOASA-N 479.607 1.279 30 10 JDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](N1CCOCC1)C(F)(F)F)C1CC1 1722646667 KHIVBFQKLFJWSO-ZFWWWQNUSA-N 466.530 1.306 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCN(C)C1 1722659812 DHLSWUNAVMPRHW-AVRDEDQJSA-N 463.579 1.579 30 10 JDEE C=CCNC(=O)Cn1c(N2CCc3nc(C(F)(F)F)ncc3C2)nnc1[C@]1(OCC)CCOC1 1722703955 MFYZHQPBHQREPB-FQEVSTJZSA-N 481.479 1.604 30 10 JDEE C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1726751349 BYVKOAITOARWSM-GHTZIAJQSA-N 488.614 1.463 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CCOCC2)c1 1740562876 RSAWHBGRIQUDPD-UHFFFAOYSA-N 489.536 1.523 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)CC=C 1740647058 IRLORHSEGRHYDK-UHFFFAOYSA-N 460.581 1.412 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC2(CCCCC2)O1 1740671292 CXPVRQJPHPLSEJ-OALUTQOASA-N 465.620 1.952 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1740691009 RXNQZNUBKDWJBH-MSOLQXFVSA-N 474.528 1.020 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(NC(C)=O)cc2)CC1 1740703903 DBCZJNKRIFSZEZ-UHFFFAOYSA-N 458.526 1.708 30 10 JDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCN1CCOCC1 1740718920 XEJNZMVFVPQHPA-UHFFFAOYSA-N 470.647 1.587 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1740951453 GEAGSVONKLRBKI-GPJFCIFZSA-N 459.639 1.911 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)c3ccc(C)s3)CC2)nnc1[C@@]1(OCC)CCOC1 1740965879 UGWDPRPRZRYAPW-HSZRJFAPSA-N 488.614 1.565 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1740987706 LFPJBZWUTQXPSH-IRXDYDNUSA-N 466.585 1.317 30 10 JDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ncnn1C(C)(C)C 1747664930 HEZRICBEIFNMSP-UHFFFAOYSA-N 463.546 1.507 30 10 JDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1748739543 BYNOEPZJWBGJGS-UHFFFAOYSA-N 489.598 1.964 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748811880 NERBEHZMTLAARU-GOSISDBHSA-N 487.607 1.384 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCN1CCCO 1748829310 ZPBPXAKKSSNJTM-HXUWFJFHSA-N 483.642 1.466 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCOC[C@@H]2C)CC1 1748971695 YYUVDTXDQWABIE-NRFANRHFSA-N 465.602 1.623 30 10 JDEE C#CCSCCn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749049724 PQLDFXHZEVMMAC-ZJPYXAASSA-N 493.630 1.775 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCCS1(=O)=O 1749600686 JQNWEAUFFSHDGA-QZTJIDSGSA-N 455.625 1.871 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@@](O)(c3ccccc3F)C2)nnc1[C@]1(OC(C)C)CCOC1 1749682557 VGOGTNFBUBVSIK-ZEQRLZLVSA-N 473.549 1.858 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC1CC1 1749723829 CZSUERLSSXYJHO-UHFFFAOYSA-N 466.633 1.994 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1749734978 PAIUMKUPHDNYDF-IAGOWNOFSA-N 474.649 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JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1286495771 DYKGNEUJURRWMX-HNNXBMFYSA-N 494.643 1.555 30 10 JDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1286503178 AVORMGUCEGLRHM-QFIPXVFZSA-N 469.659 1.938 30 10 JDEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286506251 RMWBWPAJRDCLTE-KRWDZBQOSA-N 451.593 1.892 30 10 JDEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C)C(=O)[C@@H]1C 1286507587 BWDUJOUOXCKCIS-NRFANRHFSA-N 481.670 1.676 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1286767793 GNBYYZWNSJTUSE-HJPURHCSSA-N 454.531 1.371 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CCCOC2)C1 1286781797 ATUPLCHDUOZZPI-JOCHJYFZSA-N 459.572 1.658 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1286820877 UNOJXBXWATYXTE-DBXWQHBBSA-N 454.593 1.547 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@](C)(C#N)C1 1288274307 HRPCHPYHAMTZJE-JOCHJYFZSA-N 470.603 1.974 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1300339850 SABJGPTZUQVKSD-SJORKVTESA-N 476.607 1.089 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300504651 PKLNOKASPAUGNN-RTBURBONSA-N 460.604 1.582 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)Cc1ccccc1 1300631161 MSNBSMOYIHHESS-FPOVZHCZSA-N 474.631 1.591 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(-c3nc[nH]n3)cc2)CC1 1300684097 XGOYDXGOQCPIBQ-GOSISDBHSA-N 450.547 1.591 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCC(F)(F)CC2)CC1 1300699516 DTPUMGMEZRSZGB-GOSISDBHSA-N 486.589 1.192 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1300889114 BGXYZMLUQCJSSA-UGKGYDQZSA-N 491.662 1.981 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)NC)CC1 1301480508 AJFZPDZEYYRINQ-KRWDZBQOSA-N 471.562 1.580 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C)c1 1301587930 AWUORMAYVPVGJF-IBGZPJMESA-N 497.643 1.157 30 10 JDEE COCCN(C)CCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1301735527 CAXQJWKIJXYDDX-UHFFFAOYSA-N 461.574 1.435 30 10 JDEE C[C@H]1OCC[C@]12CN(c1nnc(COc3ccc(C#N)cc3)n1CCC(=O)N(C)C)CCO2 1305250824 CLDZAOLJFBWVEF-HXOBKFHXSA-N 454.531 1.591 30 10 JDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1cccs1 1314873462 DLZWZTVNMNAKBY-HXUWFJFHSA-N 460.585 1.771 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1358902176 GWCRYGSBLMPOKZ-HKUYNNGSSA-N 484.582 1.110 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC(F)F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1358954946 BDEKNYPECRCASY-OAHLLOKOSA-N 499.515 1.832 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1358960415 DOFNBXFZTXAYOK-OAHLLOKOSA-N 477.472 1.824 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccc(F)cc1 1358977988 BDLWGSOEYGZOOW-FXAWDEMLSA-N 459.547 1.627 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCO[C@H]1CCCC[C@H]1C 1358994713 UXUIVADZGNPQGS-HKBOAZHASA-N 477.631 1.669 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1359010490 RCMREXPQZKTNEJ-IAGOWNOFSA-N 484.623 1.374 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1359047633 NTMGLPPPOPSPEQ-FQEVSTJZSA-N 482.560 1.877 30 10 JDEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)CCS(C)(=O)=O)c1ccccc1 1359138834 FRZBVIDSDJTXDR-GOSISDBHSA-N 452.602 1.765 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1359215826 JVIZHOPAVNXUJT-SFHVURJKSA-N 484.623 1.492 30 10 JDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1359283802 WJSXEGCBASQPCS-KRWDZBQOSA-N 495.675 1.840 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1359301999 SXXADDHYWGJYEP-PZJWPPBQSA-N 456.566 1.857 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)nnc1[C@@]1(OCC)CCOC1 1359305563 GZXYIAUWRLPRIG-HSZRJFAPSA-N 485.545 1.467 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2csc(C)n2)CC1 1359306276 AOPNYVONHROQRA-PXNSSMCTSA-N 475.619 1.391 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCOCC2CC2)CC1 1359400665 SDTFHDDAIVVTOT-UHFFFAOYSA-N 451.575 1.844 30 10 JDEE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c1 1447214483 GHSJTKFSMQXBLN-HXUWFJFHSA-N 456.524 1.138 30 10 JDEE C=CCCS(=O)(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1463116389 YYSLWJAQGVTZPS-UHFFFAOYSA-N 451.408 1.746 30 10 JDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 1463386386 FTHPEGDAWILDQP-UHFFFAOYSA-N 452.341 1.418 30 10 JDEE C=CCN1CCC(NC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)CC1 1476309003 LOLKGDGUOWBXHA-UHFFFAOYSA-N 451.593 1.545 30 10 JDEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CC(=O)N(CCOC)C2)c2ccccc2c1=O 1502359580 CEVKXRUODSFYFH-QZTJIDSGSA-N 492.584 1.908 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1503264257 AFLBWJRPLSUKAD-UHFFFAOYSA-N 494.643 1.502 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)NC(=O)OC(C)(C)C 1504887253 AOEZYYYWYMVORP-INIZCTEOSA-N 484.623 1.850 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1507627799 FZJUMPTWZAHORF-PMACEKPBSA-N 487.626 1.427 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1507631307 NXGKLYREHGUENI-FXAWDEMLSA-N 498.609 1.490 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCc1ccc(S(N)(=O)=O)cc1 1507656339 GQAIKXXXDMQKGG-UHFFFAOYSA-N 454.581 1.597 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1507712362 WXRBPDIROVKAMX-LEWJYISDSA-N 472.615 1.554 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C)o3)n2C[C@H]2CCS(=O)(=O)C2)n1 1507717252 SSKRQRDAVLBFHI-GOSISDBHSA-N 472.571 1.764 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2C[C@@](C)(O)CCOC)CC1 1507723925 ZKQOFLDZRKMYJJ-SANMLTNESA-N 493.612 1.608 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1507732370 UTWXMVYGEUGLKM-OALUTQOASA-N 473.599 1.412 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1507915748 YOVKEQJMZXSKGH-MOPGFXCFSA-N 467.684 1.707 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Br 1508038325 IMPIHUWGICQZAL-AWEZNQCLSA-N 464.386 1.158 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1508093535 VHACIAUIKHQDON-RUZDIDTESA-N 495.584 1.591 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)cc2F)C1 1508111112 WJUQNDGBMGPSPS-RHSMWYFYSA-N 453.540 1.866 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ncnn2C(C)(C)C)C1 1508116804 SCKRIWBQRYUHRR-LSDHHAIUSA-N 452.585 1.064 30 10 JDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1508135699 NTHVWDLTCWBKOB-UHFFFAOYSA-N 460.604 1.565 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1508144617 QWZFHPOMTJLOJP-NRFANRHFSA-N 473.643 1.937 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)O[C@H](COC)C1 1508146155 UYUJIIHHCUJOBU-HOTGVXAUSA-N 470.542 1.988 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1508147907 NDFVHXMTDPCTKN-UHFFFAOYSA-N 470.603 1.254 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(C)(C)O)C[C@H]2C)CC1 1508278079 ZYYSLIYLGQWWBQ-XMSQKQJNSA-N 465.602 1.967 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1 1525998476 SACXGHFIDQTIOE-UHFFFAOYSA-N 459.499 1.539 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1539203268 ORIPYWVTNIIZTG-AEFFLSMTSA-N 477.562 1.710 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)COC)CC1 1539507163 RXYZEGBYOFUVNV-UHFFFAOYSA-N 459.572 1.624 30 10 JDEE C=C(Br)Cn1c(C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1539578831 CDMGDFYNCFEBLI-MCIONIFRSA-N 476.397 1.622 30 10 JDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1539926120 IMWAMEBPOBKWNF-SFHVURJKSA-N 457.623 1.792 30 10 JDEE C=CCOc1cc(OC)ccc1C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 1540845832 IAUSGSDSAWDULB-IAGOWNOFSA-N 453.561 1.372 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1540862086 QTNXZFWSORKTPU-LPHOPBHVSA-N 471.993 1.837 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540862879 LLLXUPIWMZXWAE-HOTGVXAUSA-N 480.566 1.330 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1540871840 VIZGHCYKZFNZPJ-FHWLQOOXSA-N 489.621 1.562 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(=O)NCC)CC2)cc1 1540877607 ACVZYJMMBVBPMF-LJQANCHMSA-N 453.547 1.694 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CCCOC2)C1 1540907245 PVQSZKBJDIENEL-NRFANRHFSA-N 479.628 1.877 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC2(CC1)CNC(=O)C2 1540907280 QQCBHBVMOHWWAV-UHFFFAOYSA-N 457.600 1.771 30 10 JDEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)S(C)(=O)=O 1547572840 AMDMNZLYSANKLZ-IBGZPJMESA-N 494.643 1.502 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1587692308 CBAUSKXZHUVUEV-FNWSHLARSA-N 489.536 1.365 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2(C(N)=O)CCCC2)c1 1587693123 PHIIFAJTTXOERT-SFHVURJKSA-N 463.542 1.331 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1C1CC1 1588384758 ASNMHDWORNQIPW-RTBURBONSA-N 450.609 1.087 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1cccc(OC)c1 1588386310 OTZAEWFEBHRSDN-PXNSSMCTSA-N 477.587 1.547 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCS(=O)(=O)C2)CC1 1588913456 KGHVZPVVUUZXSW-MRXNPFEDSA-N 459.547 1.485 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCC1 1589545280 MVHRYMFMOZYZRV-FHWLQOOXSA-N 453.609 1.973 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCn2nc(C)nc2C1 1593833922 GPGNSDBYXJNNJF-UHFFFAOYSA-N 462.967 1.868 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)N(CC)CC)CC1 1594240900 BZUXRGVENPQCDA-MJGOQNOKSA-N 454.641 1.744 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1594733062 MGRWNVXUXJCRRO-IRXDYDNUSA-N 463.608 1.975 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2nccnc2C)CC1 1595506455 AWEGOXIEXLBEJP-UHFFFAOYSA-N 478.557 1.690 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1595871438 QUEJYRUBTSMNPR-YTQUADARSA-N 461.636 1.137 30 10 JDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1596096333 NBSLWGIDIFDGTI-VZCXRCSSSA-N 453.503 1.432 30 10 JDEE CCc1nn(C)c(OC)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1613897812 GISUEFAGEDAHJU-OAHLLOKOSA-N 486.602 1.749 30 10 JDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1617399102 BUSLXQOGXJOYTR-UHFFFAOYSA-N 489.646 1.979 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2F)CC1 1639425080 IWNBWLJHGYVSCF-KRWDZBQOSA-N 455.577 1.214 30 10 JDEE C#CC1(O)CCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)CC1 1646157450 RONHGMWPZPUNAY-UHFFFAOYSA-N 455.536 1.724 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCNC(=O)C(C)(C)C)c1 1689870386 MBZSSODOSGCQEM-UHFFFAOYSA-N 462.558 1.897 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN2CC)c1 1689872199 RGAFLYZDWJXJSI-FPOVZHCZSA-N 484.626 1.721 30 10 JDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(CNS(C)(=O)=O)CC1 1689926857 ZCIDVEPLJWONBV-UHFFFAOYSA-N 497.625 1.854 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1689987803 CMLAHVSKQZDTNK-NUJGCVRESA-N 475.546 1.463 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCCCC2)nc1 1690000358 ZQPYVHJYTYCWDC-IBGZPJMESA-N 469.615 1.785 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCN1CCN(C(C)=O)CC1 1690008985 SXXFKXDDODJJOC-UHFFFAOYSA-N 499.413 1.953 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1690101029 LJSWSFONWXCKMF-TZIWHRDSSA-N 472.615 1.939 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1690109562 WBZUGQDFWDSUDP-OAQYLSRUSA-N 459.639 1.309 30 10 JDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1690466968 HRHFNELYHGFKKD-SFHVURJKSA-N 450.609 1.761 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)CC(F)(F)F 1690528238 YJCGROHNYXGMBX-AWEZNQCLSA-N 454.519 1.117 30 10 JDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1690640961 WXZSNPWSRFSLRN-INIZCTEOSA-N 471.587 1.486 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1690671440 WAXDGFUMNNTMLS-RDTXWAMCSA-N 497.980 1.853 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1690714891 XTKGIFHLDFKYDW-UHFFFAOYSA-N 485.570 1.400 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)OCCc2sccc21 1692661204 CSQYNRXEKOYTJS-QLVMHMETSA-N 494.643 1.899 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CCCCO1 1692793380 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C=C(Br)Cn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1705691496 ZEBGUBCSSNALPC-YOEHRIQHSA-N 463.398 1.851 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CCC)C(=O)C1 1705700590 WBFFBGXUMFTLJV-BJLQDIEVSA-N 465.620 1.610 30 10 JDEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705725133 LEYKLJIROOOHMM-KRWDZBQOSA-N 473.578 1.116 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1705819711 SHXOZPJLJROROR-FQEVSTJZSA-N 486.602 1.794 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1705898558 PKONXUMIBLVQFL-QGZVFWFLSA-N 476.603 1.364 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1705907000 XCLAKFFRGVBCKA-UHFFFAOYSA-N 464.448 1.925 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1722368415 RCTKAVIEZKWPMH-RTBURBONSA-N 451.637 1.340 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1722372067 OOJCETUAGALKIV-OAQYLSRUSA-N 497.625 1.862 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(F)cc1 1722384974 WUDFFMDNGFWILU-XLIONFOSSA-N 475.546 1.290 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sc(C)nc1C 1722475381 UHZQKXPHTIHYLL-DYESRHJHSA-N 478.644 1.919 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1722511874 PCSDFJNYXFEGFD-LJQANCHMSA-N 471.591 1.747 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1722624309 ZRZMUJFFXVKMAI-XLIONFOSSA-N 463.604 1.995 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(N2CCCC2=O)CC1 1722694879 LKVGSGRHQVDODA-UHFFFAOYSA-N 468.558 1.856 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1722704324 QZDCEZLWPPUJRV-MRXNPFEDSA-N 456.572 1.692 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nnc1C(C)(C)C 1722732260 WYBBERIADVYENW-UHFFFAOYSA-N 499.634 1.826 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722748842 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C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccc(OC)cc2)CC1 1740705049 BFTZDZCYWYHQII-FQEVSTJZSA-N 466.542 1.283 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1740706183 QPXGGUVRDVGTLK-FQEVSTJZSA-N 455.607 1.064 30 10 JDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1740792195 GMIDNXUVTOGHHX-QGZVFWFLSA-N 494.618 1.706 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCO[C@@H](C)C1 1740952532 HJNVLYIXFBLCEP-HNNXBMFYSA-N 461.592 1.464 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1740959592 ANCXEWMPJWNQRF-GOSISDBHSA-N 456.522 1.576 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)C(=O)C2)cc1 1740966313 RWSKDEWOJSQYBG-MRXNPFEDSA-N 474.587 1.312 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1740988116 TYHTVMWOCLGFBK-SFHVURJKSA-N 474.543 1.655 30 10 JDEE CCN1CCN(C[C@H](C)Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 1746457887 CDRNNFMYEJMHGA-OALUTQOASA-N 452.611 1.237 30 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BYDGUNZPYWGQKN-QGZVFWFLSA-N 476.603 1.455 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CCCO2)CC1 1749229075 GHHYYJKZRVQRID-UXHICEINSA-N 483.635 1.599 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNS(C)(=O)=O 1749488759 ZLEWQHFOJAOOSC-MRXNPFEDSA-N 456.613 1.954 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@@H](c2ccccc2)C1 1749650612 CKLZVWZLNAYCIM-FUHWJXTLSA-N 462.576 1.159 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1749683068 IGTFCWSSDVWAGM-TUNNFDKTSA-N 473.666 1.715 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](C)N(C)C)C1 1749696028 NPOWNGRNXSPILQ-IEBWSBKVSA-N 462.620 1.927 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1749721271 FIOHERBRXGINDH-UHFFFAOYSA-N 460.604 1.763 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1749730017 XAKLQRLPLJUKOJ-UHFFFAOYSA-N 470.530 1.933 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccsc1 1750966490 HMRNOZDFOYMVLQ-OAHLLOKOSA-N 451.560 1.903 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1760192412 UITVWSQWDCSUIL-UXHICEINSA-N 450.605 1.833 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCSCC1 1760203796 QERGJVJVFHMNNA-LJQANCHMSA-N 474.631 1.708 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)c2ncc(C)s2)CC1 1760268145 DAUUZLOCMZTQHG-YOEHRIQHSA-N 455.588 1.764 30 10 JDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760277961 WSBBLLGSWPWGNC-HSZRJFAPSA-N 463.567 1.998 30 10 JDEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)C(=O)C1 1760357538 KSEODXIMQHARMD-LJQANCHMSA-N 490.605 1.990 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760515091 KNFZEYDPYPPURV-GOSISDBHSA-N 471.949 1.667 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1760517655 ULDIDOVHFPRGSW-UHFFFAOYSA-N 483.529 1.231 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1760554639 IWSCPBQTMZRNGC-HXUWFJFHSA-N 458.563 1.785 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1760558734 YJRYVJFJWYIZQV-YJBOKZPZSA-N 463.535 1.312 30 10 JDEE CC(=O)N1CCN(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1760620632 GOCLAIGYQJLLOQ-UTKZUKDTSA-N 471.537 1.450 30 10 JDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)N(C)C 1761395353 ACZCCIKWNVAAQE-RXVVDRJESA-N 487.630 1.398 30 10 JDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1769324783 BTZYNTWWAIUJIH-KRWDZBQOSA-N 459.576 1.061 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@]1(O)CCS(=O)(=O)C1 1769818932 FULPTCQJRJQJGJ-QFIPXVFZSA-N 470.555 1.347 30 10 JDEE COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1771117088 BFZJQGZLMSLYHC-IBGZPJMESA-N 460.560 1.094 30 10 JDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1771535924 CYNUZJBSSXYZBM-FZKQIMNGSA-N 472.354 1.530 30 10 JDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862744974 YSNIYHBROLDUTG-GOSISDBHSA-N 470.394 1.923 30 10 JDEE CCCCCCCCCCN1C[C@@H](C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1=O 1873016018 FHPLVUUPASOYJH-QFIPXVFZSA-N 464.651 1.979 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255645150 FVRAAQIKVCZEJD-QWHCGFSZSA-N 453.370 1.542 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2255809571 ZSRTXIDOCOAVMS-CYBMUJFWSA-N 453.370 1.808 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2255844373 VWASVQQJMHVKBB-JSGCOSHPSA-N 453.370 1.400 30 10 JDEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267096778 LFARNKGXKGTIEU-RBSFLKMASA-N 450.345 1.509 30 10 JDEE CCn1cc(C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267186884 QCSPSBOTOGBDSL-NRFANRHFSA-N 452.361 1.208 30 10 JDEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267264369 QPDYBJGDJJHIPC-CQSZACIVSA-N 451.377 1.784 30 10 JDEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2267467784 FZEPRMVEMRBLOE-ZUOKHONESA-N 485.437 1.871 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268629492 XFLUQELLDYVEEN-ZIAGYGMSSA-N 467.397 1.676 30 10 JDEE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2c1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2280769722 ZEWSYOIWNXLVII-UHFFFAOYSA-N 479.408 1.605 30 10 JDEE Cn1cc(C(=O)Nc2c(CNC(=O)OC(C)(C)C)cnn2C)c(B2OC(C)(C)C(C)(C)O2)n1 2281973397 RYQBEDREEFDKLH-UHFFFAOYSA-N 460.344 1.730 30 10 JDEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2281986763 VKBHIFSQANYOLE-UHFFFAOYSA-N 463.388 1.334 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2281992483 OGUHLWVWXAERCF-HOTGVXAUSA-N 462.356 1.559 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)n1 2282039637 YDJZJBXNVIJTGA-NUEKZKHPSA-N 462.356 1.083 30 10 JDEE CC(C)(C)OC(=O)NCCN1CCN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CC1 2282513761 UUQGOQGMZYNLHU-UHFFFAOYSA-N 460.384 1.663 30 10 JDEE CN(C[C@H](O)CN(C)C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2282543727 CKQBGTALSHCBLE-CYBMUJFWSA-N 486.806 1.673 30 10 JDEE Cn1cc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCCO2)nc1B1OC(C)(C)C(C)(C)O1 2282551300 ITFYPNSSOAJAHU-HNNXBMFYSA-N 464.372 1.475 30 10 JDEE Cn1cc(C(=O)N[C@H]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282578942 YAJUQNUMTDTZBC-GJZGRUSLSA-N 464.372 1.521 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CCC2(C)C)n1 2282613092 YASQTQMGMXKZCZ-AWEZNQCLSA-N 463.388 1.880 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@@H]12 2282669183 QABZPKPRFOIPTK-USXIJHARSA-N 459.352 1.745 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 2282679915 GVPUGCIYTQPPBC-CQSZACIVSA-N 461.372 1.443 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2337196400 KOUXRVDPKGTUNZ-CQSZACIVSA-N 450.345 1.085 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1CO 2337343413 QZUKHHWGKUSBAN-DZGCQCFKSA-N 467.397 1.790 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NC(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)CO[C@@H]1C2 2359280666 LGQBNFYOISKBGK-QZMQVMSPSA-N 459.352 1.935 30 10 JDEE COc1cccc([C@@H]2/C(=C(/O)c3cnc(C)nc3C)C(=O)C(=O)N2CCN2CCOCC2)c1 102758138 AEPLDWMRARSHPZ-SADKCHQCSA-N 452.511 1.856 30 10 JDEE N#Cc1nccnc1O[C@H]1CC[C@H](NS(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)CC1 238876532 OELMPFAYIXJSAK-QAQDUYKDSA-N 453.524 1.852 30 10 JDEE N#Cc1ccccc1[C@@H]1N[C@](CO)(C(=O)O)[C@H]2C(=O)N(Cc3cccc4ccccc34)C(=O)[C@H]21 247640527 GXSIZPSHAADNFG-CQAGSAPUSA-N 455.470 1.973 30 10 JDEE CC(C)NC(=O)CN1CCN(C(=O)CSc2nnc(N/N=C/c3ccc(N(C)C)cc3)[nH]2)CC1 253571612 PESLXIAQNCZRPZ-YDZHTSKRSA-N 487.634 1.078 30 10 JDEE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N 523235528 FFERWPRPOBYYFI-IBGZPJMESA-N 464.526 1.743 30 10 JDEE COc1cccc(N2CC[C@H](NC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2)c1 609115432 ASGYKARMGLXHDM-IBGZPJMESA-N 469.567 1.862 30 10 JDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(OC)cc1 729668512 KYYXRKYHRMLXMZ-UHFFFAOYSA-N 459.531 1.585 30 10 JDEE CN(C)CC(C)(C)Cn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnn3ccccc23)c1=O 729672394 LSKLDHLRCIKNOQ-UHFFFAOYSA-N 492.649 1.707 30 10 JDEE C#Cc1cccc(N(CC(=O)NC)C(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c1 746276121 QWYABXGOALAEST-SFHVURJKSA-N 458.540 1.453 30 10 JDEE CCc1nnc(CN(C)C(=O)CSc2n[nH]c(NN=Cc3cc(OC)c(OC)c(OC)c3)n2)o1 1084143321 PGGNDCPDPNDRIC-UHFFFAOYSA-N 490.546 1.973 30 10 JDEE C#CCN(CC(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1)[C@H]1CCS(=O)(=O)C1 1191988530 YURGMOXJEKURIZ-SFHVURJKSA-N 455.602 1.086 30 10 JDEE C=CCn1cc(CNC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)nn1 1214260779 MINPRZORPMTCJS-UHFFFAOYSA-N 450.521 1.205 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286392196 BCLCXCRRIIQILH-FQEVSTJZSA-N 490.630 1.352 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1286394088 NEWNNNSGAGENLT-HXUWFJFHSA-N 464.680 1.521 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1286398009 VVCMBGQKSDQXBJ-AVRDEDQJSA-N 476.624 1.660 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCC(=O)N[C@H](C)CC)CC1 1286478855 HCVVWQFVBPIFCI-LJQANCHMSA-N 490.612 1.735 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2nncn2C)CC1 1286487085 CTFIFIWTOHGDQK-MRXNPFEDSA-N 466.521 1.700 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@](C)(OC)C2CC2)CC1 1286488574 OQSYANYSLYALDU-ZEQRLZLVSA-N 459.591 1.711 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OCC(N)=O)CC1 1286547753 QCOINAALPQEGQO-UZLBHIALSA-N 469.546 1.377 30 10 JDEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)=O)C[C@H]1C 1286711475 OHOGRJJNHACTLA-QGZVFWFLSA-N 475.619 1.888 30 10 JDEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCS(=O)(=O)C1 1286754984 IQYFFCJVFICTQQ-MRXNPFEDSA-N 464.617 1.851 30 10 JDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1286774503 SKXVPBKRUJGWPC-HZPDHXFCSA-N 494.618 1.324 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286780789 QSUDMVDGDJHLPC-IAGOWNOFSA-N 469.546 1.333 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286783654 YAIKATVFTGYNKL-UHFFFAOYSA-N 466.995 1.761 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)C(=O)NCC3)C1 1286799953 CNFYJSMZKXYWND-QAPCUYQASA-N 474.587 1.004 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCN2CCCS2(=O)=O)C1 1286805808 UTMQPIPAHRXSBA-MRXNPFEDSA-N 499.435 1.863 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCCC2(CCOCC2)C1 1286814147 LIRHVPKNENPWRZ-UHFFFAOYSA-N 451.593 1.512 30 10 JDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1297992643 FQAKAGUNVAAGIS-FQEVSTJZSA-N 479.585 1.950 30 10 JDEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1300394437 PZLCTXBHAIAVLK-INIZCTEOSA-N 457.332 1.268 30 10 JDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCCc1ccccc1 1300457878 BUHMLPBBNNPXPZ-UHFFFAOYSA-N 458.570 1.880 30 10 JDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(N(C)C)CCOCC1 1300471414 AZMJANZYSCDNQW-UHFFFAOYSA-N 465.646 1.823 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1300483434 LNNLXVPVYWAEAN-JTSKRJEESA-N 457.556 1.059 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1300483742 NKWQYCXRHZICLH-LJQANCHMSA-N 484.582 1.794 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCc2nn(C)c(=O)cc2C1 1300747018 WRUPFXQUGIDNKP-UHFFFAOYSA-N 466.567 1.985 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncn(-c2ccccc2)n1 1300915190 JENZLQSBWAWESI-LJQANCHMSA-N 486.602 1.642 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1300972645 NXFQJUPPBPQMQZ-KRWDZBQOSA-N 494.593 1.583 30 10 JDEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCS(=O)(=O)N2CCSCC2)CC1 1301063955 LJZVPINIUXCUAA-UHFFFAOYSA-N 470.665 1.732 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CCS(C)(=O)=O 1301499246 ANDPDISWGFNSCK-KRWDZBQOSA-N 498.650 1.566 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@](O)(c2ccccc2F)C1 1301586030 HITNQNYELHPHDK-JOCHJYFZSA-N 477.562 1.238 30 10 JDEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1301620096 BYGXVTATJBEDDW-GOSISDBHSA-N 470.599 1.540 30 10 JDEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)cs1 1304685736 HMGOFLQNQREJLH-UHFFFAOYSA-N 494.625 1.947 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC1 1313988937 FFZYJGSORDCISF-HXUWFJFHSA-N 453.547 1.166 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CC(=O)OC)c2ccc(OC(F)(F)F)cc2)C1=O 1354914169 QWRDXAWRQPCIJU-CYBMUJFWSA-N 457.361 1.282 30 10 JDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)c1 1357766209 AFQBSGCVUYEMAT-NRFANRHFSA-N 454.571 1.937 30 10 JDEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1358959835 QPKPVOWMVUBALN-SFHVURJKSA-N 487.607 1.555 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1Cc1ccccc1 1359024139 GCHZZMIDGCPNIL-FGZHOGPDSA-N 471.627 1.931 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359082570 MWSVVJIGAFWSFG-COXVUDFISA-N 480.411 1.127 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOCC)CC1 1359287728 SEBMPSDYQTWSFC-GOSISDBHSA-N 450.584 1.931 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1359297804 CILHWFBCMZMQQH-UHFFFAOYSA-N 462.558 1.758 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(F)cn2)CC1 1359331348 WFECVWZSGURLPM-UHFFFAOYSA-N 458.523 1.197 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2c(F)cccc2NS(C)(=O)=O)ccc1F 1445560329 JEMHWXBJKNQJKS-UHFFFAOYSA-N 459.496 1.731 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)CSc2nc3ccccc3nc2N2CCCC2)CC1 1449061964 NHWSTXOVSGJINV-UHFFFAOYSA-N 452.584 1.216 30 10 JDEE C=CCn1c(S)nc2cc(C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)ccc2c1=O 1457661700 QOKXWYNPQZNUCY-UHFFFAOYSA-N 454.512 1.179 30 10 JDEE CCN(CC)CC(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1459453441 DQWGTMCCVNEIGO-QFIPXVFZSA-N 458.582 1.021 30 10 JDEE Cc1nc(C)c(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)s1 1492659540 DVYYXSSBCTYYSP-KDOFPFPSSA-N 469.568 1.175 30 10 JDEE CO[C@@H]1COCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1504526961 HLASFDGTPRYRLA-XUVXKRRUSA-N 459.572 1.740 30 10 JDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1507580438 DVCLLWLRVKOBSN-MRXNPFEDSA-N 464.530 1.908 30 10 JDEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507583198 OHMYMIVIQPSAQE-IBGZPJMESA-N 477.569 1.991 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCn1cnnn1)[C@H]1CCS(=O)(=O)C1 1507628738 PZUSUDNNAWZSEF-IBGZPJMESA-N 454.560 1.211 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 1507632689 PECXTEUKNVEYTE-QZTJIDSGSA-N 463.510 1.377 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCNC(=O)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1507633927 VQGHZWRONLHLPU-SFTDATJTSA-N 485.610 1.885 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1507637266 AJICLPHYCXYTAK-BJLXPSRBSA-N 468.576 1.392 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1507638525 GDNSXWJCJSGPFA-LEWJYISDSA-N 475.663 1.743 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1 1507671434 KWWFKYJQNWVSMT-IBGZPJMESA-N 453.547 1.831 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccnc2OCC(F)(F)F)CC1 1507723641 PIKFUNMTNHCSHE-MRXNPFEDSA-N 463.464 1.369 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1507724569 GZQDMXURHMMODH-LJQANCHMSA-N 463.508 1.749 30 10 JDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507754318 BKSZOMKBVLEOES-SFHVURJKSA-N 460.629 1.828 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COCCOC)C1 1507796035 GKJULQKTKJHHLM-NMLBUPMWSA-N 468.620 1.651 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1507844435 JUINECUXIBTZSZ-RXVVDRJESA-N 491.614 1.991 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1507934369 FEINCJWTKOXGMF-RTBURBONSA-N 483.635 1.742 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1508094506 YHURAWNYABEFEB-UONOGXRCSA-N 465.526 1.884 30 10 JDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2nccs2)C1 1510288199 AEYODCMMLDVHGR-BEFAXECRSA-N 465.605 1.440 30 10 JDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1516804724 CWQQHVJMYXNEID-HXUWFJFHSA-N 485.614 1.834 30 10 JDEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)(C)C)CC1 1517028787 GQIZJEWOPSEJAK-UHFFFAOYSA-N 475.619 1.541 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc([N+](=O)[O-])c(I)c2)C1=O 1537266239 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C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(F)c2F)CC1 1540897390 IBHVJXYSRQRZMH-UHFFFAOYSA-N 494.568 1.720 30 10 JDEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1540909844 QNKMCXWIMNVRTN-QGZVFWFLSA-N 450.609 1.218 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)C1 1540936530 BVFZSZNNKOYOJO-IBGZPJMESA-N 458.526 1.664 30 10 JDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)N1CCOCC1 1541837764 HGVYMFZDPVVHKN-ROUUACIJSA-N 473.603 1.008 30 10 JDEE CCN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC1)S(C)(=O)=O 1547389969 GUFVZBJNGZJUJW-UHFFFAOYSA-N 485.614 1.593 30 10 JDEE C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1557021112 WYWJODDGWITPJF-AABGKKOBSA-N 459.591 1.478 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 1585000033 KXTDYGNPLRAEEG-JOCHJYFZSA-N 450.505 1.725 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1588034110 BDIRJTJUTZGVMU-IRXDYDNUSA-N 477.562 1.710 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1588059263 KYSLMGWMKAVSHN-OALUTQOASA-N 494.614 1.602 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1588069665 SBHFUQGEQQSABP-FQEVSTJZSA-N 473.574 1.885 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCSC1 1588138584 GBOSJUCONQCPTO-VGOFRKELSA-N 461.588 1.527 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1cccc(OC)c1 1588386306 OTZAEWFEBHRSDN-FXAWDEMLSA-N 477.587 1.547 30 10 JDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1S(C)(=O)=O 1588398425 FLSZPSZUNZHQNP-QZTJIDSGSA-N 496.634 1.470 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1588574670 PLEJGDLOZHSHJU-RTBURBONSA-N 469.590 1.899 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCNS(C)(=O)=O 1595497296 WXJNGGMMFNGLFK-AWEZNQCLSA-N 466.633 1.419 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cscn1 1595550440 DQBFVQDDWHEBSS-MRXNPFEDSA-N 477.591 1.982 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(N3CCN(CC)C3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1595601920 AKAHJTGYKGYHFD-XMMPIXPASA-N 489.621 1.347 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2CC2(C(N)=O)CCOCC2)C1 1595738737 UIFZMWDAEYZEMY-LJQANCHMSA-N 455.559 1.941 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@]2(CNC(=O)C2)C1 1595760812 UFWXWIXMXUHVDB-AOMKIAJQSA-N 477.562 1.874 30 10 JDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)CCO1 1619753566 CQHRKLYCEYEXMI-NRFANRHFSA-N 464.526 1.636 30 10 JDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccc(O)nn2)CC1 1623494374 HSJGBLCFORZXLL-VQTJNVASSA-N 452.490 1.725 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc3n(n2)CCC[C@H]3NC(=O)OC(C)(C)C)CC1 1627015564 VVLGWSKCFCRWAB-QGZVFWFLSA-N 458.563 1.140 30 10 JDEE C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(N2CCCC2)c1 1638257971 FCPIXCOIBFGVNQ-INIZCTEOSA-N 455.540 1.580 30 10 JDEE CCOC(=O)c1c(NC(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)c(C#N)cn1CCOC 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30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(C=C)cc2)CC1 1705645261 PDQDBBHHRVJKKR-SFHVURJKSA-N 484.626 1.740 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ncnn2C(C)(C)C)CC1 1705647503 FUGYJVACRJSFND-GOSISDBHSA-N 454.579 1.533 30 10 JDEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705831365 OPVLCKMZUCCKIE-SFHVURJKSA-N 473.603 1.579 30 10 JDEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705870644 MIJPPZDUJJYBRS-QGZVFWFLSA-N 479.628 1.809 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705898005 YTURSBDXGJWICR-PZJWPPBQSA-N 479.585 1.889 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](C(=O)NC)C1 1705933102 UOENRWZIZKHFAW-KRWDZBQOSA-N 475.571 1.280 30 10 JDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCC1 1706831928 CHTCJGZWUTXTCO-HNNXBMFYSA-N 465.601 1.653 30 10 JDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCSCC2)CC1 1710337429 AYFDLRFPUQEJHJ-UHFFFAOYSA-N 454.604 1.717 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1722275489 DWAKNERHXVHULZ-KOSHJBKYSA-N 455.559 1.903 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(NC(C)=O)c1)[C@@H]1CCS(=O)(=O)C1 1722360712 JBDHGHOGPZYWGI-OAQYLSRUSA-N 464.551 1.974 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1722365769 PIIPVPOSNDWLQR-OALUTQOASA-N 473.599 1.750 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1 1722377145 QPLTYWOKPJGCEP-KRWDZBQOSA-N 469.475 1.878 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1nccs1 1722398310 ZIEAHFBGTFKTKJ-IAGOWNOFSA-N 462.601 1.334 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1722433462 VYUMZVXAFIGQAP-UGKGYDQZSA-N 484.567 1.958 30 10 JDEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1722628960 DQXJXMDRDVIFQR-FHWLQOOXSA-N 490.605 1.894 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccc(F)cc1 1722698979 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C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)N1CCN(CC)CC1 1740663905 BDRFSQQWAZPZGI-IBGZPJMESA-N 458.632 1.834 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccccc2Cl)N(C)C)CC1 1740696456 VADIOLHRBMIHLR-WIYYLYMNSA-N 491.061 1.892 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC2(COC)CCCC2)CC1 1740705681 LGQOXNGYZXGBOW-LJQANCHMSA-N 456.591 1.792 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2CCC(=O)N(C)C)CC1 1740708609 WCLIDLIMYIEAPN-UHFFFAOYSA-N 461.570 1.725 30 10 JDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740885529 IVOLPWBOPVYLLE-IBGZPJMESA-N 460.579 1.383 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1740947406 ZPDRGTHGZRYKHU-FQEVSTJZSA-N 488.614 1.504 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2oc(CCC)nc2C)C1 1740978982 APVOMUJEDAAFOO-MJGOQNOKSA-N 494.618 1.690 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1740993289 WHBFDCYQMCFDJK-CRAIPNDOSA-N 450.634 1.908 30 10 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457.600 1.888 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CCCS2(=O)=O)CC1 1760267679 WFZLMQRPZSOGFD-UHFFFAOYSA-N 491.017 1.600 30 10 JDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1760299650 CGOHSLDDVGNSDB-UHFFFAOYSA-N 458.320 1.958 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760312727 CUXPPSHADVSWGI-OALUTQOASA-N 480.635 1.261 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCS(=O)(=O)C1 1760478892 WLMDEEAASDCXAH-HSZRJFAPSA-N 489.598 1.151 30 10 JDEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1760506860 QQULLWGKWOKITM-QGZVFWFLSA-N 472.521 1.251 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C)cc2)CC1 1760548200 AHTSUJDBQSTNRT-UHFFFAOYSA-N 460.604 1.652 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1760549219 ZGUZDMUNLYXDSE-KRWDZBQOSA-N 487.586 1.117 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1Cc2ccccc2[C@@H]1C 1760554783 MNQPYYSUNSULHT-DOTOQJQBSA-N 450.586 1.862 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](N3CCN(C(C)=O)CC3)[C@H](C)C2)nnc1C(C)(C)C 1760558521 RAZUUEKRHSAWFV-IEBWSBKVSA-N 466.652 1.165 30 10 JDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1C(=O)O 1862607923 AZUSVOZLBXFGGS-HXUWFJFHSA-N 466.446 1.870 30 10 JDEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N2CCO[C@@H](C(=O)NC3CC3)C2)CC1 1891865190 FAXWXKWCYPYJEA-QGZVFWFLSA-N 455.540 1.997 30 10 JDEE C[C@@H](NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2255643875 XNQCPWRBFGBUJL-GFCCVEGCSA-N 453.370 1.542 30 10 JDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2255695475 FOMGTHZZCISUOL-IRXDYDNUSA-N 469.351 1.644 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2255933533 PNRHGXTUPDZQML-JOCQHMNTSA-N 473.426 1.917 30 10 JDEE CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256653529 GREBCTFPNOGIJL-CYBMUJFWSA-N 455.386 1.723 30 10 JDEE 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JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(c2nc(C)ns2)CC1 1540861790 GSJONAHGSZAFRE-UHFFFAOYSA-N 475.623 1.375 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1540876283 MSUBSGCUSWJEIL-CVEARBPZSA-N 484.623 1.522 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(=O)NCC)CC2)cc1 1540877606 ACVZYJMMBVBPMF-IBGZPJMESA-N 453.547 1.694 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1540944068 UBJXGEQJXLHQKM-VLZBMTSBSA-N 478.557 1.095 30 10 JDEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)[C@@H](C)C2)CC1 1541006697 CCYOKFJRGBDFGY-KDURUIRLSA-N 451.575 1.985 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(CCC)C(=O)OC(C)(C)C 1587563194 YVCJIDMPJNZSLA-HOTGVXAUSA-N 456.613 1.993 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCN1CCN(C(C)=O)CC1 1587599335 LZMLQAFXYRGLEA-GOSISDBHSA-N 454.575 1.974 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)COc1ccccc1OC 1587640504 RQQSBAJTFWFIIY-BBTUJRGHSA-N 491.614 1.793 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCO[C@@H]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588054005 JRLUJPMPWBCVLD-MTQWCTHYSA-N 498.671 1.402 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588069344 MAEFECVTXLYPET-WIYYLYMNSA-N 482.610 1.838 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccn(-c2ccc(F)cc2)n1 1588140092 SZGRZIOXGHCMHP-SFHVURJKSA-N 466.542 1.821 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCC(=O)N1CCOCC1 1588189686 PZGQFHUUDSMXAH-UHFFFAOYSA-N 451.527 1.674 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(N(CC)CC)nc2)CC1 1588733468 ULQZHOUFTNFGEE-UHFFFAOYSA-N 450.591 1.559 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](c2ccco2)N(C)C)CC1 1588752435 SMJXJRTYRSCFEK-GBXCKJPGSA-N 456.591 1.970 30 10 JDEE C#CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)CC1 1588766713 ZYLRKHHMNPNYMK-UHFFFAOYSA-N 450.557 1.481 30 10 JDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1589069404 KNCZBNXZGXSGPO-HXUWFJFHSA-N 498.609 1.330 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1589481604 AXHMFUISVBCAJY-IHPCNDPISA-N 462.595 1.519 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CNC(C)=O)CC1 1589494179 KPAIHKMRUSMCMZ-SNRMKQJTSA-N 468.624 1.222 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1594626005 KEIODEIXHFXWHQ-HBMCJLEFSA-N 496.678 1.514 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1594732476 DWMRMOHLXMQHKE-GOSISDBHSA-N 458.588 1.572 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1)C(C)C 1595170439 CJIHOPJBDOAPPP-YADHBBJMSA-N 492.690 1.937 30 10 JDEE C=CCS(=O)(=O)CCn1c(Nc2ccn(C)n2)nnc1-c1cccc(S(C)(=O)=O)c1 1595831548 SAWWDDYKDAHEQM-UHFFFAOYSA-N 450.546 1.427 30 10 JDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1619452891 GSMWIDYJVYYUJT-INIZCTEOSA-N 463.560 1.808 30 10 JDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(C)CC(=O)N2CCN(C)CC2)cc1 1644006437 GQDHNCJNMVHOBS-UHFFFAOYSA-N 452.559 1.619 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Sc3ccccc3Cl)nn2)CC1 1644285317 MSLXWNBQFXGTOJ-UHFFFAOYSA-N 451.961 1.507 30 10 JDEE C#CCCCS(=O)(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1664426875 VRIBBIMSYYXPIP-ZWKOTPCHSA-N 454.593 1.597 30 10 JDEE CCN(CCC#N)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1666945738 BPHOGRTUZJQGTR-UHFFFAOYSA-N 451.549 1.312 30 10 JDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccccc1OCC(=O)NC[C@H]1CCCO1 1682687735 HJEAHZUWHATKGQ-LJQANCHMSA-N 459.543 1.847 30 10 JDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1689942712 BZAHCTNWQLBHES-BJLQDIEVSA-N 450.547 1.792 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1689983667 DSLGJQPSNIPCNN-FQEVSTJZSA-N 466.567 1.502 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689994273 VIZYQJHPEHPCAH-SFHLNBCPSA-N 458.584 1.951 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N1CCCCC1 1690039848 UXVCPVBYHOXJGS-UHFFFAOYSA-N 457.542 1.786 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)nn(-c2ccccc2)c1C 1690077825 XRAIABYOEVGHSP-QFIPXVFZSA-N 497.625 1.921 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1690122171 IWDAAAGVZXSIEN-UHFFFAOYSA-N 467.574 1.697 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1690228677 CMSJDDKZJJNOSL-KBMXLJTQSA-N 490.424 1.523 30 10 JDEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCNS(C)(=O)=O 1690346563 WXGMIZSLAWYGNU-CQSZACIVSA-N 479.003 1.324 30 10 JDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1690497951 YZLZUFHHHYFLMH-CTNGQTDRSA-N 475.638 1.388 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC(=O)N1 1690555798 DOKFEDNYUBWMDQ-QZTJIDSGSA-N 459.572 1.660 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCC1 1690572068 RMBVXGFYTZGGPM-IBGZPJMESA-N 479.578 1.858 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690673950 KEBRBAXOUVHVOZ-PXNSSMCTSA-N 471.631 1.221 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690682376 MRMDTGJPULRQKV-GOSISDBHSA-N 474.587 1.360 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1690792516 OXHVXWUIOHLAJS-FTGFMQHASA-N 495.559 1.839 30 10 JDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@@]2(CCCOC2)O1 1693827666 BPHHAXTYMOHZOS-GAJHUEQPSA-N 454.531 1.591 30 10 JDEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1693854153 CPFWFAUAZLJXPJ-FUHWJXTLSA-N 460.560 1.378 30 10 JDEE C#CCN(c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC=C)[C@H]1CCS(=O)(=O)C1 1705565115 GBMBWGHRYQPAEW-KRWDZBQOSA-N 466.567 1.878 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1705568470 ODOZTQOUBSGSLK-SFHVURJKSA-N 495.001 1.679 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC[S@@](=O)CC)CC1 1705651254 PGSJDGOFSTUOPB-YTTGMZPUSA-N 461.563 1.731 30 10 JDEE C#CCSCCn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705664846 CUQHWQGZNXMNLY-OTWHNJEPSA-N 476.647 1.936 30 10 JDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1705688386 QVPYDFHJNXWHJK-AWEZNQCLSA-N 462.414 1.989 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOC)[C@@H](CC)C1 1705898907 BTXGLWWOHNEXQP-IBGZPJMESA-N 470.574 1.566 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(Cc2ccsc2)CC1 1705907495 OQDRCELWWCXAKV-UHFFFAOYSA-N 485.639 1.956 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(CC2CCOCC2)CC1 1705932155 NJLDROALJMWRKL-UHFFFAOYSA-N 460.604 1.490 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1705938040 LGPBUIWWLNQTCK-UHFFFAOYSA-N 479.578 1.902 30 10 JDEE C=CCSCCn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1705949929 NLSWQZCXBQWSEF-RXVVDRJESA-N 485.676 1.854 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)CN2CCCC2)CCO1 1706048865 FHGCBPINFQSKJT-XMSQKQJNSA-N 451.575 1.890 30 10 JDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)CC1CC1 1706081692 GQDJYJPIOWDHFB-JKSUJKDBSA-N 479.628 1.899 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CC1 1712442745 HTVSMNMWRANLET-SFHVURJKSA-N 472.571 1.331 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 1722366790 JRSGTPDVBHWBJP-ROUUACIJSA-N 486.554 1.083 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1nccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1722370891 ROPBWYHRKSBKND-LSDHHAIUSA-N 484.504 1.808 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1722399345 BKTCFGTZKHSTCX-JOCHJYFZSA-N 460.582 1.984 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1722448228 WOOOOTONHMNBOO-OAQYLSRUSA-N 485.677 1.775 30 10 JDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CC2)C(=O)C1 1722606579 CIVYBVYSGGFVLL-UHFFFAOYSA-N 458.588 1.973 30 10 JDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](N1CCOCC1)C(F)(F)F)C1CC1 1722646664 KHIVBFQKLFJWSO-DZGCQCFKSA-N 466.530 1.306 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CCOCC2)CC1 1722693401 MMLNLHIPVNAVNG-UHFFFAOYSA-N 455.519 1.457 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1722724668 CTDMWAQJWNIDCD-KRWDZBQOSA-N 489.602 1.267 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C)C1 1722727543 MQMQJMCNBWRKOP-HNNXBMFYSA-N 458.544 1.018 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@H]2CCOC2)CC1 1722730542 VULMVOGCYYJKCM-FQEVSTJZSA-N 462.620 1.993 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1Br 1723954210 ICQAXDKKPUSGPK-GXTWGEPZSA-N 469.365 1.428 30 10 JDEE CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1)N1CCc2ccccc2C1 1727238445 GUFRXHSFJIHUOF-NHCUHLMSSA-N 451.575 1.982 30 10 JDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1729658123 GLSCOMIYWUIEDA-HKUYNNGSSA-N 456.572 1.604 30 10 JDEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)N1CCOCC1 1740573634 GAOAXLVZBPVIPC-IBGZPJMESA-N 490.605 1.685 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1740628776 UBVDHIQRGZYSLM-QGZVFWFLSA-N 468.564 1.860 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(N2CCCCC2)c1 1740629850 BXIZZHCOTMAUDO-SFHVURJKSA-N 455.588 1.395 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1740684615 WQYPPDPHRZQDJJ-RTWAWAEBSA-N 452.559 1.216 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@]2(C)CN(C)C2=O)CC1 1740692639 NNGMNEWAYFIZAY-HXUWFJFHSA-N 460.380 1.280 30 10 JDEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)NC[C@H]2C1 1740788538 VTDKLXBEQYALRT-AWEZNQCLSA-N 450.341 1.842 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N1CCN(c2ccccc2)CC1 1740932184 ITUPHFAWUOTLBP-HXUWFJFHSA-N 484.626 1.707 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 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464.592 1.015 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[C@H](O)C2)n1 1300681492 RJZZRVOMCORSAT-SBHAEUEKSA-N 490.630 1.214 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2(O)CCCCCC2)CC1 1300728875 IHMSPCDMGPXTKS-UHFFFAOYSA-N 456.591 1.452 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1300733502 WKMNLDUIPCDZNT-MRXNPFEDSA-N 453.576 1.159 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCOC1 1301422482 MKPGXQUCYQPUTJ-HSZRJFAPSA-N 454.531 1.465 30 10 JDEE C=CCn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1301469608 CZKWVIIMTFWMEB-UHFFFAOYSA-N 468.558 1.113 30 10 JDEE CC(C)N(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N)C(C)C 1301967665 FIDNARJRIIQVMH-MSOLQXFVSA-N 455.629 1.326 30 10 JDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 1302429437 GOIGUANHXCGIAZ-DOTOQJQBSA-N 498.531 1.962 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](N1CCOCC1)C(F)(F)F 1358885145 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474.953 1.194 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2-n2cccn2)C1 1540882423 IHCILSKSTAVVSB-IEBWSBKVSA-N 471.587 1.904 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C1 1540892035 DOLXUSHHRPAPTP-IKGGRYGDSA-N 469.608 1.875 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1540899470 PRGYEONUJYQODH-IBGZPJMESA-N 475.615 1.795 30 10 JDEE C[C@@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1545122819 BNLDADNKNGBTJO-QUCCMNQESA-N 487.630 1.303 30 10 JDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2ccc3c(c2)NC(=O)CNC3=O)n1 1584412299 WEYQWMPCXYPBRE-UHFFFAOYSA-N 455.525 1.734 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1587861782 PNJDTFZGCQMZPR-OALUTQOASA-N 480.635 1.157 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC[C@@H]1COCCO1 1588581042 DKWJIVQPAFVIIA-MRXNPFEDSA-N 452.353 1.938 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(F)(F)CC1 1588646432 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1.268 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1740899046 DQUMIWNAIQCXLI-FHWLQOOXSA-N 468.668 1.990 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1740955049 KZUOVLXJIQWGPD-IBGZPJMESA-N 490.612 1.688 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1740963357 ILRFEEZCCYHEMX-HXUWFJFHSA-N 456.547 1.117 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCS(=O)(=O)CC)C1 1740978705 AYHRQHJEQHTMGB-QGZVFWFLSA-N 486.598 1.891 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1740994833 UUXPZMLYELRCMX-IBGZPJMESA-N 493.552 1.531 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1741001235 OLPWBORVIAXIDS-IBGZPJMESA-N 475.663 1.719 30 10 JDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1748750755 OJXSOSHJEUPCMT-OALUTQOASA-N 453.609 1.810 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCN(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1748810020 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C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](CCC)C1 1749655609 NCQLXZWPEHPQGH-SFHVURJKSA-N 476.603 1.503 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1749676052 CBLPVIHLWPQTIO-SFTDATJTSA-N 466.634 1.561 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1749727523 WQFRAJDTBKMMOH-GOSISDBHSA-N 478.582 1.923 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N(C)CC(=O)NC(C)(C)C 1749737069 WWDPUHGAROKWHK-UHFFFAOYSA-N 451.568 1.960 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@H](C)N(C)C)C[C@@H]2C)CC1 1749880830 AVYWMJLPPCZLRT-SFYKDHMMSA-N 464.618 1.756 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(O)CCS(=O)(=O)C1 1760102346 IPFUGQOAACALQU-YJYMSZOUSA-N 483.388 1.724 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1760181640 YXJYYADGAJUYKM-HNNXBMFYSA-N 477.497 1.350 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1760185581 ZTOCPNJTWZUMFM-OALUTQOASA-N 457.600 1.922 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1760192214 GNZDKHJJNRDHIK-ANULTFPQSA-N 479.647 1.361 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C(C)C)N1CCOCC1 1760196160 LLNRXWLRDUSCGE-OAQYLSRUSA-N 497.669 1.976 30 10 JDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCNC(=O)C(C)C)CC1 1760259909 IHRNXBVGLQVMIT-UHFFFAOYSA-N 486.646 1.156 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1760260567 XOVJNLDURINCEY-UHFFFAOYSA-N 461.545 1.902 30 10 JDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1760262927 HAQVCRRTEFJXQX-UHFFFAOYSA-N 471.627 1.652 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCC(=O)NC(C)C)CC1 1760267636 UNRGNWZOKNTHHY-UHFFFAOYSA-N 480.569 1.597 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCCc2cnn(C)n2)CC1 1760271043 JSAFUIXYVJQDKL-UHFFFAOYSA-N 476.585 1.893 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(C)COCCO2)CC1 1760271323 UJPNZKJUDPGYIG-HSZRJFAPSA-N 486.598 1.041 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1760281692 PVLFMZYJJPIKFD-IAGOWNOFSA-N 454.618 1.321 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(N(C)S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1760327061 BQFBASUKFWJMII-LEDOBFOHSA-N 497.662 1.772 30 10 JDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccc(OCC)n2)CC1 1760366675 GQPQNCXQIZPPJY-CQSZACIVSA-N 470.987 1.156 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1760432911 OHNBAJLBPXKSQI-KRWDZBQOSA-N 478.594 1.885 30 10 JDEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1760445552 NPCDSCQUPKWAFW-IBGZPJMESA-N 456.547 1.691 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1760524845 LBECQDCVBQSOJW-LJQANCHMSA-N 457.485 1.761 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1760528328 YYVDTJPGPOOKDD-UHFFFAOYSA-N 482.520 1.424 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 1760553564 VUMBGOIGSNCEJL-SFHVURJKSA-N 458.588 1.574 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCCN(C(=O)C(C)C)CC1 1760553928 MDDKHSVUODQEKB-UHFFFAOYSA-N 492.602 1.301 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1760555657 KDXPRVGEAUWDNH-MSOLQXFVSA-N 464.592 1.923 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC=CO2)C1 1765679524 BEUMUGROAPVVTM-PMACEKPBSA-N 472.571 1.939 30 10 JDEE CCCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(C)(C)O)c2ccccc2c1=O 1766171805 DLMOHTJYDOVUMY-INIZCTEOSA-N 451.531 1.955 30 10 JDEE CCN(C)C(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1766362554 HNBOKMJQTLDKAH-MRXNPFEDSA-N 471.587 1.532 30 10 JDEE Cn1nnc(Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CCO[C@@H](C#N)C2)n1 1769083803 GHMMFVOBLZFUIJ-NSHDSACASA-N 464.715 1.662 30 10 JDEE N#Cc1cccc(NC(=O)[C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)c1 1858374873 RAJDPFVNLFYMHG-LJQANCHMSA-N 468.535 1.680 30 10 JDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862759702 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Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2CC[C@@H]2NC(=O)OCc2ccccc2)n1 2255930793 AGCOCAUQSAZCNV-ZWKOTPCHSA-N 490.391 1.455 30 10 JDEE C=C(CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](CCO)C1)B1OC(C)(C)C(C)(C)O1 2255950340 LRXMUSMXUMFPFE-MRXNPFEDSA-N 460.402 1.808 30 10 JDEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C 2267160089 NYGSJAFUGKXGKI-AWEZNQCLSA-N 450.341 1.610 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@@H]12 2267160522 XMHNRFCBBYRXOC-CFVMTHIKSA-N 465.381 1.806 30 10 JDEE CN([C@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267359783 PIORVZQLMPOQFH-DLBZAZTESA-N 462.381 1.483 30 10 JDEE CC(C)(C)OC(=O)N1CCSC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267535975 FGRBUCDLCPORMC-HNNXBMFYSA-N 464.397 1.858 30 10 JDEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267705946 ORVCZIZBCYZOSQ-KGLIPLIRSA-N 470.401 1.396 30 10 JDEE Cc1c(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281799753 ZLFYNYOJNRLPDM-STQMWFEESA-N 458.290 1.699 30 10 JDEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2281823672 QACQOYPMAPSVKL-FUHWJXTLSA-N 463.384 1.907 30 10 JDEE CC1(C)OB(c2ccoc2C(=O)NC2(C(N)=O)CCN(Cc3ccccc3)CC2)OC1(C)C 2282048981 SHYVTSWCNMPVFF-UHFFFAOYSA-N 453.348 1.829 30 10 JDEE CN1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H](CNC(=O)C(F)(F)F)C1 2282337208 JURLNKFXHAWROE-CYBMUJFWSA-N 497.370 1.031 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2282858104 RTADROMEGYRPGL-ZDUSSCGKSA-N 485.416 1.038 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2334390867 MWVQDTLAOBQFLW-OWCLPIDISA-N 468.381 1.005 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@@](C)(=O)C1CN(C(=O)OC(C)(C)C)C1 2337293046 XWDWBZGIZFFKKP-YTTGMZPUSA-N 468.385 1.577 30 10 JDEE COC[C@@]1(C)C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2364199417 HVFNYWFLMFUDIQ-RCDICMHDSA-N 464.372 1.853 30 10 JDEE CO[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2365425011 UNGSJQALLIAXSA-QGZVFWFLSA-N 484.424 1.945 30 10 JDEE Cc1ccc(S(N)(=O)=O)cc1NC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 20395652 YSNQQTSNLAFJFU-UHFFFAOYSA-N 455.521 1.995 30 10 JDEE CC(=O)C1=C(OC(=O)CN2C(=O)CCC2=O)c2ccccc2S(=O)(=O)N1Cc1ccccc1 21149301 KFPLTEPAVVSHKP-UHFFFAOYSA-N 468.487 1.841 30 10 JDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)Nc3ccc4c(c3)OCO4)cc21 586362402 VMAMZTVOHFNGPF-JGCGQSQUSA-N 456.476 1.897 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(C(C)(C)C)s2)c(=O)n1C[C@H]1CCCO1 920394990 YKKMHCMIQYTSBB-CQSZACIVSA-N 458.609 1.648 30 10 JDEE C=C[C@@H]1OCC[C@H]1NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1140964715 YDGDEPVQBZXRGX-RTWAWAEBSA-N 463.600 1.883 30 10 JDEE C=C1C[C@@H]2CC[C@H](C1)N2CC(=O)N(CCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1174770219 CJOVQCJGZOYYJM-KDURUIRLSA-N 453.543 1.742 30 10 JDEE C#CCNS(=O)(=O)N1CCN(Cc2nc(Cc3cccc(Br)c3)no2)CC1 1192976188 MOHKBEASGGIUBZ-UHFFFAOYSA-N 454.350 1.008 30 10 JDEE C=CCS(=O)(=O)Nc1c(I)ncnc1I 1259923522 OFZUGDHCGJIPOB-UHFFFAOYSA-N 451.027 1.614 30 10 JDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCCc4nc(C#N)ccc43)c2)CC1 1277876536 AJQDKKSYIOMDAU-UHFFFAOYSA-N 453.524 1.399 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)c(F)c1 1286295001 HJJADDBFVQUTMX-KSSFIOAISA-N 453.515 1.590 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1286381631 NXMQARVMSMRABW-HNNXBMFYSA-N 465.605 1.031 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286389864 RXSCBDBADNENLJ-MOPGFXCFSA-N 457.604 1.626 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCCSC)[C@@H]1CCS(=O)(=O)C1 1286391226 DAYMXMCRDYQAEF-DLBZAZTESA-N 474.674 1.340 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)N1CCOCC1 1286422065 IZMCDLJDVSDQFF-LJQANCHMSA-N 483.642 1.730 30 10 JDEE 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C#CCSCCn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1286512477 LIRLQUBBOKTQGJ-XMMPIXPASA-N 484.626 1.722 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)NCCOC)CC1 1286564834 ZCHIXATZFMSFQJ-XXBNENTESA-N 486.592 1.950 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCS(=O)(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286565291 ZZCGLSLTGYHZDA-WFXMLNOXSA-N 454.593 1.535 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccs1)N(C)C 1286727519 SCSUTHLUILHPOG-CVEARBPZSA-N 454.622 1.598 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1286786860 KCCLBBUTYKXYEI-UHFFFAOYSA-N 462.558 1.688 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1286788535 YCYWLZYWQXGGML-LEWJYISDSA-N 482.610 1.813 30 10 JDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1296305875 ATJGBYMSXLKSNX-UHFFFAOYSA-N 479.633 1.694 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCC[C@@H]2NC(=O)NC2=O)c1 1300332140 YFFJYUGIRSEXQF-KRWDZBQOSA-N 451.531 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30 10 JDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507935672 TVLXAPHXXMDGAR-INIZCTEOSA-N 459.638 1.397 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 1508071491 JXNGEIAKADSQAL-GOSISDBHSA-N 467.574 1.472 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1508080058 IYNXAIKBNGGLHP-INIZCTEOSA-N 458.567 1.674 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC[C@@H]2C)C1 1508122484 DTJFIRYMPDGSQY-OKYOBFRVSA-N 453.609 1.829 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(N(C)C(=O)OCC)CC1 1508144590 VGLFIOPRPZKBHJ-UHFFFAOYSA-N 482.607 1.058 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C2CC2)C(=O)C1 1508144654 WJVBCSVQNHOUCB-UHFFFAOYSA-N 473.599 1.886 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1508173494 BOCLUJJGEOQFOQ-ZNTNEXAZSA-N 488.552 1.790 30 10 JDEE C[C@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1)C1CC1 1510239411 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C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](C(=O)NC)C1 1594608655 SSZVPVYPKNMWHF-KRWDZBQOSA-N 461.592 1.546 30 10 JDEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(=O)N(C)[C@H](C)C1 1594813619 VGUVNTACEXCQMQ-GOSISDBHSA-N 454.579 1.712 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1595405090 BVMNJIHYCZEHNQ-IBGZPJMESA-N 474.587 1.652 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCN(S(C)(=O)=O)CC2)cc1 1595640448 XXCJZZZOMPDTMZ-FPOVZHCZSA-N 491.614 1.697 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1595788516 BOJSGYWKKKWCIV-AVRDEDQJSA-N 459.572 1.582 30 10 JDEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2ccnc(-c3ccc(Br)cc3)n2)c1=O 1643558248 WRJPMZUNFZDGNV-UHFFFAOYSA-N 456.300 1.812 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(CCO)CCNC(=O)OC(C)(C)C)cc1 1658320634 MFIFWQHXBXTMSG-UHFFFAOYSA-N 456.565 1.844 30 10 JDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C 1661513140 PCJBCGVFGBOMGN-LLVKDONJSA-N 451.320 1.477 30 10 JDEE C#CCNS(=O)(=O)N1CCN(Cc2cc(Br)ccc2Br)CC1 1665529314 YOLPZFFDZJGNOG-UHFFFAOYSA-N 451.184 1.797 30 10 JDEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1689938678 SOBNAEPXRWWCOO-UHFFFAOYSA-N 470.961 1.851 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCn1cnnn1)[C@H]1CCS(=O)(=O)C1 1689993060 UWIJTHSORVOLBX-SFHVURJKSA-N 474.978 1.226 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1689993325 AXVRVUCEQWESCE-FQEVSTJZSA-N 468.583 1.731 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccnc1)C(C)C 1690077244 LKKMRDBJEZXMLG-VQTJNVASSA-N 460.604 1.905 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC(F)(F)C1 1690103542 DXXFSXOZXBMGDS-CVEARBPZSA-N 461.535 1.132 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1690664077 JVWMJAPSQMTBJI-UHFFFAOYSA-N 456.532 1.855 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1690665381 BJHCETLJNXDALJ-UHFFFAOYSA-N 474.997 1.286 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1690671172 QGWUEGNJSAXSDR-IBGZPJMESA-N 453.547 1.247 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(Cn2cccn2)cc1 1692773125 BPVBVMBZMSEAJG-QGZVFWFLSA-N 468.587 1.921 30 10 JDEE CCN1CCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1695850736 BYQVGEUBPDGNAO-OAQYLSRUSA-N 481.601 1.898 30 10 JDEE CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1CCCCO1 1696654386 BRULBYVTKJHDQH-FQEVSTJZSA-N 468.558 1.983 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccccn2)n1CC(=O)N1CCOCC1 1698048908 BJWCSEYNPYKHGB-UHFFFAOYSA-N 461.526 1.724 30 10 JDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705510062 RUHDEHHTVSSTDW-UHFFFAOYSA-N 498.653 1.897 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccc(CC)cc1)[C@@H]1CCS(=O)(=O)C1 1705558793 IJARBTUYFWZPNL-HXUWFJFHSA-N 457.600 1.848 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CC1(S(C)(=O)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1705563784 FHEYQHSJIPJXLE-LJQANCHMSA-N 476.624 1.929 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1705566020 LHHUVONGSBNSTO-INIZCTEOSA-N 453.590 1.115 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1705568191 JBOKBOAWZVJWOI-INIZCTEOSA-N 459.553 1.538 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1CCN1CCOC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1705570764 UHMIWIQLCQADGT-FQEVSTJZSA-N 463.648 1.748 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(OC2CCCC2)c1 1705612754 OMCULDSZAAITOZ-HXUWFJFHSA-N 488.614 1.835 30 10 JDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCS(C)(=O)=O 1705614722 RYFGGSKDFFPVML-MRXNPFEDSA-N 455.581 1.481 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1cc[nH]n1 1705619646 XQVQQXGYQBQKDV-UHFFFAOYSA-N 487.499 1.857 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@H]1C 1705630624 APXZTPNPETZUAO-IUKKYPGJSA-N 463.579 1.976 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2Cc2nncn2CC)CC1 1705651370 USIALQOXPUAOSQ-UHFFFAOYSA-N 466.521 1.622 30 10 JDEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705658280 KRWRKRSMHLNNBD-LJQANCHMSA-N 451.556 1.448 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1CSC 1705737063 JFPVJTJPTGBDGW-SJORKVTESA-N 459.638 1.536 30 10 JDEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCNS(C)(=O)=O)CC1 1705780536 QPFUAESWHZSHRK-UHFFFAOYSA-N 471.587 1.534 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2ncccc2F)CC1 1705928616 SJFFEDDDZCCVGG-UHFFFAOYSA-N 491.593 1.366 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@H](C)O[C@@H](COC)C1 1705932255 ABTXTRSGRUTOAE-DLBZAZTESA-N 450.561 1.795 30 10 JDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705947888 ASRBIEBCSGTPJC-UHFFFAOYSA-N 488.662 1.040 30 10 JDEE CCN1CCN(CCCn2c(COc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 1710301453 DUQYAURBPAFPPW-OAQYLSRUSA-N 457.554 1.753 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OCC(F)(F)F 1722351367 ILSITPFPHYVXAX-HNNXBMFYSA-N 488.492 1.065 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCC[C@@]2(CCOC2)O1)[C@@H]1CCS(=O)(=O)C1 1722367738 WYUAZCIKCJQNBM-SRYPRDQNSA-N 496.630 1.357 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1cc([C@H]2CCOC2)cn1 1722466960 JBOKLCQGTKMOOW-LLGFUMIMSA-N 461.592 1.281 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1722750219 LXEJMJDVCHKHFE-FQEVSTJZSA-N 467.555 1.729 30 10 JDEE CC(C)(C)[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1724019638 DIYSQQNPCGITRO-GHRAFVERSA-N 458.588 1.978 30 10 JDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CN(CC(C)C)CCO1 1730298833 BPIMMQQMMVDRLV-SFTDATJTSA-N 454.575 1.963 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1740618663 AGHCJSTYYPWDBI-QGZVFWFLSA-N 462.572 1.750 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CCOCC)CC1)[C@H]1CCS(=O)(=O)C1 1740625233 DWBQREBEOHJFDJ-ROUUACIJSA-N 484.644 1.014 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CCS(=O)(=O)C1 1740630136 FYFBQAJOYDIAHP-LJQANCHMSA-N 481.347 1.469 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)N1CCN(CC)CC1 1740630605 LBEZZAPEHYFOKM-FQEVSTJZSA-N 468.627 1.447 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740644457 HBJPJWHIADEEIX-PMACEKPBSA-N 472.615 1.181 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCOC[C@@H]1OC 1740684735 AFSKXJLCPHCKLX-SFTDATJTSA-N 469.590 1.590 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc3[nH]ccc3c2)CC1 1740702737 WSEYWEITXIGTCO-QGZVFWFLSA-N 497.625 1.578 30 10 JDEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1740715839 GLJCTGZZQULCKI-INIZCTEOSA-N 488.639 1.911 30 10 JDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1740873664 WODAKFUOOJMXMB-SQNIBIBYSA-N 491.618 1.771 30 10 JDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCCS1(=O)=O 1740930178 PGSSQTLWOAWWPH-UHFFFAOYSA-N 469.571 1.406 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1740962122 SYGULGXTLPRTQH-UHFFFAOYSA-N 465.480 1.461 30 10 JDEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CCS(=O)CC1 1740993988 LKERLIURCVDKKA-UHFFFAOYSA-N 470.642 1.749 30 10 JDEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C(N)=O)CC1 1741000559 SHQMGBWGSBJPNG-UHFFFAOYSA-N 463.633 1.859 30 10 JDEE CC(C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1)N1CCCC1 1741316282 CVIZRJVYBTUKOK-SXWKCWPCSA-N 493.678 1.861 30 10 JDEE CCC[C@@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1745175355 GXRYOHDTTDJHQL-DENIHFKCSA-N 476.603 1.670 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CC2([S@@](C)=O)CC2)c1 1748691330 CIUFAZXTPGKDME-PBUKZNKTSA-N 485.610 1.898 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1748808995 PCYUQSLFIKFQAL-PMACEKPBSA-N 475.615 1.830 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1748810645 ZBSVMGRGEYUKPQ-HKUYNNGSSA-N 491.017 1.879 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC[S@](=O)C(C)(C)C)CC1 1748988838 CQCNQRVCQSHNOW-UMSFTDKQSA-N 484.674 1.755 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1749193363 GOSNIPSQNMLHSO-HXUWFJFHSA-N 494.662 1.806 30 10 JDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1749456331 BQUYXUXSWBYLLQ-HXUWFJFHSA-N 456.595 1.494 30 10 JDEE C=CCCOCCn1c(C2CCC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1749457951 XDPWEFQXSIHXNE-LJQANCHMSA-N 453.609 1.769 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1749676051 CBLPVIHLWPQTIO-OYRHEFFESA-N 466.634 1.561 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749677184 QRAWKNGCMJOPHD-DEOSSOPVSA-N 481.557 1.016 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2F)CC1 1749731487 FKWMWDQDDHSYAK-KRWDZBQOSA-N 462.551 1.296 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1749734968 OXUWXPJBEYNZHH-SFHVURJKSA-N 486.660 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30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(CC)C(C)C)c1 1358902297 JZEGZPKXSGOSMN-HXUWFJFHSA-N 486.642 1.967 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1358957409 UFLZPPHGPZCDFO-QHAWAJNXSA-N 458.584 1.862 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1358962488 QQGOLGBFRQZBKH-ROUUACIJSA-N 454.618 1.530 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc([C@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1358964646 CSCXFSIQJSEWAD-PGRDOPGGSA-N 465.579 1.992 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1358966858 YFEGZYDWLLUMCO-KRWDZBQOSA-N 487.611 1.183 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358967190 FVCDWQVIHLXQKJ-LJQANCHMSA-N 485.610 1.838 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccccc1C 1359010605 UTTAXXQYAKRYMJ-FQEVSTJZSA-N 461.588 1.848 30 10 JDEE C#CCSCCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@@]1(OCC)CCOC1 1359061805 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Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)CC2)o1 1538547334 GCKMTKCMBNVTKO-UHFFFAOYSA-N 457.556 1.745 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCSCC(C)C)[C@H]1CCS(=O)(=O)C1 1539200969 UCERIOJVJAMFSH-KRWDZBQOSA-N 453.634 1.530 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1539222197 UIYAWAZXHYOCDQ-IRXDYDNUSA-N 481.500 1.923 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1539224360 FYAWDOHJAQVPOG-UNMCSNQZSA-N 499.637 1.763 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1539224522 HWOLQZAHOYFUJI-NRFANRHFSA-N 456.616 1.765 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCSC1 1539237931 NMDBFBJNTBCSAQ-NRFANRHFSA-N 458.613 1.487 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@](C)(O)C2CC2)CC1 1539489295 KPSHZJQETPLJET-RUZDIDTESA-N 467.570 1.993 30 10 JDEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539730433 YKNNUDGSIFAFMU-UHFFFAOYSA-N 468.558 1.474 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CCOC)C(=O)C1 1540865812 SRLZTENGUVLVRL-UHFFFAOYSA-N 454.575 1.840 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCCN2C[C@H]1C 1540871842 VIZGHCYKZFNZPJ-QRVBRYPASA-N 489.621 1.562 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCOC[C@H]1C 1540873842 LQRFBSNKBWIGPK-HXUWFJFHSA-N 453.591 1.170 30 10 JDEE C=CCNC(=O)Cn1c(N2CCCN(c3ncccc3F)CC2)nnc1[C@]1(OCC)CCOC1 1540876190 JXUIPLDIXRHIIO-QHCPKHFHSA-N 473.553 1.483 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1540896720 SAJSBWCUODXGHW-NRFANRHFSA-N 486.642 1.826 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)c1 1542111829 XMRUZZAQZXVSMQ-FQEVSTJZSA-N 450.495 1.625 30 10 JDEE C#CCCCn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1587894450 UCCAHNYPZWVYBU-WZONZLPQSA-N 450.547 1.720 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1588030283 SBFXDUHREIMPPY-PMACEKPBSA-N 499.641 1.673 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588034683 KJMGOLFXFPWLQE-WOJBJXKFSA-N 457.600 1.925 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588044912 CPCKWTWAWBXFMC-UFYCRDLUSA-N 488.658 1.798 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1588050281 QIGZHOXOEMIJJJ-WOJBJXKFSA-N 471.631 1.730 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1588064860 QJDGJJSUDOZSKQ-OAQYLSRUSA-N 467.599 1.794 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC(=O)N1CCOCC1 1588082855 AWJJOUWDPXPRIV-IBGZPJMESA-N 451.527 1.748 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCO[C@H](C)C2)n1 1588723358 LROUYSNTCCWCHI-MOPGFXCFSA-N 452.563 1.976 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H](OC)C(F)(F)F)CC1 1588923738 KUNKFGUZDMDVML-LSDHHAIUSA-N 456.469 1.162 30 10 JDEE C=C(C)Cn1c(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)nnc1[C@]1(OCC)CCOC1 1593684630 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C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1690312966 HRHZJAOIKXATNW-MOPGFXCFSA-N 490.605 1.990 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1690663472 XWFKACIFNLBKNF-FQEVSTJZSA-N 490.612 1.642 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1690671606 ZVGXTPWXPWNMQB-QGZVFWFLSA-N 474.587 1.234 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1690677194 QLLZETNKEYRTRD-LJQANCHMSA-N 485.564 1.041 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)Cc1cccc(F)c1 1691003039 BGNMGIQFHYENKT-RDJZCZTQSA-N 462.551 1.274 30 10 JDEE CCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN(C)C(C)C)c2ccccc2c1=O 1695905548 HEAUNIXYWYTCEF-QGZVFWFLSA-N 450.547 1.744 30 10 JDEE CO[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)c1ccccc1 1697170079 BHSPPOPVSSUYEN-WOJBJXKFSA-N 474.587 1.739 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705559884 BPBWNHDTXAOXMA-XXBNENTESA-N 480.631 1.762 30 10 JDEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1705561587 RTKQDHVKODMBGU-INIZCTEOSA-N 490.387 1.511 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(F)(F)Br)[C@H]1CCS(=O)(=O)C1 1705571625 DGULKQGHIYHXNJ-NWDGAFQWSA-N 453.309 1.744 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-c1cnn(C)c1 1705588433 FLDOQXLPOKVCJV-GOSISDBHSA-N 465.583 1.800 30 10 JDEE C=C(Br)Cn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705691494 ZEBGUBCSSNALPC-RHSMWYFYSA-N 463.398 1.851 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1705731437 XUSYNQQCEFZHJO-QFIPXVFZSA-N 461.588 1.904 30 10 JDEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)NC)CC1 1705788094 OYAMPYRAEAZYEK-UHFFFAOYSA-N 450.551 1.985 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1705819063 CIFVLCSUXKJDDN-FQEVSTJZSA-N 494.662 1.806 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1705904950 DKDPZYSOKHKTLR-UHFFFAOYSA-N 493.543 1.433 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1705934178 DDOAXZMKBQCZRO-HXUWFJFHSA-N 465.539 1.785 30 10 JDEE CC(=O)N1CCCN([C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(C)(C)O)C[C@@H]2C)CC1 1705983359 VXCWYDXWNCRALR-CVDCTZTESA-N 495.628 1.879 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cccnc1N1CCOCC1 1706610904 BRISLJRNRXWCAI-QHCPKHFHSA-N 452.563 1.826 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC2)C1 1710349560 ARAQHTSNOJXTKJ-FQEVSTJZSA-N 473.603 1.343 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)CCCN2C 1722353695 ZCRDHWKPIKTBJW-HXUWFJFHSA-N 458.588 1.111 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1722358820 LZPUEMVYNSBCSR-CYFREDJKSA-N 498.609 1.252 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1722368330 PYJSYGHCXKWZTC-GIVPXCGWSA-N 484.626 1.376 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCOc2ccccc2)CC1 1722443956 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30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCNC(=O)C1 1301569545 YTEMVRPZHZRYEX-AWEZNQCLSA-N 453.952 1.609 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1301585900 GTOMDWNQVYZRAW-BGYRXZFFSA-N 459.572 1.801 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC)[C@@H](C)C1 1301612541 ZHZPWDWPIIQGIQ-IRXDYDNUSA-N 458.654 1.061 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CCO1 1301899269 HRUMMUIQZDTWAN-FCHUYYIVSA-N 467.574 1.005 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1303471770 HMANSFPXYMDXMW-UHFFFAOYSA-N 475.594 1.896 30 10 JDEE C#CCN(C(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)[C@@H]1CCS(=O)(=O)C1 1310075628 WKGPTYIHIQAMJU-GOSISDBHSA-N 453.586 1.906 30 10 JDEE CCOCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1314280127 CXPPTGITBYJVGW-KRWDZBQOSA-N 490.634 1.544 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)C1=O 1353681074 FRXMYOSKXAVPLR-UHFFFAOYSA-N 450.854 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KTDYUIKMYCLCDB-SFHVURJKSA-N 483.541 1.915 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2OC(C)C)CC1 1705632783 BHRFXVHNLUEYBT-SFHVURJKSA-N 460.604 1.479 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1705736861 FEFMZSGIHWMJNT-ROUUACIJSA-N 467.636 1.904 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccco2)C1 1705737491 SJIKMHMNISCYCK-IEBWSBKVSA-N 465.576 1.791 30 10 JDEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705788925 RPOQIRAPOUSWMT-QGZVFWFLSA-N 498.584 1.720 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)(F)F)CC1 1705805516 JAWNRCPUKGATLH-INIZCTEOSA-N 480.557 1.652 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(C)C)C(=O)C1 1705899333 PHHGKLRDNVFLHU-UHFFFAOYSA-N 454.531 1.323 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1705906911 SLPBUWONJRLTCP-SFHVURJKSA-N 458.538 1.457 30 10 JDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1705907684 UDXWFDNEGACNOL-XMMPIXPASA-N 465.558 1.687 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCCCC2)C1 1705925888 VQNDORRIMRZTHI-ZWKOTPCHSA-N 451.593 1.364 30 10 JDEE C=CCSCCn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@]1(OCC)CCOC1 1705948776 FFGXENKYQYLQNC-LEEZEASISA-N 492.690 1.838 30 10 JDEE Cc1cnn(C[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCNC(=O)C(C)C)CCO2)c1 1707703790 GQMAJBPGPAPYHX-NRFANRHFSA-N 462.558 1.999 30 10 JDEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCS(=O)(=O)NC(C)C 1710722539 IFWDGYDZJQUOBI-UHFFFAOYSA-N 475.619 1.731 30 10 JDEE CNC(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)c1 1711332243 DKLNXAHTQQTOFX-LJQANCHMSA-N 456.572 1.718 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC2CCCC2)nc1 1722293038 BIJIXBWGQTZFGI-FXAWDEMLSA-N 488.614 1.834 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(-c2ccccc2)c1 1722296769 VDNNNOSMKKLRNK-FXAWDEMLSA-N 469.571 1.303 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC2(O)CCOCC2)c1 1722310599 XNIOXCXBKPTTMY-IBGZPJMESA-N 453.543 1.770 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1722359067 PMMOFPLMOOJUHY-IBGZPJMESA-N 473.574 1.913 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1722366121 PWGSXJULVHVBEW-SFHVURJKSA-N 485.639 1.770 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CCS(=O)(=O)CC1CC1)[C@H]1CCS(=O)(=O)C1 1722370646 DDGLNVPBCGKXGN-SFHVURJKSA-N 482.653 1.382 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[C@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1722371795 LPQALYZFJKVXRO-SPEDKVCISA-N 463.604 1.375 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1722396176 GDAWHGMSOVJLOU-RTWAWAEBSA-N 485.610 1.618 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(O)CCN(C(C)C)CC2)CC1 1722435295 GERLGXYCLUFAOG-UHFFFAOYSA-N 482.629 1.953 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCS(=O)(=O)c2ccccc2)CC1 1722435961 YAQPQSFBZATALL-UHFFFAOYSA-N 450.568 1.959 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCOC(F)F)CC1 1722436804 GAMDAXRVANSYAQ-KRWDZBQOSA-N 484.548 1.971 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(F)ccc2SC)CC1 1722436873 GOTCTHRYPJASFW-MRXNPFEDSA-N 463.604 1.845 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1722519147 LTSHUNSQRSUCAX-JLAWEPINSA-N 481.667 1.281 30 10 JDEE C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1722519392 DVJZCUYFKUDZHM-UHFFFAOYSA-N 454.531 1.037 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1722559946 MNVCFKFUMXEBIY-OALUTQOASA-N 453.657 1.318 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722693761 ZMPBIOYMXNYQGO-DYESRHJHSA-N 496.572 1.144 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1722697864 SFGHXEWKPDQQRA-HNNXBMFYSA-N 457.535 1.001 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722700183 ZEZJXONMPPPVMC-HXUWFJFHSA-N 452.559 1.307 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1722700504 LALJSNDSKWZKJQ-GOSISDBHSA-N 464.574 1.561 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@]3(CCCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722732130 UVSMJQGWAWYLGV-WWPVKYPJSA-N 498.646 1.694 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)(C)C)C1 1722738295 FQGCVBOWLYZGGA-IRXDYDNUSA-N 473.665 1.782 30 10 JDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1722739582 GGSDTHGKNQDLCB-RBUKOAKNSA-N 475.663 1.671 30 10 JDEE COc1ccncc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1730339819 GVIZZONAPLRGKD-HNNXBMFYSA-N 455.544 1.848 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1740576190 ZDXUAMCKFMYNJK-SFHVURJKSA-N 461.592 1.387 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1740617625 UONCXCHDZXDHFP-QIJUGHKUSA-N 494.639 1.526 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1740621367 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C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1722726052 XXBJHBKSSCFUDC-NRFANRHFSA-N 497.625 1.233 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1722728935 ZZULZGVPDUAHNA-UHFFFAOYSA-N 461.592 1.662 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722751756 UEKNHIUDVAZSLP-UHFFFAOYSA-N 471.605 1.308 30 10 JDEE CO[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)C(C)C 1729886250 GRYMHNQYDNKIQI-ROUUACIJSA-N 454.597 1.412 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCN2CCN(C(C)=O)CC2)c1 1740563301 SAVRUZLDZTVMCE-HSZRJFAPSA-N 493.612 1.740 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@]2(O)CCN(C)C2)c1 1740564847 ZLXFHHNGXYZYPS-VWLOTQADSA-N 459.554 1.387 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)cc1SC)[C@H]1CCS(=O)(=O)C1 1740622644 FKTRGTQXXFWKHQ-ZWKOTPCHSA-N 473.624 1.935 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1740624290 HVGYEWKXKKAGNW-FQEVSTJZSA-N 458.584 1.232 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(NC(C)=O)nc2)CC1 1740706894 HMYITYGXYXXVQB-UHFFFAOYSA-N 472.553 1.631 30 10 JDEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1740714060 PYRUEJBEVCIMPJ-UHFFFAOYSA-N 480.598 1.087 30 10 JDEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1740845741 ZVULVUUQEIGVRK-SFHVURJKSA-N 451.535 1.474 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCc2cccnc21 1740941038 AEMDKUDTPJCVLF-VQTJNVASSA-N 490.630 1.765 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1740992126 BCUKMBDRJVGYMA-AVRDEDQJSA-N 461.588 1.639 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1740994852 VNMJVHDXMKBZTE-UHFFFAOYSA-N 498.613 1.098 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cnn(-c2ccccc2)c1 1741130753 BIXACJRXAFWTHD-RXVVDRJESA-N 498.613 1.635 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2ccnc2C)C1 1746552287 GGOYZVGBYDNGDX-HXUWFJFHSA-N 484.586 1.452 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1748717932 MCWNJVFELGWLPR-FQEVSTJZSA-N 490.674 1.555 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1748804821 LSWUAPPSVWAKQB-GANKUMKJSA-N 498.671 1.247 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc(F)ccc1OC)[C@H]1CCS(=O)(=O)C1 1748805591 UYIGHIBZKFAWMC-WMZHIEFXSA-N 492.573 1.753 30 10 JDEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1748808581 LKSPDXPMKKEKRK-FXAWDEMLSA-N 495.399 1.486 30 10 JDEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1748817210 GPWOUQKIOZVGTR-QFBILLFUSA-N 460.556 1.578 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1748824656 GHICZLGWKVNJJS-UHFFFAOYSA-N 474.525 1.253 30 10 JDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1748935599 YSJJFLGVTLKQII-ROUUACIJSA-N 490.655 1.933 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@@H](C)C2)CC1 1748989236 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C=CCOc1ccccc1[C@@H]1C(C(=O)N(CC)CCCC)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865730584 CQLPTORQVHSQCW-GOSISDBHSA-N 468.554 1.992 30 10 JDEE C[C@H](NC(=O)c1ccc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1)C(=O)Nc1ccc(C#N)cc1 1866899903 KRGOWEAXUHHCAC-MBSDFSHPSA-N 495.605 1.624 30 10 JDEE N#Cc1cccc(C(=O)Nc2nc(N(CCO)Cc3ccccc3)nn2[C@@H]2CCS(=O)(=O)C2)c1 1869981059 ZGRDGKWPMVNSFS-HXUWFJFHSA-N 480.550 1.761 30 10 JDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)CCCN3C(=O)c4ccccc4C3=O)cc2C1=O 1870144195 RPVQRLYWDJEBRD-UHFFFAOYSA-N 483.444 1.380 30 10 JDEE C=CCn1cc(OCC(=O)N(C)C[C@H]2CCCO2)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870547999 RFNIXVHSFNARTR-HXUWFJFHSA-N 476.574 1.325 30 10 JDEE C=CCNC(=O)c1nc(C(=O)N2CCC(OCC#CCN3CCN(CC)CC3)CC2)cs1 1890339552 ZZZZMLIGJYIHNL-UHFFFAOYSA-N 459.616 1.321 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2184064064 NULXQMUIONTHEY-RCCFBDPRSA-N 462.352 1.656 30 10 JDEE CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255631890 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JDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282845446 SXOSIBVMDBAJOE-NVXWUHKLSA-N 482.408 1.804 30 10 JDEE COc1ccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O)cc1B1OC(C)(C)C(C)(C)O1 2296178472 NSGLLAUIPQNFFL-KSSFIOAISA-N 464.368 1.885 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)n1C 2337271842 BCWGQHQHWDICEF-UHFFFAOYSA-N 458.315 1.918 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)N2CC[C@H]1C2 2368742388 LTDOGVCFFDHTDN-GJZGRUSLSA-N 478.424 1.866 30 10 JDEE CCOC(=O)c1cccc(OC[C@H](O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 28653949 WMTYYKJBEVSVON-HXUWFJFHSA-N 473.551 1.481 30 10 JDEE O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2ccncc2)/C1=C(/O)c1ccc2c(c1)OCCO2 102716576 YEENCJJQIVSWOE-RKKARLDVSA-N 465.506 1.997 30 10 JDEE CO/N=[N+](\[O-])CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 103936700 WLWVYENFRSCKQP-OBOGJDLMSA-N 463.472 1.959 30 10 JDEE C#CCNC(=O)c1ccc2oc(N3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)nc2c1 247967793 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1300701115 HCGYRBNQTMOMFZ-UHFFFAOYSA-N 458.513 1.184 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCN2CCCO[C@@H](C)C2)CC1 1300725086 GDZBSSRKFOKZDZ-FPOVZHCZSA-N 458.607 1.249 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(Cl)nc2C1 1300989419 BKDWYWZXSDTTNF-GOSISDBHSA-N 497.021 1.815 30 10 JDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1301129903 GRKRVZIPIDOVBA-HXUWFJFHSA-N 457.623 1.746 30 10 JDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1301380093 ZDIYNGHWOFCBFS-LJQANCHMSA-N 469.575 1.523 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1301491352 QELSIFAWKGRWJB-UHFFFAOYSA-N 454.560 1.441 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCCN(CC)C(=O)C1 1301497428 WLFQDCFBTTXFGQ-UHFFFAOYSA-N 492.584 1.597 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1301505826 BJROFFAOYHTJKG-CVDCTZTESA-N 497.619 1.689 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(c2nccc(OC)n2)CC1 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C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1359326533 CFAPBPFWYVHKTC-UHFFFAOYSA-N 471.587 1.215 30 10 JDEE C[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1)N1CCOCC1 1360535433 CWLVEZHMZFJXGN-SFHVURJKSA-N 487.630 1.656 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)cc1 1465753564 FOJGGQVXOBDGQZ-UHFFFAOYSA-N 457.527 1.654 30 10 JDEE CCC[C@](C)(O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1499931023 GOPOWGGKIOYKCF-DEOSSOPVSA-N 485.637 1.988 30 10 JDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1503701483 AXFGPNUERKGJJA-UHFFFAOYSA-N 491.556 1.088 30 10 JDEE C#CCN(c1nnc(C)n1C[C@H](c1ccc(C)cc1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507625519 JYFBJYNKILQWLX-FGZHOGPDSA-N 457.600 1.595 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1507629418 LZUDUVFGNMYMDX-GOSISDBHSA-N 452.540 1.022 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Br)cs1 1507690401 SMZPBMAJGUXGIC-OAHLLOKOSA-N 488.433 1.943 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCO[C@H](C)C2)CC1 1507718027 LDOFFGOPVGKYMB-MOPGFXCFSA-N 457.600 1.919 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(C)COCCO2)CC1 1507730883 XMAGFUNBOBOIIR-NTKDMRAZSA-N 490.605 1.147 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nc(C(C)C)cs2)CC1 1507736727 SFPAFLPXISHRNP-OAHLLOKOSA-N 493.659 1.482 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCOCC1 1507772388 JTXVFBMHZRJIGN-GHTZIAJQSA-N 451.593 1.420 30 10 JDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507779193 LISMNSLVTGDRSN-INIZCTEOSA-N 487.399 1.485 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1c(C)noc1C 1507844698 NUJKHVNSEJCKFZ-GOSISDBHSA-N 468.580 1.445 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1508079069 NFAWFOIPGZEPQP-MAUKXSAKSA-N 454.531 1.322 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1508083011 YVJFHLZOUKCQKQ-PMACEKPBSA-N 454.623 1.581 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1508084379 NJJPEJRWDOSZAS-MRXNPFEDSA-N 469.571 1.411 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1508095276 VCDOAJNGKMEPSQ-OAQYLSRUSA-N 460.922 1.844 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC(=O)N2)C1 1508122247 CYHSXUJNLFWRLF-SQNIBIBYSA-N 476.578 1.646 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNC(=O)c2cccc(O)c2)C1 1508122695 KFMXZKFMHYWCBS-OALUTQOASA-N 454.531 1.536 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1508141079 LCUQWLBUKSAJGD-UHFFFAOYSA-N 498.631 1.177 30 10 JDEE COCCN(C)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1519113246 CVMZARSTRSSGMM-JOCHJYFZSA-N 454.510 1.212 30 10 JDEE C[C@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1521476998 SGFYJQFECHVHTG-QUCCMNQESA-N 455.559 1.691 30 10 JDEE C#CCN(C(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1)[C@H]1CCS(=O)(=O)C1 1530298076 STDFQNJNMKAFOG-HNNXBMFYSA-N 452.579 1.405 30 10 JDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1539115827 CQOFRJCUQPTSEO-IBGZPJMESA-N 456.572 1.544 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1539533085 KGJSFZDXXATSSF-RUZDIDTESA-N 479.585 1.452 30 10 JDEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539587793 LKCDVRPCJYSAHG-UHFFFAOYSA-N 489.374 1.790 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1539618737 ALISXKUTLXVRPB-NNIGNNQHSA-N 481.619 1.694 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(N(C)C)CCSC1 1539670169 YFHBRHUMEZBZMU-XLIONFOSSA-N 472.681 1.451 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCS(=O)(=O)C1 1540129741 XZHXYKUZIIQLQT-QHCPKHFHSA-N 484.582 1.014 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(C(=O)N2CCCC2)CC1 1540861873 JQNWYQQADFRFPN-UHFFFAOYSA-N 459.595 1.338 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](NC(C)=O)C2)cc1 1540877740 DLZNDCNGZNCUDO-VQTJNVASSA-N 473.599 1.898 30 10 JDEE CCO[C@@H](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)C(C)C 1547843211 AQOJMRBBVYCVPY-RBUKOAKNSA-N 468.624 1.802 30 10 JDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1555197902 DFGVFKAIGJPZJS-QFIPXVFZSA-N 481.601 1.469 30 10 JDEE C=C[C@](C)(O)CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1587993841 NCPBOKSLJKPNBG-IBGZPJMESA-N 459.952 1.085 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588035593 VTRXIIZBHOSMBW-KNQAVFIVSA-N 487.626 1.929 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1588035634 WHQZTUJCJCWPLS-RXVVDRJESA-N 461.544 1.887 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588046100 XDGJNOQKYFMPTG-KRWDZBQOSA-N 476.603 1.825 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](C)CN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1588059312 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C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1595507212 ZTSGNXDAFLAGSG-MRXNPFEDSA-N 479.994 1.300 30 10 JDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](CNC(C)=O)C1 1595664297 APXKSOUOLCRJMZ-FQEVSTJZSA-N 468.558 1.355 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)OC)CC1 1595765855 HWIZPQPWUUKAHW-UHFFFAOYSA-N 463.516 1.844 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(O)CCOCC1 1596840568 DXAZZQQTVSQPNW-NRFANRHFSA-N 467.618 1.780 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)Nc2cn[nH]c2)c2ccccc2)s1 1623333815 GMZZEJRQNGTHDR-IBGZPJMESA-N 459.553 1.974 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 1627015723 ZCTXDKFXYDZTTJ-INIZCTEOSA-N 451.354 1.630 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@](COC)(C(=O)OC(C)(C)C)C2)s1 1635355277 NXXPVCSIFONJAM-HXUWFJFHSA-N 458.602 1.962 30 10 JDEE C=CCN(C(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1669908632 QRBBNHBZECJBDY-CQSZACIVSA-N 456.952 1.365 30 10 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466.546 1.228 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@](C)(O)c1cccs1 1692781394 DNHAIONBEFROJU-LIRRHRJNSA-N 452.606 1.988 30 10 JDEE CC[C@@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1694222755 FCVKRDAGSPQINL-MRXNPFEDSA-N 453.547 1.735 30 10 JDEE N#C[C@]1(F)CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(=O)NCC(F)(F)F)C1 1698483652 HPRUXEJFMFHCAJ-GOSISDBHSA-N 464.383 1.714 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1705495523 RFBSOKJXVXJIMS-VQIMIIECSA-N 453.572 1.884 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1705516919 LHDHMNJCPUKWDC-FQEVSTJZSA-N 476.647 1.118 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1705566238 LRQXOOYQLIRUFJ-OALUTQOASA-N 462.597 1.164 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705567711 ZRDKIUPBNMIWMO-QRVBRYPASA-N 462.620 1.120 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c2c(c1)OCCO2 1705589352 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C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(OC)nc2ccccc12 1722412831 FOOTYFNZRPHEKG-FQEVSTJZSA-N 484.582 1.676 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](C)SC)CC1 1722433918 IZBCPKFRFUVKKU-KRWDZBQOSA-N 462.645 1.702 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCN2CCC)CC1 1722443887 CYPYQLDLJIOGNO-ICSRJNTNSA-N 493.678 1.119 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)c2cccc(C)c2)CC1 1722446365 UEPZCOIDIJLRDE-UHFFFAOYSA-N 474.569 1.383 30 10 JDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1722480875 UNNLAAICAQFEAQ-VDZJLULYSA-N 499.454 1.900 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2c(ccnc2N(C)C)C1 1722725015 KHXFFSCHMZITLT-UHFFFAOYSA-N 496.597 1.550 30 10 JDEE Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1725800840 HTSMCSHSMBKVTK-UHFFFAOYSA-N 472.575 1.265 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)N1CCOCC1 1740549714 GQYASRVEUXBCIY-OKZBNKHCSA-N 463.629 1.773 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1740620650 GDXMANPPGXFVQQ-PBHICJAKSA-N 459.601 1.874 30 10 JDEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740719906 UFPVZDSAPMGCLB-UHFFFAOYSA-N 453.547 1.961 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1740793904 ZFTISFAMKOQXGY-HBMCJLEFSA-N 459.639 1.817 30 10 JDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1740827745 JEORNXDGVFHVHW-QGZVFWFLSA-N 458.588 1.921 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCOC2(CCOCC2)C1 1740964132 IVZONRWMZFBPMM-UHFFFAOYSA-N 457.531 1.554 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](C)(C(=O)NC)C1 1740987494 UXRSNVYWQAXOSL-SFHVURJKSA-N 485.408 1.599 30 10 JDEE C=CCSCCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1741004650 HZFJCXDBYDISMN-GOSISDBHSA-N 470.599 1.486 30 10 JDEE CC(=O)N1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CS(C)(=O)=O)C1 1741026447 FKEGUHAXQOJHEP-VQIMIIECSA-N 458.588 1.945 30 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456.547 1.615 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(C)(C)CN1CCOCC1 1760137638 LRSSNZKAPQCCHB-LJQANCHMSA-N 451.637 1.778 30 10 JDEE C#CCCCn1c(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1760159741 OIXGNZHYLZUJLW-RXVVDRJESA-N 453.609 1.451 30 10 JDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OCC(F)(F)F)nc1 1760163114 LZWPNOUTBSOFPV-CYBMUJFWSA-N 460.482 1.537 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1760183215 PGCYVAURIYQKCL-HXUWFJFHSA-N 473.599 1.937 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(C[S@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1760184752 KZVPWYRPPUATFG-WEZXKFLESA-N 483.619 1.894 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1760192015 PGAIJYNMWLMEQT-XXBNENTESA-N 474.583 1.198 30 10 JDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1760192134 RITRKBHZPOEPBB-KKIUXKEOSA-N 473.624 1.676 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@H](N1CCOCC1)C(F)(F)F 1760210181 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CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@@H]21 2258487731 RUPXJABSOPBBBK-AGIUHOORSA-N 450.370 1.843 30 10 JDEE Cc1c(C(=O)N2CCOCCN2C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266996167 GBESTAORLMBUSL-UHFFFAOYSA-N 450.345 1.652 30 10 JDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267002590 BYCJUVXQSSQHSU-HUUCEWRRSA-N 450.345 1.083 30 10 JDEE CC(C)(C)OC(=O)NC1(CO)CCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CC1 2267163443 XAHOLECAHGYLNN-UHFFFAOYSA-N 467.397 1.934 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2267240156 BYWSVVMPUZOMSD-LSDHHAIUSA-N 465.381 1.903 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CC1 2267368287 GXTMTRRQRCOIJX-CQSZACIVSA-N 470.401 1.301 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)Cc1cc[nH]n1 2267370170 HZGTXRYYWGWYCN-UHFFFAOYSA-N 457.365 1.834 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H](CO)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267702285 DRAOSVXCOQPSDR-AWEZNQCLSA-N 490.815 1.803 30 10 JDEE CC(C)(C)OC(=O)N1CCC(O)(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2268706291 NQIVYWDYMNTRPT-UHFFFAOYSA-N 467.397 1.821 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)=C[C@H]1O 2268715909 SKRWTJZORTUFJY-ZIAGYGMSSA-N 465.381 1.643 30 10 JDEE CC1(C)OB(c2csc(S(=O)(=O)NCCN(CC(=O)O)Cc3ccccc3)c2)OC1(C)C 2269036757 FXPBLVBBYJUYDE-UHFFFAOYSA-N 480.417 1.912 30 10 JDEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)c(F)c2)OC1(C)C 2282326435 SGAOYUCTECYJMR-OLZOCXBDSA-N 478.273 1.661 30 10 JDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)n1C 2282513144 YEIHNJKMYSVQOS-HUUCEWRRSA-N 482.412 1.410 30 10 JDEE Cc1c(C(=O)N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554896 KUIKYLRKCXUPGJ-YPMHNXCESA-N 458.290 1.557 30 10 JDEE Cn1ncc(C(=O)N2CCO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2282574556 QGPTYFKDGBFUKS-JKSUJKDBSA-N 462.356 1.180 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C)n1 2282590202 YDAMLYUKGRHONL-OCCSQVGLSA-N 458.290 1.874 30 10 JDEE COc1cc(C=N/N=c2\[nH]c3c(c(=O)n(C)c(=O)n3C)n2C/C=C\c2ccccc2)ccc1O 254824420 DKODTGAAERUVAK-KDTDWWHWSA-N 460.494 1.729 30 10 JDEE N#Cc1c(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](CC(N)=O)N[C@@]32C(=O)Nc3ccc(F)cc32)sc2c1CCCC2 1076125695 NFAWCQBGFWYSGT-YJGYRPNBSA-N 493.520 1.438 30 10 JDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3)C2=O)cc1 1156591464 FBXIJFCZVWEAKN-LEWJYISDSA-N 452.536 1.629 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(C)CCCO2)c1 1286308121 FTUXLHXUEISHOF-AOMKIAJQSA-N 474.587 1.514 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1286350002 SCGNGAJICPROFR-QZTJIDSGSA-N 496.634 1.470 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1286471113 IRCLFHMFTXJUEX-OAQYLSRUSA-N 464.492 1.622 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1 1286523397 UVZQIJFKWLNKEM-SEPYTNNBSA-N 458.563 1.857 30 10 JDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(NS(C)(=O)=O)CC1 1286535930 MHBYEFKZHBFMMY-CYBMUJFWSA-N 466.402 1.429 30 10 JDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286771705 IUPRQLQAWJORDG-UHFFFAOYSA-N 457.564 1.357 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1286789216 QNCJELMPKYGWJL-UHFFFAOYSA-N 459.554 1.837 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286793413 DNXZWDIIIPOYJM-YLJYHZDGSA-N 470.578 1.086 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)NCCC)CC1 1286819432 KGGWHZKEMFIYLU-UHFFFAOYSA-N 460.604 1.992 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1286819639 QTDPWOJTIKYKRZ-IBGZPJMESA-N 454.556 1.871 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Cl)ccc2I)CC1 1292889950 QYGVWHJGZZYYSN-UHFFFAOYSA-N 459.715 1.842 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1N1CCCC1 1300306932 ALZBKZRDQPRYHV-UWJYYQICSA-N 490.605 1.857 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1300408601 BBUKLBAXGNFFRX-NRFANRHFSA-N 490.674 1.412 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300501359 KDYBUJLIBLHAKA-CQSZACIVSA-N 475.518 1.236 30 10 JDEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1300618873 OBGXFNQYLDCNQR-SFHVURJKSA-N 476.541 1.684 30 10 JDEE C=CCNC(=O)Cn1c(N2CCCN(C(=O)OCC(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1301519618 QNTAQJDOFVUERY-QHCPKHFHSA-N 478.594 1.537 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1301586467 MGKKMKXTYYIMJC-QHCPKHFHSA-N 473.599 1.532 30 10 JDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H](C)CN3CCN(c4ccccc4)CC3)CC2)c1C#N 1312062669 FTAYRHBZIZMPKW-LJQANCHMSA-N 450.591 1.643 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC(=O)NCC(F)(F)F)c1 1358903762 IWIRRFPMLVTTLN-MRXNPFEDSA-N 464.448 1.864 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358956891 MAOLVQGEKBPVBA-IEBWSBKVSA-N 479.628 1.148 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2OCC(F)(F)F)CC1 1359035115 LLGBGXMSATYNBF-QGZVFWFLSA-N 462.476 1.974 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CN(C2CC2)C1=O 1359113782 QMCCAOWSAXQRPK-UTKZUKDTSA-N 466.608 1.024 30 10 JDEE C=CCCOCCn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359229829 WGIXWPSCSABJHY-FGTMMUONSA-N 478.594 1.593 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359294540 WYJJRKXKZJBQIA-KRWDZBQOSA-N 464.473 1.190 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359330619 XOALPNBNMZFHHC-UHFFFAOYSA-N 473.534 1.272 30 10 JDEE CC1(C)COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1360830008 CPZZZDWAEQSOST-IBGZPJMESA-N 458.588 1.551 30 10 JDEE N#Cc1ccc(CN2CC[C@H](NC(=O)CCNS(=O)(=O)/C=C/c3ccccc3)C2=O)cc1 1467706176 FRIVBZXRXFHEIL-NKSQBSFPSA-N 452.536 1.756 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccncc2)C1 1502468611 BTGQHBPPVNMONM-HXUWFJFHSA-N 451.556 1.972 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1CCS(=O)(=O)N1CCSCC1 1507538464 UGYBYZZDMKNEPW-MRXNPFEDSA-N 451.593 1.845 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1507564582 SPQWKLNSTNBBPI-SFHVURJKSA-N 451.593 1.898 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1507659372 SVNYIQFFQXNTNK-VRFOASHRSA-N 493.568 1.648 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H]1CSC 1508084450 BLDDNONUSNRLRV-HNNXBMFYSA-N 453.572 1.826 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1508125248 HYLBIZJXHAMQTD-XMSQKQJNSA-N 462.572 1.208 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](NC(C)=O)C1 1508144764 GOAWDQARXLXGCA-INIZCTEOSA-N 467.542 1.853 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1508146644 AEUABCYNPRPXKH-QGZVFWFLSA-N 468.649 1.438 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1508644990 CRNBCJXAQDPHBB-QGZVFWFLSA-N 460.560 1.965 30 10 JDEE CC(C)SCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1509889478 DLIKCCHRTJDRST-UHFFFAOYSA-N 483.642 1.939 30 10 JDEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC)C1 1515008887 DCQGVTMTSCNSHY-IBGZPJMESA-N 458.588 1.994 30 10 JDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1517428764 HICNDMXILBUHQW-OAHLLOKOSA-N 463.546 1.996 30 10 JDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1)OC 1518719684 DNJADMUBADIEGR-OAQYLSRUSA-N 468.558 1.553 30 10 JDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)C1 1519515684 DPPFOMBVTIYIFX-MOPGFXCFSA-N 493.611 1.319 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCOCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539230971 NEVDVACRMAILRF-VQTJNVASSA-N 466.604 1.590 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCC1 1539416837 SYVLXYTUWWBBBO-SFHVURJKSA-N 463.579 1.978 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCC(=O)NC2CC2)CC1 1539484583 VKQVMORNBPOQMP-UHFFFAOYSA-N 469.615 1.658 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1539891105 XVGIROGVHZFVDI-ZVDOUQERSA-N 496.678 1.513 30 10 JDEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539971582 LIBVGNLUHIZLHJ-UHFFFAOYSA-N 451.575 1.891 30 10 JDEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1540006911 YFTVDGPBAWTPIN-UHFFFAOYSA-N 484.992 1.955 30 10 JDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1540048347 UIHUIQQNPJGBMR-YVSFHVDLSA-N 484.623 1.535 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1540904034 ISRMYALNLCWKIJ-UHFFFAOYSA-N 472.615 1.704 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2CC)C1=O 1545082230 CBGAIELMYXNDIP-QGZVFWFLSA-N 458.515 1.908 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCCCCC2)CC1 1547763989 ADJDLJARWYVKNK-UHFFFAOYSA-N 492.628 1.868 30 10 JDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC2CCN(c3ccccc3C#N)CC2)[C@H](C)O)cc1 1586691027 GBQHGCVWIXTSMR-JTSKRJEESA-N 456.568 1.680 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588040578 OQECCOKLXWMVNY-LJQANCHMSA-N 454.556 1.312 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1588051107 ZPPNWLQGQNZGMD-WOJBJXKFSA-N 459.620 1.570 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1588053651 GSPUOXAJVLHENR-RDJZCZTQSA-N 465.601 1.450 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1588082860 AXVFPAZWSJFSNX-KKSFZXQISA-N 462.959 1.694 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccsc2)n1 1588723981 RTHPYWDYXUPZBW-SFHVURJKSA-N 474.612 1.773 30 10 JDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1588975050 DIELYBOVTBJILH-QGZVFWFLSA-N 481.630 1.940 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ncccc2F)CC1 1588984450 HORVDGVXILZCRD-INIZCTEOSA-N 481.623 1.506 30 10 JDEE C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1589427273 GFGBFYMMUCPQJO-UHFFFAOYSA-N 494.419 1.943 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1589608740 NHOIQHPRNRCZKA-QFIPXVFZSA-N 480.587 1.923 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1595823786 SJYRBLLHVOQZIG-JOCHJYFZSA-N 477.562 1.238 30 10 JDEE C[C@H]1[C@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1612860137 CPRYXKZKXZTESI-SJORKVTESA-N 459.572 1.903 30 10 JDEE C=C(C)Cn1c(SCC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1-c1ccco1 1623616706 SWPRJXQUQSLPMU-KRWDZBQOSA-N 458.588 1.971 30 10 JDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C)(C)S(=O)(=O)CC1 1626713334 GKLSQAJGPSDZGR-MRXNPFEDSA-N 455.602 1.710 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)ccc1F 1634744804 WPONJKLYFRPYEZ-OAHLLOKOSA-N 459.540 1.590 30 10 JDEE C[C@H](NC(=O)[C@@H](C)N1CCN([C@@H](C#N)c2ccccc2)CC1)c1ccc(S(N)(=O)=O)cc1 1652763785 HKCKWIRCTOXXIB-SVMVAKDDSA-N 455.584 1.782 30 10 JDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 1665721266 FISDHJNTICUSGY-UHFFFAOYSA-N 453.508 1.245 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)CC1 1668495841 VXLKOYIIYHAJPA-UHFFFAOYSA-N 455.540 1.864 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CC2(O)CCS(=O)(=O)CC2)c1 1689868620 MGPUQVRTZZJAKD-UHFFFAOYSA-N 473.599 1.572 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCNS(=O)(=O)CC)c1 1689870320 KFKOVETZADXMOP-UHFFFAOYSA-N 481.582 1.644 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cn4ccccc4n3)n2CCC(=O)NC)c1 1689871970 KCMOPYFTXSDMSO-UHFFFAOYSA-N 470.537 1.709 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Cc1ccc(OC)c(OC)c1 1689965997 IIJODDDVNKLVPK-UWJYYQICSA-N 491.614 1.576 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689982879 WGIBNQZLKCOJDX-WMZHIEFXSA-N 474.583 1.636 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1689982988 YKCLKNJMMJVQLL-YLJYHZDGSA-N 456.634 1.699 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)c(OC)c1 1690077212 KUCPRLUDVQIXMW-FQEVSTJZSA-N 461.588 1.630 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)NCC=C)CC1 1690136179 ANALVTKVBOULNY-UHFFFAOYSA-N 477.569 1.415 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2ccccc2)CC1 1690146501 PJGTUCPXFVDFDV-NTKDMRAZSA-N 485.610 1.054 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCS(=O)(=O)C1 1690567500 GEZJZEUAHMUOOS-JOCHJYFZSA-N 459.572 1.143 30 10 JDEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1690631130 OYARIMRDHKCFNU-UHFFFAOYSA-N 476.314 1.368 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](OCCOC)C1 1690661692 DITRKKPDFRINSJ-INIZCTEOSA-N 481.395 1.980 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSCC1 1690683797 VXHRTCJVYQSIHB-IBGZPJMESA-N 479.628 1.777 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1690722725 SXXOYOMWWYRKDG-OAQYLSRUSA-N 485.614 1.135 30 10 JDEE CC(C)CN1CCO[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(N)=O)C2)C1 1692433681 DDNUSHITBCYMKR-NHCUHLMSSA-N 451.575 1.875 30 10 JDEE CO[C@@](C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1)C1CC1 1697102054 BYCBZNRHTSKTJU-URXFXBBRSA-N 468.558 1.885 30 10 JDEE COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1697452749 CUQCLCCOWQDOJI-DENIHFKCSA-N 474.587 1.798 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1705480628 XDXYDGAYUMLTAM-CJFMBICVSA-N 467.618 1.973 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1705558817 JGKSJMJIXABVCU-MGPUTAFESA-N 465.601 1.012 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1705560429 GUKSKPPGLASOHW-AUUYWEPGSA-N 495.403 1.141 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705563605 AUNISNYYJREWQU-PMACEKPBSA-N 457.600 1.601 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1oc(CCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1705565722 JXLDFSVUZUCEDE-DLBZAZTESA-N 495.627 1.104 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1705568680 SQFJWZVEEDYVOQ-LJQANCHMSA-N 456.576 1.031 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705568683 SQXBWMBYLSYFQH-VQTJNVASSA-N 490.674 1.538 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c2c(c1)OCCO2 1705583252 TXVMQAFDWUDGMH-INIZCTEOSA-N 460.943 1.726 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(=O)NCc2ccco2)CC1 1705636524 NLKHWWXMCKLZKL-UHFFFAOYSA-N 464.526 1.627 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC(=O)NC)CC1 1705645417 SXRGDUDLXAGETN-MRXNPFEDSA-N 456.522 1.659 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@H](C)OC)CC1 1705645657 ZMLIAHGLJPGARD-INIZCTEOSA-N 487.630 1.547 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1705725588 JMTOBMPHKHIIOR-GOSISDBHSA-N 483.616 1.227 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1705725713 OASYLKKCBROYAZ-SFHVURJKSA-N 498.650 1.928 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1705792369 RUDAEAFRKWIDJG-ZWKOTPCHSA-N 478.663 1.572 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1705899082 HSXJJKKTHXBCGA-SIKLNZKXSA-N 465.602 1.545 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1705928408 PVWYJQBLFVCYIE-LJQANCHMSA-N 477.587 1.604 30 10 JDEE CNS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1711424362 HSGXWONBAJNGGK-UHFFFAOYSA-N 480.598 1.206 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722359945 XTHIDJPHVKLKIK-GOSISDBHSA-N 451.593 1.250 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722500451 RNZBMXMLIPYXKA-WDPSMDGFSA-N 464.563 1.344 30 10 JDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1722628654 YMCTWKPMXWOYBY-PMACEKPBSA-N 473.622 1.345 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)[C@@H](C)C1 1722685581 BSCXXULVIVUUEH-ZWKOTPCHSA-N 450.584 1.929 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1722691873 BJGKQWWKWISJNM-HNNXBMFYSA-N 488.980 1.622 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1722694527 YCEPVLVSVPOBBJ-UHFFFAOYSA-N 461.530 1.523 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1722694616 BSGMKIHZIPCITL-INIZCTEOSA-N 468.558 1.760 30 10 JDEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1722708557 XWCQRWRZXHBMKR-OAQYLSRUSA-N 465.558 1.704 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1722724370 VDPQUJAUUOIYOS-XJKSGUPXSA-N 497.419 1.694 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722868647 CRMCBXCGSCTJPO-HZPDHXFCSA-N 450.540 1.874 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1723771782 HTIUXJCBTQITBT-LAUBAEHRSA-N 451.575 1.973 30 10 JDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC2)CC1 1727101105 BBDZKJBSVXSTOV-AZUAARDMSA-N 451.575 1.890 30 10 JDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCS(=O)(=O)Cc2ccccc2)C1 1731179426 BZMBGZHWCNQKMX-LAUBAEHRSA-N 460.535 1.676 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](COc2ccccc2)C1 1740591307 NUTUYKJSAOABLC-LEWJYISDSA-N 489.598 1.309 30 10 JDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OCCO)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1740622414 CQVSVSQORKGASQ-SFHVURJKSA-N 460.556 1.210 30 10 JDEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1740626901 NVUIEOZILPLEPA-YLJYHZDGSA-N 460.556 1.580 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Br 1740640582 QGPNYKXDFOFWRT-GOSISDBHSA-N 492.399 1.495 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1c(C)nc2ccccc21 1740671527 JGLYLULRXRQIPB-FQEVSTJZSA-N 471.587 1.429 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1740690229 QDDLBJMIHDZXEJ-UHFFFAOYSA-N 480.573 1.548 30 10 JDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(CS(C)(=O)=O)CC2)CC1 1740696726 DECNJXIJLWVSIW-UHFFFAOYSA-N 463.554 1.727 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCCN2CCOCC2)CC1 1740706928 IUWWUZDAPFPXFZ-UHFFFAOYSA-N 480.613 1.566 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1740749703 CSFDNZASVLEJEI-NMIHRBCNSA-N 487.649 1.386 30 10 JDEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740780848 RDOLBRBZOMNCIT-UHFFFAOYSA-N 468.558 1.856 30 10 JDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1740885656 LKJORUFACFMYBV-IBGZPJMESA-N 453.547 1.247 30 10 JDEE C=CCN(CCc1ccco1)c1nnc(Cc2cccnc2)n1C[C@]1(O)CCS(=O)(=O)C1 1740936991 PWFGGEKZHOGQHV-JOCHJYFZSA-N 457.556 1.642 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCCN(C(C)=O)CC1 1740953943 WOTXYRLZESGBBB-UHFFFAOYSA-N 464.368 1.407 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1740954973 KBKSZPHLDWHBNH-OAHLLOKOSA-N 466.464 1.761 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740961180 OACNSZNYAFGDDY-UHFFFAOYSA-N 459.982 1.035 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(c2ccccc2CO)CC1 1740993564 AFJZLDYDLSUSLE-UHFFFAOYSA-N 487.626 1.878 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)c1ccccc1 1741130937 CLHMLQFTMQZSPR-HKUYNNGSSA-N 461.592 1.343 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(Cn2ccnc2)c1 1741925341 HLAUHKUXWUVSHH-IERDGZPVSA-N 472.550 1.623 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1nc2c(s1)CCCC2 1741943391 FLPIQBYIUPTEFF-ZIAGYGMSSA-N 465.605 1.195 30 10 JDEE CCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1746964546 CCTCGSKYJOWQAF-IBGZPJMESA-N 459.572 1.762 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CC(OCC)C1 1748649879 UKSCRWQMNCBIRW-GENZYMQKSA-N 461.588 1.583 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(C)cc1 1748671252 HZZJUUNMYZGVOF-NSHGMRRFSA-N 461.588 1.845 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccc(Cl)cc1 1748858243 NMCIWKNFZGQTSE-PMACEKPBSA-N 492.001 1.725 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1748962270 DBLSFTRYOHWZHI-RTBURBONSA-N 495.646 1.913 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(N3CCOCC3)CCCCC2)CC1 1748977360 GZZDNGIJKRCMFZ-JOCHJYFZSA-N 474.650 1.792 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1748984118 GIFUQDBBQPPPQO-UHFFFAOYSA-N 451.619 1.735 30 10 JDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1749043547 GJISYYHUHWUWPT-UHFFFAOYSA-N 480.598 1.687 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1749663787 QOHJKXNYTAFVOC-UHFFFAOYSA-N 452.563 1.512 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1749664753 YRNAKPVKTUEKDN-UHFFFAOYSA-N 451.575 1.300 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(=O)OC)CC1 1749666631 ONDVEZQDSLHUPI-UHFFFAOYSA-N 451.487 1.791 30 10 JDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1749670907 WSIFKOJYQJYTLT-OAQYLSRUSA-N 451.575 1.587 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1749676677 YXWQMWBQKWXIOK-SFHVURJKSA-N 464.574 1.560 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2=CCCCC2)C1 1749713787 YMZQDCZAWAEMEG-RTBURBONSA-N 451.593 1.893 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1749741257 VLVXWAJTTZLGJJ-MDPIYQRISA-N 484.619 1.377 30 10 JDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1749752386 PFSSUHROTLOERD-SFHVURJKSA-N 481.648 1.229 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cnccc2OC)c1 1760126419 XZCJTIBJQUVXKP-MRXNPFEDSA-N 497.581 1.396 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCCNC(=O)c1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1760183922 FAOLYAZRZFBABH-IBGZPJMESA-N 494.577 1.493 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760185791 DNPWRYNOXHBUKU-OAQYLSRUSA-N 489.617 1.746 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760187459 DHVLVFNEFGTLNE-AVRDEDQJSA-N 452.540 1.270 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1760190825 UXPPLUZWCGHUAN-NHCUHLMSSA-N 489.617 1.482 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1760341473 DMLMZTDJBMWSQD-CQSZACIVSA-N 450.525 1.094 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccs1)N1CCOCC1 1760464338 FRHNUEUTZBGBJR-SJORKVTESA-N 451.618 1.937 30 10 JDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1760509495 KRJGXBXKLFFHKS-OAHLLOKOSA-N 457.560 1.144 30 10 JDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760516949 YQKZOTXOBXLFHZ-JOCHJYFZSA-N 495.628 1.103 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccccc1C 1760522431 SYIPAXVDUZMPIQ-PMACEKPBSA-N 488.614 1.563 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1760552309 KAOBZWVJLPTSJO-AWEZNQCLSA-N 474.509 1.389 30 10 JDEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1763177739 FTXSFJLMXVIAAM-HOYKHHGWSA-N 468.558 1.885 30 10 JDEE CC[C@@H](C)N(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1763885210 AOIPGFNRVYKKJR-MSOLQXFVSA-N 489.650 1.212 30 10 JDEE C[C@H]1CN(CCN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C[C@@H](C)O1 1771504079 GNYCTXQPIOKLLL-GLDPYIMESA-N 453.591 1.429 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1772660186 VRNAFHTXQLWKRO-QGZVFWFLSA-N 496.611 1.331 30 10 JDEE N#Cc1ccccc1NC(=O)[C@H](CO)NC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 1866832745 NJURONVAADYZCO-YJBOKZPZSA-N 499.574 1.572 30 10 JDEE C=CCN(CC=C)C(=O)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(C)C 1868593801 DQPYBEANITVQBL-OAQYLSRUSA-N 462.616 1.578 30 10 JDEE CC(=O)NCCNC(=O)[C@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869932296 ZLBHSULZJAKIMV-SFHVURJKSA-N 460.581 1.279 30 10 JDEE CN(C)C1CCN(c2nc(NC(=O)c3cccc(C#N)c3)n([C@H]3CCS(=O)(=O)C3)n2)CC1 1870043613 FCHHKYJIQSTBDT-SFHVURJKSA-N 457.560 1.292 30 10 JDEE C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)CC1=O 1870148775 CFQKCNPIUAMBMV-HOCLYGCPSA-N 483.488 1.913 30 10 JDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC(N3CCNC3=O)CC2)[C@@H]1c1ccc(C#N)cc1 1889860241 ROEIUZRACAQRFC-SFTDATJTSA-N 455.584 1.968 30 10 JDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCO[C@@H](C(=O)N3CCOCC3)C2)[C@@H]1c1ccc(C#N)cc1 1892215768 UJGWCKYDODLJOG-HJNYFJLDSA-N 486.594 1.038 30 10 JDEE Cc1cc(C(N)=NO)nc(-n2c(C)nc(I)c2I)n1 2088985770 PGGLZMXSHSPUFT-UHFFFAOYSA-N 484.039 1.583 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)[C@@H](O)C1 2255631308 WSEGBUNKMWNJHI-JSGCOSHPSA-N 453.370 1.542 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2256612801 GKVHQLUIRMISMN-CYBMUJFWSA-N 453.370 1.432 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2267410981 RVLLNYSSJLSVHX-CQSZACIVSA-N 488.437 1.962 30 10 JDEE Cc1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)oc1B1OC(C)(C)C(C)(C)O1 2267529324 YTRRAIMTJZVROD-LSDHHAIUSA-N 450.341 1.987 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)[C@H]1CCOC1 2268700158 JYXLUKRKBSQEKQ-QWHCGFSZSA-N 468.385 1.375 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@](Oc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)(C(N)=O)C1 2269023070 SZFJGTMANRZZMG-NRFANRHFSA-N 451.304 1.764 30 10 JDEE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2281956302 WPVQRAKONJQJEP-GJZGRUSLSA-N 463.388 1.880 30 10 JDEE CCn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H](O)C2)nc1B1OC(C)(C)C(C)(C)O1 2282035877 AVMZTGJANVYNBT-OAHLLOKOSA-N 464.372 1.256 30 10 JDEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282045462 XGRMYPPBKNRJGM-CYBMUJFWSA-N 484.790 1.427 30 10 JDEE Cn1cc(C(=O)NC[C@H]2CO[C@H](CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282547885 STCKQKOTHKRQFR-GJZGRUSLSA-N 464.372 1.379 30 10 JDEE Cc1c(C(=O)N[C@H]2COCC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593376 PUFLIRAYAJZAER-CABCVRRESA-N 464.372 1.440 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(C(N)=O)(N(C)C(=O)OC(C)(C)C)C2)s1 2282659403 KTVHGKVWLHMBLC-UHFFFAOYSA-N 479.408 1.903 30 10 JDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2282841706 XHLBTBPXVVDREH-OAHLLOKOSA-N 488.387 1.631 30 10 JDEE CCn1cc(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(=O)O)nc1B1OC(C)(C)C(C)(C)O1 2284423285 PEEPOBPARBSGRV-SFHVURJKSA-N 456.352 1.517 30 10 JDEE COc1cccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1OC 2327840282 NZPQMYAHTZSELE-AWEZNQCLSA-N 460.560 1.869 30 10 JDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(C)(C)CN(C)C 729672167 AIACRLMZOSRPLS-UHFFFAOYSA-N 466.611 1.175 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 758658857 RHNCIMBVSQYCAP-UHFFFAOYSA-N 488.522 1.423 30 10 JDEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1286356924 OSRCTRGYSWOYNM-UHFFFAOYSA-N 498.975 1.391 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1286386308 YIXYQENACXSAQN-HKARXFIJSA-N 489.573 1.662 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCNC(=O)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1286399003 WERMRIZIWRKVRB-WOJBJXKFSA-N 471.583 1.495 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1N1CCOCC1 1286420502 QHSPOLWCMKZFAC-FQEVSTJZSA-N 484.626 1.545 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H]2COCCO2)CC1 1286474596 MZPPAWDWPNNXPN-KRWDZBQOSA-N 476.375 1.887 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CCCCCC2)CC1 1286485645 SJHQNDNIMKSQQM-UHFFFAOYSA-N 456.591 1.565 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C)c(C)s1 1286758317 JXIJLUNLKVZQST-INIZCTEOSA-N 452.606 1.911 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1286787599 XFGUTUNCDLVRHO-MSOLQXFVSA-N 455.563 1.318 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1286791991 JKQPFBSTKVLLHH-GHTZIAJQSA-N 499.591 1.287 30 10 JDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1286793061 QEIFRNZEVXCGPF-UHFFFAOYSA-N 458.538 1.537 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nnc(C(C)(C)C)s2)C1 1286800740 PXPLMDIYZZUZPY-KGLIPLIRSA-N 469.637 1.867 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(F)(F)Br)C1 1286801246 XLPLXLOPNWYDIY-MNOVXSKESA-N 458.329 1.657 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCNC2=O)CC1 1286832297 JKODAFJPZNFSLZ-HNNXBMFYSA-N 454.622 1.093 30 10 JDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(CS(C)(=O)=O)cc2)n1 1289988177 HWKFXIMVFJEPOX-LJQANCHMSA-N 452.540 1.970 30 10 JDEE CN(C)c1cccnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1298060377 CPEHZIBGTGWCQE-UHFFFAOYSA-N 460.542 1.797 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN(C)C(C)C)CCO1 1299153980 CRVWTVXDOAZMSB-FQEVSTJZSA-N 455.563 1.410 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)nc1 1300310370 MKFXKSALNLQCEC-CRAIPNDOSA-N 469.546 1.587 30 10 JDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1300337332 ZGVKLARNYHSSSB-UHFFFAOYSA-N 457.623 1.698 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(C)cc1)N(C)C 1300464632 GZMSCMHINOQYCN-UXHICEINSA-N 460.604 1.292 30 10 JDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300482069 DELGISSVTLEOJS-QZTJIDSGSA-N 454.593 1.446 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CC[C@@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300488356 RENHTJIBQZRZGM-GOEBONIOSA-N 459.494 1.878 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1300503198 BFTRQPLRELDUHW-MSOLQXFVSA-N 460.556 1.529 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc2c(s1)CCCC2 1300630534 DIGYKUZIMQCRPD-QGZVFWFLSA-N 478.644 1.649 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCCCC1 1300630844 HKPVTBPMLWUEPK-SFHVURJKSA-N 452.625 1.335 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCS(=O)(=O)C1 1301346596 GEJFORXNYWSDRB-FUHWJXTLSA-N 467.617 1.516 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1301499153 YRJOGWNJBQGTSZ-MRXNPFEDSA-N 471.587 1.300 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ccc(OC)c(F)c3)CC2)nnc1[C@]1(OCC)CCOC1 1301518932 KZJSWAGFCRWTDP-DEOSSOPVSA-N 488.564 1.707 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1301586863 JVANPDIGRGNAQB-CQSZACIVSA-N 474.555 1.371 30 10 JDEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1301614962 BRXBCXPGKOJCSR-UHFFFAOYSA-N 455.632 1.928 30 10 JDEE C#C[C@@H]1COCCN1C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1312638404 YAESKPDGEMQADH-HZPDHXFCSA-N 456.362 1.646 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1358959851 QWSHCFVCUJVKCP-OXJNMPFZSA-N 465.963 1.426 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(C)C)cc1 1358979336 JNBJCHUBRAAGMN-NRFANRHFSA-N 471.583 1.519 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCC2)nc1 1358984705 DUBTXSBFZQVISM-SFHVURJKSA-N 455.588 1.395 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(C)CN(C)C1=O 1359018527 SQUIEWOGYKQWTF-JOCHJYFZSA-N 458.950 1.426 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCOCC)CC1 1359042264 YEOQIYTURAPDEW-UHFFFAOYSA-N 488.614 1.198 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCOC2)CC1 1359047063 PPKDMGDXAMNCAS-KRWDZBQOSA-N 470.599 1.662 30 10 JDEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1359086612 CRHRUIRVELJKPV-OAHLLOKOSA-N 489.382 1.580 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359101111 KNRLNCFNSSGVJX-OFNKIYASSA-N 453.591 1.455 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCC(OC)CC2)CC1 1359165375 NISLYZOUTFCWLY-CTWPCTMYSA-N 453.609 1.973 30 10 JDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1359286396 OBCIGQNPZCZOPN-UHFFFAOYSA-N 457.560 1.333 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359302155 YBEHBQBDNHHWJL-UHFFFAOYSA-N 466.995 1.343 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCSCC1 1359331041 LNEJGEZCSYNTEU-UHFFFAOYSA-N 474.612 1.829 30 10 JDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1360295554 GNLSQRYAPSCCLL-GAJHUEQPSA-N 454.531 1.638 30 10 JDEE C=CCn1c(S)nc2cc(C(=O)N3CCCC[C@H]3CCNS(C)(=O)=O)ccc2c1=O 1441811943 AUPMWCVXWLBYGJ-HNNXBMFYSA-N 450.586 1.805 30 10 JDEE CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1463501287 GCLXPTCKURXBLH-UHFFFAOYSA-N 459.553 1.688 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 1464847886 MBJWPGKZRSMQDL-RTBURBONSA-N 455.559 1.974 30 10 JDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C[C@]2(CCCOC2)O1 1494235372 GDWPPLGCZJIZFY-JTSKRJEESA-N 474.587 1.482 30 10 JDEE CN(C)[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1)C1CC1 1503378515 BWROSSPGXZOKGM-SIKLNZKXSA-N 475.594 1.978 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)NC(C)(C)C)c1 1507551776 YZFXSVCJZLNARJ-SFHVURJKSA-N 465.558 1.590 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1507637425 AUVFVYXZZYDAAX-IBGZPJMESA-N 484.582 1.128 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CCN2CCOC[C@H]2C)CC1 1507740200 JYXLKJFWJMSSNC-OAQYLSRUSA-N 480.613 1.586 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C(C)C)N2CCCC2)CC1 1507884927 NUYSRRSJENVZLH-WOJBJXKFSA-N 466.652 1.888 30 10 JDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1507898328 QIYGYZBCPNBCKT-NQIIRXRSSA-N 453.609 1.757 30 10 JDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1508058388 RYXPWLMYIIYBCK-MRXNPFEDSA-N 471.587 1.627 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1508075371 VSQFCNUJOHQWMG-OAHLLOKOSA-N 491.394 1.389 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1508092594 DAHNLWLPVDINEF-HXUWFJFHSA-N 485.564 1.041 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC=CCC2)C1 1508127547 VQIXXSQIUDEYGT-OTWHNJEPSA-N 451.593 1.749 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1508139044 CPQVBYCPAPEPMC-GOSISDBHSA-N 457.560 1.351 30 10 JDEE C#CCO[C@@H](C)C(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)OCc4ccccc4)CC3)[C@@H]2C1 1533632927 CXEDVYNSJZPPAP-WMQCIHAUSA-N 455.511 1.858 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2nnc(C)s2)c1 1539046538 VTCRSHRQWNOPOX-UHFFFAOYSA-N 464.555 1.665 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCN1CCCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539224313 FCWPHFGTPKRMDC-UNMCSNQZSA-N 486.642 1.392 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCN(C)CCOC)CC1 1539481256 JKNPWFHCGKFIHJ-JOCHJYFZSA-N 482.585 1.335 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCC(=O)NC 1539626376 DOBAHUOQDRIDED-IIBYNOLFSA-N 465.558 1.746 30 10 JDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)c1ccccc1 1539766365 RORAZWHAJNZXFL-INIZCTEOSA-N 487.586 1.122 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)S[C@H](C)C1 1540038315 YZPNBDITSICDIW-ZACQAIPSSA-N 459.638 1.534 30 10 JDEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCCS1(=O)=O 1540191116 CYEJJAOGZMQGBP-UHFFFAOYSA-N 473.397 1.710 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1540864730 JDNZIGJDBDEPIP-OPAMFIHVSA-N 456.503 1.930 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1540867241 PKHVILKFYBRLOK-SFHVURJKSA-N 456.547 1.760 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1540877456 VQAUZFXUAALBMN-LJQANCHMSA-N 474.587 1.333 30 10 JDEE CNC(=O)[C@@H]1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)CN1S(=O)(=O)N(C)C 1548380250 UVRPSZHUMHAGRV-KRWDZBQOSA-N 473.521 1.790 30 10 JDEE N#C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1555994378 HQFMNLMGSDFVHS-PBHICJAKSA-N 451.936 1.674 30 10 JDEE C#CCCN1CCC(NC(=O)c2ccc(I)cc2-n2cnnn2)CC1 1586802567 KGHNIKPRUMOGIO-UHFFFAOYSA-N 450.284 1.484 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1588034278 CNTKKYZZLMSAIX-HRCADAONSA-N 498.403 1.202 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 1588069477 OSPHXJOZRQJHFE-IBGZPJMESA-N 477.537 1.548 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1588923636 HEYRVBKIHKSFMM-MRXNPFEDSA-N 468.562 1.614 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2CCN(CCN(C)C)CC2)CC1 1588929516 BYUWZNPPKWPGRS-QHCPKHFHSA-N 485.677 1.412 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(CC)C(=O)C1 1589009153 ZMKQKJKULGSMCI-UHFFFAOYSA-N 461.613 1.774 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCC[C@H](C)C2)CC1 1594097394 SJRBUORRSOCDHN-RBUKOAKNSA-N 452.625 1.499 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2cnccn2)CC1 1595488757 ARTNPNZMSRQNAU-UHFFFAOYSA-N 472.351 1.455 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1595522279 BCVPFSGCBIOMDT-MRXNPFEDSA-N 451.535 1.471 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1csc(C)n1 1595760166 KZPRXUCUAVISLU-XJKSGUPXSA-N 488.661 1.596 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1595824220 YXRPQESTDHRIAC-IBGZPJMESA-N 477.635 1.434 30 10 JDEE CC(C)(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1597203804 DZSPJKYPACKFIK-WMZHIEFXSA-N 489.598 1.530 30 10 JDEE C=CCN1CCC(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)CC1 1632868820 SYDIBUJBANQYOL-UHFFFAOYSA-N 452.552 1.059 30 10 JDEE C#C[C@H](NCC(=O)N(Cc1ccccc1)c1c(O)nc(=O)n(CCCC)c1N)[C@H]1CCCO1 1645351845 OKKSGYLFTDUULB-RBUKOAKNSA-N 453.543 1.635 30 10 JDEE CNS(=O)(=O)[C@@H]1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)C1 1657732527 FNZPAWVIUXQCJG-LJQANCHMSA-N 459.572 1.927 30 10 JDEE COc1ccc(S(=O)(=O)N2CCCN(C[C@@H](O)COc3ccc(CC#N)cc3)CC2)cc1 1657884052 BRWZZYFKHNKDEQ-HXUWFJFHSA-N 459.568 1.898 30 10 JDEE CCS(=O)(=O)N1CCC(CNS(=O)(=O)c2cc(Br)ccc2C#N)CC1 1668511784 CDYLKKBJBQBVNW-UHFFFAOYSA-N 450.380 1.661 30 10 JDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1689901329 JFODROCWPSCGTR-FQEVSTJZSA-N 452.563 1.710 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1689980594 UWWDAWQZYMHFNR-IKQBDLNTSA-N 472.611 1.987 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCN1CCCO 1690013513 RQGAVBRHIAIMDQ-LJQANCHMSA-N 459.554 1.112 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(=O)(=O)CC 1690034410 GZVKEXGRUFNBAS-UHFFFAOYSA-N 476.628 1.444 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1690046011 VEJVIOMCOJNMPK-FHWLQOOXSA-N 452.538 1.038 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(OC)c(OC)c(OC)c1 1690076926 DUSWYGLZNYCIJF-LJQANCHMSA-N 493.586 1.145 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](CC)N2CCCC2)CC1 1690136235 CDGYZHYSVBZBQT-HXUWFJFHSA-N 478.601 1.766 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC(C)(C)O)CC1 1690144346 VXVIGPBQISYGMH-UHFFFAOYSA-N 487.630 1.365 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCN2CCCO)CC1 1690148483 ISGMTLJXQNOYGC-JOCHJYFZSA-N 465.602 1.077 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCS(=O)(=O)CC=C)CC1 1690148867 YCEZAFOJQJHRFI-UHFFFAOYSA-N 469.611 1.744 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(n2cc(Cl)cn2)CC1 1690155328 IUKHWPUCBLEJDY-CQSZACIVSA-N 472.040 1.946 30 10 JDEE C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690336152 VVRSXPDEWKEYMI-LBPRGKRZSA-N 483.729 1.746 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1690644342 FUDWXAFZXGTDHP-QGZVFWFLSA-N 450.521 1.384 30 10 JDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1690669807 PNNWGNCROSRDGX-HZPDHXFCSA-N 462.551 1.208 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1690673396 VCCPDKGLTRPHOH-FQEVSTJZSA-N 472.615 1.484 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)cc1 1690678914 FMESRAUBALQKPD-IMFGXOCKSA-N 488.614 1.558 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)N2CCOCC2)C1 1690712026 LZKDFOLEMUVSJF-ROUUACIJSA-N 460.604 1.772 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](CC)O[C@H](C)C1 1690717925 VMWQMYMEUPZQQQ-AEFFLSMTSA-N 482.628 1.953 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](COc2ccccc2)C1 1690723274 MJJFOFPRBXFVPV-HKUYNNGSSA-N 459.572 1.735 30 10 JDEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1690738411 MCHAPMHJSYAKQI-UHFFFAOYSA-N 474.606 1.984 30 10 JDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CN(CC(C)C)CCO1 1696331296 FHUTYRFVTOSNEO-NRFANRHFSA-N 468.606 1.765 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2Cc2nncn2C)c1 1696619931 ANGYEHXETGCZBH-UHFFFAOYSA-N 455.548 1.112 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705568369 MFZIKIUINRGGGB-KSZLIROESA-N 491.639 1.711 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1705582610 FMAJDGLMRVAHTH-DHIUTWEWSA-N 465.623 1.818 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCC1CC1 1705588979 IJIOLVRYWGETMK-UHFFFAOYSA-N 452.946 1.851 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@]2(C)COCCO2)CC1 1705634765 IMEMDJVAXDMBIE-FQEVSTJZSA-N 463.380 1.607 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)c2cccc(C)c2)CC1 1705639656 TXGWZBOWNGXSTO-UNMCSNQZSA-N 486.642 1.478 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1705704571 WSUQHXHLZRONNR-IRLDBZIGSA-N 469.590 1.206 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705856752 DFWALYVDSMZTJV-UYAOXDASSA-N 488.614 1.712 30 10 JDEE CC(=O)N1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)C1 1705973176 CXVZPDJDNAUIMP-QFIPXVFZSA-N 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C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540910673 LUWFVCLDLDVUPU-INIZCTEOSA-N 499.684 1.738 30 10 JDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1540919343 OBICOSJSJNQFMU-UHFFFAOYSA-N 469.615 1.454 30 10 JDEE CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)C1 1541062244 AZINXOOTXROCLC-HXUWFJFHSA-N 463.546 1.763 30 10 JDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1541364264 DIMGHGFDBWBRJS-IRXDYDNUSA-N 473.607 1.060 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1c(CC)nn(C)c1CC)[C@H]1CCS(=O)(=O)C1 1588049530 HZQIBOHJZABLCI-KRWDZBQOSA-N 470.603 1.212 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588065357 XNJDRXBEDMJITD-RZUBCFFCSA-N 486.642 1.390 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(C)CCCO2)CC1 1588962253 YNTCXVXGDJQEHN-QHCPKHFHSA-N 470.599 1.805 30 10 JDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1589097433 OXJKCKFIXPZHJO-LJQANCHMSA-N 495.696 1.928 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CCOC)[C@H](C)C1 1595490357 QMJPJDHNJXJPFW-CQSZACIVSA-N 466.384 1.495 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1595523114 PVUNSLZPRMZWAK-QGZVFWFLSA-N 450.499 1.713 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1595569728 NSUXJAHWJAMOPQ-UHFFFAOYSA-N 479.629 1.500 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1595766081 LTTRRNGBGLXZTM-GOSISDBHSA-N 484.600 1.186 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1595830711 FUJIZWMPYTXLHE-DLBZAZTESA-N 475.571 1.181 30 10 JDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCS(=O)(=O)CC1CC1 1603682847 GURQELLHMCEKQX-KRWDZBQOSA-N 472.619 1.678 30 10 JDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H](CO)c2ccc(Br)c(F)c2)c1 1611392625 FSFKLIUCGQFUBJ-MRXNPFEDSA-N 456.293 1.588 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn(CCCCC)nc1C 1689852642 IKPJQCXKMCUXLU-YLJYHZDGSA-N 477.635 1.812 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1689978200 OUUWULZTNTVXAH-IBGZPJMESA-N 471.583 1.392 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(C(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1689988675 UHBZDJQJDXFDEL-IBGZPJMESA-N 464.551 1.422 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1689996826 PGDQYLUCAIKMEP-SFHVURJKSA-N 471.587 1.674 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1(C)C 1690019082 AIMCLUDRMFBQPO-SJORKVTESA-N 451.618 1.216 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1690146589 RGEQQZGZLWCQQI-SFTDATJTSA-N 458.607 1.105 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC)[C@H](C)C1 1690433013 QWLKNYOHHRZDBE-QZTJIDSGSA-N 454.641 1.744 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1690661795 HPRDKYUDWNBEHI-KRWDZBQOSA-N 491.438 1.554 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)C)CC1 1690682438 OOHQCKVVFBZJAK-SFHVURJKSA-N 490.630 1.806 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCO[C@@H]2C(C)C)C1 1690699738 IODPZQJMYNJOIY-MXEMCNAFSA-N 497.662 1.844 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1 1690720279 DQTAJAFCDQJNMW-UHFFFAOYSA-N 464.555 1.534 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1690723526 UYLQVUMUUKWWNS-DENIHFKCSA-N 492.690 1.915 30 10 JDEE CCNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1695911466 AVAMYSFBJHIWLZ-SFHVURJKSA-N 482.564 1.729 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)N1CCSCC1 1705480062 QTFWVFURBXMWFP-YLJYHZDGSA-N 471.649 1.155 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1705526083 AQWRJLHNLYJSQY-FQEVSTJZSA-N 498.653 1.895 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1705562364 ATMIHHFZTPEAKU-ZWKOTPCHSA-N 452.964 1.887 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1705570175 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C#CCN(c1nnc(CC2CC2)n1CCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722371702 KXUVVOROCNYXOC-QGZVFWFLSA-N 451.593 1.772 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCCN1C(=O)NC2(CCCC2)C1=O 1722387269 IPSUPILZIVXUHD-UHFFFAOYSA-N 453.547 1.134 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CCCCC1)N(C)C 1722414160 WPPFYRUUNZRJCM-UXHICEINSA-N 466.652 1.581 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)N2CCOCC2)CC1 1722433404 UOOCQFIVDTUEET-UHFFFAOYSA-N 490.450 1.912 30 10 JDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CCNS(=O)(=O)c1ccc(C)s1 1722638978 UUVAHUGHDXVCSM-UHFFFAOYSA-N 464.573 1.976 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1722693186 GCBSMXJEJNBHTM-DOTOQJQBSA-N 460.485 1.906 30 10 JDEE C=CCOc1ccc(Cn2c(Nc3ccn(C)n3)nnc2[C@@H]2CN(S(C)(=O)=O)CCO2)cc1 1722730831 DTHQTVYQEKIIHH-SFHVURJKSA-N 473.559 1.701 30 10 JDEE C=CCSCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722737451 HGWQAYUUFGSSPR-XLIONFOSSA-N 456.620 1.643 30 10 JDEE 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C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1740751242 ZUDRTRMBVFNOBA-QUCCMNQESA-N 494.662 1.746 30 10 JDEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1740821707 JTIXZNQMWFZWIA-GJZGRUSLSA-N 475.999 1.962 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[S@@](=O)C(C)(C)C)CC1 1740825492 OZQYOYQIOSFHCO-HYDGNGQDSA-N 459.638 1.315 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnn(C)c1C 1740953955 WYFAUZCBZNUKQU-UHFFFAOYSA-N 457.560 1.329 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1740990451 VANWLLGXFOWAKD-QGZVFWFLSA-N 493.634 1.973 30 10 JDEE CC(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 1741551664 AAXDBRFXDNPTQY-NRFANRHFSA-N 487.630 1.855 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1748651908 SZAMODNEDDHVRN-SJORKVTESA-N 459.572 1.301 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1748751791 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1749003559 MZARPCIUKWWXIC-CJFMBICVSA-N 472.634 1.769 30 10 JDEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749193975 VSGFPVJUSYFXAE-UHFFFAOYSA-N 453.595 1.238 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1749456772 AJPUFZPGBJGFKS-FQEVSTJZSA-N 470.599 1.971 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1749457760 PUSSJVGXDGWTCS-UWJYYQICSA-N 464.592 1.258 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1749651493 WISRVZTWYICYOA-SUMWQHHRSA-N 484.529 1.047 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H]1CCCO1 1749655711 PXTOKHZGGUKWHR-QGZVFWFLSA-N 462.576 1.113 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)c2nc(C)cs2)C1 1749713411 SUFFTSWSUQDGMD-KBAYOESNSA-N 496.659 1.961 30 10 JDEE C#CCN(c1nnc(CC)n1CCCN1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1760185785 DLDMYYZQTINITA-QFIPXVFZSA-N 470.643 1.680 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1760192646 LKTHAWZUDOJQCP-ZLGIVVLRSA-N 466.604 1.180 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1760193047 RWJXRTRLKSWZEB-KRWDZBQOSA-N 459.503 1.968 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H]1COCCO1 1760197447 XFMXKQDGSGTEKU-LJQANCHMSA-N 457.556 1.074 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1760266935 BNVFLMXEEABLIR-UHFFFAOYSA-N 473.537 1.462 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(OCCN(C)C)c2)CC1 1760270514 YTIDLYUBUZISDO-JOCHJYFZSA-N 480.613 1.737 30 10 JDEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760278112 LJDONBQOTVHYBL-OAHLLOKOSA-N 454.535 1.983 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN(C)CC(F)(F)F 1760289950 UGFAVGDSPSPRAX-RHSMWYFYSA-N 450.531 1.765 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)C1 1760321888 LGRDGOZRUYPBRT-NQEVIQBJSA-N 471.599 1.777 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760342738 MFQOTTZNWOWTNG-JOCHJYFZSA-N 472.571 1.739 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)CCC)CC1 1760357101 DQJIQPULJKSKCA-KRWDZBQOSA-N 453.609 1.658 30 10 JDEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(=O)N2CCOCC2)CC1 1760389842 VMWIZKOWRUHHGQ-LJQANCHMSA-N 490.605 1.992 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1760556058 TZBOGHFMXXKFKS-QZTJIDSGSA-N 463.535 1.547 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760558371 NFFRSALQSPAYAX-QGZVFWFLSA-N 490.586 1.023 30 10 JDEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1764554352 FQARBWUVSWNCOD-UHFFFAOYSA-N 491.556 1.232 30 10 JDEE CCO[C@]1(c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCC(C)(C)O)CCOC1 1765911894 FNWJHRGNDTWVEZ-HSZRJFAPSA-N 455.563 1.684 30 10 JDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC[S@](=O)C(C)(C)C 1768586166 BHGIZBQXVSTYCD-YTTGMZPUSA-N 458.588 1.659 30 10 JDEE N#Cc1ccnc(N2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CC(F)(F)F)CC2)c1 1771533968 HWJVQQXVPSBGDY-CQSZACIVSA-N 455.466 1.336 30 10 JDEE C=CCNC(=O)[C@@H](CCCC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1861748567 WMUTXBMUIIWVFT-GOSISDBHSA-N 457.980 1.952 30 10 JDEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)c1 1862563183 XPUCORDEZMCHKU-HXUWFJFHSA-N 468.466 1.793 30 10 JDEE C=CCn1cc(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)c(=O)cc1CN1CCCCC1 1870429825 QIFGORUZTDMICW-UHFFFAOYSA-N 451.531 1.514 30 10 JDEE C=CCn1cc(OCC(=O)NCCc2ccccc2)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870519513 VCKZPCVQZYKWGP-UHFFFAOYSA-N 488.592 1.884 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)COc3cc(=O)oc4ccccc34)CC2)CC1 1891615611 BJWSUEGUHRITLB-UHFFFAOYSA-N 467.566 1.820 30 10 JDEE N#CC1(c2ccccc2)CCN(C(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1892401166 IAMBAGKNRCOSTC-UHFFFAOYSA-N 496.589 1.521 30 10 JDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CCS(=O)(=O)C1 2206630040 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COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2C[C@H]1CN2C(=O)C(F)(F)F 2281825400 RVCDIETYKSNCDO-UONOGXRCSA-N 454.254 1.982 30 10 JDEE C[C@H](CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2281987072 WEDUFVGMIDATAE-JLCFBVMHSA-N 464.372 1.447 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)n1 2282042015 DXMNRGSZZKZSLC-AWEZNQCLSA-N 464.372 1.821 30 10 JDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C 2282489594 FGCGNXRCFCJBAH-OAHLLOKOSA-N 486.396 1.158 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@H]3CC[C@H]2[C@H]3NC(=O)OC(C)(C)C)n1 2282496999 KHBIAOBYXZYDOV-KBMXLJTQSA-N 482.412 1.396 30 10 JDEE C[C@H]1C[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CN(C(=O)OC(C)(C)C)C1 2282849447 BMAFVNVARWCXJY-GJZGRUSLSA-N 484.428 1.643 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2282882963 TUJGPHPUQOJDEG-YOEHRIQHSA-N 462.352 1.961 30 10 JDEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2282979639 CPFRJGMSWMZXHI-UHFFFAOYSA-N 464.324 1.109 30 10 JDEE CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2289799790 CJVLKEIUGWAKFO-CQSZACIVSA-N 466.344 1.587 30 10 JDEE Cn1c(=O)nc(O)c2c1nc(NN=Cc1cccc(O)c1)n2C[C@@H](O)COc1ccccc1 2327751605 QZQOQYWPWOMMLO-MRXNPFEDSA-N 450.455 1.427 30 10 JDEE Cc1cc(NC(=O)C(CO)(CO)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2344192480 YSCAKQXAIHUQLF-UHFFFAOYSA-N 450.341 1.481 30 10 JDEE COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)Nc3ccc(OC)cc3OC)n2N)c1 20527472 ZXFXPTFQSJQQKI-LSHDLFTRSA-N 473.515 1.900 30 10 JDEE Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1136784891 HODKOQKCOAVVTN-MRXNPFEDSA-N 456.524 1.645 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1286294245 CIRGZCUZFBANNZ-BEFAXECRSA-N 484.586 1.211 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1NC(=O)CC1(C)C 1286296259 NPVGVMIJMCZAMD-YESZJQIVSA-N 460.579 1.959 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@H]2CC(=O)N(CCOC)C2)c1 1286310522 VXTIVCOTWGIZDK-FQEVSTJZSA-N 487.564 1.891 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286391905 FPPJAEVBTGSRKE-CTNGQTDRSA-N 459.591 1.975 30 10 JDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1286423378 SPOJAYMUCSVKBP-DEOSSOPVSA-N 470.595 1.986 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286464024 YOIJGAMONOYQKN-INIZCTEOSA-N 451.980 1.966 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](OC)c2ccc(Cl)cc2)CC1 1286473186 YIWCQXFRISWIEF-VQIMIIECSA-N 481.022 1.685 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](F)COC)CC1 1286491782 BGWXGEYIHCJWDW-MRXNPFEDSA-N 462.551 1.220 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCNC(=O)CC1 1286815631 BZLOESWFBLCMTK-UHFFFAOYSA-N 453.952 1.534 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286817792 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C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1300502093 QVOOSKDFTMILAX-OKZBNKHCSA-N 450.586 1.097 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1300502171 RFQMSIQSNADNFB-BHDDXSALSA-N 472.611 1.742 30 10 JDEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1300504082 JMQAASCGGGUZOU-QZTJIDSGSA-N 473.624 1.784 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@]2(O)CCO[C@@H]2C)n1 1300681607 VNWHUYMOIXQXCO-WZONZLPQSA-N 451.531 1.363 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCOC[C@@H]2C)CC1 1300711214 TVSDLEAHPVTRRO-HKUYNNGSSA-N 458.607 1.835 30 10 JDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1300926165 XKRYLOYTZBLPAM-QGZVFWFLSA-N 458.567 1.893 30 10 JDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301052280 WNKIXBZPTNOTFM-UHFFFAOYSA-N 463.951 1.543 30 10 JDEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)N2CCOCC2)CC1 1301085864 CECNTRPCBYCDRC-GOSISDBHSA-N 476.578 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487.561 1.853 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358961480 ZXCJXKCMGUDPFI-GBESFXJTSA-N 487.630 1.250 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(CS(C)(=O)=O)CC1 1358972007 QBVNJSJZTDRSDV-UHFFFAOYSA-N 460.581 1.246 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCCCC2=O)CC1 1359043894 NCKLMTLSFFHHER-UHFFFAOYSA-N 452.563 1.047 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2COCCO2)CC1 1359047245 XRJRSVDKGXYVCJ-QFIPXVFZSA-N 451.571 1.835 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)NC)CC1 1359051487 YGEJEBPKZUCQPD-UHFFFAOYSA-N 461.613 1.677 30 10 JDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359129576 GJNMOEJJSJYDHU-UHFFFAOYSA-N 463.542 1.337 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1359183804 URAXTBSNCHFTPX-CMKODMSKSA-N 495.694 1.479 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1nncn1C 1359189976 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C=CCN(C(=O)c1cc(S(C)(=O)=O)cc(Br)c1C)[C@@H]1CCS(=O)(=O)C1 1359871268 KQIHMYTZCSJYPD-GFCCVEGCSA-N 450.376 1.976 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@H]1CCCO1 1360684736 DPJQQIDAAHWPJU-OXJNMPFZSA-N 474.587 1.987 30 10 JDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)[C@H]1CCS(=O)(=O)C1 1465059847 ZCYZCVAMIVJZFM-SFHVURJKSA-N 453.586 1.761 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)OCC)[C@H](O)c2ccncc2)ccc1F 1470812932 KWUAFKLADRMROR-QZTJIDSGSA-N 451.476 1.080 30 10 JDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(C)[C@H]2CCN(S(C)(=O)=O)C2)cc1 1473496346 CVZUVDMROQDMMU-SFHVURJKSA-N 459.572 1.879 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CC1 1478582874 ZSSGANCRFUWIOW-HXUWFJFHSA-N 458.534 1.014 30 10 JDEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC)CC1 1501769362 DKKSIPDXRFMULQ-UHFFFAOYSA-N 466.590 1.333 30 10 JDEE CN(C[C@H]1CCCOC1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1503550070 DEQTZNMWRGSWQP-LJQANCHMSA-N 454.531 1.450 30 10 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496.637 1.965 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCCNC(=O)OC(C)(C)C)CC1 1507719421 NNXPTCVWRNTSAG-DEOSSOPVSA-N 476.622 1.990 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1507809492 WNKCQSXQUCXVDN-PXCRPINLSA-N 497.662 1.891 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOCC2CC2)CC1 1507904594 YZECKSJNYAFYJJ-LJQANCHMSA-N 453.609 1.830 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)C1CC1 1507994319 ZLCROGDRGOMUSW-GGPKGHCWSA-N 496.678 1.654 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(N3CCCC3)CCOCC2)C1 1508108220 FQRXAYXJTCSHPM-MOPGFXCFSA-N 482.651 1.315 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)C1 1508184771 CQDBKPZRQMWROF-WIYYLYMNSA-N 451.575 1.842 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCN(C)C)cc1 1508420766 ARGOYKXEASKIBY-PKOBYXMFSA-N 460.604 1.765 30 10 JDEE 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C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)c1ccccn1)[C@@H]1CCS(=O)(=O)C1 1588034265 CFVTUPXJHCWBQL-DVECYGJZSA-N 487.626 1.930 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588045729 PNFJSYBUHWHURF-SLFFLAALSA-N 486.642 1.855 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(C)c(OC)c2)CC1 1588741941 LHVILPUONKOKDH-GOSISDBHSA-N 460.604 1.203 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC(=O)NCc2ccco2)CC1 1588946301 BCSAEYSKDZORAG-UHFFFAOYSA-N 490.564 1.753 30 10 JDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1589089980 ZNJWUAMNPYBWNC-QGZVFWFLSA-N 451.560 1.162 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1594097287 PVQZLYXRYIDFJR-QGZVFWFLSA-N 484.623 1.634 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1594192492 JLGCERGGNXZYMR-QGZVFWFLSA-N 490.630 1.806 30 10 JDEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCS(C)(=O)=O)CC1 1594203106 YNPJFRBZSRVPKI-UHFFFAOYSA-N 467.617 1.642 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(F)(F)F)C1 1594497372 GHIXUDVDBKCHKT-CABCVRRESA-N 481.541 1.981 30 10 JDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CN(C(=O)OC(C)(C)C)C1 1595178462 KIAIHURXFCKABL-HNNXBMFYSA-N 454.597 1.934 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1595260332 IHWOBZKMCLGZLE-HXUWFJFHSA-N 486.554 1.952 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1595497165 RWEADXBSULSDOP-AUSIDOKSSA-N 495.628 1.635 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1595561791 BYXGKWXTQKWSER-SFHVURJKSA-N 471.562 1.296 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)NC)CC1 1595649528 QWQLHISYHZDNIB-UHFFFAOYSA-N 476.541 2.000 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@@H](C)C1 1595658859 LSCFDGQTUNOLGZ-ICSRJNTNSA-N 454.575 1.999 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F 1622940241 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1690299248 KLZNTFIGYHCJCV-SFHVURJKSA-N 468.624 1.215 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC(C)(C)CN1CCOCC1 1690665463 FASVZDVALKPQKY-UHFFFAOYSA-N 470.574 1.771 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)S[C@@H](C)C1 1690668686 FDLGCBHOQVULTH-GJZGRUSLSA-N 453.572 1.824 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC1CC1)C1CCCCC1 1690671159 PUZQJTNJTUHPAO-IBGZPJMESA-N 480.635 1.462 30 10 JDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCCN(S(C)(=O)=O)CC1 1690683791 VRMLYIOWHWYLIG-UHFFFAOYSA-N 488.614 1.485 30 10 JDEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@]1(O)CCS(=O)(=O)C1 1697275767 CXDWYGDKFZCJQH-DJJJIMSYSA-N 453.952 1.895 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCCN1CCCCCC1=O)[C@H]1CCS(=O)(=O)C1 1705565588 HUTHHINEMKATFR-SFHVURJKSA-N 471.587 1.155 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1705569584 IKJMYZHRUIWPBN-MAUKXSAKSA-N 478.644 1.565 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1705569639 FLTZTMGCTAQVSD-NZQKXSOJSA-N 460.600 1.592 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1705571167 XJPRSNFXVBCRIM-SJLPKXTDSA-N 460.535 1.128 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1705581341 ZAYJULLVFZASLJ-FQEVSTJZSA-N 473.581 1.859 30 10 JDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)COC)CC1 1705725709 NZGGBUDWDGRSFA-KRWDZBQOSA-N 464.567 1.458 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1705730269 GLBQOBHEJAEYHB-IBGZPJMESA-N 488.614 1.599 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2CN2CC[C@H](O)C2)CC1 1705763065 NWGRGKHQRNMBPJ-RXVVDRJESA-N 474.631 1.660 30 10 JDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705831598 XLLFJZKTNZXURT-UHFFFAOYSA-N 455.563 1.431 30 10 JDEE C=CCn1c(-c2cccnc2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1705888934 LORDCQMHTWKQKW-IKGGRYGDSA-N 460.560 1.653 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)CN2CCOCC2)C1 1705914133 HILFCHWPRGJQPV-MOPGFXCFSA-N 455.563 1.675 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H](C)N(C)C1CC1 1706886940 GBUSISUAWJRQCM-QZTJIDSGSA-N 486.646 1.569 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCC(N4CCCC4=O)CC3)n2CC(=O)NCC(F)F)cc1 1712879483 BSULDLLVAGKRCV-UHFFFAOYSA-N 457.485 1.789 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(CS(C)(=O)=O)c1 1722282995 GNCBLNXDYDEULD-INIZCTEOSA-N 452.540 1.976 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1722331972 BKJZPXSPAVKMOP-PMACEKPBSA-N 477.562 1.741 30 10 JDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722340537 YUXOKMKQRCJNQR-IBGZPJMESA-N 452.515 1.752 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(NC(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1722360971 KKZCVWWXNZKJBJ-QGZVFWFLSA-N 453.528 1.439 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1722369838 AUGPSJVOTONGRG-UHFFFAOYSA-N 460.582 1.844 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1722370315 BINNMNGCPVOCCK-AUSIDOKSSA-N 474.583 1.332 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)C(=O)NCC 1722374750 DPKFZZAFEMTTOM-UHFFFAOYSA-N 470.599 1.431 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722423865 RNZPUWDHZIUFMZ-GOSISDBHSA-N 468.583 1.861 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](OC)C(F)(F)F 1722476105 YTBMANNLCLMFQF-HDMKZQKVSA-N 479.525 1.571 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722493408 YCDOODQVABNIPD-SCTDSRPQSA-N 489.602 1.425 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1722536608 GEGDIYKGFZBLKQ-RBUKOAKNSA-N 463.608 1.823 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2nccs2)C1 1722616815 CXROHPCCJKTAKG-CVEARBPZSA-N 468.605 1.612 30 10 JDEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722620527 OCOKPQSOXFTTPK-SJORKVTESA-N 473.578 1.463 30 10 JDEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCCS1(=O)=O 1722664887 BNMWHRCUQJQUGY-UHFFFAOYSA-N 493.659 1.761 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1722695967 WNVXQLWVBDZVTM-SJORKVTESA-N 450.551 1.142 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1S(=O)(=O)N(C)C 1722866929 DJZJHJJZBZCRPG-DOTOQJQBSA-N 480.616 1.075 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(COc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722868644 CRMCBXCGSCTJPO-HOTGVXAUSA-N 450.540 1.874 30 10 JDEE CC(C)(C)NC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1722973859 DGZXKMAFQGDXEB-HXUWFJFHSA-N 483.573 1.774 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)N(C)C)c1 1723778006 CODTZUNWPOGLCD-VQIMIIECSA-N 458.588 1.863 30 10 JDEE Cc1cnn(C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCS(=O)(=O)NC(C)C)CCO2)c1 1724958672 FPWORUIZCQJRGL-OAQYLSRUSA-N 498.613 1.555 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2cc(C)oc2C)CCO1 1729679734 BQCLZSVEFZMDIA-RDPSFJRHSA-N 464.526 1.886 30 10 JDEE CS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CC1 1731013620 BHYCRTPBANMYEP-KRWDZBQOSA-N 460.560 1.283 30 10 JDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1740578742 FQHAVNBWMHHGTG-UHFFFAOYSA-N 458.588 1.649 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740627332 ZZEUMJYVFIWILN-IBGZPJMESA-N 488.614 1.758 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(C)C(C)(C)C1 1740679076 YNNLPFNPAPAJSA-UHFFFAOYSA-N 454.579 1.037 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC2(OCCOC)CCOCC2)CC1 1740706643 YVTFFUCDFVCVHW-OAQYLSRUSA-N 489.617 1.698 30 10 JDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740713630 JJVFLFSNARKJCS-UHFFFAOYSA-N 465.583 1.356 30 10 JDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740813345 DIJJYAXBTZPIPF-AWEZNQCLSA-N 473.024 1.788 30 10 JDEE 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464.544 1.244 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccc(NC(C)=O)nc1)[C@H]1CCS(=O)(=O)C1 1705561738 SWGOYMPYACWCJE-FQEVSTJZSA-N 494.577 1.982 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1705563265 UEMCNLUIDGNMSV-INIZCTEOSA-N 479.965 1.891 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC(=O)NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 1705568510 OUJNMMKNCDJOGP-LJQANCHMSA-N 497.577 1.702 30 10 JDEE C#CCN(c1nnc(COCC)n1CCc1cnc2c(Cl)cnn2c1)[C@H]1CCS(=O)(=O)C1 1705571686 FWZZVRQMJVMXJM-INIZCTEOSA-N 477.978 1.380 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1705626238 NSSYXYXGYJHUFS-UHFFFAOYSA-N 459.554 1.775 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CCC(C)(C)C)CC1 1705653845 QZSGXLLUNMPWQJ-KRWDZBQOSA-N 456.682 1.813 30 10 JDEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1705748652 VKKSTSPXGJKRLC-UHFFFAOYSA-N 454.362 1.631 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc2n1CCC2 1705859350 PMYYKOFXGRDDEB-INIZCTEOSA-N 456.576 1.667 30 10 JDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1705886273 HUVXSKAHJJRPAS-GJZGRUSLSA-N 454.622 1.990 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1705896579 RFZRROYBMSHZOK-LJQANCHMSA-N 483.598 1.997 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2cccc(C(=O)NC)c2)C1 1705914352 MHMNJFOITXDBLK-HXUWFJFHSA-N 452.559 1.898 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1705930573 QHOUYJKGZAPMGF-MRXNPFEDSA-N 457.597 1.732 30 10 JDEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CC2(O)CCS(=O)(=O)CC2)cc1OC 1711748916 CASJVVKXIMCELR-UHFFFAOYSA-N 475.571 1.642 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 1722358292 FULLTIRIQZXNRX-HXUWFJFHSA-N 471.583 1.336 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1722361270 YNGXOPWSQKRTMY-RXVVDRJESA-N 457.581 1.311 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722370617 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C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC(=O)NC)CC1 1740702310 LBBGLRXHRZHUSY-MRXNPFEDSA-N 456.522 1.659 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCc2cnn(C)c2)CC1 1740708118 CIGUTRWUOGGVTB-UHFFFAOYSA-N 463.590 1.472 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1740715063 CIVSZRKMVKNXPC-UHFFFAOYSA-N 455.510 1.940 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1740717118 KGNIYYZSSXFONY-GOSISDBHSA-N 490.655 1.667 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCc2nccn2C1 1740774623 WOWSYXBRZREWJS-ROUUACIJSA-N 463.608 1.473 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 1740818486 KZSRBDFCBCAYRS-CTNGQTDRSA-N 474.631 1.946 30 10 JDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1740930630 WKONMEPYKWUAED-INIZCTEOSA-N 454.556 1.805 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(N2CCCC2=O)CC1 1740954035 ZRBSYWZEWOAQML-UHFFFAOYSA-N 476.379 1.929 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(Cn2ccnc2)c1 1741925343 HLAUHKUXWUVSHH-KKSFZXQISA-N 472.550 1.623 30 10 JDEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1746034937 GYTWSFNQFNYXSO-SFHVURJKSA-N 487.630 1.935 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1748672553 VBUDYTUARMFDRD-WMZOPIPTSA-N 461.563 1.662 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748815560 RCKIRZSGZMDPGZ-YWNPBTLJSA-N 476.647 1.366 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1csc([C@H](C)OC)n1 1748864188 SPARQTDBTSRIBO-CABCVRRESA-N 450.590 1.563 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCNS(=O)(=O)CC)CC1 1749010269 KAUVYVGCOUZDCC-UHFFFAOYSA-N 458.588 1.240 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1749127805 PMVQXYKQGKUAGS-XLIONFOSSA-N 477.635 1.910 30 10 JDEE C=CCCCCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749409424 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C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)[C@H](C)[C@@H]1NC(=O)C(F)(F)F 2281971015 TVEYKAYHMIPZPR-LALPHHSUSA-N 458.290 1.637 30 10 JDEE C[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@H]1CCN(Cc2ccccc2)C1 2282289784 IEWHHDYPMFQGLB-AEFFLSMTSA-N 475.424 1.303 30 10 JDEE Cc1c(C(=O)N2C[C@@H](C)C[C@H](NC(=O)C(F)(F)F)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554085 YIPLHZVOBZUFMB-AAEUAGOBSA-N 458.290 1.557 30 10 JDEE Cc1ccnc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2282571333 SFDIHYLDSQMQGD-HOTGVXAUSA-N 461.368 1.647 30 10 JDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@]1(CNC(=O)OC(C)(C)C)CCOC1 2282615386 OQAZAFDQVWJHNV-QFIPXVFZSA-N 464.372 1.475 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C(F)F 2282683408 CRMWZHBRJMMMJI-HOTGVXAUSA-N 461.322 1.610 30 10 JDEE CC1(C)OB(c2ccc(O)c(C(=O)NC[C@H]3CNCCN3Cc3ccccc3)c2)OC1(C)C 2282970816 UIBXWESUKRFXLF-HXUWFJFHSA-N 451.376 1.895 30 10 JDEE 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C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1286384797 SIKZRLBUIJLVEG-MOPGFXCFSA-N 492.623 1.544 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCCn1cnnn1)[C@H]1CCS(=O)(=O)C1 1286387276 CBWYUHLRRUWBRI-HNNXBMFYSA-N 495.396 1.955 30 10 JDEE C#CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC=C(C)C)[C@@H]1CCS(=O)(=O)C1 1286388676 UJHFJAPFZCFKLC-HXUWFJFHSA-N 466.571 1.904 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)C1(OC)CCOCC1 1286430905 KVTUXEUUXUYVAZ-KRWDZBQOSA-N 470.542 1.474 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cnccc2OC)CC1 1286480347 LUAMNSOFHARBLL-HXUWFJFHSA-N 497.600 1.794 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@H](C)c2ccccc2)CC1 1286481178 SMOASEUNBJQEIP-IRLDBZIGSA-N 486.642 1.560 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)c2ccsc2)CC1 1286490085 GVWVCWBDDSPLDQ-JTSKRJEESA-N 456.572 1.164 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCC(C)CC2)CC1 1286491745 ACKJZYSWBRACNM-UHFFFAOYSA-N 497.669 1.967 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286497089 ZTQSMSMTDGWNJS-QGZVFWFLSA-N 469.571 1.119 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](CC(C)C)N(C)C)CC1 1286646845 WHVDNYXPQIIQBK-MOPGFXCFSA-N 454.641 1.744 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ncccn2)CC1 1286689136 XECYYZBFPPBGGH-SFHVURJKSA-N 476.607 1.084 30 10 JDEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286693335 ZRAYTAALPFSXCW-CQSZACIVSA-N 462.352 1.159 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1286882258 FPSFRHPHNHAROT-UHFFFAOYSA-N 474.587 1.611 30 10 JDEE COC(=O)N1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(N)=O)CC2)CC1 1299422153 AYFRWTAFJWJMHD-UHFFFAOYSA-N 451.531 1.997 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cn2)c1 1300334242 JCBYSNGVUBVEIC-QGZVFWFLSA-N 482.541 1.819 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)CC)c1 1300335024 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C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1301497206 RRWIGFPQWSLDSC-UHFFFAOYSA-N 460.546 1.191 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)O[C@]3(CCOC3)C2)cc1 1301518614 LJQIXKJLTUAYOE-IUKKYPGJSA-N 491.614 1.886 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CCOC)[C@@H](C)C2)cc1 1301527557 YTDYZIVHDXHCSD-RXVVDRJESA-N 454.575 1.999 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1301586590 UPHMZHSUEZZAAA-UHFFFAOYSA-N 478.663 1.671 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1301587022 QPWKQBGOMVSCCF-UHFFFAOYSA-N 461.563 1.933 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](COC)C1 1301589664 WBELUSXEJIZOAG-ZWKOTPCHSA-N 499.634 1.660 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC)[C@@H](C)C1 1301593320 LVRVPYVTIVOPMJ-INIZCTEOSA-N 466.633 1.401 30 10 JDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)N(C)C 1303694871 GQXZMVZRHBPUHS-IEBWSBKVSA-N 459.620 1.875 30 10 JDEE COc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)ccc1C 1315315361 DYGANFFHFRWWLL-GHTZIAJQSA-N 478.550 1.418 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2ncccc2c1 1358891116 ZNWBJYJCMUQMMF-JXFKEZNVSA-N 454.556 1.665 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358955508 NDXMBCHVOGQPPO-GBESFXJTSA-N 451.637 1.916 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1358958176 JCMXAQRTGJGBJD-FDDCHVKYSA-N 490.582 1.395 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1358960933 OPNUEDFACHZXSV-MRXNPFEDSA-N 478.500 1.965 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(C)cc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1358963351 GMYBZODHMKRGNL-UXHICEINSA-N 490.651 1.780 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOc1ncccc1Cl)[C@H]1CCS(=O)(=O)C1 1358967656 PHEBLJAWIKRQNW-DOTOQJQBSA-N 465.963 1.884 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)OC 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CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)cc2)CC1 1638587973 VOGYIJMLYZLYHM-UHFFFAOYSA-N 458.515 1.721 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 1640202294 XDAIBQVWDINYQT-UHFFFAOYSA-N 451.367 1.997 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 1665969413 MUPHOPRUDYXTLZ-UHFFFAOYSA-N 457.560 1.761 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC 1667021560 QJBMQPGKWQUWQG-UHFFFAOYSA-N 459.590 1.982 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689986216 LBXJBWIKDPRSLO-GOSISDBHSA-N 456.572 1.369 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1689989002 AECCXMYOYJNWLU-OALUTQOASA-N 462.597 1.164 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCOCCS(C)(=O)=O 1690043559 FKWIJISHUXYENX-UHFFFAOYSA-N 468.539 1.118 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCOCC1 1690103617 FBGMDASUDQOIDX-IBGZPJMESA-N 493.605 1.604 30 10 JDEE 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C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCO[C@@H](C)C1 1749730380 BPUZCKXEJADABB-HNNXBMFYSA-N 458.544 1.810 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1749738410 MGXUSFDBLGQFPA-RTBURBONSA-N 464.592 1.125 30 10 JDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)CC1=O 1749873225 CTJIHUPEUKXMDH-UHFFFAOYSA-N 467.574 1.223 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCN(C)C(C)C 1750966295 FVMVNJHPNRYLFI-SFHVURJKSA-N 468.610 1.523 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2nc(C)cs2)CC1 1760155487 ZLQQDVIKWXPLBB-QGZVFWFLSA-N 479.632 1.116 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1760184824 MJPQBUGFWZLFAJ-KRWDZBQOSA-N 487.582 1.115 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(C)(C)CN(C)C)CC1 1760259415 AYXJKJRQJKGGOG-UHFFFAOYSA-N 462.602 1.535 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCOCC(F)(F)C(F)F 1760288845 KSAFSGLGGKBOHO-BLLLJJGKSA-N 455.478 1.797 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760312904 GLITUYDSQCPWBM-NQIIRXRSSA-N 482.589 1.117 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC(C)C)CC1 1760322076 NMEVAUFLAXYHEW-JBACZVJFSA-N 497.662 1.986 30 10 JDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](C)C1 1760355232 BWOXWUWIJFARCM-LJQANCHMSA-N 481.601 1.942 30 10 JDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1760357097 DPFIWIQUOMJXSV-KRWDZBQOSA-N 482.632 1.651 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)o1 1760357929 PKZLDBZWSLNIEK-SFHVURJKSA-N 453.565 1.742 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1760365615 CSRRIAVVYMSSOV-HNNXBMFYSA-N 463.004 1.946 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1760450602 ODRDYKDOXJXOGP-ZWKOTPCHSA-N 467.636 1.904 30 10 JDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccs1)N1CCOCC1 1760464337 FRHNUEUTZBGBJR-IRXDYDNUSA-N 451.618 1.937 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1760510183 JETOVOZEJKAMSP-BZSNNMDCSA-N 498.650 1.927 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(C)C)C(=O)C1 1760552801 AZLSGUUDVZGGNX-UHFFFAOYSA-N 489.598 1.622 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CC1(S(C)(=O)=O)CC1 1763038987 HZQFXZGPNWHAOS-OAHLLOKOSA-N 458.592 1.530 30 10 JDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1C 1767132065 HFQFXRQMNMBDRP-UYAOXDASSA-N 487.630 1.541 30 10 JDEE COc1cc(Cl)ccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1768327372 GICPWGOLTSPHKI-MOPGFXCFSA-N 469.926 1.599 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOc2ncccc2Cl)CCO1 1769257917 CUMLIXIWTGCCCR-LJQANCHMSA-N 497.943 1.807 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CC(=O)NCC(F)(F)F 1769819102 HVQXGTZWBSBQAL-UHFFFAOYSA-N 474.447 1.938 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2C[C@H](N2CCOCC2)C(F)(F)F)c1 1770745645 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C=CCn1c(=O)[nH]c(O)c(C2=NN(C(=O)CC)[C@H](c3ccc(OC)c(OC)c3OC)C2)c1=O 101764750 JQYGHBIBWLZJOJ-AWEZNQCLSA-N 458.471 1.542 30 10 JDEE COc1ccc(C(C)=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@H](O)COC(C)C)cc1 254898522 UFVGDHVSQWVJMR-INIZCTEOSA-N 458.519 1.064 30 10 JDEE COCCn1cc(N2C[C@H](C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)CC2=O)cn1 1127243323 FAEXOVLLRTUVBV-PGYGNJIDSA-N 452.515 1.655 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)NC2(c3ncc(OC)c(O)n3)CCCC2)ccc1F 1157253035 TWYLTGIVBWHCMA-UHFFFAOYSA-N 450.492 1.994 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-n1cccn1 1286296047 MBYCAJNCRZYBBB-YLJYHZDGSA-N 469.571 1.303 30 10 JDEE C#CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1286390721 BLYSLNYPOGMAHI-QZTJIDSGSA-N 479.603 1.623 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286394234 OBPWDLQFKDZGKA-UFYCRDLUSA-N 465.664 1.993 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H](C)N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1286394346 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C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](Cn2cccn2)C1 1286781136 VAFLXRTWJJKMBC-QZTJIDSGSA-N 469.521 1.961 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](OC)[C@H](OC)C1 1286782474 VZXSZQMZFWDAPC-TXEJJXNPSA-N 456.366 1.921 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286784255 BRDSMWRDWGTLMM-UHFFFAOYSA-N 453.591 1.546 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1286792888 KTYGUIOGOFKLAS-GAJHUEQPSA-N 478.594 1.583 30 10 JDEE CCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1296059071 AFKQKBVKLUYUMJ-QFIPXVFZSA-N 464.618 1.948 30 10 JDEE CCO[C@]1(c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCC(=O)N[C@@H](C)CC)CCOC1 1296649261 GQMMNLKHBQJRMT-UQBPGWFLSA-N 496.616 1.828 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)c(F)c1F 1300310607 NWKGXZKNJRIQQD-XJKSGUPXSA-N 471.505 1.729 30 10 JDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCOCC2)nc1 1300471486 DKNQQLGTNBADKI-UHFFFAOYSA-N 451.556 1.619 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1CC1CCN(CCN(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1300492037 LBXYHROAVQPCCM-OAQYLSRUSA-N 462.664 1.446 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(COCC)cc1)[C@H]1CCS(=O)(=O)C1 1300495170 DYDUVFVATZAKJU-SFTDATJTSA-N 458.584 1.994 30 10 JDEE C#CCN(c1nnc(CC)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1)[C@H]1CCS(=O)(=O)C1 1300499471 SHDHYYVZHJVEGD-UGKGYDQZSA-N 471.627 1.736 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300869377 LRYXPFVNVCDKIZ-HKBOAZHASA-N 492.621 1.558 30 10 JDEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1300971818 BEBPEXFCHPPSCH-GOSISDBHSA-N 473.965 1.668 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCCC2)C1 1301257688 CSEQVDVMLMJMMJ-IBGZPJMESA-N 483.635 1.743 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1301478697 OGEGQHMGZQIWNQ-IRXDYDNUSA-N 454.487 1.564 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1301587408 ZHNBCJJXFYJGCO-IBGZPJMESA-N 486.598 1.101 30 10 JDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)CCO1 1315949199 AQMHQDKDDARATM-AYLZSAKASA-N 459.572 1.882 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358963183 DCSMIDJYSDUWSI-RTBURBONSA-N 451.637 1.462 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCCN1CCCC)[C@@H]1CCS(=O)(=O)C1 1358966376 NORZPCMMJIDBJW-LEWJYISDSA-N 490.674 1.682 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2nc(C)cs2)CC1 1359028948 KGDNUZIJQUZDCZ-ZBFHGGJFSA-N 451.622 1.212 30 10 JDEE C#CCSCCn1c(N2CCC(NC(=O)c3cc(C)on3)CC2)nnc1[C@]1(OCC)CCOC1 1359061730 KXAZRCDBWWHKPJ-QHCPKHFHSA-N 488.614 1.992 30 10 JDEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1359224199 JIUNREIZSCYCPC-UHFFFAOYSA-N 454.575 1.519 30 10 JDEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(=O)N(C)C[C@H]1C 1359227163 VCLAUIXHJSOTBW-GOSISDBHSA-N 454.579 1.712 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCC[C@H]1C 1359277322 IXTHQJNJKVPLHJ-RLLQIKCJSA-N 479.603 1.864 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1359300203 WITHGBUOZUXNDF-HXUWFJFHSA-N 467.574 1.583 30 10 JDEE C=CCS(=O)(=O)CCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1C(=O)N1CCCC1 1359335362 JJMNREBJVKINLL-AWEZNQCLSA-N 455.491 1.635 30 10 JDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 1449313589 UYEIVEPYQDOBFQ-LSTHTHJFSA-N 452.573 1.786 30 10 JDEE Cc1nn(C)c(N2CCN(C(=O)c3ccc(Br)cc3-n3cncn3)CC2)c1C#N 1459031770 HDZYBDRVMCJDFT-UHFFFAOYSA-N 455.320 1.906 30 10 JDEE C#CCNS(=O)(=O)N1CCN(Cc2nc(N(C)C)n(-c3ccc(C)cc3)c2Cl)CC1 1474682406 XKRFGIRIEYPUCE-UHFFFAOYSA-N 450.996 1.485 30 10 JDEE CCC[C@H](C)C(=O)NCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1499999338 AXEYMLKGNNJHIV-JKSUJKDBSA-N 459.576 1.551 30 10 JDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCCCC2=O)c1 1505120760 AOYRONDKXFDHLT-LJQANCHMSA-N 486.598 1.870 30 10 JDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507605485 UZZHTTYFYZRFDE-IPJJNNNSSA-N 465.620 1.592 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccccc2c1OC 1507615855 BXFNLYNKYHSPCU-GOSISDBHSA-N 459.528 1.484 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507631032 KUEMFSOXCVMTKD-QGZVFWFLSA-N 464.617 1.218 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(C)CN(C)C1=O 1507642025 NYMXRAWUNOIONH-JOCHJYFZSA-N 453.572 1.098 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCNC(=O)c1cc[nH]n1 1507665985 ZSDZHWPWHSHPDP-UHFFFAOYSA-N 453.510 1.747 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2nncn2C)CC1 1507721078 LNFTWRCLFKNKSQ-UHFFFAOYSA-N 450.547 1.673 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C)c2)CC1 1507736832 UFAIIVBRBMYZSC-KRWDZBQOSA-N 458.588 1.211 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(OC(F)F)c1 1507773371 QUIISNAKTBPUIF-IIBYNOLFSA-N 496.540 1.648 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1507797717 MIRWLMALRNBDCQ-HKBOAZHASA-N 497.662 1.640 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccn(C)n1 1508003260 WFZOJAKNSZPEBP-NRFANRHFSA-N 485.614 1.780 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COc2ccccc21 1508039463 OHJRGOWCLPFNKU-XLIONFOSSA-N 477.587 1.426 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccccc2CO)CC1 1508059137 LYLXIMJKACTORG-HXUWFJFHSA-N 461.588 1.673 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1508075266 XAHVNEYTZZFHFO-IBGZPJMESA-N 490.630 1.749 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1508081938 QQOSPXXBSISIRV-UHFFFAOYSA-N 475.553 1.890 30 10 JDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1508095147 LWMNSPNCQMTFKP-IBGZPJMESA-N 499.641 1.691 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCOC[C@@H]2C)C1 1508117060 LWHKIPQPWYPVHZ-ICSRJNTNSA-N 475.615 1.851 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 1508148610 JMAXQWXQBPHNAC-ZOCZFRKYSA-N 453.609 1.499 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)ccc1F 1521544823 CNBOSIXAFPWOFS-UHFFFAOYSA-N 453.517 1.864 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC2(N3CCOCC3)CC2)c1 1539038524 QSCHGCOGXSIHOH-UHFFFAOYSA-N 479.585 1.337 30 10 JDEE C=CCNc1ncc(C(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)s1 1539121852 MZFOLUBMMWMADZ-UHFFFAOYSA-N 452.558 1.905 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1539213065 VFTIQIKZUWSXRA-UWJYYQICSA-N 452.584 1.926 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539230915 RLRSWQHPWAKMFN-RDPSFJRHSA-N 485.610 1.325 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN1CCCO 1539371107 NVODFDZPECTZLO-PMACEKPBSA-N 476.622 1.893 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCNC(=O)c2cccc(O)c2)CC1 1539481621 MSCHRTCNBWWDHO-HXUWFJFHSA-N 480.569 1.274 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539645086 QIGPIVNILCMKRF-QPPBQGQZSA-N 484.649 1.768 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1540868163 UMSGQVHARBOVHG-UHFFFAOYSA-N 481.601 1.390 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1540902507 LEMIDHIKGUDXED-JBACZVJFSA-N 494.662 1.109 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1540906793 BQLHKJJWTLFXQD-GOSISDBHSA-N 475.571 1.314 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ncccn2)CC1 1540908113 CDWGEZPKHLPVHX-RTBURBONSA-N 489.646 1.914 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)CC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CC1 1542894507 ABZRINVTQUQMBY-GOSISDBHSA-N 450.580 1.422 30 10 JDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)CN2CCOCC2)CC1 1554497905 HUVVZAFFVGFFBD-LJQANCHMSA-N 482.589 1.158 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1587562033 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492.646 1.540 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1 1690152292 GAOIDCKSFLPTKI-UHFFFAOYSA-N 475.553 1.221 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCN(CCC)C2)CC1 1690152425 KNHZCFYQGPUZBO-NRFANRHFSA-N 466.634 1.837 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1690174789 KFHQIOZUHNGNPG-UXHICEINSA-N 471.608 1.996 30 10 JDEE C#CCSCCn1c(N2CCO[C@H](Cn3cc(C)cn3)C2)nnc1[C@]1(OCC)CCOC1 1690186427 PVVCOTDOJVMNMR-UGKGYDQZSA-N 460.604 1.707 30 10 JDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(OCC(N)=O)CC1 1690227023 SYJIXFNBWPZFKK-UHFFFAOYSA-N 467.324 1.385 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COCC)C1 1690245425 IDTXZCMWCXJHMC-CGXNFDGLSA-N 497.662 1.845 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)N(C)C)c1 1690266086 ZXJCMYLITPUQKD-HXUWFJFHSA-N 490.630 1.764 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1690527946 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C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(N(C)C)cc1 1722295151 JIKXZNXYOGXNOA-FXAWDEMLSA-N 460.604 1.378 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCC(=O)N1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1722363216 ZINPUDSKUSHQSE-LJQANCHMSA-N 472.615 1.703 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OCC)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1722371484 WUMKGVJSIKGJKC-IBGZPJMESA-N 484.582 1.664 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1722372092 OYSMALVNUNMILP-DLBZAZTESA-N 468.530 1.191 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722381972 JCVZSFHGVAMTFZ-QFIPXVFZSA-N 472.597 1.532 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@](C)(O)CC)CC1 1722434721 YKSPGKQMUFSZAC-JOCHJYFZSA-N 460.604 1.112 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OCC(=O)N(C)C)c1 1722471993 YKBOYKPYPZZPHF-NTKDMRAZSA-N 450.543 1.737 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC(C)C)N(C)C 1722475347 TVZIXPVFZXTQAK-WOIUINJBSA-N 466.652 1.579 30 10 JDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1722533951 GQTOSWAPDXULFG-HXUWFJFHSA-N 470.622 1.794 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1722700356 GJCXCHNONHWVBE-KRWDZBQOSA-N 452.588 1.906 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ncc(CC)s2)C1 1722717976 FSFDDNCDWUBPHN-WBVHZDCISA-N 482.632 1.460 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](C#N)C1 1722724158 ORZZCAVCFQSXDJ-QGZVFWFLSA-N 453.528 1.665 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)C(C)C)CC1 1722726849 IYTLXVLYWSAMOL-QGZVFWFLSA-N 453.609 1.514 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1722728347 UWXHENNMAPESKM-RBUKOAKNSA-N 458.588 1.911 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(O)cc2C1 1722728360 QLPCLWFTWHOIAY-MRXNPFEDSA-N 466.585 1.049 30 10 JDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1729064505 AGHXSCLSUFXFHV-KRWDZBQOSA-N 495.554 1.939 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H](C2CC2)N(C)C)c1 1740564299 IQSMTLGCGSZZMX-NRFANRHFSA-N 463.586 1.797 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1740625562 RESZKSOOZKRMBF-SFTDATJTSA-N 485.610 1.285 30 10 JDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1740631469 JSJPGDPZFOIZCY-NLFFAJNJSA-N 478.601 1.892 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)COC2 1740657352 RFYHKQAPJCRBDR-OAQYLSRUSA-N 469.567 1.152 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(CC)S(C)(=O)=O)CC1 1740702061 VKYVCARUNFERMA-UHFFFAOYSA-N 497.625 1.454 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC 1740731250 SWGXTVCRYJSVLC-HTAPYJJXSA-N 480.635 1.934 30 10 JDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)F 1740745062 KZRPTTUSGKTOCG-LLVKDONJSA-N 458.329 1.611 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CCOC)C(=O)C1 1740763265 IXLBYBBPXNJGOE-LAUBAEHRSA-N 488.614 1.546 30 10 JDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1740802945 DDINAWREQKBPHU-MSOLQXFVSA-N 455.003 1.888 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740850469 HKBUYJOYTOJBHG-CVEARBPZSA-N 464.592 1.255 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(OCC2CC2)c1 1740900592 SRRDTBJDSAPPGP-GOSISDBHSA-N 462.576 1.465 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1740951457 GEAGSVONKLRBKI-IOJLRTSASA-N 459.639 1.911 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1740962127 TYMHJCVJXTXHHC-IFMALSPDSA-N 494.644 1.383 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](c2ccccc2OC)C1 1740990804 FWNSDSISAQRZNO-FUHWJXTLSA-N 459.572 1.833 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1740992927 VWSJANQBCINWNE-MRXNPFEDSA-N 493.552 1.668 30 10 JDEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)c(=O)n1C 1742235238 FTBKDYVLZCLHBB-XMMPIXPASA-N 461.526 1.486 30 10 JDEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1748755621 RAQJOOSBFQPEBF-IBGZPJMESA-N 463.629 1.975 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCOC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1748814162 ACBDMCYFDSTGQC-PKOBYXMFSA-N 463.604 1.595 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(O)CCN(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1748818530 CDFNOKNSVZSJLU-HXUWFJFHSA-N 491.683 1.792 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748821717 UBUMZMQWKDPGAQ-IRLDBZIGSA-N 471.627 1.411 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@H](CC)OC)CC1 1749008510 AHHRLMZJXVJBDT-KRWDZBQOSA-N 463.542 1.985 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(COC)CCCCC2)CC1 1749014844 PJJQOTFGLGCUGU-HXUWFJFHSA-N 491.658 1.743 30 10 JDEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749029257 POKZFUXOCMMPJM-AWEZNQCLSA-N 489.399 1.221 30 10 JDEE COC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)OC 1749322923 DJCBPGZNPPNHLA-NRFANRHFSA-N 467.574 1.369 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1749677254 TUCJLBUHLLOVRC-IBGZPJMESA-N 467.530 1.643 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OCC)CC1 1749740668 XMAQEBGWRJNQAD-UHFFFAOYSA-N 488.570 1.608 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNS(=O)(=O)c1ccccc1 1760113327 SXPRHWZZTTUKRB-IBGZPJMESA-N 494.625 1.889 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)Nc1cccc(Cl)c1C 1760175863 UAZAPJZVAMRFJB-SFHVURJKSA-N 495.005 1.671 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760182894 MZCOXPKZEUHCHQ-YDHSSHFGSA-N 478.663 1.554 30 10 JDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](C)N1CCOCC1 1760222090 WNHVPBNNSOEOKG-VWLOTQADSA-N 489.668 1.826 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cnn(CCOC)c2)CC1 1760256028 RRFJPXQTFYXVNY-UHFFFAOYSA-N 450.503 1.500 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1760326915 ZGNSVMFJHCMSAU-PXDATVDWSA-N 493.612 1.968 30 10 JDEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(CCOC)C(=O)C1 1760347243 NFJLCUHHLGPMJF-UHFFFAOYSA-N 467.618 1.514 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1760427922 LMDRQLLVTHXRIO-HUUCEWRRSA-N 467.514 1.735 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1760440569 MRILYQUEXBXQKJ-RBUKOAKNSA-N 480.635 1.320 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C 1760489575 ICCFBGJKGKBNEG-HBMCJLEFSA-N 485.633 1.365 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](CC)O[C@H](C)C1 1760517809 YTOBPGPAKVREHY-AEFFLSMTSA-N 476.603 1.501 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)C1 1760535361 PJGCHUIMHHLCIN-IXDOHACOSA-N 486.639 1.925 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCOCC2)C1 1760539087 JSGPBWVLXUHKPR-FQEVSTJZSA-N 475.615 1.852 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760557361 IZFVBHHKAPTEKS-KRWDZBQOSA-N 465.580 1.017 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@](C)(O)C1CC1 1761234088 CFVPBQCGVXZAIV-QHCPKHFHSA-N 455.538 1.915 30 10 JDEE COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1769852291 BUFHNJILURAFIC-UHFFFAOYSA-N 450.478 1.909 30 10 JDEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(O)c(O)c1)c1cccc([N+](=O)[O-])c1 1862741262 ODKGCGHGNDVDHQ-FQEVSTJZSA-N 469.450 1.917 30 10 JDEE COCCCN1C(=O)c2ccc(C(=O)N[C@H](CO)C(=O)N[C@H](C#N)c3ccc(C)cc3)cc2C1=O 1867519662 ORYNFOKYJQLVNQ-NHCUHLMSSA-N 478.505 1.099 30 10 JDEE COc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)cc2O)cc1OC 1874219021 QPBRRERMVMVABN-FOKLQQMPSA-N 457.512 1.951 30 10 JDEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SCC(N)=O)ccc1OC(=O)c1ccccc1 1874432705 STCWVBRPLOFIMN-OPEKNORGSA-N 482.522 1.602 30 10 JDEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)O 2124518986 FGNQBUOQJBSHAT-NRFANRHFSA-N 450.345 1.769 30 10 JDEE Cn1cc(C(=O)NCC2CN(C(=O)OCc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2247838796 NLMQLYUQFUFRHH-UHFFFAOYSA-N 454.336 1.718 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CCO1 2255843889 NJQMKULYTKNVMS-CYBMUJFWSA-N 453.370 1.808 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1CC(NC(=O)OCc2ccccc2)C1 2255948695 OPGMJKUEJBTTHY-UHFFFAOYSA-N 490.391 1.455 30 10 JDEE Cn1nc(C(=O)NC[C@]2(NC(=O)OC(C)(C)C)CCOC2)cc1B1OC(C)(C)C(C)(C)O1 2267132795 UOIUDWDSDQIJFI-OAQYLSRUSA-N 450.345 1.133 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)CO[C@H]1C2 2267147675 SYYCQTAFCCKHTI-YPENRWOSSA-N 465.381 1.997 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)n1 2267149446 MURRCKPWMGTRIS-UHFFFAOYSA-N 450.345 1.226 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2267292538 FFIYNYHKWAJNTJ-UHFFFAOYSA-N 470.353 1.602 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)O1 2268651176 ABEBVWDFQUCTLI-QWHCGFSZSA-N 468.385 1.612 30 10 JDEE CN(C[C@H]1COCCN1C(=O)OC(C)(C)C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2281960636 CIOIMZLXCDJUQY-HNNXBMFYSA-N 464.372 1.427 30 10 JDEE CCn1cc(C(=O)NC[C@@H](CCOC)NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282034633 KZQWLHIKOXLKIF-OAHLLOKOSA-N 466.388 1.862 30 10 JDEE CC1(C)OB(c2cc(C(=O)N3C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C3)cs2)OC1(C)C 2282204645 KWPVZVYNKBGQGF-PWSUYJOCSA-N 475.298 1.042 30 10 JDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)OC1(C)C 2282488066 AIZXSIYNCLVZSD-RYUDHWBXSA-N 495.354 1.510 30 10 JDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)OC1(C)C 2282840695 IVHPFQQZZCPNQI-LBPRGKRZSA-N 497.370 1.663 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2282852739 SWWSQBOYSIFOBY-CQSZACIVSA-N 484.428 1.786 30 10 JDEE C[C@@H](OCc1ccccc1)[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C(=O)O 2284418027 SUTCSYCMVXKOQL-KDOFPFPSSA-N 479.364 1.056 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)[C@@H]2CS(=O)(=O)C[C@H]21 2334272255 FNWIEQQTOVMWCC-KLHDSHLOSA-N 470.397 1.714 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 2362458160 PZPUSFQTPGKWTJ-XHSDSOJGSA-N 460.384 1.952 30 10 JDEE N#Cc1ccccc1[C@@H]1N[C@](CC(=O)O)(C(=O)O)[C@@H]2C(=O)N(C/C=C\c3ccccc3)C(=O)[C@@H]12 247662674 UKWKSGMJWDGAOV-YPGMHOBRSA-N 459.458 1.815 30 10 JDEE C=CCn1c(=NC(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2cc(S(N)(=O)=O)ccc21 254742704 QCBLXJAWVNGLFD-UHFFFAOYSA-N 470.532 1.931 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(CC(=O)N4C[C@@H](C)C[C@@H](C)C4)CC3)cc2C1=O 603627447 OUKRMEADGSNLQY-HDICACEKSA-N 452.555 1.731 30 10 JDEE CCc1ccccc1-n1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cnn3ccccc23)c1=O 729669792 DIKMEFSRIAJKEB-QGZVFWFLSA-N 487.585 1.763 30 10 JDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C)c(F)c1 729670620 YNUBQLNEUNJZTP-MRXNPFEDSA-N 491.548 1.648 30 10 JDEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cccc(C(F)(F)F)c1 729671068 CNHRLNRNIKJUCE-UHFFFAOYSA-N 469.448 1.815 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 1159963531 QDZPJZPKRVZSGC-UHFFFAOYSA-N 458.496 1.657 30 10 JDEE C#Cc1cccc(NC(=O)CNC(=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)OC)c1 1264714609 SSKFYACPPGIJFO-FQEVSTJZSA-N 451.479 1.971 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)CN(C)C)CC1 1286479097 FLPVJTOMEKAWQR-FQEVSTJZSA-N 489.665 1.930 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)CCOC)CC1 1286480593 NUMGQJIHUUMSOW-CYFREDJKSA-N 492.621 1.129 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](N1CCOCC1)C(F)(F)F 1286516339 GETGWFSYQNLHPZ-HDMKZQKVSA-N 478.541 1.144 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C1CCCC1 1286522607 MGNOHNZXCFXVFG-SIKLNZKXSA-N 464.636 1.478 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)C)CC1 1286546791 LPHVGBIGSDYAQJ-OTWHNJEPSA-N 454.641 1.790 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1286819484 MAXRSLCZDBVRGQ-HXUWFJFHSA-N 487.626 1.712 30 10 JDEE CC(=O)N1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C#N)c2)C1 1286856311 HYWYDEZZRMSFEF-UZLBHIALSA-N 473.603 1.655 30 10 JDEE CC(=O)N1CCN(CCn2c(Cc3c(F)cccc3F)nnc2N2CC[C@](F)(C#N)C2)CC1 1286890870 UFSNHSXPTTYFHN-QFIPXVFZSA-N 461.492 1.753 30 10 JDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1300344621 FKCHTRIPKJUPHM-QGZVFWFLSA-N 458.588 1.666 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1300478793 BNUNJCMNSFELHO-PGRDOPGGSA-N 496.703 1.261 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1300488878 HLSCCBDHVAKGQV-IRXDYDNUSA-N 466.535 1.574 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1ccnc(C(C)(C)C)n1 1300537189 AYCSMKXFMNGVGH-GOSISDBHSA-N 454.600 1.973 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1300718097 AJJMJQXFOGCFTQ-OAQYLSRUSA-N 495.628 1.755 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCC[C@@H](C)C2)CC1 1300730546 AJNZAYXGPQHEPE-LJQANCHMSA-N 497.669 1.967 30 10 JDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1300863062 HKOFWEYZWXLSKC-FZKQIMNGSA-N 453.341 1.853 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](CNS(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1300898572 YNMHHGPBUPMACT-SRYPRDQNSA-N 497.662 1.677 30 10 JDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1301458597 CTKFPSCMLMBVDC-UHFFFAOYSA-N 460.608 1.404 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCC[C@@H](SC)C1 1301492855 PJZDVFQHKNRNBZ-GOSISDBHSA-N 453.576 1.945 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1301499874 GKLYHSTXJJUPJW-NNMXDRDESA-N 470.622 1.727 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1301584784 DNEBCTFSHQJAFC-WOJBJXKFSA-N 472.615 1.541 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1301586463 MGKKMKXTYYIMJC-HSZRJFAPSA-N 473.599 1.532 30 10 JDEE N#Cc1cccc([C@H]2CN(c3nnc(C(=O)Nc4ccccn4)n3CC(=O)NCC(F)F)CCO2)c1 1302988755 AYHZSEPODKIALN-QGZVFWFLSA-N 496.478 1.756 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C(F)(F)F)cc1 1303866164 GVMYXYXHFIMPFM-DOMZBBRYSA-N 458.466 1.684 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOCc1ccc(OC)cc1 1358890576 RMDVMCVYBOYBKD-XLIONFOSSA-N 477.587 1.294 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358960062 VTAZESYEMOPIGA-GOSISDBHSA-N 460.556 1.122 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358964630 CNBZPISIJVNZGL-IEBWSBKVSA-N 488.614 1.804 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([S@@](C)=O)CCC1 1359019811 HHNSMRQERJJCFI-SSEXGKCCSA-N 464.613 1.736 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCCn2cnnn2)CC1 1359032697 ZCCJMPNVQJROIB-UHFFFAOYSA-N 470.379 1.848 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1359034468 RRZFFRHIXZBNGP-AVRWGWEMSA-N 463.586 1.744 30 10 JDEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359078494 DSAHZRPDSSRNGE-AWEZNQCLSA-N 489.417 1.881 30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCS(=O)(=O)NC(C)C)CC1 1359161906 VJYGUSMHWRUGHP-UHFFFAOYSA-N 496.659 1.680 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCCC2)nc1 1359271644 AGOKMWGBRPYVKZ-FQEVSTJZSA-N 487.630 1.833 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)c1 1463472618 OBVBARSNEOWXBU-NRFANRHFSA-N 457.552 1.351 30 10 JDEE C=C(Cl)C[C@H](NC(=O)CNS(=O)(=O)c1ccc(Br)cc1)C(=O)OCC 1471117885 GTVAJTQWNBFSCC-ZDUSSCGKSA-N 453.742 1.918 30 10 JDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1503366731 DWSRPPDIMLGFHZ-MOPGFXCFSA-N 451.531 1.454 30 10 JDEE Cn1cnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(F)(F)F)CC2)n1 1503671388 GGIXKNVREFUILQ-UHFFFAOYSA-N 461.452 1.590 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC(=O)N2)c1 1507551120 AUPYFFBUUDEZBA-GOSISDBHSA-N 463.567 1.969 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1507622051 ATWPRKOXCXODFV-JXFKEZNVSA-N 465.601 1.012 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1507626067 MQMXSTPLUNOXPO-RXVVDRJESA-N 475.527 1.286 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(Cc2ccccc2)CC1 1507667592 PFCQSLXEGHQOAD-HSZRJFAPSA-N 459.598 1.510 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C(C)C)n1 1507688475 AZYDIUMJLBZJFT-QGZVFWFLSA-N 466.633 1.893 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1507710131 KAAWOUDTLRPAQE-OSPHWJPCSA-N 466.542 1.301 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1508089623 CNDOVDZZEJETKW-UHFFFAOYSA-N 479.545 1.677 30 10 JDEE CC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)CC1 1508194193 BIGQOAWDABGMCX-UHFFFAOYSA-N 499.641 1.935 30 10 JDEE CCCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N(C)CC)c2ccccc2c1=O 1514992243 GFKPRJYOVQRERR-INIZCTEOSA-N 464.530 1.272 30 10 JDEE CCn1cc([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCNS(=O)(=O)CC)CCO2)cn1 1515762226 BLZPVSFFKNQVNS-HXUWFJFHSA-N 484.586 1.550 30 10 JDEE CNS(=O)(=O)c1cccc(Cn2c(Cc3ccncc3)nnc2N2CC[C@](F)(C#N)C2)c1 1517619560 CBKSCLBYWOLVRB-NRFANRHFSA-N 455.519 1.662 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1539205226 GHJUKSBZSVINCH-LJQANCHMSA-N 469.527 1.685 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1539206014 LPQWSFINAWYUQI-YCRPNKLZSA-N 496.540 1.333 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1539206716 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C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNC(=O)OC(C)(C)C)CC1 1588923838 NVVLQFSSHBZXFV-KRWDZBQOSA-N 473.578 1.110 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2ccn(C)n2)CC1 1588961535 CXEVBTLAORTUIF-UHFFFAOYSA-N 463.542 1.613 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1589229009 XLQRTVDESUVBBH-RUZDIDTESA-N 457.538 1.519 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOC)[C@H](CC)C1 1589442902 FVCOAOBFOUTQOI-MRXNPFEDSA-N 455.401 1.856 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2nnc(C)s2)CC1 1594241675 YVSFHZKPMIGTAX-KRWDZBQOSA-N 481.648 1.806 30 10 JDEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1594703229 GQIMPXKAIYFUKQ-AWEZNQCLSA-N 459.348 1.821 30 10 JDEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1 1594812777 KHWJWUOFKBLVNU-MSOLQXFVSA-N 492.577 1.820 30 10 JDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1595190747 GNMLARFHYBWJPT-KRWDZBQOSA-N 454.560 1.924 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@@H]1C 1595261159 OLEQDRTWBCEQBK-OALUTQOASA-N 463.604 1.729 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc(Br)cn1 1595302809 FHHFTKGHDNISBU-CQSZACIVSA-N 473.397 1.478 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC2(CCN(C)C2=O)CC1 1595602568 NXLOXIBTBCJUIX-IEBWSBKVSA-N 458.607 1.948 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](C(=O)NC)C1 1595788983 MKEOSFYWDVSQLX-LJQANCHMSA-N 486.554 1.152 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2nccc(OCC)n2)CC1 1595804917 IGEKOYZZINUVHK-UHFFFAOYSA-N 477.635 1.983 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1595884414 LMAKZFKFEHIINZ-ZIAGYGMSSA-N 481.566 1.604 30 10 JDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1616734421 DQWWOSAAEHRYPE-UHFFFAOYSA-N 452.529 1.133 30 10 JDEE CCS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)CC1 1617363172 CUCQRHRWNKEBGR-UHFFFAOYSA-N 476.603 1.798 30 10 JDEE 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485.610 1.917 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1689985983 GNLPWQHXRSXWEH-SFHVURJKSA-N 451.556 1.476 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN1CCCS1(=O)=O 1690018087 UEIHYDVWCZCMBJ-UHFFFAOYSA-N 490.630 1.501 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@@H]1C 1690048799 OVNZXFYDXRCIOT-LEWJYISDSA-N 486.617 1.770 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@H](C)N2CCOCC2)CC1 1690133361 DLINXRJRVASIKM-NRFANRHFSA-N 452.603 1.895 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1690144333 VGPUMHXJAFMJAZ-QUCCMNQESA-N 455.607 1.315 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1690154561 RNWUWWMJGKMPFT-UHFFFAOYSA-N 468.649 1.179 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccco2)CC1 1690236247 KJEMOLVGERCQJH-AOIWGVFYSA-N 492.602 1.425 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1690644546 RTJXNXJREXJNKH-ROUUACIJSA-N 496.659 1.368 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2ncccn2)CC1 1690659332 PPDMTFIESNMHJF-UHFFFAOYSA-N 495.975 1.280 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690662064 PUVTYXVFUFRQFV-GOSISDBHSA-N 450.341 1.300 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690662778 CZZPPOKHZOOOBW-OAHLLOKOSA-N 468.377 1.633 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690663087 LSPILJUJSQQREH-AVRDEDQJSA-N 476.585 1.108 30 10 JDEE C=CCSCCn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@@]1(OCC)CCOC1 1690751306 YZABMIAHNSJWRX-OAQYLSRUSA-N 464.592 1.370 30 10 JDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)N(C)C 1692720744 FGSXJDCUYYTKAD-UYAOXDASSA-N 489.646 1.787 30 10 JDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCN(CC)CC1 1705551965 TXOJMWGNNXXGEV-VQTJNVASSA-N 475.638 1.682 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1705560711 JWVYDVVYEZQIEP-GOSISDBHSA-N 477.612 1.232 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1705570992 TZHWIXHQHTUDNX-XMSQKQJNSA-N 462.547 1.440 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1705571050 VMGKBUNHXGHRCR-OAHLLOKOSA-N 463.510 1.076 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC(=O)N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1705571571 BEYRYUYSZDDZHC-RBUKOAKNSA-N 463.604 1.549 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(C)cccc1C 1705582701 HSSGRPMNAXDRCT-NRFANRHFSA-N 455.584 1.543 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCS(=O)(=O)CC)CC1 1705647543 HZOBTJCBTNMJMY-UHFFFAOYSA-N 468.583 1.827 30 10 JDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC(=O)NC(C)C 1705658738 ZEEVXVRNZNTPBU-UHFFFAOYSA-N 463.633 1.565 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705708456 CPTKTNUXMKQMPB-BJLQDIEVSA-N 453.609 1.800 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1705811288 CEEKDZGLTKODSJ-RBUKOAKNSA-N 481.667 1.378 30 10 JDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCO[C@H](C)C2)nc1)C1CC1 1705849407 LRAFEQSOUQYMCO-SJORKVTESA-N 475.619 1.712 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1705906407 CVQTURFNYZFONG-LJQANCHMSA-N 472.565 1.847 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1705911481 JENBMODXUCZDTE-SIKLNZKXSA-N 490.561 1.666 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1705931111 GELQRHGYVDXOQP-SFHVURJKSA-N 483.392 1.353 30 10 JDEE CCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1708884204 CAJLFPFHHIMMPS-OXJNMPFZSA-N 470.571 1.260 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1722360579 AYLSSGDSPZXATM-LJQANCHMSA-N 484.582 1.679 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCS(=O)(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1722361409 HVVHDVQWNKUHKR-INIZCTEOSA-N 483.591 1.039 30 10 JDEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1722362655 VPYIRNMHRRQMQI-QZTJIDSGSA-N 471.583 1.725 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CCCNS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1722364396 ZMNQURFNRXICEK-GOSISDBHSA-N 479.628 1.210 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1722372296 TWNPRRUSXSGWGN-IBGZPJMESA-N 473.574 1.799 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCc1cnn(C)c1 1722375398 CFZRXIUCVMOWCV-UHFFFAOYSA-N 464.599 1.986 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(NC(=O)OC)c2)CC1 1722433417 UWDWSWNWKNJXCB-XMMPIXPASA-N 468.558 1.912 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)N(C)C2CC2)CC1 1722443508 KNICEWNNIXIZBY-KOSHJBKYSA-N 458.607 1.379 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1722444702 MUJPVBNIUMSZLU-BWKNWUBXSA-N 499.637 1.335 30 10 JDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C)C(=O)[C@@H]1C 1722459538 MMBJZYWWFLEOKS-KRWDZBQOSA-N 454.604 1.485 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722495019 ULKDKPUIWOBNSG-LEWJYISDSA-N 470.622 1.843 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)F 1722508345 LAAILPSHTQALTK-VYDXJSESSA-N 463.551 1.684 30 10 JDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722534214 IWPJEPOJQDLQBR-NQIIRXRSSA-N 456.595 1.260 30 10 JDEE C=CCCCn1c(COc2ccc(C)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1722621514 WTICXNRKKYLPCD-UHFFFAOYSA-N 480.573 1.598 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722693994 HZHCFFQTJGNXLN-OAHLLOKOSA-N 474.363 1.532 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCOCC2)CC1 1722730011 FNMZAHMADCKZCY-UHFFFAOYSA-N 477.635 1.042 30 10 JDEE CC(C)CN1CCO[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)C1 1723477452 CFWPGKKEFDBMDF-OAQYLSRUSA-N 495.632 1.366 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(c2nccs2)CC1 1740591283 NIFYHOKJSQVFFD-QGZVFWFLSA-N 479.632 1.198 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1740622565 DSHCXTCOMWJZFM-HLIPFELVSA-N 487.582 1.332 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740628488 YFLFQZURGJARJC-IRXDYDNUSA-N 451.593 1.309 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(OC)nc1OC 1740632013 ZROYGSWRVOCITE-UHFFFAOYSA-N 465.535 1.882 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccccc1 1740640002 HTTACGKOSRLKLM-WOJBJXKFSA-N 457.556 1.072 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740747292 DBFXXPWNBTVNFZ-QAPCUYQASA-N 494.438 1.298 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(OCC(N)=O)CC1 1740778932 XYDXJXURJBUPDL-UHFFFAOYSA-N 462.576 1.242 30 10 JDEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1740872586 OXKJTLZYXJNKKH-UHFFFAOYSA-N 452.559 1.727 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCCCO2 1740900095 MCBCJOKWWDQZNI-LJQANCHMSA-N 463.560 1.443 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCN(CC(=O)N(C)C)CC2)cc1 1740967821 RHOSSFKVJPABLW-HXUWFJFHSA-N 454.575 1.605 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC(c3cnn(C)c3)CC2)nnc1[C@]1(OCC)CCOC1 1740994189 OATGROCEESTVBF-QFIPXVFZSA-N 478.619 1.649 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740995148 BMZMNTKUZSCNLF-GOSISDBHSA-N 483.598 1.213 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC[S@@](=O)CC)c1 1748690726 WOCJABGNBACBQB-YTTGMZPUSA-N 456.572 1.339 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1748803043 USLISPGWFHHAJQ-SJORKVTESA-N 485.701 1.672 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2OCC=C)CC1 1748972070 BOJVUSXDTKURJW-GOSISDBHSA-N 458.588 1.257 30 10 JDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749241947 XPABIWZBZDDKQI-BZSNNMDCSA-N 457.597 1.065 30 10 JDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1749640162 AZJWEAGVQACLPH-OALUTQOASA-N 454.623 1.952 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC2(CC1)COC(=O)N2 1749655328 HYYJWFOJVVHJKL-UHFFFAOYSA-N 462.457 1.928 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1749671733 HIRAWUJOYMREKB-QGZVFWFLSA-N 471.512 1.860 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1 1749724596 MAGBRAFRZFIJNC-FQEVSTJZSA-N 496.590 1.238 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1749727674 ZWTPQZCOLHIXKI-MRXNPFEDSA-N 488.035 1.998 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC(F)(F)F)cc1 1760175591 NCMSWIZIDBGWQS-QGZVFWFLSA-N 487.504 1.670 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCS(=O)(=O)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760189600 QAXNHKOGAXMBAZ-OAQYLSRUSA-N 499.618 1.582 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1760191170 BYIPMJMOLHFHNS-QUCCMNQESA-N 459.620 1.249 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(Cl)c2)CC1 1760262252 WHSTYVIMPRBBNC-QGZVFWFLSA-N 463.991 1.646 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCNC(=O)C2CCC2)CC1 1760269330 FNCVYAHGXJJAPQ-HXUWFJFHSA-N 456.591 1.792 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1760517817 YWTWTHUMNOKJHD-QGZVFWFLSA-N 474.587 1.003 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN(c2cccnn2)CC1 1760527922 MHQOPVIFFKZGBS-UHFFFAOYSA-N 480.598 1.998 30 10 JDEE C=CCOc1ccccc1Cn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760533884 OMAVZHQNBVJOQQ-PXDATVDWSA-N 485.585 1.883 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1760565617 AZZWCUNDIBRZGZ-CQSZACIVSA-N 460.585 1.634 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCn1cccn1 1761501306 FSFVGUQLDZLANP-YLJYHZDGSA-N 484.586 1.625 30 10 JDEE CC[C@@H](C)NC(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1762040970 GYUKBSJLSULEIA-QVKFZJNVSA-N 476.582 1.985 30 10 JDEE CN(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1766944473 GMSLUWMYKWJPMG-IBGZPJMESA-N 487.586 1.040 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@](C)(C(N)=O)C1 1772660124 KOVDPYWZMZKDDX-OAQYLSRUSA-N 463.560 1.265 30 10 JDEE CC(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCN2CCOCC2)CC1 1870348205 NSVXKTUSBMVTTR-UHFFFAOYSA-N 479.581 1.295 30 10 JDEE COc1cccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1O 1874209993 IYVDZFKJEAYRAL-LHSRNITLSA-N 480.550 1.968 30 10 JDEE COc1cc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc(OC)c1OC 1874338059 MKYUHVGIXSVQRD-CCYVPWSASA-N 476.559 1.488 30 10 JDEE CN1CCN(CC#CCOC2CCN(C(=O)CCc3nc(-c4ccccc4)no3)CC2)CC1 1890475084 LIAGVVPTCJIXKM-UHFFFAOYSA-N 451.571 1.928 30 10 JDEE Cc1cnc2n(c1=O)C[C@@H](C(=O)N1CCC(OCC#CCN3CCN(C(C)C)CC3)CC1)CS2 1890681630 OECFBSPELJSLFF-OAQYLSRUSA-N 487.670 1.311 30 10 JDEE Cn1nc(C(=O)N[C@H]2CCN(C(=O)OCc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2247920359 YPPOXPNSASLGLD-KRWDZBQOSA-N 454.336 1.860 30 10 JDEE C=C(CS(=O)(=O)NCC1(O)CCN(C(=O)OC(C)(C)C)CC1)B1OC(C)(C)C(C)(C)O1 2255801672 PAVUQPOOSBVFCH-UHFFFAOYSA-N 460.402 1.855 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]1(C(=O)N=c1nc(B3OC(C)(C)C(C)(C)O3)[nH]s1)C2 2256672875 OFLNHMUFPUPIOR-YUNKPMOVSA-N 450.370 1.987 30 10 JDEE COCC[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2267173772 PGMKRJRPOLVQOB-AWEZNQCLSA-N 452.361 1.379 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2267368868 PFXZCPRMYXQPAL-AWEZNQCLSA-N 470.401 1.397 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H](O)C1 2267374649 VAPFFQCMCYUMBM-KBPBESRZSA-N 488.437 1.696 30 10 JDEE CCc1nn(C)c(C(=O)NCCCONC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267509229 RFERXESSBYOTSS-UHFFFAOYSA-N 452.361 1.858 30 10 JDEE CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2267607654 AKLROEVGWFKBEO-LBPRGKRZSA-N 460.262 1.961 30 10 JDEE Cc1csc(C(=O)NCC(CO)(CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2270657550 QEDUFOQWPJGAIF-UHFFFAOYSA-N 470.397 1.334 30 10 JDEE Cn1ncc(C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2281823382 YIWACASRXRZGEZ-WOJBJXKFSA-N 452.364 1.445 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)n1 2281950257 TXNUQBGSFBPDAM-IPMKNSEASA-N 451.380 1.755 30 10 JDEE CC1(C)OB(c2csc(C(=O)N3C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C3)c2)OC1(C)C 2281970689 RKKGLBQPCYLCPK-PWSUYJOCSA-N 475.298 1.042 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCOCCN(C)C(=O)OC(C)(C)C)n1 2281995902 IWLXTLHOUWRAAK-UHFFFAOYSA-N 466.388 1.816 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC[C@H]1[C@@H](NC(=O)C(F)(F)F)C2 2282042297 GNFXTUFOBXZYRE-UBHSHLNASA-N 456.274 1.391 30 10 JDEE Cn1cc(C(=O)N=[S@@]2(=O)CC[C@@H](CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282053600 WDQJMYJICHFPAI-RPLXOIEJSA-N 482.412 1.872 30 10 JDEE CC1(C)OB(c2cccc(S(=O)(=O)NC[C@]3(O)CCN(Cc4ccccc4)C3)c2)OC1(C)C 2282344901 XNPYXZVPVIQLOA-XMMPIXPASA-N 472.416 1.901 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)n1 2282836567 LTFOBPHEOKAEGU-UHFFFAOYSA-N 482.412 1.397 30 10 JDEE C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCN1C(=O)OC(C)(C)C 2282853301 AUTFRZOQJAXWCP-CABCVRRESA-N 484.428 1.786 30 10 JDEE CC1(C)OB(c2nccnc2C(=O)NC[C@@]2(O)CCCN(Cc3ccccc3)C2)OC1(C)C 2283069212 NVASMHZYJKWRAY-DEOSSOPVSA-N 452.364 1.533 30 10 JDEE CCc1cccc(OC[C@H](O)Cn2c(NN=Cc3ccc(O)cc3)nc3c2c(=O)n(C)c(=O)n3C)c1 2318436467 YOXJAFSYZWFJIP-LJQANCHMSA-N 492.536 1.588 30 10 JDEE Cn1ncc(C(=O)N[C@]23CO[C@H](C2)[C@H](NC(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2359263057 FEVROZOYQXZKAT-HLFMIMNKSA-N 462.356 1.274 30 10 JDEE CN([C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2369653203 XFQCBCILNDTSGT-IAGOWNOFSA-N 485.387 1.959 30 10 JDEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(F)cc3)n2N)cc([N+](=O)[O-])c1O 21326999 PUEGVQFBKYCIPD-ODCIPOBUSA-N 476.450 1.930 30 10 JDEE C=CCn1c(=O)c2ccc(C(=O)NC(C)C)cc2n2c(=O)n(CC(=O)Nc3ccccc3F)nc12 64581525 ALQJOXLTSPYNMM-UHFFFAOYSA-N 478.484 1.913 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1CCN1CCOCC1 514475217 SVHXNODTEUTWCP-UHFFFAOYSA-N 492.523 1.066 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC)c(OC)c2)c(=O)n1C[C@@H]1CCCO1 603797698 FQKGOXBNKVUETH-KRWDZBQOSA-N 469.563 1.301 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(OC3CCCC3)nc2)CC1 608893380 NDHIPSBNXFSODZ-UHFFFAOYSA-N 483.550 1.746 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNC(=O)NCc2ccc(Cl)cc2)CC1 608957535 UUHCWJCKDKZWDT-UHFFFAOYSA-N 475.958 1.544 30 10 JDEE COc1ccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3cnn4ccccc34)c2=O)cc1F 729672438 OIGCIOJIBIFABO-UHFFFAOYSA-N 489.532 1.820 30 10 JDEE CN1CC(=O)NC1=NC(=O)[C@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757309865 YFZFLEYJUKTERR-IBGZPJMESA-N 464.478 1.703 30 10 JDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286347374 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C=CCS(=O)(=O)CCn1c(N2CC[C@H](c3cnn(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286825137 MLLFOILWYPNGBG-AVRDEDQJSA-N 478.619 1.647 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(O)CCS(=O)(=O)CC1 1300300447 ZISIMCSCZQBBIM-KRWDZBQOSA-N 454.556 1.528 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@]2(OC)CCOC2)c1 1300331252 GVFMCAVPMOACCU-RPBOFIJWSA-N 483.569 1.792 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1300482197 DPRMWOQTTAYWSH-DENIHFKCSA-N 477.562 1.528 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300497653 BSCLLDPENTWMBB-NQIIRXRSSA-N 492.045 1.870 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H](C)N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1300502315 RXFUWEAZFSNZHB-ISKFKSNPSA-N 498.697 1.716 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1300504847 UNULRRHTBOVCQP-LJQANCHMSA-N 472.546 1.713 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(C(N)=O)nc1 1300512618 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1301500141 JOUFYQKBKPOMCO-PKOBYXMFSA-N 476.603 1.153 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1301521083 ZGBLGRBFOWHZLD-QWFCFKBJSA-N 474.606 1.327 30 10 JDEE CN(C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)C1CCCCC1 1314619027 DJKQNBVLHORGRD-UHFFFAOYSA-N 485.614 1.689 30 10 JDEE COC(=O)N1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)CC1 1315114452 GLDLGGCAGKBDPK-UHFFFAOYSA-N 495.588 1.488 30 10 JDEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1315979884 HFCFPIHUJUCWHH-BWKNWUBXSA-N 498.584 1.344 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358955146 FSJVJKNDXZUFAL-VAMGGRTRSA-N 492.690 1.800 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358955696 RBJRLMDGBQXHOO-LEWJYISDSA-N 490.674 1.651 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCCOC)[C@@H]1CCS(=O)(=O)C1 1358959088 BGTIUPUTAZKMQJ-GOSISDBHSA-N 476.555 1.006 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358964345 XPWUTMGDVJKCHY-SLFFLAALSA-N 451.637 1.603 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1358968093 ZEJQAMKPBWZAHM-BURNTYAHSA-N 480.631 1.978 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)NCCC)c1 1359010130 HFMIOGLMYUHIBQ-HXUWFJFHSA-N 488.614 1.259 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCCC2)cc1 1359024124 FVKAGQIMUGORAI-JOCHJYFZSA-N 471.627 1.910 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1359024364 LNBCBUQBYDHSIO-KRWDZBQOSA-N 469.608 1.523 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(CC)CCCC2)CC1 1359040968 KTISJDOWWKALMS-KRWDZBQOSA-N 464.636 1.825 30 10 JDEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359049487 QFEHSHASXMIVPD-CVEARBPZSA-N 472.546 1.071 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1359096778 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C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1359334629 MKGFMIQQPVSERR-UHFFFAOYSA-N 499.597 1.324 30 10 JDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc2c(c1)CC(=O)N2C 1472355226 BUECOFGGQASCHP-GOSISDBHSA-N 454.552 1.975 30 10 JDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)CC1 1475010939 BXYGOOSYNCDBFU-UHFFFAOYSA-N 453.992 1.965 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](F)(C#N)C1 1503266850 CKNHQWCLQPTDLI-OAQYLSRUSA-N 474.566 1.630 30 10 JDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CCOCC)CC1 1507583046 MQJMTMYSPHRYEE-UHFFFAOYSA-N 459.620 1.810 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1507640107 PJJUTEQTAHWWGB-HXUWFJFHSA-N 457.600 1.605 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1507651222 HVUIWFLPCCGYMC-UHFFFAOYSA-N 454.582 1.922 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1cccc(C(F)(F)F)n1 1507679891 STDMVTWUEPWEFE-ZDUSSCGKSA-N 460.482 1.841 30 10 JDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCN(C(C)=O)C1 1507710317 NKWGDGFDOFJOMW-LJQANCHMSA-N 487.630 1.583 30 10 JDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1507751192 DSFUNWQJTHXQDG-INIZCTEOSA-N 459.576 1.831 30 10 JDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1507775455 NMNSOYJDFPZHRE-GOEBONIOSA-N 476.379 1.991 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(CCC)C(=O)C1 1507954795 PORBAOJQLCZCAD-KRWDZBQOSA-N 454.597 1.026 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1508047440 HOSWVUMPQFORHF-SFHVURJKSA-N 472.615 1.668 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1508147330 IOLRWJFFHJZUIO-GOSISDBHSA-N 466.608 1.457 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C(=O)OC(C)(C)C)C1CC1 1538972601 KVJRMSPBXVFVTJ-LSDHHAIUSA-N 454.597 1.746 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCC[C@H]2C)c1 1539037259 DDTYRLCIUPLJQX-MSOLQXFVSA-N 487.630 1.429 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1539102317 WUKUIYXNWJOARZ-SJORKVTESA-N 481.644 1.867 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1539222378 VREHQIPQEFTQIK-UXHICEINSA-N 451.637 1.918 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)C(C)(C)C 1539306363 HGAQQJKLMIITKF-UHFFFAOYSA-N 466.571 1.597 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCOCC1 1539385079 WIDBNVLXIPGWCT-GOSISDBHSA-N 492.621 1.778 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(Cl)s2)CC1 1539452024 JAOXPROCXHWLLV-INIZCTEOSA-N 485.035 1.129 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1539459553 JJYLYBBEUKLYKW-UHFFFAOYSA-N 487.626 1.169 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCNC(=O)C(C)C 1539510644 LCSBOOCMTMMVBE-UHFFFAOYSA-N 467.599 1.767 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1540867286 QLRGUTIUDKYLMM-UHFFFAOYSA-N 467.574 1.000 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1540874593 LXZQMMVNZVOULJ-REWPJTCUSA-N 495.628 1.457 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(O)cc2)CC1 1540874642 NJPSUDHKNCGHQM-UHFFFAOYSA-N 450.547 1.474 30 10 JDEE CC(=O)Nc1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1541008132 GABHHPYUWQNRDN-IEBWSBKVSA-N 458.544 1.110 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCCC2)nc1 1541115655 CJZSZFQBGWHKQO-PKOBYXMFSA-N 488.618 1.250 30 10 JDEE Cc1ccc(SCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1542515734 DPLYEYGRKRCRFI-MJGOQNOKSA-N 492.627 1.441 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(F)cc2F)C1 1555812236 BOPPMOKKBSCZDJ-VQIMIIECSA-N 470.477 1.379 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCC(=O)N2CCOCC2)cc1 1555988499 FBLDCOSAFKLEEP-SFHVURJKSA-N 451.531 1.157 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(CS(C)(=O)=O)CC1 1587569393 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C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1595405346 KVLHTYYAGOXONQ-RXVVDRJESA-N 470.574 1.640 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(F)(F)F)CC1 1595497305 XDWVOWDSJBROGV-UHFFFAOYSA-N 486.520 1.335 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1595506921 QLTYUPJKDFIRCA-UHFFFAOYSA-N 489.024 1.676 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCCS2(=O)=O)C1 1595752628 BYEFDNYORKDQIB-RDGPPVDQSA-N 454.593 1.751 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C(C)C)C1 1595759916 HMRZKTMSDSCNTG-HUUCEWRRSA-N 465.667 1.067 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cnccn2)CC1 1595822670 IMZCDRLRDIDUAQ-UHFFFAOYSA-N 487.561 1.714 30 10 JDEE C#CC[C@@]1(C(=O)N2CCN(c3ccc(C(=O)OC)nn3)CC2)CCCN1C(=O)OC(C)(C)C 1611067726 IRMXVOPFPKJMGT-QHCPKHFHSA-N 457.531 1.705 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COc2nccc(C(F)(F)F)n2)CC1 1613493737 AYZNEGXIHCSTBF-UHFFFAOYSA-N 455.418 1.279 30 10 JDEE N#Cc1cccc(NC(=O)N[C@@H]2CO[C@@H]3[C@H]2OC[C@H]3n2nnnc2Oc2ccc3c(c2)OCO3)c1 1616132365 WXPZDICQUGNOPY-YKCBXCCJSA-N 477.437 1.595 30 10 JDEE COc1cc(C#N)ccc1S(=O)(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 1659463845 CAQYZAMZNZILJQ-UHFFFAOYSA-N 456.590 1.382 30 10 JDEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)C(C)C 1675964694 STCRYQFWRXKMTH-NRFANRHFSA-N 457.623 1.843 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCNC(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1689989822 JBXQHSBNXZEJQB-LEWJYISDSA-N 485.610 1.537 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(NC(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 1689991291 ZKJXJUYXXKKAMZ-IEBWSBKVSA-N 473.555 1.635 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1689992908 QVIOILJXWTZFFR-SLFFLAALSA-N 479.002 1.689 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1690015621 SKKOBDAXTGSVLV-MRXNPFEDSA-N 450.524 1.634 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1690092810 WYPJKUGGOCTPHL-UHFFFAOYSA-N 480.613 1.605 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCOCC1 1690103618 FBGMDASUDQOIDX-LJQANCHMSA-N 493.605 1.604 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1690134720 CPXYOAOCVURNKU-NHCUHLMSSA-N 470.618 1.931 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1690148735 RQACDOFVWQAFHS-DEOSSOPVSA-N 452.534 1.452 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1690508208 DBZWXNQGWJURNN-LJQANCHMSA-N 471.587 1.366 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)[C@H]2CC)cc1 1690680226 MPKBHXFXQNYMKP-IEBWSBKVSA-N 459.572 1.508 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1690720010 XZTXYHHSXQCFJB-OAHLLOKOSA-N 450.952 1.405 30 10 JDEE N#C[C@]1(F)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCn2ccnn2)C1 1698482544 DAOPHRIKUZODNI-HXUWFJFHSA-N 457.901 1.985 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)CCOC 1705495414 PPROUJNSILIWII-GSHUGGBRSA-N 451.568 1.832 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)c1ccccc1F 1705551364 MNGOIJKKCIISPI-LJQANCHMSA-N 464.567 1.346 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1705562084 YJNXVTNPHBGZNA-GBESFXJTSA-N 492.573 1.989 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1705563093 QRPLMQCNBFOEDK-HNNXBMFYSA-N 463.926 1.656 30 10 JDEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705567180 VMZWATIIPTXDFG-CQSZACIVSA-N 494.499 1.732 30 10 JDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNS(=O)(=O)CC 1705614487 LDSWVBVSFIKMSG-QGZVFWFLSA-N 484.623 1.375 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1705621307 XKWYPQDSAKRTAA-QHCPKHFHSA-N 480.613 1.982 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)Oc2cccc(C)c2)CC1 1705632854 CRBOAMUDNYZAAW-RTBURBONSA-N 460.604 1.419 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(F)cn2)CC1 1705646644 LKSRHDVVFRJKFZ-UHFFFAOYSA-N 496.568 1.897 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(F)(F)F)CC1 1705651951 LSSGYCFCZUGLMC-UHFFFAOYSA-N 453.494 1.976 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1705652422 YRYOHZQPKMFLHA-SFHVURJKSA-N 496.703 1.874 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N1CCOCC1 1705856775 DVSYLBLTHBWDRH-FQEVSTJZSA-N 468.558 1.679 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705908060 GXENLEPQNULLSA-OAHLLOKOSA-N 465.601 1.505 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1705911088 YITYLUCQUCESSH-UHFFFAOYSA-N 476.603 1.547 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1705931153 HPIJDSKYAUXAMU-HOCLYGCPSA-N 497.419 1.884 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCC[C@@H](C)C2)CCO1 1711362618 CBSYHBPBUQYBKN-LQWHRVPQSA-N 451.575 1.888 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1722324997 CRKIGDMKPRUOGD-IBGZPJMESA-N 457.600 1.921 30 10 JDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1722329109 AZPKZECUBNUFQP-UHFFFAOYSA-N 483.598 1.606 30 10 JDEE C#CCN(c1nnc(CC)n1CCS(=O)(=O)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722367100 LWXRFZSDEVTDJW-GOSISDBHSA-N 450.586 1.082 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1CCN(CCN(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1722368921 XFTBANSZBLZRFY-FCHUYYIVSA-N 492.690 1.072 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CSC)cc1 1722396035 FMXHXOHEVWJGIZ-OAQYLSRUSA-N 487.651 1.985 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1F 1722397411 QENARCHJOQRSER-NQIIRXRSSA-N 489.573 1.681 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1cnnn1 1722400281 LIAAMFRBQQFVST-LJQANCHMSA-N 467.578 1.932 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](F)COC)CC1 1722441505 RZNHNDPLZAOUFG-IBGZPJMESA-N 490.967 1.812 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCOC[C@H]2C)CC1 1722443769 NXNKERBRLKHOFF-CJFMBICVSA-N 488.633 1.005 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)Cc1ccco1 1722554418 FKKVHAFKCNDRAG-INIZCTEOSA-N 459.956 1.610 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccnc2OCCOC)CC1 1722565968 GNSVDYQSTSGUBL-IBGZPJMESA-N 492.602 1.236 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCCC1 1722672215 MGYIRPPHRQMECY-IBGZPJMESA-N 452.625 1.665 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CCOCC2)CC1 1722705629 FUFXTNNMTJAQJD-UHFFFAOYSA-N 470.574 1.469 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1740581366 VZRUZZMWLOBQOC-MSOLQXFVSA-N 453.547 1.706 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cc(C)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1740616314 YREUDORKRBUQJC-GOSISDBHSA-N 459.572 1.408 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1740617886 YLSGSXGUJSLMGB-AVRDEDQJSA-N 460.556 1.311 30 10 JDEE 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468.558 1.406 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1740709115 ASFRFXOTCXXSRG-SFHVURJKSA-N 455.588 1.450 30 10 JDEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1740793406 RQYZXIBXBKQWDH-LJQANCHMSA-N 453.609 1.769 30 10 JDEE CN(C[C@@H]1CCCOC1)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1747855790 CUWRWUUPHTZOBJ-SFHVURJKSA-N 462.576 1.483 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c(OC)cc(OC)cc1OC 1748670561 AHCKFYQJDHLLQL-CVEARBPZSA-N 462.572 1.907 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1748815319 ORVGWELZHFFTPP-KRWDZBQOSA-N 498.609 1.491 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1748971575 VUNLSMUGKCJXGU-UHFFFAOYSA-N 472.615 1.177 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(S(C)(=O)=O)CC2)CC1 1749001236 MZCKWPMRWWFXEE-HDICACEKSA-N 492.646 1.381 30 10 JDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 1749169115 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1286646923 XPFFFOYNSPAXNP-HXUWFJFHSA-N 461.588 1.962 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@H]1CCCO1 1286781164 VFFLIHHOZKQJFK-MRXNPFEDSA-N 461.592 1.464 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](CN2CCOCC2)C1 1286821437 KYRJLUAOODEEDT-SFHVURJKSA-N 495.596 1.906 30 10 JDEE C=CCS(=O)(=O)CCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1C1(c2ccccc2)CCC1 1286824743 HTLJVKZBAJRASZ-IBGZPJMESA-N 478.640 1.972 30 10 JDEE Cc1cccc([C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)N2CCOCC2)c1 1289893268 GGOZEDLQHLGIIG-DYXWJJEUSA-N 489.646 1.866 30 10 JDEE CCc1nn(C)c(OC)c1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1292776794 BHVBPSMVYRNWLO-YCRPNKLZSA-N 461.592 1.663 30 10 JDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1300336642 MDUZIXNSMHIRAS-UHFFFAOYSA-N 452.563 1.751 30 10 JDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1300409262 QXVRRGTWBQKWEV-HXUWFJFHSA-N 450.543 1.543 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300487161 HDJVWACJELIVJZ-MSOLQXFVSA-N 491.618 1.609 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1300498023 FZYOPNUEEJUEOK-IRXDYDNUSA-N 461.554 1.988 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1300503860 GLRZVJSDKXFZPK-KRWDZBQOSA-N 460.556 1.407 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1300504765 RROOCJUSNIPYEX-MRXNPFEDSA-N 488.595 1.549 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1ccc(C)c(F)c1 1300650309 SQKQJWNMAMIQJX-UHFFFAOYSA-N 456.522 1.478 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCS(C)(=O)=O)CC1 1300711311 XLEAZWKZRJERCY-SFHVURJKSA-N 480.635 1.540 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCS(=O)(=O)N(C)C)CC1 1300718427 NWSUEDGKLYHKBN-UHFFFAOYSA-N 472.615 1.365 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](CNC(C)=O)C1 1300877748 ZIAWMSXTQUNPHE-NSHGMRRFSA-N 469.546 1.248 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nc(C)no2)CC1 1300973261 UTIMMYTZBBNWFJ-CQSZACIVSA-N 453.569 1.556 30 10 JDEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@H]1C)c1ccccc1 1301163052 GCXUNHKSZXZMTR-YQVWRLOYSA-N 460.604 1.915 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCNC(=O)OC(C)(C)C 1301296026 DERCFOBUPDYLPL-MRXNPFEDSA-N 472.612 1.538 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1301482812 CNOFTDPEFWWKPW-GDBMZVCRSA-N 459.348 1.725 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCn2cc(Br)cn2)C1 1301535753 ODBBUWSEDOUNBF-MRXNPFEDSA-N 464.368 1.955 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1301612010 UKXUJOMCYWBDPU-OALUTQOASA-N 495.675 1.877 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCOC2)c1 1358902160 GMDFLGKWNLZBSI-RTBURBONSA-N 471.583 1.663 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC2(O)CCOCC2)c1 1358903285 QVBOQPGDJPGBMB-UHFFFAOYSA-N 460.538 1.862 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1358966586 RRRFKWPJRWMCGH-IBGZPJMESA-N 462.620 1.829 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N1CCOCC1 1358969513 QOEUKNAKFLMUAB-MSOLQXFVSA-N 476.628 1.096 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNc1nccc(C(F)(F)F)n1 1359000555 YOGXRKBIRZGPKB-LBPRGKRZSA-N 460.486 1.269 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](OC)C2CC2)CC1 1359040474 WHTSXTVBJKDEMI-SFHVURJKSA-N 451.531 1.316 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCNC(=O)C2CCC2)CC1 1359046495 UEIJFOXWJCHNHS-UHFFFAOYSA-N 463.586 1.536 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1359084794 RSWWBHKQDTXOMF-OAGGEKHMSA-N 489.440 1.193 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](Cn3nc(C)nc3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1359306113 WAPKNLMQSNRRAH-YKSBVNFPSA-N 486.621 1.746 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1359333254 RTHFZFJETZZZIS-QZTJIDSGSA-N 482.603 1.914 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1359333940 OTGPSVWJRNGTDV-WBVHZDCISA-N 464.617 1.197 30 10 JDEE CC(=O)N1CCC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C#N)[C@H](c3ccccc3)C2)C1 1359368962 RQLSMNWBLRSGKB-GWWHBBDRSA-N 499.641 1.890 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCC(=O)N(C)C)C[C@@H]2C)CC1 1359399461 QMIIAKVBYAMUJI-WMZHIEFXSA-N 492.628 1.674 30 10 JDEE CC(C)CN1CCO[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)C1 1360034586 GANQJRJZOYLSPV-HXUWFJFHSA-N 460.604 1.654 30 10 JDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](c2cccc(OC)c2)N(C)C)CCOC1 1502728398 HRPHTTSNQFCXRY-YZUZCNPQSA-N 470.574 1.970 30 10 JDEE C[S@@](=O)C1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1505151828 GKUJJTIUNQDHEZ-BEIWTESXSA-N 463.585 1.379 30 10 JDEE N#C[C@]1(F)CCN(c2nnc(COc3ccc(F)cc3)n2CCNS(=O)(=O)Cc2ccon2)C1 1505317532 HNSTWYYIMBQRMJ-HXUWFJFHSA-N 493.496 1.546 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(C)CCCO2)c1 1507551375 XCFQKAIELVPKEP-JPYJTQIMSA-N 471.583 1.806 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1507626818 PTOSYSNSEFTEMT-AVRDEDQJSA-N 466.604 1.374 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1507633934 HHDFFPIGPVZLOM-LJQANCHMSA-N 485.566 1.687 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)C1CC1 1507641571 HPUITHBQXJNZOW-UHFFFAOYSA-N 453.572 1.146 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN(C(C)=O)C1 1507705443 DBYKRQFJQXIUSM-IBGZPJMESA-N 473.599 1.693 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1507710249 DQLONWKKPQFVRR-UFYCRDLUSA-N 497.662 1.538 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(O)CCOC2)CC1 1507735149 MBEHDSJVCZQLSA-DEOSSOPVSA-N 469.542 1.080 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(C(=O)NC)c2)CC1 1507738293 LTXSSBNVBVGDQJ-UHFFFAOYSA-N 458.526 1.109 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(=O)NC(C)C)CC1 1507740394 SBULRUFAAGXWPB-UHFFFAOYSA-N 462.558 1.007 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1507839613 UNTUUEVIRJOSCV-UHFFFAOYSA-N 484.582 1.598 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1507844701 NVTYEFKFRXCCAT-GJZGRUSLSA-N 479.525 1.278 30 10 JDEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507856241 GAIUDQXDOWXMCK-OAHLLOKOSA-N 474.008 1.571 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(CC)nn(C)c2OC)CC1 1507902001 HIZKJOSMMAVRFX-LJQANCHMSA-N 493.634 1.366 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)N2CCCCCC2)CC1 1507903281 RVHTUFWKJTUYNE-HXUWFJFHSA-N 494.662 1.806 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](Cc3noc(C)n3)C2)nnc1[C@]1(OCC)CCOC1 1508099062 UAVSGBVRDBJOPA-VGSWGCGISA-N 459.551 1.383 30 10 JDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)NCC)CC1 1508155332 MJCCDQMOMSTWLW-UHFFFAOYSA-N 461.592 1.183 30 10 JDEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1508155947 UEEJOACPAJJFSG-MRXNPFEDSA-N 455.544 1.464 30 10 JDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1516946713 HLARXWBNLIPNRX-SFTDATJTSA-N 478.601 1.680 30 10 JDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539176383 MUTYKGVGPMCMGM-KRWDZBQOSA-N 480.635 1.744 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1539211303 HFEPCBYVOXGJST-LJQANCHMSA-N 450.528 1.125 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1539220146 QCWZCAOXXJQUOP-QZTJIDSGSA-N 494.564 1.969 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)n1 1539424015 JECORRHLQMHHTD-UHFFFAOYSA-N 490.630 1.358 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(C(=O)NCC)CCC2)CC1 1539438042 LFLKCGJDUATRHB-UHFFFAOYSA-N 451.531 1.915 30 10 JDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1539454705 YPDDJEWMNNIRAI-UHFFFAOYSA-N 471.627 1.794 30 10 JDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1539510993 OZCPIPUQSLTZMV-GOSISDBHSA-N 489.671 1.909 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539622990 JLDBICZOQPCNPJ-FCHUYYIVSA-N 491.596 1.971 30 10 JDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1539799676 SVFBQVNJKYBSTN-HNNXBMFYSA-N 463.970 1.795 30 10 JDEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539928770 IAAXHMKCHYMCQX-INIZCTEOSA-N 456.522 1.746 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1540858029 CJOJAXXKQMSSRP-FXAWDEMLSA-N 476.603 1.521 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSc2c([nH]c3ccccc23)C1 1540862945 MFZFLFRWBWFQRV-CQSZACIVSA-N 489.627 1.784 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)Cc1cnn(C)c1 1540864541 CZTHSCQDMKJTPW-UHFFFAOYSA-N 457.560 1.411 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1540903290 AXXRFDGJVBDTIZ-LJQANCHMSA-N 494.687 1.783 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1540907710 FWERAVZQXIZMSB-VQTJNVASSA-N 494.662 1.253 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1541801674 ANOXTAPVJJJKQH-UIFIKXQLSA-N 451.575 1.973 30 10 JDEE CCc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)o1 1546361576 FGRPGCICIIFMKO-UHFFFAOYSA-N 455.544 1.806 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)CC1 1552742064 CIHMIAHDYHPXBF-UHFFFAOYSA-N 497.991 1.489 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1588025126 SSIFDQFVCVDUGZ-HXUWFJFHSA-N 485.610 1.782 30 10 JDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC1CC1 1588025263 WTORBDXRDSHDLY-CALCHBBNSA-N 451.593 1.943 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588025405 YSMSFSRBCOTUJA-GOSISDBHSA-N 457.556 1.220 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1588044676 AMYGRSWDRBLNDK-HXUWFJFHSA-N 475.578 1.953 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1588065412 YGQLTTMICPTWTL-NHCUHLMSSA-N 456.616 1.765 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN(CC)S(C)(=O)=O 1588138469 DFOLTPBPRQSXAA-HXUWFJFHSA-N 457.556 1.535 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1c(C)noc1C 1588233499 JOPHXRLBZFSWRN-QFBILLFUSA-N 474.587 1.482 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2nnn(C)n2)CC1 1588780047 FVIJBSDUPJRABS-UHFFFAOYSA-N 460.315 1.174 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(COC)CCC2)CC1 1588961831 NLNUNIOGKDGCKL-UHFFFAOYSA-N 453.591 1.922 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1589481731 BVPUCPXXHNIGBZ-ZRNYENFQSA-N 476.622 1.765 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(COC)CCOCC2)CC1 1594097291 PYWARWJASAIBGE-GOSISDBHSA-N 469.608 1.211 30 10 JDEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)C(=O)C1)c1ccccc1 1594544275 HZYUSBRAGVQWAS-RTWAWAEBSA-N 487.626 1.835 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CN2CCCC2=O)cc1 1594963650 WDGGCFWVNCPVPP-HXUWFJFHSA-N 488.614 1.404 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1595517199 SMMZMPABGVWTKY-UHFFFAOYSA-N 464.574 1.109 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2csc(CC)n2)C1 1595730072 SXISDTFBVICMKX-SJORKVTESA-N 482.632 1.460 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(c2cnn(CC)c2)CC1 1595784640 KIDKQZCEWGJAPJ-UHFFFAOYSA-N 458.592 1.880 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1595822661 IMXWOCJTVDULIL-ICSRJNTNSA-N 473.599 1.790 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1ccnc(OC2CCOCC2)c1 1596840119 BJKITRZZXQAXHS-KRWDZBQOSA-N 453.547 1.997 30 10 JDEE C#C[C@H](NC(=O)CS[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)[C@@H]1CCCO1 1616963164 CIKMGSUZWXIKKH-NEWSRXKRSA-N 456.568 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C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1689998302 INFOEILMMWANDZ-UXLLHSPISA-N 484.529 1.269 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(Cl)cccc1OC 1690077575 RQATWPNNVYJCEF-GOSISDBHSA-N 467.979 1.781 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ncccc1N(C)C 1690100890 GSKRBSSQOCINIZ-UHFFFAOYSA-N 472.553 1.787 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[C@@H]2CC)CC1 1690136241 CFTKQYYYWJOEER-LNLFQRSKSA-N 464.636 1.680 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(OC)CCCC2)CC1 1690137599 DMASPZZQVOZVPR-DEOSSOPVSA-N 459.591 1.855 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@](C)(O)CCOC)CC1 1690145914 ARQXUPVTVSYTRO-OFVILXPXSA-N 483.569 1.544 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@H](COC)OC)CC1 1690146703 URRULYFEDBPFNA-NQIIRXRSSA-N 469.542 1.418 30 10 JDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690156349 VSOMMOVZTPCSMS-UHFFFAOYSA-N 458.592 1.150 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1F 1690175177 QZDFZZRRESXYKK-SFHVURJKSA-N 467.592 1.753 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690190029 JNVSBEOVLBXDIS-RYLXDESZSA-N 498.675 1.085 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 1690278929 WFTWDMFFAOHULY-SFHVURJKSA-N 462.620 1.928 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1690411965 ZBDFWPWCBIKGBT-RTWAWAEBSA-N 496.678 1.370 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690662148 SOPJQJVHOFZNDG-YPMHNXCESA-N 464.324 1.273 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)COC)CC1 1690663335 SSIWTAXBQVGNFB-UHFFFAOYSA-N 477.363 1.305 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1690669864 QUFTWDGZXDLCOT-UHFFFAOYSA-N 473.534 1.365 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1690692040 PZRWGMKJYDDIAQ-KXBFYZLASA-N 453.952 1.324 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2csc(C)n2)CC1 1690714295 JIBCZIAQMJXOGU-UHFFFAOYSA-N 493.659 1.202 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1690715886 XGPRDWRHHOANHX-DLBZAZTESA-N 459.638 1.397 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)OC)CC1 1690729052 FPURAXAFTJWZKA-UHFFFAOYSA-N 479.559 1.355 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1705558591 CEAYNADNLRWDOU-IPMKNSEASA-N 461.588 1.122 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCOC1 1705623107 GURQAUOZQDCXAO-GOSISDBHSA-N 461.588 1.708 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccccc2CN2CC[C@@H](O)C2)CC1 1705631848 BKGTUALVUXSTLN-XMMPIXPASA-N 493.656 1.567 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCNC(=O)c2ccco2)CC1 1705634105 JPPJNQQHPVTATM-UHFFFAOYSA-N 486.374 1.824 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@](C)(O)c2ccccc2)CC1 1705648383 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C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC(C)(C)C1 1722355035 OJMQUJGNBZQGDD-GOSISDBHSA-N 462.595 1.767 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1722363122 DEYJZZNBMFQIBT-CQSZACIVSA-N 470.393 1.823 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1722363253 DWXQZOGSXGYQFN-LEWJYISDSA-N 457.600 1.973 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1722364709 IWNKRMLFFQMCEL-AVRDEDQJSA-N 476.624 1.372 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCN2CCC(O)CC2)CC1 1722428931 CYECTFOCBRPHIG-UHFFFAOYSA-N 479.629 1.749 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C)N(C)C)CC1 1722437390 MFMGSSHFHLUATM-OALUTQOASA-N 461.611 1.292 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC2(O)CCOCC2)CC1 1722443471 JWHRKDYIMLNSFJ-UHFFFAOYSA-N 497.596 1.860 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1722447265 GZPMWTJJHSWNHI-MOPGFXCFSA-N 498.550 1.749 30 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460.604 1.421 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)c2ccc(C)cc2)CC1 1740695978 IKKJGGOPWKVKLJ-IFMALSPDSA-N 486.642 1.478 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCCN2CCC[C@@H]2CO)CC1 1740704798 UKQZKSMHZRSLCW-JOCHJYFZSA-N 465.602 1.543 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)c(OC)c2)CC1 1740825626 QCQYOOWMJUSIDF-HXUWFJFHSA-N 477.587 1.833 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)n(C)c2=O)CC1 1740839082 FXSQVHWURXDEPS-LJQANCHMSA-N 476.603 1.069 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C)(C#N)CC1 1740953374 DHHBENMZBDAAKF-UHFFFAOYSA-N 471.587 1.628 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1740955506 WMCDNRFBPMKXHQ-DENIHFKCSA-N 465.602 1.626 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740992622 RXDFXIODAVNVRQ-QGZVFWFLSA-N 489.664 1.023 30 10 JDEE CC(C)Cc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCS(=O)(=O)N(C)C 1741474364 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C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1507660458 UPLIDZVEIVDYEY-GGAORHGYSA-N 498.653 1.642 30 10 JDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCCS1(=O)=O 1507703934 JSRBYBCBXKWYLB-WIYYLYMNSA-N 454.593 1.372 30 10 JDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCNC(=O)c2cccc(O)c2)CC1 1507726726 DIQDZPYHBOZQJF-UHFFFAOYSA-N 479.610 1.915 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1507740472 AKKDETLCPQKYIF-UHFFFAOYSA-N 487.674 1.405 30 10 JDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1507829914 JTHYQTSBVNVGFQ-UHFFFAOYSA-N 480.591 1.459 30 10 JDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1507841235 XPAPDNZPPLOPRT-UHFFFAOYSA-N 466.546 1.990 30 10 JDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1507945113 BYNCJGOWTBOMCU-OAHLLOKOSA-N 452.606 1.828 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)[C@H](C)C1 1508071276 AKJCHXANRDILLQ-GFCCVEGCSA-N 450.341 1.015 30 10 JDEE 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483.635 1.453 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@]1(OC(C)C)CCOC1 1760328312 UEUBOHUIGBJGSL-PTLVVNQVSA-N 477.606 1.595 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760518082 IFVHJMCMDLWYFK-QGZVFWFLSA-N 477.587 1.666 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1760552943 GWFZTHCYNAKIOV-WBVHZDCISA-N 450.561 1.770 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)nnc1C(C)(C)C 1760558570 SNRTYWDYEWFZTN-FQEVSTJZSA-N 482.695 1.408 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)Cc1ccc(F)cc1 1761362403 BWLHRPKFMIDHFL-YLJYHZDGSA-N 493.609 1.620 30 10 JDEE CCOCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1766191840 IEENAPDWHHOBON-GOSISDBHSA-N 476.603 1.987 30 10 JDEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(NC[C@H](c3ccc(O)cc3)N(C)C)ncnc21 1875231323 JFVQECSFFQFPRY-OAQYLSRUSA-N 468.558 1.465 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CO1 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CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](C)[C@@H](NC(=O)C(F)(F)F)C2)n1 2282588057 CUCOBLUAFFBBKU-JSGCOSHPSA-N 458.290 1.731 30 10 JDEE Cn1nc(C(=O)N2CCN(CCNC(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2282617323 GAXLPUYVWXSEKC-UHFFFAOYSA-N 463.388 1.002 30 10 JDEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@H](C)C1NC(=O)OC(C)(C)C 2282698797 FATHRWWFGUWVMN-KBPBESRZSA-N 463.388 1.736 30 10 JDEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C(C)(C)CN1C(=O)OC(C)(C)C 2282699922 MIPDXHJPURFJPD-CQSZACIVSA-N 463.388 1.974 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 2285201994 HLRHPCWLCHRAQJ-IAGOWNOFSA-N 461.368 1.789 30 10 JDEE O=c1c(Br)c(NN=Cc2ccc([N+](=O)[O-])cc2)cnn1[C@@H]1CCS(=O)(=O)C1 2322659783 KFSOQJHBCRSYKO-GFCCVEGCSA-N 456.278 1.720 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2COC[C@@H]21 2362357402 NNQNLQMWPQXQMA-LSDHHAIUSA-N 462.356 1.180 30 10 JDEE Cc1ccc(S(=O)(=O)/N=C2\C=C3N(CCO)CCO[C@@]3(O)c3ccccc32)cc1[N+](=O)[O-] 8834655 ORHZHCUDDZHFDW-VUZMPXBXSA-N 459.480 1.448 30 10 JDEE C=CCn1c(=O)c2ccc(C(=O)NCC(C)C)cc2n2c(=O)n(CC(=O)NC3CCCC3)nc12 35481509 CSWWEIVCVAJWSQ-UHFFFAOYSA-N 466.542 1.442 30 10 JDEE C=CCN1C(=O)N[C@@H](c2ccccc2Cl)C2=C1CN(CC(=O)N1CCN(C(C)=O)CC1)C2=O 35965372 XCMYUKFQBIUTFV-NRFANRHFSA-N 471.945 1.379 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1Cc1ccccc1 520335019 HNGHMGZYQZHASA-UHFFFAOYSA-N 475.570 1.789 30 10 JDEE COc1ccc(N2NOC(=O)/C2=C/C(=NC(=O)c2ccccc2)C(=O)NCCN(C)C)cc1 585673346 BGDWFYUXACQCSN-UKOUMKBMSA-N 451.483 1.321 30 10 JDEE C#Cc1cccc(NC(=O)N2CCN(S(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)CC2)c1 916673456 HYXLVDZOPXAVJS-UHFFFAOYSA-N 461.565 1.918 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)CC1 1215242121 YHQKZAQXSMUOSG-UHFFFAOYSA-N 456.590 1.017 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC(C)(C)C(=O)NCC)c1 1286310181 XJEIRXDRFSIYRA-UHFFFAOYSA-N 479.585 1.733 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cnn(C)c2)CC1 1286321750 AMGYURZGWDSXHV-FQEVSTJZSA-N 475.619 1.532 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1286381625 NTSHVUROSXLPTQ-LJQANCHMSA-N 494.577 1.803 30 10 JDEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1286538068 HRKQIKNNKUDMAV-LBPRGKRZSA-N 458.320 1.412 30 10 JDEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286608841 USPMXJYUGPKXPO-NRFANRHFSA-N 498.584 1.557 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1286779129 OEDPIDIFDJZHQR-FQEVSTJZSA-N 465.602 1.917 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H](C(N)=O)C1 1286780451 UFUCAYDTDNLQCL-LBPRGKRZSA-N 465.327 1.851 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1286789600 VEJHQHRJUGGMOJ-UHFFFAOYSA-N 496.547 1.367 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCSC2(C)C)C1 1286810309 PMDFTZYRBNZRSW-KURKYZTESA-N 485.676 1.924 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286821167 CLLBTMYLMGGUMM-GOSISDBHSA-N 452.602 1.401 30 10 JDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1286826340 DZNWELFWYYVOGD-SFHVURJKSA-N 494.643 1.066 30 10 JDEE Cc1ccc(S(=O)(=O)NCCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)s1 1289855253 ANCZYCZPZCHLQW-INIZCTEOSA-N 499.622 1.832 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1292890422 YKYUTPGWYYFFSG-UHFFFAOYSA-N 458.360 1.041 30 10 JDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H](C(C)C)N2CCOCC2)CCOC1 1296603973 BKBIJWHHWJCHSI-STZQEDGTSA-N 450.559 1.729 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCN(c2ccncc2)CC1 1300267607 HZWHTHJZMHZLHB-HXUWFJFHSA-N 450.591 1.579 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(CCC)CC1 1300309633 ICCFATIUXNYROR-PKOBYXMFSA-N 452.625 1.191 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccnc(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1300488077 ONJAZRGGJFAPHF-INIZCTEOSA-N 476.509 1.955 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1300488996 YLVVSDMQBWYTNJ-OALUTQOASA-N 456.572 1.225 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1300498166 ICVAGWDRNRRTLD-ONTIZHBOSA-N 488.610 1.556 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC[C@H]1CO 1300579258 OKZBIUPQXGMBTC-GOTSBHOMSA-N 460.582 1.697 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCOC2)CC1 1300718832 GJQAQYQFNIIQLC-QGZVFWFLSA-N 453.543 1.965 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2Cc2ncn(C)n2)CC1 1300731662 RWZMLTVKBRBMLM-UHFFFAOYSA-N 464.530 1.008 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-n2ccnc2)c(F)c1 1301297773 VNVGONWOGWZCPY-LJQANCHMSA-N 475.550 1.606 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1301478921 RAIQFQNWJWCBHG-UHFFFAOYSA-N 459.526 1.193 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1301510352 VBNUHNQIWGHBQB-QHCPKHFHSA-N 484.557 1.809 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1301576655 XLCULAXWQIDADD-HSZRJFAPSA-N 481.582 1.903 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1301584538 BNXXPAKMGUNSBE-SJORKVTESA-N 496.634 1.523 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1301587158 REOGQAPEMUIAIF-JOCHJYFZSA-N 471.587 1.080 30 10 JDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1303627072 CSRBFXSPJCSMSV-CVEARBPZSA-N 480.616 1.368 30 10 JDEE C#CCN1CCN(C(=O)CSc2nc3ccccc3c(=O)n2CCCCCC(N)=O)CC1 1307278499 FBCQYAIAYICAEN-UHFFFAOYSA-N 455.584 1.312 30 10 JDEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1 1314022483 ALYCEKOWAMMZOE-UHFFFAOYSA-N 497.556 1.256 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(=O)(=O)CC 1358875655 UESDRVLHMPWBES-CQSZACIVSA-N 452.606 1.439 30 10 JDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCN(Cc2ccccc2)CC1 1358940354 VRKPFBMYGSIWHR-VWLOTQADSA-N 452.603 1.817 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCC(=O)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358960552 HAYRIRSIWIYUPI-IBGZPJMESA-N 466.567 1.939 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358962817 XRSGJBMIZSWBJL-NHCUHLMSSA-N 484.626 1.378 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1conc1COC 1358979801 YEMAUEGGVYYNAL-IBGZPJMESA-N 470.530 1.842 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(F)F 1358994015 BUUVVVRACMPNDQ-LJQANCHMSA-N 493.536 1.724 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1359056839 MJMLKTCAXYEQSC-IEBWSBKVSA-N 481.688 1.924 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1359150727 FJCSNBCCEBUPRR-MRXNPFEDSA-N 491.014 1.421 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncc(F)cn2)CC1 1359183392 KCKOGKFCSPPLPM-OAHLLOKOSA-N 466.587 1.746 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1-n1cccn1 1359272103 KYLMKILFVTZZBG-IBGZPJMESA-N 484.586 1.418 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1359280903 IRXIHLURAMAOSR-HKUYNNGSSA-N 455.563 1.536 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ncn(-c3ccccc3)n2)C1 1359312755 AIKYCKRQIMMEQL-FUHWJXTLSA-N 472.575 1.299 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1359343453 TYULSNITNZPJRJ-IAGOWNOFSA-N 456.634 1.874 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccnc(OC2CCOCC2)c1 1360671452 GIMTYLNVNDVKMX-MRXNPFEDSA-N 489.602 1.629 30 10 JDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 1449538830 GSTJQSULHHKUTD-SJKOYZFVSA-N 457.430 1.973 30 10 JDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN[C@@H](C)c3cccc(C#N)c3)CC2)cc1 1460746141 BKTSBPOJISSYSW-KRWDZBQOSA-N 454.552 1.945 30 10 JDEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H]1CC[C@H](C#N)C1 1469272280 HBAKSQFLBODWPB-WOSRLPQWSA-N 456.362 1.791 30 10 JDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN([C@@]3(C(=O)OC)CCOC3)CC2)cc1 1476041809 OMFVJAGEUKVZKC-DEOSSOPVSA-N 456.543 1.982 30 10 JDEE N#Cc1nc(NC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)ccc1Br 1476945489 AWPUMOIUDHGUDG-UHFFFAOYSA-N 455.294 1.383 30 10 JDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCOC[C@H]1C 1503237263 HYPBGGVJAYIFTO-MSOLQXFVSA-N 460.604 1.797 30 10 JDEE COCCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1504740104 FOOUFHCMWHWWMG-UHFFFAOYSA-N 495.628 1.860 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1cccc(C#C)c1 1507564833 XQBCXWKDHZCJQQ-NRFANRHFSA-N 498.609 1.471 30 10 JDEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1507943749 GVQALNHREWCCKM-UHFFFAOYSA-N 464.574 1.940 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1508074508 QNWBDRKPXRRXMU-UHFFFAOYSA-N 483.573 1.649 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1508130031 GDVOVTSVWVOIQZ-LJQANCHMSA-N 474.631 1.728 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCCN(C(C)=O)CC1 1508142386 CUSVNNVAIJCBSU-UHFFFAOYSA-N 461.588 1.825 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1508160861 XXDNWAGSRIYKCB-INIZCTEOSA-N 456.638 1.399 30 10 JDEE CCc1cnc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)s1 1513720835 FUTPNJZVDRGKIO-KSSFIOAISA-N 469.568 1.120 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-n2ccnc2C)nc1 1539013866 KJFXGCAAGPYIJP-VQIMIIECSA-N 484.586 1.006 30 10 JDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1539124448 GKNIKIGIBVFMTH-ZWKOTPCHSA-N 496.634 1.518 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1539200562 KUWGHIWKZYWSFV-CABCVRRESA-N 477.509 1.108 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1539216061 NCGMMOKUKILBCV-HXUWFJFHSA-N 453.572 1.952 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 1539219049 GNIPOHPMHTUPJV-IBGZPJMESA-N 485.541 1.544 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1noc(CC)n1 1539350727 XARZYEHXMBFHOZ-UHFFFAOYSA-N 457.560 1.843 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCOC1=O 1539416953 WENYRVLUNPKHED-GOSISDBHSA-N 492.577 1.515 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2COCCO2)CC1 1539489797 XVBMPFMKEGDTLF-HXUWFJFHSA-N 457.506 1.377 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@](=O)C(C)(C)C)C1CC1 1540110070 YUDRLNKNZJXPIY-BCOMRZATSA-N 459.638 1.313 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1540861669 BCOFMTMITPTATI-UHFFFAOYSA-N 482.932 1.956 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([C@H]2CCOC2)CC1 1540864958 PZWQBMFZHHQNSB-IBGZPJMESA-N 473.599 1.904 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1540869678 UJJYVBPKJFXKKY-CALCHBBNSA-N 480.573 1.442 30 10 JDEE C=CCNC(=O)Cn1c(N2CCc3c(ccnc3N(C)C)C2)nnc1[C@]1(OCC)CCOC1 1540876040 FVWBEXHUSBZPCW-QHCPKHFHSA-N 455.563 1.256 30 10 JDEE CC(=O)N1CCCN(c2nnc(COc3cccc(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1540969022 JJLZQEWZVFMIET-WCWDXBQESA-N 493.568 1.751 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2cccnc2S[C@@H](C)C(=O)N2CCCC2)CC1 1542894903 QTVXAKYFUMQWFY-SFHVURJKSA-N 457.600 1.082 30 10 JDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1555205786 BCGAGCWADMUJLX-UHFFFAOYSA-N 486.598 1.515 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)c1 1556199779 VJYCUPBINIBDIQ-UHFFFAOYSA-N 456.568 1.749 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCOCC1(C)C 1588473822 WAZSXRNDSUXUGM-SFHVURJKSA-N 492.621 1.778 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588619822 GQAQEQNAEAHRHA-MOPGFXCFSA-N 460.604 1.574 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-c1cnn(C)c1 1588646955 QCKUKWGLSZHVOG-LJQANCHMSA-N 468.583 1.715 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCN2C(=O)NC3(CCCC3)C2=O)CC1 1588884444 AQTPOVBFXOGQTN-UHFFFAOYSA-N 469.590 1.622 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCCCC2=O)CC1 1593883987 ACRUZZGFCRWCNX-KRWDZBQOSA-N 487.026 1.345 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1595594158 LLIUASBCMCPGFK-UHFFFAOYSA-N 485.035 1.608 30 10 JDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCO2 1619912388 BIOOGNVVOURUSX-QGZVFWFLSA-N 461.544 1.366 30 10 JDEE CS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1620165553 DVSBCFWBIDSMLT-UHFFFAOYSA-N 465.583 1.897 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)cc1 1640287955 ITZWUSWCHNOKSL-NVXWUHKLSA-N 466.503 1.733 30 10 JDEE C#CCN(C)CCCNC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C 1641720417 RVQWPQYDTKZGLW-UHFFFAOYSA-N 459.616 1.752 30 10 JDEE C#CCN(Cc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1)[C@H]1CCOc2ccc(Br)cc21 1657339203 GVYKSMOAPNPQJA-AWEZNQCLSA-N 458.316 1.682 30 10 JDEE C=CCN(C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)[C@@H]1CCS(=O)(=O)C1 1658485888 JBWHNYIAKZXBIJ-AXNLMSORSA-N 454.574 1.706 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2ccccc2S(N)(=O)=O)cc1 1667321562 ADKGVHUVIOZICI-UHFFFAOYSA-N 452.558 1.804 30 10 JDEE CC(=O)N1CCc2ccc(S(=O)(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)cc2CC1 1668035416 AGIYTRAXVZJZLP-MRXNPFEDSA-N 454.556 1.195 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1 1673393114 LGXNYTOFGYGDGH-RBUKOAKNSA-N 457.556 1.875 30 10 JDEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)NCC#C[C@@H]3CCCCO3)cc2)CC1 1676871401 ZKWPTNLHKBQNDG-QHCPKHFHSA-N 456.587 1.644 30 10 JDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1682841994 LCGJSBRZXBZQRU-UHFFFAOYSA-N 450.536 1.939 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689992093 HILMRJZNMSZUKT-UXHICEINSA-N 468.583 1.787 30 10 JDEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690275979 BFFKJJNDLWZCBJ-QGZVFWFLSA-N 495.675 1.888 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1690312733 BJEFLNIELNNJAX-ROUUACIJSA-N 453.609 1.516 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2CC1 1690508697 NGAHSBJINZWBDC-OAQYLSRUSA-N 475.615 1.809 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)C1CC1 1690544812 BQRUPUDFPDOTJU-WMZOPIPTSA-N 498.650 1.927 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cncn1 1690560683 YSIBOYJTPZMESU-IBGZPJMESA-N 452.544 1.536 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCS[C@H](C)C1 1690668816 KGJLRPSUQLWSHU-OAHLLOKOSA-N 453.572 1.919 30 10 JDEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCNS(C)(=O)=O)cc1 1691045339 CESJRZFMGQCEOD-GOSISDBHSA-N 462.576 1.433 30 10 JDEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)C1 1692852784 HDENIFVWMBCHAU-CYFREDJKSA-N 467.574 1.277 30 10 JDEE Cc1ccc(OCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cc1 1693155896 BHLHOCUSZINDRY-MJGOQNOKSA-N 462.576 1.594 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CC1(CS(C)(=O)=O)CC1 1693745557 FXKQBWLKPNHLGF-INIZCTEOSA-N 472.619 1.777 30 10 JDEE CCCNC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1695427854 DTPAYGXXBKSMIU-UHFFFAOYSA-N 465.537 1.932 30 10 JDEE CO[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)c1ccccc1 1697170076 BHSPPOPVSSUYEN-PMACEKPBSA-N 474.587 1.739 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1705493108 CHBRFILXSFMYNY-ADHGMGHFSA-N 458.563 1.712 30 10 JDEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1705525343 FJXYZNDJLWAOBN-FQEVSTJZSA-N 476.585 1.700 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705559580 CZHVGLQEUQHTIG-IAGOWNOFSA-N 460.560 1.223 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 1705564408 BZWLCRCPVISCIH-SJORKVTESA-N 450.511 1.930 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705565804 KHLHNPRRGUWNMW-NJYVYQBISA-N 479.647 1.156 30 10 JDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cnn(C)c1 1705600803 MRLWFUMESGICJC-UHFFFAOYSA-N 456.598 1.888 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(O)CCSC2)CC1 1705633862 ABZMYUKTEYDQOI-GOSISDBHSA-N 451.394 1.659 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCN2CCOC[C@@H]2C)CC1 1705643675 ONSXWZAMJHEVOH-PCCBWWKXSA-N 487.649 1.525 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@H](COC)OC)CC1 1705651486 YLHKHRVJCRLSHB-OAQYLSRUSA-N 464.570 1.908 30 10 JDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705659348 SOCUDZDXZNEYDN-CQSZACIVSA-N 451.574 1.386 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N1CCOCC1 1705714736 ZNRBWHMADINEIJ-UHFFFAOYSA-N 461.592 1.499 30 10 JDEE C=C(C)COCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705731009 QPQSXYGHAUEBMM-AEFFLSMTSA-N 472.521 1.297 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 1705731402 VFJQYNCGDPBJKA-FYQPLNBISA-N 466.652 1.792 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1705735586 BEYGBOLXXIYPHE-SFHVURJKSA-N 452.515 1.554 30 10 JDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1)C1CC1 1705849406 LRAFEQSOUQYMCO-IRXDYDNUSA-N 475.619 1.712 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCN(C)C1 1705857783 LJYIAJJVJBZFNH-VGOFRKELSA-N 473.603 1.019 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1705894095 LXHPHPRXDDPEDB-UHFFFAOYSA-N 479.585 1.524 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(F)(F)F 1705933883 UWBYYENUWVTFCJ-UHFFFAOYSA-N 456.454 1.520 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1705937557 XMTILQIGFJJVEQ-QFIPXVFZSA-N 461.588 1.639 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](C#N)C1 1710887381 HHKQBBRPJJXTPA-IBGZPJMESA-N 462.576 1.566 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](N2CCCC2)C1 1722333280 URYLQAASDVSPQU-RBUKOAKNSA-N 450.609 1.089 30 10 JDEE 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1.900 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1301338162 RSRIWXWDZHBZPA-XMSQKQJNSA-N 462.572 1.533 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CF 1301412650 HAJWINRPMHNTMZ-JQHSSLGASA-N 453.540 1.970 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C3CCC3)C[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1301518513 IGHRGQIUJKIUCY-CYFREDJKSA-N 460.623 1.932 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)Cc2ccccc2)C1 1301534570 CCYNZUTWNSEYAR-HXUWFJFHSA-N 473.599 1.910 30 10 JDEE CO[C@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)C 1315744860 DFFJXTSXTKMGIV-ICSRJNTNSA-N 456.547 1.741 30 10 JDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1358939929 KBTKTOCEIZKISN-VZYOYLOZSA-N 461.607 1.658 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358956885 LXXQVJSPKOZDSQ-VIZSFHNOSA-N 479.647 1.431 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1358959865 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C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1359291816 CEOSQZQMGSFLFK-MRXNPFEDSA-N 474.949 1.553 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1359297800 CEABATPIIUJMKN-SFHVURJKSA-N 460.542 1.684 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359305262 XTKDINFAKVTEKO-MRXNPFEDSA-N 451.524 1.312 30 10 JDEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359344705 GORLRSNLMOZYOP-IBGZPJMESA-N 455.588 1.777 30 10 JDEE CC(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1359665611 CVWGSJVFUMUJNJ-IAGOWNOFSA-N 461.567 1.679 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507626792 OQXWFFDAFKRQCE-TXBYWVTISA-N 490.582 1.129 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1507628544 PCTGTCXJCIROEB-IBGZPJMESA-N 498.996 1.962 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1507637145 IFRCFPJRLMKFAZ-MUGJNUQGSA-N 465.620 1.113 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1507639150 JNZLPUPJJBNGPJ-LJQANCHMSA-N 454.556 1.758 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507709143 SGQHTABSYVEBLI-QUCCMNQESA-N 458.588 1.630 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(N(C)C)CCSC2)CC1 1507725890 BXZGTXVVTICBTO-DEOSSOPVSA-N 465.627 1.921 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)nc1 1507765044 QJALWSWRGUEAKP-HTAPYJJXSA-N 473.603 1.160 30 10 JDEE C=CC1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCS(=O)(=O)NC)CC1 1507903873 MYKUTSQCVJVGSK-UHFFFAOYSA-N 460.608 1.404 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(F)cn2)CC1 1508089494 BRKBIJPFWYTXDG-UHFFFAOYSA-N 453.526 1.303 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(N(C)C)CCSC2)C1 1508124847 MUGWDGPOGVZRMX-QKLQHJQFSA-N 455.650 1.399 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1508201585 XEZQATFTPIQYFA-VEGAHXMMSA-N 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C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCn1cc(CO)nn1 1588258912 MNHZYGARBAUXHA-FQEVSTJZSA-N 482.589 1.987 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 1588647555 WXGPHEFBRNXYNK-MOPGFXCFSA-N 463.579 1.894 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@@](C)(O)CCOC)CC1 1588805840 CBIOZCDIUOFYGQ-VWLOTQADSA-N 479.585 1.218 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1588913352 HYVNRZPXOLBGRE-FQEVSTJZSA-N 464.570 1.834 30 10 JDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1589053675 RXOLCFYOFLEBFH-UHFFFAOYSA-N 487.586 1.752 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1589070027 PYFXDXFRXPPJCT-SJORKVTESA-N 453.634 1.289 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1589545284 MWIASYNLVXEYHT-NMLBUPMWSA-N 479.647 1.855 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccnc2OCCOC)CC1 1594013312 FFSLKPXCJKJCHK-INIZCTEOSA-N 450.565 1.513 30 10 JDEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1594461010 HKFADKJDBQELFK-QGZVFWFLSA-N 453.503 1.603 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO1 1595100261 PCYZEZQUHDGKIA-RTWAWAEBSA-N 486.598 1.854 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@@H]1C 1595261160 OLEQDRTWBCEQBK-RBUKOAKNSA-N 463.604 1.729 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C(F)(F)C12CCC2 1595302724 CYCWHFRDRMKEOZ-CVEARBPZSA-N 475.562 1.685 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](N2CCCC2=O)C1 1595490439 RMKMAGHMFUPDDT-OAHLLOKOSA-N 476.379 1.549 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccccc2C1 1595798038 LRSBCAJPQSQYRT-GOSISDBHSA-N 450.586 1.344 30 10 JDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1595879013 UFUAQLIJSNMOMS-MRXNPFEDSA-N 458.592 1.582 30 10 JDEE C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1)N(C)C 1611582670 CJHXUMJCWGTDSK-PKOBYXMFSA-N 457.604 1.329 30 10 JDEE N#Cc1ccc(N2CCN(C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)CC2)c(Cl)c1 1623152648 BSAIUXAMBGABBP-UHFFFAOYSA-N 457.922 1.621 30 10 JDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)c1 1642564004 NSLRKVQYSCKFSZ-OAQYLSRUSA-N 453.930 1.814 30 10 JDEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)CN2C(=O)c3ccc(Cl)cc3S2(=O)=O)CC1 1652835118 GZVSSTOWTOWOAP-SFHVURJKSA-N 458.927 1.894 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2COC)cc1 1653549071 VMVZJOCQEJYQPD-QGZVFWFLSA-N 451.545 1.306 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)CC1 1681045247 WVPZPDGKBKNHED-UHFFFAOYSA-N 453.977 1.758 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1689869044 ZGSZIQYFDBHUFB-GOSISDBHSA-N 458.588 1.739 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1689983515 CQMPKJHVFITPCM-GOSISDBHSA-N 454.556 1.216 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1689993517 GCLVKTKNBLBJJO-FHWLQOOXSA-N 464.613 1.609 30 10 JDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCN(C)C1 1690052680 OQQDRVKUZQFRMR-MHZLTWQESA-N 475.641 1.172 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc(Br)n2)CC1 1690112422 XQWFHCLAGUMBNL-INIZCTEOSA-N 463.380 1.963 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)CN2CCOCC2)CC1 1690132841 YHCONQHSZUGERP-NRFANRHFSA-N 463.586 1.452 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H](C)N2CCCCC2)CC1 1690144116 MGHLOZHJVRWAQW-ICSRJNTNSA-N 455.607 1.460 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccnc(C)n2)CC1 1690155025 CVHIZPDHTYKRHR-UHFFFAOYSA-N 463.571 1.717 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1690155938 QDRJKSQTCLIPKD-UHFFFAOYSA-N 455.588 1.987 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1690155944 QHHVGOAVBAKGEP-HNNXBMFYSA-N 484.051 1.630 30 10 JDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1690170062 XYWBACRVMOEHQS-UHFFFAOYSA-N 464.555 1.643 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1690664256 MPNIBJRQPYMXCQ-INIZCTEOSA-N 469.937 1.433 30 10 JDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1690674272 VJRJAKXWAMLITM-UHFFFAOYSA-N 456.522 1.400 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOC[C@H]2C)cc1 1690680483 STKPDFPQDVKCNE-YLJYHZDGSA-N 477.587 1.449 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](N2CCCCC2)C1 1690714593 PQINPBWKVOHBNT-GOSISDBHSA-N 473.603 1.591 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1690726584 FNAFLCFQYNHHER-HKUYNNGSSA-N 458.588 1.979 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1690730184 ZLWJSQUGRUOBFJ-KRWDZBQOSA-N 477.591 1.152 30 10 JDEE CC(C)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1692569856 AMGUBBHBRHHBRJ-XMMPIXPASA-N 453.591 1.762 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](C)N1CCc2ccccc21 1692780443 FHYSZMITMCGCIQ-QYWGDWMGSA-N 461.567 1.781 30 10 JDEE C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CCC(N)=O)CC1 1693856136 AVSAUBFJOYOCMG-IBGZPJMESA-N 481.601 1.931 30 10 JDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCSC2(CCOCC2)C1 1697025181 CTPKEJLWGJYWES-UHFFFAOYSA-N 492.627 1.380 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNS(=O)(=O)CC 1705505183 HIIGZNARNBGSQE-CVEARBPZSA-N 454.597 1.747 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCCN1CCCC)[C@@H]1CCS(=O)(=O)C1 1705559243 VQHZLIIVFSWVMA-NHCUHLMSSA-N 490.674 1.795 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1705560568 IDTPVORSQFTDAJ-NFBKMPQASA-N 490.630 1.461 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705567854 AXDJQFZWCFDEFY-JKSUJKDBSA-N 461.613 1.942 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(OC)CCOC1 1705580125 DLDVUNOCXWCMDY-VWLOTQADSA-N 460.538 1.943 30 10 JDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CCS(=O)(=O)CC1 1705611135 QUMAXVQROVSIJM-UHFFFAOYSA-N 464.617 1.523 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCOC[C@@H]2CCCO2)CC1 1705633977 DNZSKXRAKDGAQJ-NRFANRHFSA-N 487.626 1.690 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1705642572 YOWJCEAVZDZNQO-IBGZPJMESA-N 465.558 1.217 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)CCOC 1705672224 PRZKPBVGXPVNTG-JOCHJYFZSA-N 459.620 1.809 30 10 JDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1705720541 FCEHGZNWVVSHSZ-GOSISDBHSA-N 450.609 1.921 30 10 JDEE C=CC1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCS(C)(=O)=O)CC1 1705780437 NRUFHXVWECZUBH-UHFFFAOYSA-N 452.606 1.685 30 10 JDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1705831167 IKXJCPSGKFADRG-NZQKXSOJSA-N 467.618 1.845 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1705905070 IMWHZSFCTLCLPX-WMZOPIPTSA-N 455.563 1.916 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1705906131 TZRXXTFEYRKHQV-SFHVURJKSA-N 455.592 1.986 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2nccnc2C)CC1 1705906444 FDHRYSLMDCPODG-UHFFFAOYSA-N 466.521 1.723 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2cccnn2)CC1 1705906517 HTBIYYUAFDCBCH-UHFFFAOYSA-N 464.530 1.285 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1705932103 LJXXYPUBFZQNLG-AWEZNQCLSA-N 461.514 1.352 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(CC(=O)NC)CC1 1705936016 HUWJDNIBMBUNNR-FQEVSTJZSA-N 489.598 1.744 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CC[C@H](O)C1 1706746682 DCNCFENQPTTWNW-UIFIKXQLSA-N 472.615 1.533 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(N(C)C)cc1 1722295152 JIKXZNXYOGXNOA-PXNSSMCTSA-N 460.604 1.378 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1722358461 HUNOHHYZGSSCPN-FHWLQOOXSA-N 465.620 1.494 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722367875 XTSWVHITUFJUJO-LGVFNWMJSA-N 493.674 1.677 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722371089 TXVDXIFIBFGJMO-PLACYPQZSA-N 493.674 1.544 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCOC[C@H]1C 1722378475 FBRGNAQJOQRIBP-GOSISDBHSA-N 455.588 1.032 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN2CCOCC2)C1 1722490681 BVMTUAMDPRVLRX-NCYKPQTJSA-N 496.678 1.418 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1722519184 NQOGLNQLQIRXSU-OAHLLOKOSA-N 450.540 1.566 30 10 JDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(N2CCOCC2)C1)c1ccccc1 1722539593 ULTDREQBTUJLCB-WMZHIEFXSA-N 474.631 1.903 30 10 JDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1722580677 MRKLTEFCEZAFQA-QGZVFWFLSA-N 452.625 1.882 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(F)cn2)CC1 1722618650 UFXQBSBNHVJBRO-SFHVURJKSA-N 479.582 1.438 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1722727040 FLLWXSOIEWQINU-KKSFZXQISA-N 450.536 1.620 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C#N)CC1 1722727241 HABPYVKJXNOQKV-UHFFFAOYSA-N 470.603 1.793 30 10 JDEE CN(C)c1cccnc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1729330691 HIWKXNLXHFZQJL-GOSISDBHSA-N 451.556 1.949 30 10 JDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1740617293 PBHYHCXNYOHJBN-SJORKVTESA-N 451.549 1.282 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740626050 VHSAFOAVKOVSFG-QGZVFWFLSA-N 491.639 1.856 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(C)cc2)CC1 1740702302 LAXUQEAPTWWISX-GOSISDBHSA-N 472.615 1.405 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1740750786 UOUITCYXVKAPHJ-NEWSRXKRSA-N 472.594 1.972 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](Cn2cccn2)C1 1740961978 OGFFKQDBSOAQJR-LJQANCHMSA-N 451.531 1.282 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCCS2(=O)=O)C1 1740986381 ZEDDQMMDJUMXIJ-LJQANCHMSA-N 465.551 1.813 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740987207 CBIGZJKLXXBJTL-GOSISDBHSA-N 476.603 1.190 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(N2CCCNC2=O)CC1 1740989528 PPPKEKILVDPJRN-UHFFFAOYSA-N 488.614 1.939 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@H](CC)C1 1740994060 IHPNFXFAFLCNIR-JKSUJKDBSA-N 467.617 1.874 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)CCO1 1741103227 AFJVDMZWNJXMKP-QFIPXVFZSA-N 467.574 1.005 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1741984881 GYUMXSGPQGZXDS-IIBYNOLFSA-N 472.575 1.337 30 10 JDEE CNS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1748296840 GWHBZNRKNRTAIJ-UHFFFAOYSA-N 484.561 1.150 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1OC 1748671868 NTLWRGMNDZEQTK-KDOFPFPSSA-N 467.979 1.779 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCOC[C@H]2OC)c1 1748694331 DYLHOLVMVMQMKJ-TZIWHRDSSA-N 480.569 1.508 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC[C@H]2COCCO2)c1 1748694623 KFNBLPUYLZAODZ-FQEVSTJZSA-N 466.542 1.262 30 10 JDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCS(=O)(=O)N1CCSCC1 1748777040 WSIKOXSYGUXSMI-UHFFFAOYSA-N 495.627 1.419 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CCS(=O)(=O)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748804994 MRMQUEUQXAUQBL-LJQANCHMSA-N 464.613 1.643 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cn(CCCCC)nc2C)CC1 1748989445 LNXBFXDYFSGPKG-HXUWFJFHSA-N 473.647 1.679 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCN2CCOCC2(C)C)CC1 1748993326 VKYALXNPZBSLTQ-UHFFFAOYSA-N 452.603 1.744 30 10 JDEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1749223377 SNUSTJKYOHDLBV-QGZVFWFLSA-N 465.558 1.935 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ncccc2F)CC1 1749251660 HVELHXHDQWXFGU-AWEZNQCLSA-N 457.963 1.892 30 10 JDEE C=CCCCn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1749439533 BGFYIIPFKBQQRV-XZDHIHRUSA-N 460.623 1.885 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1749590663 CSQILHMITZBWAI-UWJYYQICSA-N 450.561 1.550 30 10 JDEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1749640736 ANNXDPDCKBFYPU-UHFFFAOYSA-N 456.366 1.887 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(C(=O)NCCOC)CC1 1749658546 LTNLTTOKFZXEMR-UHFFFAOYSA-N 466.542 1.973 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1749729749 QOXCOPAZNHLTAG-UHFFFAOYSA-N 484.648 1.135 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1749736968 UZXQAOSCRSLFIG-UHFFFAOYSA-N 487.561 1.196 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)C1CCC2(CC1)OCCO2 1749738645 SQFFJGJSWSUNBM-UHFFFAOYSA-N 478.619 1.862 30 10 JDEE C[C@@H](CN1CCOCC1)Cn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1C(C)(C)C 1751164474 BFIIXEPBTUTCLI-OALUTQOASA-N 467.622 1.921 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760185833 FJMRZCKGEPIXMX-UXHICEINSA-N 465.664 1.850 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760185835 FJMRZCKGEPIXMX-WOJBJXKFSA-N 465.664 1.850 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-n2ccnc2C)nc1 1760464977 SWTZZYWVFPABAD-SFHVURJKSA-N 472.575 1.171 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(c2nccc(OC)n2)CC1 1760516045 IIXGUXWUYLIQRY-KRWDZBQOSA-N 496.547 1.985 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC2CCOCC2)CC1 1760555918 QPNIUMMBDNRUPB-HXUWFJFHSA-N 467.636 1.322 30 10 JDEE CCc1nc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)cs1 1762756243 DUGUNMUIZKGPCU-QGZVFWFLSA-N 479.632 1.613 30 10 JDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1767228343 BTWFISVDIVLVEY-PMACEKPBSA-N 453.547 1.720 30 10 JDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1767228347 BTWFISVDIVLVEY-VQTJNVASSA-N 453.547 1.720 30 10 JDEE Cn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)cn1 1767471496 GIUPIEJQIPWHFW-UHFFFAOYSA-N 455.544 1.524 30 10 JDEE CCOc1cc(N2CCOCC2)c(OCC)c2c(=O)cc(C(=O)N=C3CCN(C)C(=O)N3)[nH]c12 1866529514 HSQHRODIWHXQKI-UHFFFAOYSA-N 471.514 1.746 30 10 JDEE COc1cc(C(=O)NCC(=O)Nc2c(C#N)nnn2Cc2ccc(C#N)cc2)cc(OC)c1OC 1870106591 AVXUQOHPDSCUPM-UHFFFAOYSA-N 475.465 1.464 30 10 JDEE C=CCn1cc(OCCCN2C(=O)c3ccccc3C2=O)c(=O)cc1CSc1nnnn1C 1870241293 YNSDQSNJLIOUKM-UHFFFAOYSA-N 466.523 1.915 30 10 JDEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(NCCOc3ccc(OC)cc3)ncnc21 1875232123 AJPKWDDHUSXJLJ-UHFFFAOYSA-N 455.515 1.544 30 10 JDEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C1 1891979704 YODQNGHGPTVLDO-LPHOPBHVSA-N 459.503 1.710 30 10 JDEE Cc1ccnc(C(N)=NO)c1-n1cnc(I)c1I 2035877728 BFICDUVFKADRDC-UHFFFAOYSA-N 469.024 1.879 30 10 JDEE C=C(Br)CS(=O)(=O)N1CCOC[C@@]2(COCCN2C(=O)OC(C)(C)C)C1 2118088479 UVSKZKQUHMOZQL-MRXNPFEDSA-N 455.371 1.563 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267366188 CCNHITIAEJGXET-DZGCQCFKSA-N 470.401 1.253 30 10 JDEE CC(C)(C)OC(=O)N1CCOCCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267377732 GWERKHWZSLYEGO-UHFFFAOYSA-N 469.369 1.554 30 10 JDEE Cc1c(C(=O)NCC2(F)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267525664 ICNYAZKJEOTAOD-UHFFFAOYSA-N 452.336 1.717 30 10 JDEE C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267704689 AAPOTXMBYCZURS-CQSZACIVSA-N 470.401 1.349 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(Cc1ccccc1)C1(CO)CCC1 2267718092 NXZLCISNCQDIRH-UHFFFAOYSA-N 461.393 1.825 30 10 JDEE C[C@H](NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2268639411 OTOFYUFMRXWGIL-ZDUSSCGKSA-N 467.397 1.865 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)CO[C@H]1C2 2280872832 UNTXDTOUDWOGEU-GTQRCTGISA-N 460.340 1.787 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)n1 2281996651 RAUGZIMQECEVKE-OAHLLOKOSA-N 464.372 1.256 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@H]1CN(Cc2ccccc2)CCO1 2282043587 OCTIPLUUUIKMSE-IBGZPJMESA-N 454.380 1.740 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1(CCO)CN(C(=O)OC(C)(C)C)C1 2282126008 FEULOWLIPWUPKF-UHFFFAOYSA-N 463.384 1.909 30 10 JDEE C[C@@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)[C@H]1CNC(=O)OC(C)(C)C 2282175810 YRGJWNQZHMXFTR-CABCVRRESA-N 463.388 1.880 30 10 JDEE CC(C)(C)OC(=O)NCCc1nc(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)n[nH]1 2282178725 OWRQGKSWCWZAOF-UHFFFAOYSA-N 458.328 1.818 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC1CCN(Cc2ccccc2)CC1 2282300266 CYHGIPDEIPIRAW-UHFFFAOYSA-N 475.424 1.305 30 10 JDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C[C@H](O)C1 2282343605 QRAOMTIVOUGUAF-MRXNPFEDSA-N 482.408 1.588 30 10 JDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)(C(N)=O)C1 2282474103 UHZTTWBUNHNSOE-UHFFFAOYSA-N 463.315 1.330 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCC[C@]2(C)CCN2C(=O)OC(C)(C)C)n1 2282832231 LVBPUWCBHKQFGA-OAQYLSRUSA-N 484.428 1.787 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 2282842392 XPZPAMQVJCSMQK-HXUWFJFHSA-N 485.416 1.040 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@H]1CNC(=O)CN1C(=O)OC(C)(C)C 2283956861 MKSUKSJZDXYIST-QGZVFWFLSA-N 459.352 1.968 30 10 JDEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)nn1 2283968347 KFVZISISCBERDZ-MRXNPFEDSA-N 458.328 1.714 30 10 JDEE Cn1ncc(C(=O)N[C@@]2(C(=O)O)CCN(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2284474648 NATZIGNRUDBYTI-QHCPKHFHSA-N 454.336 1.178 30 10 JDEE CC(C)(C)OC(=O)N1CCN2CCOC[C@]2(CNC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2288166301 GNWRRMHXWOGAFN-DGGJZMOXSA-N 465.400 1.907 30 10 JDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)n1C 2300296698 PDJLNPDWDVHJQR-UHFFFAOYSA-N 454.336 1.779 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(C1)CS(=O)(=NC(=O)OC(C)(C)C)C2 2362346215 OYJYETLIRPMZIK-UHFFFAOYSA-N 480.396 1.578 30 10 JDEE N[C@@H](CC/C(O)=N/[C@@H](CS[C@@H]1c2c(cccc2[N+](=O)[O-])C=C[C@H]1O)/C(O)=N/CC(=O)O)C(=O)O 30728479 RQCSOWVLCHNLLC-LFPKGMGHSA-N 496.498 1.315 30 10 JDEE in-man,metabolite CC(=O)OC[C@@H]1O[C@@H]2SC3=C(O[C@@H]2[C@H](OC(C)=O)[C@H]1OC(C)=O)C(=O)c1ccccc1C3=O 504759342 NJUKYOCSAOODHG-NTFUAGJKSA-N 476.459 1.561 30 10 JDEE biogenic N#Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)c(F)c1 609229073 SOPOMJQSPBDMSY-UHFFFAOYSA-N 488.541 1.485 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc(F)cc2F)CC1 728530780 SJHGNHIFMDDEDT-HSQYWUDLSA-N 472.536 1.632 30 10 JDEE COc1cc(C=NNc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)cc([N+](=O)[O-])c1O 1084122061 UUPHGIRAFTVURS-UHFFFAOYSA-N 479.504 1.556 30 10 JDEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3cccc(NC(C)=O)c3)n2N)c1O 1084246564 ZOUKQGWNAIJOQF-UHFFFAOYSA-N 470.515 1.841 30 10 JDEE COC(=O)CCOc1ccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 1211463960 DSWZOGNVARRNJQ-WMLDXEAASA-N 453.517 1.666 30 10 JDEE C#CCN(C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1229230758 YADMDTAXWXBQGU-QFBILLFUSA-N 458.563 1.958 30 10 JDEE C#CCCCn1c(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@@]1(OCC)CCOC1 1286361256 ZOXVIWYKIVXVPW-FDDCHVKYSA-N 455.563 1.741 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 1286382110 QWJBREFPHZLNAC-QGZVFWFLSA-N 477.537 1.662 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286383832 ZWHOOAAQIQCLIZ-IFMALSPDSA-N 498.653 1.661 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCC(=O)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286397464 ZMUKOGPNLNCJTE-UYAOXDASSA-N 471.583 1.828 30 10 JDEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286457818 WOYJBTPQECLTQB-KKSFZXQISA-N 482.990 1.707 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCCN2c2cc(NC)ncn2)CC1 1286492864 QHOJMMXQWWZFRN-IBGZPJMESA-N 481.605 1.281 30 10 JDEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286506656 YWTSNUMTENXCAS-RDTXWAMCSA-N 450.511 1.874 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1286511524 MAUURGVLORNBHH-OYRHEFFESA-N 473.691 1.762 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC(=O)N(C)[C@@H](C)C1 1286780757 ZVAGYPVIHFWLOW-LBPRGKRZSA-N 465.327 1.816 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1286808010 ISJOWFFEOJHJEY-IEBWSBKVSA-N 451.506 2.000 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccnc(SC)c2)C1 1286808663 DGSNBBVCKGIDRN-ZWKOTPCHSA-N 494.643 1.558 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccccc2)C1 1286810418 QZSVCLKQSFGISW-PMACEKPBSA-N 477.587 1.471 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1286814263 OOSKQUGDQXZPBY-HTAPYJJXSA-N 494.639 1.910 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1286823812 YPZYVEKLGLXYDN-JOCHJYFZSA-N 487.674 1.469 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1286848887 JTQQCWFULKSIBH-NKWDDMGQSA-N 478.557 1.480 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N[C@@H](C)c1ccccc1 1300464435 FAPGUUNIXMPICC-ICSRJNTNSA-N 474.631 1.810 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1300479679 RJUZQTUCYSQHAC-HXUWFJFHSA-N 470.599 1.255 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1300482737 HDQUZCNZKIEABT-SFHVURJKSA-N 489.598 1.504 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1300483437 LNNLXVPVYWAEAN-VGOFRKELSA-N 457.556 1.059 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCC(=O)NCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300490914 CSVRDSVGBCJMOW-LJQANCHMSA-N 479.566 1.068 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(F)cc1 1300537151 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C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(C)c2)C1 1301556237 GKHWYKZBNAHHNH-NHCUHLMSSA-N 475.615 1.943 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1COc2ccccc2O1 1301588659 IILHQUHNYQDWRQ-IRXDYDNUSA-N 496.611 1.057 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1301596442 PCSYLSBYGSAIBM-MSOLQXFVSA-N 450.565 1.525 30 10 JDEE CC(C)N1CCC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)C1 1303303249 DVQUPBXPDBKVBR-SFTDATJTSA-N 493.678 1.861 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CC(=O)N(CCOC)C1 1305766551 IESQMURLBNUWCO-HXOBKFHXSA-N 459.595 1.821 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1314001698 HNFRSCQOFVZZND-PZJWPPBQSA-N 485.614 1.593 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCCC)c1 1358994339 KNCBNXQAIGFLPI-NRFANRHFSA-N 467.595 1.831 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1359017089 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C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)ccc1F 1471292268 YPNCEWBNCXNHJT-CVEARBPZSA-N 457.524 1.390 30 10 JDEE CCCN(CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1500772766 HWGHVHFPWIFHOA-LJQANCHMSA-N 480.621 1.623 30 10 JDEE CS(=O)(=O)c1ccc(OCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1505120232 BQEWAQTVNYUULP-OAQYLSRUSA-N 476.534 1.439 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1507631959 VWAOCUWXNKBLLM-UZLBHIALSA-N 458.569 1.331 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc(C(F)(F)F)ccn1 1507643829 ZLUNAYAKOXMRHG-CQSZACIVSA-N 454.478 1.618 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCCc1ccccc1 1507666451 CMNFEHUNTWNNEB-UHFFFAOYSA-N 458.522 1.828 30 10 JDEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)NCC)CC1)c1ccccc1 1507850662 QOOLFYHQDIJFKP-GMAHTHKFSA-N 468.602 1.974 30 10 JDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1)c1ccccc1 1507853874 GIDCNXXULHRIAT-SVFBPWRDSA-N 474.631 1.759 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1508073389 WWMFHUBFHKRNEX-UHFFFAOYSA-N 476.541 1.919 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1508145457 MHGLGXJRNVRZSO-PZJWPPBQSA-N 494.706 1.846 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1508145791 PWYCDJPEHSEZSO-OXJNMPFZSA-N 474.649 1.422 30 10 JDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1509745661 DSLJLSSYPSFWLB-UHFFFAOYSA-N 478.601 1.476 30 10 JDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC(C)(C)O1 1512497102 GMBNTIKAVNFMNI-QGZVFWFLSA-N 454.531 1.591 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1538970322 BVQAQOMMUKYEBE-QZWWFDLISA-N 468.624 1.992 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OC1CCCC1 1539017043 XIOYFXZDXDGGBW-YLJYHZDGSA-N 488.614 1.834 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC 1539337273 FZFLBORUOOPKIS-KRWDZBQOSA-N 464.592 1.362 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCc2n[nH]c(C)n2)CC1 1539427353 BSDXDWGQZDWOKK-UHFFFAOYSA-N 467.965 1.286 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1539557348 REJIADNFWCMJGP-IUKKYPGJSA-N 473.574 1.656 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1540867309 RJKZLAKZGKFHFB-INIZCTEOSA-N 461.544 1.380 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1540872402 ORWDETPOXWVCTC-UHFFFAOYSA-N 499.597 1.120 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](C(=O)OC)C1 1540898642 QBBYBSWPKXFBKG-QGZVFWFLSA-N 470.555 1.935 30 10 JDEE CCN1CCN([C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)C(=O)NC)C2)CC1 1547722979 CRPXNXWNVQSNKA-NRFANRHFSA-N 464.618 1.805 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N2c3ccccc3C[C@@H]2C)CC1 1556504396 WNTXMPUMLZKRTP-NNWRFLSQSA-N 450.583 1.664 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1588035102 PDEIAVNUHNCHSJ-NHCUHLMSSA-N 469.611 1.973 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1588046006 VPGYBYDZOABESE-DLBZAZTESA-N 484.548 1.795 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1588732984 JJIVBBSSKSGYTI-UHFFFAOYSA-N 490.534 1.955 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1588955193 QLTLVRYJHFSJNC-UHFFFAOYSA-N 469.611 1.789 30 10 JDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1589116069 CQDPEMOAYKLKDA-KRWDZBQOSA-N 479.628 1.702 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1589608739 NHOIQHPRNRCZKA-JOCHJYFZSA-N 480.587 1.923 30 10 JDEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1CC1(O)CCS(=O)(=O)CC1 1595260621 JZKRGKBRUHJMTH-UHFFFAOYSA-N 477.587 1.168 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCN(C(C)=O)CC1 1595303246 OKVDMMSAUSQMSP-JOCHJYFZSA-N 470.574 1.594 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](CN2CCOCC2)C1 1595405393 MYFILNABMAGYBE-RTBURBONSA-N 462.595 1.931 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCNC(=O)CC1 1595497299 XBTWMYHPUYUBID-UHFFFAOYSA-N 451.300 1.475 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3CC)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1595755664 ZXWPTPMQVNCJPP-XXBNENTESA-N 476.599 1.750 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1595822703 JDSHCBSEZZDUSH-UHFFFAOYSA-N 473.599 1.873 30 10 JDEE CCO[C@@]1(c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@@H](C)COC)CCOC1 1616252442 DESGBCIHSHPQCV-JPYJTQIMSA-N 455.563 1.806 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CCN1CCOC[C@@H]1C 1619897953 AXJBRZQYGSMOEX-FQEVSTJZSA-N 481.601 1.759 30 10 JDEE COc1cc2c(cc1S(=O)(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)OCC(=O)N2 1622018926 IESZTLWRRQOTDD-OAHLLOKOSA-N 456.480 1.372 30 10 JDEE COc1ccccc1NC(=O)C1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 1638137405 GBNBWGJPXSBLQV-UHFFFAOYSA-N 456.524 1.722 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](F)COC)c1 1689871763 DSVUVORGDVZCCO-SJORKVTESA-N 463.535 1.221 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1689982598 QMKUOGUOHFLQAS-IPJJNNNSSA-N 466.604 1.515 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(N2CCOCC2)n1)[C@H]1CCS(=O)(=O)C1 1689992153 ICSSZFLKUOKBRJ-FQEVSTJZSA-N 472.615 1.383 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCCCC1 1689999653 FTOCJHZSOJJLDB-HXUWFJFHSA-N 468.627 1.995 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2nccn2C(F)F)CC1 1690114714 FGXRGPXGTYWNPT-UHFFFAOYSA-N 475.525 1.744 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@@H]2COCCO2)CC1 1690140414 XRZKHYPUQSSOEZ-GOSISDBHSA-N 458.950 1.765 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccccc2OCC)CC1 1690143930 GXATXVPQUNGCHK-HXUWFJFHSA-N 464.570 1.836 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCN(C)C1 1690206657 WSJRKYWQYZWHNT-QFWMQHCXSA-N 474.606 1.645 30 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C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCOCCOC)[C@@H]1CCS(=O)(=O)C1 1705564329 BSGAHNILJJUISQ-YLJYHZDGSA-N 476.555 1.080 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1705566240 LRQXOOYQLIRUFJ-RBUKOAKNSA-N 462.597 1.164 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C)C1=O 1705583421 XUZPEZPYHKRVTC-HXOBKFHXSA-N 456.547 1.138 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC1(O)CCOCC1 1705629047 WAXJJDUQQZDZIT-UHFFFAOYSA-N 469.590 1.470 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(=O)N[C@@H](C)CC)CC1 1705632407 OWLWGBJKXGPMAT-SFHVURJKSA-N 486.020 1.922 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(C)(C)N2CCOCC2)CC1 1705644585 WAAIDOLSPNEIQO-UHFFFAOYSA-N 487.649 1.273 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1705652701 JSGAKVYHBADSSA-KRWDZBQOSA-N 470.603 1.278 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1705819809 UUZKOAROYSCIKJ-ROUUACIJSA-N 498.650 1.928 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCN(C)C1 1705857782 LJYIAJJVJBZFNH-JTSKRJEESA-N 473.603 1.019 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](OCCOC)C1 1705895875 VYOPUQZIEUPNAQ-HNNXBMFYSA-N 467.368 1.970 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1705904843 AECVGHNDPSVXHF-UHFFFAOYSA-N 464.530 1.261 30 10 JDEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 1705910836 OJJWNRUGGQQOCY-UHFFFAOYSA-N 468.558 1.355 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCN1CCOC[C@H]1C 1706626235 FYVMTJFLBFOZKK-WIYYLYMNSA-N 467.574 1.587 30 10 JDEE CCC[C@H](C)C(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1709462179 ATTJAEIMUOYIBI-SFHVURJKSA-N 476.589 1.824 30 10 JDEE CN(C)C(=O)COc1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1710990531 HKPGRSOQXWEDRU-IBGZPJMESA-N 490.524 1.169 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 1722362785 WLDPCLPGLMSUCA-KRWDZBQOSA-N 468.539 1.185 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1722384739 XSYYLTYPGIAOTB-GHTZIAJQSA-N 467.595 1.830 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2nc(C)cc2C)nc1 1722401986 GCVFQWTTZHRNCE-QGZVFWFLSA-N 456.576 1.594 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CCC 1722421518 NQLKLMPVLQYOFG-NZQKXSOJSA-N 493.605 1.941 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCC3(C2)OCCO3)CC1 1722440429 GOUQIGQTLOLYEM-SFHVURJKSA-N 486.617 1.706 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC2CCOCC2)CC1 1722446976 FJSTWAFZNDWPQY-FQEVSTJZSA-N 477.631 1.353 30 10 JDEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1722452489 HGNBRKNZLMMDJQ-OAHLLOKOSA-N 460.991 1.895 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC#C)CC1 1722461238 MUKCNLQNQGEOIZ-IBGZPJMESA-N 474.631 1.708 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1722532715 UKFZTAXGZXTVJO-KRWDZBQOSA-N 451.593 1.760 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1722628973 DVZHRSWBDUORDK-QYZOEREBSA-N 469.608 1.209 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC1(C(N)=O)CCOCC1 1722654661 RWQYKAOMBSYQSV-UHFFFAOYSA-N 477.569 1.860 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 1722693590 UFJVNPCCOZCSFV-HZPDHXFCSA-N 478.644 1.828 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1722698556 HVCRNWKRNOEIJN-MRXNPFEDSA-N 477.013 1.356 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1722719525 VQCCYPVJPTVDQD-KSZLIROESA-N 489.589 1.318 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722724702 DEQKNRYHNZZYPA-KRWDZBQOSA-N 474.587 1.415 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1723933976 IBCAVQASYBRPBE-JLMWRMLUSA-N 491.593 1.231 30 10 JDEE 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C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1740792680 KZRBWAZVGYIECL-NHCUHLMSSA-N 454.575 1.678 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1740795148 OTXACXHVXBDYDY-NHCUHLMSSA-N 480.679 1.378 30 10 JDEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1740939647 YOUBSPSYKDPBQO-FQEVSTJZSA-N 470.979 1.796 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(c2cnn(C)c2)CC1 1740963863 ZKYSGGRTPLHLAN-UHFFFAOYSA-N 464.574 1.836 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1740985619 JZTBTDHFWLOLLF-IRXDYDNUSA-N 463.608 1.790 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1740989076 ZJQXZYZBOMKDPE-JTSKRJEESA-N 462.572 1.939 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOCCCO)C[C@H]2C)CC1 1741057409 AAPHSMWHQSXASB-AUSIDOKSSA-N 481.601 1.205 30 10 JDEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 1746459297 CNDOSFLSHPEFKT-KNQAVFIVSA-N 485.658 1.714 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1748812136 QRJQWAVWFHYIAS-IBGZPJMESA-N 452.540 1.809 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1748819135 LHHOXWYHRXLYQJ-LJQANCHMSA-N 456.597 1.898 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1748823793 BOTLOHYDVMDLRV-RDPSFJRHSA-N 487.626 1.113 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1748847923 YMZXPNCJGSIUKU-UXHICEINSA-N 471.583 1.228 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCC(F)(F)F 1748863984 MJTPFHXFPSVMQR-OAHLLOKOSA-N 484.504 1.736 30 10 JDEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CCS(=O)(=O)N(C)C 1748937096 BEMQKKVPZCRDJJ-UHFFFAOYSA-N 470.393 1.971 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1748995190 ZFFHFLATMSYNGR-IBGZPJMESA-N 473.622 1.659 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCN2CCN(C)C(C)(C)C2)CC1 1749000326 RQJYYSVEIHECGR-UHFFFAOYSA-N 481.645 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1760193221 WWWCQLBAUXZKKL-SPOLIRPYSA-N 452.577 1.054 30 10 JDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCc1cccc(C(=O)NC)c1 1760207403 HQTKOANUBIMDQQ-UHFFFAOYSA-N 460.563 1.945 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)N2CCCCCC2)CC1 1760268420 JQECKDJVCFZOMT-UHFFFAOYSA-N 466.590 1.437 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1760272140 ABWOHDKOFICLER-GJZGRUSLSA-N 450.590 1.550 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1760297765 HRWHKPHTJXFWKC-FGZHOGPDSA-N 460.556 1.407 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1760365565 BVZVKZQBYODQTB-DLBZAZTESA-N 460.048 1.246 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1760428101 OXTSPOPXQOJPLG-RBUKOAKNSA-N 463.608 1.144 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(OCC(N)=O)CC1 1760518306 PROWDNXLMOUAQX-UHFFFAOYSA-N 450.902 1.511 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCNC(=O)CC1 1760524056 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CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C[C@H]1CO 2267287427 WARJVYRUEDSLRC-GJZGRUSLSA-N 450.341 1.927 30 10 JDEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2267534111 CZGICDLHVLBYEL-OAQYLSRUSA-N 467.397 1.934 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](CNC(=O)OCc2ccccc2)C(F)(F)F)n1 2267543127 BSNMKWTVLRGHPE-CQSZACIVSA-N 497.283 1.701 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2268708865 HMGYHDOPPUSZDP-CQSZACIVSA-N 467.397 1.822 30 10 JDEE COCC[C@H](CNC(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2282001455 BNVMBKFDBXZJHD-OAHLLOKOSA-N 466.388 1.687 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](CO)[C@H](NC(=O)OC(C)(C)C)C2)n1 2282062541 ZWSXRPVPDCGNOR-GDBMZVCRSA-N 464.372 1.067 30 10 JDEE CN([C@H](CNC(=O)OC(C)(C)C)C1CC1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282329515 NMXXBFYJNAVEIZ-MRXNPFEDSA-N 484.428 1.643 30 10 JDEE CCn1cc(C(=O)N[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282541484 YRRQXKZZNYPCTO-AWEZNQCLSA-N 464.372 1.302 30 10 JDEE Cn1[nH]c(CNC(=O)OC(C)(C)C)nc1=NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282852980 XCNJFEJHJBXJLK-UHFFFAOYSA-N 499.424 1.423 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)CC1 2282858205 SZLLLBYEKQOLBG-CQSZACIVSA-N 485.416 1.182 30 10 JDEE Cc1nc(NC(=O)[C@@]2(C)COC[C@H]2NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2283985780 AGIBFLUKRBPDLJ-QRQCRPRQSA-N 462.356 1.953 30 10 JDEE Cc1cccc(C(=O)NCC(CO)(CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2286189560 XNFHONGSSKKFQO-UHFFFAOYSA-N 464.368 1.272 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)n1 2288268524 VOPFWCUKAODINR-LHSJRXKWSA-N 482.412 1.255 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OCc2ccccc2)CC1 2300225555 NWGRDNWZMGATIE-UHFFFAOYSA-N 454.336 1.814 30 10 JDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2312974571 XMOGPOZAWDNZHO-FRRDWIJNSA-N 450.370 1.986 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1O 2337332284 LBWFXRLUCGUYNK-CFVMTHIKSA-N 467.397 1.836 30 10 JDEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362337902 OKUPIZBVHJFSLH-AGIUHOORSA-N 458.290 1.637 30 10 JDEE COc1[nH]c(=N[C@@H]2[C@H](NC(=O)OC(C)(C)C)[C@@H]3CCO[C@H]32)ccc1B1OC(C)(C)C(C)(C)O1 2365346680 XMQXPAICNNZVLA-OKDNKWQNSA-N 461.368 1.904 30 10 JDEE CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)n1c(N)nnc1SCC#N 40173432 XFTBPCAKDLNRJV-HNNXBMFYSA-N 465.561 1.087 30 10 JDEE CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Br)[C@@H](O)C[C@@]21C 137642517 LTRVYEKAPGRFOX-QZUYBKCWSA-N 497.382 1.617 30 10 JDEE in-vitro Nc1ncnc2c1nc(NN=Cc1ccccc1OCc1ccccc1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 254404966 AUVIRAFZUOZRQR-ZDXOVATRSA-N 491.508 1.045 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)N3CCc4cc(OC)c(OC)cc4C3)cc2C1=O 729908661 HKVQNTSFIWOQEV-UHFFFAOYSA-N 485.518 1.519 30 10 JDEE C=CCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cnn(CCOC)c3)n2)s1 1083954484 NIBMPQXLNVRZEQ-UHFFFAOYSA-N 480.605 1.954 30 10 JDEE C=C(C)C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)C(=O)OCC 1133157102 FPFKCFOSQJBDFY-NVXWUHKLSA-N 450.513 1.638 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H](C2CCC2)C1 1286352782 NOHPIYUPDIDOLZ-OALUTQOASA-N 451.593 1.277 30 10 JDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(OC)c1Cl 1286361387 OLLMUPVYRGUTCR-CYBMUJFWSA-N 455.968 1.871 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1286381319 GDRFMZCZFCLPPF-OXQOHEQNSA-N 465.601 1.370 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1286397142 RNOJGFJWKNXGCA-QFIPXVFZSA-N 487.674 1.888 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(=O)NC(C)C)CC1 1286485799 YLIUZEAVZZLDME-HDICACEKSA-N 459.595 1.329 30 10 JDEE C=C(C)COCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1286606001 CVJRWQNSUIPTTO-KRWDZBQOSA-N 465.558 1.969 30 10 JDEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1286773343 DEJGDTYNFIJHEK-MRXNPFEDSA-N 487.586 1.657 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cccc(C)c2)CC1 1286813963 GUZGSWJIVKYREC-UHFFFAOYSA-N 474.631 1.648 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1286818847 QDCFZZJFBDTJIR-KRWDZBQOSA-N 477.635 1.657 30 10 JDEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O)N1CCCC1 1287155885 FUTXGNJFGAVCCM-HXUWFJFHSA-N 459.620 1.923 30 10 JDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)NCC)CC1 1300403077 FKYFBPDFZBSZHI-UHFFFAOYSA-N 458.592 1.503 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)cc1 1300578164 IICRSGZQWDODBS-FQEVSTJZSA-N 476.002 1.970 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1300685391 MAAKKWHLWAKULC-XMMPIXPASA-N 458.607 1.334 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccnc2OCC)CC1 1300717102 YPIBHQGLELWKNM-RUZDIDTESA-N 482.585 1.738 30 10 JDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)OC 1301001701 AJIUYVWBMRUZPX-UYAOXDASSA-N 476.603 1.586 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCSC[C@@H]1C 1301481167 IMTFWIKAARIPBQ-AWEZNQCLSA-N 463.633 1.791 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1301492576 KHCFUVKKTADYTF-XMMPIXPASA-N 470.574 1.566 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1301515699 YFWJICZQBRGKHB-UHFFFAOYSA-N 491.552 1.525 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](CC(N)=O)C1 1301576023 PIVXNPAWEYUBNN-ZDUSSCGKSA-N 485.408 1.728 30 10 JDEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1303898178 BQCMUPVHMZTFHV-MAUKXSAKSA-N 479.534 1.226 30 10 JDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CN2CCOCC2)CC1=O 1316124853 ARXUNTPYWCRRMB-LJQANCHMSA-N 467.574 1.080 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)C[C@H]2C(=O)NCC1CC1 1358919994 PLUFDTJYAWMCOI-AEFFLSMTSA-N 462.620 1.434 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CCC(=O)N2CCOCC2)CC1 1359030207 QMNXPLLNOATPAM-OAQYLSRUSA-N 496.612 1.821 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC[S@@](=O)CC)CC1 1359043321 PZZZVAUXWYCAAF-XIFFEERXSA-N 471.583 1.451 30 10 JDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1359054895 LNFQXAZSZXJLMQ-UHFFFAOYSA-N 482.658 1.918 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1359089238 FJFGEEVDRZCTNF-IFMALSPDSA-N 487.649 1.532 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)CC1 1359091389 MQJTVKGBOBGGEJ-JYJNAYRXSA-N 480.557 1.554 30 10 JDEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359141922 WCFKSTREJGGBCC-GDBMZVCRSA-N 468.341 1.974 30 10 JDEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359144169 ACACGFCJPUBVDP-UHFFFAOYSA-N 473.921 1.877 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1359284258 CCASKKSVOUYWDV-UHFFFAOYSA-N 458.588 1.830 30 10 JDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1359299628 KANQPZGCFLCZME-GOSISDBHSA-N 450.609 1.679 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C)C1 1359301476 ZIBRHHSLEIOJBY-CVEARBPZSA-N 450.540 1.114 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)c1 1466707447 OMTVOZGBDOVKTL-JOCHJYFZSA-N 454.548 1.684 30 10 JDEE CCN1CCN([C@@H]2CCN(c3nnc(COc4ccc(C#N)cc4)n3CCC(=O)NC(C)C)C2)CC1 1502337095 AJGMCIFEMAXTRU-JOCHJYFZSA-N 494.644 1.860 30 10 JDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1503748017 HVCMXCJVZFCWSB-RBUKOAKNSA-N 471.587 1.203 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1507538222 KZLQCKIEBVKHIV-NLWGTHIKSA-N 486.598 1.122 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCCNC(=O)c1occc1C)[C@@H]1CCS(=O)(=O)C1 1507626538 ASKNKCSDUKLOIY-GOSISDBHSA-N 484.582 1.632 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1507628500 OPHDTEYNJMUMCE-IIBYNOLFSA-N 498.436 1.945 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cc(F)ccc1N1CCOCC1 1507711019 YGRCTMSGKWWXKM-UHFFFAOYSA-N 453.522 1.789 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN(C)CCCC)CC1 1507721315 ROAGBZXGYFFFGI-UHFFFAOYSA-N 458.632 1.836 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCS(=O)(=O)CC)CC1 1507739820 FYLQXWBDWICOFC-UHFFFAOYSA-N 487.626 1.874 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCCC2)CC1 1507740309 ZYEUGHXFRFDTSQ-HXUWFJFHSA-N 490.674 1.411 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C(=O)NC 1507752027 UGWNWZBNPMRENY-DLBZAZTESA-N 480.635 1.771 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccnc(C)n2)CC1 1507969022 ZHAQHYXZJZVKKR-GOSISDBHSA-N 461.592 1.198 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)CC1 1508164098 YKJBXOPAKIEICU-AWEZNQCLSA-N 453.556 1.784 30 10 JDEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CC1 1515557228 BTEXLFCICWSFML-NRFANRHFSA-N 451.575 1.986 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1539200568 KWZIOVABNQTPET-FQEVSTJZSA-N 455.584 1.806 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1539226291 XBQKECXNEMYXKF-IBGZPJMESA-N 485.610 1.550 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1539231209 UAFZHCUWTFRPQY-OKZBNKHCSA-N 491.639 1.711 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1Cc1cccc(S(=O)(=O)NC)c1 1539285197 FSDPFSRJNZGWRE-UHFFFAOYSA-N 454.581 1.663 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1539461737 JXPIEJBAQBVEPS-JOCHJYFZSA-N 482.629 1.978 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]2CCC[C@@H]21 1539517537 PHHLSNCAWCZCPJ-SQNIBIBYSA-N 453.634 1.746 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1539683521 VDTRHENUAAEBLF-KRWDZBQOSA-N 476.603 1.712 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC[C@H]2CCCO2)CC1 1539890343 NBSSUGRNPOKYMT-WOJBJXKFSA-N 483.635 1.599 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1540127368 RJFGESDGMGINFY-QHCPKHFHSA-N 482.566 1.668 30 10 JDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CCS(C)(=O)=O)C1CC1 1540854356 ZQXONWMZSAPLEE-UHFFFAOYSA-N 452.606 1.746 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1540905488 SOIVIQFTXKPRML-PMACEKPBSA-N 478.640 1.850 30 10 JDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCOC1 1547858692 AYLGRGCPYPRUMU-FRQCXROJSA-N 460.501 1.789 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2Cc3c(F)cc(C)cc3N2C(=O)OC(C)(C)C)CC1 1556504214 OSKCFKUNZHBUKE-FQEVSTJZSA-N 458.534 1.694 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ncccc2C)c1 1587683256 FUYKBXTVUXQPDH-QGZVFWFLSA-N 481.582 1.696 30 10 JDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1587783164 LDRFGIMVQOSWAG-RBBKRZOGSA-N 469.634 1.583 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1588034874 MWCAIKFJZYZOTG-GOSISDBHSA-N 470.555 1.371 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CC1(O)CCN(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1588046012 VSWCUCRLPXALJW-FQEVSTJZSA-N 472.615 1.202 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1588064108 ALMJFVBVLDUYHY-LJQANCHMSA-N 486.623 1.316 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOC(C)(C)C1 1588645827 CTRWQVQEUFSOPL-UHFFFAOYSA-N 482.633 1.649 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)S(=O)(=O)CC)CC1 1588769654 WFQRBKQAPCFDSV-UHFFFAOYSA-N 455.588 1.244 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2CC(=O)N(C)C)CC1 1588791012 KLEMEAHKYGSWPB-UHFFFAOYSA-N 454.575 1.976 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1588864567 GGIOWOKGYWQRSS-FQEVSTJZSA-N 453.591 1.832 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCn2c(nnc2-c2ccccc2)C1 1588985664 WKLHKPQMVPUZEN-INIZCTEOSA-N 486.627 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1.977 30 10 JDEE C=CCNC(=O)Cn1c(N2C[C@@H](C)O[C@@H](COC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595595832 ZXRYLGYERUZHDZ-ZJPYXAASSA-N 478.594 1.591 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1595766496 QYEWVCSTRKVANO-LJQANCHMSA-N 497.419 1.506 30 10 JDEE CCCNC(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1614959830 BWOQOLMHWTVFEP-KRWDZBQOSA-N 460.546 1.633 30 10 JDEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1643611125 BHBWNLBRCARBBV-HRCADAONSA-N 457.522 1.988 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1 1658319771 AQUAVWOXZJQKCZ-QFBILLFUSA-N 457.574 1.351 30 10 JDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 1660268587 DWDASTACTDKXLA-UHFFFAOYSA-N 457.471 1.983 30 10 JDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(=O)NC(C)C)CC1 1689925798 AUYHRXKNCPKUSU-UHFFFAOYSA-N 462.558 1.654 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1689993934 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C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(F)cc1C)[C@H]1CCS(=O)(=O)C1 1705561809 WPTZZAALZYBCNT-APWZRJJASA-N 497.618 1.205 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1705562606 GKCYWZKHERVJQX-FPOVZHCZSA-N 490.651 1.959 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(N2CCO[C@H](C)C2)nc1)[C@@H]1CCS(=O)(=O)C1 1705570605 OYDVQFWNXOLJSC-TZIWHRDSSA-N 486.642 1.772 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(N(C)C)CCSC1 1705576121 GQLFLCFVAWCNHH-QHCPKHFHSA-N 486.667 1.706 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNC(=O)c1occc1C 1705576389 KKQWUPQQQAMNDQ-UHFFFAOYSA-N 469.509 1.715 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(NC(C)=O)c2)CC1 1705645677 ZVZJQKUTMPUZRH-SANMLTNESA-N 494.596 1.903 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCNS(C)(=O)=O 1705702932 PLGFWRVORMULDZ-AHRSYUTCSA-N 477.587 1.757 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(OC)c1 1705843877 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CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(=O)NCC2CC2)c1 1298096414 FWOTXOVBYYIGCK-QHCPKHFHSA-N 485.614 1.852 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1C1CC1 1300310790 OYQNIPTVKSIYEL-QXAKKESOSA-N 450.609 1.086 30 10 JDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1300344620 FKCHTRIPKJUPHM-KRWDZBQOSA-N 458.588 1.666 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1300464353 BUZDRWCNTWVWOY-BBTUJRGHSA-N 452.625 1.191 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H](C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300478906 GDBCJKDJBVOFDE-IRFCIJBXSA-N 492.690 1.944 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccnc(OCC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1300495238 FXAJKUJYGJXACQ-SJORKVTESA-N 499.515 1.793 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1300538743 UYXXPVLHEVYTCW-FUMNGEBKSA-N 487.626 1.756 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(OCC(N)=O)CC1 1300756369 KOGOEAYHZMEENT-UHFFFAOYSA-N 481.582 1.029 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1301586909 KLSNPJXFCAFLBX-MRXNPFEDSA-N 486.520 1.370 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1301593323 LXDBEIGHYWEFHH-JOCHJYFZSA-N 461.588 1.729 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1301659230 BBJGDUIROICALR-CWJYSFMFSA-N 469.590 1.842 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358955273 IYRZQWUHHJTVEZ-AABGKKOBSA-N 499.641 1.673 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358955771 SXWTUUDGOGPFAG-KRWDZBQOSA-N 496.634 1.348 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CC1(CS(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1358959698 NZGHCIKHGSUYGV-GOSISDBHSA-N 462.597 1.397 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358965671 ZBUQBOGPEMSBKF-HHXXYDBFSA-N 463.629 1.933 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1359010491 RCMREXPQZKTNEJ-IRXDYDNUSA-N 484.623 1.374 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1359038183 MUTPGTNGOIRLTP-FQEVSTJZSA-N 465.558 1.217 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(O)CC2)CC1 1359045307 CGGJMVPYTHCUTD-GOSISDBHSA-N 488.589 1.077 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCc2c1cnn2C 1359126080 FBVZPGKEXHXXHX-WBVHZDCISA-N 451.597 1.728 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1359150593 BRMAPNNWHADQIS-IAGOWNOFSA-N 462.016 1.801 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359183702 RLHWTIRROQCRMO-CQSZACIVSA-N 467.596 1.011 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(OCC)c1 1359240635 UIBMTCTVHXAIAU-LJQANCHMSA-N 465.576 1.689 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1359292652 UZPCTNWBEQFZBL-CQSZACIVSA-N 466.468 1.300 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(N(C)C)c1 1359473340 AHRHUZXPEBCMJO-APWZRJJASA-N 461.592 1.321 30 10 JDEE C#CCN(C(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)[C@H]1CCS(=O)(=O)C1 1435069621 QPNCWUJOBPYMMI-CVEARBPZSA-N 451.549 1.113 30 10 JDEE C=C[C@H](C)NC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 1457885032 NAFVXRPKXDXSIN-HNNXBMFYSA-N 452.533 1.523 30 10 JDEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CC(=O)N(CCOC)C2)c2ccccc2c1=O 1502359579 CEVKXRUODSFYFH-MSOLQXFVSA-N 492.584 1.908 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507576050 JKQHOSWRONMGLP-UHFFFAOYSA-N 470.555 1.283 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(Cc2cccs2)CC1 1507616993 QEBCQCRWHBTYEU-FQEVSTJZSA-N 492.671 1.654 30 10 JDEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507631534 QKYBBSQUCBILJH-QGZVFWFLSA-N 468.583 1.922 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1507631968 HOVHLSFOVFFCOE-NJYVYQBISA-N 463.648 1.919 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1CCN1CCOCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507633697 GJJTVDNBLMMAJJ-HXUWFJFHSA-N 463.648 1.748 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1507637380 APDGJRWSHJCTHP-SFHVURJKSA-N 457.556 1.106 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1507844277 GVYLBABPWFVFCR-RXVVDRJESA-N 453.609 1.074 30 10 JDEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507912360 HFASPQLHDROBLF-UHFFFAOYSA-N 452.563 1.608 30 10 JDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(N(C)C)CCOCC1 1507973277 XYEGOVIJBDQRHN-UHFFFAOYSA-N 462.620 1.928 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1508073981 LPJMHCRBWKBWQY-INMHGKMJSA-N 458.494 1.794 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1508135707 NYQTXLMFDKKVPJ-UHFFFAOYSA-N 459.572 1.661 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1508139029 CBMBMVUONGEYCU-QGZVFWFLSA-N 464.636 1.326 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1508143449 ZBUNIORXNYBDDI-UWJYYQICSA-N 463.535 1.067 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1508144010 MGAIDDIDZIPBGU-UHFFFAOYSA-N 482.614 1.598 30 10 JDEE COc1ccc(Br)c(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCn2cncn2)c1 1518070800 DSSRJXYQMHNFSF-AWEZNQCLSA-N 459.308 1.737 30 10 JDEE COc1cccc(C(=O)NCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)c1 1518350899 BOONYWBOHWJWAC-GOSISDBHSA-N 472.571 1.359 30 10 JDEE COc1ccccc1-c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCS(C)(=O)=O 1518445107 DVLAKPXUKAEFCP-UHFFFAOYSA-N 467.555 1.592 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCCS1(=O)=O 1538983456 SEODQWKNJAUTBU-QAPCUYQASA-N 450.586 1.774 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@H]2COCCO2)c1 1539045592 FOWJRRGKQRLYGB-RRPUWOKSSA-N 483.569 1.864 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1539206478 PTGYHMAQQXBIHO-LGVFNWMJSA-N 493.674 1.820 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Br)n1CCOC)[C@H]1CCS(=O)(=O)C1 1539210040 AJTDNKRUSMVTAL-AWEZNQCLSA-N 453.362 1.981 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(N(C)C)CCSC1 1539307585 WPBRAKIQDMQPDS-HSZRJFAPSA-N 461.599 1.821 30 10 JDEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCS(=O)(=O)CC=C)CC1 1539444611 RFCUOIYHVPZVLE-UHFFFAOYSA-N 452.584 1.793 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1539481732 NJBTWLNEPHYDFX-NRFANRHFSA-N 485.610 1.341 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nnc(C)s1 1539557055 KSNHLDKZXMQNME-DNVCBOLYSA-N 465.605 1.006 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1539684894 LQBRLJSROVMUMX-HNNXBMFYSA-N 486.595 1.114 30 10 JDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1539705379 QVKBEHFOHFTDOD-ZCNNSNEGSA-N 450.653 1.751 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)NCC)CC1 1540862770 IZPFUXHLBXNQHG-MRXNPFEDSA-N 459.526 1.711 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1540900558 ZPDIOLAJUFEJFE-JKSUJKDBSA-N 464.979 1.842 30 10 JDEE CN(C)C(=O)COc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)c1 1552744997 DNVZTMQUUICXAN-HTAPYJJXSA-N 455.494 1.186 30 10 JDEE C=CCn1cc(CNC(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)nn1 1557105172 SXBLBHFZSMUWGW-UHFFFAOYSA-N 455.496 1.601 30 10 JDEE C#C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C)C1CCOCC1 1557576640 AWACVWHEPUVUJQ-RXVVDRJESA-N 450.557 1.695 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1588034088 AXZYYNCUCFALOW-GOSISDBHSA-N 474.583 1.894 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CC[C@]2(CCOC2)O1)[C@H]1CCS(=O)(=O)C1 1588059766 URIZFYIINNUWFD-NPPFBWRTSA-N 450.605 1.832 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1588069547 QFFAAQRESXLCGF-GOSISDBHSA-N 472.546 1.713 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccc(NC(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1588074119 JMPLCYROCRVNGU-LJQANCHMSA-N 474.587 1.583 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1588139233 NUHWMHCIMCUSFO-ZWKOTPCHSA-N 461.588 1.653 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCNC(=O)c2cccc(OC)c2)CC1 1588848374 DFYGFBVIINMQCN-UHFFFAOYSA-N 459.554 1.458 30 10 JDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1595544956 OKVCFJSXKZEXEH-BGYRXZFFSA-N 471.650 1.864 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1595577278 NQTSUSBZJJFRNX-NFBKMPQASA-N 495.628 1.457 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1595812174 OUAUXUVQVOXNFG-MRXNPFEDSA-N 473.646 1.248 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC1 1595957207 SBKISJYEMJOHHI-XMMPIXPASA-N 468.558 1.981 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1596789102 FQKUZBYPNNSKHB-ACJLOTCBSA-N 468.377 1.853 30 10 JDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1626974870 QYNGNHSAPMKESY-JQFCIGGWSA-N 473.389 1.690 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)cc1 1634661873 ZIAJVTBUEFCTFX-LJQANCHMSA-N 453.442 1.747 30 10 JDEE C#CCNS(=O)(=O)N1CCN(Cc2cc(Br)sc2Br)CC1 1658787760 HCIVNNSMIWUVGK-UHFFFAOYSA-N 457.213 1.858 30 10 JDEE C#CCOc1cc(F)ccc1NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 1659603965 DWGVNOVVLRWSMP-HZPDHXFCSA-N 454.524 1.341 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N=c3cc[nH]cc3Br)CC2)cc1 1660033107 GVTCWJDMCNOQMH-UHFFFAOYSA-N 450.318 1.676 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1689910221 AIFBLXLHKDFKLY-UHFFFAOYSA-N 459.514 1.159 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC[C@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1689978588 ZSDLNVUYONIHBV-FIKGOQFSSA-N 451.593 1.391 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 1689979717 GLJMZNDUYYMCDA-ICSRJNTNSA-N 493.655 1.375 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1689988301 MIXUWADUSFSYGT-HNNXBMFYSA-N 461.498 1.915 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1689996637 LFXWRMWBEVOTEP-IBGZPJMESA-N 483.598 1.770 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690040790 OPCPPRHMDVWJLX-QGZVFWFLSA-N 455.540 1.418 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2cccc(OC)c2)CC1 1690124358 JTEZXOGLBVFVLQ-HXUWFJFHSA-N 452.559 1.366 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)Nc2c(C)cccc2C)CC1 1690141776 CBOHITSUDKRPFA-UHFFFAOYSA-N 474.569 1.900 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(N3CCO[C@@H](C)C3)nc2)CC1 1690148333 CSAJQSJXHTVPJF-SFHVURJKSA-N 451.575 1.475 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690299162 HUOUYOXTMUOTFA-UHFFFAOYSA-N 477.591 1.378 30 10 JDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690481094 UUDWDNCSLKKWLY-KRWDZBQOSA-N 461.592 1.546 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1690622484 QHMKTHGKRGELRQ-SFHVURJKSA-N 457.560 1.652 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1690622556 RYCNSVUKONNWAB-INIZCTEOSA-N 452.556 1.314 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCSC1 1690671868 ATGQGIMRZQHHFE-HOTGVXAUSA-N 466.608 1.830 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1690723820 BNIOVSWJXRUSLV-FQEVSTJZSA-N 475.615 1.856 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2nccs2)C1 1690727271 YSLUWHBXDKXPKA-QGZVFWFLSA-N 460.585 1.899 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1690732092 VWDNKEGNOKCTMM-ROUUACIJSA-N 499.634 1.660 30 10 JDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1=O 1698085088 GEWYEKGKEURFEJ-UXHICEINSA-N 454.531 1.163 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c2c(c1)OCCO2 1705476441 AFURIQQKOGNSNU-QWHCGFSZSA-N 453.952 1.819 30 10 JDEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(OCC(N)=O)CC1 1705531445 KCFNKRPTADQRKD-UHFFFAOYSA-N 477.569 1.949 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1705570219 LSSOJRWPKPRIKB-QUCCMNQESA-N 458.584 1.931 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CCC1 1705628970 UEFJTZKRUSQIDM-NRFANRHFSA-N 487.626 1.819 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1705633380 PUJAZSAIEQXGPB-UFYCRDLUSA-N 465.668 1.012 30 10 JDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1705652956 TWFMTCRKTSETBQ-UHFFFAOYSA-N 454.600 1.674 30 10 JDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705825447 UBLNFIPTGBLBOK-GOSISDBHSA-N 489.602 1.522 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1705930335 LCIPPYIIRPUSBE-VQTJNVASSA-N 480.679 1.819 30 10 JDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C)[C@H]1CCCN(c2cccnn2)C1 1711027907 FOPDKRXNCKYGAJ-FQEVSTJZSA-N 495.613 1.603 30 10 JDEE Cn1cc([C@]2(C)CN(c3nnc(-c4ccc(C#N)cc4)n3CCCS(C)(=O)=O)CCO2)cn1 1711246286 FNXATGFXHJLWNH-QFIPXVFZSA-N 469.571 1.737 30 10 JDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1711424852 CIRQRKNYLFIWGH-IBGZPJMESA-N 470.559 1.353 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)NC(C)C)c1 1722307332 VDLVQLKUGDCNJK-AVRDEDQJSA-N 468.558 1.583 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCNC(=O)c2occc2C)CC1 1722440761 IXLFVAYSRUTTFY-FPOVZHCZSA-N 470.574 1.479 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1722603271 HSRVJIKQHQOWNS-SFHVURJKSA-N 482.651 1.662 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1722726308 BNOANSGDEAUJHB-PMACEKPBSA-N 492.690 1.773 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN1CCCS1(=O)=O 1722861943 FFHSNZXLHLYUSJ-INIZCTEOSA-N 454.560 1.967 30 10 JDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C[C@@H](C)O1 1730609749 IBJVPBCEPIDFIK-APWZRJJASA-N 475.571 1.546 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740539694 QTRMYAXVVRSZRY-JKSUJKDBSA-N 465.601 1.088 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2ncnn2C(C)(C)C)c1 1740564720 VSFBAVMKABWALG-UHFFFAOYSA-N 489.584 1.852 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1740624240 GSPNMKYNXPYQCO-INIZCTEOSA-N 456.519 1.396 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1740644808 VAMWNDPBLMFILL-BURNTYAHSA-N 475.615 1.279 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1740695473 SFCJLWWMXKQOIK-HXUWFJFHSA-N 461.545 1.887 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(F)c2)CC1 1740705144 BSXLYZBKISNWGD-GOSISDBHSA-N 489.573 1.342 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1740706001 OQKVJRKNYUWSEW-UHFFFAOYSA-N 467.570 1.939 30 10 JDEE C#CCSCCn1c(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1740724270 ZSWMOWHWLIMTDZ-XXBNENTESA-N 476.647 1.879 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ncc(CC)s1 1740732080 QVKJBLZXDCRADZ-DYESRHJHSA-N 478.644 1.865 30 10 JDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1740742762 ATQURKVGSQUCNA-OAHLLOKOSA-N 466.384 1.866 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1740751346 JCJLDEWDJBPNFV-HOJAQTOUSA-N 496.678 1.953 30 10 JDEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1740858973 DDRIXGUWVOUICL-UHFFFAOYSA-N 451.535 1.163 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1740960332 PJWZZUIDJAWUCS-WMZOPIPTSA-N 479.990 1.714 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1740961724 XJROFBCSBYUTDG-UHFFFAOYSA-N 468.537 1.714 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)C2CCCCC2)C1 1740980492 KULCYWUTDPPNNN-QTEQDKRBSA-N 497.662 1.724 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(F)cc1F 1740994248 LMJQXEGEIOOQGC-UHFFFAOYSA-N 453.515 1.916 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1741002803 LWZQESGRNPVZEV-GOSISDBHSA-N 490.655 1.525 30 10 JDEE CN(C)C(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1747526660 DEQCIMRZRSFNQP-UHFFFAOYSA-N 459.576 1.061 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1748808004 GADRZDZQPCHRAP-LJQANCHMSA-N 494.602 1.935 30 10 JDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1748851317 CQMOIABIZCUDHR-QHCPKHFHSA-N 460.582 1.764 30 10 JDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCc1cnc2c(Cl)cnn2c1 1748969386 TWCSZNWVNNHVJR-UHFFFAOYSA-N 456.938 1.425 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(F)c(COC)c2)CC1 1749000890 CVHLCTFMOMZIME-UHFFFAOYSA-N 482.560 1.814 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1749001252 OASIOPJNHBIOTJ-LJQANCHMSA-N 458.588 1.183 30 10 JDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749040198 QQXKHCVONUXOCP-UGKGYDQZSA-N 467.643 1.619 30 10 JDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1749199595 UZXCMBPARICIFP-WOJBJXKFSA-N 457.623 1.794 30 10 JDEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(S(C)(=O)=O)CC1 1749457836 VAADPEFTKJPQRF-UHFFFAOYSA-N 490.634 1.126 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N1CCCCCC1)C1CC1 1749519753 RQHNTGLDMFHISB-LJQANCHMSA-N 480.635 1.559 30 10 JDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)C[C@H](C)O1 1749545580 ABCWZABWGYCRGC-LPHOPBHVSA-N 462.576 1.385 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1749734237 GULBSRCSROIAOO-FCHUYYIVSA-N 489.642 1.629 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1749738500 NUTSCAUNUVBFQH-IBGZPJMESA-N 492.671 1.274 30 10 JDEE C[C@@H]1CCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1752102297 DJPAKBJEINZZLD-ZHRRBRCNSA-N 458.588 1.886 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)Br 1760116399 GZOANGKCSLEVIS-WDEREUQCSA-N 456.313 1.057 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCOc2ccccc21)[C@H]1CCS(=O)(=O)C1 1760183029 NZRICLBTTRYOLG-ROUUACIJSA-N 471.583 1.609 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760190469 QZUXDSBJXKGAQE-PZJWPPBQSA-N 456.616 1.623 30 10 JDEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1760193105 SZWFOJOKUBRGBR-FGTMMUONSA-N 493.630 1.712 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1nnc(C)s1 1760206907 QOSHIISZGQAJPG-UHFFFAOYSA-N 460.611 1.924 30 10 JDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCC(O)CC1 1760232268 YNSOYIYVMRRPPQ-UHFFFAOYSA-N 459.620 1.545 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCn2ccnc2C1 1760244627 BLLUSQHGYXZEAY-GOSISDBHSA-N 468.583 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483.573 1.533 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1359033465 CTAPEMLNXDPLJH-GOSISDBHSA-N 451.497 1.302 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCOCC2(C)C)CC1 1359040113 IUJYCDSEIPEVEK-UHFFFAOYSA-N 494.600 1.002 30 10 JDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1359126028 CDVJTOMPZBSZCL-FQEVSTJZSA-N 475.638 1.532 30 10 JDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1359135670 LAEGOOORJVEXFS-JOCHJYFZSA-N 484.649 1.865 30 10 JDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(CC)C(=O)C1 1359225849 MWXWXVCBTHEYLZ-UHFFFAOYSA-N 465.558 1.843 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1359287679 QDQDEZBEXGRNRV-IAGOWNOFSA-N 484.623 1.538 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1359292342 NIMSOMRZHGTEJL-CVEARBPZSA-N 465.551 1.873 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2csc(C)n2)CC1 1359302985 ZZUMITYYHHOYAC-UHFFFAOYSA-N 452.588 1.653 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(N3CCCCC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359305847 OTTZZGNBZIGSSK-XMMPIXPASA-N 474.606 1.602 30 10 JDEE C=CCOc1ccc(Cn2c(N3CCN(S(C)(=O)=O)CC3)nnc2[C@@]2(OCC)CCOC2)cc1 1359308827 ZVKACYUOYBWASC-HSZRJFAPSA-N 491.614 1.625 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC)C1 1359310501 YCPVJOHZPRTXNF-PZJWPPBQSA-N 491.614 1.839 30 10 JDEE C=C[C@@H]1OCCC[C@H]1NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1436327367 ZDHDATJIVJEYSN-XLIONFOSSA-N 462.572 1.377 30 10 JDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CC1 1464747026 GWUKPEIQPFYIFQ-WDSOQIARSA-N 454.980 1.156 30 10 JDEE C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)C(C)C 1467660639 VYCYWJTUIPZVCB-KLOMGHIOSA-N 455.621 1.883 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN[C@@H](c4ccc(O)cc4)C3)CC2)cc1 1470724547 HBKZSJDGHHVVIH-JOCHJYFZSA-N 454.552 1.838 30 10 JDEE CNS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](F)(C#N)C1 1503834762 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C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](C(N)=O)C1 1508143012 IOVAMGJIWKUVLC-SFHVURJKSA-N 461.588 1.776 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(C)(C)OC(C)(C)C1 1508148354 RQURBQYRKVIIFZ-IRXDYDNUSA-N 456.609 1.997 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539205460 IRMOZLOJVLPGQK-HNNXBMFYSA-N 489.907 1.904 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1539215461 CSIZJPSPVOLXSZ-QGZVFWFLSA-N 458.519 1.501 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCC(=O)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1539222869 XVBUTJQLPBUTFR-MOPGFXCFSA-N 465.620 1.795 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1539225411 NPSXUBJRRWGPMW-LEWJYISDSA-N 456.616 1.765 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1539231622 WGVPYPCCRDQMOO-QUCCMNQESA-N 461.636 1.497 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)CC1 1539616319 POBLJCDGLVGVQB-SCTDSRPQSA-N 452.625 1.544 30 10 JDEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1539847601 IFQKHWADHIJAMT-DLBZAZTESA-N 489.577 1.731 30 10 JDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1540033272 CPAXOWUEECIXKY-OAHLLOKOSA-N 451.549 1.612 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1540862282 XIYLYZWTVPAQSI-UHFFFAOYSA-N 458.954 1.191 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1540865249 YZJWGRWPONTVBJ-SFHVURJKSA-N 452.475 1.467 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1540868191 VQVFOODABFDMLY-UHFFFAOYSA-N 483.598 1.238 30 10 JDEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1540907799 IVFUIMKEDKFSHT-UHFFFAOYSA-N 499.062 1.862 30 10 JDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588034802 MAIZOZMTBFKWSX-RTWAWAEBSA-N 472.611 1.988 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1588035133 PIRHQLXRSOCTFW-FQEVSTJZSA-N 472.571 1.966 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588040175 IXOQLEIVKKCBNW-GOTSBHOMSA-N 496.637 1.800 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCC(=O)N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1588046016 VVBSSERRTJFUBR-IBGZPJMESA-N 470.599 1.760 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1588069303 LFFYVSUMBWPNEM-GOSISDBHSA-N 472.546 1.599 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1588073710 BUYCZHFMCLMBBY-NRFANRHFSA-N 460.538 1.753 30 10 JDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1588090597 YYCJRTMLVYJWCF-GHTZIAJQSA-N 469.508 1.656 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2ccc(F)cc2)CC1 1588813680 ZIFSTEZHRSQERU-ROUUACIJSA-N 461.563 1.542 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1588930071 MRORYYMWLHYTJL-MHECFPHRSA-N 455.534 1.795 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1589496296 XMUNLUBDWCOOQF-NXOAAHMSSA-N 494.584 1.942 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1589503453 DBHAHLZPSATHTG-FCHUYYIVSA-N 491.596 1.971 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 1595405480 QLKGDYUAVLYYBX-MSOLQXFVSA-N 499.540 1.976 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1595477835 ZZQCGJLRPYAIDQ-ROUUACIJSA-N 468.558 1.930 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC2(CCN(C)C2=O)CC1 1595799056 WJEWVXXIXIINMM-QGZVFWFLSA-N 451.593 1.222 30 10 JDEE CC[C@@H](C)N(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1613400227 AYHSHFNQSKEQOA-QZTJIDSGSA-N 489.650 1.212 30 10 JDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)OCC 1622449307 PUPMUYNQCMGMKT-MRXNPFEDSA-N 450.966 1.824 30 10 JDEE Cc1ccc([C@@H](CN2CCOCC2)NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 1623504675 DODGWDNYSADZHX-XMSQKQJNSA-N 456.568 1.723 30 10 JDEE C#Cc1ccc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 1640258243 ZLPWPXVUJJLPCT-UHFFFAOYSA-N 455.536 1.928 30 10 JDEE COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 1652756788 FAXDHHCGFMUZIT-QFIPXVFZSA-N 456.568 1.677 30 10 JDEE COC(=O)Cc1cc(OC)ccc1S(=O)(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1663335389 GILFCZUVRDMDKQ-IBGZPJMESA-N 457.508 1.756 30 10 JDEE CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N(CCC#N)CCN1CCOCC1 1674888298 ANNIPBCAALZPHZ-UHFFFAOYSA-N 453.565 1.415 30 10 JDEE C#C[C@H](NC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1)[C@@H]1CCCO1 1681592969 JJVOYIWBGBOYBM-HRCADAONSA-N 453.280 1.655 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N2CCOCC2)c1 1689869064 ZUGYFNQEDVLDIQ-IBGZPJMESA-N 479.585 1.291 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCN2CCOC[C@@H]2C)c1 1689870451 OHTGSWJIFKRQKF-SFHVURJKSA-N 460.542 1.512 30 10 JDEE C#CCCCn1c(N2CCCN(CC(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1689941028 HOLDURJPISWCLY-RUZDIDTESA-N 472.634 1.867 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CCCNC(=O)c1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1689980083 LJIUSSVAORDJCU-SFHVURJKSA-N 473.599 1.728 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1689990103 LPNIHDJQCNIWBV-SJORKVTESA-N 452.968 1.697 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1689993194 XLPGHZNVWZOATF-JKSUJKDBSA-N 450.511 1.810 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(CN(C)CC)c1)[C@H]1CCS(=O)(=O)C1 1689994170 SLDLFRFUUNXHDK-QFIPXVFZSA-N 498.653 1.527 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1689997299 ZQNXSFASIHLDRX-RBUKOAKNSA-N 474.583 1.919 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCc2cnn(C)c2)CC1 1690124854 VVDVTCJJYHBZGC-NRFANRHFSA-N 498.632 1.708 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690433625 YGABERPEUASFNJ-INIZCTEOSA-N 461.592 1.369 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)C 1690683459 LJNHWUMWWRYGGA-GOSISDBHSA-N 461.588 1.754 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1690724006 GCWRWIDOCCINFN-KRWDZBQOSA-N 477.635 1.865 30 10 JDEE CC(C)NC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1692562507 AVUGYURTRFRFSC-QGZVFWFLSA-N 460.546 1.165 30 10 JDEE CC[C@@H](C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)OC 1693971419 FPPSSPYDUFWHKM-YLJYHZDGSA-N 476.603 1.871 30 10 JDEE CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)N(C)C 1694287710 BWJCSXJJKKMVRN-RTWAWAEBSA-N 496.664 1.836 30 10 JDEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705655942 RYVQMZPVFSYTDB-KRWDZBQOSA-N 486.598 1.893 30 10 JDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1cc(OC)ccc1OC 1705725606 KUEOACSCNKDIGU-INIZCTEOSA-N 450.561 1.772 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1705899057 HECRYZGGUPDJTE-UHFFFAOYSA-N 474.009 1.891 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(N3CCOCC3)c2)C1 1705915299 JTDYXPMBCRJJBH-RXVVDRJESA-N 490.630 1.555 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ccon1 1705931765 ZNXVYRJFKZOVOA-UHFFFAOYSA-N 465.557 1.574 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1705932442 UJWYYQRDMRVIOX-LJQANCHMSA-N 469.615 1.990 30 10 JDEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1705947526 NSVHXWFALWBNIB-UHFFFAOYSA-N 451.618 1.878 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)NC(C)C)C[C@H]2C)CC1 1706001504 SXYZLMOPYCAUIW-AUSIDOKSSA-N 492.628 1.720 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCSC2)C1 1706933252 AKVQEAVPNRLZRP-SQGPQFPESA-N 468.649 1.884 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)CC=C)c1 1722305490 ATSOIBKRIZHPFT-LJQANCHMSA-N 457.556 1.787 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccc(OC)c(OC)c1 1722352777 PSKGNWHVPRDWMD-FQEVSTJZSA-N 477.587 1.330 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1722361661 ISTZWFJVORSXSF-KRWDZBQOSA-N 453.553 1.652 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1722364291 KOFWJNOKNVOIIZ-SJLPKXTDSA-N 489.989 1.990 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C(C)(C)O)cc1)[C@H]1CCS(=O)(=O)C1 1722365350 DJRPDINSPFNJBU-OALUTQOASA-N 471.583 1.132 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCN(C(C)=O)CC1 1722389260 GFADFGNHZCQOKT-UHFFFAOYSA-N 496.015 1.489 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1722532743 VHCBJNJMRQRXSL-HXUWFJFHSA-N 488.614 1.723 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1722692394 KQIUTWJLCSISNW-INIZCTEOSA-N 458.592 1.156 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CCCCO1 1722696718 DGJAPALSCQSXLO-INIZCTEOSA-N 451.531 1.500 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCS(=O)(=O)NC)C1 1722722375 NPJXYICVFWUARO-IRXDYDNUSA-N 484.623 1.681 30 10 JDEE COc1ccc(C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1730035640 FREBDNNOKRMDNN-FUHWJXTLSA-N 489.598 1.904 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCN2CCOC[C@@H]2C)c1 1740564478 OJVDPYATDODYGH-FPOVZHCZSA-N 466.586 1.949 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 1740622499 DPTKIAXJMAXBFE-ZWKOTPCHSA-N 462.620 1.120 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1740622750 IEAHDMAKHDEWLC-IAGOWNOFSA-N 476.603 1.363 30 10 JDEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1740623396 SOQUSHFXVXZTIT-IAGOWNOFSA-N 484.582 1.337 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1740625053 NMYSSWCFEXZQFE-FQEVSTJZSA-N 498.609 1.832 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1740629760 YSTCZHRZEDRWTJ-FUOQNJDISA-N 466.604 1.444 30 10 JDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1740631468 JSJPGDPZFOIZCY-NBGIEHNGSA-N 478.601 1.892 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1740700686 FIMCJAUNNYBYPX-ROUUACIJSA-N 465.558 1.706 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC(=O)N2)CC1 1740707696 MNLNMKOCGPJKLM-MOPGFXCFSA-N 499.616 1.595 30 10 JDEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740807537 DVSQRSCXQGZECZ-UHFFFAOYSA-N 477.982 1.534 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCN1CCOC(C)(C)C1 1741682459 DRAPYUITBKDSSJ-OAQYLSRUSA-N 481.601 1.977 30 10 JDEE CCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2(O)CCOCC2)c2ccccc2c1=O 1746470361 IAKMQKSFBFCQEB-INIZCTEOSA-N 451.531 1.812 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCCN1c1cc(NC)ncn1)[C@@H]1CCS(=O)(=O)C1 1748804459 IBISZHRFSIURBF-CEXWTWQISA-N 486.646 1.919 30 10 JDEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1748808553 KZJBCZLBHZGFQB-DOTOQJQBSA-N 496.680 1.803 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1748818579 CJWHOESJUQVZNE-SFTDATJTSA-N 491.683 1.914 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1748864551 ZDNFIHHAPQWMLR-VQTJNVASSA-N 488.614 1.326 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCSc1nccs1 1748892282 MUOUIEMLGILHBE-KRWDZBQOSA-N 494.668 1.713 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC1CC1 1748929880 RMLWKMHOUCNHRL-OAQYLSRUSA-N 473.599 1.908 30 10 JDEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1749183081 NJGARXYYRLCTPI-UHFFFAOYSA-N 498.584 1.436 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1749457649 NTAACWBQIQBKLG-SJORKVTESA-N 460.622 1.176 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1749736317 IGSZLKIJTBQARR-VQTJNVASSA-N 457.600 1.835 30 10 JDEE C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1)N(C)C 1751142690 GGBWVEDYOMYFOJ-UWJYYQICSA-N 487.630 1.602 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1760174163 DWDFKTINVLNXET-APWZRJJASA-N 487.504 1.131 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CCOC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1760187823 XXPRHGQYAAUZCL-RTBURBONSA-N 498.671 1.404 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1760192505 VDVZPZHLCHJPEF-HXUWFJFHSA-N 468.583 1.823 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1760220344 ZPADVLDQAWBLJZ-WOJBJXKFSA-N 465.579 1.696 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCC(=O)N2CCCCCC2)CC1 1760270437 XKMCIYJELPVGRS-HXUWFJFHSA-N 456.591 1.541 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)COCC 1760294642 CFMKUHSEPOKPNC-DYESRHJHSA-N 453.609 1.666 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760518324 QIMLEIZXQZJKET-IBGZPJMESA-N 450.952 1.311 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760526096 DHOACPIHLIGMNP-INIZCTEOSA-N 498.403 1.545 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760528306 YSGDBUBVWAONIJ-UHFFFAOYSA-N 499.641 1.755 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ccccc3C)CC2)nnc1[C@@]1(OCC)CCOC1 1760528897 QCFOPPDHCBOAIS-XMMPIXPASA-N 454.575 1.867 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1760559132 JLPGWIDJXIZIBL-VJANTYMQSA-N 454.593 1.466 30 10 JDEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)N(C)C)CC1 1760563547 VIMINOZMWVXKJS-UHFFFAOYSA-N 472.615 1.846 30 10 JDEE CC[C@@H](C)c1nnc(N(CCOC)Cc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1763548615 CNQCDCHSFWEBFM-VGSWGCGISA-N 461.588 1.866 30 10 JDEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CC1 1763948872 DDZJXBKUYCHJPE-NHCUHLMSSA-N 494.644 1.574 30 10 JDEE CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1766686360 BAGNVGZJHFVTRR-UHFFFAOYSA-N 482.614 1.697 30 10 JDEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CO)CC1 1766848057 BMJPGHNMQAZQGO-JOCHJYFZSA-N 465.602 1.968 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 1858334324 FMZZGIISFBIPOP-QGZVFWFLSA-N 474.564 1.427 30 10 JDEE COCCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3-c3ccc4c[nH]nc4c3)cc2C1=O 1870141906 QBSHQWWKQNGCFJ-UHFFFAOYSA-N 470.449 1.900 30 10 JDEE CC(=O)Nc1cccc(-n2nnc(C#N)c2NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1870155578 URGINYZCDYHWMF-UHFFFAOYSA-N 488.420 1.630 30 10 JDEE CC(C)C[C@H](C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1)N1C(=O)c2ccccc2C1=O 1890368675 YUISPHHCVQMXNZ-RUZDIDTESA-N 494.636 1.956 30 10 JDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCC(=O)NCc2ccccc2)OC1(C)C 2247901868 PZZKAZJUTMINIZ-UHFFFAOYSA-N 451.379 1.178 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2255752729 KYTNWDRCQXMELC-STQMWFEESA-N 456.374 1.053 30 10 JDEE Cc1c(C(=O)N[C@]2(CO)CCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281804189 IGSVFONLLWKEQP-JOCHJYFZSA-N 464.372 1.129 30 10 JDEE CO[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@](C)(CNC(=O)OC(C)(C)C)C1 2281978914 KGKGJZWVXSJZAT-PEBXRYMYSA-N 464.372 1.853 30 10 JDEE C[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)[C@H](CNC(=O)OC(C)(C)C)C1 2282173375 IIFPQWIWCAHRFX-CABCVRRESA-N 463.388 1.880 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)C(F)(F)F)C2 2282192216 UQGLCBYMXPVWDF-CFVMTHIKSA-N 455.286 1.996 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC1[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2282330948 HOBPUKFZSHJWHD-ROUUACIJSA-N 472.420 1.518 30 10 JDEE CON([C@@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282333318 MVBGPTNLWDXHQC-CQSZACIVSA-N 486.400 1.281 30 10 JDEE CC(C)(C)OC(=O)NC1[C@H]2C[C@H]1CN(S(=O)(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2282349119 UVNXQMNUNWRODQ-GJZGRUSLSA-N 479.408 1.915 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=[S@]2(=O)CC[C@H](CNC(=O)OC(C)(C)C)C2)n1 2282552374 PWBBIJFFHJFUBG-GSLRCMBYSA-N 482.412 1.872 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C 2282861496 OTCKQYXDORFWKQ-HNNXBMFYSA-N 484.428 1.787 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCO1 2283066846 BUADKPFDHQHQIM-GJZGRUSLSA-N 462.356 1.578 30 10 JDEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C 2283934224 XEGDEDRMPBXKRR-GXTWGEPZSA-N 482.412 1.730 30 10 JDEE CC1(C)OB(c2cccnc2C(=O)N[C@]2(C(=O)O)CCN(Cc3ccccc3)C2)OC1(C)C 2284476158 HHUYACBJHLIQCX-XMMPIXPASA-N 451.332 1.840 30 10 JDEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(C=CC(=O)O)cc2)n([C@@H]2CCS(=O)(=O)C2)[nH]1 2331674998 UCBBKQIMCCTEBN-GOSISDBHSA-N 471.539 1.588 30 10 JDEE CO[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2339878242 JFVQICFCDDJEHZ-MRXNPFEDSA-N 470.397 1.804 30 10 JDEE CCOC(=O)CCc1c(C)nc2ncnn2c1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 23454773 VSKJQXQAIYSCOT-UHFFFAOYSA-N 483.554 1.311 30 10 JDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2cccc(OC)c2OC)[C@H](C#N)C(=O)N3)CC1 72444587 XMCKKPNNXCMJJX-DOTOQJQBSA-N 481.509 1.790 30 10 JDEE CC(=O)OCC(=O)[C@]1(O)[C@H](OC(C)=O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 139078887 XDZRYSBQKQXWMD-YHSXULGKSA-N 460.523 1.670 30 10 JDEE C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)COC(=O)[C@@H](N)CCC(=O)O 253505083 PMBTXCFVSKWSHR-MGYLVVDUSA-N 491.581 1.525 30 10 JDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCCC(=O)NCCC(=O)O)C(=O)[C@]12C 1075947822 QDQKPMVKDKYAQJ-PMILPSSXSA-N 486.477 1.139 30 10 JDEE Cn1nnnc1-c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1131017062 FZNHQKOWACUDFW-UHFFFAOYSA-N 451.512 1.788 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)s1 1135779955 LXOHAAOJBUHGDW-KRWDZBQOSA-N 453.586 1.846 30 10 JDEE C=CCNC(=O)c1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 1198691549 CLBUFWJXLDRMJD-UHFFFAOYSA-N 451.531 1.583 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1286377604 ZDFMGTDNVOVPEN-ZJPYXAASSA-N 479.603 1.274 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1286382633 JWJXIMRWGOBUMU-LJQANCHMSA-N 482.522 1.932 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1286384059 PFCBKDLNAUWVQR-UWJYYQICSA-N 479.990 1.654 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1286392779 NTGMHIZDRPWZHS-WOJBJXKFSA-N 458.584 1.953 30 10 JDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1286457348 MKYWBSPAECRVFT-KSZLIROESA-N 455.625 1.816 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCSC2)n1 1286471781 QQCFNTJQOPXTJR-IEBWSBKVSA-N 457.604 1.855 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2CN(C)C(C)C)CC1 1286478763 CAUBCZNYVNQGIL-QHCPKHFHSA-N 484.670 1.824 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccn(C)n2)CC1 1286487389 NVJQLPSEXFGNHD-UHFFFAOYSA-N 462.514 1.795 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCCN2CCN(CC)CC2)CC1 1286492721 IJTRHHLZMNSGGV-QHCPKHFHSA-N 485.677 1.556 30 10 JDEE C=C(Br)Cn1c(CC)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1286539617 AWFVHZAGRPLNIC-MGPQQGTHSA-N 490.424 1.876 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1286565837 LKMHZECCEUZWRG-NFBKMPQASA-N 460.623 1.930 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1286601984 ZOUTXNADTKLEFE-KRWDZBQOSA-N 474.591 1.074 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286743967 ZHPNOKACEFDLOH-GOTSBHOMSA-N 476.599 1.672 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1286789628 GWLSVZMIAFGCSR-UHFFFAOYSA-N 485.980 1.933 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2F)CC1 1286818212 DOVWVODAARWCRF-UHFFFAOYSA-N 459.551 1.745 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccco1 1286820190 GUFWPHDBDKZFLZ-AEFFLSMTSA-N 499.615 1.146 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1286825383 QIZIYVQAMYLQGF-YESZJQIVSA-N 483.591 1.512 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1286967458 DRDOAENXNNZTCV-HLAWJBBLSA-N 472.615 1.677 30 10 JDEE CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)c1=O 1295941389 CXBGYYFEZYCOMK-UHFFFAOYSA-N 481.582 1.565 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1CCCN1CCC[C@H]1C(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300492044 LHIVOKCRICSGAC-UXHICEINSA-N 476.647 1.115 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1300496927 WLVUDNBIUBZKGC-PMACEKPBSA-N 460.604 1.702 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)[C@@H](C)[C@H](C)O3)CC1 1300683536 PIWWTMYTNULCSX-BZSNNMDCSA-N 472.615 1.576 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC2(S(C)(=O)=O)CCC2)CC1 1300721877 BOWMPPRHURZGCK-UHFFFAOYSA-N 470.599 1.582 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccsc2)CC1 1300734488 VONKCQDNNLDQJV-HNNXBMFYSA-N 482.657 1.279 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CN1CCCCC1 1300806371 STXRRHVDBPPUOX-TXTKFYIRSA-N 478.663 1.725 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1300892783 VMSRLFGFFITRRA-GJYPPUQNSA-N 479.628 1.874 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1S(C)(=O)=O 1301351312 PKMIAMNZXKASNF-MJGOQNOKSA-N 476.578 1.985 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1301478508 LXXRIKVUVCSZEK-IBGZPJMESA-N 474.569 1.938 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1301483823 XCRNYMNJKWKDOM-CHWSQXEVSA-N 451.281 1.452 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1301586776 JJPMRTMOXQIZFU-LJQANCHMSA-N 474.631 1.554 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCCCO1 1303861049 DISKWYBNAZNARX-FUHWJXTLSA-N 474.591 1.051 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCC[C@@H]2NC(=O)NC2=O)c1 1358901490 MUMDXCLSGQFXJV-SFHVURJKSA-N 474.525 1.328 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1358902101 FFFCGEDYTUPCMY-KRWDZBQOSA-N 465.539 1.226 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1358955433 LVQMGXNFVRLKSA-ZWKOTPCHSA-N 452.625 1.019 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cc(F)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1358956013 YMMDGPLMBQMZQN-GOSISDBHSA-N 475.546 1.337 30 10 JDEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1358959482 JRBILACXSHMGBI-MBSDFSHPSA-N 490.582 1.131 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1358966096 HVIWTAMLKXLTPS-WAOWUJCRSA-N 461.588 1.008 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccnc(OC(F)F)c2)CC1 1359029284 STWHWSINGXSYPZ-UHFFFAOYSA-N 468.468 1.725 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCCN(CC)S(C)(=O)=O)CC1 1359036754 HVNAKCSLGGZYFD-UHFFFAOYSA-N 458.632 1.604 30 10 JDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1359036870 MILVJXLFRKXFJY-KRWDZBQOSA-N 478.569 1.184 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1359048660 YGYIOYXATGNARQ-INIZCTEOSA-N 476.628 1.725 30 10 JDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1359228572 HBZRLEYFLWXMTP-NFBKMPQASA-N 467.618 1.845 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)CC 1359256549 JMPFZOBOQPEBTJ-LJQANCHMSA-N 456.572 1.723 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c(c1)CCO2 1359272283 OEYFJDMOWFZHTG-NRFANRHFSA-N 473.599 1.967 30 10 JDEE CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCS(C)(=O)=O)C[C@H]2C)CC1 1359380252 IDMQTDDIMVTBJX-GCJKJVERSA-N 499.641 1.240 30 10 JDEE C[C@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCC(F)(F)F 1360474003 DZGFPZHHGPWIRF-GFCCVEGCSA-N 472.497 1.655 30 10 JDEE C=CCOC[C@@H](NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC)C(=O)OC 1448471539 DMHRWAPFRZFARD-LJQANCHMSA-N 452.463 1.965 30 10 JDEE CNS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](F)(C#N)C1 1503834760 FKVFLZUSVTUZBL-FOIQADDNSA-N 485.586 1.384 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCO2)c1 1507550893 RRXMQDKMGKOJKK-PKOBYXMFSA-N 457.556 1.415 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCOC[C@H]2C1 1507577150 PKOHKZANJGAARA-LJQANCHMSA-N 458.588 1.130 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1507628919 QPSVGHCXQDPLIC-OAQYLSRUSA-N 467.599 1.896 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@@]2(O)CCO[C@@H]2C)n1 1507717816 ZDYSCGJVNHDIMS-RFWXGWTQSA-N 458.563 1.542 30 10 JDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(S(C)(=O)=O)CC1 1507750829 FUHWCTCGMIRRAQ-GOSISDBHSA-N 463.585 1.239 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCSC2(CCOCC2)C1 1508138992 BNPACYIJIFFOGH-UHFFFAOYSA-N 450.590 1.438 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1508145368 MASITLQPLCUKLQ-UHFFFAOYSA-N 491.662 1.847 30 10 JDEE CCN1CCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1515877544 GBRUXNOIWNBUPR-PZJWPPBQSA-N 467.574 1.554 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1539204772 DFJSLMOQGDGXCV-NVXWUHKLSA-N 466.585 1.010 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1539231009 NKIRMZCWKJKYLH-NNWRFLSQSA-N 487.626 1.965 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccsc1 1539415216 BIDMCKMNPLMZIN-KRWDZBQOSA-N 453.590 1.001 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCOC(C)(C)C2)CC1 1539431850 XKGAVWRENWQQBR-XMMPIXPASA-N 460.623 1.185 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)c2nc(C)cs2)CC1 1539466744 FNCLMJQJENTYNV-OAHLLOKOSA-N 457.604 1.951 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1539482212 JZZKVCGZIBICOR-INIZCTEOSA-N 491.564 1.548 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1539538633 KGGRMXZNVHQMDM-PNLZDCPESA-N 487.634 1.381 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1ccc(CS(C)(=O)=O)cc1 1539562688 ALBLHRXZWWAQGB-HSZRJFAPSA-N 455.584 1.986 30 10 JDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1539601277 YNNHFEMPMAAMRL-IUOOZAAYSA-N 490.424 1.117 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1COCCO1 1540134244 PRASIWSCPMWNMO-DOTOQJQBSA-N 453.540 1.635 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1540876890 FHWSEUNRDMCZPC-UNMCSNQZSA-N 498.584 1.763 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1540902108 ASEPLGLHCAFGJE-IBGZPJMESA-N 476.578 1.291 30 10 JDEE C=CCNC(=O)CNC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 1546179792 XTUKZDFBXRJVSL-UHFFFAOYSA-N 456.568 1.225 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1588028798 ACCDOETVPLXKJZ-CEXJFXJFSA-N 489.573 1.662 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1588046109 XITJOSHJYHVOCZ-CQSZACIVSA-N 459.482 1.743 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1CCCN1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 1588065454 YVMHRTZNJYQKSP-HXUWFJFHSA-N 463.648 1.484 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1588070097 WLTWOIOUEATZQU-MJGOQNOKSA-N 491.520 1.780 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588074676 PSCASXMFPDGQDU-KJJMTIBFSA-N 493.674 1.893 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncc(F)cn2)CC1 1589295364 FHBQJIFKJLNPMJ-LBPRGKRZSA-N 489.375 1.053 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1595497357 YYFAXZZTZKGBSQ-UHFFFAOYSA-N 493.572 1.828 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(=O)NCCC)CC1 1595516573 HIISTANPNXHFLT-UHFFFAOYSA-N 454.531 1.719 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)OC)C1 1595537515 SAMYFOZPFKBJFD-QGZVFWFLSA-N 493.568 1.757 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1595788718 HVCVABYFTHEZCL-RBUKOAKNSA-N 481.619 1.385 30 10 JDEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)CC1=O 1607566501 BUCRIXQFEONWCN-UHFFFAOYSA-N 481.601 1.756 30 10 JDEE C#CCN(CC#CC)CC(=O)NCCN1C(=O)S/C(=C/c2ccc(OC)c(OC)c2)C1=O 1615664993 IAGOPVUMUQCBAK-HMMYKYKNSA-N 455.536 1.815 30 10 JDEE C=C(C)CN1CCC(NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 1632863355 XBZWIDKOLCHMLD-QRQLOZEOSA-N 455.621 1.813 30 10 JDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCC(CS(N)(=O)=O)CC2)cc1 1658099818 GKAXYAQIKUWNRA-UHFFFAOYSA-N 459.572 1.913 30 10 JDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1 1659920092 YCPKKPVOAIXCGH-UHFFFAOYSA-N 450.923 1.967 30 10 JDEE C=C(C)CN1CCC(NC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)CC1 1678374317 RFZMJPOAANJLOJ-MSOLQXFVSA-N 456.609 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1.565 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1689989545 GQJNPGSOKAOCFS-OALUTQOASA-N 474.583 1.864 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1(C)C 1690019080 AIMCLUDRMFBQPO-IAGOWNOFSA-N 451.618 1.216 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCCN2CC)CC1 1690115268 ZAJSTCJOYPWTIB-OAQYLSRUSA-N 470.643 1.978 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2nccs2)CC1 1690156366 WHWQFXQNUCGOOV-HZPDHXFCSA-N 483.689 1.594 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC 1690206227 KDVAGBHHBFPFFN-IIBYNOLFSA-N 482.607 1.128 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1 1690245667 LHLOGPPVANFGQV-MKXGPGLRSA-N 490.605 1.879 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2nc(C)cs2)CC1 1690288392 WRGSWLMSEYZEPF-INIZCTEOSA-N 467.621 1.279 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1690484986 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C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 1705566450 NNTFEEBIJUJBGN-MOPGFXCFSA-N 474.583 1.864 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Cc1ccc(OC)cc1 1705599005 TYRHMFKTNQCPGA-NZQKXSOJSA-N 499.637 1.961 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccsc1)N(C)C 1705628660 MMQHVRKRGYRXEU-MSOLQXFVSA-N 451.618 1.631 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCN2CCOC[C@H]2C)CC1 1705642790 HGTXBVNJXQESHF-OAQYLSRUSA-N 452.603 1.895 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C(N)=O)nc2)CC1 1705648304 QJMHCAOYIBEDNV-LJQANCHMSA-N 451.531 1.028 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1705725504 FBZMRCLXYOYSAX-LJQANCHMSA-N 490.634 1.427 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1705906103 SBZFYJCBNMTHNF-OAQYLSRUSA-N 452.607 1.171 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705908130 JCFOYMDSQBBRQJ-UHFFFAOYSA-N 480.598 1.768 30 10 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C[C@@H](C#N)CN(C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722868648 CRMCBXCGSCTJPO-JKSUJKDBSA-N 450.540 1.874 30 10 JDEE COc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)cc(OC)c1OC 1729990589 FICPEDGRZHELJT-HOCLYGCPSA-N 463.560 1.993 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2Cc2cnnn2C)c1 1740564914 CDGDSWYSRFFMBH-UHFFFAOYSA-N 489.565 1.503 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccc(C)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740615793 LFFHOOACVSFZON-YADHBBJMSA-N 498.653 1.752 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1740620695 WZDITNACJXFUSY-UDTLNKQYSA-N 469.567 1.373 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1740628712 ZTIFGGBGYLEDKJ-FQEVSTJZSA-N 457.600 1.853 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)COCCO1 1740677624 YCTJHUZDKZCPNM-GCJKJVERSA-N 462.547 1.765 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1cnn(C)c1 1740711223 KAGZQQALECFGSJ-UHFFFAOYSA-N 473.628 1.932 30 10 JDEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740882576 QJMIWRDGZGCTKF-UHFFFAOYSA-N 465.558 1.984 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1740899604 FCBSPHFFWVCVAZ-QZTJIDSGSA-N 498.650 1.880 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCS(=O)(=O)C1 1740922651 OCTDCXJSFVAZPE-CVEARBPZSA-N 487.673 1.967 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCS(=O)(=O)C1 1740922653 OCTDCXJSFVAZPE-HZPDHXFCSA-N 487.673 1.967 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)[C@H]1CC 1740968235 FVWKXXOFTXOKGW-NVXWUHKLSA-N 462.576 1.216 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H]1CCOC1 1740987217 CGAZLAUTQXMEBX-QGZVFWFLSA-N 483.616 1.021 30 10 JDEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740998568 NZTKWRVXWQSUOR-UHFFFAOYSA-N 486.642 1.854 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCOc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1748801684 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C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1760515080 KFECSFMUIFPZRB-OAHLLOKOSA-N 491.350 1.618 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1760521907 HFUBWIVYIIABCG-MAUKXSAKSA-N 463.560 1.352 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCc1nnc2n1CCCCC2 1761465532 DKIUBVZVZGGBNQ-QGZVFWFLSA-N 497.629 1.957 30 10 JDEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)CC1 1762053933 CEGHWEXALURROR-QGZVFWFLSA-N 462.562 1.030 30 10 JDEE COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)c(F)c1 1768642594 GIXRLHRONSHOST-INIZCTEOSA-N 493.547 1.989 30 10 JDEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)NCCC(=O)O)cc21 1858806910 GJZXKSIHWOAJLN-UHFFFAOYSA-N 454.439 1.851 30 10 JDEE CC(C)[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(C(N)=O)CC1 1868784668 XWVBQXVBHMKOKM-QUCCMNQESA-N 459.616 1.889 30 10 JDEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CCS(=O)(=O)C1 2206630044 SYEGHHNWMXTSCZ-OAQYLSRUSA-N 481.380 1.401 30 10 JDEE CN(CCN(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)OCc1ccccc1 2255740535 ZAIRYUYDCZBSGB-UHFFFAOYSA-N 493.395 1.003 30 10 JDEE CCc1nc(C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2255802708 CTBOBOARQSCBDR-GFCCVEGCSA-N 455.386 1.620 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C(F)(F)C1 2256619111 VTEVDQBEKLMFAP-JTQLQIEISA-N 460.312 1.700 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2266064316 ANXQEBTWWYUFAC-DZKIICNBSA-N 453.320 1.273 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2267141716 YPXWXPIFGNONPP-DZGCQCFKSA-N 450.345 1.057 30 10 JDEE CC(C)(C)OC(=O)NCCCOCCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267172722 CVIIMZQQCRXYEG-UHFFFAOYSA-N 450.345 1.437 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC1(CCOCc2ccccc2)CC1 2267358198 XSBNSOLGVVEVJD-UHFFFAOYSA-N 462.381 1.532 30 10 JDEE 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459.572 1.603 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286564330 GCGUXLFRGHVXTP-AZUAARDMSA-N 460.579 1.067 30 10 JDEE C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1286591556 FPILRJGKSMMYRW-UHFFFAOYSA-N 450.613 1.744 30 10 JDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1286602229 VUIDZPAQUAPTGR-HBMCJLEFSA-N 454.575 1.927 30 10 JDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1286612954 ZUYXSJUNDUQMGA-NRFANRHFSA-N 460.623 1.899 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C(C)C)N1CCCC1)C1CC1 1286738354 TYDSPFYLKXVMCN-VQTJNVASSA-N 466.652 1.886 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1286779537 JEPWCKVMCDERMY-IRXDYDNUSA-N 466.583 1.750 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1286782284 PVESEHOLRYSAAF-QFBILLFUSA-N 476.603 1.359 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](COC)C1 1286787638 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C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)C)CC1 1300886029 VBVXFFZFBFOBLT-HKBOAZHASA-N 496.678 1.513 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1301485245 UAAJZPJVWSWTHA-BBRMVZONSA-N 487.504 1.807 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1301498199 KOPZTJCNVVGYJY-GOSISDBHSA-N 469.521 1.023 30 10 JDEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)Cn3cnnn3)CC2)cc1 1301524907 DRVZRFPFBBJXJJ-UHFFFAOYSA-N 479.589 1.815 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1301585294 LCJZVUJHLNBYEA-UHFFFAOYSA-N 458.588 1.894 30 10 JDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(N2CCOCC2)CCSC1 1301799317 CRFSNPQQFOZULA-QFIPXVFZSA-N 477.635 1.088 30 10 JDEE CSCC[C@H](NC(=O)COc1ccccc1)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1302291071 AJQQLCINUMGZEB-KRWDZBQOSA-N 458.544 1.373 30 10 JDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2CCS(=O)(=O)N2CCSCC2)C1 1303939392 DQOXGNAJCGWYEP-NRFANRHFSA-N 475.644 1.773 30 10 JDEE CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1306547659 DPXFGLZPRCDGQX-HKUYNNGSSA-N 479.589 1.375 30 10 JDEE COC(=O)c1cn(C2CCN(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)nn1 1312485095 HDEKRDPQGMQGTQ-GOSISDBHSA-N 451.487 1.478 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCCCC2)C1 1314674022 FJLWVVDXMDBAGU-FQEVSTJZSA-N 457.604 1.773 30 10 JDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(OCCO)c(OC)c1 1358948397 BQNXPWGOVBVFOG-UHFFFAOYSA-N 477.569 1.950 30 10 JDEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1358961357 XFFDNMQNYYECPP-MRXNPFEDSA-N 468.583 1.825 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(C(N)=O)CCCC1 1358971518 YNNJKJCPQMYOKK-UHFFFAOYSA-N 467.599 1.665 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCNS(C)(=O)=O 1359020354 ZXMMUSMRCNULIG-HNNXBMFYSA-N 451.618 1.767 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@H](C)N2CCOCC2)CC1 1359043480 VLAAWZSANCXYFU-SFHVURJKSA-N 454.550 1.771 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN(CC)S(C)(=O)=O 1359067101 APKZSUJUDMDJFO-JOCHJYFZSA-N 483.602 1.585 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)Cc1cnn(C)c1 1359298772 LKRUERHESSWZIQ-UHFFFAOYSA-N 461.530 1.347 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1359301813 LSUCLWRCIACWQF-IBGZPJMESA-N 476.578 1.315 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CC(N)=O)C1 1359310590 ZYXNGLGSEFKEEQ-MJGOQNOKSA-N 473.599 1.885 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1359331496 AYGADKJSZPWRSP-GOSISDBHSA-N 469.571 1.028 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359342653 BYBMTVBNZQYFDE-INIZCTEOSA-N 455.650 1.794 30 10 JDEE Cn1cc(-c2nnc(N3CCCN(Cc4ccc(C#N)cc4)CC3)n2CC(=O)NCC(F)F)cn1 1503652069 HLLMBJKBXXERHT-UHFFFAOYSA-N 483.527 1.644 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1507635660 UMDKZCFWALWXDN-SFHVURJKSA-N 486.623 1.907 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C)n1 1507670819 CIFLDVXSVKBEAK-SFHVURJKSA-N 462.601 1.082 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1cnnn1 1507701633 MYFHEJUJWHFWQR-KRWDZBQOSA-N 458.523 1.036 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCS(=O)(=O)NC(C)C)CC1 1507735392 VDTHLZVEMIYKCG-UHFFFAOYSA-N 493.033 1.892 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1508093700 WNGVCADLPSWZOY-UXHICEINSA-N 452.515 1.415 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1508125242 HYLBIZJXHAMQTD-GCJKJVERSA-N 462.572 1.208 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CC[C@@H]3CCO[C@H](C)C3)CC2)c1C#N 1511663005 CNZGDGIWWZQIEI-IEBWSBKVSA-N 483.621 1.862 30 10 JDEE CNC(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)c1 1517494032 BFJWLEMJCHBJLI-LJQANCHMSA-N 456.572 1.718 30 10 JDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN1c1cnn(C)c1 1539288458 GLDLHRQUAZVECD-GOSISDBHSA-N 462.583 1.745 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CCO[C@H]2C)n1 1539424660 VEMVTCLYZDXPGN-CYFREDJKSA-N 465.558 1.671 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1539688898 VFGFCWQGNGXEBT-HXUWFJFHSA-N 488.614 1.599 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCNC2=O)CC1 1539903221 UUZNMRICACHFNI-HNNXBMFYSA-N 453.613 1.485 30 10 JDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C(=O)NCCOC)CC1 1540857041 RZGCBUDAQPNLPW-UHFFFAOYSA-N 461.592 1.403 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1540877273 PFNVNAZKXSJNGX-REWPJTCUSA-N 488.633 1.923 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(=O)NCC(F)F)C1 1540889466 MRYZAWMTJTWUCK-CYBMUJFWSA-N 459.457 1.757 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1540897001 YHOCNBANESAWKU-VJANTYMQSA-N 454.593 1.608 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1540899856 CJHBJLUWOAHWHL-UHFFFAOYSA-N 492.627 1.278 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1540902206 CQBDLFMOYADDBK-RBUKOAKNSA-N 464.592 1.531 30 10 JDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(C(=O)NCc2cccnc2)CC1 1543585003 GOPWZNSIBHQTMR-MRXNPFEDSA-N 455.540 1.175 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC1 1556504010 HPNGNMDMJNCQST-UHFFFAOYSA-N 454.571 1.416 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cn2ccc(C)cc2n1)[C@@H]1CCS(=O)(=O)C1 1588025185 VCJNUCMWZKJIRV-GOSISDBHSA-N 469.571 1.047 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(=O)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588055376 VRPZEUDFEYZYFF-WOJBJXKFSA-N 471.583 1.067 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC1(O)CCS(=O)(=O)CC1 1588559382 FYJWQZAYYDVQLO-UHFFFAOYSA-N 489.573 1.119 30 10 JDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccnc1N1CCOCC1 1588673149 LZSOKZWVFZNWIP-UHFFFAOYSA-N 464.574 1.506 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CCSC2)n1 1588722887 HZYMNQOPWWSRJC-QHCPKHFHSA-N 467.599 1.999 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1593636617 OMDKQUCOFMSADV-NQIIRXRSSA-N 465.551 1.424 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1594788303 KGGGPGKMNBKGED-QFIPXVFZSA-N 462.572 1.937 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1595550566 FWQWEEBLFKSQRU-ICSRJNTNSA-N 491.589 1.807 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1595551152 MNJWMVGNISGKML-YJBOKZPZSA-N 480.566 1.250 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1595555928 KRRVNCLMIHBDSM-UHFFFAOYSA-N 478.594 1.561 30 10 JDEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](S(C)(=O)=O)C2)cc1 1595639442 AGVMUNFIXVWUDX-IBGZPJMESA-N 459.572 1.637 30 10 JDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 1621737433 FCMKRPNZBRVMIB-UHFFFAOYSA-N 453.540 1.617 30 10 JDEE C=C(C)C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O)C(=O)OC 1624256215 GJVCKDDITUFZPH-KUHUBIRLSA-N 452.305 1.840 30 10 JDEE C#CCN(C(=O)CNS(=O)(=O)CCCOC)[C@@H]1CCOc2ccc(Br)cc21 1629238182 DRPLIIRHFKRSTM-MRXNPFEDSA-N 459.362 1.690 30 10 JDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1689901051 ADDCJRCPFDHYKU-FGZHOGPDSA-N 483.661 1.831 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689993699 JQOUMYBPNGTNOE-WMZHIEFXSA-N 457.600 1.832 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sccc1C 1690104023 KMIRUTGSANKOSW-QGZVFWFLSA-N 467.617 1.310 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1F 1690104480 XZKAMYSLZCBLIW-SFHVURJKSA-N 485.969 1.538 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ncnn2-c2ccccc2)CC1 1690110415 LNXACICHUBQIRK-UHFFFAOYSA-N 461.574 1.581 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2nc(C(C)C)cs2)CC1 1690143741 AIFBSNGBUDQUDM-INIZCTEOSA-N 455.588 1.823 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N1CCOCC1 1690189943 GYXGJRBFNRKMFS-ZCVJKFOLSA-N 486.642 1.954 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1690227573 BURXDOYEVLMPQG-AWEZNQCLSA-N 475.413 1.388 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1690288289 QLXBCRMZLHPXHJ-QGZVFWFLSA-N 470.596 1.102 30 10 JDEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)c(=O)n1C 1693100899 AVXACMGSSFPJNH-OAQYLSRUSA-N 496.593 1.798 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705534935 WDRDBOCLJJZETF-SJORKVTESA-N 459.551 1.214 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1705559668 APCJZZGDGBRSAU-QPPBQGQZSA-N 493.674 1.821 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1705563278 ULZWTOQWCARLRK-QGZVFWFLSA-N 467.580 1.906 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccc(F)c1)N(C)C 1705582656 GRHAJIQELPEBDR-LEWJYISDSA-N 488.589 1.126 30 10 JDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CC(F)(F)CO1 1705626963 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C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1722361663 ODZWFKGWZKWJJC-HXUWFJFHSA-N 481.582 1.284 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCCOC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1722361705 OKZKUGHVKKARTA-RBUKOAKNSA-N 459.572 1.553 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(OCCC)nc1)[C@@H]1CCS(=O)(=O)C1 1722370893 FRDJAQQMWNIOON-OAQYLSRUSA-N 497.625 1.999 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCOC1 1722396074 FQLCHWFIYBSARR-WZONZLPQSA-N 459.547 1.201 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2CN(C)C(C)C)CC1 1722431822 ONWWQMREBQBAEA-HXUWFJFHSA-N 487.674 1.532 30 10 JDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCN2CCSCC2)CC1 1722442372 YYUPFCDFVHPLBE-UHFFFAOYSA-N 454.644 1.876 30 10 JDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC(N)=O)CC1 1722534728 QGQXHCGTIXZMPV-UHFFFAOYSA-N 465.558 1.877 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1722702082 KHYIUJFDMXVYTE-UHFFFAOYSA-N 480.573 1.261 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722705767 HMHIKVNWLSEMDX-LJQANCHMSA-N 488.976 1.640 30 10 JDEE C=CCSCCn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1722739951 NCAKTEBAIKOVDB-OAQYLSRUSA-N 450.609 1.843 30 10 JDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1723590027 CPNYJRXZWBHQEC-OPAMFIHVSA-N 456.526 1.527 30 10 JDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](N2CCOCC2)C(F)(F)F)CCO1 1730589406 CSOOZLAXSBMPPS-OALUTQOASA-N 480.491 1.931 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCNS(=O)(=O)Cc1ccon1 1740547483 VSRSQZIVBJQKKW-OAHLLOKOSA-N 453.528 1.992 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cn[nH]c2)c1 1740564289 IFPGCFPQHDQYEF-SFHVURJKSA-N 467.555 1.202 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1740625286 PJRFNFHUGJUNKM-UFYCRDLUSA-N 450.605 1.689 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1740625443 FNDZOJOTLJSMOO-VQTJNVASSA-N 471.583 1.554 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1740640374 LYZQIOFNNPZMMZ-HSALFYBXSA-N 491.658 1.914 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(N(C)C)CCCCC2)CC1 1740689904 KESIMQLUQHJIBH-UHFFFAOYSA-N 450.591 1.945 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cnn(CC(C)C)c2C)CC1 1740696001 IXQJPKPYGVRXQD-LJQANCHMSA-N 459.620 1.145 30 10 JDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740793636 VCQGBKDCYGYRDP-UHFFFAOYSA-N 494.618 1.849 30 10 JDEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1740808280 FDVAJFQJFSQRQE-INIZCTEOSA-N 454.984 1.667 30 10 JDEE C=CCCOCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1740886343 DSFAOORHQOBQCE-UHFFFAOYSA-N 496.612 1.163 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740940502 IJTXEKJYQIQFTI-MRXNPFEDSA-N 487.586 1.514 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1740956285 JJSCLAYSJGADLI-CQSZACIVSA-N 487.927 1.572 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(C[C@H]2CCOC2)CC1 1740992150 BOIKCWVXJJKPBT-LJQANCHMSA-N 477.606 1.767 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC(N(C)S(=O)(=O)CC)CC2)nnc1C(C)(C)C 1740994530 SESJCHQMEMWWIK-UHFFFAOYSA-N 461.654 1.427 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740996748 RGDSEEIWPNMUOK-UHFFFAOYSA-N 493.597 1.665 30 10 JDEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)c1=O 1746363689 GELUOLIDSAHZKR-OAQYLSRUSA-N 461.526 1.388 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(N(C)C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1748809951 XVJCHMZOSIYRJI-NRFANRHFSA-N 482.610 1.554 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748814835 JVKDCUMXGUAPCT-QAPCUYQASA-N 463.560 1.304 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1748825196 WJLKDYHDJLVBQY-OKXSDPAFSA-N 476.624 1.703 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(F)(F)C1 1748891804 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1.851 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1286767763 DVRJNFOSGRISQV-UHFFFAOYSA-N 486.598 1.656 30 10 JDEE C=CCn1c([C@H](C)OCCOC)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1286770840 KXGSXYKUWQFODD-HZMVEIRTSA-N 485.607 1.315 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC(N3CCCC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1286825717 VRWIYIOQHFRZFJ-JOCHJYFZSA-N 481.619 1.122 30 10 JDEE CC(C)NC(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1288199472 GYCKYBBLWJUZGR-IEBWSBKVSA-N 467.578 1.811 30 10 JDEE CC[C@H](C)N(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1291773589 IBDSBQSZQMARHC-FUHWJXTLSA-N 453.613 1.081 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1COCCO1 1292116379 AKIFZLAEEDSMNX-IBGZPJMESA-N 468.562 1.205 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCN2CCOC[C@H]2C)c1 1300334023 HGMCFWKQXOICBN-UYAOXDASSA-N 452.559 1.559 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1CC1CCN(CCN(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1300492036 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485.614 1.427 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(S(C)(=O)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1588046145 YGEBQKBTCXJNJB-QGZVFWFLSA-N 492.623 1.548 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588069334 LVMBSSWECQNOQB-WOJBJXKFSA-N 469.611 1.605 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1588074001 GXEAEVVXJIDXSG-GUDVDZBRSA-N 484.688 1.939 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1588078048 AKKMRFYVGBUKIM-DEOSSOPVSA-N 464.957 1.945 30 10 JDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc2c(s1)C[C@H](C)CC2 1588574564 MCDVJDLQGQVMKT-CABCVRRESA-N 466.633 1.604 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCOC(C)C)CC1 1588898994 KAEFZRQBJDCUBN-UHFFFAOYSA-N 473.599 1.739 30 10 JDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CC1)CNC(=O)C2 1589110792 ZVFSWVFZUSIHLP-UHFFFAOYSA-N 458.613 1.743 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN2CCN(CC)CC2)CC1 1594194575 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C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359288944 KVAOHKLMLBQVCD-UHFFFAOYSA-N 487.674 1.689 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1359300669 IABFCVJZQRBAEC-UGSOOPFHSA-N 479.525 1.012 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1359311075 PKLCTHANBLSFSI-QGZVFWFLSA-N 476.578 1.589 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCSC2)C1 1359321417 GEEBSTBRIJZLQD-KURKYZTESA-N 471.649 1.536 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1359332506 ZFPIRCRDRZKCTJ-HXUWFJFHSA-N 488.614 1.546 30 10 JDEE CC(=O)N1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C#N)[C@H](c3ccccc3)C2)C1 1359368964 RQLSMNWBLRSGKB-YKWDRNOUSA-N 499.641 1.890 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccn1 1360475458 AWYPJJBIPXREFV-SJORKVTESA-N 461.592 1.722 30 10 JDEE C#CCN(C(=O)NC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1478917405 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1508072127 FBJPAKXJZOZPIC-HNNXBMFYSA-N 492.577 1.429 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1508088180 XPJJBMGPBJDXKV-LJQANCHMSA-N 456.522 1.138 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC1 1508144037 AABDCIQREMPIJQ-INIZCTEOSA-N 471.580 1.024 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NCC)CC1 1508148491 IKSASLZIPQQEJI-UHFFFAOYSA-N 497.021 1.963 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CC[C@H]3CCO[C@@H](C)C3)CC2)c1C#N 1511663003 CNZGDGIWWZQIEI-HKUYNNGSSA-N 483.621 1.862 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(C)=O)CC1 1516823528 BVYKEFVROMFXPZ-UHFFFAOYSA-N 487.630 1.841 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1539205953 KTJIBTDPTFKEDH-NVXWUHKLSA-N 479.990 1.834 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCSC1 1539325039 ADXVVQSTOWLFEG-ZWKOTPCHSA-N 451.618 1.217 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1539434903 XLMKHBKYWAVWKH-SFHVURJKSA-N 473.599 1.542 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCCn2cc(CO)nn2)CC1 1539475809 ORMUBBPLEDWKLT-UHFFFAOYSA-N 478.557 1.094 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1539483326 XJXPTIZEFZHKGP-MZNJEOGPSA-N 455.534 1.514 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCNC(=O)c2ccco2)CC1 1539484115 CPFIAPRFQFWSOM-UHFFFAOYSA-N 481.582 1.623 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1539644076 NWLBPCPINZYYSC-QKLQHJQFSA-N 451.593 1.395 30 10 JDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1539723204 OWTZMPFGALSFOU-QESAQDPVSA-N 460.623 1.957 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1540036925 XSXRPZOCAPSDFL-GOSISDBHSA-N 469.608 1.688 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1540120295 NBZQALKMNYRUAX-FXAWDEMLSA-N 453.536 1.390 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1540854868 JVWDDHAUITUOBJ-AEFFLSMTSA-N 461.588 1.902 30 10 JDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCCOc1ccc(S(C)(=O)=O)cc1 1540858427 WKMIIPAXLUCJCB-MRXNPFEDSA-N 468.601 1.675 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)ccc1F 1557173604 PURSFBOJKGOIMI-ZDUSSCGKSA-N 451.442 1.963 30 10 JDEE CCCCN1C(=O)C[C@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)[C@@H]1c1ccc(OC)cc1 1557599542 BRCBNRWXPXULLP-ICSRJNTNSA-N 453.499 1.335 30 10 JDEE C#C[C@@H]1COCCN1C(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)cc1 1584770750 IYVCHYZPZFIOEE-RTBURBONSA-N 454.552 1.973 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN2CCOCC2)C1 1587705364 CCHIMTJXNYSIAY-RTBURBONSA-N 452.625 1.240 30 10 JDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1588030311 SJTSDPGFGKNAAU-MJGOQNOKSA-N 492.001 1.525 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC)nc1OC)[C@H]1CCS(=O)(=O)C1 1588053053 ANVMQBGSSGPOSV-ROUUACIJSA-N 475.571 1.607 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CCN1CCCS1(=O)=O 1588549951 DFMITPMJRHKCHF-LJQANCHMSA-N 461.563 1.987 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1588890552 BVAQYHQQOOHUHF-QKKBWIMNSA-N 491.390 1.541 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(C(N)=O)CCCC2)CC1 1588908464 QZZOZLNHWXUVLR-UHFFFAOYSA-N 494.596 1.974 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1588913454 KGHVZPVVUUZXSW-INIZCTEOSA-N 459.547 1.485 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)Cc1ccccc1 1589215628 CGPYNQFEEKSLNB-SIKLNZKXSA-N 476.624 1.787 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1595405136 DIFPCSUGYQZBTR-OAHLLOKOSA-N 489.524 1.854 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(Br)cc1 1595477396 UFUIDGNLRPTNRU-ZDUSSCGKSA-N 485.408 1.589 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1595562373 WVGTYLCAJYSJCB-UHFFFAOYSA-N 494.644 1.337 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(Cc3ccc(C#N)cc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1595602158 GAIJLTTZYUZEMG-SANMLTNESA-N 493.612 1.815 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(c2ccnc(C)n2)CC1 1595785214 UOOILROMOWCUTC-UHFFFAOYSA-N 483.598 1.980 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCNC(=O)C1 1595823391 NMWZZTQNWUWMHC-UHFFFAOYSA-N 461.588 1.826 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@](O)(C(F)(F)F)C3)nnc12 1611144643 QSDCGDHQFUIHKI-GOSISDBHSA-N 453.446 1.848 30 10 JDEE CCS(=O)(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C)CC1 1617341192 GBMONSIZWODGHF-SFHVURJKSA-N 489.646 1.929 30 10 JDEE CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1)S(C)(=O)=O 1617787126 HLEVWYPYGRXEEO-QGZVFWFLSA-N 492.627 1.112 30 10 JDEE C=CCN(C(=O)c1cn(CCOc2ccc(C=O)cc2Cl)nn1)[C@H]1CCS(=O)(=O)C1 1626456133 FIOMTBWHRNZDTR-HNNXBMFYSA-N 452.920 1.638 30 10 JDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1627769232 ATUMMQAEVUNGPT-UHFFFAOYSA-N 452.515 1.396 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(S(N)(=O)=O)c(Br)c2)c1 1630546445 JFCHQZMHWJZXTH-UHFFFAOYSA-N 450.314 1.789 30 10 JDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cc2c(cc1OC(F)F)OCO2 1631695804 AOLFZZZXEWSCDS-NSHDSACASA-N 453.423 1.872 30 10 JDEE C#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(C(=O)OC)cs3)CC2)cc1 1666206233 JONHZPQIWSKKOQ-UHFFFAOYSA-N 454.551 1.211 30 10 JDEE C#CCN(C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 1677528003 PNPXLHLMHHMIIQ-DOTOQJQBSA-N 455.483 1.615 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CC)CCC(F)(F)F 1689852891 MAVPQDSGJMDHON-HZPDHXFCSA-N 480.557 1.343 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)OCCc2sccc21 1689966244 NLRMUPOQFNUXLR-OXQOHEQNSA-N 465.601 1.230 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1689981757 AQRYXNYDPCKAQJ-OPAMFIHVSA-N 493.536 1.652 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(C(N)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1689984994 ZTDHHVYVRLUJIX-GOSISDBHSA-N 480.550 1.123 30 10 JDEE C#CCN(c1nnc(COCC)n1CCN1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1689997214 XSIWDUQQLUOPTC-OAQYLSRUSA-N 457.600 1.500 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CCOCC1 1690043418 ALBZFPYJHNMVQO-UHFFFAOYSA-N 460.538 1.679 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC2(S(C)(=O)=O)CCC2)CC1 1690142544 PZFCFDMSNROUPJ-UHFFFAOYSA-N 456.572 1.273 30 10 JDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690183303 STFVKDCCGCXNMJ-UHFFFAOYSA-N 493.637 1.840 30 10 JDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1690643776 VNXSVMOKLTUMGA-IBGZPJMESA-N 472.615 1.744 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCOC[C@@H](C3CCC3)C2)nnc1[C@@]1(OCC)CCOC1 1690731577 MLZXYAKYIJBGQH-SIKLNZKXSA-N 468.620 1.784 30 10 JDEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690744060 JHTWQIVSIPYYSG-GOSISDBHSA-N 477.660 1.995 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](OC)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1705559103 QYSRHICXOIKAEO-KSZLIROESA-N 451.593 1.202 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CC(F)(F)CO2)n1 1705631334 AWAOILWYZHZYSQ-AEFFLSMTSA-N 450.490 1.689 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@]2(O)CCO[C@@H]2C)n1 1705631354 BMPCHQCEYUTWKM-DNVFCKCGSA-N 458.563 1.195 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1705652157 RETNKJCRLMYKEP-IBGZPJMESA-N 497.735 1.250 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](COC)C1 1705654547 MBKHLRKQFHUHLK-QGZVFWFLSA-N 450.586 1.567 30 10 JDEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1705889578 KIWKFOZWGBRHOV-UHFFFAOYSA-N 464.574 1.461 30 10 JDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1705889716 ZDZKHRPNHJNHHZ-INIZCTEOSA-N 472.571 1.408 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1705908609 FGJNUBGTHMNULB-QZTJIDSGSA-N 453.547 1.990 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@@H](CN2CCOCC2)C1 1705932749 JWAAIHUDIGCNAW-SFHVURJKSA-N 463.579 1.844 30 10 JDEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1705949364 WWFAZTKGTUQCEX-UHFFFAOYSA-N 455.581 1.997 30 10 JDEE CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CCO1 1706687351 BDKBVVFQPWJJBI-NHCUHLMSSA-N 488.614 1.871 30 10 JDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC(C)(C)C1 1708151102 AXKXZZIZTXXDDU-GOSISDBHSA-N 467.574 1.506 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CC(C)C)n1CC1(O)CCS(=O)(=O)CC1 1712442610 CYRYVIILJLPOOP-UHFFFAOYSA-N 475.615 1.941 30 10 JDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)C[C@@H]1C 1712486115 DBQUGPDKMGPOAR-SFHVURJKSA-N 472.615 1.798 30 10 JDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncccc2N(C)C)CCN1S(C)(=O)=O 1712845747 AWSVJUMQFKBWBZ-KRWDZBQOSA-N 480.598 1.796 30 10 JDEE C#CCN(c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1722367214 KYFCRLMMVYYVKI-ZWKOTPCHSA-N 498.609 1.898 30 10 JDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1722380391 LNFWVSCDPDYVEE-KRWDZBQOSA-N 462.485 1.562 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)N(C)C)CC1 1722437392 MFMGSSHFHLUATM-RTBURBONSA-N 461.611 1.292 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC(N)=O 1722505257 JNYUBKPRGXNDKU-ZOCZFRKYSA-N 465.558 1.873 30 10 JDEE C=C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCNS(=O)(=O)CC)CC1 1722563559 PUTDXEDHBBRUPW-UHFFFAOYSA-N 467.621 1.334 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C(=O)OC(C)(C)C 1722640887 UBSBMZBKOQUADG-HNNXBMFYSA-N 458.585 1.100 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1722652769 MBCYCVBJXMBRRC-HSZRJFAPSA-N 489.598 1.265 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CCOC1 1722723820 GGWWCJIFTJQOAI-CQSZACIVSA-N 458.382 1.872 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1722725277 HZYKIMJNHQHVCK-UHFFFAOYSA-N 480.594 1.964 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(OC2CCCC2)CC1 1722726147 XCUGPQLBRNZMSP-UHFFFAOYSA-N 453.609 1.945 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C#N)C1 1728649060 HXFWXRIPCAYZNF-QFIPXVFZSA-N 494.644 1.534 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1729342185 BPPSFMIMEJZXBU-IBGZPJMESA-N 454.560 1.783 30 10 JDEE N#C[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCNC(=O)c2cc[nH]n2)CCO1 1731188468 GEMQFXOHGWPJIP-NSHDSACASA-N 477.348 1.651 30 10 JDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1740578539 CJBMGTCJLWRORN-KRWDZBQOSA-N 458.567 1.632 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1740624939 LKCRFJWDCCRIGB-AVRDEDQJSA-N 476.002 1.627 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCc1ccco1 1740640099 YXTHKZLYUFKBON-UHFFFAOYSA-N 458.526 1.434 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCSC1 1740686715 WYFUUNDPQCVAIH-JTSKRJEESA-N 481.619 1.541 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1740689504 DLVXXNDPSGSJDR-NRFANRHFSA-N 459.639 1.309 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCNS(=O)(=O)c2ccccc2)CC1 1740702710 WGNCYVSPCIVBLS-UHFFFAOYSA-N 472.615 1.520 30 10 JDEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)CN3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1740851993 GYDXDCPCZNUVQF-RUZDIDTESA-N 490.649 1.513 30 10 JDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740884982 SKSZKOBQNJXAQA-UGKGYDQZSA-N 468.606 1.707 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1740954090 BNDSJJRHFGGNOI-UHFFFAOYSA-N 473.541 1.553 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1740959331 SCKMNAGGBLSCEF-INIZCTEOSA-N 478.557 1.589 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3cccc(O)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740964679 GPCKLNGSWNCYAX-DEOSSOPVSA-N 470.574 1.653 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)cc1 1740965113 DFJHHKJEDWDJJY-SFHVURJKSA-N 459.572 1.751 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(S(C)(=O)=O)CCC1 1748673083 YYSQONLBHUHGHN-KRWDZBQOSA-N 457.604 1.877 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CC1(NC(=O)OC(C)(C)C)COC1)[C@@H]1CCS(=O)(=O)C1 1748801481 AQXMHRZQGZRNNJ-MRXNPFEDSA-N 467.592 1.322 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1748820630 GGNMLEYSPAIRKC-IRXDYDNUSA-N 459.538 1.742 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1748821168 MVWVJVCBKSNBKS-RTBURBONSA-N 471.583 1.379 30 10 JDEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748856315 YVSDNMWKZZTVBR-HXUWFJFHSA-N 455.584 1.828 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC2(OCCOC)CCOCC2)CC1 1749011053 ZASPMFGOZQNWFM-UHFFFAOYSA-N 459.591 1.724 30 10 JDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1749082609 CLAAYJUQVUXVGL-CQSZACIVSA-N 475.413 1.188 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCCc2ccccc2)C1 1749690011 PYDGDFPASYXWSI-HXUWFJFHSA-N 452.559 1.654 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ncc(F)cn2)CC1 1749730832 SGAGAWNSYUCYHK-UHFFFAOYSA-N 472.550 1.505 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1751002991 HEOVEMCDFDFSRN-UHFFFAOYSA-N 498.613 1.926 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1760095070 FPIPYVWTXFGZMY-LJQANCHMSA-N 450.587 1.977 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCN(C(C)=O)CC1 1760096116 GBVGTJZQOJRNBT-LJQANCHMSA-N 451.575 1.769 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCC(=O)NC2CC2)c1 1760128606 NITBUMOISYXXRN-LJQANCHMSA-N 463.542 1.344 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760187797 GTSWLEIKFNMUPB-OTWHNJEPSA-N 474.631 1.788 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1760206140 RKVWVIBJMVACJB-QGZVFWFLSA-N 461.588 1.653 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCCn1cc(Br)cn1 1760248587 NRSFVMZTCHGLHZ-OAHLLOKOSA-N 450.341 1.365 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1760249189 WPLRJGANVMXBGC-VXKWHMMOSA-N 466.586 1.606 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCC2(O)CCOCC2)CC1 1760254604 CENLOKRKVQJYHZ-UHFFFAOYSA-N 485.585 1.658 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1760262675 WGYBBUVWPSDERY-LJQANCHMSA-N 463.508 1.282 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cncn2)C1 1760300219 BSKALJGIMYKEKY-STQMWFEESA-N 459.374 1.230 30 10 JDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1760424960 AJYLIRYLMFZCNT-RTWAWAEBSA-N 459.639 1.817 30 10 JDEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760444067 WGJLAELBSKWTMS-UHFFFAOYSA-N 456.522 1.890 30 10 JDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1760506527 COQNXDJHFRPWEO-GOSISDBHSA-N 460.604 1.746 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C3CCOCC3)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1760529107 XCAFFVXNTGSSKI-DVECYGJZSA-N 476.622 1.310 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(N2CCNC2=O)CC1 1760552187 FPMXRDICMNJGRH-UHFFFAOYSA-N 462.551 1.679 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](NC(C)=O)C1 1760556707 NNEAEAMUSHBBQE-INIZCTEOSA-N 452.606 1.340 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCCCC2)C(=O)C1 1760558926 FPIHUFYKODQBLM-RXVVDRJESA-N 495.646 1.584 30 10 JDEE C[C@](O)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)c1cccs1 1761511881 DOSZLWLUZIVUBW-CCKFTAQKSA-N 484.579 1.022 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCC2=O)CC1 1767213971 GEUNNLCULHYKPT-UHFFFAOYSA-N 478.601 1.477 30 10 JDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCS(=O)(=O)CC1CC1 1767931722 AGDONBLYFCNZTF-UHFFFAOYSA-N 459.576 1.233 30 10 JDEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2c[nH]nc2-c2ccccc2)c(=O)n1-c1ccccc1 1772724910 WBQIBVDBMORCAE-UHFFFAOYSA-N 483.553 1.651 30 10 JDEE COc1ccc2nc(N3CCN(S(=O)(=O)c4nnc(NC(C)=O)s4)CC3)c(C#N)cc2c1 1857959591 IDEFWNCMOXELII-UHFFFAOYSA-N 473.540 1.436 30 10 JDEE C=CCN=c1nc(Nc2ccc(N3CCN(C)CC3)cc2)[nH]c(N2CCN(C(=O)OCC)CC2)n1 1871657010 LWDOMHREYPHRAJ-UHFFFAOYSA-N 481.605 1.665 30 10 JDEE COC(=O)[C@@H](CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2124541941 YEZIFUOCIIKUNM-CYBMUJFWSA-N 450.301 1.171 30 10 JDEE CN(CCCOCc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255747655 OZNRBAAEQAVVNF-UHFFFAOYSA-N 450.370 1.342 30 10 JDEE CO[C@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255802755 DFYIFRKIKGRJOC-KGLIPLIRSA-N 453.370 1.806 30 10 JDEE C=C(CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@]1(C)CO)B1OC(C)(C)C(C)(C)O1 2255952360 RVLOYYNKYJWPTL-FQEVSTJZSA-N 460.402 1.808 30 10 JDEE Cn1nc(C(=O)NCCCOCCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267127619 SRXKURSNRFLGQZ-UHFFFAOYSA-N 452.361 1.381 30 10 JDEE Cn1cc(C(=O)N[C@H]2C[C@H](F)CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267184395 MJWQIEXGTLLAIL-KBPBESRZSA-N 452.336 1.797 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2267367579 VTCKMZBRVAXWGJ-KGLIPLIRSA-N 470.401 1.443 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CO 2267538956 XNBHDZUHAZKDTC-HIFRSBDPSA-N 467.397 1.790 30 10 JDEE CCOC(=O)CN(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2269018168 ZSCDPCMROZOJPA-UHFFFAOYSA-N 463.365 1.473 30 10 JDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2282310938 AQZXUPNSEXFNNK-IAGOWNOFSA-N 482.408 1.553 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)n1 2282504675 SFOUMCJPHPUPRJ-NRFANRHFSA-N 484.428 1.645 30 10 JDEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2282698988 GLBLBHVIGOYXMK-CABCVRRESA-N 463.388 1.880 30 10 JDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C 2282871224 CYVOFKUNSOLPKO-HNNXBMFYSA-N 486.396 1.158 30 10 JDEE CC1(C)OB(c2nccnc2C(=O)NC2(CN)CCN(Cc3ccccc3)CC2)OC1(C)C 2283067822 GCRLHVAJKDXQNP-UHFFFAOYSA-N 451.380 1.499 30 10 JDEE CCn1cc(C(=O)N[C@H](C(=O)O)[C@H](C)OCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2284430420 UAUHUIBDYSRFSJ-YJBOKZPZSA-N 457.336 1.991 30 10 JDEE Cc1c(C(=O)N(CCNC(=O)OC(C)(C)C)C[C@@H](C)O)nn(C)c1B1OC(C)(C)C(C)(C)O1 2285351258 VGEHHXPYDXIIBW-CQSZACIVSA-N 466.388 1.375 30 10 JDEE Cc1c(C(=O)N(CCNC(=O)OC(C)(C)C)C[C@@H](C)O)c(B2OC(C)(C)C(C)(C)O2)nn1C 2285399004 XNDZANOYFWKSLW-CQSZACIVSA-N 466.388 1.375 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@@H](OCCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2289962321 YGQSWZCUMJSHHK-OAHLLOKOSA-N 464.372 1.855 30 10 JDEE COc1cc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc(Cl)c1O 2329013076 QPOVMKXRXBQYPW-GFCCVEGCSA-N 466.951 1.830 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)s1 2359278839 PNTOVFBYVSUEGJ-HRCADAONSA-N 482.408 1.427 30 10 JDEE COc1ccc(-n2c(=O)/c(=C/c3cccs3)s/c2=C(/C#N)C(=O)N2CCN(C)CC2)cc1 13135939 CNRZNTIEGRHJGU-FYNIDAKTSA-N 466.588 1.246 30 10 JDEE COc1ccccc1NC(=O)CSc1nnc(N/N=C/c2cc([N+](=O)[O-])ccc2O)n1N 20527368 IPGGVEXXYVXSJT-AWQFTUOYSA-N 458.460 1.791 30 10 JDEE CCOc1ccc(-n2c(=O)/c(=C/c3ccccn3)s/c2=C(/C#N)C(=O)N2CCOCC2)cc1 105753410 ZHXDKLKBSPYGKF-XITLWQRKSA-N 462.531 1.055 30 10 JDEE COC(=O)c1ccc(CN2C(=O)[C@H]3[C@H](C2=O)[C@@](CC(=O)O)(C(=O)O)N[C@H]3c2ccccc2C#N)cc1 247861936 WELNZUHWMBIGEV-ZDQHKECQSA-N 491.456 1.089 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OCC)c(=O)n1C[C@@H]1CCCO1 500520781 YLMVMRXJNMCJPY-KRWDZBQOSA-N 484.534 1.201 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H]3CCCN3CCOC)nnc12 524350479 SKCSKCDNLKLYPP-MRXNPFEDSA-N 456.572 1.549 30 10 JDEE C#CCN(C(=O)CCCS(=O)(=O)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 731003835 OSINVPKZEZAFFI-OAHLLOKOSA-N 462.387 1.652 30 10 JDEE C[C@H](OC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C(=O)Nc1sc2c(c1C#N)CCC2 913378529 CUFDJMZTGWHWLD-JTQLQIEISA-N 453.480 1.238 30 10 JDEE COc1ccc(CNC(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)cc1OC 1083985326 LFSFKMDRBUUHML-UHFFFAOYSA-N 457.516 1.569 30 10 JDEE COc1ccccc1C=NNc1nc(SCC(=O)N2CCN(CC(=O)NC(C)C)CC2)n[nH]1 1084631777 DTTYYOBDTYPFEI-UHFFFAOYSA-N 474.591 1.020 30 10 JDEE C=CCN1CC[C@@H](N(C)C(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1=O 1139239608 VVRCRVSRUAOGKS-CYBMUJFWSA-N 453.870 1.882 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(c2ccccc2)CC1 1286322500 FTZOANWPULVUAR-NRFANRHFSA-N 487.626 1.903 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1286350109 VHCURAKQOFSCCJ-AZUAARDMSA-N 494.662 1.402 30 10 JDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCOC[C@@H]1C 1286379048 DBNKDXKMIQBAJS-QFIPXVFZSA-N 451.619 1.433 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(CN2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 1286380025 GBGHWFIJDAFJKH-JOCHJYFZSA-N 498.653 1.687 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1286384522 REKCBCKEOISAAS-REWPJTCUSA-N 473.599 1.503 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286387867 VPRKRDPNSFHOEW-LJQANCHMSA-N 472.615 1.749 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1286390432 ARVTZMRXIFLCBN-OLRZCDJHSA-N 455.631 1.029 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(OC)CCOC1 1286428031 OYAJBTGXBWWQLU-NTKDMRAZSA-N 473.574 1.855 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(F)(F)F 1286429478 BRUIRWVEKKPRIJ-OAHLLOKOSA-N 463.482 1.000 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2nccnc2C)CC1 1286495088 RJKNAUCPVZGROG-FPOVZHCZSA-N 467.574 1.309 30 10 JDEE C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1286601142 KPMUOHUPFPAFFK-UHFFFAOYSA-N 482.585 1.557 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1286688961 UUWOEBQWVYYKDX-QYZOEREBSA-N 452.625 1.640 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccn(C)n1 1286743059 UYBUEDXVAMYUJX-MRXNPFEDSA-N 454.560 1.734 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1286770356 IBXKVZVVGWRMHM-UHFFFAOYSA-N 452.540 1.892 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1286782282 PVESEHOLRYSAAF-APWZRJJASA-N 476.603 1.359 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1286788036 OSCIZGWFFQKHPJ-SJORKVTESA-N 475.571 1.149 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1286788538 YCYWLZYWQXGGML-SFTDATJTSA-N 482.610 1.813 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1286792445 YAPPCAAMKIGWKK-SBUREZEXSA-N 452.515 1.415 30 10 JDEE C[C@@H](C(=O)N1CCCC1)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1286970756 DZCSZGMAGSEKFV-IBGZPJMESA-N 499.641 1.384 30 10 JDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(CS(C)(=O)=O)cc2)n1 1289988176 HWKFXIMVFJEPOX-IBGZPJMESA-N 452.540 1.970 30 10 JDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1295164865 GHBKWCSGWABEAY-XLIONFOSSA-N 458.588 1.551 30 10 JDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1300402794 CGDINCXGBNIAJY-UHFFFAOYSA-N 479.632 1.170 30 10 JDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1300455691 PBHWODRYWSQAJE-INIZCTEOSA-N 454.556 1.569 30 10 JDEE C#CCN(c1nnc(-c2ccc(Br)s2)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1300485071 WJUUBEHYFYIOLI-LBPRGKRZSA-N 496.416 1.573 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300496873 VPRMEWVBXRDJQF-FGTMMUONSA-N 468.645 1.633 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCCNS(=O)(=O)CC)CC1 1300697733 ITFNWRAPNIMOOZ-UHFFFAOYSA-N 483.598 1.685 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2cccc(OC)c2)CC1 1300726843 RUIISWVBHKAHBP-OAQYLSRUSA-N 494.596 1.577 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCC2(COC)CCC2)CC1 1300729220 RBYMURLQPBDNCR-UHFFFAOYSA-N 456.591 1.573 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccco1 1300989898 HEBHDOHLWBHHSI-SJLPKXTDSA-N 453.565 1.994 30 10 JDEE C=CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1301231348 IDFYBIZGTRAWAN-UHFFFAOYSA-N 482.585 1.639 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1301485418 WDDQWBXTFVDQKN-UHFFFAOYSA-N 495.627 1.054 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCS(=O)(=O)N(C)C)C1 1301543943 RDBBGTHCJDUPIX-KRWDZBQOSA-N 483.616 1.021 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1301568807 YDOBJBFXTJNSKV-UHFFFAOYSA-N 494.643 1.431 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1301579850 ZCKBWFNPCPFNQG-SSEXGKCCSA-N 462.601 1.653 30 10 JDEE C#CCN(CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1307563855 SGZDLGKWDNBHJG-INIZCTEOSA-N 459.490 1.603 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccoc2)c1 1358902234 HZAKADLDIPJVFC-FQEVSTJZSA-N 498.565 1.309 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1358955231 ICZMSTYMRKOHHX-INIZCTEOSA-N 462.601 1.262 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358955762 SSCGFQCMLBLYAP-ZWKOTPCHSA-N 471.587 1.036 30 10 JDEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCN(C)CCOC)[C@H]1CCS(=O)(=O)C1 1358960437 DWYLLPXGAAAVOB-SFHVURJKSA-N 470.599 1.631 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1C[C@@H](C)O[C@H](C)C1 1358994506 OVJKFFGCBXMENQ-GGPKGHCWSA-N 463.604 1.278 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](SC)C(C)(C)C)CC1 1359036460 XAQYQPWZZQCYHK-ZWKOTPCHSA-N 484.692 1.144 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1359040384 SAKLWPFRUHAJDR-UYAOXDASSA-N 458.607 1.977 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC(OCC)C2)CC1 1359043345 QSMHDVSQGNJMDY-UHFFFAOYSA-N 462.554 1.713 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCCN2CCC)CC1 1359044911 RKFSHYLKDVCLQK-WOJBJXKFSA-N 455.607 1.460 30 10 JDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1359051021 JWGHGMWHIMJLHT-KRWDZBQOSA-N 466.571 1.852 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CCOCC1 1359070376 LPZCCUFVANHHJZ-YLJYHZDGSA-N 483.660 1.515 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(N(C)C)c2)CC1 1359165589 SBPMARMBXNVGON-FQEVSTJZSA-N 460.604 1.882 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@]2(CCc3ccccc32)C1 1359293215 KIGZYCFXACVSCW-MHECFPHRSA-N 455.559 1.983 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359299774 NEFMHYMKYLKFFI-SJORKVTESA-N 496.634 1.318 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1359303405 NDJXNYQMBZGGSK-INIZCTEOSA-N 474.587 1.304 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1359334223 XMGGIRFWPPSPLO-QFIPXVFZSA-N 460.604 1.166 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCCC(=O)N(C)C 1360237434 FOILKQKBJBTWRL-UHFFFAOYSA-N 483.577 1.348 30 10 JDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)C2)nc1 1468538122 GPEMYQFWRANIBM-RBUKOAKNSA-N 456.524 1.704 30 10 JDEE C=CC[S@](=O)(=NC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)c1ccccc1 1472274805 CABFVECGFDVLKE-MUUNZHRXSA-N 455.945 1.957 30 10 JDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1507589602 MKNIDZHBXLDLPX-HXUWFJFHSA-N 462.602 1.967 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccs1)N1CCCC1 1507616109 GJBFVMGRHLBOOI-ROUUACIJSA-N 478.644 1.579 30 10 JDEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(N2CCOCC2)n1)[C@@H]1CCS(=O)(=O)C1 1507622032 FGSHROKQASQDFU-LJQANCHMSA-N 458.588 1.308 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)CN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1507633165 BZVZOEAAJVWADX-GMAHTHKFSA-N 499.685 1.164 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(OC)CCC(C)CC2)CC1 1507738538 QYQSOOWWWDPICA-ZIYFGUEUSA-N 456.591 1.790 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1507774440 FMGMVSRGANCVTN-HUUCEWRRSA-N 471.400 1.692 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCO[C@@H]1C 1508007780 IAWOJSXFNNNGFR-QINHECLXSA-N 452.602 1.974 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](OC)C1 1508140315 MNUZAHIZIXQFTP-HNNXBMFYSA-N 458.544 1.018 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1508143174 FEFIPOJTQIKCIZ-QFIPXVFZSA-N 461.588 1.639 30 10 JDEE C[C@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1510103832 BDCZTEYLELXWHZ-NQIIRXRSSA-N 472.615 1.798 30 10 JDEE COc1cccc(C[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n2nnnc2C)c1 1522315871 DWKCMRHEWFRDBA-YADHBBJMSA-N 459.510 1.957 30 10 JDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1531905179 CCHPJUIXPNYDOP-HBUWYVDXSA-N 450.561 1.875 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1539094487 QJFHADBZROUQHF-MRXNPFEDSA-N 479.006 1.918 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539200813 PAIPCFZUNCEYAU-ROKPMTFOSA-N 490.674 1.651 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(NC(C)=O)c1 1539326691 YCLXDESGEMJQLR-NRFANRHFSA-N 484.582 1.081 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1539440935 FBKOQDSZLGZGCC-AREMUKBSSA-N 482.629 1.954 30 10 JDEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(C)=O)CC1 1539524701 NGTUEZSVDPHVCD-UHFFFAOYSA-N 481.670 1.678 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1539750752 CHCAVLMZVOCKCV-GOSISDBHSA-N 480.660 1.860 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC(=O)NCC)CC1 1540866141 DERMLTFYYOACEL-UHFFFAOYSA-N 480.400 1.812 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(c2ccccc2)CC1 1540904044 JRCTZBMLVPLKLO-SFHVURJKSA-N 494.639 1.269 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1540906988 IKEDMNYEFPIZFO-SFHVURJKSA-N 464.636 1.312 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2F)CC1 1540909229 BJHYSQUNZXKITJ-OAHLLOKOSA-N 469.612 1.668 30 10 JDEE CCN(CC)C(=O)CCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1547410349 ABIUABHXOOTTDH-OALUTQOASA-N 481.605 1.807 30 10 JDEE COC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)C1 1555362907 DKIDNQOGCIZNOW-KRWDZBQOSA-N 471.543 1.397 30 10 JDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(c2nccs2)CC1 1555817683 HMMNOARCPQIURC-UHFFFAOYSA-N 472.600 1.539 30 10 JDEE COCCN(CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC(C)(C)C 1556075629 GRONXHPBRZWLSD-HNNXBMFYSA-N 454.549 1.225 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)c2ccc(S(=O)(=O)N(C)C)cc2)ccc1F 1586232495 RJYAEHIJUFYWPH-UHFFFAOYSA-N 455.533 1.817 30 10 JDEE N#Cc1ccc(CN2CCN(C(=O)[C@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)CC2)cc1 1586913284 DDNNPSIBMVLFFG-JTHBVZDNSA-N 450.514 1.546 30 10 JDEE C#CCCCn1c(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1587893270 AYGLUUQWOYOYKX-CYFREDJKSA-N 458.607 1.521 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588050662 UIQQZYOATFHHDS-LJQANCHMSA-N 484.626 1.924 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCNC(=O)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1588054920 PYMYKJFQSJCLBC-MSOLQXFVSA-N 489.573 1.368 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1588065085 TYAMTEDUSFZZAO-FQEVSTJZSA-N 468.583 1.480 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588074123 JOYRUEFXXLLOLC-ZGXWSNOMSA-N 479.647 1.644 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1588218793 CKGAXLIENJWVKC-UHFFFAOYSA-N 455.482 1.210 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCN(c2ccncc2)CC1 1588388187 YKZCBDXXVCNUJC-HXUWFJFHSA-N 471.631 1.247 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC2(CC1)OCCO2 1589496140 WOWYVUOQWBYBFE-SCTDSRPQSA-N 483.635 1.991 30 10 JDEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1594608276 IPIYNGHYXHFIAA-UHFFFAOYSA-N 471.587 1.630 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1595467567 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C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689998467 MVPJDSDZGOJYLH-GUDVDZBRSA-N 477.631 1.350 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)N1CCOCC1 1690017878 NWJJGOYCAONNKN-UHFFFAOYSA-N 484.601 1.714 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1cccn1 1690019236 DLXNMHNWPVMKRU-LJQANCHMSA-N 453.547 1.946 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CCS(=O)(=O)NC 1690096762 ZXRYQGSIVAIQTF-UHFFFAOYSA-N 456.366 1.343 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[S@@](=O)CC)CC1 1690113691 QNKNZNBKNNMEJX-MHZLTWQESA-N 453.410 1.570 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@H]2COCCO2)CC1 1690117579 MZPPAWDWPNNXPN-QGZVFWFLSA-N 476.375 1.887 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1690146166 HJDNFZSCQGANQH-NRFANRHFSA-N 499.637 1.784 30 10 JDEE C=C(C)Cn1c(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690297663 BAYYICRPBGURTJ-QFIPXVFZSA-N 493.634 1.448 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1690309605 FHXTWGMWDKIZTA-HXUWFJFHSA-N 473.622 1.347 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(O)c2)CC1 1690485408 SAKOPFJYKWQTPI-FQEVSTJZSA-N 476.603 1.609 30 10 JDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1690497155 INXLEQXGQKNQMV-UHFFFAOYSA-N 476.541 1.876 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690666702 DKMWEAFZARSMLZ-UHFFFAOYSA-N 459.982 1.547 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2sccc2[C@H]1CC 1690672013 FWKACZWVYKWWCX-IAGOWNOFSA-N 494.643 1.489 30 10 JDEE Cn1cc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCS(C)(=O)=O)CC2)cn1 1696858611 GDLOIAGDOQKLBL-UHFFFAOYSA-N 454.560 1.312 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCSC2)C1 1698312290 DTYCZOPMJFJUMC-IAGOWNOFSA-N 454.622 1.494 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705560313 JRPWBEYGJPNFDG-VJANTYMQSA-N 454.593 1.301 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cscc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705564646 CATOMCZYFYSXQO-DZGCQCFKSA-N 487.529 1.985 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1705568740 UOSWIXHIMIJRAV-ZWKOTPCHSA-N 461.519 1.340 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCNS(C)(=O)=O 1705694764 FCCRLNWYBYHRSC-PXNSSMCTSA-N 477.587 1.683 30 10 JDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705821810 JDOXAEFWULSLET-FPOVZHCZSA-N 457.623 1.746 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nncn2-c2ccccc2)C1 1705915081 IBTSKJIOZTXLOS-AEFFLSMTSA-N 472.575 1.299 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1722358729 FEOHUIPEIXSTOD-KRWDZBQOSA-N 471.004 1.660 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CC1CCN(CCN(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1722359089 PSKLWAVDCOHCOC-HXUWFJFHSA-N 450.653 1.302 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1722359603 UYUWMRNFAJBAAA-MRXNPFEDSA-N 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C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC2CC2)CC1 1508073137 MDQZYNJUFXAEGA-UHFFFAOYSA-N 487.630 1.030 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](COC)C1 1508077289 LZGPTQYABLSTTO-LBPRGKRZSA-N 456.366 1.923 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3cc(F)cc(F)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1508096720 CMRAZYDBTOXGMG-HSZRJFAPSA-N 476.528 1.837 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cn3ccccc3n2)C1 1508118039 VZWCBMBJJFZMDK-AEFFLSMTSA-N 459.576 1.560 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccn2)C1 1508124386 LRZSJWYTIUXPBE-OALUTQOASA-N 462.576 1.030 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(S(C)(=O)=O)CC1 1508136067 PEGOCZIJBSULBB-UHFFFAOYSA-N 490.611 1.176 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1508174263 GBGPTWXWFXUSDD-XTQSDGFTSA-N 463.542 1.919 30 10 JDEE CC(C)(O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1508727473 BRPDJLGIPZYARE-RTBURBONSA-N 459.572 1.791 30 10 JDEE 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30 10 JDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1539798319 DVWQGPYDEHJTKT-HUUCEWRRSA-N 464.958 1.784 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1540004538 AVNNQMQLGZZJEU-MSOLQXFVSA-N 452.625 1.183 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CCS(=O)(=O)CC1 1540072904 XWFNPRWICAVFGJ-QGZVFWFLSA-N 483.635 1.955 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1540873922 OIWGYBISXFICBN-UHFFFAOYSA-N 457.482 1.814 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H]1CCCO1 1540902056 YYSVKDZEYYEGQY-OAHLLOKOSA-N 458.544 1.810 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCn2nc(C)nc2C1 1540908866 PUSPSPMEPPLMQM-UHFFFAOYSA-N 461.523 1.517 30 10 JDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1540911434 XUWVJVAJPFWIEB-GOSISDBHSA-N 499.684 1.738 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1541803246 FHWIFCFSBIBVJU-GOEBONIOSA-N 451.574 1.370 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(N2CCOCC2)c1 1541927220 GVRCZZZNYUBDKW-KKSFZXQISA-N 477.566 1.215 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1548326059 BVBCECOXSJVECG-UHFFFAOYSA-N 495.613 1.605 30 10 JDEE CC(=O)NCC(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@H]1C(=O)N(C)C 1548380501 XRNFZFMCYHWCAL-IBGZPJMESA-N 479.503 1.989 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc([C@@H](C)OC)n1 1587638361 DFWDGIYLKWANRB-SQWLQELKSA-N 468.605 1.281 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1CCS(=O)(=O)CC1 1587663485 YNLYDEXRCBHEJK-NRFANRHFSA-N 484.670 1.926 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1588034478 GSPKDTWPHMRART-AVRDEDQJSA-N 466.604 1.516 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1588053300 CELOHNHQQPEHKW-RTBURBONSA-N 459.547 1.628 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1588053934 IXTOEEQGBRDENV-FPOVZHCZSA-N 471.583 1.806 30 10 JDEE C#CCN(c1nnc(CC)n1Cc1ccc(N2CCN(CC)CC2)nc1)[C@H]1CCS(=O)(=O)C1 1588059646 RJGXYNCCBWGXER-FQEVSTJZSA-N 471.631 1.052 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1588070322 YSECWHAYABMHLL-IAGOWNOFSA-N 477.612 1.323 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1588078050 AKKMRFYVGBUKIM-XMMPIXPASA-N 464.957 1.945 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1588200507 SJGWIYHDLBZONQ-SFHVURJKSA-N 464.555 1.209 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)[C@@H](C)CC 1588233436 JCESESFIEDQTHF-FHWLQOOXSA-N 451.593 1.135 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1588947675 SMRZBMHPMZYEDR-UHFFFAOYSA-N 474.606 1.736 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N(C)C)CC1 1594812112 CEDGLINEMZYIIS-GOSISDBHSA-N 453.609 1.468 30 10 JDEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)CC1 1594812344 FLRKDVWXMFWSJO-LJQANCHMSA-N 478.594 1.848 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1595506628 HOPUGGLKVXKZIH-OAHLLOKOSA-N 489.374 1.829 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC)C1 1595659438 YJCYOYWRMISMGE-RTBURBONSA-N 462.572 1.645 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)cc2OC)C1 1595730259 VGTAYKDEFCQKAD-CTNGQTDRSA-N 491.614 1.758 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)NCC)CC1 1595785038 QAUDVPQQZCSYON-UHFFFAOYSA-N 462.576 1.406 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1610269584 BUPMSGBOUBGPHM-UHFFFAOYSA-N 487.630 1.839 30 10 JDEE CCN1CCN([C@@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1615842472 FEFWHSSUFWHWFC-SIKLNZKXSA-N 485.658 1.714 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N(CCC#N)CC3CC3)n2CC[C@@H]2CCCCO2)C1 1620170428 BPXNNRIFNIUNQA-RBUKOAKNSA-N 466.608 1.700 30 10 JDEE C#C[C@H]1CC[C@H](NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)CC1 1637334580 TUCYBXYFUZZHNN-DZKIICNBSA-N 459.490 1.926 30 10 JDEE CCc1nsc(N2CCN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)CC2)n1 1652613963 BHPVDABYUSYLPE-LJQANCHMSA-N 457.579 1.771 30 10 JDEE CC(C)(C)NC(=O)[C@@H]1CCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1655658515 FXUDRTAXNWTBOQ-KRWDZBQOSA-N 454.531 1.834 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1CC(=O)N1CCN(c2ccccc2)CC1 1689827278 CIWANDUSAURBMP-WOJBJXKFSA-N 454.575 1.809 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1689965648 AEXHPEYZXDMGAQ-CEXWTWQISA-N 452.625 1.048 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1690015596 RTYHYGGQCSRHBZ-VJANTYMQSA-N 468.558 1.326 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1690033302 UVSDQOUZHZYGSM-QZTJIDSGSA-N 480.635 1.901 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(C)(=O)=O 1690048497 JUEYQZQPPVONBG-QGZVFWFLSA-N 465.576 1.094 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCCC1 1690096220 PEOFQUIMPTXJMN-UHFFFAOYSA-N 461.588 1.587 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)CC1 1690132515 RYHPESMZOJVPMM-UHFFFAOYSA-N 461.570 1.790 30 10 JDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 1690219512 GQFXJYWCPSKKTL-NXEZZACHSA-N 462.292 1.564 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1690255073 NSTRFPBFWFDBFL-KJWPAHLWSA-N 490.649 1.558 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(-n2cccn2)cc1 1690526765 DCXDPBMFMXBZPW-HXUWFJFHSA-N 471.587 1.662 30 10 JDEE COc1cccc([C@H](Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)N(C)C)c1 1697502289 BJQWWEZYFRBIAC-PMACEKPBSA-N 453.547 1.441 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC(=O)NCC(F)(F)F)CC1 1705641126 SAYICDUSKXZYMQ-UHFFFAOYSA-N 450.465 1.311 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@H](OC)C(F)(F)F)CC1 1705769499 UTHZELYUVNVACL-HUUCEWRRSA-N 467.514 1.735 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCO1 1705879769 KXOPKUDTEGLZGB-WOJBJXKFSA-N 477.587 1.784 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCC(C)(C)C)CC1 1705894788 LJUCQTHWGSYKEM-UHFFFAOYSA-N 454.579 1.786 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1705904949 DGYMCVFRVBMQFA-UHFFFAOYSA-N 459.554 1.837 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1705928404 PTKPDIJTIKJGKF-UHFFFAOYSA-N 489.598 1.695 30 10 JDEE C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)CC1 1706080603 HESFWQLZHXDIMI-KRWDZBQOSA-N 464.574 1.084 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1722360589 AYRBHZFBCYMAPK-VGSWGCGISA-N 460.556 1.386 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1722365170 LGUGUSGCZWSBFX-IBGZPJMESA-N 487.601 1.941 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722371462 WQDLTJDCECLXCB-CTNGQTDRSA-N 498.609 1.076 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCc2ccccc2C1 1722414146 WJWIYNDSFIHOAK-DENIHFKCSA-N 486.642 1.517 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1722433358 SLNVCEQKRVTVAY-VWLOTQADSA-N 474.650 1.575 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)N2CCOCC2)CC1 1722448982 JYJGPIAKOCUUBC-UHFFFAOYSA-N 465.602 1.341 30 10 JDEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 1722461778 GHRSOQFJLBSRND-UHFFFAOYSA-N 465.627 1.975 30 10 JDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1722555644 XIKZDDJTNZWVAY-UHFFFAOYSA-N 479.006 1.972 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC(=O)NC(C)C 1722699450 UVKLJAWYKIVPIB-UHFFFAOYSA-N 477.610 1.656 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1722702067 JZBPUJKCRBVYSJ-RBUKOAKNSA-N 452.559 1.833 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)C[C@@H]1C 1722724191 PSSBKARWENXXAQ-LBPRGKRZSA-N 471.381 1.303 30 10 JDEE CCN1CCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1728589747 GQKIAGAMCHURBY-QFIPXVFZSA-N 494.644 1.813 30 10 JDEE C#CCN(c1nnc([C@@H](C)CC)n1CCOc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1740617911 YUXWYVDGYGEURQ-ZWKOTPCHSA-N 494.639 1.901 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1740621628 XUUNADPFUDHUTN-MRXNPFEDSA-N 482.509 1.972 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCOC[C@H]1C 1740638303 JREDWPAZHICVBC-LJQANCHMSA-N 459.554 1.468 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1740641986 RMAHDIRTJDZNQN-UHFFFAOYSA-N 454.582 1.922 30 10 JDEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1CC1CCS(=O)(=O)CC1 1740687570 BKAQTYYWSCESPK-UHFFFAOYSA-N 450.536 1.907 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2cnn(C)c2)CC1 1740706779 CGHSAFLYXSUTDE-UHFFFAOYSA-N 453.497 1.895 30 10 JDEE C=C(Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NCCOC)CC1)c1ccccc1 1740798704 QJTPBIXPOJYBKW-UHFFFAOYSA-N 463.586 1.882 30 10 JDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1740802946 DDINAWREQKBPHU-QZTJIDSGSA-N 455.003 1.888 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNS(=O)(=O)c2ccccc2)CC1 1740832751 HQDQDBPSQFIUTH-MRXNPFEDSA-N 482.632 1.269 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1740889011 XRDKTUFXBFQWPQ-ROUUACIJSA-N 454.593 1.547 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 1740952148 WAWHSZBIOHGHAG-IBGZPJMESA-N 469.590 1.606 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1740960317 PHYLQUPCPBHTFR-ICSRJNTNSA-N 472.615 1.193 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](OC)C(C)C)C1 1740981501 PBGCOSBVEGTCFK-KZNAEPCWSA-N 457.597 1.063 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2F)C1 1740983028 ZSCXEGAGMWUBBF-HKUYNNGSSA-N 465.551 1.580 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](C)C1 1740990026 GHFULFNUPRNNET-HOTGVXAUSA-N 472.571 1.406 30 10 JDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1743887488 ATMXZDHWHFASCX-QGZVFWFLSA-N 476.589 1.885 30 10 JDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCNC(=O)c1cccc(OC)c1 1744696202 AXSZINWKCQFQOA-KRWDZBQOSA-N 475.557 1.656 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1748803436 YQKAFJRFULMPJY-INIZCTEOSA-N 483.554 1.459 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748803865 AMYJLUJHFZSWNL-NVXWUHKLSA-N 463.535 1.272 30 10 JDEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748906337 BWLJPKOKUFANBM-GOSISDBHSA-N 458.588 1.888 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC(C)(C)C 1748961011 UQPROPZYMKTRED-UHFFFAOYSA-N 465.558 1.583 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCC(F)F)CC1 1748990464 XHPGILCCRQXZPK-UHFFFAOYSA-N 460.533 1.489 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC2=CCCCC2)CC1 1749003926 ANOZLXSJGZHHHQ-QGZVFWFLSA-N 462.620 1.745 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1749043490 HSWXVNQZECTPRW-UHFFFAOYSA-N 479.676 1.756 30 10 JDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1749193770 PNYQQCXXDJBSIT-QGZVFWFLSA-N 467.617 1.479 30 10 JDEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1749196574 ZMWXAIALKBFHSS-QRVBRYPASA-N 488.614 1.967 30 10 JDEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1749196575 ZMWXAIALKBFHSS-QYZOEREBSA-N 488.614 1.967 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1749724402 ISHGNSXZEPNHRU-UHFFFAOYSA-N 483.598 1.864 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1749732216 SPQSIYKXASGYMM-IBGZPJMESA-N 475.619 1.506 30 10 JDEE COCCN1C[C@@H](Cn2c(C(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1=O 1749858410 HVGXAJAKFFQRSP-ROUUACIJSA-N 467.578 1.273 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1760185249 TXBOYVGAYWGQQB-ZDUSSCGKSA-N 471.917 1.607 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 1760187191 IPYLVHSWUOEZGZ-VQIMIIECSA-N 450.511 1.930 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@](C)(O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1760188234 NWUBAODYHUXZFE-JLHGSKIFSA-N 479.002 1.970 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ccc(C(N)=O)nc1)[C@H]1CCS(=O)(=O)C1 1760190372 PNMVVFHQDWFPMG-KRWDZBQOSA-N 470.580 1.099 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccn(C)n1 1760203804 QOMUGTTUOOEIJT-IBGZPJMESA-N 453.547 1.636 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(-c2ccccc2)c1 1760233385 LZAAKWPPTNBVFG-HXUWFJFHSA-N 469.571 1.305 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2C(F)(F)C23CCC3)CC1 1760266134 QMJFKCJONYJYEG-ZBFHGGJFSA-N 484.573 1.290 30 10 JDEE 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C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1539490194 SITKFVFLGKAOHH-OAQYLSRUSA-N 485.610 1.742 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCN(C(=O)C2CC2)CC1 1540866985 HEOKFBIFAGKADO-UHFFFAOYSA-N 468.558 1.713 30 10 JDEE CS(=O)(=O)NCCn1c(Cc2ccccn2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1555818748 FYRWAPZBIZUIEO-UHFFFAOYSA-N 481.582 1.733 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(CN3CCN(C(C)=O)CC3)c2)c1 1556231445 CWEFLCLDNQUVPN-UHFFFAOYSA-N 454.552 1.515 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSc2ccccc21 1587640305 QQBQRVMVRDILLH-BQFCYCMXSA-N 461.613 1.958 30 10 JDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1587883578 FROWMQLMXJZFHZ-UHFFFAOYSA-N 475.553 1.413 30 10 JDEE C#CCN(c1nnc([C@@H](C)CC)n1CCNS(=O)(=O)c1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1588029130 DNNVFQUOKNCGGV-DOTOQJQBSA-N 499.684 1.767 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588030172 PUGVYUBDAYNVBZ-WBVHZDCISA-N 457.622 1.095 30 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C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](C2CC2)N(C)C)c1 1689868882 UHHYWFWEVLSESX-FQEVSTJZSA-N 451.575 1.813 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1689988884 XZZIQMIHYWKNRS-QGZVFWFLSA-N 459.601 1.621 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1689992907 QVIOILJXWTZFFR-HSALFYBXSA-N 479.002 1.689 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1689999996 OVNYBOGSXWZUCU-ICSRJNTNSA-N 471.583 1.486 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)N2CCCCCC2)CC1 1690135394 VQZZPHKYBXBUNB-UNMCSNQZSA-N 458.607 1.550 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2nc(C(C)C)cs2)CC1 1690143742 AIFBSNGBUDQUDM-MRXNPFEDSA-N 455.588 1.823 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1690419304 MUAAFQXBNNTWBY-KRWDZBQOSA-N 482.651 1.566 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1690419951 GHPDTEQMBFONBL-BBWFWOEESA-N 492.650 1.995 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1690667352 ZZZJECPFHAJWLH-UHFFFAOYSA-N 487.568 1.499 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C)C(=O)C1 1690715425 LGEBUUFSDOPZPV-HNNXBMFYSA-N 451.524 1.436 30 10 JDEE CC(C)[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1691555432 HARNLELVLSOAPB-WZONZLPQSA-N 455.538 1.974 30 10 JDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cccs1 1696838817 GWDVOVMPBPDQGD-UHFFFAOYSA-N 458.569 1.789 30 10 JDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1697025176 CRORFXCEVKGJNW-SFHVURJKSA-N 484.586 1.080 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN(C)S(=O)(=O)CC 1705481504 HVIKZPRRIQOXKV-MRXNPFEDSA-N 467.617 1.478 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1705562042 XKORIVSXTGREOZ-DPLHUUCSSA-N 493.674 1.677 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1705562083 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JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1749677559 CZGSWGCZLIXVHU-UHFFFAOYSA-N 453.469 1.790 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1749694164 PAPINMCTNLFJHP-JKSUJKDBSA-N 460.501 1.461 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1749727397 UCOUOCQCHKUCIQ-WMZOPIPTSA-N 481.022 1.751 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCC(C)C)C1 1749734523 KFEHZJWPBAVQCY-SJORKVTESA-N 460.622 1.032 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccccn2)n1C[C@]1(O)CCN(C)C1 1749808470 FBSCMEBZGGWXRJ-VWLOTQADSA-N 461.570 1.855 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCC(=O)N2CCCCC2)c1 1750380869 ACORYJPXHHMHAQ-UHFFFAOYSA-N 465.558 1.690 30 10 JDEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1750532292 HLGBCINHDYTGSI-IBGZPJMESA-N 488.614 1.894 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCC(F)(F)F 1760112810 MMHWFGPTCDQKTG-CQSZACIVSA-N 450.469 1.589 30 10 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459.664 1.590 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C(N)=O)cc1 1760317022 ZTTXIVNWIRPDBS-SNRMKQJTSA-N 476.603 1.605 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760351678 KANBFVVTYXXOME-UHFFFAOYSA-N 463.564 1.036 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1760510210 LCORZIUKHJORGW-KRWDZBQOSA-N 483.541 1.563 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCS(=O)(=O)c2ccccc2)C1 1760541690 GJTBTZKAHGEXJP-IEBWSBKVSA-N 459.572 1.875 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1760548369 FDEFEABHFXOVTH-PMACEKPBSA-N 452.669 1.997 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1760548512 IFKISUHYLJYKKL-IAGOWNOFSA-N 466.608 1.045 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1760554792 MRKFAACYZQZMNF-WBVHZDCISA-N 482.632 1.028 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C)[C@@H](OC)C1 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1.366 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1286395277 MMPXJJZODAYQEK-LJQANCHMSA-N 473.599 1.579 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCCC[C@H]2C)CC1 1286490487 MAIOJCJRFJADEY-QUCCMNQESA-N 455.607 1.460 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCCS(C)(=O)=O)CC1 1286491103 FPNGQEAJBXXADG-UHFFFAOYSA-N 457.600 1.578 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1286492959 RTPCALBIKITFBW-DEOSSOPVSA-N 484.988 1.955 30 10 JDEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(S(C)(=O)=O)CC1 1286500296 VBWKKCVVFAAPMT-UHFFFAOYSA-N 456.597 1.941 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCCN(C)S(=O)(=O)CC 1286515247 GPIQSGMMZOAUBC-RTWAWAEBSA-N 453.609 1.594 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286587922 SZPQQNMBCCCCIJ-SFHVURJKSA-N 479.628 1.929 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1286686863 DGQYORLHCCYWFR-QZTJIDSGSA-N 466.608 1.168 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286784306 DDAZNEMYMKPUBR-UHFFFAOYSA-N 457.560 1.027 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1286829908 HBNOIPBWLCPNTF-INIZCTEOSA-N 474.591 1.206 30 10 JDEE Cc1ccoc1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1289262688 FIDVZKSBUPJNFD-UHFFFAOYSA-N 450.499 1.974 30 10 JDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(N(C)C)CCOCC1 1300438660 RATZJILPGYYUCX-UHFFFAOYSA-N 459.620 1.727 30 10 JDEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1300497019 XAQWUVYFWODVSR-YLJYHZDGSA-N 487.582 1.334 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2OCCN(C)C)CC1 1300681636 WERPEYSPOOPDIE-UHFFFAOYSA-N 453.591 1.160 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](C)N2CCOCC2)CC1 1300730561 ALMNMLKUAJQIDE-HXUWFJFHSA-N 496.612 1.552 30 10 JDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1300776538 LTVQOLBZOPHLKO-QGZVFWFLSA-N 456.572 1.788 30 10 JDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1300981331 XZBYEGAPLMGVQM-UHFFFAOYSA-N 479.585 1.390 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1301521087 ZKNHCQPRFHJFHC-PXNSSMCTSA-N 475.594 1.031 30 10 JDEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N(C)C)CC1 1301611152 HLULGQLKSBBQJZ-HXUWFJFHSA-N 472.615 1.920 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1301663844 JHZRPFMWEJZPMT-VLZBMTSBSA-N 478.557 1.095 30 10 JDEE C#CCN1CCC[C@H](NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1313293236 XLFTVDTWZCMCOB-MANSERQUSA-N 461.563 1.308 30 10 JDEE CCCNC(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)c1 1313455499 FCWOMKNEHNDRMX-QFBILLFUSA-N 458.588 1.964 30 10 JDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)NC)CC1 1358910557 UEFSKFAXKQZNLK-UHFFFAOYSA-N 458.592 1.503 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1358957957 DOTKIERBQLBXQD-MRXNPFEDSA-N 458.525 1.985 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1(NC(=O)OC(C)(C)C)COC1)[C@@H]1CCS(=O)(=O)C1 1358964339 XOXXUFALIQBQES-QGZVFWFLSA-N 495.646 1.787 30 10 JDEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359062128 WZJWTBHSDJMXIZ-INIZCTEOSA-N 491.042 1.737 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)NCC)c1 1359113125 AIIAPMYSLGTDMM-FQEVSTJZSA-N 490.630 1.811 30 10 JDEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1359196026 WCGBPPIDKJRZLJ-UXHICEINSA-N 452.559 1.712 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1359287597 NPNCNUVTHYISEU-SFHVURJKSA-N 498.650 1.880 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1359297664 XUUPXPKLBIAODQ-UHFFFAOYSA-N 464.567 1.637 30 10 JDEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NCc3ccc(C#N)cn3)CC2=O)cc1 1460668675 IEXDEOCOINXMRK-QGZVFWFLSA-N 455.540 1.653 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)NCCC)c1 1507551386 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C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](SC)C1 1540897515 KZMUPOGCPZZMPD-LSDHHAIUSA-N 465.667 1.211 30 10 JDEE C#CCN1CCCN(C(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 1544078138 CMQMZJJGYPONPZ-UHFFFAOYSA-N 455.584 1.324 30 10 JDEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1547222135 DWXQOAFJDZVHAJ-HXUWFJFHSA-N 465.558 1.418 30 10 JDEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1S(=O)(=O)c1c(C)noc1C 1548369204 LHQFDLGWJPWAIQ-INIZCTEOSA-N 471.461 1.807 30 10 JDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(=O)N2CCOCC2)CCO1 1555992848 CPSPDZNQRYEQPU-AWEZNQCLSA-N 451.314 1.839 30 10 JDEE C=CCN1CC[C@H](N(C)S(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)C1=O 1561513854 VDJNFSSBZJDFQN-MOPGFXCFSA-N 451.545 1.073 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCC(C)(C)C)CC1 1587765414 GIMWEQJLYNKAMY-FQEVSTJZSA-N 480.679 1.973 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1588029045 CTKTXACDNDZSHU-KRWDZBQOSA-N 478.644 1.945 30 10 JDEE 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1.639 30 10 JDEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]2OCC[C@H]21 2282059354 HZFIDTDQABYDHP-IMJJTQAJSA-N 462.356 1.606 30 10 JDEE C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282328187 UFMYTRYNTSIXMA-CABCVRRESA-N 484.428 1.786 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC2(C3CN(C(=O)OC(C)(C)C)C3)CC2)n1 2282497329 OIPNJNHQJITALV-UHFFFAOYSA-N 482.412 1.397 30 10 JDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(C(N)=O)CN(C(=O)OC(C)(C)C)C1 2282574686 RXADMAVFTZZAFB-UHFFFAOYSA-N 463.340 1.339 30 10 JDEE C[C@H](CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282577322 CUSOOEJVTMQKFW-PEBXRYMYSA-N 464.372 1.447 30 10 JDEE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282617586 KRTKFYOCJASERI-HUUCEWRRSA-N 463.388 1.880 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)n1 2282833749 JSQUDWSRJLMQRC-OAHLLOKOSA-N 488.391 1.203 30 10 JDEE CC[C@H]1[C@@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1C(=O)OC(C)(C)C 2282833902 MLAONZCFSHUEIA-KBPBESRZSA-N 485.416 1.181 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC1CCN(Cc2ccccc2)CC1 2282864445 GEANSYPOFKTFAX-UHFFFAOYSA-N 474.436 1.910 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)s3)O[C@H]2C1 2284061772 GUXVJWLGAOLOME-IHRRRGAJSA-N 481.380 1.784 30 10 JDEE COc1cc(NS(=O)(=O)c2ccc(NN=C(CCCCC(=O)O)C(N)=O)cc2)nc(OC)n1 2295033444 PCMVMKOUNZQZFS-UHFFFAOYSA-N 480.503 1.193 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1C[C@@]2(NC(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2337338628 MCUKWFHBEDJZON-RXSFTSLZSA-N 465.381 1.997 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2359281143 SRIMWOVWVRTWOT-RBUKOAKNSA-N 451.380 1.993 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)N3CCCN(S(=O)(=O)c4c(C)noc4C)CC3)cc2C1=O 10094993 FNTBAGWXZMSVNU-UHFFFAOYSA-N 472.523 1.610 30 10 JDEE Nn1c(N/N=C/c2cc([N+](=O)[O-])ccc2O)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 20527416 XDNIALRIPNORDS-UFWORHAWSA-N 473.431 1.691 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)CC1 492436764 QEEISPOUVXQECQ-VWLOTQADSA-N 450.583 1.970 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1-c1ccccc1C#N 515665076 DWQMBPIJHQTGSH-UHFFFAOYSA-N 469.526 1.534 30 10 JDEE C[C@@H]1C[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)C1CC1)C(=O)CO 607714769 WFWMIFCEHAZDEQ-IBKSBQMNSA-N 476.541 1.827 30 10 JDEE O=C(O)C#CCNC(=O)Cn1cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)nn1 757471250 PUONTAAFCHSVFO-UHFFFAOYSA-N 459.462 1.521 30 10 JDEE COc1cc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)cc(OC)c1 1084036623 JPDNHVGHNPREEO-UHFFFAOYSA-N 474.547 1.804 30 10 JDEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)c(OC)c1 1084262595 IXSGRRVBKCRFCD-UHFFFAOYSA-N 459.536 1.963 30 10 JDEE C#C[C@@]1(O[C@@H]2O[C@H](O)[C@@H](O)[C@H](O)[C@@H]2O)CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@H]4[C@H]3C(=C)C[C@]21CC 1085211905 GXASPCBPKBXVDN-RALVPYQMSA-N 472.578 1.830 30 10 JDEE C=CCn1c(S)nc2cc(C(=O)N(CCCOC)[C@H]3CCS(=O)(=O)C3)ccc2c1=O 1160493196 DCESRKCAMKFCTQ-HNNXBMFYSA-N 451.570 1.537 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1286395138 ZBOJWDAECOIMKK-XMSQKQJNSA-N 465.620 1.214 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCC(=O)N(CC)CC)CC1 1286490745 QZKBLCJXLYRVAV-UHFFFAOYSA-N 452.563 1.350 30 10 JDEE C#CCSCCn1c(-c2ccccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1286504004 LPALYAHSXJDPNF-WIYYLYMNSA-N 453.616 1.695 30 10 JDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C(=O)OC)C1 1286507020 ULAULHNYIRZLFB-GOSISDBHSA-N 455.588 1.818 30 10 JDEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1 1286631109 ZAXWMFCGDXJVQQ-HUUCEWRRSA-N 468.942 1.980 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C)c(C)s1 1286758318 JXIJLUNLKVZQST-MRXNPFEDSA-N 452.606 1.911 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1286801520 CWXCWCWVUGKEJB-ICSRJNTNSA-N 456.572 1.880 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC(F)(F)F 1288858514 GENJMPNDOHKYCA-GFCCVEGCSA-N 475.472 1.788 30 10 JDEE CCO[C@@]1(c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2C[C@](C)(O)C(C)C)CCOC1 1296649192 FNDLVROZHJUIFP-ZEQRLZLVSA-N 469.590 1.930 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OC)nc1OC)[C@@H]1CCS(=O)(=O)C1 1300487087 FWRVMWYIWXWQHF-MRXNPFEDSA-N 456.528 1.360 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1OC 1300528177 RTUMWOKNHCLKNL-NQIIRXRSSA-N 460.538 1.799 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1300581758 YMMGBEQEPSVMFQ-IBGZPJMESA-N 452.559 1.890 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(c2ccccc2F)C1 1300631227 NWPIMJWDPTYZOX-GHTZIAJQSA-N 490.605 1.736 30 10 JDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCC(O)CC1 1300631878 XOVVNRWFDSFXFR-HXUWFJFHSA-N 476.622 1.893 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCN2CCC)CC1 1300715683 BQNCWBKFSJIWAR-OFVILXPXSA-N 472.634 1.770 30 10 JDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1300997161 QJPSXEHRDCZIDJ-KRWDZBQOSA-N 459.576 1.699 30 10 JDEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1301045790 XUZHYMHZUZXVNS-QGZVFWFLSA-N 498.028 1.597 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1301188535 KXDNFQRESWYBAC-HKUYNNGSSA-N 480.635 1.462 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCOC1 1301422483 MKPGXQUCYQPUTJ-QHCPKHFHSA-N 454.531 1.465 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1301498258 MGXDRWHFCCWYQU-HXUWFJFHSA-N 462.558 1.115 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCS(C)(=O)=O 1301531244 GTXVRVXLOJVKMK-KRWDZBQOSA-N 468.601 1.274 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2cncn2)CC1 1301575088 BINCZJTYYOHPGR-UHFFFAOYSA-N 466.571 1.926 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1301586811 JSVGJRUQKWIFGE-UHFFFAOYSA-N 485.614 1.792 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3ncccc3C(N)=O)CC2)cc1 1310131464 MOIMXPGYQIZBQY-UHFFFAOYSA-N 458.544 1.341 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CN(C)CCC)C1 1358929878 KJDTXFCFMOEASX-RBUKOAKNSA-N 452.625 1.193 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358956969 NHDPZSQYADZFAX-ZJSXRUAMSA-N 493.674 1.821 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1358959644 NACOQDJCGMKJFM-IRFCIJBXSA-N 458.584 1.932 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCCC[C@H]1C 1358979392 KYXCLIBYSKIKAG-NHCUHLMSSA-N 476.647 1.338 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1359073621 YGVBDKAFKQJHNN-HOYKHHGWSA-N 452.534 1.876 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H](C)C(=O)NC 1359095035 JHKFIJWNRZMQCB-POAQFYNOSA-N 465.562 1.720 30 10 JDEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1359267391 FHQSTGXVJXTKGL-HXUWFJFHSA-N 466.585 1.077 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCS(=O)(=O)C1 1359277183 DWPOAHNHGUGZAT-MSOLQXFVSA-N 482.628 1.833 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCSC1 1359277502 NTAYYNYMBPQUTJ-OXQOHEQNSA-N 452.602 1.876 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359287509 HNDNFKRZDZVRDO-RBUKOAKNSA-N 489.621 1.515 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1359291875 DBPONYOJCOEHBR-RDJZCZTQSA-N 465.551 1.873 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(c2cnn(C)c2)CC1 1359294047 IUJWLCFNLOAQGD-UHFFFAOYSA-N 483.598 1.768 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1ccon1 1359294078 JOONWFWVYDXJQW-UHFFFAOYSA-N 459.532 1.122 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1359294533 WTEIBPKWLSBCLF-LJQANCHMSA-N 498.613 1.701 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1359304388 WZKLXVDSHFMLIP-IBGZPJMESA-N 457.579 1.464 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@]2(CCc3ccccc32)C1 1359326670 HPXKYXZJVYZYEI-QHCPKHFHSA-N 473.599 1.695 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1507630183 UMHGFRQQJLUPHO-ROUUACIJSA-N 462.547 1.907 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507631820 GNLZEPQKBUYSNC-HBMCJLEFSA-N 463.648 1.921 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(C(C)(C)O)cc1)[C@H]1CCS(=O)(=O)C1 1507632146 XQCQPFFSLIFQAW-IBGZPJMESA-N 466.567 1.638 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1507641079 YVRBDQZNTCISBM-HXUWFJFHSA-N 453.572 1.518 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CC1(N2CCOCC2)CC(OCC)C1 1507671040 BXHAFNWKLPVSRB-UHFFFAOYSA-N 462.598 1.997 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2OCCC2(C)C)CC1 1507733624 GJENTZDCHVMCJP-SFHVURJKSA-N 465.558 1.706 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCNC(=O)c2cccc(C)c2)CC1 1507736526 MCIWUFWXICYYFN-UHFFFAOYSA-N 459.554 1.977 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCS(=O)(=O)CC)CC1 1507742542 LLMKCMYXPNZCML-UHFFFAOYSA-N 457.600 1.578 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1507967014 FSUJSGYCNBEZFH-QZTJIDSGSA-N 453.609 1.466 30 10 JDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1507967347 JOIOJGMNRQYSNQ-FQEVSTJZSA-N 474.606 1.315 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCOC1 1507997263 QDJCLHDNJCKRFC-IIBYNOLFSA-N 460.560 1.104 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C)C(=O)C1 1508136655 UKOHNBJFNDCLIR-UHFFFAOYSA-N 455.487 1.426 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1508142843 BQHYAZZNIJBPAC-UHFFFAOYSA-N 478.582 1.458 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C1 1508186573 DMJXOYACDSXTPO-MRXNPFEDSA-N 463.464 1.800 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1538964334 IZDOQGAPODMDBK-ROUUACIJSA-N 452.563 1.326 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCN(C(C)=O)C2)c1 1539040429 SQNJIBCKTSEHPO-FQEVSTJZSA-N 474.569 1.993 30 10 JDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1539065324 FJYJESCGUMBBKV-FQEVSTJZSA-N 468.533 1.899 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCN1CCCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539222891 XZDWCCNOUQKPLB-HKBOAZHASA-N 479.647 1.647 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1539229226 ARSYWCDGBSQRBC-KRWDZBQOSA-N 477.974 1.439 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(CC)(CC)OC)[C@H]1CCS(=O)(=O)C1 1539230331 LWRWJGBDWLXUSU-IBGZPJMESA-N 462.620 1.972 30 10 JDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)N(C)CC 1539331659 VHIYCWMNYSIRLL-UHFFFAOYSA-N 461.614 1.584 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3[nH]c(C)cc3c2)CC1 1539430610 KFVILYBHFVILBV-KRWDZBQOSA-N 455.588 1.482 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCS(=O)(=O)CC)CC1 1539468610 GIDWPFUBPAJRSV-QGZVFWFLSA-N 491.589 1.958 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCOc2ccc(Cl)cn2)CC1 1539482882 XTVBDBWMILPNNK-QGZVFWFLSA-N 458.950 1.875 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1539517702 RASJKHOKVYBOEK-SFHVURJKSA-N 491.614 1.648 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1539729753 RZMZLEZEYCMUNI-UHFFFAOYSA-N 482.628 1.955 30 10 JDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1539743077 UOTHPSGLUPRVFO-UHFFFAOYSA-N 474.591 1.419 30 10 JDEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1539982189 LXPKCFXMWYKRQB-QGZVFWFLSA-N 498.563 1.990 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(S(C)(=O)=O)CC1 1540865922 WPWSVMVKHONHCS-UHFFFAOYSA-N 489.421 1.153 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCCCC2)CC1 1540897803 SNGCHIKYXWWNCX-UHFFFAOYSA-N 452.625 1.472 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1540899809 AWRPSTYFOPGDIA-KRWDZBQOSA-N 475.571 1.374 30 10 JDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(Oc3ccc(OC)cc3)cc2)CC1 1561296461 MMCIXMGILWPRHA-UHFFFAOYSA-N 457.552 1.933 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1587555103 CQMRJJGHTLZPHB-SJORKVTESA-N 460.546 1.884 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCC1 1587638033 AVMIVLUXAIFJQS-ROUUACIJSA-N 451.662 2.000 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC2(CCOCC2)C1 1587765422 GMZJLQUZNCPGAG-GOSISDBHSA-N 483.660 1.517 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1588028843 AEAISMAPFPEYKA-SJLPKXTDSA-N 487.561 1.844 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1CCNS(=O)(=O)c1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 1588029137 DNNVFQUOKNCGGV-WBVHZDCISA-N 499.684 1.767 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1nc(C(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1588055238 UJBYJJPIHGRCIP-HUUCEWRRSA-N 462.601 1.484 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCCN1CCCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588059541 PZUGAGSLLHBELA-UXHICEINSA-N 451.637 1.604 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1588069563 QPBXSINVYMNYJI-IBGZPJMESA-N 473.599 1.707 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCC[C@@H]1NC(=O)NC1=O 1588093719 NVLZSTNQOMWKRE-AWEZNQCLSA-N 458.320 1.107 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1588473649 QMOZYGDGCVGHJH-HXUWFJFHSA-N 482.560 1.788 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C(F)F)c2)CC1 1588743133 XYEWBLVGWDKCTO-HNNXBMFYSA-N 452.531 1.629 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC(=O)N2CCOCC2)CC1 1588864869 KZYFCBYASHTVAB-UHFFFAOYSA-N 466.586 1.478 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccccn2)CC1 1588891546 QRJOKTIUROOXJD-DEOSSOPVSA-N 452.559 1.534 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1589530613 XJYOTMJASVFGOD-YLJYHZDGSA-N 477.635 1.910 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccco1)N1CCCC1 1594963647 WBYLXFLLULCDRR-MJGOQNOKSA-N 464.592 1.663 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCNC(=O)C(C)C 1595490678 WXCWOWWOFUULIZ-UHFFFAOYSA-N 452.357 1.546 30 10 JDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1 1617572615 GAKKKMLXUIDDNT-SFTDATJTSA-N 462.558 1.488 30 10 JDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1618526203 BSYAWTPRABIHNW-UHFFFAOYSA-N 453.547 1.593 30 10 JDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F 1637840572 HYURMZMGKGUWJQ-UHFFFAOYSA-N 451.524 1.670 30 10 JDEE C#CCN1CCC(NC(=O)NCCCNC(=O)c2cc(OC)ccc2Br)CC1 1680115359 LPGWLFODNIASJP-UHFFFAOYSA-N 451.365 1.974 30 10 JDEE C#CCN1CCC[C@H](NC(=O)NCCc2ccc(OCCN3CCN(C(C)=O)CC3)cc2)C1 1683825018 HIHHMFVFZPWVBQ-QHCPKHFHSA-N 455.603 1.169 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCS(=O)(=O)C1 1689846768 NIACNORFABCPCN-GJZGRUSLSA-N 450.590 1.131 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCCCC2)c1 1689871665 BFWJNPXSLADLIW-FQEVSTJZSA-N 484.626 1.722 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccccc1CN1CC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1689979452 BMLKLIFIXSWJRF-FCHUYYIVSA-N 485.654 1.817 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCCC2)nc1 1690019318 FTGZCPRDNKYUPW-FQEVSTJZSA-N 452.584 1.687 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCC(F)F 1690020012 WVPLHVJLKODKGP-INIZCTEOSA-N 453.490 1.941 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1690046971 JCQAYYTXFQTNOA-ACRUOGEOSA-N 453.566 1.981 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1CCN1CCCS1(=O)=O 1690055520 XNFWBXUFMQMIDG-UHFFFAOYSA-N 457.556 1.364 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(Br)n2)CC1 1690112423 XQWFHCLAGUMBNL-MRXNPFEDSA-N 463.380 1.963 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1690115258 YRULBVYSWLTDML-NRFANRHFSA-N 451.619 1.735 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2nc(CC)ns2)CC1 1690274782 DCFHWBFWCCILLC-AWEZNQCLSA-N 454.626 1.595 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1690288368 VDFHRUGKTRYPGH-SFHVURJKSA-N 462.532 1.658 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCNS(=O)(=O)CC)CC1 1690411076 DOVWOLAIBXWDHI-SFHVURJKSA-N 498.650 1.928 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CN2CCCC2)cc1 1690528220 YGJBWDIJKFNKAB-NRFANRHFSA-N 474.631 1.877 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1690662808 DWCMRSZNPBAVKU-HKARXFIJSA-N 489.598 1.424 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3nc(C)cs3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690678141 MEDCIHKLILYSGR-VGOFRKELSA-N 476.603 1.964 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1690714867 WZBNQOLSEPEBIQ-UONOGXRCSA-N 488.492 1.682 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690723918 DFWQYCWPOASFMG-CRAIPNDOSA-N 482.584 1.015 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1690724217 KKLKLSHEXCETPE-RDJZCZTQSA-N 483.616 1.228 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOc2ccccc21 1691003175 DHBSTRPXKPQMKW-FUHIMQAGSA-N 474.587 1.773 30 10 JDEE CN1CC[C@](O)(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@@](F)(C#N)C2)C1 1696875830 HPANNYSOAAREIN-JJEOQYAHSA-N 477.585 1.901 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(OCCOC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705566609 OQMFPPWKOMKNNG-WOJBJXKFSA-N 496.630 1.011 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1705576582 NGYRSBBGBCVZBU-PMACEKPBSA-N 473.585 1.881 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCn1ccnc1C 1705626856 LJAPKUAHIPVSGK-UHFFFAOYSA-N 460.542 1.966 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCN2CCCC2)CC1 1705634191 MRVRFRMJMYXVFX-UHFFFAOYSA-N 485.658 1.437 30 10 JDEE C#CCSCCn1c(N2CCN(CCOC)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705665320 QJJDPJYEEKUMFN-HDICACEKSA-N 492.646 1.710 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1705883479 JNUWFIUOMHJACI-QGZVFWFLSA-N 453.547 1.953 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(=O)COC)CC1 1705890845 LXWMVMDYGAWEBX-QGZVFWFLSA-N 464.567 1.504 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1705894430 YXYOYQYREWRLLL-NRFANRHFSA-N 465.602 1.917 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705906991 WUJKYBBOILPRGO-OAQYLSRUSA-N 482.585 1.604 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCCN(CC(F)(F)F)CC1 1705939163 SRQGLLVPGVYFLC-OAHLLOKOSA-N 451.515 1.805 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Cl)c(OCC)c(OC)c1 1722350467 ASLCKFIYAMGHAX-SFHVURJKSA-N 498.005 1.789 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CCNS(=O)(=O)c1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1722364538 LJQSOXDRPKQFEE-MRXNPFEDSA-N 485.657 1.377 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722365007 JVWWCLAZDNQYEF-PZJWPPBQSA-N 456.616 1.623 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(-n2cccn2)cc1 1722382643 BFNSAZIVBRKCOI-QFIPXVFZSA-N 493.593 1.112 30 10 JDEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCNS(C)(=O)=O 1722385850 MOSVUFWCUQVKMS-UHFFFAOYSA-N 456.355 1.786 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCOC1 1722396073 FQLCHWFIYBSARR-MBSDFSHPSA-N 459.547 1.201 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(O)(CCC)CCC)CC1 1722441496 RSKWEJLYWCKPPP-UHFFFAOYSA-N 458.607 1.811 30 10 JDEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1722465528 MUFVSOFXZXCCRU-SFHVURJKSA-N 462.572 1.989 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1722465804 DZQSEDPZQXACBS-GAJHUEQPSA-N 451.579 1.909 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OC)c1OC 1722473672 HBGQMGLCHMWSLN-AUSIDOKSSA-N 489.598 1.669 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722656791 IYLVHPPYPGVJIK-WOJBJXKFSA-N 483.598 1.575 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC(=O)N1CCOCC1 1722693803 ASYXQYUSUIUGCY-UHFFFAOYSA-N 454.575 1.840 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722724957 BCSZKAMTEQPMRP-OAQYLSRUSA-N 486.642 1.597 30 10 JDEE Cc1nnsc1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1724133174 FYNDMNJRYAWQGN-LJQANCHMSA-N 476.563 1.846 30 10 JDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Cn2cncn2)CC1 1728204347 FOIRWLABMFXQSM-UHFFFAOYSA-N 463.546 1.763 30 10 JDEE CCNC(=O)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1728655895 IBUKBTAUHDHWFA-DYESRHJHSA-N 493.634 1.047 30 10 JDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)CC1 1729733455 GVNVHQUSDWUJLL-JGCGQSQUSA-N 457.560 1.101 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1740592325 VTDOUCHDGQFLAS-HBMCJLEFSA-N 490.674 1.411 30 10 JDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNS(C)(=O)=O 1740608117 LPCMFMJEWJQBPY-INIZCTEOSA-N 454.597 1.401 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740627183 YZXLWQJTMWVIQU-IBGZPJMESA-N 488.614 1.805 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740684826 CJTNETUVDBHTFO-QRVBRYPASA-N 451.593 1.072 30 10 JDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccccc1N1CCOCC1 1740687810 HGIJGUCUSIUVGJ-UHFFFAOYSA-N 452.559 1.371 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(F)c2)n1 1740688182 BGFLYNHMFCZWRH-IBGZPJMESA-N 486.573 1.850 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2ncn(C)n2)CC1 1740708515 RYOBTGZSFSXBSA-UHFFFAOYSA-N 462.558 1.617 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1740708844 CVARMOCISXXGHZ-GFCCVEGCSA-N 489.549 1.626 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1740717621 XHHPKTBACXJCLC-QUCCMNQESA-N 496.703 1.288 30 10 JDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1740719281 JANKCJSNQKTKOA-UHFFFAOYSA-N 480.598 1.687 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCCOC2)C1 1740791939 CFZFIEMYYPGPAW-NQIIRXRSSA-N 469.608 1.211 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1740887036 ADCGQVGZFLFOJO-LJQANCHMSA-N 478.619 1.700 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CC)C1CC1 1740910154 KQEYEZMUPQNPKR-RBUKOAKNSA-N 452.625 1.640 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1740952016 RXMDGYAUENOMJA-HZPDHXFCSA-N 486.602 1.451 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCCN(Cc2noc(C)n2)CC1 1740956178 LZQWQKHKMOACRJ-UHFFFAOYSA-N 454.510 1.790 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccccc1 1740987768 YTGPVZUAHSMSAN-FUHWJXTLSA-N 467.617 1.831 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1740988343 BFDKOVBUIKRFRQ-GOSISDBHSA-N 486.598 1.740 30 10 JDEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1748761445 YLTXADFAUXIBJZ-UHFFFAOYSA-N 468.533 1.681 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1748806127 ZPFSKBQPGIUXGB-UEXGIBASSA-N 468.645 1.699 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCOCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1748808032 GPWFZTWTYIOHHN-MRXNPFEDSA-N 499.435 1.241 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN(C)CCOC)[C@H]1CCS(=O)(=O)C1 1748824543 QCHBSELEQDGZJA-XUVXKRRUSA-N 481.663 1.402 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1748991092 PXBGBKAIESMBAM-LAUBAEHRSA-N 462.476 1.435 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1749008552 CHOHXPPXUGXLPQ-UHFFFAOYSA-N 456.572 1.131 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C(=O)NC 1749033009 XPRAUPVDQSKQKT-HNNXBMFYSA-N 453.572 1.377 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749457731 PFYKNRMIBBLZNO-IBGZPJMESA-N 471.587 1.366 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1749597801 NBTIGTQHNZHKBC-BXKMTCNYSA-N 468.558 1.854 30 10 JDEE C=CCn1c(N2CCN(CC(=O)N3CCCC3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749646397 QINHFFRVYJITSJ-KDURUIRLSA-N 473.622 1.979 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1749664576 SDDMLVWVGPNHRY-IBGZPJMESA-N 488.614 1.187 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC[S@@](=O)CC)C1 1749707397 WAXDEJKTVUDCIL-FTDQSSOUSA-N 456.572 1.742 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749721505 MILPAQBOHYRRDX-SFHVURJKSA-N 495.627 1.371 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)[C@@H](C)C1 1749733751 BIRPOSQECMYEPH-RXVVDRJESA-N 491.614 1.548 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCc2sccc2C1 1749734225 GMUNWNKYSBNACI-INIZCTEOSA-N 470.642 1.795 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1749797616 CUAXKVXJGBMDSY-WXVFVKJXSA-N 455.563 1.767 30 10 JDEE CC(C)NC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 1750993678 GLAZJAHYJJEXAC-LJQANCHMSA-N 485.614 1.293 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCc2n[nH]c(C)n2)c1 1760128049 WDSSZEGTFFXBAD-UHFFFAOYSA-N 472.557 1.865 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCC(O)CC1 1760175736 QCVLBHKXKAVYDJ-IBGZPJMESA-N 462.595 1.503 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1760187423 DECHDHDVCNDSIB-OAQYLSRUSA-N 473.647 1.817 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)CN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1760188987 FAARXBQUQJRGHX-GGAORHGYSA-N 499.685 1.164 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(S(=O)(=O)NC)c1 1760208199 MPKPKEFELKVULM-ICSRJNTNSA-N 457.556 1.031 30 10 JDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CCCC1 1760248242 FVSBWWWDJRXWMG-UHFFFAOYSA-N 463.560 1.449 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)CC1 1760252941 YJOMLWIUKCZUAA-FPOVZHCZSA-N 499.639 1.298 30 10 JDEE C=C(Br)Cn1c(N2CC[C@@H](S(=O)(=O)NCC)C2)nnc1[C@]1(OCC)CCOC1 1760313706 DRRKZRBLQXWZDO-PBHICJAKSA-N 478.413 1.357 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1760515282 CESHGMTUQGMYNU-CQSZACIVSA-N 467.621 1.370 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1765635159 GGIXUJPIGDHZCB-KOSHJBKYSA-N 451.575 1.626 30 10 JDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1766382602 CCRQWHDVJKMXMJ-UHFFFAOYSA-N 479.520 1.463 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)Cc2ccccc2C1 1771112133 GXHSISNSCQQLGQ-NRFANRHFSA-N 486.642 1.646 30 10 JDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCN(CC)CC)cn1CCN1CCOCC1 1870534987 ASRDSNFLHYPFDU-UHFFFAOYSA-N 489.661 1.191 30 10 JDEE O=C(O)c1ccc(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Br)cc1 1873527045 IVXGUJVKVATVSV-KXKLRXOYSA-N 455.290 1.510 30 10 JDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(C(C)(C)C)n4ncnc4n3)CC2)CC1 1889459279 WJMZYNXQMQGYTC-UHFFFAOYSA-N 453.591 1.294 30 10 JDEE COc1ccc(N=C(N2CCN(C)CC2)P(=O)(N2CCN(C)CC2)N2CCN(C)CC2)cc1 2059862435 LFDFVAZYHHJCFE-UHFFFAOYSA-N 477.594 1.618 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255536726 MJTMUAUBNPULTA-OCCSQVGLSA-N 453.370 1.712 30 10 JDEE Cc1nc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267162550 QDDZPOFTWMKZRD-UONOGXRCSA-N 467.397 1.851 30 10 JDEE Cc1nc(S(=O)(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2267467888 RBZXKVLQXHVDAM-AWEZNQCLSA-N 470.401 1.315 30 10 JDEE Cn1cc(C(=O)NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)c(B2OC(C)(C)C(C)(C)O2)n1 2267522448 VBPHMKNSJHIUIZ-GOSISDBHSA-N 484.362 1.487 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(CCO)CCNC(=O)OC(C)(C)C 2267605508 NZQWKEMGEQHCNJ-UHFFFAOYSA-N 451.373 1.766 30 10 JDEE C[C@@H]1[C@@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1Cc1ccccc1 2267704654 RLHRGJMMTJUSHZ-WBVHZDCISA-N 461.397 1.056 30 10 JDEE CN(CC1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267709085 VSPVTLWGWQYPFU-UHFFFAOYSA-N 470.401 1.207 30 10 JDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1C[C@H]1NC(=O)OC(C)(C)C 2267728686 YONMPGFTIANPJO-HUUCEWRRSA-N 468.381 1.938 30 10 JDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2281976497 CIHNCLOEUYYZEH-GOEBONIOSA-N 464.372 1.474 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2281977545 QYLIUQIAIDIKGZ-TZMCWYRMSA-N 464.328 1.291 30 10 JDEE Cn1cc(C(=O)N=[S@](C)(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282034867 NSOBHQNLWLVRTI-RPLXOIEJSA-N 482.412 1.967 30 10 JDEE CCn1cc(C(=O)N[C@H]2COC[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282064443 ZYNRAMNOQUOWFS-HOCLYGCPSA-N 464.372 1.472 30 10 JDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2282531883 PDYWBRCJMVUDFI-JOCHJYFZSA-N 466.340 1.307 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@@H]1C 2282589305 LUVHOPQGPHPPAV-STQMWFEESA-N 458.290 1.874 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@]12CO[C@@H](C1)[C@@H](NC(=O)OC(C)(C)C)C2 2282690451 WMFAGYBBXPYJKL-WSZRMNBISA-N 461.368 1.879 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2282859789 QQHBESYUTPURPV-ROUUACIJSA-N 473.408 1.009 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC(C2(NC(=O)OC(C)(C)C)CC2)C1 2282862113 YTEZZGPASJZDCE-UHFFFAOYSA-N 482.412 1.397 30 10 JDEE CC(C)(C)OC(=O)N1CCO[C@H](CCNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283068979 PIYQBLOHHCRKOO-OAHLLOKOSA-N 462.356 1.532 30 10 JDEE COC(=O)[C@H](CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1)NC(=O)OC(C)(C)C 2284011713 PGJBCHQDTZWHAX-AWEZNQCLSA-N 464.328 1.479 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H]2CC[C@H]1[C@@H]2NC(=O)OC(C)(C)C 2359283212 SCOFJEMPJNUVLN-CWRNSKLLSA-N 482.412 1.396 30 10 JDEE Cc1c(NC(=S)N/N=C2\C(=O)N(CC(=O)O)c3ccccc32)c(=O)n(-c2ccccc2)n1C 103916449 HTGJVVAEMTWDHI-CLCOLTQESA-N 464.507 1.606 30 10 JDEE Nc1nnnn1N=Cc1cc(I)cc(I)c1O 252642756 ZPMUNXWASIAWLZ-UHFFFAOYSA-N 455.985 1.052 30 10 JDEE COc1ccc(C=NN=CCn2c(N3CCCCC3)nc3c2c(O)nc(=O)n3C)c(OC)c1 254736439 BBFSQLXKTQTUJL-UHFFFAOYSA-N 453.503 1.948 30 10 JDEE Cc1ccnc(NS(=O)(=O)c2ccc(NC3=CC(=O)C(=NNC(=N)N)c4ccccc43)cc2)n1 254834436 INJGAFYTGQKNKA-UHFFFAOYSA-N 476.522 1.809 30 10 JDEE O=[N+]([O-])c1cccc(-n2cccc2C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1 254902516 RGPZYDLBODNWMW-UHFFFAOYSA-N 479.501 1.690 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](CCSC)NC(=O)c2ccc3ccccc3n2)CC1 501662723 GWNUJYPPMJEDOS-OAQYLSRUSA-N 469.611 1.533 30 10 JDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccn2)c1 728581032 FQYCEMVJEIGEDQ-OAHLLOKOSA-N 463.537 1.154 30 10 JDEE N#Cc1cc(Br)cc(COC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 1128566259 HXNNZFGKHOKMHO-CQSZACIVSA-N 454.302 1.529 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1286311267 GDDHGVWSTHSLTE-ZGKFLROHSA-N 489.536 1.712 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(C(F)(F)F)c1 1286377488 XZIWIBBQWZXVEO-CQSZACIVSA-N 458.466 1.143 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCN(CC)C2)CC1 1286494448 PBZDVVJHFAYCCS-SFHVURJKSA-N 455.632 1.941 30 10 JDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286512052 RDWBVJZFXFVWIR-IEBWSBKVSA-N 455.540 1.455 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1286608224 NRRUBALGOVJMPO-NRFANRHFSA-N 487.626 1.664 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COCCO1 1286744639 KFXHXLCCRKIACT-QUCCMNQESA-N 495.577 1.358 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1286748287 UUNMXCDZUPQEDY-OAQYLSRUSA-N 460.535 1.560 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN(C)C(C)C)CC1 1286820630 ONJLSCVHEISVAP-IBGZPJMESA-N 487.692 1.338 30 10 JDEE C#Cc1cccc(NC(=O)CNC(=O)CNS(=O)(=O)c2cccc(Br)c2)c1 1291814582 OPIFSCHBEDNYJU-UHFFFAOYSA-N 450.314 1.464 30 10 JDEE CCS(=O)(=O)NCCn1c(CN2CCCC2=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1297787200 HIHJEXZVOWVWTH-UHFFFAOYSA-N 483.598 1.505 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCNC(=O)c1cc[nH]n1 1300318296 ZLYHPQRXQPYHIP-HXUWFJFHSA-N 475.601 1.254 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 1300332523 IWPXTKHPUUTRFJ-SFHVURJKSA-N 496.597 1.016 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1300504963 WRBVCLWVARCRIQ-XMSQKQJNSA-N 495.001 1.943 30 10 JDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](C)N(CC)CC)CC1 1300696218 VOUMGTZOTAWOLL-LJQANCHMSA-N 472.663 1.724 30 10 JDEE C=C(Cl)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1301033392 HYSGBSLSNIVORH-KRWDZBQOSA-N 471.949 1.940 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1301223398 ULSBNHYBBONODW-PMACEKPBSA-N 493.634 1.296 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1301497381 UZBFJACRDKFCIP-UHFFFAOYSA-N 491.600 1.358 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2CCN2CCCS2(=O)=O)C1 1301565250 GMBWDCDOMFIAPB-HXUWFJFHSA-N 461.588 1.982 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@](C)(C(N)=O)C1 1301568732 JKWOEMMEHIFKSJ-VFNWGFHPSA-N 465.551 1.860 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1301595268 RCISPVLEEVQJQK-UONOGXRCSA-N 470.587 1.880 30 10 JDEE C#CCN(C(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C)[C@@H]1CCS(=O)(=O)C1 1310626415 ITATWXJAUOWZSD-MRXNPFEDSA-N 459.572 1.522 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(CC)ns2)CC1 1358913793 YMWSPAXCDVNQGC-MRXNPFEDSA-N 463.633 1.724 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1358965470 VUBMOAGYJMQUOW-FQEVSTJZSA-N 469.615 1.484 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1358992043 XOEMTMWHFURGBY-UHFFFAOYSA-N 459.554 1.910 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1359035313 QNLCGTAZWXBSKL-DFBJGRDBSA-N 488.633 1.688 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ncc(CC)s2)CC1 1359040053 GHVICZSBNANDMS-UHFFFAOYSA-N 469.615 1.742 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2COCCO2)CC1 1359042940 ZXTUTHJTSAGZHT-GOSISDBHSA-N 473.961 1.988 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1359045461 IDOOAXZZMHCAJL-UTKZUKDTSA-N 485.610 1.248 30 10 JDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1359056679 JSGXRHOXHPIWMP-LEWJYISDSA-N 462.664 1.380 30 10 JDEE C#CCSCCn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359061788 MEOMXOZUYMVTET-QFIPXVFZSA-N 475.594 1.941 30 10 JDEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1359124399 BDVGWHFMOAETRD-UHFFFAOYSA-N 470.574 1.423 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1359126429 PLKZKDWJCVAGRM-SFHVURJKSA-N 489.602 1.522 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1359329010 VIQKBQNNYPMPEP-LJQANCHMSA-N 471.543 1.631 30 10 JDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1359338383 UJAICLHAWHPYAG-MJGOQNOKSA-N 490.655 1.829 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1359343399 SDRTYGAILCALSL-ROUUACIJSA-N 466.633 1.510 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(OCc3cn4ccccc4n3)c2)CC1 1455114985 JQARRUJCXJXMCP-UHFFFAOYSA-N 453.524 1.139 30 10 JDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1501217769 GOJPTZBOBVFYRL-FQEVSTJZSA-N 481.557 1.083 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507558934 ZHVLIEYPZUVUAU-ZJOUEHCJSA-N 493.678 1.071 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1507624827 DZDPFTIIEWBXTN-WIYYLYMNSA-N 463.991 1.292 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1507640404 RRRFJRMXTYZPBD-HXUWFJFHSA-N 479.566 1.561 30 10 JDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1507876852 XKCSSMMVOZBKCH-UHFFFAOYSA-N 458.588 1.969 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1508077721 ZUYURBWHWKJAFX-MRXNPFEDSA-N 470.603 1.485 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCOCC3)cc2)C1 1508109799 ONZUKGNSNCSMTB-NQIIRXRSSA-N 490.630 1.555 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)[C@@H](F)C1 1508137045 XRZRQBAJTNTYFT-ZBFHGGJFSA-N 484.623 1.942 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](SC)C1 1508144788 GYXHUBYHKXNOPC-HOTGVXAUSA-N 462.663 1.503 30 10 JDEE CC(C)N1CCC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)CC1 1509547229 GIGWQZXXZHMXLJ-UHFFFAOYSA-N 475.619 1.037 30 10 JDEE COc1ccc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CC(=O)N(C)C)cc1OC 1518161843 BGFQUMOPWSFHDO-UHFFFAOYSA-N 476.541 1.644 30 10 JDEE CS(=O)(=O)CCCn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1519519942 AFNARGXNHRCUBM-UHFFFAOYSA-N 466.571 1.292 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCOc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1539203291 OYHATXPTJSSEHH-OAHLLOKOSA-N 481.525 1.400 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1COC)[C@H]1CCS(=O)(=O)C1 1539206376 OJDIIKRDWQWZSX-URXFXBBRSA-N 488.610 1.752 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539212604 WENXLOTXIGUCMJ-ROUUACIJSA-N 478.018 1.946 30 10 JDEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1539212849 YFZILGBWFKHLTO-LJQANCHMSA-N 466.567 1.646 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(C(N)=O)CCCC2)CC1 1539468626 GRDPQTGVYQRNAD-VWLOTQADSA-N 486.617 1.330 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(N(C)C)CCOCC2)CC1 1539470437 PKRMQBXYCCLLBO-UHFFFAOYSA-N 495.584 1.930 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1539483111 ZJDFPDRVPGQFFU-IRFCIJBXSA-N 472.634 1.636 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC[S@@](=O)C(C)(C)C)CC1 1539484361 MJUVCXOFYBUIMM-JGCGQSQUSA-N 456.616 1.777 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1539751912 XEPSUMPPFTUIRQ-ZWKOTPCHSA-N 454.593 1.547 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCN(C(C)=O)CC1 1540136427 HZMWXRAYCXWLJJ-NRFANRHFSA-N 469.565 1.725 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1540869084 BBZLYVQBBQVVDU-DLBZAZTESA-N 485.589 1.829 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccccc2)CC1 1540874751 QQXORAZCFNYQJV-UHFFFAOYSA-N 465.583 1.898 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1540892606 OURYUODSQMWLRO-GHTZIAJQSA-N 466.991 1.853 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H]1C 1540901989 XAFGWSHUVRPIRS-OAHLLOKOSA-N 452.606 1.828 30 10 JDEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1540911287 WDGZBUJWZATABN-CYBMUJFWSA-N 480.392 1.102 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCCC2)CCO1 1541082311 DIHNBXSSBKEBSN-OAQYLSRUSA-N 468.558 1.765 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccc(Cl)cn2)C1 1555984732 BABJCLVIRIVNSQ-ACJLOTCBSA-N 454.915 1.750 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC2(C)C)c1 1587683209 DXVLIONAZKNKQW-DOTOQJQBSA-N 458.588 1.991 30 10 JDEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1587847219 FXHDKACHHLYRNX-UHFFFAOYSA-N 477.569 1.944 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1588030649 ZETCQJOXGBUNBQ-RDJZCZTQSA-N 473.534 1.361 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588054067 KMYNJSRIONRPSI-KSZLIROESA-N 451.593 1.104 30 10 JDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCOC[C@@H]1C 1588245606 KVHFSDPGWNJFCU-VWLOTQADSA-N 489.668 1.826 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(F)F 1588386111 MUUVHYXDRUEXBU-KRWDZBQOSA-N 469.514 1.720 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1C 1588645845 DHJBLKHMPPAWFO-OAQYLSRUSA-N 475.615 1.557 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2c(s1)C[C@H](C)CC2 1588647295 UCYWAQZEFXMXJJ-HZPDHXFCSA-N 463.629 1.896 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2csc(COC)n2)CC1 1588763371 WQTYILKFXFQZQK-UHFFFAOYSA-N 486.623 1.755 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCC(C)(C)C)CC1 1593747457 WRTIJPDQUDDVPX-HXUWFJFHSA-N 498.694 1.762 30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(O)CCOCC2)CC1 1594035271 GKJLHNNQCMGKIE-UHFFFAOYSA-N 461.588 1.893 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(OC)c1OC 1594961616 DBKUVIYRUHYFHZ-KRWDZBQOSA-N 481.575 1.307 30 10 JDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCOC(C)C)CC1 1595405104 CIGCATDSUBRWPO-GOSISDBHSA-N 453.609 1.514 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1595516239 BZSJTDSHXDNAHS-UHFFFAOYSA-N 466.995 1.761 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCc2ccccc2)C1 1595550297 CCHMPPZFDZXPCV-MOPGFXCFSA-N 459.572 1.278 30 10 JDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](CNC(C)=O)C1 1595664298 APXKSOUOLCRJMZ-HXUWFJFHSA-N 468.558 1.355 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1595788663 FUZWHRNKXMOINL-IAGOWNOFSA-N 496.634 1.571 30 10 JDEE C#CCN(C(=O)CCNS(=O)(=O)c1cccnc1)C1CCN(C(=O)OC(C)(C)C)CC1 1596141658 DGBDDYSWXIMGJQ-UHFFFAOYSA-N 450.561 1.611 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2ccco2)CC1 1610129418 BOICUTDPPVXIBI-UHFFFAOYSA-N 490.568 1.486 30 10 JDEE CC[C@@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1613106778 AAMCXVWJWKEOTF-HOYKHHGWSA-N 453.591 1.824 30 10 JDEE CN(C)C(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1617606986 DASMOIFGWFHXSY-UHFFFAOYSA-N 487.568 1.598 30 10 JDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1618507786 HNJIGDCQPUDPHN-IBGZPJMESA-N 451.575 1.747 30 10 JDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(CNC(=O)c2ccccn2)CC1 1636647598 CHFQNHVBSJGSKG-INIZCTEOSA-N 455.540 1.289 30 10 JDEE C[C@H](C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)S(=O)(=O)C1CCOCC1 1644614219 BCXQEAJDVWNQJN-MRXNPFEDSA-N 457.556 1.579 30 10 JDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1689907949 QRFIFCCSYIVHKJ-UHFFFAOYSA-N 469.634 1.698 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](F)COC 1690103480 DNFWXHOAHLUIQR-DLBZAZTESA-N 455.531 1.657 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCN(CC)C(C)C)CC1 1690144325 UTTSSCYBLFZWAM-UHFFFAOYSA-N 469.590 1.702 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)Nc2ccc(F)cc2)CC1 1690153993 GNLXMZHCWDBDHP-AVRDEDQJSA-N 498.559 1.746 30 10 JDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690179017 KERDRKYQPDZFER-QFIPXVFZSA-N 453.572 1.445 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](C(F)F)N1CCOCC1 1690206352 OJXPVTSYKBPROD-CBGDNZLLSA-N 471.574 1.528 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCOCC1 1690571643 FDEJWHGYVCECSX-IBGZPJMESA-N 491.589 1.761 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1690644571 UCFMRPIPWYRDAS-YLJYHZDGSA-N 451.524 1.034 30 10 JDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1705534301 DXEAVYCGXFDYOF-LJQANCHMSA-N 489.621 1.258 30 10 JDEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1705568928 ASYXCCGQRQYJMK-SFHVURJKSA-N 466.567 1.279 30 10 JDEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCS(=O)(=O)NC)[C@H]1CCS(=O)(=O)C1 1705571935 LTSINPIBKWDHIZ-KRWDZBQOSA-N 497.668 1.055 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705578008 BXJDNSPEMYSUJE-QGZVFWFLSA-N 457.556 1.317 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](OC)[C@H](OC)C1 1705662337 WKFAVIDDUYPZHX-KURKYZTESA-N 481.619 1.803 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705695492 XMXOIRTVOHNKOP-HKUYNNGSSA-N 480.635 1.356 30 10 JDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1705721326 VKBVSNXJAYKFAN-OAHLLOKOSA-N 466.995 1.967 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1705905082 JHKRUSFTQATEEG-UHFFFAOYSA-N 472.553 1.773 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1705906178 VZNKOIFMWAKFDT-SFHVURJKSA-N 456.576 1.730 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)cc2)C1 1705925631 RWAJWUNBGRJSJP-VQTJNVASSA-N 477.587 1.449 30 10 JDEE CC(=O)N1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@](F)(C#N)C2)CC1 1706002708 DRWIRMSKJKODFQ-NRFANRHFSA-N 456.482 1.459 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCOCC2)CCCCC1 1712454199 ARCIWGABOGVTND-LJQANCHMSA-N 459.595 1.631 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(F)cc2)CC1 1722316627 KLDOJUYYGASLDM-NRFANRHFSA-N 490.605 1.880 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1722360586 VGQNQSWDGHNGAD-OAHLLOKOSA-N 477.497 1.350 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1722364419 ZNVJVNGWSZVTJX-WMZOPIPTSA-N 462.572 1.872 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1c(Cl)cccc1OC)[C@H]1CCS(=O)(=O)C1 1722367648 NLGAGPODHKDFET-WMLDXEAASA-N 477.974 1.566 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(Cl)cc1OC)[C@@H]1CCS(=O)(=O)C1 1722372090 OYEWOVNXBJRCDQ-GOSISDBHSA-N 492.001 1.738 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(O)CCOCC1 1722385380 GWFNBOVYOCOVCD-UHFFFAOYSA-N 462.598 1.257 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1722433112 LPONGPVXWXCFPS-YJBOKZPZSA-N 463.380 1.842 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2nccc(C(F)(F)F)n2)CC1 1722440620 KQHDEXWROQOIRV-UHFFFAOYSA-N 473.507 1.946 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC(F)(F)F)CC1 1722527940 CIOLJBAQIHICIE-HNNXBMFYSA-N 468.546 1.555 30 10 JDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CCO)Cc1ccc(Br)s1 1722682849 NNXHYALKOVMWMU-LLVKDONJSA-N 464.411 1.897 30 10 JDEE C=CCn1c(N2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1722689606 WLPYZKKFCQXKGF-FSNCLGKMSA-N 497.618 1.243 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722695947 WDIVFKSWHDTLSJ-UHFFFAOYSA-N 469.981 1.742 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1722705256 CLNWWIGLBZULBB-KRWDZBQOSA-N 491.531 1.675 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C#N)CC1 1723660440 FUYLOLPBDLBQTE-UHFFFAOYSA-N 460.560 1.784 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C)cc1OC)[C@@H]1CCS(=O)(=O)C1 1740615448 FBIKHAQHCDBECU-LJQANCHMSA-N 494.577 1.917 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740615853 MLTMVPNXBUQHNN-RBUKOAKNSA-N 485.614 1.284 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1740626357 ANGBOOKBPUIELN-UTKZUKDTSA-N 480.974 1.289 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1740626813 WIZHKWVEIRXUNP-ZWKOTPCHSA-N 463.654 1.739 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(CN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1740628784 UEUMYOCEORCPEJ-NHCUHLMSSA-N 457.600 1.866 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CC 1740677583 XIVNFUKJCAWBHN-UGKGYDQZSA-N 479.578 1.551 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(O)CC(OCC)C2)CC1 1740693190 UPWNLYHCMZLQGW-UHFFFAOYSA-N 477.407 1.731 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccccc2Cl)N(C)C)CC1 1740694604 OBTSVMICHCIHHU-VQTJNVASSA-N 455.994 1.941 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2nnc(C)s2)CC1 1740701176 XDTFNZCYWVMGFG-UHFFFAOYSA-N 479.570 1.294 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CCOC2)CC1 1740706858 GDWJOMUSUVSJPW-QHCPKHFHSA-N 459.497 1.264 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)Cc1ccc2c(c1)OCO2 1740782230 IGBRBLKLPNXOOF-FQEVSTJZSA-N 493.586 1.569 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(F)cc(OC)c2)CC1 1740826030 WUOPAFSPASFJON-LJQANCHMSA-N 465.551 1.963 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1NC(=O)CC1(C)C 1740914504 GEDZZKCSSNVUEX-VQIMIIECSA-N 485.614 1.867 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(OC)CCC2)C1 1740982795 XDUGDIOWMNVRHF-ZWKOTPCHSA-N 469.608 1.352 30 10 JDEE CC[C@@H]1CCCCN1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1744878157 CSBMOGPASMZDGB-UXHICEINSA-N 479.651 1.615 30 10 JDEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(N)=O)CC2)CC1 1746433351 BAGOTNXXURJYQS-SFHVURJKSA-N 450.591 1.544 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(C)no2)c1 1748692495 XSKULGCXIQBSLM-HNNXBMFYSA-N 471.543 1.289 30 10 JDEE C#CCN(c1nnc(CSc2ccccc2OC)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1748823771 BJRZXDZVWALSMQ-GOSISDBHSA-N 486.623 1.988 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1748979948 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C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1749655476 LVVLTXDSYMUCRK-WAIKUNEKSA-N 457.531 1.649 30 10 JDEE COCCN(CCC#N)c1nnc(-c2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1749828446 BXWUTQHAUTXNGJ-INIZCTEOSA-N 450.540 1.732 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1760147090 HBYTVJZGTHXXGJ-UHFFFAOYSA-N 498.653 1.897 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCNC(=O)c1ccc(C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1760188118 HXFQOVISQPKJIM-GOSISDBHSA-N 497.556 1.239 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)OC(C)(C)C 1760197397 VSIAVGWSPPGJDM-UHFFFAOYSA-N 486.598 1.793 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn(CCCC)nc1C 1760294601 BJWHNEQSUOZICX-NZQKXSOJSA-N 489.646 1.956 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1760319761 UFJAKADDYUZQKN-ISKFKSNPSA-N 493.612 1.683 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1760352071 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1.056 30 10 JDEE C#C[C@]1(O[C@@H]2O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]2O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C 2037805997 CQOHDQNOAACQBL-ODVHWBMPSA-N 474.550 1.409 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2124531349 CZSVCZSSKLVKKA-FZKCQIBNSA-N 472.413 1.865 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@H]2NC(=O)OCc2ccccc2)n1 2247838064 CBRCBBVKLBQUEH-ZWKOTPCHSA-N 454.336 1.907 30 10 JDEE CCc1nc(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2255650682 DNEWSQQHGPUHHY-GFCCVEGCSA-N 455.386 1.620 30 10 JDEE C[C@@H](CCNC(=O)OC(C)(C)C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2255749351 RSSVCUUMCVLDBM-ZDUSSCGKSA-N 458.390 1.301 30 10 JDEE Cc1nc(S(=O)(=O)NCCN(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2255933365 OKFULLFQEHVCAJ-UHFFFAOYSA-N 458.390 1.173 30 10 JDEE C=C(CS(=O)(=O)N1C[C@H](NC(=O)OC(C)(C)C)[C@H]2COC[C@H]21)B1OC(C)(C)C(C)(C)O1 2255953868 PLKHPXBQOMDANY-OWCLPIDISA-N 458.386 1.728 30 10 JDEE Cn1nc(C(=O)N2C[C@H](F)C[C@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267127178 HAQDJHCVYLSRCT-KGLIPLIRSA-N 452.336 1.797 30 10 JDEE Cc1nc(S(=O)(=O)N2CC[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2267474418 UUKIYTWSRAIJAZ-AWEZNQCLSA-N 470.401 1.315 30 10 JDEE Cc1nc(C(=O)N2C[C@@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267478241 VSBQOKSRAJLZBI-KGLIPLIRSA-N 467.397 1.851 30 10 JDEE Cn1cc(C(=O)NCC[C@@H]2CN(Cc3ccccc3)CCO2)nc1B1OC(C)(C)C(C)(C)O1 2282045133 UMOTWSDXKFSKGG-LJQANCHMSA-N 454.380 1.740 30 10 JDEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282174535 GMPZHCJAZGISCX-OAHLLOKOSA-N 463.388 1.832 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC2[C@H]3C[C@H]2CN(Cc2ccccc2)C3)n1 2282497001 KIDSJHOHIXJXNC-ROUUACIJSA-N 472.420 1.518 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1 2282535254 LRRDKTYXDFIGGQ-NUEKZKHPSA-N 464.372 1.113 30 10 JDEE 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C#CCN(C(=O)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1)[C@H]1CCS(=O)(=O)C1 729332486 OWUVHTXSOWLZBW-IBGZPJMESA-N 478.617 1.758 30 10 JDEE CCCC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1136367038 GHLWOBADNPKBKC-PKOBYXMFSA-N 456.591 1.828 30 10 JDEE C#CCN(C(=O)Cn1cc(S(N)(=O)=O)cn1)[C@@H]1CCOc2ccc(Br)cc21 1136805042 RKEFBCOLAMFVAM-OAHLLOKOSA-N 453.318 1.279 30 10 JDEE C=CC[S@](=O)(=NC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1)c1ccccc1 1158669657 IWHCNGIXJXYVIU-MUUNZHRXSA-N 455.583 1.902 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CCC)C(=O)OC(C)(C)C 1286376651 MZBYUMHMZQOGIM-KRWDZBQOSA-N 484.623 1.328 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1286376702 NIDLVPRPVYIEKH-FOIQADDNSA-N 475.571 1.061 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1286381489 GOADDQYUBPTDPQ-QKLQHJQFSA-N 456.634 1.697 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1286383554 XRTBAOGZIQPNTB-IBGZPJMESA-N 459.572 1.810 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1286389238 ZRZMMBMTUSAERJ-GOSISDBHSA-N 488.591 1.925 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1286390939 AVGJHYNMPHHOOJ-FQEVSTJZSA-N 458.584 1.346 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1286392245 IEAUQNQLPIPDPJ-CADBVGFASA-N 452.577 1.198 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(O)CCCCC2)CC1 1286486827 BVDALEAQGOEAGH-DEOSSOPVSA-N 459.591 1.591 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1286489145 HKUJHNQSDTXRPU-SFHVURJKSA-N 455.584 1.654 30 10 JDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1286600874 DTVZECWPKZQVLN-QGZVFWFLSA-N 458.567 1.681 30 10 JDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1288232380 AWOWCKOXULURHV-FQEVSTJZSA-N 464.574 1.084 30 10 JDEE C[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1291295823 DLLNCUNZKPTFIZ-UWVAXJGDSA-N 458.588 1.959 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@](C)(O)c2ccccc2Br)c1 1297023384 GHEQMTUFTZGBHB-IBGZPJMESA-N 451.342 1.998 30 10 JDEE COC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3ccc(C#N)cn3)CC2)CCCC1 1299795022 BDXDWHYSOJZFJL-QGZVFWFLSA-N 488.618 1.441 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1300483956 PRNWNZDTZFWAIN-JTSKRJEESA-N 477.587 1.464 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1300485166 XZCNQZHOYAEHNS-DLBZAZTESA-N 466.535 1.574 30 10 JDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccccc1S(=O)(=O)N(C)C 1300592020 YWGPOCHGVIZXCW-UHFFFAOYSA-N 468.583 1.162 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(C)c1 1300671261 GMLVNDNCILJSAD-IBGZPJMESA-N 465.551 1.193 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1300681719 ZXPDMHHZLRGCNN-LJQANCHMSA-N 473.622 1.819 30 10 JDEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1301087276 ZMTLDVBFHXSLAE-VGOFRKELSA-N 497.618 1.293 30 10 JDEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1 1301252456 NQIRTVSOTXABMP-DEOSSOPVSA-N 465.558 1.969 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CCS(=O)(=O)CC2)C1 1301542764 FPFAADRMBBYWQL-IBGZPJMESA-N 494.639 1.955 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](CN2CCOCC2)C1 1301585388 AKGZAQDBABLFFF-GOSISDBHSA-N 480.660 1.393 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C#N)CC1 1301586314 RGZPPGLDXWPPAY-UHFFFAOYSA-N 467.555 1.533 30 10 JDEE C#CCN1CCC[C@H](NC(=O)N2CC[C@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1313293240 XLFTVDTWZCMCOB-OKYOBFRVSA-N 461.563 1.308 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(COC)CCCC1 1358890060 KMVQHPYWOSOLDB-MSOLQXFVSA-N 453.609 1.666 30 10 JDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1358956073 ZNYYTZIRFJUGLY-SFHVURJKSA-N 492.001 1.525 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1358966554 RLCQQMCDXIJGGQ-RDJZCZTQSA-N 476.628 1.596 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccc(F)cc1 1358994294 JGRUXFVXYZROEB-SFTDATJTSA-N 489.573 1.601 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCC[C@H](C)C1 1358994517 PCEFIEVTIBFHER-LEWJYISDSA-N 490.674 1.584 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@]2(CCOC2)O1 1359064151 MEVWUMBWDIAPMR-XWDORNJCSA-N 451.593 1.609 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ncccc1F)C1CC1 1359251291 HSFLYYNYBJSGHL-QGZVFWFLSA-N 466.539 1.379 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1359302926 YFGSJJQCBIMJBS-HOTGVXAUSA-N 459.576 1.077 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)OC[C@H]2C1 1359330407 QPFXVVRDRQLDSM-CQSZACIVSA-N 451.936 1.840 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1359337734 ZAIOTPNFDZUQPC-VQIMIIECSA-N 458.654 1.109 30 10 JDEE CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H](C)C1 1359390802 LGZQZWBBPOFCIP-MCYUWXCXSA-N 457.535 1.103 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC(F)(F)F 1360707591 HDUYVKDIAQTUSS-AWEZNQCLSA-N 471.509 1.644 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(C)c(Cl)cc2I)CC1 1449091745 XKCUXMNSGCDCNJ-UHFFFAOYSA-N 459.715 1.760 30 10 JDEE C=CCn1cc(CNC(=O)c2cc(S(=O)(=O)N3CCN(CC)CC3)ccc2Cl)nn1 1461057892 JFKFGEDTZFMMHE-UHFFFAOYSA-N 452.968 1.374 30 10 JDEE C=C(CN(C)C)C(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)OCc4ccccc4)CC3)[C@@H]2C1 1470488035 DOAHNFPXSUDKAK-RTWAWAEBSA-N 456.543 1.937 30 10 JDEE CN1CCCC(C)(C)[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1503679360 CUOLVLHAUFYJFD-WOJBJXKFSA-N 493.678 1.861 30 10 JDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C2CC2)CC1 1503825692 HKDVXMNPJBWJGE-QGZVFWFLSA-N 452.563 1.673 30 10 JDEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCC(F)(F)F)cc1 1504305048 CYIGGOPWWNEOHD-GOSISDBHSA-N 456.400 1.986 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCCC2)c1 1507546364 GAFLRZIQSNJZBA-QGZVFWFLSA-N 473.603 1.040 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN2CCCC2)c1 1507551759 YUBFMAGNZSUXLL-FPOVZHCZSA-N 498.653 1.968 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1507589301 VRQDVWLJWJOILU-VQTJNVASSA-N 475.619 1.679 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507631268 NEVWPPAHBOGGTN-NRFANRHFSA-N 467.599 1.832 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1507637857 CHADLYILONTTFH-GOSISDBHSA-N 486.623 1.929 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1N1CCCC1 1507642790 MRUWJVXOUYEKTN-QGZVFWFLSA-N 458.563 1.749 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1507718477 DRGRBRVLAAOMFV-AREMUKBSSA-N 480.613 1.872 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1507733059 NSZVZVDDVPGESR-RUZDIDTESA-N 482.560 1.527 30 10 JDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1507774516 IMBMPSVPAXOKDR-UHFFFAOYSA-N 477.367 1.548 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1507915896 GMJSLQLTSVIFRA-IPMKNSEASA-N 451.637 1.939 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1508072218 IDBHYNNSPJJWTK-QHCPKHFHSA-N 499.597 1.136 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1508075022 OEAFAOFHIOPGHK-XLIONFOSSA-N 485.614 1.521 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1508135806 MGHAAQHTZBBJKX-UHFFFAOYSA-N 486.642 1.680 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1508144101 BASNDLAQVXWJGC-AEFFLSMTSA-N 498.627 1.862 30 10 JDEE COc1ccc(OC)c(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 1518311918 GPCIVNNIYBHVKQ-IEBWSBKVSA-N 475.571 1.559 30 10 JDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1539132656 QBNRNCIPYODQLX-CTNGQTDRSA-N 455.607 1.193 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OC(F)F 1539179868 SVCGFDHUPILQTQ-KRWDZBQOSA-N 469.514 1.525 30 10 JDEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CC1(C(N)=O)CCOCC1 1539194182 SBCNDHWAAUALBR-UHFFFAOYSA-N 462.348 1.971 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1539205751 KFSZOTIUIMCJDE-JHDZUBBNSA-N 480.631 1.762 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1539216079 NLCCJLXUXGKEFG-IBGZPJMESA-N 454.556 1.752 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(O)CCN(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1539216471 SKIDFNCWIRLRCD-SFHVURJKSA-N 460.604 1.135 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539218985 ARZSUKVXINFTAY-JKSUJKDBSA-N 494.618 1.159 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)n1 1539265994 LGWLDHDPQADDOZ-INIZCTEOSA-N 482.488 1.146 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ncnn2C(C)(C)C)CC1 1539430144 GTFFSDNDLUWHLB-HSZRJFAPSA-N 456.595 1.469 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC(=O)N(C)C)CC1 1539462900 PCCMRWVKXMICNX-SFHVURJKSA-N 459.595 1.584 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC(=O)NC(C)C)CC1 1539474115 JXIPFMGHRPLDNW-UHFFFAOYSA-N 482.585 1.843 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1539482904 YEFOWXBJTNBCTF-FCHUYYIVSA-N 472.634 1.842 30 10 JDEE C#CCSCCn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539531322 WCGNIIOUWDVPNL-WIYYLYMNSA-N 451.593 1.026 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1539705021 LYQHRGXAXGTKOF-IBGZPJMESA-N 492.602 1.487 30 10 JDEE C=C(C)COCCn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1539758856 BCQCMOIBQGDQKQ-XMMPIXPASA-N 477.606 1.598 30 10 JDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1540039653 DOHKFJUXHHVKBS-INIZCTEOSA-N 459.576 1.418 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@@](C)=O)CC1 1540133368 HSKKZFSBMWNDTI-PSTIOWGYSA-N 493.655 1.715 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)C(F)(F)C21CCC1 1540863395 VSYBEMUWFDURAJ-AWEZNQCLSA-N 472.562 1.596 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccnc2)C1 1540893178 YJDSQQKJYIKTGW-MOPGFXCFSA-N 462.576 1.030 30 10 JDEE CCc1cnc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)s1 1546350588 AHQYWSVOZIXQKH-QGZVFWFLSA-N 479.632 1.808 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)C1 1547780011 HKYILEHDEZCFRJ-OAQYLSRUSA-N 487.630 1.182 30 10 JDEE C=CCNC(=O)CNC(=O)NC[C@H]1CCCN1Cc1ccc(I)cc1 1564648558 KACXKRXDQQMMGG-MRXNPFEDSA-N 456.328 1.857 30 10 JDEE CCN(C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1)S(C)(=O)=O 1565690441 GJEUUWCWMKDERK-OAHLLOKOSA-N 452.964 1.837 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2C[C@]2(O)CCN(C)C2)c1 1587683167 CWDVENYOMAWOLT-VWLOTQADSA-N 481.601 1.319 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN2CCc3ccccc32)CC1 1588741594 FOBRCSLIFAZYNQ-LJQANCHMSA-N 471.631 1.096 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1593636620 OMDKQUCOFMSADV-RXVVDRJESA-N 465.551 1.424 30 10 JDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1594803580 YIKMECBPBJCDGA-UHFFFAOYSA-N 481.601 1.873 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1594813404 SAOFACJJVJTTAX-FHWLQOOXSA-N 469.608 1.067 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCc3ccccc3C2)C1 1595673588 IFQCOKVYDAIIQP-WIYYLYMNSA-N 474.631 1.728 30 10 JDEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)CC1 1617334119 GLDDWSYVCPTWCR-UHFFFAOYSA-N 468.587 1.849 30 10 JDEE CSC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)CCN(C)CC1 1620222357 ATCBCSVOOFPEQE-DLBZAZTESA-N 485.680 1.034 30 10 JDEE C[C@H](C(=O)N1CCCC1)N1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 1621902880 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C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1690726949 QVZMYKPWHYXKMU-YWZLYKJASA-N 467.617 1.619 30 10 JDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1695437701 CGMQPPDXLOGDLW-UHFFFAOYSA-N 452.563 1.927 30 10 JDEE CCS(=O)(=O)NCCn1c(COc2ccccc2OC)nnc1N1CCC[C@@](C)(C#N)C1 1696504993 DXXNKDGMSCOBOG-NRFANRHFSA-N 462.576 1.935 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1705560428 KQROGVVRJHSDFA-SFHVURJKSA-N 465.539 1.304 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1705562893 MFFPZXDFORBFLN-SIKLNZKXSA-N 455.540 1.249 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1705563390 WPBMISOUIBCJNE-UZLBHIALSA-N 467.979 1.408 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1705569242 FIZJCEUUWKMIJO-LJQANCHMSA-N 456.572 1.570 30 10 JDEE C#CCN(c1nnc(CC)n1CCCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1705570831 RVAAGSRQLFUMMU-HNNXBMFYSA-N 455.382 1.517 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCN1CCCO 1705590728 UTPJLNDGWMQIHI-NRFANRHFSA-N 497.669 1.856 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OC(C)(C)O2 1705599186 WCUSZVVFVASKID-OAQYLSRUSA-N 499.593 1.630 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(C)CCCO2)CC1 1705644166 HWBIVERSJHYPJP-HSZRJFAPSA-N 451.531 1.460 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(N(C)C)CCSC1 1705674803 RLFJUVXALSTTAP-DUXKGJEZSA-N 482.676 1.040 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705705660 JZLJFAXAWMLJOX-RBBKRZOGSA-N 498.632 1.294 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1705792367 RUDAEAFRKWIDJG-QZTJIDSGSA-N 478.663 1.572 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1705938219 QNEIBVDWJVONBY-INIZCTEOSA-N 477.543 1.107 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1705960767 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C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC(C)C)N(C)C 1722397119 NCBNKZJYAWGDLC-UXHICEINSA-N 464.636 1.050 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cccc(CN3CCO[C@@H](C)C3)c2)CC1 1722444937 PKZJXRARCLQTHD-IBGZPJMESA-N 450.587 1.821 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1722459134 CUIVALDSQDQDIA-QGZVFWFLSA-N 490.611 1.781 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1722460369 XQPYMWNRAMZXJV-INIZCTEOSA-N 492.627 1.242 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCNC2=O)CC1 1722491611 LZTMDZILKUYWNZ-AOIWGVFYSA-N 495.650 1.254 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722511787 LXCXXYYSDDZIFY-KRWDZBQOSA-N 471.591 1.605 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1722536210 CIJWTJWHZAKABO-LAUBAEHRSA-N 464.592 1.258 30 10 JDEE C=Cc1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1722570692 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C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@](C)(O)c1ccccc1 1690076995 GKMBJHKUUXYYQW-KNQAVFIVSA-N 461.588 1.368 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[S@](=O)C(C)(C)C 1690098084 UUTUFESHQJTNLE-YTTGMZPUSA-N 456.576 1.554 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C(C)C)N1CCOCC1 1690100820 DIURAPRLUOJUPO-JOCHJYFZSA-N 493.612 1.635 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(OCCCOC)c2)CC1 1690122152 IBHDERVDNZMUIH-NRFANRHFSA-N 452.559 1.448 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@](C)(O)CCOC)CC1 1690145916 ARQXUPVTVSYTRO-SQJMNOBHSA-N 483.569 1.544 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1690174322 BLMWPABKKYJGET-KSZLIROESA-N 490.630 1.668 30 10 JDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690288276 PWJNBQBNGUKFFS-IBGZPJMESA-N 491.637 1.809 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2nc(C)cs2)CC1 1690288393 WRGSWLMSEYZEPF-MRXNPFEDSA-N 467.621 1.279 30 10 JDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690316409 CVDBXWXESHYSGY-UHFFFAOYSA-N 475.619 1.400 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(OC)CC1 1690597119 KBTCMCOBBJJCSO-CTWPCTMYSA-N 453.609 1.995 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1690677831 BPYAGDXSTXCUQA-DENIHFKCSA-N 489.665 1.489 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1690692038 PZRWGMKJYDDIAQ-DNVCBOLYSA-N 453.952 1.324 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1690722765 UYUZDPDAJYYKMS-BGYRXZFFSA-N 475.663 1.869 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1690724213 KIHJSKKZEDLNOF-JKSUJKDBSA-N 455.581 1.486 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1690724966 ZWIQQDPZIQAIMX-AWEZNQCLSA-N 469.514 1.736 30 10 JDEE C[C@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)CCCO1 1693842710 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C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1705890798 JDSUPKAMMDNAMM-PMACEKPBSA-N 477.587 1.601 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1705891094 YRAHLZNSRXSKNW-LJQANCHMSA-N 492.577 1.289 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1705907493 OPIVQKJKSKMJOE-SFTDATJTSA-N 483.665 1.437 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccc2OC)C1 1705925162 LTSGVEIKFVWVDA-TZIWHRDSSA-N 491.614 1.644 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705935513 UEOKXYIRLVCZDJ-UHFFFAOYSA-N 477.635 1.901 30 10 JDEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1711603863 FFVZFVAIUXQNGM-HSZRJFAPSA-N 454.531 1.593 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1722367313 VPHUZIODPWMMIW-GOSISDBHSA-N 459.547 1.161 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1ccccc1F 1722387630 OBHGXTCNOLVDNJ-UHFFFAOYSA-N 459.485 1.957 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCc3cccnc32)CC1 1722431760 NSBCSZBWQWGUPM-MJGOQNOKSA-N 457.604 1.159 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC(=O)NCCC)CC1 1722444220 VFGBGVKLPXJOQZ-UHFFFAOYSA-N 490.406 1.918 30 10 JDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(N2CCOCC2)C1)c1ccccc1 1722539591 ULTDREQBTUJLCB-AUSIDOKSSA-N 474.631 1.903 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(O)c2)C1 1722711877 XTQUHZAKOQRUNK-ZBFHGGJFSA-N 451.549 1.432 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCc2sccc2C1 1722724275 SEKKYEQXBJUFMK-AWEZNQCLSA-N 473.646 1.503 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](C(=O)OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722731578 OMUJWXQNBUDBRJ-LAUBAEHRSA-N 470.592 1.309 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOCCN(C)C)C[C@H]2C)CC1 1722800187 YWGJLZOOCVNRKK-HYBUGGRVSA-N 494.644 1.384 30 10 JDEE CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1)N1CCc2ccccc2C1 1727238446 GUFRXHSFJIHUOF-RTWAWAEBSA-N 451.575 1.982 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C)nc2)C1 1728686256 CCQFGZSDZIOFPJ-NRFANRHFSA-N 481.582 1.999 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2c(C)cccc12 1740610884 ODWFRYSZMDSZJT-IBGZPJMESA-N 456.572 1.713 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1740617313 PIYYMLOFTPZLEG-COPCDDAFSA-N 466.604 1.515 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCSc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740622661 FXGAYRJEDICTNH-SJLPKXTDSA-N 459.597 1.648 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1740624494 HMJRLUBSUGZKQK-HXUWFJFHSA-N 471.583 1.646 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(C(N)=O)CCOCC2)CC1 1740699283 ALCKGPUEHMYDKE-UHFFFAOYSA-N 466.586 1.511 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2cccc(C)c2)CC1 1740701152 WHQJNDIYPSMJOI-UHFFFAOYSA-N 464.570 1.867 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)nnc1C(C)(C)C 1740966180 WQPJRLZXNQUSTA-UHFFFAOYSA-N 467.621 1.154 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(COC)CCCCC2)C1 1740981173 OHCNGCFAYLKZAV-UXHICEINSA-N 497.662 1.989 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1740990646 CFLKVMFSPVLCFN-WOJBJXKFSA-N 478.663 1.778 30 10 JDEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740998442 MSERGUGCRUJJLV-OAHLLOKOSA-N 472.571 1.029 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1741001074 KLTSGCLGQNUHGQ-HOTGVXAUSA-N 458.592 1.546 30 10 JDEE CC(C)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1)N1CCOCC1 1741983088 FQSNETYDITVEEL-DYESRHJHSA-N 450.609 1.421 30 10 JDEE Cc1noc(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1742881513 ICRJLMCNTDZDJX-YWZLYKJASA-N 485.570 1.991 30 10 JDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)CCN1CC(F)(F)F 1743319093 BXFUWCJXJAOCMO-OAHLLOKOSA-N 475.479 1.978 30 10 JDEE CCN1CCN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(=O)OC)C2)CC1 1746469335 CABGDGAHEMNYGZ-NRFANRHFSA-N 481.601 1.756 30 10 JDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(C(C)=O)CC2)CC1 1746521802 IEOHGLKRWPHPGP-UHFFFAOYSA-N 464.574 1.927 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@](C)(O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1748802711 RMDUUBFRBFWOFP-PGRDOPGGSA-N 494.017 1.604 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCCS1(=O)=O 1748858560 PWRFRQMJSPNWTF-MOPGFXCFSA-N 491.614 1.627 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1749015095 RQKMOTKWOGTSMB-SJLPKXTDSA-N 460.579 1.661 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1749139166 BUOGIMGDKNNIDO-MXBUBSDBSA-N 497.662 1.770 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OC)CC1 1749368086 AMCFDTNCUKFWHT-MRXNPFEDSA-N 470.596 1.102 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1749737220 ZOMNRPNJQHNFNP-OAQYLSRUSA-N 463.535 1.640 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1760098807 WYNOAPNVPSSGBM-DFBDCSAJSA-N 480.635 1.849 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1760185527 YSFIRZBUWVERED-MRXNPFEDSA-N 459.572 1.353 30 10 JDEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760226589 WBAJXTYPPLEEIX-SFHVURJKSA-N 453.362 1.717 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)N1CCOCC1 1760244540 YRHFRROMPNKXLU-OAHLLOKOSA-N 451.369 1.842 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCn2cc(Br)cn2)CC1 1760257511 YFXIDFJSSNIJFC-NRFANRHFSA-N 492.422 1.733 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1760269549 LEOVYHUNEDUQMI-QWFCFKBJSA-N 477.631 1.351 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760314134 SWUMJNQRAJYZBQ-XGHQBKJUSA-N 451.593 1.413 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760324096 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C=C1CC[C@H]2[C@](C)(C(=O)O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CCC[C@]2(C)[C@H]1CCC1=CCOC1=O 2333301738 WWMGXPVENJOYMP-PKQKHNPHSA-N 494.581 1.372 30 10 JDEE COC1(CCNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN(C(=O)OC(C)(C)C)C1 2362339371 BHXOJUMZPYTDKZ-UHFFFAOYSA-N 464.372 1.475 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)CC1 33233779 ZEOOWUMWSGVNPN-UHFFFAOYSA-N 456.568 1.856 30 10 JDEE N#Cc1nccnc1OC1CCC(NC(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)CC1 585355890 QLNYZAOUPAHLKF-SLTAFYQDSA-N 452.540 1.937 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1286387017 MNJJHTPSMSJOKF-MRXNPFEDSA-N 457.585 1.760 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC 1286431810 SBBUMALSNRXKSK-NRFANRHFSA-N 471.583 1.521 30 10 JDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1cc[nH]n1 1286447514 KXPPXCYINDLNSY-QGZVFWFLSA-N 472.550 1.199 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1286473925 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C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1F 1300672065 UWCGRZOZVQPGCO-GOSISDBHSA-N 483.541 1.218 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccs1)N(C)C 1300805857 JRKXSUIASJMVKU-NPPFBWRTSA-N 492.671 1.968 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C1CCCCC1 1300805867 JVBACNUOWOXGMP-NZQKXSOJSA-N 478.663 1.868 30 10 JDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1301160697 VMQSCSKRBAFSHQ-IBGZPJMESA-N 494.662 1.634 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2nccnc2C)CC1 1301189265 UIBDPFCVBVPJFY-IBGZPJMESA-N 490.634 1.392 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC(=O)N(C)C)C1 1301543566 MJXXVPFCQCSICX-SFHVURJKSA-N 461.588 1.998 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](COC)C1 1301589661 WBELUSXEJIZOAG-MSOLQXFVSA-N 499.634 1.660 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)C1 1301649848 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1507536767 DVTPCFBRXVVRKF-XLIONFOSSA-N 471.587 1.509 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CC(F)(F)Br)[C@H]1CCS(=O)(=O)C1 1507631991 WHOVEQPSESAZFA-ZDUSSCGKSA-N 460.304 1.955 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1507639763 MAJCYIDQCQLPLH-JKSUJKDBSA-N 455.531 1.463 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1507640792 WDEOMCCIZDFSJD-REWPJTCUSA-N 476.647 1.954 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCN(C)C1 1507669690 PNUFNSSORWAKQT-NBGIEHNGSA-N 470.618 1.922 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCCC2)CC1 1507734660 SRZXSGCBZJGCSH-UHFFFAOYSA-N 451.531 1.915 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@]2(O)CCOC2)CC1 1507735500 XCFGMJJEELUGEV-AREMUKBSSA-N 497.596 1.860 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507805501 JRKHYUBKZJKJLO-WCLQXYBISA-N 489.598 1.611 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(=O)N(C)C)CC1 1507868284 HGYDVAHOXHIQAR-INIZCTEOSA-N 475.015 1.058 30 10 JDEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1508037839 LLUASLPQOQIYLP-HNNXBMFYSA-N 454.984 1.914 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1508137377 ZMWBXASTIJHOFG-VGOFRKELSA-N 457.556 1.802 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1508144127 BNRHDWJVLJCZCI-GOSISDBHSA-N 461.592 1.116 30 10 JDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](c4cccc(C#N)c4)C3)n2CC(=O)NCC(F)F)n1 1511718171 HXFQAQIIQSKECK-IBGZPJMESA-N 484.511 1.971 30 10 JDEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1515008579 CGCYADKWCMSQRD-NRFANRHFSA-N 479.585 1.808 30 10 JDEE COc1ccc(C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1518108232 CWAVSJPMUAYMCR-DLBZAZTESA-N 454.531 1.953 30 10 JDEE COCCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1519161841 BIEHIZHWMNUIGJ-QFIPXVFZSA-N 452.519 1.027 30 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CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1547236432 CIXKTYDHZVACDX-GOSISDBHSA-N 473.603 1.499 30 10 JDEE CCCNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1547241245 GXNOFBFGASFZSU-HXUWFJFHSA-N 464.574 1.339 30 10 JDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1548321862 DHGCEBVXZZFZDL-OAQYLSRUSA-N 460.560 1.126 30 10 JDEE Cc1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1NC(=O)CCN(C)C 1556099754 AKPXTYMQNZYIOP-UHFFFAOYSA-N 457.556 1.953 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(CCC)C(=O)OC(C)(C)C 1587563195 YVCJIDMPJNZSLA-HZPDHXFCSA-N 456.613 1.993 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc2c(c1)OCO2 1587639426 LQVDNJFVPNENHJ-OXQOHEQNSA-N 489.598 1.775 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccncc2)c1 1587683194 DNIJOBKDUOUGEH-KRWDZBQOSA-N 481.582 1.582 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1587862681 ZNWRSAZWILGIJH-ZWKOTPCHSA-N 491.618 1.915 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(F)(F)Br)[C@H]1CCS(=O)(=O)C1 1588024397 BGNWSUXVMYCWDR-LBPRGKRZSA-N 480.335 1.129 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1588050279 QIGZHOXOEMIJJJ-UXHICEINSA-N 471.631 1.730 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCC2)cc1 1588084185 NOAVYNVWSCYFDN-IBGZPJMESA-N 454.600 1.605 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCCS2(=O)=O)n1 1588724077 UEEGAKSQPVNWTF-VQTJNVASSA-N 476.603 1.580 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(O)CCSC2)CC1 1588908292 NKAWNKYIIYNFMO-DEOSSOPVSA-N 485.610 1.796 30 10 JDEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1595250376 CNIOWBTUNWROMR-QGZVFWFLSA-N 457.560 1.845 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2c(ccnc2O)C1 1595497307 XGGSAADRBUZJNF-UHFFFAOYSA-N 468.539 1.314 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1595551145 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C#CCN(c1nnc(-c2ccccc2)n1C[C@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689984937 YQDVSYNHUPWHKN-FGZHOGPDSA-N 471.627 1.929 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(SC)CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 1689989958 KDWJKBYNHRRYEV-ZWKOTPCHSA-N 467.661 1.236 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1689995816 ASFTZFRDKGXRCZ-GOSISDBHSA-N 484.607 1.534 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1689996625 KWTDJCOPBCPQTC-KRWDZBQOSA-N 458.519 1.405 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)NCC(F)F)CC1 1690114947 MMHVEZWEHBKQOV-UHFFFAOYSA-N 454.428 1.683 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC[C@H]2CC)CC1 1690124035 DGJGRTYOMCIEJA-AABGKKOBSA-N 464.636 1.193 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCc3ccccc3C2)CC1 1690136769 JKZVIMXLUWRNLH-UHFFFAOYSA-N 477.613 1.440 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1690137246 RLXSKUGIQPHNNF-SFHVURJKSA-N 452.550 1.723 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NCCC)C1 1690237228 WQZSXLQPLUFZNY-YRXWBPOGSA-N 482.651 1.612 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690632712 MEUFZAOMSOYTMT-UHFFFAOYSA-N 482.632 1.242 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(=O)N(C)C)c2)C1 1690709453 HOLDIXGXTCTPEC-HXUWFJFHSA-N 452.559 1.932 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C=C)CC1 1690719583 PUZYQGDTUXICJP-UHFFFAOYSA-N 454.560 1.924 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1690722481 KYKDNUCAZPIXKC-IBGZPJMESA-N 457.560 1.351 30 10 JDEE C[C@H]1CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CCCO1 1693837000 HNCXXJMASFCKSI-OALUTQOASA-N 451.575 1.985 30 10 JDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1696579956 GFVWKTNOZPTTNU-UHFFFAOYSA-N 461.530 1.272 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCCCO2)CCO1 1696972398 DPIJXXISERHAQH-ICSRJNTNSA-N 454.531 1.639 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCn2cncn2)c1 1705504512 YEYFPCQINFAPAG-DEOSSOPVSA-N 478.557 1.667 30 10 JDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1705531761 VNFCNBUXORSDLI-UHFFFAOYSA-N 490.612 1.596 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1705561177 NXEVTKGHYAPFDH-IPJJNNNSSA-N 464.588 1.291 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCCc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1705568220 JKWHICVHNLVEDL-SFHVURJKSA-N 490.655 1.815 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nccs2)C1 1705661770 ITQUHVFPEOJMEB-CABCVRRESA-N 453.615 1.581 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1705678406 ZVSBAIKPWLTQNM-JJEOQYAHSA-N 493.630 1.892 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1N1CCOCC1 1705711082 ZUAYEYTVKVAPIS-KRWDZBQOSA-N 463.608 1.571 30 10 JDEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1 1705755871 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C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)C 1540135976 DXEGCHWTSBFAPI-XLIONFOSSA-N 480.610 1.893 30 10 JDEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cc(-c4cccc(C#N)c4)no3)CC2)C[C@H](C)O1 1540845673 DBSHYIFGDQXIPJ-HOTGVXAUSA-N 459.528 1.325 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1540872861 CTBHETTYFAQWQN-UHFFFAOYSA-N 451.575 1.795 30 10 JDEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1540913824 UVWNXWPRKXGJFA-GOSISDBHSA-N 483.598 1.545 30 10 JDEE CC(C)C(=O)NCCn1c(-c2cnccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1541285236 GXZWEZJCWQZZLA-UHFFFAOYSA-N 463.521 1.845 30 10 JDEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N1CCOCC1 1541801746 CDRIDUMIMLEUTP-MRXNPFEDSA-N 464.530 1.179 30 10 JDEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1545148117 HYCOKXLQVYNMSN-MBSDFSHPSA-N 456.547 1.037 30 10 JDEE COC[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1555231085 GLGXCUGMXFJUJO-IBGZPJMESA-N 467.574 1.080 30 10 JDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCOCC2)cc1 1586756757 SDIUSWZLVAIURS-UHFFFAOYSA-N 453.561 1.955 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1587765217 DADROTGEHYSGKG-LJQANCHMSA-N 496.634 1.472 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CC(=O)NCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1588029574 JFOINXXTOQRQGL-IBGZPJMESA-N 457.600 1.561 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588045830 RGBOPJOCZGHNLO-PZJWPPBQSA-N 457.600 1.540 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCCS1(=O)=O 1588472253 CZRTYKQNKQOSIR-UHFFFAOYSA-N 497.556 1.740 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sc(C)nc1C 1588647477 VQIQOKFMDUAINV-KRWDZBQOSA-N 482.632 1.013 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(C)COCCO2)CC1 1588899619 TZJHWJICGRHCKJ-RUZDIDTESA-N 483.569 1.734 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(=O)NCC(F)F)CC1 1588908660 UNGIRUWZVYLZQE-UHFFFAOYSA-N 494.930 1.954 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CN(Cc3ccccc3)CCO2)CC1 1588968932 SJILVTUYDGKLDB-HSZRJFAPSA-N 480.613 1.681 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1nccs1 1589216047 IZSCYXSQWKDMSU-JXXFODFXSA-N 464.617 1.863 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1589295408 GFACORYSBZPGMG-RYUDHWBXSA-N 489.362 1.870 30 10 JDEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCS(=O)(=O)NC(C)C)CC1 1594083251 KCMKTILILPRSPU-UHFFFAOYSA-N 471.587 1.676 30 10 JDEE C=CC1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCNS(C)(=O)=O)CC1 1594409324 VQAOSGOVQUPVJK-UHFFFAOYSA-N 487.674 1.594 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1595551403 QDUKAHIQIILGSF-RLTKGDLXSA-N 479.628 1.417 30 10 JDEE CC(C)(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1597428254 IABRDIUZJABAGM-QGZVFWFLSA-N 453.547 1.735 30 10 JDEE CC(C)CN1CCO[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccccc3C#N)CC2)C1 1607572701 GRHTYMMHUANOJC-JOCHJYFZSA-N 494.644 1.971 30 10 JDEE CCCN1CCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1614889653 HDUIJFQERQPNKO-IPJJNNNSSA-N 479.651 1.615 30 10 JDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1619768140 DDESWFFJNMJJPA-XMMPIXPASA-N 469.590 1.251 30 10 JDEE C#C[C@@H](NC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1)[C@@H]1CCCO1 1680313816 AUUDWNHFCURWQV-MSOLQXFVSA-N 450.333 1.863 30 10 JDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC12CC(NC(=O)OC(C)(C)C)(C1)C2 1689945675 HSSKQYHZFNJKQR-JAGHRAMZSA-N 452.581 1.405 30 10 JDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1ccc(S(C)(=O)=O)cc1 1689959522 CBCPGFMEZDPAKF-UHFFFAOYSA-N 486.623 1.954 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1689985985 GOBLCRUGZBOAOK-NQIIRXRSSA-N 457.581 1.936 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@](C)(O)CCOC)CC1 1690142877 WLJNSXGDGOXFLQ-XMMPIXPASA-N 455.559 1.707 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCc2cnn(C)c2)CC1 1690152213 CCTNORAWGRYFCE-UHFFFAOYSA-N 494.625 1.602 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CCn2cncn2)CC1 1690152525 ODJIDMUVCDNNDP-UHFFFAOYSA-N 464.530 1.123 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1690508529 KNWHWCQURMMXDL-ROUUACIJSA-N 499.634 1.503 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(-n2cccn2)cc1 1690526764 DCXDPBMFMXBZPW-FQEVSTJZSA-N 471.587 1.662 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)Cc1ccccc1 1690527061 IOLLOFKJEOZSSJ-UYAOXDASSA-N 462.620 1.754 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1690675398 ZHTIJSKKSZEGIH-HXUWFJFHSA-N 454.575 1.626 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2csc(COC)n2)C1 1690700611 VIGBEHHTLBWWCI-GOEBONIOSA-N 453.590 1.613 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1690722816 WPRHGGUCUZZMPV-INIZCTEOSA-N 479.628 1.907 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1690724337 MSFRLAHGBBEWDL-FUHWJXTLSA-N 450.565 1.084 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1690993043 DLCCTQVATPXSGL-QGZVFWFLSA-N 453.547 1.625 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCc3cccc(C(=O)N(C)C)c3)CC2)c1C#N 1693405496 ALLQYXYYUSZGIH-UHFFFAOYSA-N 461.574 1.771 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCCC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705560996 PIXTXYXGRFARQR-JKSUJKDBSA-N 459.638 1.341 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1705568826 VTSUTOAXHVSQTO-JTSKRJEESA-N 492.623 1.360 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)N(C)C 1705588965 IECXCTCFXWXHMN-UHFFFAOYSA-N 476.990 1.216 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCS(=O)(=O)N(C)C)CC1 1705650468 RFEPFGFDZFUOKS-UHFFFAOYSA-N 497.625 1.207 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1705659992 KTCJQXXAJVKEEL-HZPDHXFCSA-N 458.592 1.424 30 10 JDEE C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705721342 VRTLKESVXJBITI-SJORKVTESA-N 454.531 1.540 30 10 JDEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCn2cncn2)CC1 1705777323 FJFMOVCUJHNGSA-UHFFFAOYSA-N 456.576 1.890 30 10 JDEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1705788113 PITWJJCUFUYZTO-UHFFFAOYSA-N 460.546 1.754 30 10 JDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1705823053 ZOAYTQVQDOXLCM-UHFFFAOYSA-N 474.591 1.746 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CCN2CCN(C(C)=O)CC2)C1 1705929456 RADUDKKWIDJCKE-HXUWFJFHSA-N 472.565 1.942 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1705935700 AQPLNTNEPFBMBX-HRAATJIYSA-N 498.602 1.018 30 10 JDEE C[C@H](NC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1706848374 HWBZCLMQYWUDDF-YQVWRLOYSA-N 475.619 1.746 30 10 JDEE CN(C)c1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)c1 1711005588 CCUNKRCRBDUZTN-NRFANRHFSA-N 487.630 1.855 30 10 JDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1(CS(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1711026042 CNLBEFOVQQFSDC-QGZVFWFLSA-N 463.585 1.265 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1COc2ccccc2O1 1722316200 DFWKUHJWRCAUBQ-RXVVDRJESA-N 489.598 1.691 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](c1cccc(OC)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722362081 RRRSNRYJFDVEIL-IFMALSPDSA-N 497.625 1.617 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1722432666 BZRISBHBMFXWRM-DEOSSOPVSA-N 487.626 1.278 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CCN2CCOC[C@H]2C)CC1 1722450391 GVFMSZVRSAHAPO-HXUWFJFHSA-N 496.612 1.552 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(C(C)=O)CC1 1722454366 JVYVBHMDMROVFE-UHFFFAOYSA-N 490.655 1.620 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)=O)CC1 1722456054 YNBKUOFBONDIAC-UHFFFAOYSA-N 476.628 1.230 30 10 JDEE C#CCSCCn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@]1(OC(C)C)CCOC1 1722464009 RZVQXNJCDNTCOJ-QFIPXVFZSA-N 476.603 1.206 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCOC2)C1 1722588774 ZKKFVTPEBXJFCG-LAUBAEHRSA-N 453.609 1.830 30 10 JDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1722628656 YMCTWKPMXWOYBY-UXHICEINSA-N 473.622 1.345 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2csc(C)n2)CC1 1722736872 LEORWBWISPMYHO-GOSISDBHSA-N 466.633 1.818 30 10 JDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCc1cnn(C)n1 1722873869 FUGXBIMZUGZRSF-HOTGVXAUSA-N 456.576 1.836 30 10 JDEE COc1cccc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCNS(C)(=O)=O)c1 1730231045 DLMPXMAZKGXSLZ-UHFFFAOYSA-N 482.570 1.096 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(=O)N(C)C)c1 1740551977 MJHJUMXKFLZUNO-WMZOPIPTSA-N 459.572 1.153 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1740592287 UVNBTOFECANXNM-LJQANCHMSA-N 499.597 1.700 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-n2ccnc2C)nc1 1740671417 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MDZFNHHTIPFIGX-UHFFFAOYSA-N 461.526 1.612 30 10 JDEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCOCCOC)[C@H]1CCS(=O)(=O)C1 1300484064 QWPXJGHHRYUFBP-SFHVURJKSA-N 458.540 1.981 30 10 JDEE C#CCN(c1nnc(C2CC2)n1C[C@H](CC(C)C)NC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1300494081 YINXTIOBHSCYOE-ZWKOTPCHSA-N 451.593 1.943 30 10 JDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1301251286 AWFOKNVQSUJYMK-LJQANCHMSA-N 456.547 1.994 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC1CC(F)C1 1301484564 ILBRGPDITWNPEB-UHFFFAOYSA-N 464.567 1.682 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCSCC1 1301496564 CXHHUDLUKIXFJD-UHFFFAOYSA-N 453.572 1.920 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1301635454 RXTDUSWXACWDQB-XDOYNYLZSA-N 467.530 1.820 30 10 JDEE CC(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)CC1 1303316494 ATHHEHIMMVJELO-UHFFFAOYSA-N 453.591 1.981 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1314553793 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473.622 1.247 30 10 JDEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C(=O)NC 1359133738 YLKDXAQTWZXGKW-MSOLQXFVSA-N 480.610 1.998 30 10 JDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1359135015 PLVWREGCHVSMEF-OAQYLSRUSA-N 467.618 1.990 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1359150632 CPWZVTZCVCOFHD-IPELMVKDSA-N 485.054 1.312 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C(=O)NC)CC1 1359291374 OCZXHNNANFPCEB-UHFFFAOYSA-N 453.547 1.412 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C)(COC)CC1 1359297836 DHFGQNNRXYSTQD-UHFFFAOYSA-N 475.619 1.793 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2OCCC[C@H]2C1 1359300682 ILPJUZCIYIKJHA-GBESFXJTSA-N 490.605 1.894 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCOC2)C1 1359326110 SOYGOXCKKCUGFW-DDOIHHOZSA-N 463.579 1.982 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 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C#CCN(c1nnc(Cc2ccncc2)n1CC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539225841 QMGGHAFWWHSBBG-NRFANRHFSA-N 484.626 1.682 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cnc(C)s2)CC1 1539434704 UBTKWHHOZDEQLJ-UHFFFAOYSA-N 485.639 1.764 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCSCC#C)CC1 1539477461 NDXFQKRTHMBZPI-UHFFFAOYSA-N 489.605 1.524 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1539489376 MNANCTXVXMUCIH-NRFANRHFSA-N 489.690 1.112 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1540865369 DDYXAEQAGSTGCQ-UHFFFAOYSA-N 476.585 1.253 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1540887023 NYFVVPCDZYGMEM-VGSWGCGISA-N 478.571 1.293 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)C(C)C)CC1 1540904321 MELUCKOBGQCJTB-FQEVSTJZSA-N 489.598 1.696 30 10 JDEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@H]2C1 1540916496 CILOGWNVFFJIBJ-IRXDYDNUSA-N 493.634 1.720 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(N2CCOCC2)CCSC1 1541803061 BWDVJHXCUOAYHD-MBOZVWFJSA-N 468.649 1.126 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)ccc1F 1543487860 HRLAICTXBKLHJP-UHFFFAOYSA-N 451.442 1.821 30 10 JDEE COCCN(C)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1555528647 GYFQHMPSYAORSF-UHFFFAOYSA-N 484.580 1.316 30 10 JDEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](c2ccco2)C1 1555818641 DFHJZVASYVZWOO-QGZVFWFLSA-N 456.528 1.865 30 10 JDEE CS[C@@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1555831575 GPPKSKYONMVYHZ-HOTGVXAUSA-N 463.633 1.838 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1587640595 UKMDIUZIXFKZFM-ZRNYENFQSA-N 480.679 1.825 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1587692317 CBAUSKXZHUVUEV-RWUVGJFLSA-N 489.536 1.365 30 10 JDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1587878538 AAQRBWWOHWALTB-IBGZPJMESA-N 462.620 1.645 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588040274 LENJTMUZQROZKK-OAQYLSRUSA-N 480.594 1.846 30 10 JDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1588050194 PMLAXBHQGQXAOM-QPPBQGQZSA-N 498.609 1.545 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(COC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588053026 ADAXXGGVZXCOLR-QZTJIDSGSA-N 463.604 1.453 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1589164712 ZTCCTWJUVODBJT-MOPGFXCFSA-N 482.404 1.588 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOCC2CCOCC2)CC1 1594240784 AAWRWHVFLBWRIW-NRFANRHFSA-N 497.662 1.847 30 10 JDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1594625132 DTJLTUWBQXHMLN-OALUTQOASA-N 464.636 1.279 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1594733181 ONMGRSSKPWGMEJ-LJQANCHMSA-N 495.650 1.304 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@](C)(OC)C1 1595530178 VTVBOJFPLSDLCA-NRFANRHFSA-N 461.592 1.546 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCCN(CC)C(=O)C1 1595823712 RRGDVBMAWHEIMF-UHFFFAOYSA-N 461.588 1.825 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC(O)(C(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1595831900 ZGSVLMDLGPTYOE-QGZVFWFLSA-N 482.525 1.425 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCCC2=O)CCO1 1596672959 BZNCDNRPMPCQGB-QFIPXVFZSA-N 495.584 1.473 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)c2)CCO1 1596673873 GRTTUOYMPAXLFD-JOCHJYFZSA-N 478.557 1.436 30 10 JDEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)CC1=O 1607566553 CQPANLYBWGZYDU-UHFFFAOYSA-N 463.546 1.715 30 10 JDEE C[C@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1613009919 GCGSUJUSAXVUGV-SFHVURJKSA-N 473.603 1.009 30 10 JDEE CC[C@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1613718045 GEHQYJBOCCHVPX-FGZHOGPDSA-N 475.571 1.284 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1617384036 ARKIFZBYQWHJEG-OAQYLSRUSA-N 498.613 1.475 30 10 JDEE C=CCOC[C@H](NS(=O)(=O)c1ccc(C(=O)OCC)cc1Br)C(=O)OC 1622074057 RDBWYSKOLJXBQG-ZDUSSCGKSA-N 450.307 1.648 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)ccc1F 1628057001 YHCACSVWUGLHSM-CYBMUJFWSA-N 455.533 1.771 30 10 JDEE C#C[C@H]1COCCN1CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1653851831 FJVFWJVQNSIYGA-PACYTGELSA-N 459.549 1.067 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@H]1c1cccc(F)c1 1655631430 GRGUIKFWHFEAJE-OKZBNKHCSA-N 454.524 1.587 30 10 JDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 1661544811 OQQXXIXHZYJSBV-HNNXBMFYSA-N 450.604 1.081 30 10 JDEE C#C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC)C1CCOCC1 1672610302 LVMCXPAQHPFFPD-GOSISDBHSA-N 451.545 1.656 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1689913791 VJAHBPQQZPAGIT-INIZCTEOSA-N 462.551 1.403 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1689978442 VUWZZISFCGGDQB-QUCCMNQESA-N 471.583 1.810 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccnc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1689986665 UUBRIZNAKJGTQS-LJQANCHMSA-N 484.582 1.379 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1COCCO1 1690043652 JALRXQRCFQYMGM-LJQANCHMSA-N 460.538 1.943 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1690132225 LOZFPBCIQYNJPC-QHCPKHFHSA-N 465.646 1.947 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1690141926 FTBMXJQLTHLNEI-XMMPIXPASA-N 463.542 1.818 30 10 JDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690165643 FVGUFPUKIRNONO-UHFFFAOYSA-N 491.639 1.991 30 10 JDEE C=C(Cl)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1690341102 FJHNDEDITIHQAR-UHFFFAOYSA-N 479.994 1.974 30 10 JDEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690424735 YKVCRWODNBJPFL-UHFFFAOYSA-N 485.618 1.995 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1nncn1C 1690484948 HUZCWNQYIUIGPV-HOTGVXAUSA-N 450.569 1.047 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1690655295 NSPLUCZISJDUHK-WOJBJXKFSA-N 457.623 1.907 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1690725643 XHZXTXLKDXQJNF-HTAPYJJXSA-N 464.563 1.993 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(OC)c2)CC1 1690730191 ZOPHFLWASTVIJE-UHFFFAOYSA-N 488.614 1.337 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1690731244 FJQQSMVPPGUWBD-UHFFFAOYSA-N 475.663 1.568 30 10 JDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1696492875 HKOBPHKLSBGEHM-QGZVFWFLSA-N 492.627 1.160 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705563103 QURUTFFAIOHSAV-DENIHFKCSA-N 471.627 1.855 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCCC1 1705598757 QBWAMXXTAXUDKG-HXUWFJFHSA-N 477.631 1.671 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1705641925 ZHANBVINBROHKC-GOSISDBHSA-N 468.549 1.949 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nc(O)c2sccc2n1 1705651705 GARNVTIYKSIRCI-GFCCVEGCSA-N 481.629 1.601 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1705896075 BCOHACXLVSDHLT-QGZVFWFLSA-N 456.547 1.617 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705931760 ZDPYPQJHSRCQRI-JOCHJYFZSA-N 483.642 1.634 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705932737 JJKHZNUOGTZYOD-HNNXBMFYSA-N 471.580 1.203 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1705935703 AQPLNTNEPFBMBX-KKSFZXQISA-N 498.602 1.018 30 10 JDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1)N(C)C 1706808085 GXWDSCZLZQOVNF-OAQYLSRUSA-N 494.644 1.813 30 10 JDEE CCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1708884206 CAJLFPFHHIMMPS-UZLBHIALSA-N 470.571 1.260 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@](F)(C#N)C1 1710884653 FZFOXBORTDZFDG-FQEVSTJZSA-N 464.523 1.787 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2CC(=O)N2CCOCC2)cc1 1712878547 HDWYVZAYQFUHGW-UHFFFAOYSA-N 451.531 1.157 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1722360577 AYLSSGDSPZXATM-IBGZPJMESA-N 484.582 1.679 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1722363008 YJLUCDDZRALTDD-IBGZPJMESA-N 484.582 1.761 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1722432145 UDQNUHDJIVBWDJ-UHFFFAOYSA-N 464.574 1.329 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1722432361 WJLNWDWLVFNTFB-ROUUACIJSA-N 497.666 1.147 30 10 JDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCCCS(C)(=O)=O)CC1 1722439432 BNERGQSLLHSALU-UHFFFAOYSA-N 450.634 1.604 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(N(CC)CC)nc2)CC1 1722440882 LQEZQWVSQKEMRY-UHFFFAOYSA-N 450.591 1.445 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@@H]2CO)CC1 1722582186 MHMSOBUQTOUJQX-VQTJNVASSA-N 451.637 1.820 30 10 JDEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1722629917 PVYAEYBWMOUSBD-MSOLQXFVSA-N 494.593 1.130 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1722685721 KRMUIAWWRHQSBZ-ZWKOTPCHSA-N 451.524 1.514 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2nccnc2C)CC1 1722693248 IABQJVZOAXEMDR-UHFFFAOYSA-N 486.378 1.763 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1722693472 PEBSEEXXDQVCLH-WOJBJXKFSA-N 457.531 1.649 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1722698071 BPMHEMMPUGASLA-LJQANCHMSA-N 472.615 1.426 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCS(=O)(=O)CC2)nnc1C1(c2ccccc2)CCC1 1722737251 YEGGGHMVIOSXFW-UHFFFAOYSA-N 464.613 1.584 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H]1CCSC1 1722750080 JWKRXAYLIKEANO-MRXNPFEDSA-N 470.642 1.891 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1722752175 XSHOTSOXKUEXGO-IBGZPJMESA-N 468.583 1.913 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C)n(C)c2=O)c1 1740562351 IWDXKDOPGJGEEC-FQEVSTJZSA-N 473.537 1.341 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1740581421 XGIWELBICYWRCU-LJQANCHMSA-N 464.574 1.472 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OCCN(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1740622717 HRDRSKINHOOAEW-FQEVSTJZSA-N 495.609 1.351 30 10 JDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1740679637 FKWFJVBVVFLFLW-VWLOTQADSA-N 467.570 1.739 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1740701350 DDDAAFZOQDYFIS-SFHVURJKSA-N 459.572 1.780 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCCOC)CC1 1740701473 INXNJJRWZZMFTM-UHFFFAOYSA-N 463.546 1.313 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCN(C)CCOC)CC1 1740706307 RTNRQEPJACPUAZ-UHFFFAOYSA-N 492.584 1.138 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCS(=O)(=O)CC)CC1 1740708212 GTYDALWMNNNFLH-UHFFFAOYSA-N 482.610 1.751 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C(C)C)N2CCOCC2)CC1 1740708435 POIQXGBREGGSQN-HSZRJFAPSA-N 496.660 1.462 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(O)CCN(C(C)C)CC2)CC1 1740708581 UTWUZOIGHLLTLV-UHFFFAOYSA-N 496.660 1.341 30 10 JDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1740716760 YSDHUHKVQVMBRL-UHFFFAOYSA-N 480.598 1.171 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1740788027 OHOWENBJDBAMFT-GJZGRUSLSA-N 468.546 1.554 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCNC(=O)C1CCC1 1740811650 YBXZDORRBFLLFL-MRXNPFEDSA-N 475.015 1.106 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C(=O)OC(C)(C)C)C1CC1 1740910260 LXONLZXKVILVMB-KRWDZBQOSA-N 484.623 1.633 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1740955579 YNNCUYQUFZALKW-WAIKUNEKSA-N 457.531 1.649 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@@](C)(C(N)=O)C1 1740993780 IPSUYMFTPSQHPZ-HXUWFJFHSA-N 451.524 1.299 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1748665756 USCKTDKIJNEZQH-INIZCTEOSA-N 463.542 1.415 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1748807681 BCTQGHHFKICXSH-MSOLQXFVSA-N 452.964 1.887 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1748807977 FLILPLMCCSFZAX-HKUYNNGSSA-N 492.623 1.402 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C(=O)NCC)cc1)[C@H]1CCS(=O)(=O)C1 1748812184 RPGMXHOPEHBERD-IBGZPJMESA-N 466.567 1.698 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCNS(C)(=O)=O 1748874940 FUVYDDXQRHEXEG-UHFFFAOYSA-N 456.572 1.549 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1748984859 UJHLHBJSNFFNFV-UHFFFAOYSA-N 477.569 1.866 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1749225862 KYXZBICHAYPWBM-IAGOWNOFSA-N 458.567 1.651 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1749655323 HWKRMQVYASFVCC-HOTGVXAUSA-N 471.587 1.895 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1749664318 KEWMILUPIKMTEJ-KRWDZBQOSA-N 478.557 1.654 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](C)(C(=O)NC)C1 1749670733 VEHQMUBNCCJYBB-OSPHWJPCSA-N 489.621 1.657 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CNS(C)(=O)=O)CC1 1749676759 CRJDXNWZVGHDQA-UHFFFAOYSA-N 485.614 1.418 30 10 JDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NC)CC1 1749689251 GEDGIJHZCDEQAU-UHFFFAOYSA-N 452.559 1.976 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)C1 1749690835 VALLVARJIPLMQG-HXUWFJFHSA-N 491.614 1.839 30 10 JDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(S(C)(=O)=O)CC1 1749752034 HLELZFTUOCDOAJ-UHFFFAOYSA-N 453.590 1.938 30 10 JDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C[C@H]1C 1749873216 CNNXVUCHSGGTAY-GOSISDBHSA-N 472.615 1.798 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=C)C)c1 1760128858 VBKKCAVEXYFKRH-IBGZPJMESA-N 472.571 1.243 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(C(=O)NCC)cc1)[C@H]1CCS(=O)(=O)C1 1760183592 BYQHVHOVPJRALM-FQEVSTJZSA-N 478.578 1.765 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](OC)c2ccccc2)CC1 1760270821 BPGRAHJYPILCBZ-NRFANRHFSA-N 464.570 1.754 30 10 JDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760274632 RBYQXXOBDLVOAZ-SFHVURJKSA-N 450.586 1.952 30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCS(C)(=O)=O)CC1 1760384325 SPAAXJPHRJZXRZ-UHFFFAOYSA-N 453.590 1.396 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1760514522 IETMPNOMUQIDAO-UHFFFAOYSA-N 471.537 1.210 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(NC(C)=O)CC1 1760527399 VQFOGLKRTAEDQL-UHFFFAOYSA-N 494.644 1.050 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@H]3OC(=O)O[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760528702 KLXXPBJSBKPVKF-QXSJWSMHSA-N 476.534 1.465 30 10 JDEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)CC1 1760651894 AEPAPVLUKRAPLH-UHFFFAOYSA-N 467.574 1.996 30 10 JDEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 1767693511 AQJIEXZIIYYLCF-UHFFFAOYSA-N 474.587 1.265 30 10 JDEE CCOC(=O)[C@]1(C#N)[C@H](c2ccc(Br)cc2)[C@@H](C(N)=O)N2C=C(C(N)=O)C=C[C@H]21 1775937974 SDLJCMXAPIOJII-QOIOWGMHSA-N 459.300 1.083 30 10 JDEE C=CCN1C(=O)C(NCCc2ccc(S(N)(=O)=O)cc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863593863 RGKHCDBRYAXEPH-UHFFFAOYSA-N 456.480 1.340 30 10 JDEE CC(=O)Oc1ccc(C[C@@H](NC(=O)CCS(C)(=O)=O)C(=O)Nc2cccc(C#N)c2)cc1 1867022974 SHERVMZBZUUHNH-HXUWFJFHSA-N 457.508 1.584 30 10 JDEE C=CCOc1ccccc1OCC(=O)Nc1nc(N2CCC(O)CC2)nn1[C@H]1CCS(=O)(=O)C1 1870062133 LVCKPIGWENHWRC-INIZCTEOSA-N 491.570 1.181 30 10 JDEE C=CCn1cc(OCCCN2C(=O)c3ccccc3C2=O)c(=O)cc1CN1CCN(CCO)CC1 1870376034 WBGGWBBQOUILBA-UHFFFAOYSA-N 480.565 1.209 30 10 JDEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CNc1cc(OC)c(OC)c(OC)c1 1870961797 GZFOWACHPCQBHU-UHFFFAOYSA-N 461.515 1.814 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)C[C@H]3CSc4ncc(C)c(=O)n43)CC2)CC1 1889412668 UBOZULCRTNTHMA-FQEVSTJZSA-N 473.643 1.237 30 10 JDEE C=CCC1(NC(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C[C@H]2O)CN(C(=O)OC(C)(C)C)C1 2076778282 KQRGCYCMKSGWIU-QRQCRPRQSA-N 455.552 1.401 30 10 JDEE CC(C)(C)OC(=O)NCc1nc(=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)s[nH]1 2255635491 ZVPJOBVAKQXFAK-UHFFFAOYSA-N 467.382 1.993 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NC(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2267175774 QEPFSRJDJIYGKF-YPENRWOSSA-N 465.381 1.997 30 10 JDEE CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)(C(=O)O)C1 2267371750 FIQIMTFWGIRSJW-UHFFFAOYSA-N 488.393 1.400 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267376907 BZRASMYTZQAEDP-KOMQPUFPSA-N 467.397 1.962 30 10 JDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H]2CNCCN2Cc2ccccc2)OC1(C)C 2267469782 ZWCRAHGVWKUAQQ-SFHVURJKSA-N 477.461 1.800 30 10 JDEE CN(CC[S@](C)(=O)=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C(=O)OC(C)(C)C 2267548961 WEQBOSBFQABJAJ-YTTGMZPUSA-N 470.401 1.824 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2267558175 YCMZIEYGZUPBPP-OFQRWUPVSA-N 468.381 1.118 30 10 JDEE Cc1c(C(=O)N[C@@]2(CO)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281991941 HPVHJVICBZOGTF-QFIPXVFZSA-N 464.372 1.129 30 10 JDEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282619758 VVEDZRALAZTPMZ-FQEVSTJZSA-N 451.380 1.322 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@]2(CCN2C(=O)OC(C)(C)C)C1 2282864868 MFBIPUAWJDPFAQ-NRFANRHFSA-N 482.412 1.493 30 10 JDEE Cc1nc(S(=O)(=O)N[C@H](CNC(=O)OC(C)(C)C)C(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282881247 USZUIZKMDODIQU-OAHLLOKOSA-N 486.444 1.855 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2313849070 JOGCXKLDUPMDQU-BARDWOONSA-N 458.386 1.475 30 10 JDEE C=CCn1cc(C(=O)N(C)CC(OC)OC)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21 20240474 UYXOKPWUHHDUDF-UHFFFAOYSA-N 465.572 1.909 30 10 JDEE COc1cccc(/C=N/Nc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@H](O)COc2ccc(C)cc2)c1 33935205 KOSSMTQJDVDRKY-NPSPNJCMSA-N 492.536 1.637 30 10 JDEE Cc1ccc(S(=O)(=O)O[C@H]2[C@H](O)[C@H](OS(=O)(=O)c3ccc(C)cc3)[C@@H]3OC[C@H]2O3)cc1 106381147 NJSSICCENMLTKO-UJMXGEILSA-N 470.521 1.267 30 10 JDEE COC(=O)Cc1ccc(N2CC(=O)C(c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)=C2N)cc1 170178829 SOBILJLMICXFLF-UHFFFAOYSA-N 460.538 1.747 30 10 JDEE CON[N+](=O)CC(=O)N1CCCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 585088919 KZGTUYOHMAZYDJ-NRFANRHFSA-N 463.536 1.770 30 10 JDEE C#CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1)C1CCN(C)CC1 1156647573 STRKJQNGWCTFNE-SFHVURJKSA-N 453.992 1.967 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CC1 1157009206 ILNCPNMIKHLIMC-FQEVSTJZSA-N 453.370 1.260 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCNS(=O)(=O)c2cc(C)sc2C)c1 1211085208 PUDVSWBBSGQAOD-UHFFFAOYSA-N 457.599 1.538 30 10 JDEE C#CC[C@@H](COC)NC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1227748517 AQUKEPJDZZVJCZ-CVEARBPZSA-N 458.378 1.940 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1Cl)N(C)C 1286376275 IQXNUBDEPOEVSQ-RTBURBONSA-N 481.022 1.637 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286383546 XRSPUHPAQLLCDU-GUDVDZBRSA-N 486.598 1.757 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1286389414 JQOJIUBOGJUNCA-IBGZPJMESA-N 451.556 1.698 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC1(CS(C)(=O)=O)CC1 1286430085 JNAAXAJOMAILNW-UHFFFAOYSA-N 450.568 1.804 30 10 JDEE C#CCSCCn1c(N2CCC(CN3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1286513212 RQMOGJAJGHTAPY-HSZRJFAPSA-N 463.648 1.845 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1286520179 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C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1286822385 JJPMRTMOXQIZFU-IBGZPJMESA-N 474.631 1.554 30 10 JDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(C)O)CC1 1295335632 DJDVEYQSTCWBLR-UHFFFAOYSA-N 453.591 1.968 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nnc(C)s2)C1 1296329183 HSFGQVNJVYDLPM-KRWDZBQOSA-N 472.600 1.737 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCN(CCN(C)C)CC1 1300305550 WVJHVARNGHEKLY-IBGZPJMESA-N 476.629 1.924 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1300491362 HJWIHVLTWFCCCR-IRXDYDNUSA-N 476.603 1.363 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1N1CCCC1 1300631943 YNHIBOTTXXRXAE-NRFANRHFSA-N 490.605 1.858 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCn2ccnc2C)CC1 1300700703 UVDOVKBCPTVIIY-NRFANRHFSA-N 498.632 1.937 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCS(=O)(=O)c2ccccc2)CC1 1300711288 WPSPELWBPBMJDC-UNMCSNQZSA-N 487.626 1.621 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSc2ccccc2)CC1 1300727295 WAJLZPUXMCYDHE-LJQANCHMSA-N 487.651 1.938 30 10 JDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300742694 RVVAWDHDGYKCIQ-SFHVURJKSA-N 461.555 1.715 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1cc(C)oc1C 1300805805 IPWZLNLSDZBPOB-PTUXOGIPSA-N 491.614 1.721 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1300888730 LPFXWUBDWKMXLC-KLBVCGFUSA-N 495.646 1.948 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccco2)C1 1301257970 ICVWKDBDRWXHHJ-MJGOQNOKSA-N 465.576 1.791 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1301484014 ZKPFKOVBZWAWDF-UHFFFAOYSA-N 476.541 1.076 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(OC)CCCCC2)C1 1301555540 CMESPUKUBBPIAQ-OALUTQOASA-N 483.635 1.742 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 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C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358968026 XYDBQCNQFOJUKO-QAETUUGQSA-N 494.536 1.596 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CCS(=O)(=O)C1 1358987745 QNCJBZUHAKRBQS-HXUWFJFHSA-N 495.374 1.859 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1359023336 HLXYYVLIOBXRNW-LLVKDONJSA-N 459.860 1.769 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCn2ccnc2C)CC1 1359031079 OZUOGQGHNATYNR-UHFFFAOYSA-N 465.558 1.931 30 10 JDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCNC(=O)c2cc[nH]n2)CC1 1359039691 RVVRGUOQIKACJX-UHFFFAOYSA-N 480.598 1.487 30 10 JDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1359056997 PURMRBCPEKJBAW-FQEVSTJZSA-N 488.658 1.479 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359303469 PMYNZEYSIYLTTG-UHFFFAOYSA-N 453.591 1.949 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1359331646 DZOIEAWTQRUBGU-JKSUJKDBSA-N 465.542 1.846 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1359333923 OFNXBMAPBPUBNW-UHFFFAOYSA-N 484.557 1.857 30 10 JDEE CN(C)C(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@](C)(C#N)C1 1503371456 GUSHZLHOQKILNE-NRFANRHFSA-N 459.576 1.414 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(Cc2ccccc2)c1 1507539330 USPJLLQPNZAPQA-GHTZIAJQSA-N 483.598 1.362 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1507623815 XNBKXPBPUJZCFG-LJQANCHMSA-N 496.597 1.434 30 10 JDEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1507631329 CSTMTYRVUSKKGT-FQEVSTJZSA-N 487.630 1.504 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@H](c1ccco1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1507638751 SMZSWWUFPHYKTP-RBUKOAKNSA-N 461.588 1.871 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1507642357 JEJRQDMHMLNOBN-HZPDHXFCSA-N 452.581 1.217 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNS(=O)(=O)Cc1ccon1 1507668995 PWRUKEXZQPTFEQ-UHFFFAOYSA-N 496.549 1.287 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2CC2(O)CCS(=O)(=O)CC2)n1 1507717781 YAFGNTDUPFBWHY-UHFFFAOYSA-N 492.646 1.289 30 10 JDEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCN2CCCS2(=O)=O)CC1 1507718970 IRJCYHVVJHRUHE-OAQYLSRUSA-N 456.616 1.611 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1507721155 ZHNBOARAFWZYGY-RUZDIDTESA-N 466.586 1.436 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(F)cn2)CC1 1507729925 LFXIUFVEKNLTGI-HXUWFJFHSA-N 485.564 1.924 30 10 JDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507841441 ZZJLQOQQUMXTLS-KNQAVFIVSA-N 453.591 1.922 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1507843718 RKQRBDAJPPDCTA-SFHVURJKSA-N 453.551 1.062 30 10 JDEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1507896209 IAYUSZHYDZWVQK-NHCUHLMSSA-N 454.593 1.271 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1508071742 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C=C(C)C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O)C(=O)OC 1624256217 GJVCKDDITUFZPH-LIRRHRJNSA-N 452.305 1.840 30 10 JDEE N#Cc1cn(CCC(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c(=O)nc1O 1624474146 FRCXTIZGWGMNDI-UHFFFAOYSA-N 450.282 1.502 30 10 JDEE C#C[C@H]1COCCN1C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1665579295 TXIPHNVLTBNDJY-KRWDZBQOSA-N 450.561 1.420 30 10 JDEE C#CCN(C(=O)NCCCN1CCN(c2ccccc2Cl)CC1)[C@H]1CCS(=O)(=O)C1 1683159798 NSJDKJSTWOUPBM-SFHVURJKSA-N 453.008 1.684 30 10 JDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1689881498 RZIGJSFNMYLYHA-HXUWFJFHSA-N 464.555 1.351 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689982377 LOSJAJYDAPWLCB-NRFANRHFSA-N 487.626 1.693 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(OC)c(O)c1)[C@H]1CCS(=O)(=O)C1 1689986750 WLSLXEFWQUMREZ-KRWDZBQOSA-N 455.540 1.673 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1689997116 WDCAGZCMSJEVQV-ONTIZHBOSA-N 499.593 1.407 30 10 JDEE 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C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCOC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1740619309 HOIQSFDWHWEBEG-UNMCSNQZSA-N 483.594 1.887 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1740623316 RFEDMDMPGAHNIM-VQIMIIECSA-N 473.574 1.973 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](c1cccnc1)C(C)C)[C@H]1CCS(=O)(=O)C1 1740625095 NRZGXNDHDFTIIY-SFTDATJTSA-N 484.626 1.862 30 10 JDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1740626896 NVUIEOZILPLEPA-PXNSSMCTSA-N 460.556 1.580 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCN1CCOCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1740627126 YKHMPJMYCMOJLK-HXUWFJFHSA-N 472.615 1.001 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(CN3CCCC3=O)cc2)CC1 1740688504 GKVISKRQGMKERK-UHFFFAOYSA-N 463.586 1.342 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCS(=O)(=O)C(C)(C)C)CC1 1740708671 YBUSAFRMFLADMS-UHFFFAOYSA-N 489.646 1.319 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)nn(C)c1C 1740731758 HCAFROZCEJMOES-WIYYLYMNSA-N 461.592 1.002 30 10 JDEE C=C(Br)Cn1c(CC)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1740745686 BDDGAYBLJOLUQQ-UHFFFAOYSA-N 450.403 1.626 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNC(=O)c2cccc(OC)c2)CC1 1740832505 FBSQQNPKNMLWIP-INIZCTEOSA-N 476.603 1.729 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2CCC[C@H]21 1740953413 FOKCLLGKYYGYHJ-VQIMIIECSA-N 458.588 1.876 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)c2ccco2)CC1 1740953909 VLNDWSSLCBFNCL-UHFFFAOYSA-N 488.346 1.893 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740954392 LDSOZDFBIINBJU-DJIMGWMZSA-N 473.599 1.794 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1740962041 QAMYCQPVHXEDSM-UHFFFAOYSA-N 479.610 1.960 30 10 JDEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1746433783 HSXBVIVKXREFHD-ICSRJNTNSA-N 487.630 1.103 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1c(OC)cc(OC)cc1OC 1748670564 AHCKFYQJDHLLQL-JKSUJKDBSA-N 462.572 1.907 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C(CC)CC)N(C)C)[C@H]1CCS(=O)(=O)C1 1748817640 NLHADCNWEZFMGW-HSALFYBXSA-N 499.703 1.173 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748819639 QVCMSIFEIUKIPK-QGZVFWFLSA-N 463.554 1.870 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1748824164 KGMBEADAHOTRQG-QFBILLFUSA-N 496.536 1.917 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1748847924 YMZXPNCJGSIUKU-VQTJNVASSA-N 471.583 1.228 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCS(=O)(=O)C(C)(C)C)CC1 1748993247 RYVRDRJSBNSNDV-UHFFFAOYSA-N 459.616 1.846 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1749158746 LNXWESOZNWPQJI-OALUTQOASA-N 466.652 1.525 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1749529543 HKVKRPZXOLBKQQ-LJQANCHMSA-N 476.599 1.923 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@H](c2ccccc2)C1 1749650614 CKLZVWZLNAYCIM-WMZOPIPTSA-N 462.576 1.159 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@H](C)C1 1749670861 WTSPJIPMLNGTTH-HZPDHXFCSA-N 466.608 1.830 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1749680786 QYPSFMBRNJFNCF-OAQYLSRUSA-N 463.535 1.313 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)nnc1C(C)(C)C 1749740268 TUXCDNGPVNRXDG-PMACEKPBSA-N 494.706 1.993 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCc2ccccc21 1750075737 HMBVSEUZHLAAJZ-GHTZIAJQSA-N 487.630 1.660 30 10 JDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCN(C(C)=O)CC1 1760178853 CLSZZGXJDUKSNW-KDURUIRLSA-N 459.595 1.282 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1760182778 MCNUKKKYKPOYMK-IBGZPJMESA-N 496.597 1.456 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1760190457 WOCIRJCJWWSAOI-SFHVURJKSA-N 452.540 1.831 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](N1CCOCC1)C(F)(F)F 1760201782 JGXMPQYVSKBUKP-SFHVURJKSA-N 485.470 1.930 30 10 JDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(C)(C)OCC)CC1 1760260467 TVOMQGYJDNSIOC-UHFFFAOYSA-N 459.620 1.809 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2cccn(CC)c2=O)CC1 1760264086 AZWWDOGLJKKUCV-UHFFFAOYSA-N 462.554 1.851 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccc(C)cc2)CC1 1760268986 UJYHHPPTOKFKLM-NQIIRXRSSA-N 464.570 1.971 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2ccc(C)cc2)CC1 1760269327 FKXMTIZOMDVHEW-JOCHJYFZSA-N 478.597 1.876 30 10 JDEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCS(=O)(=O)C1 1760490810 KGBPTEATHSBTNE-INIZCTEOSA-N 450.586 1.962 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2oc(CC)nc2C)C1 1760544354 YFCROTNUHMVDRT-WMZOPIPTSA-N 480.591 1.299 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC=CCC1 1760553869 KJKZCDPDNQHCBG-UHFFFAOYSA-N 450.590 1.605 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760555954 RBXOGTLRUFJLKB-NQIIRXRSSA-N 478.663 1.525 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H](C)C1 1760618874 JALUIGVOMXLYFZ-GBWQBGJGSA-N 497.531 1.580 30 10 JDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCS2(=O)=O)C1 1760639975 FZIGLRMCFIGDRV-UXHICEINSA-N 456.572 1.889 30 10 JDEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1764870235 HAUPBSGKMBYOPG-NRFANRHFSA-N 467.574 1.807 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C2(c3ccc4c(c3)OCCO4)CC2)CC1 1858492735 JVXLUCKFDVIUJF-UHFFFAOYSA-N 453.520 1.894 30 10 JDEE C=CCOc1ccccc1OCC(=O)Nc1nc(N2CCCC2)nn1[C@H]1CCS(=O)(=O)C1 1869971412 GXEQCHKZVVZMSR-INIZCTEOSA-N 461.544 1.820 30 10 JDEE C=CCn1cc(OCC(=O)NCCc2ccc(OC)cc2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870643472 RCXZUCIXGTXMFO-UHFFFAOYSA-N 482.581 1.478 30 10 JDEE CN(CC#CCNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1Cc1ccccc1)Cc1ccccc1 1891589671 SPUOXHJTTNIIQR-UHFFFAOYSA-N 483.572 1.952 30 10 JDEE CCCCCCCCC/C=C/CC/C=C/[C@H](O)[C@H](N)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2037834364 HWRVJNPAUIAOKZ-GDUDXUOGSA-N 459.624 1.524 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CO1 2247880628 INPXNVGPOBHRAE-CYBMUJFWSA-N 460.383 1.877 30 10 JDEE C[C@H](O)CN(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C(=O)OC(C)(C)C 2255639611 QKPRHCDXCNSNHR-ZDUSSCGKSA-N 455.386 1.790 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255752644 KSLJZMUZSBFUGL-STQMWFEESA-N 474.410 1.618 30 10 JDEE CN(C[C@@H](O)CN(C)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255844100 QLBXJAUGIPWHHX-ZDUSSCGKSA-N 455.386 1.742 30 10 JDEE Cn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)nc1B1OC(C)(C)C(C)(C)O1 2267187795 CXMBQCOETUNUIZ-KGLIPLIRSA-N 452.336 1.797 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2267372839 UWXBUKMWUHCIAL-ZUOKHONESA-N 468.385 1.007 30 10 JDEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267715940 FSNFWKMUEOIONN-ZIAGYGMSSA-N 470.401 1.396 30 10 JDEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)CNC(=O)CNC(=O)OC(C)(C)C 2268651630 QAEPDAZVINVDAF-UHFFFAOYSA-N 467.397 1.647 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2281930139 IIHMYWIDSHVFJA-FPTDNZKUSA-N 462.356 1.465 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]2(O)CCCN(Cc3ccccc3)C2)n1 2282047778 CJDAQOJPCBVGNA-XMMPIXPASA-N 454.380 1.476 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 2282856037 MSPNZVUIPGYWRM-HSZRJFAPSA-N 474.436 1.910 30 10 JDEE Cn1cc(C(=O)N[C@]23CO[C@H](C2)[C@H](NC(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2359277988 MZFWAPARLQZEOD-QCPUYCGNSA-N 462.356 1.274 30 10 JDEE C=CCC[C@@H](O)CN1CCN(Cc2nc(C(=O)N3CCC[C@@H](C(=O)N(CC)CC)C3)co2)CC1 34677688 PQSKJMKNTZWTNP-NHCUHLMSSA-N 475.634 1.840 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCC2(N3CCCC3)CCOCC2)CC1 519209664 XBFMJZYBHJRBGS-UHFFFAOYSA-N 461.588 1.219 30 10 JDEE COc1ccc(/C=C/C(=O)[C@@H]2C[C@@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)cc1OC 585823997 DHKZUUMLSDQNHF-HOUBKHITSA-N 477.517 1.819 30 10 JDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cc2ccc(S(=O)(=O)CC)cc2)c1 728237799 GNJHRDLLGOAJLA-UHFFFAOYSA-N 454.548 1.896 30 10 JDEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)N3CCN(c4cc(C#N)ccn4)CC3)cn2)C[C@H](C)O1 1215574125 GESVWDQHFRBZHQ-IRXDYDNUSA-N 452.519 1.140 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1286338509 CGMHNUIWRCSHKM-OAQYLSRUSA-N 483.598 1.920 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1286393329 KCPLUANSRNVJPS-PZJWPPBQSA-N 487.601 1.893 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCS(=O)(=O)C1 1286460020 SPVDILKABVBVOZ-HNNXBMFYSA-N 484.420 1.957 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1286493171 LTSWRELQOJLYIA-GOSISDBHSA-N 460.579 1.615 30 10 JDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286592491 IGVVYNUNYYQPLV-MRXNPFEDSA-N 489.577 1.683 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1286786315 QWTVDZPOGYPPCW-GOSISDBHSA-N 457.966 1.507 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)=O)CC1 1286798887 MXESOQJHXGTTHQ-IBGZPJMESA-N 473.599 1.898 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1286824573 FJIMNIVNSQINSZ-MRUHUIDDSA-N 467.592 1.834 30 10 JDEE C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1)N(C)C1CC1 1288651201 FWKRSTZKBSVCRW-PLMTUMEDSA-N 465.624 1.224 30 10 JDEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCN(C)S(=O)(=O)CC)CCOC1 1296619764 FFHHSGOTHOGNSV-LEWJYISDSA-N 468.624 1.732 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1300390855 BEVPBQMALPMEOX-SFHVURJKSA-N 471.587 1.165 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1300483749 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C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNC(=O)OC(C)(C)C)C1 1301557475 PHQZVESGFOGOEL-DLBZAZTESA-N 469.608 1.876 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)s2)C1 1301558755 YETFTBSJHDFIIE-SJLPKXTDSA-N 467.617 1.811 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1301567394 WBBBAVVXMKWEMM-HSZRJFAPSA-N 479.585 1.674 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H]3OCCC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1301596332 LTYHRYJSCZWROE-XQBPLPMBSA-N 468.620 1.925 30 10 JDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CCn1cc(Br)cn1 1301799268 BKQRSUMIUBLKNH-UHFFFAOYSA-N 465.356 1.540 30 10 JDEE CC(C)C(=O)NCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1302469023 HFWNVIYLDUXXSO-UHFFFAOYSA-N 459.558 1.629 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](SC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358954903 AGGYXYSZWNUMIP-SJORKVTESA-N 467.661 1.919 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1358965243 QRTMEDDWJVFDRY-LJQANCHMSA-N 490.655 1.663 30 10 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471.587 1.752 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1540904659 OGKRFFIDGVWWRJ-ROUUACIJSA-N 462.528 1.592 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@](C)(CC)C1 1540907314 RZVLTQBHCXWOMP-HXUWFJFHSA-N 467.617 1.876 30 10 JDEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1555428960 HWEYFHGMUBQNPV-NWVWQQAFSA-N 471.558 1.900 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)CC1 1562335830 YYQWEPAICKXGKE-UHFFFAOYSA-N 456.524 1.661 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCC2(O)CCOCC2)c1 1587683777 NWELLQSNGWPYTE-UHFFFAOYSA-N 468.558 1.404 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(COC)cc1)[C@H]1CCS(=O)(=O)C1 1588069536 QCBNIUGOMSJOPC-QFIPXVFZSA-N 482.610 1.961 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(C(C)(C)C)s1 1588233623 MJIYHUVFKCQYIN-INIZCTEOSA-N 491.643 1.271 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN(C(C)C)C(C)C)CC1 1588929665 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C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC12CCOCC2 1540171204 WSOFFAAAFIMDAL-ROUUACIJSA-N 451.593 1.606 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1540869657 TXOBLPYBQJGPPX-KRWDZBQOSA-N 471.949 1.147 30 10 JDEE C=CCNC(=O)Cn1c(N2CCCN(c3ncccc3F)CC2)nnc1[C@@]1(OCC)CCOC1 1540876189 JXUIPLDIXRHIIO-HSZRJFAPSA-N 473.553 1.483 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCS(=O)(=O)CC1 1540898336 HINJTOCXWGTOTI-UHFFFAOYSA-N 489.417 1.543 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1540899176 GFHKFAZVIIQCKC-UHFFFAOYSA-N 466.571 1.478 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCOC1=O 1541115582 BNWMESQGGDMEQE-KRWDZBQOSA-N 453.551 1.890 30 10 JDEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)CC1 1555812622 FNASSEKKUIZMHO-UHFFFAOYSA-N 455.548 1.017 30 10 JDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1587847293 IFNLMLFEQJTZBR-UHFFFAOYSA-N 469.571 1.170 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1588055760 ZAGXYNFIEKLCBA-NJYVYQBISA-N 463.648 1.777 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1588070272 XVCROULOGQENDW-SFHVURJKSA-N 489.989 1.819 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccc(C)cc1 1588140366 VZRZFZVXYGOOBV-FPOVZHCZSA-N 455.584 1.796 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)N(C)C 1588472690 HXADEUJDJHNQSB-UHFFFAOYSA-N 462.551 1.184 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(OC)nc2)CC1 1588891723 SMJMOAKZHNQPTJ-XMMPIXPASA-N 468.558 1.348 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCOCC)CC1 1588923834 NKPZNGQOGMLDJC-UHFFFAOYSA-N 463.542 1.986 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1589493560 HXLWGHRKQUCAME-CMXRIWHBSA-N 483.635 1.644 30 10 JDEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1594477426 DYLPMXDSPFNNSH-UHFFFAOYSA-N 465.562 1.409 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1595477028 PYXDOIVIKVFZFQ-QWHCGFSZSA-N 456.519 1.666 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(C(=O)NC)CC1 1595496705 FBCCTRZRGODAJS-OAHLLOKOSA-N 457.604 1.895 30 10 JDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1595569530 IQKJDZHBQOIMHQ-GOSISDBHSA-N 454.579 1.711 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@@H](C)C1 1595658858 LSCFDGQTUNOLGZ-AZUAARDMSA-N 454.575 1.999 30 10 JDEE COc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1619448881 FGNLLFFIYXFYMX-VXKWHMMOSA-N 475.571 1.545 30 10 JDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 1627156687 GZNLDQXEHWNKOG-UWJYYQICSA-N 454.552 1.575 30 10 JDEE C=C(C)C[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1650972155 KWGZNNYPWDSHLJ-LLVKDONJSA-N 452.314 1.598 30 10 JDEE CC(=O)N1CCN(CCOc2ccc(CCNS(=O)(=O)c3cncc(C#N)c3)cc2)CC1 1661305120 HWZNTOWNYAJFKB-UHFFFAOYSA-N 457.556 1.017 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Br)c(OC(C)C)c2)CC1 1672364889 QYRFBYAFMMVGEB-UHFFFAOYSA-N 459.366 1.853 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1689982597 QMKUOGUOHFLQAS-DXIQSLLYSA-N 466.604 1.515 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689997142 WRGCDXXJCBPWHS-IEBWSBKVSA-N 456.572 1.306 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCN(C)C1 1690093549 CCHHTWXOHUXWRL-QFIPXVFZSA-N 460.966 1.014 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@@](=O)CC 1690104177 OUGIAFHVTXYHOW-IQVDJAOASA-N 469.608 1.441 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1690155542 LAPYECKDUPXQJS-IAGOWNOFSA-N 478.648 1.150 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCCOC)C1 1690247116 ZZMVEGVQDVZFQB-WTGUMLROSA-N 468.620 1.793 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 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C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1705569724 JSRXLZZXLJAHIL-MOPGFXCFSA-N 462.645 1.745 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1705569735 GHDXQKYWCFDWEJ-PMACEKPBSA-N 479.002 1.955 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCn1cc([C@H]2CCOC2)cn1)[C@H]1CCS(=O)(=O)C1 1705571026 UOYAHCDNKXTMNH-ICSRJNTNSA-N 460.604 1.504 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1c(O)nc2ccccc21 1705590065 ZYRBPDCVAAUYDK-INIZCTEOSA-N 455.544 1.107 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1705725824 UEBPMLGYVWKWJZ-FQEVSTJZSA-N 478.594 1.648 30 10 JDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1705811249 BDOHLSVBCBNGLZ-GDBMZVCRSA-N 465.576 1.925 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1705927792 GOAAXDGGLBULIL-KRWDZBQOSA-N 483.635 1.572 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1scnc1C 1705930763 VHMZICQLPJNTCB-UHFFFAOYSA-N 461.573 1.928 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc2C1 1706069766 HHWVRXHJILBHAG-QZTJIDSGSA-N 459.620 1.933 30 10 JDEE Cc1nc2ccccc2n1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1707774130 HSNZWKNCUMKDTG-JLTOFOAXSA-N 460.539 1.689 30 10 JDEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1709997683 HNCAALDQFOVLBR-SANMLTNESA-N 494.644 1.264 30 10 JDEE CN(C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)CCOCC1 1711001168 BOCCFUXZXJGPBG-FXAWDEMLSA-N 450.609 1.421 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(CC)CC)nc1 1722296001 MSJLHLXENDRAJE-PKOBYXMFSA-N 475.619 1.358 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C[C@@H]1CCOC1)C1CC1 1722316838 NCOTUYMLJPBNEI-PKOBYXMFSA-N 451.593 1.420 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(F)(F)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722368296 PIMITMOOSBFQPS-IRXDYDNUSA-N 463.510 1.648 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1722368506 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NQKXCJTWGNSVAQ-GFCCVEGCSA-N 465.739 1.607 30 10 JDEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCNS(C)(=O)=O 1722638592 HEKUIXUQFGOKFN-UHFFFAOYSA-N 459.576 1.797 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N(C)CCC(=O)NC 1722723877 HNPRUPFRXNZFOO-UHFFFAOYSA-N 470.393 1.881 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1722737263 YMXBAHIIGRUTCT-UHFFFAOYSA-N 460.608 1.837 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)N(C)C)C[C@H]2C)CC1 1722797864 HEZIYQAVBWFDDY-XMSQKQJNSA-N 478.601 1.284 30 10 JDEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1723089180 BPKBFLOZTBAMHO-UXHICEINSA-N 465.558 1.748 30 10 JDEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)C1 1728170202 APSCBVNJCRSGCF-GOSISDBHSA-N 459.576 1.109 30 10 JDEE COc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)cc(OC)c1OC 1729990587 FICPEDGRZHELJT-GDBMZVCRSA-N 463.560 1.993 30 10 JDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 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30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1301458048 MBDONUXYVABBMO-QGZVFWFLSA-N 494.643 1.566 30 10 JDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1301520128 UKMHVYGEKAEXKO-HXUWFJFHSA-N 467.574 1.044 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1301537438 ARLGDGUSEHVKDL-GSHUGGBRSA-N 480.562 1.888 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1301578497 CHKKELWHBXKHFN-UHFFFAOYSA-N 480.550 1.673 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccco1 1301589888 ZHABQYMYGFPYEM-JKSUJKDBSA-N 454.574 1.716 30 10 JDEE CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1301889934 CQVVCFNCBLBEIO-HXUWFJFHSA-N 486.598 1.516 30 10 JDEE CC(C)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)N1CCCCC1 1302340397 CQUNDLSPOXIIMS-UWJYYQICSA-N 483.614 1.317 30 10 JDEE COC(=O)c1cn(C2CCN(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)nn1 1312485096 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C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2CCN(C(=O)OC)CC2)CC1 1507720169 SKOUKSFCIJNIQN-QHCPKHFHSA-N 460.579 1.164 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2=CCCCC2)CC1 1507729125 DZAOPUPBGXVWEU-HXUWFJFHSA-N 462.620 1.257 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(C(N)=O)c2)CC1 1507738459 PLAPSIUEGMQIGV-UHFFFAOYSA-N 457.538 1.762 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCCCC2)CC1 1507739550 RFPIESPIBOGSMJ-TZIWHRDSSA-N 490.674 1.268 30 10 JDEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C)C(=O)[C@H]1C 1507836833 AZBPQPSZVZTOMO-QGZVFWFLSA-N 475.619 1.806 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1508073183 JCDYTJOQBWCKJA-GFCCVEGCSA-N 492.499 1.985 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cnn(C)c2)CC1 1508073605 OJYWRJWEOWDBIU-UHFFFAOYSA-N 451.491 1.216 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccsc1 1508094019 XGRRYJMKINDELU-DLBZAZTESA-N 480.616 1.316 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCOCC3)cc2)C1 1508109800 ONZUKGNSNCSMTB-RXVVDRJESA-N 490.630 1.555 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N 1508145646 NYMJKDPYCMGJLM-SJORKVTESA-N 482.607 1.926 30 10 JDEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](C)(C(N)=O)C1 1508156338 WDBJGMCJWLELOI-FQEVSTJZSA-N 463.633 1.859 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1508160712 HYNFWBNEUMWYQO-BZSNNMDCSA-N 472.681 1.449 30 10 JDEE CC(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1 1508257513 XQIVVDRYSADPMD-LSJZCYCUSA-N 481.532 1.591 30 10 JDEE CC(C)(C)S(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1508688857 HZNMBLQKDFAWSE-HXUWFJFHSA-N 499.641 1.636 30 10 JDEE CN(C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1517005352 FMCZBYQGHNQUFJ-UHFFFAOYSA-N 459.620 1.876 30 10 JDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539132758 BEXWXSYYRBIQIJ-UHFFFAOYSA-N 463.542 1.716 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1539225413 NPSXUBJRRWGPMW-RTWAWAEBSA-N 456.616 1.765 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1539230050 JWFQURKLIKRCEZ-NRFANRHFSA-N 482.610 1.841 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1539416911 UXIORYNCQKTCSJ-GOSISDBHSA-N 455.544 1.100 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1539428087 MWGYOSFCJISNGQ-OAQYLSRUSA-N 499.641 1.326 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1539428658 VKDSNRJMLJQYPZ-HXUWFJFHSA-N 463.586 1.817 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCOCCCO)CC1 1539437874 IQQOVPXJWPPLLK-UHFFFAOYSA-N 454.394 1.923 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(O)CCOCC2)CC1 1539462003 AHVQJQGFXUFRRM-KDURUIRLSA-N 474.606 1.346 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1540871230 HFFUCPGKESDPJD-KSSFIOAISA-N 498.556 1.389 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1540898715 SDAGHSMCEJDMTA-INIZCTEOSA-N 477.587 1.526 30 10 JDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1547239257 FYHKHMZDIVEOMZ-UHFFFAOYSA-N 480.573 1.307 30 10 JDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCS(=O)(=O)Cc2ccccc2)CCOC1 1547917695 BIJGWSHIVVPKEQ-NFBKMPQASA-N 489.598 1.664 30 10 JDEE CNC(=O)[C@H]1CN(C(=O)C2=NNC(=O)CC2)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375114 APTRURVIZRFOET-QGZVFWFLSA-N 490.486 1.634 30 10 JDEE Cn1ccc(Nc2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)n1 1554344324 IDASQQSQGITTAN-MRXNPFEDSA-N 456.532 1.630 30 10 JDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1554542099 AEVPSLLKCWFARQ-QZTJIDSGSA-N 488.570 1.152 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(SC)c1 1587637999 AACRMQFKGFRJBL-HOCLYGCPSA-N 450.590 1.234 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSc2ccccc21 1587640320 QQBQRVMVRDILLH-XYJFISCASA-N 461.613 1.958 30 10 JDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1587847799 SEVANUYJALXCKG-MRXNPFEDSA-N 450.524 1.634 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OC)nc1OC)[C@H]1CCS(=O)(=O)C1 1588045295 JBXHCVUPWJHBEP-FQEVSTJZSA-N 492.561 1.904 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccnc1)C(C)C 1588139180 MZISMWHUGVFCOS-NHCUHLMSSA-N 470.599 1.519 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccc(C)n(C)c1=O 1588158527 FVVNTFVRAZBBQE-UHFFFAOYSA-N 483.620 1.771 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)CCCN2C 1588384945 DLRDMVFZMMRUTB-NRFANRHFSA-N 472.615 1.501 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1588629039 URPOVAXUZFTGRC-UHFFFAOYSA-N 451.531 1.050 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(C(C)(C)C)no2)CC1 1588876774 IPKMJJGSECKBKB-UHFFFAOYSA-N 467.574 1.814 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCCN2CCC(O)CC2)CC1 1588947067 KVQNPYGHXJRXGR-UHFFFAOYSA-N 494.640 1.690 30 10 JDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1589481860 CXGKBRPSJFHTJO-RYRKJORJSA-N 497.438 1.700 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1589528050 CKTNBZYVFAGVJM-VQIMIIECSA-N 461.592 1.624 30 10 JDEE C=CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1594566767 JYEQSXVMCLREBY-UHFFFAOYSA-N 473.622 1.824 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1595507119 XFJXRSFSYNSLOG-IBGZPJMESA-N 481.557 1.675 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCCS2(=O)=O)C1 1595752629 BYEFDNYORKDQIB-VJANTYMQSA-N 454.593 1.751 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1csc(C)n1 1595760161 KZPRXUCUAVISLU-CZUORRHYSA-N 488.661 1.596 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1595766671 VSEQPOYGXQRUSB-GOSISDBHSA-N 477.587 1.668 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CC(=O)NC)CC1 1595773083 PLZVHWWKMDGWGP-UHFFFAOYSA-N 466.995 1.947 30 10 JDEE CN(C)CC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1617677659 HFUHLMKAWVVAJT-MRXNPFEDSA-N 450.547 1.509 30 10 JDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNc2nccc(C(F)(F)F)n2)C1 1620346505 BZCRQUMHUFQLAE-PIGZYNQJSA-N 453.404 1.592 30 10 JDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)CC1 1628596633 DIZVMWSANBUBPN-KRWDZBQOSA-N 459.348 1.553 30 10 JDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N(CCO)Cc2ccc(Br)s2)c1 1650991569 BNLFJSWJGSGXDS-UHFFFAOYSA-N 458.359 1.682 30 10 JDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1689878646 QAFOYNUOJUANAV-IBGZPJMESA-N 485.614 1.555 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCOCCCO)[C@@H]1CCS(=O)(=O)C1 1689983041 ZKOSLHNDKJIVRX-GOSISDBHSA-N 452.964 1.624 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1689984848 WXJVINBVLJBGAR-BCOMRZATSA-N 450.586 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C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(O)CCOCC2)CC1 1722442905 HSGQBLVOCPHAQW-UHFFFAOYSA-N 483.569 1.470 30 10 JDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NCC)CC1 1722465667 RDVDFRUBJDKORD-UHFFFAOYSA-N 453.572 1.947 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1722557381 XCAJHJISNVKXBK-INIZCTEOSA-N 470.939 1.908 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1722608863 NEUZHXHWAHOFET-GJZGRUSLSA-N 453.569 1.939 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)COC1 1722659807 DCGYFEZIGSGWOF-IBGZPJMESA-N 479.578 1.979 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)cc1 1722702112 DOBLQSQOBWFMKQ-YLJYHZDGSA-N 485.614 1.678 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1722727109 IOAIXTUSHNVHNI-SFHVURJKSA-N 481.582 1.825 30 10 JDEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCN1CCCO 1727422447 AYRYHMGCZYIPHI-NHCUHLMSSA-N 454.575 1.995 30 10 JDEE 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C=CCNC(=O)Cn1c(N2CCC(O)(Cc3ccccc3F)CC2)nnc1[C@]1(OCC)CCOC1 1286793196 VGUIHFISKSOKAR-VWLOTQADSA-N 487.576 1.946 30 10 JDEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NCC(F)F 1287052648 CDDPTSOYROEFMF-KBPBESRZSA-N 469.493 1.460 30 10 JDEE C#CCN(C(=O)c1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)[C@@H]1CCS(=O)(=O)C1 1291928393 KELPYZWFZPMERJ-ZWKOTPCHSA-N 450.561 1.718 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1300506417 SGADWJNNJWMMLX-TUFLPTIASA-N 479.647 1.503 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(CC)c1 1300671225 FLLGZEIPQCQBEF-IBGZPJMESA-N 473.578 1.937 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1300719833 RSZXIVIYLVXMIB-JOCHJYFZSA-N 492.628 1.249 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1300734085 QFFSZAKSHRWSHX-WMLDXEAASA-N 466.637 1.305 30 10 JDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)OC 1301001700 AJIUYVWBMRUZPX-QUCCMNQESA-N 476.603 1.586 30 10 JDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1301258390 RGCIDVLICUYLNR-SFHVURJKSA-N 455.563 1.585 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC(C)C)C1CCCC1 1301500965 RVQMOIKKFFWOKK-GOSISDBHSA-N 468.624 1.318 30 10 JDEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](CNC(C)=O)C2)cc1 1301530429 UKCSNMHEHPLBEI-OAQYLSRUSA-N 468.558 1.355 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCS[C@H](CC)C1 1301586320 RHGJYCCZCXUJEI-CQSZACIVSA-N 453.590 1.938 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1301587082 LWSAQCIOCZUMDR-LJQANCHMSA-N 499.593 1.936 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC1CCN(CC(F)(F)F)CC1 1303865709 CZIOJNPAVDCIRM-ZBFHGGJFSA-N 493.556 1.281 30 10 JDEE CCN1CCN(CCCn2c(C(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 1313959722 CATYSTVBAHZPNV-UHFFFAOYSA-N 468.654 1.669 30 10 JDEE COCCN(CCC#N)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCS(=O)(=O)C1 1316101184 DSJHDFFZTXCQOH-GOSISDBHSA-N 471.587 1.708 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@]2(C)COCCO2)c1 1358900712 QWJFBFYMJCEVTI-HSZRJFAPSA-N 454.531 1.278 30 10 JDEE C#CCCCn1c(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1358936773 XKJWSSOMEIXSAY-BVAGGSTKSA-N 488.677 1.963 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358961861 GODVOLXPWFLEPX-DMUMMCEESA-N 477.631 1.697 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1358962830 YAYVXRZNJVAEBF-INIZCTEOSA-N 484.582 1.893 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1358968037 YABXWKXKRTWWKK-SFHVURJKSA-N 477.562 1.538 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1OC(F)F 1359009991 CYKUDZXBLNZONZ-KRWDZBQOSA-N 487.504 1.859 30 10 JDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359058475 FIMUOFCKDIPZFH-UHFFFAOYSA-N 462.583 1.451 30 10 JDEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1359219814 DQXPTKVRWYHZHF-UHFFFAOYSA-N 493.568 1.202 30 10 JDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359238408 KBWOKWHUQBXUIK-INIZCTEOSA-N 471.587 1.579 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1359295957 SFVIOXYWAIYHRE-SFHVURJKSA-N 463.546 1.342 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC1CCOCC1 1359298742 KLNDYYGBASDTAC-UHFFFAOYSA-N 465.558 1.840 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1359302759 SHPLQFIXCGABBT-UHFFFAOYSA-N 452.588 1.653 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ncccn3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359305448 CXZPCZNKUHZXPS-HDICACEKSA-N 497.604 1.468 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1359315094 NXTOWDWWRVQWQZ-IBGZPJMESA-N 462.572 1.675 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1359330653 YKNNTWKKIRGCFA-YLJYHZDGSA-N 463.579 1.842 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cn(C)nc1-c1ccccc1 1360680682 HDXNIMVTYIOPKY-BTYIYWSLSA-N 472.550 1.779 30 10 JDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCSCC2)CC1 1501780259 IDUPQMPBFWXFJL-UHFFFAOYSA-N 496.685 1.856 30 10 JDEE CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C[C@H]1C 1502248866 CSHLVLIKXORWDI-QZTJIDSGSA-N 472.615 1.675 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccncc2)C1 1502468610 BTGQHBPPVNMONM-FQEVSTJZSA-N 451.556 1.972 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCCN2CCOCC2)c1 1507548611 UJZMYCIHPVELFS-UHFFFAOYSA-N 467.574 1.195 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1507630155 ZNUCQFYZGVSRQC-BQJIDLTASA-N 479.990 1.550 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1507634577 ZEOSOALLASQWCB-OALUTQOASA-N 458.588 1.696 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccn(C)n1 1507699408 GNIMBEAWLIEXKM-MRXNPFEDSA-N 459.551 1.643 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccn1C(F)F 1507820716 LAQVUNYQUOIKND-AWEZNQCLSA-N 459.523 1.653 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1508072419 PVTZRQJDKVKOGX-QAPCUYQASA-N 476.965 1.404 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCS(=O)(=O)CC1 1508076098 XRSFCYQIFVZGPS-UHFFFAOYSA-N 454.350 1.245 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(C)C)C1 1508089985 GUISMVNVMPEDDV-ZWKOTPCHSA-N 478.594 1.750 30 10 JDEE CNC(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)c1 1517494031 BFJWLEMJCHBJLI-IBGZPJMESA-N 456.572 1.718 30 10 JDEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1517527856 DFYGZCGOCRUDMY-PZJWPPBQSA-N 468.558 1.743 30 10 JDEE Cn1[nH]c(-c2ccccc2)nc1=NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1531459160 ADMVECHHAJWKNO-UHFFFAOYSA-N 450.524 1.815 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539213406 ZJKNQPXNGQVDEU-GOSISDBHSA-N 490.582 1.131 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)c1 1539293340 JALHSDWPTKOSLE-WOJBJXKFSA-N 459.612 1.746 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCO[C@@H]1CCCC[C@H]1C 1539370552 XHFDEEBHNAMSEY-QRVBRYPASA-N 453.609 1.666 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC[S@@](=O)C(C)(C)C)CC1 1539445743 DGVRVNBXWLRZNM-UUWRZZSWSA-N 481.626 1.494 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1539445986 MSKGHRHDHSMPKI-UHFFFAOYSA-N 465.583 1.294 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCS(=O)(=O)CC2CC2)CC1 1539483124 SIWFEPAJAWMDJI-UHFFFAOYSA-N 483.638 1.968 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1539489817 OMOFERDNYYDHSF-SFHLNBCPSA-N 472.634 1.983 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)C)CC1 1539616190 PHOIAETWCAPBKZ-BZSNNMDCSA-N 468.624 1.174 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS(=O)(=O)CC1 1539622485 WVDKLJFHEZUKIY-PKOBYXMFSA-N 480.612 1.565 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCNC(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539642578 QYYXKYAWMWJHGG-BMFAXAFESA-N 460.579 1.966 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(O)c2)CC1 1540035889 IDJOJLHWRHIDFN-GOSISDBHSA-N 461.588 1.805 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1540870001 BZHQLYTWGSPDKU-DLBZAZTESA-N 496.634 1.318 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1540877048 JDHUHMDWUNRSCF-VCOUNFBDSA-N 488.633 1.779 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1540899922 FGCIUZYLFIUMME-OAHLLOKOSA-N 489.019 1.831 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@@H](C2CCC2)C1 1540904443 NEJJKNUMXBRUDF-ROUUACIJSA-N 472.633 1.034 30 10 JDEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1540913813 UMHPZEQFNRTBHR-UHFFFAOYSA-N 471.631 1.549 30 10 JDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1547313052 IAOHEAOMBKFDQA-KRWDZBQOSA-N 464.574 1.084 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCOCC1 1587562929 VIOXSGDMFGARCZ-MSOLQXFVSA-N 460.604 1.227 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CCS(=O)(=O)C1 1587574491 IVZXEGCAIIFYJB-KPZWWZAWSA-N 471.352 1.854 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588024489 FOOKTYSQTQQLKE-AZUAARDMSA-N 455.584 1.945 30 10 JDEE C#CCN(c1nnc(-c2cc(F)ccc2Br)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1588035118 PFJFKNJPFIDYLQ-AWEZNQCLSA-N 498.378 1.610 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCNC(=O)Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1588045243 HVDHBYLBFPXMLU-FQEVSTJZSA-N 498.584 1.408 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN(C)C(=O)OC(C)(C)C)CC1 1588864663 IXJSALXXIHLGNP-UHFFFAOYSA-N 456.595 1.762 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(F)(F)F)n2)CC1 1588924055 UXCKACHEVFOGPE-MRXNPFEDSA-N 475.475 1.657 30 10 JDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1594004002 PPZCMVBDVAXEMT-HKUYNNGSSA-N 452.987 1.499 30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCS(C)(=O)=O)CC1 1594035433 ISGQJRAMVDZMFP-UHFFFAOYSA-N 467.617 1.787 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1Cc1cccs1 1595475136 APTLRCUYGJYFJT-CABCVRRESA-N 452.606 1.464 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1595569406 GZULDHZXHADIOF-UHFFFAOYSA-N 460.546 1.035 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCn2c(O)nc3ccccc32)C1 1595674481 QGJSSVAPVCSTQS-JKSUJKDBSA-N 475.575 1.425 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCNS(=O)(=O)c2ccccc2)C1 1595720825 BXEGZHHLFQLRMN-RTBURBONSA-N 461.588 1.932 30 10 JDEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1 1617572611 GAKKKMLXUIDDNT-NHCUHLMSSA-N 462.558 1.488 30 10 JDEE CN(C)C(=O)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1617586678 AUQMVDNCYQGXOX-FQEVSTJZSA-N 464.574 1.291 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CCC(=O)N1CCOCC1 1617869530 ANSMEVNVOUBQBW-UHFFFAOYSA-N 451.531 1.157 30 10 JDEE CO[C@](C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)C1CC1 1618922041 FMVLYCWKAAIBHA-WIYYLYMNSA-N 466.608 1.556 30 10 JDEE COc1ccncc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1619472995 HNMABNXVEQUKQZ-UHFFFAOYSA-N 497.581 1.652 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@]2(COC)CCCCN2C(=O)OC(C)(C)C)CC1 1628146548 KWOVHHXRMIERSK-QHCPKHFHSA-N 450.580 1.076 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)c1 1631207175 WQRQYDLFCGUOQF-QGZVFWFLSA-N 450.900 1.486 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2Cc3cc(C(=O)OCC)nn3C[C@H]2C)s1 1635117514 WZAACNALMNHMMU-CYBMUJFWSA-N 452.558 1.559 30 10 JDEE C#CCN(C(=O)NCCC(=O)Nc1ccc(Br)cc1C)[C@H]1CCS(=O)(=O)C1 1677873930 GTTUATIEONOJBG-HNNXBMFYSA-N 456.362 1.918 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1CCS(=O)(=O)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689991156 XBZJKAZPTNTQGE-FQEVSTJZSA-N 476.624 1.787 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OCC 1690019934 VHBWEUZHGBBLRH-NRFANRHFSA-N 471.583 1.439 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCN/C(O)=C1\N=CC=CC1=O 1690022724 PLHSCEABMDBSGR-GHVJWSGMSA-N 454.494 1.116 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOC2=O)cc1 1690104261 RECIUMJPYMLCIU-SFHVURJKSA-N 473.555 1.271 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(O)CC(OCC)C2)CC1 1690138240 WNXNGJOPKFZBKN-UHFFFAOYSA-N 497.596 1.858 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCCN2CCN(CC)CC2)CC1 1690143747 AMUSACNABMOFAM-UHFFFAOYSA-N 455.651 1.929 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(C3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1690731855 RPINYBZVLALHGD-QFIPXVFZSA-N 467.636 1.596 30 10 JDEE COc1ccccc1-c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCS(C)(=O)=O 1697564804 HIDLNKTZYHSPAI-UHFFFAOYSA-N 481.582 1.982 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)N1CCOCC1 1705491364 BSLLFMQIUPWLFP-KRWDZBQOSA-N 460.579 1.709 30 10 JDEE 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Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C12CC2 2282694714 IMTYAKQMZKRRAE-CQSZACIVSA-N 461.372 1.634 30 10 JDEE CC[C@@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1Cc1ccccc1 2282858359 VZMOHRDCEZJODH-GOSISDBHSA-N 475.424 1.399 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2335426532 SHQCIVNUTPILFX-AWEZNQCLSA-N 488.437 1.601 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2359279771 BDHNDIPGQCHLOV-KSZLIROESA-N 462.352 1.057 30 10 JDEE COC[C@]1(C)C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2364199416 HVFNYWFLMFUDIQ-PEBXRYMYSA-N 464.372 1.853 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)Nc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1 2366918654 HOMJBPMKJKANJL-CQSZACIVSA-N 469.294 1.971 30 10 JDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)NC3CC(C)(C)NC(C)(C)C3)n[nH]2)cn1 59887381 HBXOECFHHAMWGE-UFFVCSGVSA-N 463.612 1.611 30 10 JDEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3nc4ccccc4s3)n2N)cn1 59914131 JYOMKPCTLJGKCT-DNTJNYDQSA-N 472.560 1.621 30 10 JDEE C=CCn1c(=O)c2ccc(C(=O)NC(C)C)cc2n2c(=O)n(CC(=O)Nc3ccccc3)nc12 64581529 GRELKKOLPWNDRA-UHFFFAOYSA-N 460.494 1.774 30 10 JDEE COCCN1C(=O)C(=O)/C(=C(\O)c2cccc(S(=O)(=O)N(C)C)c2)[C@@]12C(=O)N(C)c1ccccc12 102566678 FKRFRXGHUWPPQD-RLRPEEDVSA-N 499.545 1.136 30 10 JDEE C=C[C@]1(C)CC(=O)[C@@]2(O)[C@]3(C)[C@@H](O)CCC(C)(C)[C@H]3[C@@H](O)[C@@H](OC(=O)CCC(=O)O)[C@@]2(C)O1 256356200 GAXOOYZVVOXRCK-LOMWDVCLSA-N 468.543 1.365 30 10 JDEE in-vitro CCc1cccc(OC[C@@H](O)Cn2c(N/N=C/c3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)c1 606630168 NSFCRLBXRZESRS-FOGHPNEFSA-N 476.537 1.882 30 10 JDEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NCC=C)sc(=Cc3cc(OC)c4c(c3)OCCO4)c2=O)c1 726580711 WDZGJERESGKASO-UHFFFAOYSA-N 499.548 1.465 30 10 JDEE COc1ccc(C(=O)N2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)c(OC)c1 1167145756 HJNVJYOODDKFGV-NRFANRHFSA-N 457.575 1.154 30 10 JDEE C#CCCCCNC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1230340469 PZZGWPXHXVODSR-UHFFFAOYSA-N 454.936 1.490 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNS(=O)(=O)CC 1286296883 SFJGUWSLBDOMNL-IAGOWNOFSA-N 484.623 1.374 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1COc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1286379952 FGTBUSKLBXLJCS-PKOBYXMFSA-N 485.610 1.999 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1286382721 TVCBZSOLBVRYCB-IAGOWNOFSA-N 460.560 1.367 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1286384810 SRZDENRWDYLCIS-KXBFYZLASA-N 482.404 1.823 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OCC(C)C)c1)[C@H]1CCS(=O)(=O)C1 1286389959 UGCKZBAMTCELER-FPOVZHCZSA-N 485.610 1.939 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nnnn1CC1CC1 1286433355 QTVNOMBZPFAJAG-KDURUIRLSA-N 479.589 1.957 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(C)OCCc3sccc32)CC1 1286485385 JWQLSGPSVFCXJS-DEOSSOPVSA-N 484.626 1.932 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCc2nc(C)cs2)CC1 1286489854 CZZHEPLXQMBZPE-SFHVURJKSA-N 469.615 1.983 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cnn(C)c2)CC1 1286507988 FDXXUQULTWNQQZ-IBGZPJMESA-N 493.659 1.095 30 10 JDEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1286508694 PJYIFEMZNIFUFZ-UHFFFAOYSA-N 463.633 1.150 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286629224 OPCGJWCQIJXYAT-JKSUJKDBSA-N 493.996 1.292 30 10 JDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286667934 VJRPQMFTWLRFDF-UHFFFAOYSA-N 457.623 1.861 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COCCO1 1286744635 KFXHXLCCRKIACT-AZUAARDMSA-N 495.577 1.358 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(C)c2C1 1286781162 VFDFDWZZJMKJOX-AWEZNQCLSA-N 450.540 1.201 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCS(=O)(=O)CC2)cc1 1286794541 JWWSLGREIFJZII-UHFFFAOYSA-N 468.539 1.773 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(O)CCN(C(C)C)CC2)C1 1286804429 NGPKFVUTZWDBST-GBXCKJPGSA-N 463.623 1.947 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286816168 IYWKDZBVMSJWSI-OAHLLOKOSA-N 484.600 1.186 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CC(=O)N(C)C[C@@H]1C 1286816484 JRHNHQZWDOLESU-AWEZNQCLSA-N 482.404 1.975 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286818204 UNDXSSHWQMKTHH-MSOLQXFVSA-N 452.625 1.975 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1286819918 ZLHQFQMKZLDIDV-GOSISDBHSA-N 488.618 1.070 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1286821430 KUNXYCZPEGVSNJ-CQSZACIVSA-N 451.515 1.582 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCN(C(C)=O)CC1 1286823119 KAZXJWRQJQQEKU-UHFFFAOYSA-N 463.560 1.135 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)(C)C)n3CCN/C(O)=C3/N=CC=CC3=O)C[C@@H]2C)CC1 1286888640 ZXHIQWIBUDAZRR-AEPNEWLMSA-N 498.632 1.091 30 10 JDEE CN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1298397772 AQVBDLBBEMTDBT-QGZVFWFLSA-N 455.544 1.533 30 10 JDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CCCO)C1 1299072439 COHUCLFHLSUCJO-LEWJYISDSA-N 451.575 1.626 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1cccc(CN2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 1300503851 GIRSMYHFDRQDOZ-QFIPXVFZSA-N 487.626 1.322 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCOC1=O 1300528523 XSYAYGQLQGYBDQ-UHFFFAOYSA-N 459.510 1.590 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)Cc1ccccc1 1300802783 WMMCCJGOUIUPLA-WMZHIEFXSA-N 455.584 1.831 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(COC)CCOCC2)CC1 1301125016 LUEMCXSZCFAZMI-IBGZPJMESA-N 483.635 1.457 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1 1301410636 IYLZMPYHHIYLCU-LJQANCHMSA-N 475.575 1.221 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1301482626 XUIAAKOVPKTPMS-WBVHZDCISA-N 485.520 1.332 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccccc1 1301501016 SKMNGSGLWMFNMV-FUHWJXTLSA-N 462.576 1.111 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1301584757 DDNCEEMRMWMLLB-KRWDZBQOSA-N 482.632 1.015 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CC[C@@H](C)[C@@H](O)C1 1301593169 KACAUCPLIQQSIQ-SJORKVTESA-N 450.561 1.674 30 10 JDEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1314676827 BBFYOKSROBWECV-MRXNPFEDSA-N 488.492 1.388 30 10 JDEE CS(=O)(=O)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C#N)C1 1316348412 AQYNWHNMHJEXOD-ZDUSSCGKSA-N 460.343 1.937 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1358929967 LLERZMALHSJQRS-OAQYLSRUSA-N 489.598 1.604 30 10 JDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)N(C)C 1358948589 GAXMSSOUVWYOAQ-UHFFFAOYSA-N 454.597 1.353 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CCCCN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1358960071 WFGWIIQOBOODBW-QHCPKHFHSA-N 484.670 1.990 30 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PNWJIYZWVMUDER-FQEVSTJZSA-N 480.679 1.965 30 10 JDEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)N(C)C)CC1 1359339386 CQBSUEORHXGTCD-UHFFFAOYSA-N 458.588 1.803 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCOc3cc(NC(=O)OC(C)(C)C)ccc3C2)C1=O 1455114886 SFFLVLKFPMEVPH-UHFFFAOYSA-N 458.471 1.731 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)s1 1466736138 HGZJPDXFGVWTGW-ZFWWWQNUSA-N 454.574 1.630 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507518985 OSGPBULDFYYTEA-WEMPKCCASA-N 465.620 1.592 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(c2cccc(OC)c2)CC1)[C@H]1CCS(=O)(=O)C1 1507622310 DPDMSABLGIOLCY-IBGZPJMESA-N 485.610 1.783 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1507630620 DIEVQEJPALYWIM-INIZCTEOSA-N 455.544 1.463 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(OC)OC)c1 1507690657 UUVCUTZEZFQATM-IBGZPJMESA-N 477.587 1.410 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N(C)C)c1 1507711116 ODFFMUDVIHRWBA-IBGZPJMESA-N 459.572 1.016 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1507737624 CXJKVORQDMKDMX-LEWJYISDSA-N 469.634 1.706 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(=O)(=O)CC)CC1 1507795545 DQUOCBGPPFZPNF-SCTDSRPQSA-N 486.660 1.565 30 10 JDEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507923502 XAMMAMZCTURKHQ-UHFFFAOYSA-N 451.575 1.793 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1508072936 UIQQROWHTBMDEW-GOSISDBHSA-N 487.649 1.974 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1508079034 MOZIFMXTMYTTFB-ROUUACIJSA-N 454.531 1.512 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 1508091350 NFDMFWNZDITGTI-MRXNPFEDSA-N 452.567 1.322 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)cc2)C1 1508122738 GDNHNVZDVJLFCZ-VQTJNVASSA-N 461.588 1.749 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1508135617 KFEUVEFVUZTTSC-INIZCTEOSA-N 454.574 1.178 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)CC(N)=O 1508136498 SMXAFDMKLASLHF-LBPRGKRZSA-N 473.397 1.347 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1508140565 IXLXYLUCQOVWDN-FPOVZHCZSA-N 491.589 1.919 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1508147935 NSOCWUOYMLAMRQ-LSDHHAIUSA-N 451.515 1.803 30 10 JDEE CCS(=O)(=O)NCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@](F)(C#N)C1 1516837186 APWZBZNKFATYIC-KUHUBIRLSA-N 454.503 1.938 30 10 JDEE COc1ccccc1OC[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1518499024 BWURJJYOOFZENT-QZTJIDSGSA-N 454.531 1.853 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(CS(C)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 1539203447 PVSGANUULNPYHL-LJQANCHMSA-N 478.640 1.795 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1539229259 BFUDCXNLJQKBQW-SFHVURJKSA-N 462.547 1.928 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1539230265 FPCZGZIUIARFDH-FCMAGTKHSA-N 480.631 1.690 30 10 JDEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1539515112 XPJSTCMKNWATCB-UHFFFAOYSA-N 464.617 1.942 30 10 JDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1539520358 QGBBRUQCYSPUIQ-HXUWFJFHSA-N 453.616 1.373 30 10 JDEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539585776 ACXLSGFBVUFBAC-UHFFFAOYSA-N 484.358 1.653 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1540902512 LFOLSUFRRANIAJ-RDJZCZTQSA-N 478.571 1.454 30 10 JDEE CN(C)C(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(S(=O)(=O)N(C)C)CC2 1548379490 TZNGPQTUMRVBEO-GOSISDBHSA-N 487.548 1.990 30 10 JDEE CN(C)C(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@](C)(C#N)C1 1552699069 CWCNNJSLIFFVEE-QFIPXVFZSA-N 473.603 1.804 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cn2c(-c3scnc3C)nc3ccccc32)CC1 1558072828 FPBYXAXLSFQTGA-UHFFFAOYSA-N 458.569 1.080 30 10 JDEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1588034507 HLTAQJBVZWNWOP-PXNSSMCTSA-N 495.399 1.486 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](c1cccc(OC)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588049104 AEXNXHCQUDEMET-SIKLNZKXSA-N 495.609 1.673 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1588050695 UMRKBUOGBMOTJK-SFHVURJKSA-N 482.566 1.817 30 10 JDEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1588074273 LROQOVDFIMHRFQ-ROUUACIJSA-N 492.623 1.621 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCSC1 1588138585 GBOSJUCONQCPTO-VGSWGCGISA-N 461.588 1.527 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1C 1588647837 ZFJKHBFIYAMNAL-FQEVSTJZSA-N 461.588 1.248 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)c2ccc(S(=O)(=O)NC)cc2)s1 1611574174 YLAGAEGGZINZQD-CYBMUJFWSA-N 457.599 1.540 30 10 JDEE C[C@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1613001146 DUMQTQQDVABFKJ-WMZOPIPTSA-N 462.576 1.387 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2ccc(F)cc2)C1 1620170628 HFEINGZBZMIDBN-YLJYHZDGSA-N 466.514 1.435 30 10 JDEE C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(N2CCCC2)c1 1638257974 FCPIXCOIBFGVNQ-MRXNPFEDSA-N 455.540 1.580 30 10 JDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)CC1 1665750032 GZGXZRXQNIWZMG-UHFFFAOYSA-N 455.602 1.420 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1689825917 FPGDMZJMHHBIJM-DOTOQJQBSA-N 479.006 1.601 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1689892955 QNCZGOOTFADLNT-FHWLQOOXSA-N 451.593 1.277 30 10 JDEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@H]2C1 1689893232 WKYZFZKVFPUGDI-ROUUACIJSA-N 473.578 1.604 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C(C)C)N1CCOCC1 1690039392 DHPJYABCILQUBF-QHCPKHFHSA-N 473.585 1.741 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(Cl)c1 1690046362 BHMCWAUSFVQCGM-FQEVSTJZSA-N 492.001 1.784 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1690095917 IIIUDELPAFDMFO-HXUWFJFHSA-N 497.625 1.837 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)n1 1690109173 JDGCBHPSAPQIAM-DFBJGRDBSA-N 475.553 1.839 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(OCCOC)CCOCC2)CC1 1690116002 ZBJBENJYJRIDJZ-UHFFFAOYSA-N 464.570 1.784 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2c[nH]nc2C)CC1 1690136555 HEUAGAZZHPQWNP-UHFFFAOYSA-N 475.557 1.556 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCCO2)CC1 1690137948 MPCVKXZKJAKCOF-YKSBVNFPSA-N 459.591 1.854 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1690144334 VGPUMHXJAFMJAZ-UYAOXDASSA-N 455.607 1.315 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2nnc3n2CCCCC3)CC1 1690396793 MGGNSOQAHCDWMG-MRXNPFEDSA-N 462.624 1.851 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1690663090 LSPILJUJSQQREH-XMSQKQJNSA-N 476.585 1.108 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1690665408 BZVWOGXYQLJSJB-LJQANCHMSA-N 490.612 1.832 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CS(C)(=O)=O)cc1 1690680439 SCGQDLDVTHOXGE-AEFFLSMTSA-N 482.628 1.663 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccnc2OCC)C1 1690700936 ZWERJBYXRXQAEM-MOPGFXCFSA-N 492.602 1.234 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1690724593 SDGQSEANZWREFA-QZTJIDSGSA-N 499.634 1.503 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCCCO2)CCO1 1696972397 DPIJXXISERHAQH-AZUAARDMSA-N 454.531 1.639 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC(=O)N2CCOCC2)c1 1698485321 BQIQDUYMWMMBGP-MRXNPFEDSA-N 450.421 1.443 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC2(N(C)C)CCOCC2)c1 1705505655 QWMGKDKHRFIYEG-UHFFFAOYSA-N 474.569 1.902 30 10 JDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1705543142 WVCVGFCVWXODGZ-HSZRJFAPSA-N 458.563 1.643 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1705558889 KYDIIKDLTZKBGJ-SFHVURJKSA-N 459.572 1.490 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1705559380 ZNQLRUGTVWDVCO-QGZVFWFLSA-N 451.593 1.204 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1705567831 ANAKVDUKSOHLHY-PMACEKPBSA-N 474.583 1.462 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1705568235 JQMABRWUJYNQHJ-LEWJYISDSA-N 488.610 1.906 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1705568916 AMKWJIVZFYJORY-LJQANCHMSA-N 454.556 1.738 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc4ccccc4o3)n2CCS(=O)(=O)NC(C)C)CC1 1705635679 HAPANHQVKBBACV-UHFFFAOYSA-N 456.572 1.774 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)c2nccs2)CC1 1705645580 YCSMRVRXIKKWLX-GJZGRUSLSA-N 479.632 1.114 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1705662178 RWQUYDMFTHCRQG-IPMKNSEASA-N 467.661 1.094 30 10 JDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1705744568 IAIIKHIUTAXDQZ-UHFFFAOYSA-N 467.983 1.928 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](OC)C1 1705934438 MNUZAHIZIXQFTP-OAHLLOKOSA-N 458.544 1.018 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705936492 RRLNNDAJTDDZAB-SFHVURJKSA-N 451.593 1.364 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1705937527 WVMBZBLRJSRIMS-MOPGFXCFSA-N 459.572 1.599 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1710305150 DRNIIUILRALIFW-QGZVFWFLSA-N 494.604 1.053 30 10 JDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2COCCO2)cc1Br 1711774653 IBSZUWPXSODZAY-GJZGRUSLSA-N 464.320 1.860 30 10 JDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CC1 1712108926 HVRRZRDRELVWEY-QHCPKHFHSA-N 454.531 1.354 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1722365294 DBEDAQOSIFMRSY-SJORKVTESA-N 451.593 1.309 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C/C=C/c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722367834 OLIBXUNQUWPUNZ-XXGTVTCJSA-N 474.608 1.520 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@H]1c1ccccc1 1722383546 JAHCEQVEWWLNJD-VABKMULXSA-N 497.621 1.852 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(SC)CC2)CC1 1722434226 NUIULGZAXQWRKH-UHFFFAOYSA-N 474.656 1.846 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)c2cccs2)CC1 1722441187 NFELSMLSUKYORR-QFIPXVFZSA-N 458.588 1.351 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCOc1cccc(C(F)(F)F)n1 1722446687 IPJICOCIBKHOFI-CQSZACIVSA-N 452.437 1.808 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCOC[C@@H]2OC)CC1 1722449709 OJIZDVBDYORVQY-RTWAWAEBSA-N 469.590 1.157 30 10 JDEE C#CCSCCn1c(N2CC[C@H](N3CCN(C(C)C)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1722463779 MRZUSDHTUGWQKJ-XUZZJYLKSA-N 476.691 1.901 30 10 JDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722530576 WUVWWTTXQJSRMR-GOSISDBHSA-N 477.587 1.827 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1722724299 SRIIJMJRPZPWCN-DOMZBBRYSA-N 483.392 1.351 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccccc2F)C1 1722726595 GYLZGOWQQZPZDA-MSOLQXFVSA-N 463.535 1.547 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@H]1C 1722730938 IAUXTXRIUYQFHN-IAGOWNOFSA-N 476.603 1.558 30 10 JDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1722738381 IGQGQYAMYYDSMW-NHCUHLMSSA-N 464.680 1.932 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 1740615932 OBSQQCWYFHDRBA-QUCCMNQESA-N 498.609 1.096 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1740618513 ISNFYHIEWYAXNN-DYESRHJHSA-N 479.628 1.624 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740620940 IJKXHTOXQXOCAJ-GOSISDBHSA-N 456.572 1.416 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccn(-c2ccc(F)cc2)n1 1740631157 PTEYGQCGOWNSLG-QGZVFWFLSA-N 469.546 1.529 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N1CCOCC1 1740671566 JZTCKDHPBHTSEO-LEWJYISDSA-N 457.600 1.713 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1c2ccccc2C[C@H]1C 1740686015 NRRWQTGSGPXABM-UYAOXDASSA-N 457.600 1.717 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C)c2)CC1 1740705074 AJGZGYCZERTJJL-HXUWFJFHSA-N 455.584 1.503 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740758721 BGLQWOWBRZLEBO-REWPJTCUSA-N 453.591 1.455 30 10 JDEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740946717 CSZGCPABMYRYRW-SFHVURJKSA-N 461.611 1.789 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCC1 1741801509 BIPUAPYFKNGEBV-MSOLQXFVSA-N 453.613 1.225 30 10 JDEE CCN1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 1746459298 CNDOSFLSHPEFKT-SIKLNZKXSA-N 485.658 1.714 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1748699615 QACPIFSNKHVTRV-KRWDZBQOSA-N 474.587 1.360 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1748751252 DMEVUZYVDPTMAS-HKUYNNGSSA-N 461.592 1.272 30 10 JDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1748766102 FOQXGYARGMECJW-AZUAARDMSA-N 460.604 1.340 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748817885 RYYIXSXHWZTLIZ-QHAWAJNXSA-N 463.648 1.919 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748820539 DIFJCRGGTQZDOC-HXUWFJFHSA-N 459.620 1.252 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CCOCC)CCCC2)CC1 1748989005 DGDDETWMUGSTHG-FQEVSTJZSA-N 463.648 1.922 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC2CCS(=O)(=O)CC2)CC1 1748999120 JIEKIMXSAYEBHS-UHFFFAOYSA-N 461.563 1.576 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)CC1 1749010071 HHFYPTXQPBZFRB-QFIPXVFZSA-N 462.554 1.978 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1749010096 HYWKFXRRQKCBAS-JOCHJYFZSA-N 494.644 1.192 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1749023270 QONADCIZSSBWDQ-HZPDHXFCSA-N 470.665 1.386 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OCC 1749065903 CZVQXDYJVGQULN-XMSQKQJNSA-N 474.587 1.445 30 10 JDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1749222406 HLBLHBUBSAKWPJ-SFTDATJTSA-N 484.649 1.898 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1749457328 JTAZGCNMQJAXED-OAHLLOKOSA-N 458.544 1.308 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749650583 BZHSGLLIHXXHFI-DNVCBOLYSA-N 460.510 1.201 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1749669209 DHLDASRDNYIMRQ-GOSISDBHSA-N 456.522 1.245 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1)C1CC1 1749670155 RVXKGGFHQDBYBD-IBGZPJMESA-N 474.587 1.082 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1749729567 NRFZAQYIHAIASB-KRWDZBQOSA-N 494.618 1.614 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS[C@H](C)C1 1749734209 FUKPAKBEFSIMLS-QGZVFWFLSA-N 477.660 1.995 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCCCC2)C1 1749735272 QSUHRERSBMVNOV-QGZVFWFLSA-N 456.634 1.942 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H](c1cccs1)N1CCOCC1 1751195708 FBNIDZKWQBJHJX-IKGGRYGDSA-N 481.648 1.762 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1760186879 RUQMVRGSUDCWQI-XMMPIXPASA-N 498.697 1.832 30 10 JDEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CC(=O)N1CCOCC1 1760237558 NARLIIMTRSRIAA-UHFFFAOYSA-N 462.348 1.938 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1NC(=O)CC1(C)C 1760249140 HZANZFCIXCUDNG-ZWKOTPCHSA-N 490.605 1.587 30 10 JDEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760277665 CWHQROHBRGXBFB-UHFFFAOYSA-N 472.590 1.431 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(C)no2)CC1 1760300186 BEBQBSUEDRGKEB-AWEZNQCLSA-N 488.412 1.416 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1760526126 FJLWNEGOMMMEJS-NRFANRHFSA-N 468.602 1.935 30 10 JDEE CCCNC(=O)c1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c1 1764495634 DPGXTOJAHONAPY-MRXNPFEDSA-N 473.603 1.816 30 10 JDEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(C)=O)CC1)S(C)(=O)=O 1765212231 GAVOKLIVPGNVMW-UHFFFAOYSA-N 487.630 1.841 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1772566668 UELCRVSMBWPZOF-SFHVURJKSA-N 457.579 1.150 30 10 JDEE N#Cc1ccccc1NC(=O)[C@@H]1CCN(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)C1 1858395482 OZMNZQZDITZJQI-MRXNPFEDSA-N 452.492 1.445 30 10 JDEE C=CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 1858961746 NQNCENYULCFCMH-UHFFFAOYSA-N 481.552 1.468 30 10 JDEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1862697891 UVABICMYLYHVOI-LJQANCHMSA-N 456.407 1.945 30 10 JDEE N#Cc1ccccc1NC(=O)[C@@H](CO)NC(=O)C[C@H](c1cccc(Br)c1)c1nn[nH]n1 1867251723 RSDBISQYYIFZLS-NVXWUHKLSA-N 484.314 1.472 30 10 JDEE C=CCN=c1nc(Nc2ccc(N3CCN(C)CC3)cc2)[nH]c(N(CCOC)CCOC)n1 1871656538 FEJOPPPASBRNCP-UHFFFAOYSA-N 456.595 1.486 30 10 JDEE O=C(NCC#CCN1CCOCC1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 1889828980 XQLDDPCENAHNLD-LJQANCHMSA-N 484.416 1.444 30 10 JDEE CC1(C)OB(c2c[nH]nc2C(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)OC1(C)C 2247917854 LODUXJJLDICGJM-NJAFHUGGSA-N 452.320 1.848 30 10 JDEE C=C(CS(=O)(=O)NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C1)B1OC(C)(C)C(C)(C)O1 2255951294 CFBWVLZBPXUYAC-HRCADAONSA-N 460.402 1.758 30 10 JDEE COc1ccc(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267106473 ABMIHIXDVIYVEH-CQSZACIVSA-N 450.341 1.610 30 10 JDEE COC1(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN(C(=O)OC(C)(C)C)C1 2267139907 MDQVGWFJKYCHMA-UHFFFAOYSA-N 450.345 1.465 30 10 JDEE CC(C)(C)OC(=O)N1CC2(COCCN2C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2267543932 MSRKBNLHTTXEDH-UHFFFAOYSA-N 465.381 1.904 30 10 JDEE CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CC1 2267546463 WZUIGSSEOGWPNS-UHFFFAOYSA-N 466.413 1.725 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@](CF)(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267595426 IMWKDWDNUHLKRK-NRFANRHFSA-N 450.320 1.855 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC(CCNC(=O)OC(C)(C)C)C2)n1 2267707750 XFHXDIBJDKADTE-UHFFFAOYSA-N 470.401 1.255 30 10 JDEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267877324 UDLRHSKZBIKGKV-UONOGXRCSA-N 464.397 1.857 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 2282588860 XNMCAOBAPUVLAO-HNNXBMFYSA-N 459.356 1.787 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C(F)F 2282683407 CRMWZHBRJMMMJI-CVEARBPZSA-N 461.322 1.610 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)[C@@H](CO)C1 2282799432 KOHJTBYJURCPPB-MRXNPFEDSA-N 462.352 1.745 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2345739207 NKBCFCHJYMNILH-UHFFFAOYSA-N 471.360 1.907 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)s1 2359392176 CVLMYJNOSVLWCJ-UAGQMJEPSA-N 482.408 1.313 30 10 JDEE CCOc1ccccc1[C@@H]1c2c(nc(N3CCC4(CC3)OCCO4)[nH]c2=O)NC(=O)[C@H]1C#N 72444234 ONXFLSDCAXFVIR-RDJZCZTQSA-N 451.483 1.736 30 10 JDEE CCOC(=O)[C@H]1CC2(CC3(CC(COS(C)(=O)=O)(COS(C)(=O)=O)C3)C2)[C@H]1C(=O)OCC 100096882 LJEMZAKSCAFVLV-LSDHHAIUSA-N 496.600 1.248 30 10 JDEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(C#N)c(Cl)c1 608827425 BENHIRYVHOOXOV-UHFFFAOYSA-N 476.945 1.786 30 10 JDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc2c(c1)CCC2 729668816 DVYWKDGMTWKKCA-QGZVFWFLSA-N 499.596 1.690 30 10 JDEE C#CCN(C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)[C@H]1CCS(=O)(=O)C1 918754788 GPTCSIQFEDWCTL-INIZCTEOSA-N 450.513 1.889 30 10 JDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1)[C@H]1CCS(=O)(=O)C1 918754931 KTSCJYHIUYVCEG-FQEVSTJZSA-N 466.625 1.661 30 10 JDEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)N3CCN(c4cc(C#N)ccn4)CC3)cn2)C[C@@H](C)O1 1215574118 GESVWDQHFRBZHQ-CALCHBBNSA-N 452.519 1.140 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1286390024 VHWPEVCXPNIPOY-HTAPYJJXSA-N 470.555 1.479 30 10 JDEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286394799 WTYDHTNIZLECEL-LJQANCHMSA-N 482.610 1.845 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1286397015 QYAJYSQTKQADLG-IBGZPJMESA-N 461.636 1.354 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nc3c(s2)C[C@@H](C)CC3)CC1 1286471521 LIPVMFPSVNSFIB-HOTGVXAUSA-N 477.660 1.273 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCN(Cc2ccccc2)CC1 1286727577 UROBIAHYYPAKSV-OAQYLSRUSA-N 458.632 1.620 30 10 JDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1286766069 MUHWJGCPPBJIRV-LJQANCHMSA-N 469.590 1.821 30 10 JDEE C=CCn1c(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)nnc1[C@]1(OCC)CCOC1 1286777443 ADJNJJYRINSJBC-IMQCZEGASA-N 460.623 1.933 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1286787562 WNZPWSUCEKNSFN-UHFFFAOYSA-N 466.590 1.085 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(=O)N(C)C)CC2)cc1 1286795303 AGSOPRJXGZUYGE-FQEVSTJZSA-N 467.574 1.053 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCSC[C@H]1C 1286815300 QVWMPWQSRAJYIA-MRXNPFEDSA-N 499.684 1.738 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](OC)C1 1286820861 UBFNHDZAOCPTKY-IRXDYDNUSA-N 485.607 1.412 30 10 JDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1286824031 UGEAHCHYWAQQPA-UHFFFAOYSA-N 457.597 1.909 30 10 JDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1297695771 AETCKJAPIHIYCI-HXUWFJFHSA-N 470.599 1.994 30 10 JDEE C#CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)N1CCSCC1 1300471615 IXFGLOBCACBNLL-UHFFFAOYSA-N 458.613 1.729 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1300482206 DQAWVXZYGVVPBJ-BJLXPSRBSA-N 465.557 1.249 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1300489030 ZGPAKYSSGFYICH-WIYYLYMNSA-N 460.629 1.404 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN(C(C)=O)C1 1300654782 HGYSTHIYKDPTCB-IBGZPJMESA-N 463.546 1.265 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCC(C)CC2)CC1 1300700533 RUXOCLUQVXKHRS-OAQYLSRUSA-N 462.664 1.448 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2nc(C(C)C)cs2)CC1 1300729243 RUOFOJMBRFAQGB-UHFFFAOYSA-N 469.615 1.995 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCN2CCCS2(=O)=O)CC1 1300729436 ZTRBIDOQCKLXBB-UHFFFAOYSA-N 484.626 1.065 30 10 JDEE C=CCCCCn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1301198864 SRSLSFJEMQFMLA-DEOSSOPVSA-N 474.606 1.558 30 10 JDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1301477451 AUVQAVDAXNNMRF-FQEVSTJZSA-N 451.575 1.631 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1301496599 DNFOCCSUBFOXPR-NHCUHLMSSA-N 466.634 1.946 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1301501288 UVKGWKHCUXVJGA-DOTOQJQBSA-N 462.576 1.319 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1301530499 WPRPGNLSTOTTHC-SFHVURJKSA-N 459.572 1.751 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(F)CCC2)C1 1301557929 RXRWSCXVBLBTQV-IAGOWNOFSA-N 457.572 1.675 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1301586503 GZKKMWWIOXCRRU-UHFFFAOYSA-N 473.603 1.203 30 10 JDEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 1301776403 YTCKKPQQCBCJEM-OALUTQOASA-N 467.574 1.506 30 10 JDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1305117236 IEOBTXSQKYJVGR-SJLPKXTDSA-N 472.571 1.220 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1313963084 GFPYCSUWILKHHW-UHFFFAOYSA-N 458.588 1.992 30 10 JDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1358915632 KTENUINHDMVEDG-HSZRJFAPSA-N 483.598 1.888 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1COc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1358957093 PMTTYFSBTXNVTC-GBESFXJTSA-N 474.583 1.805 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccc(Cl)c1 1359024931 YURZYICZADWBIV-IERDGZPVSA-N 466.991 1.827 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1359051044 KHPSNFVQTNJNIE-LJQANCHMSA-N 470.624 1.892 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1359227689 IKTDZCDICZAKTD-SJLPKXTDSA-N 492.598 1.844 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1359332593 BKMPOVGZDPFYDI-LJQANCHMSA-N 465.620 1.612 30 10 JDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CCN1CC(F)(F)F 1494251575 AMYQGGJCTAWLRB-INIZCTEOSA-N 477.491 1.748 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1503279872 DGAZNQWYVPFUQC-UHFFFAOYSA-N 471.587 1.205 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1507644654 LEACEBJGXUAKEP-KRWDZBQOSA-N 460.581 1.246 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSc2ccccc21 1507689942 NWYZLAGVVISTBY-FUHWJXTLSA-N 461.613 1.960 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)c2ccccc2)CC1 1507728954 CCEPLTIAQBJAMU-CTNGQTDRSA-N 472.615 1.170 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CC[C@]3(CCOC3)O2)CC1 1507733860 MZROJTXWHAEKQE-CJFMBICVSA-N 486.617 1.500 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2nnc(O)c3ccccc23)n1CCCNS(=O)(=O)CC 1507765524 RPSSHUXNOROKSN-JOCHJYFZSA-N 469.571 1.915 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(S(C)(=O)=O)CC1 1507810974 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CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1547413418 BINKESXHBTWYFU-UHFFFAOYSA-N 480.617 1.676 30 10 JDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1555817478 CGRAMYVWCJNGMC-UHFFFAOYSA-N 485.595 1.390 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1csc([C@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1588074257 LLDWXRZBCGROHY-GOEBONIOSA-N 453.590 1.654 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOc2ccccc21 1588233832 RXCZHUHDPNBQFU-SIKLNZKXSA-N 483.594 1.640 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2nnc(CC)s2)CC1 1588891425 PHHMIZHOMLLACP-QFIPXVFZSA-N 473.603 1.358 30 10 JDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1589042484 CQNGEPTZVUPYFZ-GOSISDBHSA-N 476.628 1.337 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1589503454 DBHAHLZPSATHTG-FGZHOGPDSA-N 491.596 1.971 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC(NC(C)=O)CC1 1593746601 JGIAOHABCZFTKT-SOAGJPPSSA-N 498.650 1.087 30 10 JDEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNS(=O)(=O)CC 1594942920 GUFRGNLUVKSSSF-UHFFFAOYSA-N 459.576 1.797 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1595766030 KOMHWPPALNIBQD-CYBMUJFWSA-N 492.421 1.260 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2cc(C)on2)CC1 1595798154 MLDRVQCGITVLOX-GOSISDBHSA-N 464.592 1.392 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1595812019 KSQHWKHHOTYJGY-IBGZPJMESA-N 498.613 1.262 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1595812054 LRCITCGBBWIAII-GOSISDBHSA-N 491.639 1.964 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(C[S@@](C)=O)cc1 1611686320 DRKKVWWXFCNSLW-PQWIMKTGSA-N 468.580 1.257 30 10 JDEE CCS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1617261316 FUJGBRDSTXSOOX-UHFFFAOYSA-N 495.627 1.567 30 10 JDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(S(=O)(=O)Cc4ccon4)CC3)n[nH]2)c1C 1630310734 UJLYWMUDJPCKNE-UHFFFAOYSA-N 459.532 1.352 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc3n2CCN(C(=O)OC(C)(C)C)[C@H]3C)CC1 1632623463 FXGWMGRCYATEJS-SFHVURJKSA-N 457.575 1.697 30 10 JDEE C#CCN(C(=O)CNS(=O)(=O)c1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1634814450 UYWDWXDQHGQILP-UHFFFAOYSA-N 453.536 1.965 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)nc3ccc(Br)cc23)CC1 1636475784 XFWGNRPGLRSZKW-UHFFFAOYSA-N 451.346 1.531 30 10 JDEE C[C@@H](C(=O)N1CCCC1)N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 1642020306 FICTVJYNUKYSQY-VQTJNVASSA-N 458.632 1.085 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCN(c3nc(C)cc(O)n3)C2)s1 1645357454 RIQHYQUCHSCVNC-CQSZACIVSA-N 451.574 1.344 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCc3cc(C(=O)OC)ccc3NC2=O)c1 1645515196 ZSAAZBCVCRIVKN-FQEVSTJZSA-N 454.504 1.954 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCC[C@@H](C)C1 1689853046 OHIYHUJGVAZKBD-XWSJACJDSA-N 452.625 1.189 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCc2nccnc2C)c1 1689870253 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C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1722583702 TZGQVCHABPYMAK-UXHICEINSA-N 480.635 1.272 30 10 JDEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(C)CN(C)C1=O 1722680854 BNPLUMARQSFCOA-HSZRJFAPSA-N 454.579 1.569 30 10 JDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1722682217 WTHFITPFHWSWJJ-HZPDHXFCSA-N 462.551 1.450 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1722689405 SVILZJKNZTUBEM-ZDUSSCGKSA-N 470.393 1.879 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722693656 WBYONUGVAUWSBK-UHFFFAOYSA-N 466.995 1.761 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1722697889 SPOTXDRABCXNMW-QFIPXVFZSA-N 474.569 1.299 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1722729555 ONEBCXHCQBLEJF-PKOBYXMFSA-N 461.563 1.666 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(N2CCOCC2)CCSC1 1740558411 SOOMRTAVPLLOFA-JTSKRJEESA-N 474.656 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468.610 1.057 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(=O)NCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760186163 BAAGRFPMLFHEOE-NHCUHLMSSA-N 485.610 1.505 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1cc(C(F)(F)F)ccn1)[C@@H]1CCS(=O)(=O)C1 1760187165 IJLCVFCBUIPNGI-IAGOWNOFSA-N 496.515 1.512 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1760191369 GGBPHWRRJPWPJL-SFHVURJKSA-N 469.571 1.277 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCNS(C)(=O)=O)CC1 1760256458 HFSBLPPKHZVSQV-QGZVFWFLSA-N 464.567 1.252 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(-c3nc[nH]n3)cc2)CC1 1760265099 NSVHPIRHMPGYOT-UHFFFAOYSA-N 475.557 1.216 30 10 JDEE C=C(Cl)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1760366530 BVDBQRQZBLYEII-SFHVURJKSA-N 455.954 1.908 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCC2)CC1 1760522544 WDTKXRRXNMEOJG-IBGZPJMESA-N 489.621 1.563 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1760524902 MWTCJMHUNRHZHQ-UHFFFAOYSA-N 494.575 1.690 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)S[C@H](C)C1 1760565696 CNKLODIVIKODHZ-XHSDSOJGSA-N 461.679 1.860 30 10 JDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCN1CCOC1=O 1761036427 AMMOUWGNMORMOQ-KRWDZBQOSA-N 453.551 1.696 30 10 JDEE Cc1nc(C)c(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)s1 1762247591 CBSYYIWGNZCZSL-HNAYVOBHSA-N 483.595 1.369 30 10 JDEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1768016354 GDCXNAHBSBIFCB-IBGZPJMESA-N 451.575 1.986 30 10 JDEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCNC(C)=O)cc(OC)c1O 1862631976 JCSBKOSMTGVRDN-HXUWFJFHSA-N 484.461 1.853 30 10 JDEE NS(=O)(=O)c1ccc(NC(=O)[C@@H](N=C2NS(=O)(=O)c3ccccc32)c2ccccc2)cc1 1869934653 OPFZRTCKQVEJOL-IBGZPJMESA-N 470.532 1.753 30 10 JDEE COc1cc(-n2nnc(C#N)c2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC 1870097907 DAXQNENNGMIMNX-UHFFFAOYSA-N 460.428 1.874 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cccnc3N3CCOCC3)CC2)CC1 1889484710 LLXAICIVZYHWPO-UHFFFAOYSA-N 455.603 1.180 30 10 JDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)CC2)CC1 1890781203 TUFJKGAOSUZVMJ-UHFFFAOYSA-N 494.702 1.228 30 10 JDEE N#Cc1ncccc1OCC1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1892219237 FEIHNMJFFXSYJU-HXUWFJFHSA-N 485.522 1.942 30 10 JDEE C=CCC1(NC(=O)[C@@H]2[C@@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2136174989 WNRLGSZGEBODKC-IKGGRYGDSA-N 469.579 1.790 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180983905 FZPZDVZPZBFJTE-HNNXBMFYSA-N 458.328 1.573 30 10 JDEE C[C@H](NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2255811951 UTWZONJYRDWZPS-LBPRGKRZSA-N 453.370 1.542 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2256623977 JBWNDGNELZLYOB-CQSZACIVSA-N 452.382 1.818 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267170368 UVXKDGYKLDLADP-BAJJSZBSSA-N 466.369 1.681 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F 2267182938 KFHQCHUABVEKNJ-CABCVRRESA-N 452.336 1.797 30 10 JDEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N2CC(CNC(=O)C(F)(F)F)C2)OC1(C)C 2267364533 AOHRNMFIKPMSSG-UHFFFAOYSA-N 466.262 1.424 30 10 JDEE Cc1cc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2267705207 GBBFVVPHDSCSJD-KGLIPLIRSA-N 488.437 1.614 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2267718132 OOFRMGJYZPNJFD-CABCVRRESA-N 488.437 1.696 30 10 JDEE CC(C)(C)OC(=O)N1CC(ONC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2267808673 BNQYXSRDHRPPCV-UHFFFAOYSA-N 450.297 1.678 30 10 JDEE Cc1c(C(=O)N2CCOC[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281978345 BPOKTYYCINZYOZ-OAHLLOKOSA-N 464.372 1.393 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@@H]21 2282514407 CNMPOYAGWSNLGL-MSOLQXFVSA-N 459.352 1.841 30 10 JDEE COCC1(CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN(C(=O)OC(C)(C)C)C1 2282544695 TZAWERNPKODZMG-UHFFFAOYSA-N 464.372 1.333 30 10 JDEE Cc1nn(C)c(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282556245 FKVYRMASMFXZQD-CHWSQXEVSA-N 458.290 1.699 30 10 JDEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@]2(C)CO)c(B2OC(C)(C)C(C)(C)O2)n1 2282577562 GSZZHKJZGLFXKJ-JOCHJYFZSA-N 464.372 1.163 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]2CC[C@@H]21 2282654233 JAZMWYVLOYMGAK-KFWWJZLASA-N 461.372 1.632 30 10 JDEE C[C@@H]1C[C@@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN(Cc2ccccc2)C1 2282841629 OUUBILVLTBRVRD-SJLPKXTDSA-N 475.424 1.303 30 10 JDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283956200 JEILEMWPHXGIMO-KRWDZBQOSA-N 459.352 1.338 30 10 JDEE Cn1nc(C(=O)N[C@]2(C(=O)O)CCN(Cc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2284475461 XFPSIIUSYUEGET-HSZRJFAPSA-N 454.336 1.178 30 10 JDEE C[C@H](C(=O)N[C@@H]1CCNC[C@@H]1C(=O)C=Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 2328155761 MLZUOQMFPVDHIY-GQWLDOHISA-N 476.489 1.956 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N(C3CCCCC3)[C@@H]3CCS(=O)(=O)C3)cc2C1=O 9702335 LKSQXJQLBMPXTN-GOSISDBHSA-N 488.562 1.974 30 10 JDEE N#Cc1ccc(CSc2nc(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc(=O)[nH]2)cc1 23243238 LVPLAGJHDRHWAR-UHFFFAOYSA-N 483.575 1.483 30 10 JDEE CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](OS(C)(=O)=O)[C@@H]1NC(=O)c1ccccc1 48547000 NOBJEVPZRDRSTC-SOJYOXCPSA-N 463.508 1.615 30 10 JDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 238812314 APHZOIYYMCYTHG-QGZVFWFLSA-N 457.512 1.053 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1Cc1ccccc1 514712401 BNURCLMOBDLBPB-UHFFFAOYSA-N 463.515 1.451 30 10 JDEE CCc1cccc(OC[C@H](O)Cn2c(NN=Cc3cccc(O)c3)nc3c2c(O)nc(=O)n3C)c1 606630055 LXEPNCZUVMODAA-GOSISDBHSA-N 478.509 1.990 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(CC(C)C)c2C)c(=O)n1C[C@@H]1CCCO1 917356517 ZNSMJVQQGKMGLZ-FQEVSTJZSA-N 468.623 1.968 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c1 1152319901 NMTMWTQBCGLSRG-IBGZPJMESA-N 455.602 1.618 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)c(C)c2)s1 1157123742 AAHZJVCGVAQSGA-UHFFFAOYSA-N 457.599 1.952 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCSC2)c1 1286312382 XDKVWRLXFVCUJX-VGSWGCGISA-N 489.623 1.104 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1286396526 QIUZCJRLYYOHFF-SFHVURJKSA-N 477.562 1.491 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(C)cc(OC)c2)CC1 1286485056 BTSPDKZZJRREOL-UHFFFAOYSA-N 464.570 1.845 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc([C@H](C)O)cc2)CC1 1286485470 MTGXZFCBGUCVJY-SFHVURJKSA-N 464.570 1.582 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(C)coc2C)CC1 1286487831 YRTJUGQTXKXJAS-HNNXBMFYSA-N 462.576 1.112 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1286646452 RDKYZYGQDQJKED-SJORKVTESA-N 459.563 1.693 30 10 JDEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286668253 XJFGFZQANVGTKG-LJQANCHMSA-N 479.585 1.897 30 10 JDEE C=CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNS(C)(=O)=O)C1CC1 1286733838 KFHSLDNVYSGOHB-UHFFFAOYSA-N 467.621 1.251 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1286786281 AUBOCYMZFLPONV-UHFFFAOYSA-N 464.530 1.646 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(O)CCSC2)C1 1286805083 QGQVQJWMIWHHIY-LAUBAEHRSA-N 464.613 1.998 30 10 JDEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1286835587 VUPLDJBYWUDZMS-UHFFFAOYSA-N 462.601 1.730 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 1292132860 DPTYLUHCFIEHKZ-HOCLYGCPSA-N 457.501 1.809 30 10 JDEE CCc1nnc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)s1 1292784511 DRTBMVVBMTYZFG-ZDUSSCGKSA-N 460.589 1.859 30 10 JDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](C(=O)Nc2cn[nH]c2)C1 1298225826 DALDLDLZWUAYCH-PBHICJAKSA-N 458.544 1.350 30 10 JDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1300410101 XBMWOCAUOONBRS-IBGZPJMESA-N 453.609 1.810 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1300489864 UMNCJPRCLDDELG-GAJHUEQPSA-N 487.582 1.067 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1ccc(C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1300492954 PTAYFNYNNXYFAR-IBGZPJMESA-N 499.572 1.183 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1300503212 BGVURWAYBWIVJT-SFHVURJKSA-N 472.546 1.910 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)OCCc2sccc21 1300672336 YWXNRFWLABQKIO-KKSFZXQISA-N 464.613 1.816 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2cnn(CC)c2)CC1 1300682969 UIRWKHULHKUOIF-UHFFFAOYSA-N 466.977 1.881 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2cccs2)N(C)C)CC1 1300729222 RCAOVQXSGPFJQV-LJQANCHMSA-N 483.642 1.731 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cnc(C)s2)CC1 1300732257 LDOAJWRGBVWOFX-HKUYNNGSSA-N 458.588 1.781 30 10 JDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1300760406 AMUVHBUHSLVSGG-KRWDZBQOSA-N 455.588 1.359 30 10 JDEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCNS(C)(=O)=O)CC1 1301086953 QCJYOEYLGNYBEG-INIZCTEOSA-N 470.596 1.292 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1301105750 NUBPMCQXFHKSAM-NVXWUHKLSA-N 476.594 1.647 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]2c2nncn2C)cc1 1301519793 YKCUQPZUDDJEOE-QFBILLFUSA-N 486.602 1.971 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2COc3ccccc3O2)C1 1301540024 YYEWWPSDLGHXDX-GVDBMIGSSA-N 463.560 1.510 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](COC)C1 1301576941 IUDSCDAYIDDMCS-GOSISDBHSA-N 457.556 1.946 30 10 JDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nccs2)CCN1S(C)(=O)=O 1302882115 ASWLXZKRTKVRMC-HNNXBMFYSA-N 457.585 1.986 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=C)Br)c1 1358901634 RIFHUTOLXLNZFE-CQSZACIVSA-N 495.403 1.853 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[C@H](O)C2)c1 1358902121 FQVGUQJDEXWXOM-SBHAEUEKSA-N 485.610 1.788 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1358957411 UFONFOINOIRYED-OLZOCXBDSA-N 492.048 1.278 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1358957565 VXNLMMLOZLGEDG-UGKGYDQZSA-N 476.603 1.151 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358965869 CTGWQUIJOLZOBN-OAQYLSRUSA-N 498.609 1.078 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1358967371 JFELOQXDUZWDDF-KRWDZBQOSA-N 462.572 1.917 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)N(C)C)c1 1358978520 OTGXJECGFJYXRC-FQEVSTJZSA-N 453.568 1.198 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)c(O)c2)CC1 1359040126 JAKKCAWIGZARSR-UHFFFAOYSA-N 466.542 1.242 30 10 JDEE C#CCSCCn1c(N2CCO[C@H](Cn3cccn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359062978 ZPOTWBYJQSJTNL-UGKGYDQZSA-N 460.604 1.787 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CCOCC2)CC1 1359091388 MQJGLLZCPIMJRC-TYPHKJRUSA-N 496.678 1.418 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1359092241 YOKDSFSDVHDHEF-XFKSJGNHSA-N 480.635 1.461 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1359150592 BRMAPNNWHADQIS-DLBZAZTESA-N 462.016 1.801 30 10 JDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O)C1CC1 1359251812 WODFVMUPBFQGTJ-SJORKVTESA-N 461.563 1.818 30 10 JDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1359285728 DTSYPWNKGXUETG-GOSISDBHSA-N 477.587 1.779 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1359291364 NTPUQRZAANSFNE-UHFFFAOYSA-N 473.553 1.188 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1359292250 LIPLUFPVTXKWBD-IAGOWNOFSA-N 456.547 1.786 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS(=O)CC1 1359326506 BQCOKMJEXOOLPL-UHFFFAOYSA-N 465.601 1.317 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1359334676 NRPGUJBHVHWDLT-UHFFFAOYSA-N 492.627 1.033 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1359336996 HUIQVBOCUUZIJN-GDBMZVCRSA-N 455.610 1.119 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1359343436 SWXOTITVYHZZPS-JKSUJKDBSA-N 453.634 1.594 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](Cc2cccc(OC)c2)NC(=O)OC(C)(C)C)CC1 1467814846 QFGUCRVCHOPDFU-HXUWFJFHSA-N 458.559 1.025 30 10 JDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1476166773 GVJBQUSIXCIUDB-INIZCTEOSA-N 455.558 1.134 30 10 JDEE COCCN1C[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](c3cccc(C#N)c3)C2)CC1=O 1504897768 HKBLBASPVWREOY-PZJWPPBQSA-N 495.584 1.361 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CCS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507633195 CHKUETRXKUOGJE-GOSISDBHSA-N 462.597 1.331 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1507738019 HZWKETQGQVQLOY-UHFFFAOYSA-N 482.633 1.534 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1507747533 XMNGPRKYIZZTGI-INIZCTEOSA-N 494.618 1.356 30 10 JDEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1507915073 SMSKOVVJSLKVCP-UHFFFAOYSA-N 485.614 1.876 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507915538 CEUWQSMXTUEPOO-IBGZPJMESA-N 478.663 1.527 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1507915897 GMJSLQLTSVIFRA-OTWHNJEPSA-N 451.637 1.939 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1OC)C1CC1 1507992751 ILGTZZSAARHCQR-HXUWFJFHSA-N 477.587 1.831 30 10 JDEE C=CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1508041865 OSXZNORABBGKEE-MRXNPFEDSA-N 496.634 1.511 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1508085462 UQEOPXQEXGPKGJ-UHFFFAOYSA-N 461.574 1.806 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1508138955 BCHPXVBPWRWRPG-RXVVDRJESA-N 486.598 1.972 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(F)cn2)CC1 1508142198 RGFYVVCLDABPTP-SFHVURJKSA-N 464.567 1.981 30 10 JDEE C[C@@H]1C[C@H](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CCO1 1512014529 BHWPJJVCRSHXQZ-MISYRCLQSA-N 480.635 1.946 30 10 JDEE CCO[C@]1(c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCC(C)(C)O)CCOC1 1516212875 FPBVOPIDYXQTGT-HSZRJFAPSA-N 455.563 1.684 30 10 JDEE C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1OC 1521997918 JEYFZNIJKDPKKR-XSBJJCPUSA-N 450.557 1.926 30 10 JDEE C#CCOc1ccccc1CNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 1529682233 IJBGPYLTEDAAHU-GOSISDBHSA-N 454.504 1.952 30 10 JDEE N#Cc1ccc(N2C[C@H](C(=O)NCCS(=O)(=O)N3CCSCC3)CC2=O)cc1Cl 1530383875 FLNBASALNVHXCC-CQSZACIVSA-N 456.977 1.059 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2c3ccccc3CC[C@H]2CNC(=O)OC(C)(C)C)C1=O 1531767583 KZUPBWUPRUJAKI-INIZCTEOSA-N 456.499 1.836 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1539203313 PIJBGOIBIVYQLS-HOCLYGCPSA-N 486.019 1.217 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1539206666 UFLZPPHGPZCDFO-PWRODBHTSA-N 458.584 1.862 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1539212165 SRYKJPFLSZPPKM-TZIWHRDSSA-N 452.584 1.785 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1539215813 JNUXENGZBTYATN-MRXNPFEDSA-N 486.623 1.572 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1cc(C)ccc1OC)[C@H]1CCS(=O)(=O)C1 1539215942 LRZRMUMBBPYVKM-FQEVSTJZSA-N 468.583 1.865 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H](OCC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539221110 NPSLJTWRZFWXON-SQNIBIBYSA-N 451.593 1.307 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1539231488 VXPMRNACWPRSDX-LJQANCHMSA-N 459.620 1.251 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539271507 DQSCYLOCBBOSFH-SFTDATJTSA-N 452.584 1.541 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCCC1=O 1539391492 DEQWDBQSYFANID-UHFFFAOYSA-N 464.570 1.771 30 10 JDEE C#CCN(CCOC)c1nnc(COc2ccc(Br)cc2)n1Cc1ncn(C)n1 1539422592 FRTZBYWFZNWGQE-UHFFFAOYSA-N 460.336 1.882 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC=CCO2)n1 1539424034 JMBTZKUJKIFQHB-ICSRJNTNSA-N 474.587 1.008 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)Cc1ccccc1 1540071301 DPKFMNCIGFXWFQ-GOSISDBHSA-N 452.602 1.808 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCSC1 1540146351 DOMIMMLTFJDKHC-PXNSSMCTSA-N 499.684 1.733 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)s1 1540200873 JJVBVACPDDUOHT-QGZVFWFLSA-N 455.606 1.668 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1540869248 GVNLQPMBOHCLAG-OALUTQOASA-N 456.522 1.856 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1540871009 BOIVMLBGPCNDEW-UHFFFAOYSA-N 452.567 1.242 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCC(=O)N2)C1 1540879725 MGVUWXZSWWXGAL-OPAMFIHVSA-N 474.587 1.360 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1542181851 MWKAYDHZYQNDMJ-UHFFFAOYSA-N 452.554 1.592 30 10 JDEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC(F)F)cc1OC 1547956767 CTTXFQXSLURMBZ-AWEZNQCLSA-N 450.446 1.462 30 10 JDEE N#C[C@@H]1CN(S(=O)(=O)NCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CCO1 1561371040 HMHXNVDFCFGNMM-QGZVFWFLSA-N 454.505 1.185 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCOCCN(C)C)[C@H]1CCS(=O)(=O)C1 1588034354 DOKXLBUQZJHCDS-IBGZPJMESA-N 466.007 1.803 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1588034621 JFYCSAFZFQEJMB-IWQHBPENSA-N 466.604 1.108 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccnc1OCCCC)[C@H]1CCS(=O)(=O)C1 1588049316 FAXIYRYXIWAEBY-IBGZPJMESA-N 481.582 1.984 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1C[C@H](Cc1ccc(F)cc1)C(N)=O)[C@H]1CCS(=O)(=O)C1 1588059595 QQFURBVSCBGIHU-ICSRJNTNSA-N 475.590 1.587 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2[C@H]2C[C@H](c3ccc(F)cc3)C2)CC1 1588741578 FJZOTOOMGQROHP-YVWKXTFCSA-N 460.579 1.901 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC(=O)NCCC)CC1 1588762889 OXDQXWNSEMDGCL-UHFFFAOYSA-N 456.547 1.252 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1588924332 ZOPLJECOYVOAJD-IBGZPJMESA-N 467.549 1.448 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H]2CCC[C@@H]2N2CCCS2(=O)=O)CC1 1588947875 XSEJEWFWJLBSKO-RTWAWAEBSA-N 490.674 1.647 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCCC1 1589216654 UJTMQLXZTNPFGI-DENIHFKCSA-N 464.636 1.479 30 10 JDEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1593712259 WXEIIIJKGRNQEK-CYBMUJFWSA-N 495.403 1.509 30 10 JDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1594693207 SZNXAUVTLXRXJH-UHFFFAOYSA-N 498.613 1.748 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1595405058 AIGNIXKCGWDJAE-MOPGFXCFSA-N 462.595 1.931 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1595496764 GONZTHKRUHBVHC-HXUWFJFHSA-N 495.628 1.779 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1595496910 KMKVHLSFNLTBOU-QFIPXVFZSA-N 495.584 1.983 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)NC[C@@H]2C1 1595517124 QDVLEHYMEDLZEM-CYBMUJFWSA-N 460.336 1.224 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCNC(=O)[C@H]1CC 1595830881 ISYVWPWQUKTXEF-MRXNPFEDSA-N 451.524 1.312 30 10 JDEE CCS(=O)(=O)NCCn1c([C@H]2CCOC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1617395171 HFECFRFUJGHZGT-FQEVSTJZSA-N 456.572 1.887 30 10 JDEE CN(C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)C1CCCCC1 1617555331 BLOCGPCRKKXQHF-UHFFFAOYSA-N 456.572 1.843 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc3ccccc3nc2Br)CC1 1623727310 CGAQYILAHIBPQR-UHFFFAOYSA-N 452.334 1.614 30 10 JDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(NS(=O)(=O)C(C)C)c(F)c2)c1 1660891705 GELILXSWTROTQM-UHFFFAOYSA-N 453.517 1.874 30 10 JDEE C#CCN(C(=O)NCc1cnn(-c2ccc(Br)cc2)c1)[C@H]1CCS(=O)(=O)C1 1680648432 DWNBBHPMBMSRBF-KRWDZBQOSA-N 451.346 1.967 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2cnn(CCOC)c2)c1 1689870558 ROURXOQIVPMASA-HXUWFJFHSA-N 476.541 1.177 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1689913820 VWTIYBQYNQFEET-DLBZAZTESA-N 452.625 1.679 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1689930500 SLDLTNUFNTUVOU-KRWDZBQOSA-N 477.591 1.274 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1689931555 BGILVKQLBXYNEI-NHCUHLMSSA-N 473.599 1.911 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCn2ccnc2C1 1689950867 DWQXZYGDEOKAAT-QGZVFWFLSA-N 453.572 1.724 30 10 JDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(N2CCN(CC)CC2)nc1)[C@@H]1CCS(=O)(=O)C1 1689980401 QZFKZDRGPFXXKL-OAQYLSRUSA-N 485.658 1.613 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOc1ccc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1689988958 ZKPICTJNGCHHOM-QGZVFWFLSA-N 475.962 1.433 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)c1ccco1 1690013701 ZDTXTWPCNDWNPS-UHFFFAOYSA-N 455.478 1.288 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1690115978 YDHUAYFBNDCNNL-GOSISDBHSA-N 456.978 1.849 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1690119340 AXVAPRZOESMSTN-XTQSDGFTSA-N 461.526 1.235 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCSC(F)(F)F)CC1 1690134769 FKWSCCAKPNHSFG-UHFFFAOYSA-N 458.510 1.733 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1690240678 JFHVRHLQOLLMND-HBGVWJBISA-N 471.558 1.895 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1690678396 VEIXDMQYUITTPU-JTSKRJEESA-N 488.564 1.779 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](OC)C1 1690723166 KCYVCIWMHAYQNF-KRWDZBQOSA-N 486.598 1.891 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1690727123 UHOFPVSPUJCZEB-UHFFFAOYSA-N 493.655 1.606 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCC2)C1 1690746975 PLCPGOIUISZHTP-KRWDZBQOSA-N 471.649 1.680 30 10 JDEE Cc1nc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)sc1C 1692948935 BTQQHQRAEQDSIU-SWLSCSKDSA-N 453.594 1.471 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCCS1(=O)=O 1705490578 MURGGHGCVLBRTB-INIZCTEOSA-N 469.571 1.168 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1705568205 JGBVLKMDRWJRJL-KRWDZBQOSA-N 485.570 1.162 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705592128 QNBBRBOPLMBAGO-HNNXBMFYSA-N 479.404 1.780 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(NC(=O)OC)c1 1705613037 USMIYHXMTQCMSB-GOSISDBHSA-N 476.559 1.297 30 10 JDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1705641407 DCPNTCTWUPTQNV-HSZRJFAPSA-N 465.646 1.681 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(CN2CCOCC2)c1 1705668813 ULPIVOYNNMWSTQ-NTKDMRAZSA-N 486.642 1.761 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705707677 PEQCXOMQKGPPEX-LEDOBFOHSA-N 497.662 1.818 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1705907120 AINPAVJFCOUJFN-IRLDBZIGSA-N 467.618 1.152 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](CC(N)=O)C1 1705933106 UOVVWNZSBIYNSH-MRXNPFEDSA-N 475.571 1.409 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)OC[C@H]2C1 1705933310 BPGYOICDEFHXFR-OAHLLOKOSA-N 481.962 1.849 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](COCC)C1 1705934484 NVDNRSFVEAWTGT-INIZCTEOSA-N 465.576 1.860 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1706878323 FVIRFGWOZIOJON-RDTXWAMCSA-N 460.626 1.232 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1711019349 CQJXKXFLBUCSBU-MRXNPFEDSA-N 499.519 1.213 30 10 JDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1711456012 GMUXDZNGGNRJIP-ZWKOTPCHSA-N 473.555 1.553 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CC[C@H](O)C1 1722296606 SMLYRIOSLOSIQB-WMQCIHAUSA-N 457.600 1.253 30 10 JDEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CCS(=O)(=O)C1 1722346176 OGZYXFWVCNPWGC-KRWDZBQOSA-N 457.325 1.466 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccnc1OCC(F)F)[C@@H]1CCS(=O)(=O)C1 1722362766 WFNJIHYSJAGYOP-QGZVFWFLSA-N 490.536 1.998 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1722363378 RUJNBAMHUIEACZ-LJQANCHMSA-N 453.572 1.642 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1CCCN1CCC[C@@H]1C(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1722363502 GDDSLJKAQDZRIG-HSALFYBXSA-N 478.663 1.361 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1722433635 CMXGGMXHXHFMEZ-XTQSDGFTSA-N 456.510 1.098 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC(F)F)c(F)c2)CC1 1722442129 XOFSEGGTKBCYTQ-UHFFFAOYSA-N 462.476 1.945 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)c2ccco2)CC1 1722449636 NEIWIJNRAHULPJ-XMMPIXPASA-N 496.593 1.736 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(C)COCCO2)CC1 1722450249 AYPOCQBYGMPHQX-VWLOTQADSA-N 483.569 1.637 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CS(C)(=O)=O)cc1 1722473975 KAOSLIWRQUFAKW-DENIHFKCSA-N 476.624 1.765 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1722519086 HLXODGCULMKIEL-KRWDZBQOSA-N 476.603 1.364 30 10 JDEE C=Cc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1722570697 HQTHTWXYOFBEDZ-SIKLNZKXSA-N 474.562 1.939 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C 1722667890 YFCAPDFRMHMDRR-DENIHFKCSA-N 495.603 1.930 30 10 JDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722682175 QRFRXRVSIQKKOX-AWEZNQCLSA-N 452.968 1.518 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1722700803 VEIUBRPLELZHRS-UHFFFAOYSA-N 463.590 1.239 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1722703295 YHKIXXYHXYWSQL-UHFFFAOYSA-N 465.558 1.726 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccc(O)c2)CC1 1722703346 ZVDIDRNNSONMLA-UHFFFAOYSA-N 450.547 1.474 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1722727237 MWYQKWNSASNQJS-ZWKOTPCHSA-N 453.609 1.516 30 10 JDEE C#CCCCCn1c(COCC)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1740580416 XLBDIWHKQSDWSZ-KZNAEPCWSA-N 481.619 1.745 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCNC(=O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1740625510 OHBLLCFXCMBHBU-GOSISDBHSA-N 485.541 1.658 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2c(C)cccc12 1740639498 CVCXVXPUSHVYJW-OAQYLSRUSA-N 480.594 1.716 30 10 JDEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1740712412 HRWOVOXMKBFOKR-UHFFFAOYSA-N 465.587 1.209 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN2CCOCC2)C1 1740738322 GGVSAGAXNLTSBR-JKSUJKDBSA-N 491.456 1.346 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1740788442 STWHRYRIKOQQEN-MRXNPFEDSA-N 480.566 1.473 30 10 JDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740792812 AIEAZPDQOADJMQ-REWPJTCUSA-N 467.618 1.845 30 10 JDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1740959469 WNBGFRZZYHIVKI-UHFFFAOYSA-N 451.575 1.835 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740962345 BAESVXHWTILQBD-KRWDZBQOSA-N 464.617 1.237 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](CN3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740964366 BFDJLCLAFKHDQT-RDPSFJRHSA-N 476.622 1.170 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740989373 KYTHURLKKLDYCP-FQEVSTJZSA-N 489.598 1.382 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1740991278 RUWIRKPCVJACSY-RYLXDESZSA-N 454.593 1.893 30 10 JDEE CC(C)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1741707206 BTMAGSZIPZMSEZ-JOCHJYFZSA-N 458.588 1.333 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)Oc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1748802166 MPZZZWIFKBQFPQ-OALUTQOASA-N 473.599 1.819 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1748810194 SWFXUQFWLBAFCS-SFHVURJKSA-N 473.555 1.423 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1748811677 JZYYWLPGJDIEJK-PXNSSMCTSA-N 460.585 1.275 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1748820117 ZKCOUOCTQVZQMS-MRXNPFEDSA-N 485.944 1.530 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1748824027 HMHAMRFDTMRDTA-ROUUACIJSA-N 461.588 1.443 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOc1ccc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1748824263 MNMDAVXUECHHHE-IAGOWNOFSA-N 465.963 1.884 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCC1 1748846914 MIPCTTFMWCGOOL-IBGZPJMESA-N 461.657 1.615 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(SC)CCOCC2)CC1 1748972329 GDHYSNRDXHYBQC-UHFFFAOYSA-N 455.588 1.593 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1749022993 OSIGJLZSWHEDCZ-HNNXBMFYSA-N 496.684 1.715 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1749034199 XNYNTNKEZIQGMU-MOPGFXCFSA-N 473.647 1.119 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCCC1 1749066217 HZBZGBWERFDSDB-WIYYLYMNSA-N 465.620 1.688 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749084848 XDTRAJORVIROGE-UHFFFAOYSA-N 498.426 1.278 30 10 JDEE C=C(Br)Cn1c(COCC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1749112599 MKFQZXVTWIYFKP-WMLDXEAASA-N 455.401 1.712 30 10 JDEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1749229356 JVRVBJKTNLMITM-ZWKOTPCHSA-N 478.594 1.846 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749658751 NXNXASPHFCBZOU-FQEVSTJZSA-N 459.348 1.869 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1749669081 HJJAVFKCLXQDNU-HZPDHXFCSA-N 479.990 1.794 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1749721391 IRWUDJCAEYTCLE-QAETUUGQSA-N 459.638 1.504 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)CCN1CCOC(C)(C)C1 1749729729 PWBCIQJNSXTHQJ-UHFFFAOYSA-N 450.609 1.431 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)C[C@@H]1CCCO1 1749730904 VGCODOPRIIPMKS-KRWDZBQOSA-N 486.598 1.798 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](N3CCCCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749740376 VEEARRYAIGPPES-NFBKMPQASA-N 481.663 1.984 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCSC1 1749805780 AAPFUFOKBIZZAV-DENIHFKCSA-N 491.639 1.573 30 10 JDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1760133796 QBTHZRLAMTXNMK-SJORKVTESA-N 456.576 1.982 30 10 JDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1760156121 VZOLVIKELOBMIS-UHFFFAOYSA-N 463.586 1.618 30 10 JDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 1760243208 YBSHKDFEHPDREX-IXDOHACOSA-N 461.588 1.907 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1760249515 NCQYUVDRGFXRJU-RTBURBONSA-N 495.646 1.913 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sccc1C 1760249925 VCMQAWCSDWXJLL-MRXNPFEDSA-N 453.590 1.115 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC1COC(C)(C)OC1 1760316071 LUETYJBLUMRNCO-JQHSSLGASA-N 471.624 1.705 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[S@@](=O)C(C)(C)C)CC1 1760401925 GCXQZXVXYXUMHH-NOVUIFNWSA-N 473.665 1.561 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1760517457 MSAZCAIJGFRQGD-OPAMFIHVSA-N 475.571 1.035 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)C1 1760521454 SWZMNNJNIRZHPK-UHFFFAOYSA-N 464.530 1.201 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1760558114 GPOXEJWHEMRARX-RBUKOAKNSA-N 473.599 1.735 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)cs2)CC1 1760559669 JYMTXJFGEOENPO-HNNXBMFYSA-N 471.678 1.899 30 10 JDEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1760662579 DEYRSJHRGMYPSO-LJQANCHMSA-N 456.572 1.604 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CCS(=O)(=O)C1 1761234889 FIXDYORDPHXQQF-QGZVFWFLSA-N 471.587 1.049 30 10 JDEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(C(N)=O)CCOCC1 1761872223 HYDCOECSXNJJQR-KRWDZBQOSA-N 452.563 1.667 30 10 JDEE CC(=O)NCCCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1 1858977467 MFZUPPUUDGZGFP-UHFFFAOYSA-N 471.539 1.045 30 10 JDEE COc1cc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCN2CCOCC2)ccc1O 1862557462 JRGVEGCIECRTSC-NRFANRHFSA-N 453.495 1.894 30 10 JDEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CN1CCN(c2ccccc2OC)CC1 1870355297 QURXGQQDWAUDAN-UHFFFAOYSA-N 470.570 1.243 30 10 JDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc2c(c1)OCCO2 1874335902 AMTRYCQRAFWFHM-WPZNHYQYSA-N 459.528 1.921 30 10 JDEE N#Cc1nccnc1OCC1CCN(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)CC1 1891738586 KOFHPGJENGLSAZ-UHFFFAOYSA-N 453.524 1.663 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255630718 ODMAARGCVYLMBF-ICNDJQDOSA-N 454.358 1.614 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2255843554 IHKLBGIMHSNDIW-QWHCGFSZSA-N 453.370 1.542 30 10 JDEE CC(C)(C)OC(=O)Nc1[nH]nnc1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256615263 SXVRAVOMOBAVNZ-UHFFFAOYSA-N 450.330 1.837 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)[C@H](CO)C1CC1 2267352783 MWFQRARGXHSOJR-QGZVFWFLSA-N 462.381 1.076 30 10 JDEE CC(C)(C)OC(=O)NCCN1CCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CC1 2267484141 DHZITTATDZBOLG-UHFFFAOYSA-N 466.413 1.725 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1O 2267518694 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Cc1csc(CNC(=O)C(CO)(CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2344195845 FUPDDJNUWSGFPV-UHFFFAOYSA-N 470.397 1.220 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)N1CC(B2OC(C)(C)C(C)(C)O2)=CCC1(C)C 2362680840 ZVAGJADZTUIOOZ-IXDOHACOSA-N 466.384 1.896 30 10 JDEE CC(C)(C)OC(=O)N1CCN(CCOc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C(=O)C1 2371999520 ZWMUTVGNGZUBTR-UHFFFAOYSA-N 465.331 1.978 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2(C)C)n1 2380427512 DZONPIVEJJJXFY-HNNXBMFYSA-N 484.428 1.786 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)CC1 512709686 DOQUUKKXXHLGGI-KDURUIRLSA-N 492.642 1.422 30 10 JDEE C#CCN(C(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 729335351 MHIJQDIRLIUYNS-LJQANCHMSA-N 453.586 1.068 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc3c(=O)n(-c4ccccc4F)c(S)nc3c2)CC1 758663182 NSTUOGACCNCKEW-UHFFFAOYSA-N 481.553 1.874 30 10 JDEE N#CC1=c2oc(=O)c(=Cc3cccc([N+](=O)[O-])c3)n2-c2oc(N)nc2[C@H]1c1cccc([N+](=O)[O-])c1 1084074440 VGOURTKCLRJNLP-KRWDZBQOSA-N 472.373 1.466 30 10 JDEE C=CC1(CC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CN(C(=O)OC(C)(C)C)C1 1137093160 STQOJQITZFPQPK-UHFFFAOYSA-N 454.549 1.462 30 10 JDEE N#CCCn1ncc(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1-c1ccccc1 1141827264 ARDJRINHHYCZLI-UHFFFAOYSA-N 456.506 1.966 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c1 1266525156 ICBARVOJZCGHIY-WBVHZDCISA-N 458.602 1.883 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)n1 1271205174 ZLKCFVGDYLQPKV-NRFANRHFSA-N 458.584 1.733 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1286388188 LSFSNYYAKHDEGB-IBGZPJMESA-N 469.958 1.994 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCOc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1286393718 GDXZUCQMTOQGER-LJQANCHMSA-N 489.573 1.635 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286466712 LVWQFQLZFVHSDR-INIZCTEOSA-N 467.542 1.515 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCOCC)CC1 1286489931 DJVHJWINFNHQPV-UHFFFAOYSA-N 463.542 1.194 30 10 JDEE C=C(Br)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286543005 PQJNNIIZBACDDV-INIZCTEOSA-N 489.374 1.530 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286561643 CHWKIMMNZDPXDQ-RDPSFJRHSA-N 487.649 1.372 30 10 JDEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nn(C)c(=O)cc2C1)c1ccccc1 1286677836 KUNOKFKYMXUDCB-PKOBYXMFSA-N 497.625 1.905 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@H](C)CC(N)=O 1286783069 FUHZRKUVAVXURV-GFCCVEGCSA-N 465.352 1.719 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC2(CCCCC2)C1 1286791180 OXBCEBMPXHQBHQ-KRWDZBQOSA-N 498.675 1.169 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)COC)CC2)nnc1C1(c2ccccc2)CCC1 1286825158 MSACVHKLWSMZGX-UHFFFAOYSA-N 487.626 1.644 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)CC1 1286825740 WNBLSVJJGYQZLC-INIZCTEOSA-N 487.648 1.520 30 10 JDEE COc1ccc(CC(=O)Nc2nc3ccc(C#N)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 1287394670 ICHQZJWGCXVNEI-UHFFFAOYSA-N 455.496 1.645 30 10 JDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)C)C1 1296328948 GTZYREWKXXQCGE-SFHVURJKSA-N 459.576 1.249 30 10 JDEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1300345337 TZEBRYSXKDUMTI-UHFFFAOYSA-N 482.976 1.869 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccccc1OCCN(C)C)[C@H]1CCS(=O)(=O)C1 1300488839 WWYZDXKFISZMQT-NRFANRHFSA-N 496.637 1.899 30 10 JDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1300703400 IOPSABGYECIOKZ-UHFFFAOYSA-N 481.601 1.887 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1300815955 DNCVDNNICHZCHX-JOCHJYFZSA-N 469.567 1.661 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300879350 CRUJYCVUZSZEHN-UGKGYDQZSA-N 453.591 1.968 30 10 JDEE C#CC[C@@H](COC)NC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1301822484 IANHRLWNRSRKHO-AWEZNQCLSA-N 456.337 1.904 30 10 JDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(OCCN(C)C)c2)n1 1304762311 HABRLWSWKOBJER-JOCHJYFZSA-N 464.574 1.857 30 10 JDEE C=C[C@H](C)ONC(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1312950172 HUVMPCTTYWWWEP-HNNXBMFYSA-N 455.537 1.963 30 10 JDEE COCc1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)c1 1315855149 BJCPBZNSOPAZCD-OAQYLSRUSA-N 488.614 1.936 30 10 JDEE C=CCOCCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1353255822 GLHHWGZKBOSJBF-UHFFFAOYSA-N 453.561 1.465 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(F)cccc1F 1358891064 ZATBEURKBAMECQ-KSSFIOAISA-N 453.515 1.590 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1cc[nH]n1 1358891768 MFMMTDVEJOIZPQ-DOTOQJQBSA-N 472.550 1.198 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1358930185 PQNFUZPOWBAUJE-KKUMJFAQSA-N 465.498 1.180 30 10 JDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCNC(=O)c1cc[nH]n1)[C@H]1CCS(=O)(=O)C1 1358956642 ITJPLAZLAQBVOL-PMACEKPBSA-N 495.609 1.600 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1COc2ccccc21)[C@H]1CCS(=O)(=O)C1 1358957092 PMTTYFSBTXNVTC-FHWLQOOXSA-N 474.583 1.805 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1359097044 KMDHYQWHOJKENK-KXBFYZLASA-N 487.586 1.561 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(F)cc2)CC1 1359287760 UKUYATLMOFFOCF-GOSISDBHSA-N 450.540 1.263 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1359295739 MGAPUXSCYSROIW-UHFFFAOYSA-N 475.981 1.120 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1359303640 WCXSISZOTNVOOV-UXHICEINSA-N 452.559 1.622 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1359304217 QIVSJFXEIGMXPW-UHFFFAOYSA-N 486.621 1.303 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1CCCO1 1360703771 CWUQIKAIXMHRAG-NVXWUHKLSA-N 477.566 1.405 30 10 JDEE COc1ccccc1[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1nccn1C 1440870021 AVBKQXJPGJYVMH-FOIQADDNSA-N 453.524 1.873 30 10 JDEE N#Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NC[C@@H]2CCCO2)[nH]1 1446526844 HTSFCVRXRMVFTR-INIZCTEOSA-N 459.528 1.750 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)CC1 1467038316 DIDVXOITQRRYBL-UHFFFAOYSA-N 455.512 1.629 30 10 JDEE C#CCCCn1c(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507598678 GXRBBDKHEOBZIL-SQJMNOBHSA-N 472.634 1.865 30 10 JDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCCN1CCC[C@H]1CO 1507611936 QHZCVOWLTSZIMW-SFHVURJKSA-N 459.620 1.545 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)COc1ccccc1OC 1507617315 SVXIXQGKXFRGKE-PXNSSMCTSA-N 477.587 1.404 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1507627771 TYLKMVXNDCSBDU-ZBFHGGJFSA-N 484.420 1.955 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCOCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507631320 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C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccs2)CC1 1508130259 HIOSMOUFYUHEBR-UHFFFAOYSA-N 452.606 1.405 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](CC)C1 1508135543 MOFNOLMLMFLTDI-GOSISDBHSA-N 497.643 1.411 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1508148457 HTFNQISNIDEWAG-HSZRJFAPSA-N 493.605 1.898 30 10 JDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1508709131 HXAVLQWPERUQOA-BSWQBHCVSA-N 497.575 1.902 30 10 JDEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1518868782 BTQBGBWJCIYIGN-IBGZPJMESA-N 474.587 1.627 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)C1CCCCC1 1539013448 ISEOSYNIGSKPKT-AZUAARDMSA-N 466.652 1.724 30 10 JDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCS(=O)(=O)CC 1539117102 SSSKRUGUDRDUIM-UHFFFAOYSA-N 452.606 1.523 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539220045 HFXAWHKOEZAFJC-BBWFWOEESA-N 494.618 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10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCC(OC)CC1 1705844161 WWRWRUBALQBZTE-SFHVURJKSA-N 470.640 1.123 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1705928673 HAPDFCLEVZHBSM-SIKLNZKXSA-N 473.555 1.060 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC2(CC2)C1 1705946281 DFQCRIFGLCTQJR-INIZCTEOSA-N 457.622 1.147 30 10 JDEE CC(=O)Nc1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1706007009 DSEUEHGGYHNWNQ-LAUBAEHRSA-N 460.535 1.823 30 10 JDEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1709441746 BBTLXADQPYUJSY-RUZDIDTESA-N 481.601 1.349 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722370913 FSVQELRGJVXNSN-LJQANCHMSA-N 473.599 1.661 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCS(C)(=O)=O)CC1 1722438381 WWWLZYXVFBXGMU-UHFFFAOYSA-N 494.662 1.583 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1722566640 WDXHTKZOZNYCAM-HXUWFJFHSA-N 496.678 1.657 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2cccc3c2[C@@H](CCC3)C1 1722690040 DELQGUDPEFIIKA-YJBOKZPZSA-N 458.588 1.631 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1722692653 UFCTVWHMLHUJBC-UHFFFAOYSA-N 470.549 1.529 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1722698025 BGTHOSRHJCNPKY-DLBZAZTESA-N 458.567 1.474 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1722700374 GTUXOSFCVXFUTO-UHFFFAOYSA-N 464.530 1.261 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCS(=O)CC1 1722723679 CBFBOZIRKVNMNU-OAHLLOKOSA-N 456.565 1.727 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(C)ccc21 1722724206 QHLVOMSXFGCFPG-OAHLLOKOSA-N 453.590 1.492 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)N(C)C1CCCCC1 1723611857 FEQZTLFUDZARPV-UHFFFAOYSA-N 493.616 1.801 30 10 JDEE CCOC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1728727797 AZLBFPKJDWWGKI-SFHVURJKSA-N 473.603 1.589 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CC=CCO2)c1 1740564235 FZGSCPHHBAKFRW-AZUAARDMSA-N 469.567 1.582 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccnc1OCCC)[C@@H]1CCS(=O)(=O)C1 1740621599 OBHSHHNIPRNQQV-LJQANCHMSA-N 469.571 1.537 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740624241 FBGKRNXIARLGOM-FPOVZHCZSA-N 487.626 1.225 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCC[C@H]2C)CC1 1740689833 IXXHGTZEWWOUJB-HXUWFJFHSA-N 450.591 1.945 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCN(C)S(=O)(=O)CC)CC1 1740692068 RPNPBJUKBGQVSS-UHFFFAOYSA-N 458.632 1.934 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)COC)CC1 1740696433 UMRYRZDPXOFJCW-MOPGFXCFSA-N 462.595 1.624 30 10 JDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740749920 HYIMCVLBHYENKB-WMZOPIPTSA-N 485.427 1.557 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1740863633 BUIHNOWMTZJBFN-PKOBYXMFSA-N 463.608 1.695 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cnn(C)c2)CC1 1740888504 UCVODGCTVFXUGO-HXUWFJFHSA-N 493.634 1.321 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC1 1740917858 HPXYYIYCINHVGX-UXHICEINSA-N 461.588 1.840 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(C)(=O)=O 1740931819 WIBPTAWBMWWRRL-MRXNPFEDSA-N 455.581 1.810 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1740957316 JOSKGKTVRHKTMJ-FQEVSTJZSA-N 451.531 1.785 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccc(Cl)cc1 1740959909 HDNUQHSSFRQZFL-HNNXBMFYSA-N 467.979 1.651 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(OCC2CC2)CC1 1740985831 MSYKLUUNWAVFJV-UHFFFAOYSA-N 451.593 1.510 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740992215 CQKLFFRXVRCPLX-SFHVURJKSA-N 467.617 1.268 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCN1CCCC1 1744086074 AYBAEBYTMDAPJJ-UHFFFAOYSA-N 496.664 1.923 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1748801700 DRPCOKFUUUBQEG-LJQANCHMSA-N 458.588 1.379 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CCCN1c1cc(NC)ncn1)[C@H]1CCS(=O)(=O)C1 1748804461 IBISZHRFSIURBF-QRVBRYPASA-N 486.646 1.919 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](C)CN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1748808047 HBHLQJWVJZLVFK-CTNGQTDRSA-N 488.658 1.747 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN1CCCCCC1=O)[C@H]1CCS(=O)(=O)C1 1748811142 CFKFBXZHLDUNHH-SFHVURJKSA-N 458.588 1.693 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748812372 UPPJZJACPQJXTJ-CTNGQTDRSA-N 483.573 1.804 30 10 JDEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1748824045 HSWWKEFWSMZERV-RDGPPVDQSA-N 493.630 1.855 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCC(=O)NC2CC2)CC1 1749006063 HKCZXXMPIZPZHI-UHFFFAOYSA-N 464.570 1.978 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC2(CS(C)(=O)=O)CC2)CC1 1749010785 PXIDTOQGGOJZFO-UHFFFAOYSA-N 456.572 1.131 30 10 JDEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)NC[C@H]2C1 1749039218 QWAYMSLSAJHTSF-MSOLQXFVSA-N 489.646 1.973 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1749115178 MRNXREYFNRBBSP-UFYCRDLUSA-N 495.646 1.525 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC[C@H](O)C2)CC1 1749342885 RBSJGIAOXBUKQV-FHWLQOOXSA-N 453.609 1.565 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1749427101 KYGSOHJVRPMSSN-SFHVURJKSA-N 451.593 1.222 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1749630711 ZROCQMXHYQRSME-VQTJNVASSA-N 460.604 1.508 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1749671053 YJEHKWCNIVRZTM-MRXNPFEDSA-N 461.544 1.238 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(N2CCCNC2=O)CC1 1749726749 CVDFWSRAFMHHHW-UHFFFAOYSA-N 494.021 1.978 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1749729678 OAFFULVZMNHOOB-UHFFFAOYSA-N 478.516 1.907 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1749737011 WCXGVQMDXKEDCX-UHFFFAOYSA-N 471.587 1.483 30 10 JDEE C#CCCCCn1c(COCC)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1760142821 NUGHYZXMXZCKAS-UHFFFAOYSA-N 454.579 1.571 30 10 JDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1760152990 DXORNDPHJTZSOZ-ZCNNSNEGSA-N 455.607 1.269 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCNC(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1760184001 FYWSZGCFXSKYMQ-INIZCTEOSA-N 470.580 1.458 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCCCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1760184852 MSXAXJYOVCQWBD-QGZVFWFLSA-N 482.603 1.926 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1760186496 NYSUANCZHLXPAM-FQEVSTJZSA-N 453.572 1.486 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1OCCN(C)C)[C@H]1CCS(=O)(=O)C1 1760188714 LYYXPCWDIJMDQG-FQEVSTJZSA-N 495.609 1.351 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCNC(=O)c1occc1C)[C@H]1CCS(=O)(=O)C1 1760188918 RBVFANRYGIMHOO-ROUUACIJSA-N 475.571 1.130 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1760192454 URQSYFSDHMJKHU-IBGZPJMESA-N 460.604 1.726 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1 1760241876 NFLNLXOEEXPPEB-OFNKIYASSA-N 491.589 1.551 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1760259075 GHRYXVAEEMKJQP-OAQYLSRUSA-N 457.600 1.542 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[S@@](=O)CC)CC1 1760263826 QGFHRSBKQKVLBI-OKJTYZQLSA-N 464.636 1.573 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1760271307 TYOJJZAVFYCHDI-RUZDIDTESA-N 499.015 1.927 30 10 JDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NS(C)(=O)=O)CC1 1760314034 STYOSKAQNKXWAT-ZFWWWQNUSA-N 478.413 1.429 30 10 JDEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1760341308 RUCYCIXXUNYTRV-UHFFFAOYSA-N 493.572 1.190 30 10 JDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1760424959 AJYLIRYLMFZCNT-NHCUHLMSSA-N 459.639 1.817 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1760515004 JDMHSPYQPAVLAB-CQSZACIVSA-N 462.352 1.539 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760556425 DBRSOLLVCRBBPO-QGZVFWFLSA-N 477.612 1.574 30 10 JDEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1760558453 PLEQVBDPHSJENH-INIZCTEOSA-N 463.585 1.909 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1766699253 HJMXTSRABDFVCF-MRXNPFEDSA-N 486.602 1.459 30 10 JDEE COC1CCN(C2(Cn3c([C@@H](C)NS(C)(=O)=O)nnc3N(C)C[C@H](C)C#N)CCCC2)CC1 1769074239 HUNDHXFHWSGNMX-QZTJIDSGSA-N 481.667 1.908 30 10 JDEE C=CCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1861599879 NTMOPNHYRSWPBE-PXNSSMCTSA-N 467.497 1.995 30 10 JDEE C=CCn1cc(OCC(=O)Nc2ccccc2C(=O)OCC)c(=O)cc1CN1CCN(C)CC1 1870391354 QBWIJECUYKSMAS-UHFFFAOYSA-N 468.554 1.976 30 10 JDEE C=CCn1c(C(=O)NCCOCCO)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873595182 RVVBGVYIQUJHRQ-UHFFFAOYSA-N 480.569 1.691 30 10 JDEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3/N=C/c3ccc(O)cc3)CC2=O)cc1 1874199695 USEYFCMXTWCWGA-SWKNLOBNSA-N 466.523 1.972 30 10 JDEE COCc1nnc(SCCO)n1/N=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1874505158 CWXXZOUPOYWSCQ-KGENOOAVSA-N 451.549 1.111 30 10 JDEE C=CCNC(=O)c1nc(C(=O)N2CCN(Cc3nnnn3-c3ccc(C)cc3)CC2)cs1 1890917732 JFCDFMFMMNLCFG-UHFFFAOYSA-N 452.544 1.301 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2255643194 QIOJLYRVPREAAE-CYBMUJFWSA-N 453.370 1.808 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CO1 2256626299 IKHGEMDCKJPQBQ-RYUDHWBXSA-N 454.358 1.222 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@@]1(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256670930 LOXNVOAEJRGRCJ-IBGZPJMESA-N 454.358 1.224 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@]21C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256676363 WVPGEYIFWRRSPE-ODXCJYRJSA-N 450.370 1.987 30 10 JDEE Cn1ncc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c1B1OC(C)(C)C(C)(C)O1 2267009294 LEULYBJIAZWVJU-GFCCVEGCSA-N 462.278 1.905 30 10 JDEE CC(C)(C)OC(=O)NC[C@@]1(O)CCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267100067 PYKODDQTOHEVLO-NRFANRHFSA-N 450.345 1.201 30 10 JDEE CC[C@](C)(CNC(=O)OC(C)(C)C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267270980 OQRIDKWEPCCSTK-OAQYLSRUSA-N 451.377 1.880 30 10 JDEE Cn1cc(C(=O)N(CCO)CCCNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267503295 BJDDDPJIXKKSKH-UHFFFAOYSA-N 452.361 1.069 30 10 JDEE CC(C)(C)OC(=O)N1CC([C@@H](F)CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267550251 XAXDVCSMLJFSDU-HNNXBMFYSA-N 450.320 1.711 30 10 JDEE CN([C@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267710023 MJLIHGMAHIXGRG-AWEZNQCLSA-N 470.401 1.349 30 10 JDEE CC(C)(C)OC(=O)N1CC(CCO)(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2267726593 CFDRYMXDSVZFLZ-UHFFFAOYSA-N 488.437 1.698 30 10 JDEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268631013 RSHQNJNNVZTSLT-GFCCVEGCSA-N 468.385 1.612 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268649642 DWKQDFZPGYCPLG-ASSNKEHSSA-N 467.397 1.988 30 10 JDEE CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268654537 APGRNJAKGCRKLA-KIFPSNHUSA-N 467.397 1.724 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CN(c3cccc(B4OC(C)(C)C(C)(C)O4)n3)CCN2C1=O 2281488246 NANSYALZFXXVNA-JKSUJKDBSA-N 458.368 1.695 30 10 JDEE CCn1cc(C(=O)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282032101 BMUNYIYRIYXZDC-HNNXBMFYSA-N 466.388 1.502 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC23CC(CNC(=O)OC(C)(C)C)C3)n1 2282058179 QBRSDTFDSOWWIU-UHFFFAOYSA-N 461.372 1.634 30 10 JDEE Cn1[nH]c(CCNC(=O)OC(C)(C)C)nc1=NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2282622393 FMDCGPMJUILZBH-UHFFFAOYSA-N 461.328 1.449 30 10 JDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2283946185 KJIKDJTVUIBJRC-INIZCTEOSA-N 459.352 1.644 30 10 JDEE CC(C)(C)OC(=O)NCc1cn(CCNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)nn1 2287190474 YRYLGACBKOZHEH-UHFFFAOYSA-N 461.328 1.625 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCOC[C@H]1NC(=O)OCc1ccccc1 2337204990 SHULKQLWOQGYRJ-ZWKOTPCHSA-N 484.362 1.533 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NC(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2337338631 MCUKWFHBEDJZON-YPENRWOSSA-N 465.381 1.997 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3CNC(=O)OC(C)(C)C)n1 2359266670 NIPCRHVFMRTWNN-KFWWJZLASA-N 461.372 1.632 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2361542158 KTTUVGZDSSSGJA-AWEZNQCLSA-N 461.372 1.491 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)Nc3ccc(C)cc3)c2)CC1 33233801 SXHQGOQGXPYSPN-UHFFFAOYSA-N 486.594 1.864 30 10 JDEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccn2)cc1OC 102691401 GGJDVPMZSQEAGU-AGGMBTAESA-N 453.495 1.853 30 10 JDEE CON[N+](=O)CC(=O)N1CCCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 585088920 KZGTUYOHMAZYDJ-OAQYLSRUSA-N 463.536 1.770 30 10 JDEE CC(=O)N[C@@H](CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1c(F)cccc1F 608930678 GDJNWBRWROHVIP-IBGZPJMESA-N 476.505 1.937 30 10 JDEE C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCC[C@@H](C(=O)N4CCOCC4)C3)nc12 874066842 KCOCXKRDZIAEOX-QGZVFWFLSA-N 468.583 1.894 30 10 JDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)c3cc(C)n(-c4cccc(C#N)c4)n3)CC2)cs1 1128586198 AHBMDNWRXQLCMJ-UHFFFAOYSA-N 456.553 1.964 30 10 JDEE C#CC[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1)C(=O)OC 1161356907 GLHRMLLMCOYQSE-FQEVSTJZSA-N 457.508 1.418 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sccc1Br 1286297060 UPOJYGDUPBQSTC-JSGCOSHPSA-N 488.433 1.941 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1286318019 SKFRQVCLZOTHSX-HZPDHXFCSA-N 454.597 1.795 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CCS(=O)(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1286387279 PRFRYRPKKUDXNT-GOSISDBHSA-N 479.628 1.208 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1286397944 DUJBKVNKMZJNEZ-SOAMZJECSA-N 491.658 1.738 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ncnn2C(C)(C)C)CC1 1286488937 YXFSGOGUTCCFBG-VWLOTQADSA-N 498.632 1.679 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1286493646 IBTCCGHEBUHQIS-HSZRJFAPSA-N 479.629 1.587 30 10 JDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1286706333 MXYRGADFMLUCEC-OXJNMPFZSA-N 457.597 1.255 30 10 JDEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCS(=O)(=O)N1CCSCC1 1286721300 QRPAWNXGGLASSE-UHFFFAOYSA-N 467.617 1.963 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)NC)CC2)cc1 1286797661 YRMZCLFVTMUEBN-SFHVURJKSA-N 474.587 1.255 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCS(=O)(=O)C2)C1 1286813400 ULQJVECBWPQMPF-HZPDHXFCSA-N 465.601 1.486 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1286818793 OGUDQZZMCSCXOV-SFHVURJKSA-N 463.604 1.906 30 10 JDEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(=O)N(C)C[C@@H]1C 1286829385 YASQUWDZYGBUMS-HNNXBMFYSA-N 463.633 1.824 30 10 JDEE CC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H](C)C1 1286882700 DJXOHMBQFIKEHA-KJXVGZKYSA-N 481.532 1.591 30 10 JDEE CC(C)NC(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1288199471 GYCKYBBLWJUZGR-HKUYNNGSSA-N 467.578 1.811 30 10 JDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1288506356 GVAVOHNWTYISKO-NVXWUHKLSA-N 480.616 1.511 30 10 JDEE CCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1293104933 FZLHJOWSXFYRCP-QFIPXVFZSA-N 464.618 1.981 30 10 JDEE CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CC1CCS(=O)(=O)CC1 1298328214 GFWUAEUVEXFGDU-UHFFFAOYSA-N 456.572 1.733 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCCS(C)(=O)=O 1300304394 NHFVDOTWFJISQE-INIZCTEOSA-N 456.572 1.865 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1csc(C)c1)[C@H]1CCS(=O)(=O)C1 1300479549 OXCQCNBWBVHOMM-KRWDZBQOSA-N 470.580 1.970 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(OC)CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300480058 XHFCDHYHOMHXGQ-WUZYXKQASA-N 465.620 1.638 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1300483171 JDNUTOOLXKWTBD-XMSQKQJNSA-N 475.571 1.009 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1300489437 OBWQOJBRPGKZCW-HNNXBMFYSA-N 487.003 1.278 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1300501995 OQAXLSCALJWKED-QFIPXVFZSA-N 483.638 1.961 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCS(=O)(=O)CC1 1300643639 UCVMMOLYVNJCJY-MRXNPFEDSA-N 497.618 1.492 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1300718462 PEZMFIPFKJDCJJ-IBGZPJMESA-N 480.594 1.607 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1300848820 IZTQFIJBLZSOEK-BLLLJJGKSA-N 460.354 1.120 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1301018078 ULWPHYYPUOAPGY-LXIYXOSZSA-N 460.988 1.744 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1301475800 YUNDSEASTFUMDJ-UHFFFAOYSA-N 461.473 1.169 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1301578737 HDTRIUNPILQCKW-UHFFFAOYSA-N 472.546 1.976 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1301578914 KGVXFGWTWQXUTJ-QGZVFWFLSA-N 458.544 1.556 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](C)(C(=O)NC)C1 1301587160 REOGQAPEMUIAIF-QFIPXVFZSA-N 471.587 1.080 30 10 JDEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CC#N)CC1 1301774305 CMMIIPVICXOPIW-SFHVURJKSA-N 450.547 1.631 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2C)CC1 1302924486 NCGYFIUCJKDXQO-UHFFFAOYSA-N 455.462 1.425 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(F)(F)F)cs1 1358889349 AMHAKMRERZYJHI-VXGBXAGGSA-N 478.522 1.593 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2snnc2C)c1 1358900346 INWSVVSRVCPXAF-UHFFFAOYSA-N 464.555 1.779 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H](C)N1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1358965035 MSHTXKLVLSZRLP-VWNXMTODSA-N 498.697 1.830 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C)nc(N2CCCC2)c1 1358994659 SWBIAXUAOKOSDD-OAQYLSRUSA-N 466.611 1.995 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@]2(O)CCN(C)C2)CC1 1359031641 JYBLFKKMMJTUQV-JOCHJYFZSA-N 489.418 1.538 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1359038102 KPFJCLWSMGCCCS-GOSISDBHSA-N 459.595 1.411 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)CN2CCCC2)CC1 1359042232 XIVSTUCXMIGZEF-CPJSRVTESA-N 472.634 1.628 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCn2cc(CO)nn2)CC1 1359046314 NCZQCGAHTWXPIK-UHFFFAOYSA-N 480.548 1.148 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1359329063 XPOAHJKLPVPFBB-VGSWGCGISA-N 457.556 1.802 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359333263 RZMPEKROJDHVMK-APWZRJJASA-N 496.611 1.405 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359335255 GCSDKHQNZLDHOY-KRWDZBQOSA-N 477.587 1.524 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H]1COCCO1 1360237471 GODTWBDUTGEURS-INIZCTEOSA-N 457.510 1.169 30 10 JDEE Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1c(C#N)nnn1Cc1ccccc1 1437519960 ARPSTDAXFJRORJ-UHFFFAOYSA-N 453.528 1.963 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2(CO)CCN(C(=O)OC(C)(C)C)CC2)c1 1451284128 UYNBMEOCNWOMBE-UHFFFAOYSA-N 453.561 1.643 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(n3ncc(C(=O)OCC)c3C)CC2)cc1 1467915867 OQMODWYLIAAVJG-UHFFFAOYSA-N 458.540 1.757 30 10 JDEE CCC[C@H](C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1500000066 IEVYIDXBZKYPRE-ZWKOTPCHSA-N 467.574 1.948 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(F)cccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1507633678 UMWOIRXYFDZPDF-CJNGLKHVSA-N 497.499 1.645 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1507691031 ZMASDMIWJSTLLL-RBUKOAKNSA-N 461.588 1.615 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCS(C)(=O)=O)CC1 1507735127 LDNSZZRTLGGNSV-UHFFFAOYSA-N 450.952 1.004 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCc2nnc(C)s2)CC1 1507739603 JIUNXHOEHPLIHA-UHFFFAOYSA-N 450.572 1.632 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COc2ccccc21 1508039459 OHJRGOWCLPFNKU-PXNSSMCTSA-N 477.587 1.426 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1508142236 RLUGSHKMTMKXRJ-MOPGFXCFSA-N 468.620 1.795 30 10 JDEE CC(C)[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1512364657 DZOMDGRZMYHSNE-GAJHUEQPSA-N 467.578 1.184 30 10 JDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@H](SC)C1 1517625448 FFVUAVPFTXLRFB-SFHVURJKSA-N 464.617 2.000 30 10 JDEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)c(OC)n1 1518264699 BEPZNSIYFGITKS-UHFFFAOYSA-N 497.581 1.795 30 10 JDEE COCCN1C[C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)CC1=O 1519190561 CRCANQYUVOVGPH-RBUKOAKNSA-N 451.531 1.232 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(C(N)=O)nc1 1538963360 CPCQSCFUXFXUCJ-AWEZNQCLSA-N 451.918 1.862 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1539072268 OJRGJOXAQFKJDR-GOSISDBHSA-N 495.650 1.045 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1539203049 NBRKEPSJNPAMKF-WCAVRKLYSA-N 492.573 1.989 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1539231382 VCPYYQMSRUGWBB-LJQANCHMSA-N 487.626 1.977 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCOC2)CC1 1539446244 AEAWLMVYYCLAEY-YADARESESA-N 474.606 1.299 30 10 JDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1539454138 XNVPKJNLAPCNDZ-UHFFFAOYSA-N 464.595 1.612 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@H](C)COC)CC1 1539477643 UFHICELKYMRKDO-MRXNPFEDSA-N 463.542 1.842 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCO[C@H]1C 1540139766 LXMGQUAXWBUAPN-YZVOILCLSA-N 455.606 1.682 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1540862884 LMNBBMZBSZIAGB-MRXNPFEDSA-N 456.522 1.966 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1540901102 SKNPCFGQCREEDV-RXVVDRJESA-N 489.646 1.253 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1540916238 UOXAYYZUQSHNHF-SFHVURJKSA-N 456.572 1.816 30 10 JDEE COC[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1555231086 GLGXCUGMXFJUJO-LJQANCHMSA-N 467.574 1.080 30 10 JDEE C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)[C@@H](N)CCC(=O)O 1565535536 PMBTXCFVSKWSHR-ZVZGRCEKSA-N 491.581 1.525 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1588028841 AEAISMAPFPEYKA-FUHWJXTLSA-N 487.561 1.844 30 10 JDEE 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JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1595593324 AHRKZAUEFSWLCJ-HXOBKFHXSA-N 457.531 1.552 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1595772433 AJKFQMUROBNPBQ-FOIQADDNSA-N 467.979 1.979 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1595798535 QDMWWZHKVZYHFW-AEFFLSMTSA-N 492.598 1.844 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2cc(C)on2)CC1 1595830832 IEVBLPRJTFRNMQ-GOSISDBHSA-N 450.565 1.349 30 10 JDEE COc1cccc(CC(=O)N2CCc3ccc(NC(=O)Cn4cc(C#N)c(O)nc4=O)cc32)c1 1611498191 HPUPMJOHNVRLSO-UHFFFAOYSA-N 459.462 1.600 30 10 JDEE C[C@@H](CN1CCCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1611612888 IBSQXOMWGHPMAI-IBGZPJMESA-N 487.630 1.542 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1ccc(N(C)C)nc1 1611664343 CCPLUKVQWOYDMG-MRXNPFEDSA-N 468.587 1.906 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)CC1 1628146343 FXKQJTRHYUWUJQ-QFIPXVFZSA-N 451.489 1.938 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1.864 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C2CC2)N(C)C)CC1 1705781662 FQRACZUQHPJUFZ-RBUKOAKNSA-N 452.625 1.354 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1705819820 VFMCCQGBJMRODQ-MRXNPFEDSA-N 462.576 1.842 30 10 JDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705898006 YTURSBDXGJWICR-TZIWHRDSSA-N 479.585 1.889 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1705902097 GIIQPCBHEBFLSR-UHFFFAOYSA-N 487.568 1.943 30 10 JDEE Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)c(F)c1 1707499906 HNFCANTYMKVDEI-FXAWDEMLSA-N 466.514 1.549 30 10 JDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1 1711427763 AFPXHHGREMNHRU-GOSISDBHSA-N 452.515 1.488 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(c2ccncc2)CC1 1722296005 MTYAQUKMACDVRL-RXVVDRJESA-N 487.630 1.381 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 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1286277546 DZVRNVOFZBDYQA-JKSUJKDBSA-N 453.590 1.210 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2CC(=O)N(C)C)c1 1286308019 DFXJNAIDGUBNMN-UHFFFAOYSA-N 453.547 1.341 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1286391430 ILALHRGRCJXOHX-QGZVFWFLSA-N 480.019 1.811 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286427827 NDWSCIDSSMGPQQ-QGZVFWFLSA-N 461.538 1.892 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(C)=O 1286428306 ROEVMTXWEXJGCA-IBGZPJMESA-N 458.563 1.576 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1286494547 VGBQVMKXGMJMCV-VQTJNVASSA-N 482.560 1.231 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1286793924 PWBBQHWMXZYRMN-WOIUINJBSA-N 489.665 1.536 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC(=O)N(C)C)C1 1286808364 BLMKRSGTOMEOSH-LJQANCHMSA-N 454.579 1.712 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(COC)CCOCC2)C1 1286808591 CQYFJBYORBCGMU-MSOLQXFVSA-N 454.593 1.405 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1286817162 QNOWRYBLQDQCLA-UHFFFAOYSA-N 472.615 1.255 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)cc2)CC1 1286818671 ZCBVABCKORKJJS-SFHVURJKSA-N 496.659 1.124 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1286821036 YVSPWZOBHPGWQR-MOPGFXCFSA-N 464.592 1.915 30 10 JDEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)c1=O 1295950134 BFKBCLIBKIDHST-UHFFFAOYSA-N 470.555 1.439 30 10 JDEE CCN1CCN([C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1296120207 GEAWZWJYTGQXHV-OALUTQOASA-N 488.662 1.422 30 10 JDEE CN(C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)C1)S(C)(=O)=O 1298547721 HCHJKXNUUPIPRL-QGZVFWFLSA-N 469.575 1.101 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCCN1CCCC)[C@H]1CCS(=O)(=O)C1 1300479233 KANWVTRVKHOJIN-PMACEKPBSA-N 478.663 1.698 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1300693031 QDHIJFQRQQZSEY-IBGZPJMESA-N 452.559 1.204 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCn2cc([C@H]3CCOC3)cn2)CC1 1300727212 VFJNABPILXCYFS-FQEVSTJZSA-N 453.591 1.843 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1COCCO1 1301349236 LPIPWKAQKZDRGK-NHCUHLMSSA-N 491.614 1.609 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301482703 AOONNSXKLZDANL-MRXNPFEDSA-N 489.483 1.321 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1301497138 PLDZJCMKCVJPIS-UHFFFAOYSA-N 450.551 1.221 30 10 JDEE C=CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCNC(=O)CC1 1301597116 JOJIXNVPXLQAIM-UHFFFAOYSA-N 463.633 1.792 30 10 JDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 1302429439 GOIGUANHXCGIAZ-RDJZCZTQSA-N 498.531 1.962 30 10 JDEE CS(=O)(=O)N1CC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)C1 1302467880 CWRZVJSXEDXKQI-WMZOPIPTSA-N 464.979 1.533 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C)cc(NC(=O)OC(C)(C)C)c2)CC1 1311107849 YLWPRUUOCOSVLE-UHFFFAOYSA-N 451.549 1.959 30 10 JDEE COC(=O)Nc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1311459914 FDMVLMPWSUOEAJ-UHFFFAOYSA-N 457.512 1.953 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(OC)CCOC1 1358895277 GNZQLZJDYAYFQV-OFVILXPXSA-N 452.603 1.906 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC2(CC1)OCCO2 1358929449 AAFFTCAQVBVLLN-SFHVURJKSA-N 467.592 1.146 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1358959604 MDAFYLBZSKVVPX-GDBMZVCRSA-N 484.003 1.055 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1358966315 MICKTANHWTUNAB-OAQYLSRUSA-N 482.610 1.675 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CCc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1358966390 OAZGXTHSYMOUMF-IBGZPJMESA-N 476.624 1.504 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccc(N2CCCC2)nc1)[C@@H]1CCS(=O)(=O)C1 1358967528 MCYCDHBJCXYGTM-LJQANCHMSA-N 458.588 1.485 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC(F)F)c1 1359024634 RQDIEBIGTKYJAH-HNNXBMFYSA-N 455.487 1.311 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2C[C@@H](C)N(C)C)CC1 1359034354 NMEVZOPGVJBIAE-LJQANCHMSA-N 462.602 1.941 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)CN2CCOCC2)CC1 1359042956 AOTPJTHSGTVXEQ-LJQANCHMSA-N 451.575 1.274 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(N3CCOCC3)c(F)c2)CC1 1359045442 HNYDKMCHQGSQCS-UHFFFAOYSA-N 454.550 1.830 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2ncn(C)n2)CC1 1359047405 FSYYUCBSRUGQQU-UHFFFAOYSA-N 464.530 1.008 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCO[C@H](C)C2)CC1 1359048588 WERGSEQPJIVLME-ZFMNYDKASA-N 459.591 1.783 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(F)cn2)CC1 1359121742 GVOUSUGWPHEHTC-KRWDZBQOSA-N 465.555 1.048 30 10 JDEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359286502 VGHVCIOXFQRIMZ-INIZCTEOSA-N 471.587 1.892 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C(=O)OC)C1 1359293332 NJSBCBGMZOMACC-GFCCVEGCSA-N 451.325 1.727 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1359342023 NAGYQXJBISPCKU-PBHICJAKSA-N 464.617 1.993 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCO[C@H]1C 1360230286 HXUFYMJLRCPYAA-UQBPGWFLSA-N 481.601 1.540 30 10 JDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@@H](CC#N)C(F)(F)F)ccc2F)CC1 1439453566 MQLYMQWQBBPHPA-HNNXBMFYSA-N 450.414 1.253 30 10 JDEE C#CCN(C)CCCNC(=O)N(CC)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1478735213 GKVCJQVDWZMEJT-LJQANCHMSA-N 451.612 1.831 30 10 JDEE CNC(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1503809349 GIMDAFQIYMXCIQ-UHFFFAOYSA-N 494.581 1.078 30 10 JDEE CNS(=O)(=O)c1cccc(Cn2c(Cc3cccnc3)nnc2N2CCC(C#N)CC2)c1 1503827986 CTTDZUVKBFTZEA-UHFFFAOYSA-N 451.556 1.960 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Br)cs1 1507537130 GLIJZRYKZBYGOZ-DOMZBBRYSA-N 488.433 1.941 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC(=O)N(CCOC)C1 1507539268 TXRCVNXRPVNBKL-IPMKNSEASA-N 490.605 1.539 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1507629638 VPSASWGSYJUOPA-KRWDZBQOSA-N 472.596 1.983 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1507629907 QSFDLJCRDQYOBC-UTKZUKDTSA-N 462.645 1.348 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 1507630649 DZLNIQVEFNEHIY-SFHVURJKSA-N 457.604 1.626 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)n(C)c1=O 1507653635 PDHWJYLXKHUFBI-HXUWFJFHSA-N 480.569 1.715 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H](C)N(CC)CC)CC1 1507723482 JVPKZFSTPFNVQF-LJQANCHMSA-N 462.602 1.678 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2cnn(C)c2)CC1 1507732060 BQYMXNCRUCJYRN-IBGZPJMESA-N 454.579 1.887 30 10 JDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507757351 YHBRLYKNTHARKP-JOCHJYFZSA-N 453.572 1.445 30 10 JDEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1507965567 OIUUFXFHRJQZRD-IBGZPJMESA-N 451.531 1.877 30 10 JDEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1507968900 XHJKJPPROJYJGW-UHFFFAOYSA-N 460.579 1.036 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1508084219 KCDGQLRBLNVJNW-GOSISDBHSA-N 464.574 1.512 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 1508101349 XYWIKFLHINDZNR-ICSRJNTNSA-N 488.614 1.608 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1508152384 LQORSPNCZSSDOT-DNVCBOLYSA-N 469.637 1.293 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCCN1CCOC1=O 1510172219 CKDAJQTUTXQOGU-QGZVFWFLSA-N 499.597 1.896 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539202883 LTFYXGBFDUNCJP-TVTNDZMWSA-N 465.620 1.374 30 10 JDEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1539231659 UYDJSOQRJZEDDM-BDXSIMOUSA-N 481.619 1.710 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(Br)cs2)CC1 1539447493 SSCRFOLDUPWASI-CQSZACIVSA-N 484.445 1.808 30 10 JDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)N(CC)CC)CC1 1539510903 OMHJKVACXMBISC-UHFFFAOYSA-N 473.603 1.956 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1539533442 QOEDBBDZAJUCTI-OXJNMPFZSA-N 454.497 1.769 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1539616617 RPBHFTNWYXNJMT-UTKZUKDTSA-N 484.605 1.764 30 10 JDEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](C)C1)c1ccccc1 1539766999 HSAIYYKLBQWVSN-QUCCMNQESA-N 461.588 1.940 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nccs2)CC1 1540036669 RBVSVGLEZULHQP-QGZVFWFLSA-N 466.633 1.946 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C)C1=O 1540201186 PORZZGDZQSUBDU-HXOBKFHXSA-N 478.594 1.704 30 10 JDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 1540858488 YVMLWDLENAKOEM-NRFANRHFSA-N 458.632 1.620 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](N3CCCC3=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540908551 IXJVORBFZKHCQR-XMSQKQJNSA-N 481.619 1.121 30 10 JDEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1555844977 FAFMGEISPBYQKA-HOTGVXAUSA-N 464.617 1.950 30 10 JDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN[C@@H](CC(N)=O)C1CCOCC1)CCCC2 1559736935 DZRVSPSJCXMPTG-PXNSSMCTSA-N 457.575 1.616 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(N(C)C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1588039705 CLQIRWVRICFKLT-FQEVSTJZSA-N 487.626 1.691 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCNC(=O)c1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1588059492 OWQSDYPHUIRKHJ-IBGZPJMESA-N 487.626 1.932 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1588064403 HQHZKBNHXCSBPL-WMZHIEFXSA-N 460.600 1.860 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1588069148 IDZULPXBTSNQCP-LJQANCHMSA-N 473.599 1.571 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC1CC1 1588219477 UQSXNIYIMWDUHU-UHFFFAOYSA-N 478.578 1.480 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(F)(F)F)n1 1588723638 OEOQKJXZFDGIML-CQSZACIVSA-N 460.482 1.225 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1588871508 GAPMTCDGMKTWEO-IBGZPJMESA-N 473.599 1.446 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2ccnn2C)C1 1589068963 GJOUZCKTIAFMMC-PKOBYXMFSA-N 493.659 1.095 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1589133861 AGWAAADQEYSQHE-ZCNNSNEGSA-N 476.647 1.111 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1594733061 MGRWNVXUXJCRRO-IAGOWNOFSA-N 463.608 1.975 30 10 JDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1(O)CCN(C(C)C)CC1 1595297806 XWJQTFGFNBQVIR-UHFFFAOYSA-N 460.579 1.880 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCS1 1595303739 ZABRNVPEHBLJPJ-QFBILLFUSA-N 459.638 1.536 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1595765463 BCBCPHAKQODKNO-UHFFFAOYSA-N 488.570 1.903 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(C)=O)C[C@@H]1C 1595821995 FIQYBEPWEBZADN-SFHVURJKSA-N 470.599 1.939 30 10 JDEE CC(C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1598136265 BSWWCFOHODRTEO-OALUTQOASA-N 451.531 1.451 30 10 JDEE CSC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)CCOCC1 1620222840 GWBATIYYVAPPAC-HZPDHXFCSA-N 472.637 1.262 30 10 JDEE N#Cc1ccccc1N1CCC(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)CC1 1634973200 CXQGICDSFFFJSZ-NFBKMPQASA-N 450.514 1.987 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CCC(=O)N2CCOCC2)c1 1689873203 BBXVKYJZKAKNBJ-UHFFFAOYSA-N 454.531 1.120 30 10 JDEE C#CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1689997039 UTVKFMAMFVBFKT-IBGZPJMESA-N 487.626 1.870 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCC1(C)C 1690104381 VHFWYYRXIGCFMX-MSOLQXFVSA-N 453.609 1.523 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2COCC)CC1 1690144248 RFNNHBAPURDFBJ-NRFANRHFSA-N 464.570 1.780 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Oc2ccccn2)C1 1690155107 GBESRNWFNHUOGM-CVEARBPZSA-N 450.590 1.307 30 10 JDEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690159651 IEJPVAYYPSIPOQ-MRXNPFEDSA-N 480.612 1.961 30 10 JDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(=O)N(C)[C@H](C)C1 1690172934 RPBGEDFUYWMFPQ-QGZVFWFLSA-N 454.604 1.485 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1690175165 QSYNFSYUUBIEGS-HXUWFJFHSA-N 494.731 1.541 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCCN(CC)S(C)(=O)=O 1690190272 PZYDCFKGZQWCAS-OAQYLSRUSA-N 459.576 1.589 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(Br)o1 1690644603 WRNYSLDJCPZKIJ-CYBMUJFWSA-N 460.354 1.789 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690668668 DUXYVNBDTYXGNL-UHFFFAOYSA-N 499.597 1.810 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1690675775 FAEPCYCCVSXIGV-UHFFFAOYSA-N 486.548 1.374 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H]2CCCN2C[C@H]1C 1690731364 JJNHDGMDAYUZRS-HCXYKTFWSA-N 453.609 1.276 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)C1 1690786005 CPLWLVLJKKNPPJ-MRXNPFEDSA-N 463.464 1.800 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@]2(O)CCN(C)C2)c1 1705507060 QJJOXPKFDLLFTA-RDPSFJRHSA-N 452.559 1.643 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCCN1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705558981 NOAFJKJAADTGKW-QHAWAJNXSA-N 492.690 1.801 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(F)cc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1705567153 VDBPMRROHBFJPG-NHYWBVRUSA-N 485.463 1.461 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1705569038 CQQAYARKKSKJMJ-MSOLQXFVSA-N 482.653 1.382 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@]2(O)CCN(C)C2)CC1 1705633700 WLGMTMQOSUREPI-OFVILXPXSA-N 452.603 1.857 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCc2c[nH]nc2C)CC1 1705644808 CJDJIHSLCGVBFF-XMMPIXPASA-N 469.590 1.560 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1705650697 WTEHEMSCRWWSDC-NHCUHLMSSA-N 452.559 1.281 30 10 JDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705656347 ZEANUBYEDWQCCY-UHFFFAOYSA-N 481.582 1.915 30 10 JDEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1705684770 BHZXPWSHKHBCRC-UHFFFAOYSA-N 496.391 1.086 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1705737720 YGKWBUANTMFMBU-FCHUYYIVSA-N 489.642 1.629 30 10 JDEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705825133 KNXHZUBHVOGUHP-GOSISDBHSA-N 473.965 1.668 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1705895468 HXWUHYHPZPNSEI-UHFFFAOYSA-N 474.009 1.891 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1705899390 QRHYXPACQWLCCN-UHFFFAOYSA-N 490.612 1.786 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1705905222 OCFJWWGCNHSCAF-OAHLLOKOSA-N 451.453 1.071 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCO[C@@H]2C(=C)C)C1 1705926087 YEYOTOVAGSQAPA-ZGXWSNOMSA-N 481.619 1.374 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1705937819 FWLZIPLURGVFMW-PMACEKPBSA-N 489.598 1.714 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCC(=O)N2CCOCC2)c1 1722306462 AHJWFYZWNGGKNQ-UHFFFAOYSA-N 487.564 1.569 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722360072 CSAHLNQFTSFQML-UYAOXDASSA-N 452.540 1.750 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1722360636 BHKAFGGAXVIFAF-UXHICEINSA-N 455.540 1.249 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1722361412 MZQMJJBZZTWQCR-IBGZPJMESA-N 455.588 1.814 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722368554 SXYNKMISESGTHK-ZWCUEREDSA-N 498.671 1.138 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCC(C)CC1 1722413492 MVXYCNHXPLOGRK-IBGZPJMESA-N 452.625 1.193 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1722435075 FTBYBXZUXBEBJY-KRWDZBQOSA-N 463.007 1.635 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(F)cc2)CC1 1722441781 URCXOCLDRPZYHZ-UHFFFAOYSA-N 452.534 1.862 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCS(=O)(=O)CC=C)CC1 1722445494 RVGFJTXRLZVTBZ-UHFFFAOYSA-N 485.566 1.240 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1722508585 STPICYNTTPHASV-KNQAVFIVSA-N 468.606 1.707 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1722630411 ZZSBPHSGFAPHGE-RTBURBONSA-N 480.635 1.355 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1722726461 ABSZJZOQTVSBEJ-LJQANCHMSA-N 472.615 1.992 30 10 JDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1722731506 MMFNRHHXNHVPSY-UHFFFAOYSA-N 465.551 1.517 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1cccc(OC)c1 1740610472 BNVRFNSHNQABIV-LJQANCHMSA-N 463.560 1.158 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccc(OCC(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1740620087 UGCFJOXSBBVHBW-GOSISDBHSA-N 483.550 1.386 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1740626868 WRRPOJCXKRJVTI-OAQYLSRUSA-N 467.599 1.565 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC(OCC)C1 1740685970 NODIMABTVIJSPJ-IQJRZOLZSA-N 493.605 1.603 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2CC(C)(C)O)CC1 1740707518 FTGBRRREQCIPAV-UHFFFAOYSA-N 455.559 1.993 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1740954742 FOUOSNYKUZDCQJ-QZTJIDSGSA-N 468.558 1.758 30 10 JDEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)OC)C1)S(C)(=O)=O 1746308491 GTRFABCFBBPLIW-GOSISDBHSA-N 460.560 1.488 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(Cl)c1 1748671425 JFPZMVGKCRCSEK-CRAIPNDOSA-N 467.979 1.801 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1748790245 GXKAFQMHGHOJPS-IRXDYDNUSA-N 484.623 1.230 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1748804001 BYWVEDSUYRMAMD-HSQYWUDLSA-N 478.571 1.058 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCS(=O)(=O)CC1CC1)[C@@H]1CCS(=O)(=O)C1 1748809624 OWIOUXSMQKEOFY-QGZVFWFLSA-N 480.587 1.536 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccccc1OCCOC)[C@H]1CCS(=O)(=O)C1 1748811055 ARAMCIBXXRETIH-FQEVSTJZSA-N 483.594 1.984 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(O)CCS(=O)(=O)CC1 1748949728 AEDTXSBNCPRMGI-UHFFFAOYSA-N 484.525 1.572 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2nncn2C)CC1 1748978984 SLOFVUSCZKRPCZ-UHFFFAOYSA-N 459.327 1.779 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCNC(=O)OC(C)(C)C)CC1 1749009887 XCHAGHQNJDKFEW-UHFFFAOYSA-N 499.572 1.496 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N(C)C)CC1 1749039207 QRBWJNPYVYUDOW-QGZVFWFLSA-N 453.634 1.241 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)C)C1 1749230515 YKVLSUUWHBFHFH-ROUUACIJSA-N 457.597 1.065 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1749650386 VDBHJHYNWGEIBP-UHFFFAOYSA-N 471.606 1.435 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2nccnc2C)CC1 1749658398 PESWWWRXMAGWCC-UHFFFAOYSA-N 453.938 1.721 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1749683178 LFMKOUFDATXZLG-ONTIZHBOSA-N 455.559 1.752 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1749730958 XAVUVVHWCWVDBQ-NRFANRHFSA-N 458.519 1.573 30 10 JDEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CCNC(=O)CC1 1749740091 PFYIBXVTTGEGNG-UHFFFAOYSA-N 465.601 1.506 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2nc(C)cc2C)CCO1 1750022328 FJCBOEGQGHDEDV-QHCPKHFHSA-N 492.584 1.974 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)c2ccsc2)C1 1751276775 DWDIBINXVZVOOO-IOMROCGXSA-N 494.643 1.710 30 10 JDEE Cc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)N(C)C)c2ccccc2n1 1751410218 BAQZITRLIMSFGO-INIZCTEOSA-N 455.544 1.422 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)Br 1760116395 GZOANGKCSLEVIS-MNOVXSKESA-N 456.313 1.057 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1760183121 MNXLOMQQHYLQBC-UWJYYQICSA-N 461.975 1.704 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760185068 OVKNKPVGMSGHKT-MOPGFXCFSA-N 473.599 1.301 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1760557445 LYYXPBDRSATEAG-QHCPKHFHSA-N 457.600 1.913 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCCC)nc1 1772564718 XJMBHBZBMBARIP-KRWDZBQOSA-N 450.565 1.465 30 10 JDEE O=C([C@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21)N1CCC2(CC1)OCCO2 1869929752 MGPKVUZUOSITAA-IBGZPJMESA-N 455.536 1.702 30 10 JDEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)nn1 2206617266 QWBFSWKRHICQCT-MRXNPFEDSA-N 458.328 1.714 30 10 JDEE C=C(CS(=O)(=O)NC1(C(N)=O)CCN(Cc2ccccc2)CC1)B1OC(C)(C)C(C)(C)O1 2267471020 QBGKOHMJLWFTJV-UHFFFAOYSA-N 463.409 1.614 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267483107 NSUDFGSSQHUNDZ-ZBFHGGJFSA-N 450.341 1.927 30 10 JDEE Cc1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H](O)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267485489 LNPWQIUAPHWLTG-CQSZACIVSA-N 467.397 1.805 30 10 JDEE Cn1nc(C(=O)NC[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267547107 GHQSISCPQXJBFU-CQSZACIVSA-N 452.336 1.654 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267556888 ZTWRALUOLPPLBB-GJZGRUSLSA-N 450.341 1.927 30 10 JDEE CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2267708274 GXJWLNJLLMHMPC-KRWDZBQOSA-N 461.397 1.009 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267870474 DZJZFSDALUUINH-KBPBESRZSA-N 450.320 1.853 30 10 JDEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C2COC2)C1 2282171627 MBDANQUXVZBTQI-UHFFFAOYSA-N 459.352 1.841 30 10 JDEE CC1(C)OB(c2cc(S(=O)(=O)N3CC[C@@](C)(NC(=O)C(F)(F)F)C3)ccc2F)OC1(C)C 2282415659 KNTWTFVGMWZFFG-GOSISDBHSA-N 480.289 1.957 30 10 JDEE CC(C)[C@@H](CCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2282420277 WWLOIEWWJONFQB-MRXNPFEDSA-N 486.444 1.937 30 10 JDEE COc1cc(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1 2282571392 SQJVDCCQZWGKLC-UONOGXRCSA-N 454.254 1.982 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2[C@H]1CO 2282627074 GFUNHUDQNDHDII-OFQRWUPVSA-N 479.408 1.742 30 10 JDEE CO[C@@H]1CN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2282865756 YLPTWJUUZQBEHL-IAGOWNOFSA-N 482.408 1.898 30 10 JDEE Cc1nc(S(=O)(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282869891 JUYCDTDDRBNJLO-QFBILLFUSA-N 474.436 1.969 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2284058559 NTLOEXGBDYFKRS-ULQDDVLXSA-N 466.315 1.405 30 10 JDEE NCC#Cc1cc(Cl)sc1CNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2343820551 KLPFRAYPQHNHJI-UHFFFAOYSA-N 451.957 1.817 30 10 JDEE C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)CC)cc2n2c(=O)n(CC(=O)N[C@@H](C)CC)nc12 64581547 IQAFMTXIYNEUNC-GJZGRUSLSA-N 454.531 1.440 30 10 JDEE Cn1c(=O)c2[nH]c(Sc3nnc(N/N=C/c4cccc(Cl)c4Cl)[nH]3)nc2n(C)c1=O 105378297 INAVUAICJYNQID-KPSZGOFPSA-N 466.314 1.982 30 10 JDEE Cc1cccc(OC[C@H](O)Cn2c(N/N=C/c3ccccc3O)nc3c2c(=O)n(C)c(=O)n3C)c1 107163929 FUROPRFWAMFOKP-YTIGJDNKSA-N 478.509 1.334 30 10 JDEE CC1(C)OB(c2cnc(SCCC[C@@H]3CCCN(C(=O)[C@H](O)CO)C3)nc2)OC1(C)C 204891343 XMOORSGLKHEFPY-DOTOQJQBSA-N 451.398 1.240 30 10 JDEE C(=Nn1cnnc1)c1ccc(O[C@@H]2OCCO[C@@H]2Oc2ccc(C=Nn3cnnc3)cc2)cc1 254398237 MCXDDDJUMICPED-SZPZYZBQSA-N 460.454 1.791 30 10 JDEE C#CCN(C(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 729332211 WDPLCCXIRJALDB-HXUWFJFHSA-N 460.577 1.736 30 10 JDEE C=CCn1c(SCC(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)nnc1-c1ccc(Cl)cc1 1130801943 XJRBXCFPBVDOSG-LSDHHAIUSA-N 456.977 1.805 30 10 JDEE Cn1ccnc1N1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1139926153 GYHAJLQWEHNJIM-UHFFFAOYSA-N 456.572 1.478 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(n3cc(C(=O)OC)nn3)CC2)ccc1F 1153903666 WYLBVPGNIPINQS-UHFFFAOYSA-N 451.480 1.145 30 10 JDEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 1197220067 KWUBVADINCHSTC-BXWFABGCSA-N 451.545 1.973 30 10 JDEE C#CC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1)c1ccccc1 1230564925 CWORVJPUIWBBNQ-FQEVSTJZSA-N 452.536 1.962 30 10 JDEE C=C1CCC(CNC(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)CC1 1255135095 SVKPEDRPHBJYAK-UHFFFAOYSA-N 456.590 1.096 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCCS(C)(=O)=O)c1 1286310691 XSMZYFYYKXFMCT-UHFFFAOYSA-N 452.540 1.831 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCOC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286392212 BCLCXCRRIIQILH-HXUWFJFHSA-N 490.630 1.352 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286392404 GWHMHKAEPSNOSM-JKSUJKDBSA-N 451.543 1.724 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1F 1286466198 DZDZKGRHOHCUBI-IBGZPJMESA-N 465.551 1.079 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(NC(N)=O)cc2)CC1 1286487683 HMWOXSNWYDDULS-RUZDIDTESA-N 495.584 1.435 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)NC(C)C)CC1 1286491791 BNHQYXHXAKHENR-UHFFFAOYSA-N 454.579 1.020 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCc3ccccc32)CC1 1286780752 QEMWJFWKENVSEA-KRWDZBQOSA-N 487.630 1.222 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1286791428 ZGQPYTHXUBDXTJ-CALCHBBNSA-N 473.578 1.006 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286815267 QEEPOJDCQUNAEP-UHFFFAOYSA-N 492.989 1.720 30 10 JDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1297716562 FZFRLTJKZMXEOT-GOSISDBHSA-N 486.598 1.658 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCCS1(=O)=O 1300284461 SGXMQZZSHAZWSC-VQIMIIECSA-N 479.628 1.621 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1300305241 SWKHLPWIZTZEPO-YOEHRIQHSA-N 462.514 1.121 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2ccccc12 1300311287 RMQMLUUCKWXTQC-OXQOHEQNSA-N 456.572 1.793 30 10 JDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)NCC)CC1 1300344476 CQFUCHUTQKDUEX-UHFFFAOYSA-N 487.630 1.850 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1300489714 QYUOKRKDIJGNAG-KRWDZBQOSA-N 479.006 1.783 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2ccccc2)CC1 1300724685 BUMSWPSJPFNDMK-WIYYLYMNSA-N 469.611 1.950 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)c(OC)c2)CC1 1300729112 NFNCGUPQMCKGBH-UHFFFAOYSA-N 480.569 1.432 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1300742820 ARBQXJTUSKQMDX-APWZRJJASA-N 473.624 1.677 30 10 JDEE C=C(C)COCCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@]1(OCC)CCOC1 1301002405 YZGYAEODSWDCBE-RDPSFJRHSA-N 476.622 1.266 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCCS1(=O)=O 1301339605 QYLGZXFSZWIDCF-LJQANCHMSA-N 469.571 1.329 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1301497479 XYSZNOZQSMQLIY-UHFFFAOYSA-N 492.584 1.271 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1csc(Br)c1 1301498334 MYPNLHXTOAMSHN-GFCCVEGCSA-N 453.366 1.992 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCNC(C)=O)C1 1301544216 UMWDANSXIOXFRP-SFHVURJKSA-N 475.619 1.854 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1301587937 ZBSZTYCQQSIPCU-UHFFFAOYSA-N 493.655 1.732 30 10 JDEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1301611211 JLCHZPKXGSERDC-UHFFFAOYSA-N 471.566 1.263 30 10 JDEE CS(=O)(=O)N1CC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)C1 1302467878 CWRZVJSXEDXKQI-FUHWJXTLSA-N 464.979 1.533 30 10 JDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H](C)CN3CCN(c4ccccc4)CC3)CC2)c1C#N 1312062668 FTAYRHBZIZMPKW-IBGZPJMESA-N 450.591 1.643 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1358920241 VRCBRAXNJUHVHM-SJORKVTESA-N 468.624 1.995 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1358929483 AYWGLXLRKCDLHE-HXUWFJFHSA-N 494.568 1.629 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1358955995 YEFIGMDPHXDLTB-WBVHZDCISA-N 476.628 1.709 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1C[C@H](C)CN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1358962708 VCKOGAPQCMCBHO-CTNGQTDRSA-N 462.664 1.446 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1cccc(Cn2cccn2)c1)[C@H]1CCS(=O)(=O)C1 1358967473 LAVUCDZFGVVITD-NRFANRHFSA-N 468.583 1.734 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[C@@H]1COCCO1 1359023663 RFAQTVMALLSZDY-GOSISDBHSA-N 466.542 1.566 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](SC)C(C)(C)C 1359024049 DKOVOQRULUGALV-IRXDYDNUSA-N 473.665 1.475 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2COc3ccccc3O2)CC1 1359040679 DGENAMNMMGMKGY-AZUAARDMSA-N 483.569 1.808 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1359099900 URDQTFLBUYHGLC-TZIWHRDSSA-N 488.633 1.355 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1359291815 CEOSQZQMGSFLFK-INIZCTEOSA-N 474.949 1.553 30 10 JDEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1359341519 ZGHBCOFDFUSRDT-UHFFFAOYSA-N 469.571 1.808 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccnc2)C1=O 1467486461 HMVDMGWDIIVRJX-INIZCTEOSA-N 457.487 1.179 30 10 JDEE N#Cc1ccc(N2CCN(C(=O)NC3CCN(S(=O)(=O)C4CC4)CC3)CC2)c(Cl)c1 1478176978 DXVWBOGXBZIQKL-UHFFFAOYSA-N 451.980 2.000 30 10 JDEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 1501901184 HTGGSUNLLPYZGW-DEOSSOPVSA-N 483.642 1.675 30 10 JDEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1503912715 BYVLUCFCCNBEGJ-UHFFFAOYSA-N 481.601 1.898 30 10 JDEE CO[C@@H]1COCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1504526958 HLASFDGTPRYRLA-VAMGGRTRSA-N 459.572 1.740 30 10 JDEE COCC1(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)CCC1 1504623692 GOURSMVLWZMQRL-IAGOWNOFSA-N 454.597 1.414 30 10 JDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccccc1S(=O)(=O)N(C)C 1507620966 LONJHBYBODPOLK-UHFFFAOYSA-N 463.567 1.885 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CC1(S(C)(=O)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1507632859 AZXONDICHJWZSP-QGZVFWFLSA-N 456.634 1.461 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1507639491 YSYKLEDXWIGGQD-ONTIZHBOSA-N 488.610 1.994 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCC[C@@]2(CCOC2)O1)[C@H]1CCS(=O)(=O)C1 1507639539 ZGLAHERDKMVWND-WFXMLNOXSA-N 452.577 1.170 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCCN2CC)CC1 1507730911 YQAUDFJPRVDJET-RTWAWAEBSA-N 487.649 1.826 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(CC)CC 1507773656 UZHRJBDISWYSSQ-WAOWUJCRSA-N 452.625 1.333 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOC(C)(C)C 1507797588 MDYCQGSTLCUWMO-FHWLQOOXSA-N 485.651 1.844 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2cccnn2)CC1 1507824989 KNPJTJYQFJGDLT-UHFFFAOYSA-N 468.587 1.888 30 10 JDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2csc(CC)n2)CC1 1507825111 QAFCBJXAPNHWAO-HNNXBMFYSA-N 453.638 1.806 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCc2ccccc2)C1 1507832218 TYXSTXDULFQFEZ-PMACEKPBSA-N 461.588 1.983 30 10 JDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1507910510 UJPDHFTZGPMVGI-GOSISDBHSA-N 482.651 1.649 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)Cc1ccccn1 1508071387 BHOMYIKPKFZCTG-UHFFFAOYSA-N 468.587 1.880 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CCSC2)c1 1539039790 IAWYDUNSKVBPKV-JOCHJYFZSA-N 451.556 1.603 30 10 JDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1539128339 ZEAMJBXUXQSWAP-UHFFFAOYSA-N 455.588 1.790 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1539212365 VJZFJYNLIVGRLG-MBSDFSHPSA-N 490.582 1.131 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CC(=O)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539224038 CEVNFPMFXFRLRC-QFIPXVFZSA-N 492.605 1.549 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cc(C)cn1 1539384966 QYPHOQDLSUCRLN-KRWDZBQOSA-N 459.551 1.872 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c2c(c1)OCCO2 1539396767 QIPODIYFAOKZDX-CQSZACIVSA-N 483.978 1.447 30 10 JDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1539510969 OWORVOMENQZXAD-SJORKVTESA-N 488.614 1.740 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(F)cc(F)c1 1539516747 BMWZAJKEWAYYKT-SFHVURJKSA-N 485.582 1.892 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1539640876 BUOOEGUSMKAKJH-SRYPRDQNSA-N 488.633 1.749 30 10 JDEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1539750787 VRYLZFXXQMFQPH-UUOWRZLLSA-N 490.605 1.896 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540876442 RFTWALYJQDTVHK-VBURHUQHSA-N 489.577 1.382 30 10 JDEE C=CCNC(=O)Cn1c(N2CCCN(C(=O)CC3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1540876470 SINRPTYAWPOTRN-RUZDIDTESA-N 488.633 1.851 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1540907719 GADAYHXOAZVBDY-MRXNPFEDSA-N 456.576 1.885 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540909007 UZDSOHQLTSPRPY-IXDOHACOSA-N 496.634 1.364 30 10 JDEE Cc1cccc(C)c1NC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1542521267 AGOYDDHZZLNMBR-SJORKVTESA-N 458.544 1.165 30 10 JDEE CCN(CC)C(=O)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1547402240 AHLMLNSBNCZNAC-FQEVSTJZSA-N 465.558 1.773 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ccccc2C#N)CC1 1552884423 BCEYAGHXOWCSKS-UHFFFAOYSA-N 468.587 1.373 30 10 JDEE C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1 1562235818 SVMQNDZGFLWSCS-KRWDZBQOSA-N 457.531 1.944 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1587640592 UKMDIUZIXFKZFM-MUGJNUQGSA-N 480.679 1.825 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1587822947 HBEBRPACLHCHKO-KRWDZBQOSA-N 494.643 1.079 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1588059007 HHAHEFBJAXEHGN-LJQANCHMSA-N 473.530 1.817 30 10 JDEE C#CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1588059229 KBJRGBFMYMVSGZ-QZTJIDSGSA-N 497.618 1.250 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1588065307 WMZHORKJMKVBDK-IBGZPJMESA-N 462.645 1.745 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1588069253 KJHQXJUZMMIQHU-AWEZNQCLSA-N 453.977 1.649 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C(C)C)n1 1588139069 KUPXZSRRBFWESL-GOSISDBHSA-N 476.628 1.506 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CCn2cncn2)CC1 1588791305 ROPIFRDWCWMERA-UHFFFAOYSA-N 450.547 1.789 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2COCCO2)CC1 1588961498 ATOFPYDSPZYSLW-HXUWFJFHSA-N 473.961 1.892 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1589546469 RHGMEBOHKCSJCF-URVUXULASA-N 460.623 1.754 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1593746830 OEOKIOKUBVBPGK-SJLPKXTDSA-N 497.643 1.618 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)nc1 1595219311 SXEDSUXDMIWZNP-MRXNPFEDSA-N 452.968 1.886 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)c(F)c2)C1 1595674730 SQJRBZXLMHMNJH-RDJZCZTQSA-N 466.583 1.923 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1618842672 AHDNULYXIHGUND-UHFFFAOYSA-N 450.528 1.450 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@@]23CCN(C(=O)OCc2ccccc2)C3)CC1 1627015626 XWLUNJGGQOKVNP-SQJMNOBHSA-N 452.555 1.319 30 10 JDEE C#CCN(C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1)[C@H]1CCS(=O)(=O)C1 1631281117 WUNRXIWJOAQMCD-FQEVSTJZSA-N 453.008 1.684 30 10 JDEE C=CCN1CC[C@H](N(C)C(=O)CSc2nnc3n(CC=C)c(=O)c4ccccc4n23)C1=O 1641500497 KOXGSTRCHBPABK-KRWDZBQOSA-N 452.540 1.568 30 10 JDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCc2ncc(Br)n2C1 1648684569 BDIMQPJMJXUBAI-AAEUAGOBSA-N 452.334 1.315 30 10 JDEE C#CCN1CCN(C(=O)CN2CCOC[C@H]2c2c(C)nn(-c3cccc(OC)c3)c2C)CC1 1653271379 XFRPRVKVTFMWFY-QHCPKHFHSA-N 451.571 1.648 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2C[C@@]2(O)CCOC2)c1 1689872229 RUNNJBRPEXACGG-QHCPKHFHSA-N 466.567 1.841 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689977718 BIAOFMHDUPNIEM-RBUKOAKNSA-N 490.655 1.505 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1csc([C@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1689978130 NDCLFVOJIPXDGR-HOCLYGCPSA-N 480.616 1.255 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1689982968 XZLDAPODYICOFX-QGZVFWFLSA-N 481.525 1.699 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689989684 HXHPKIXXJGKCGV-RHQZKXFESA-N 484.644 1.011 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1689996613 KRCSIDQXZFUECF-KRWDZBQOSA-N 489.529 1.806 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1689997297 ZQNXSFASIHLDRX-MOPGFXCFSA-N 474.583 1.919 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1690017464 DSCYCBMIZKBOMJ-WZONZLPQSA-N 491.614 1.015 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCOC1=O 1690020164 ZZJCSRMHQUTDOM-SFHVURJKSA-N 472.546 1.502 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)NCC)cc1 1690104045 LCPVJOQUVDQVPF-LJQANCHMSA-N 459.572 1.064 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=O)N(C)CC)CC1 1690145933 BHAAXCLGNLJVNC-HXUWFJFHSA-N 466.542 1.235 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1690252471 FFCODHIHAQYZNG-ONTIZHBOSA-N 460.623 1.929 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCn2c(nc3c2CCCC3)C1 1690300737 IZWGIYQAISLFNV-INIZCTEOSA-N 463.608 1.577 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1690663118 MKYSQTLRNNBNLD-OAQYLSRUSA-N 467.618 1.861 30 10 JDEE Cc1nc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)sc1C 1692949008 CJIARAVWENTDFR-KRWDZBQOSA-N 479.632 1.863 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCN2CCCO)c1 1705506088 ZPILFNISQGSOHC-RTWAWAEBSA-N 479.585 1.132 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCC(=O)NC(C)C)c1 1705508666 ZNXQWTZLUHHLNO-UHFFFAOYSA-N 465.558 1.371 30 10 JDEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705525770 URIKCOHHQDTEED-CQSZACIVSA-N 472.351 1.981 30 10 JDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCN(c2ccncc2)CC1 1705542461 GUAQCFSZEGFMNK-RUZDIDTESA-N 467.618 1.995 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1705559917 BWTRNAZYHMFGNK-ZDUSSCGKSA-N 456.366 1.433 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1705564463 OOKLYMSHWHTMFS-HKUYNNGSSA-N 454.556 1.863 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1705564692 CEZREJGUOUPAEO-XDHUDOTRSA-N 498.609 1.226 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1705568427 NGPNIJMGUMQJSX-PZJWPPBQSA-N 475.590 1.963 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705570239 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1539831326 HDDNHEAFECZVOW-FQEVSTJZSA-N 471.649 1.465 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(=O)N(C)C)CCCC1)C1CC1 1540108228 HRWIPCBWWQDIFJ-SFHVURJKSA-N 480.635 1.414 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1540870478 OGOTUFAYJMQZLZ-UYAOXDASSA-N 458.607 1.949 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1540877589 ZNBSKCXWUGIRLW-DYXWJJEUSA-N 472.594 1.429 30 10 JDEE CN(C)CC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1552854166 IEVDOKNYVSMXNE-GOSISDBHSA-N 475.619 1.512 30 10 JDEE CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1558637503 CSXCABIYUONHPY-OAHLLOKOSA-N 450.561 1.879 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1N1CCOCC1 1587640870 VSYYYIHJIRTFSD-UYAOXDASSA-N 457.600 1.831 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1587860789 AVNSBIVSXACPOF-GOSISDBHSA-N 488.589 1.493 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1588030564 XLLGNLUZSLTNAU-QGZVFWFLSA-N 485.595 1.560 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1588069380 MMUDPPMBZIRYNF-HXUWFJFHSA-N 481.578 1.978 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2([S@@](C)=O)CC2)CC1 1588892158 YCTXJESKYLGANX-FLASPHMUSA-N 477.631 1.196 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1588929957 JYPMPMDQMHZKOV-QFIPXVFZSA-N 483.661 1.844 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)c1ccc(C)cc1)C1CC1 1595058401 KTKCVRRHFWNVPT-HXUWFJFHSA-N 488.614 1.504 30 10 JDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 1628305568 KEFITFOWNGYHSM-SFHVURJKSA-N 457.593 1.383 30 10 JDEE C#CCN(C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1628875007 SACBKFPRPRONQD-KRWDZBQOSA-N 459.490 1.874 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2COCCN2C(=O)OC(C)(C)C)s1 1631738872 RSQWJTAXSCLMCP-AWEZNQCLSA-N 459.590 1.507 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)CC1 1644282139 WGNFYXMFYFKIJQ-UHFFFAOYSA-N 457.581 1.680 30 10 JDEE Cc1cccc(OC[C@H](O)CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C(C)C)c1 1644687649 FPAMGYXBOYBHFP-HXUWFJFHSA-N 455.559 1.962 30 10 JDEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1689983013 YZEXZHCFPHYWLY-KRWDZBQOSA-N 494.415 1.813 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689993695 JPVPAZVHRGPKJG-RBUKOAKNSA-N 471.583 1.495 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCC[C@@H](C)C2)CC1 1690132176 JUQAIWSIEOYXNS-LJQANCHMSA-N 455.632 1.757 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1690137245 RLXSKUGIQPHNNF-GOSISDBHSA-N 452.550 1.723 30 10 JDEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690183259 RIVUBEQYNKKQFK-UHFFFAOYSA-N 496.637 1.803 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1690497950 YZDLVBWOSZENKK-UHFFFAOYSA-N 456.595 1.553 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2cccc(C)c2)C1 1690699915 LENWWDIPFFMCFD-NHCUHLMSSA-N 491.614 1.780 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1690699961 LVTVKFRLSLXTFU-ZACQAIPSSA-N 493.552 1.225 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1690723169 KDKCOSJFCVDPFA-MRXNPFEDSA-N 453.590 1.263 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705506407 XVFVSXHCINKPCJ-XLAORIBOSA-N 480.635 1.788 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1705582772 JHIOWMIYAQASLF-FQEVSTJZSA-N 463.567 1.499 30 10 JDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1705630166 IREXHCHBWGKSNP-VGSWGCGISA-N 459.572 1.694 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nc(CCOC)no1 1705693728 JXWSEFYXNJCNPB-VQIMIIECSA-N 459.551 1.704 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1705693930 MFYGTRVOXOOYNH-IRLDBZIGSA-N 487.649 1.486 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705888470 ZKXKCQMYOUKVFC-UHFFFAOYSA-N 486.602 1.785 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1705904260 KJKWPRATIPAYNL-CRAIPNDOSA-N 497.980 1.853 30 10 JDEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(S(C)(=O)=O)CC1 1705947245 FVNUBBKOVLEXGX-UHFFFAOYSA-N 461.617 1.517 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1705966595 LKADTDSTOFGDBO-UNMCSNQZSA-N 468.558 1.839 30 10 JDEE C[C@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 1708243569 BEQSPRBSGKBHGH-UEXGIBASSA-N 472.615 1.939 30 10 JDEE CS(=O)(=O)Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cc1 1712695046 HTGQTYBGHYVGFY-XLIONFOSSA-N 481.575 1.215 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H]2NC(=O)CC2(C)C)c1 1722310633 XWHCFFYIJXNKRH-LJQANCHMSA-N 460.542 1.650 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722368333 PYJSYGHCXKWZTC-TYPHKJRUSA-N 484.626 1.376 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1722371415 ISKPVWFBFRTQPI-INIZCTEOSA-N 481.525 1.174 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1722380600 RMJLTHGRGVPUDU-UHFFFAOYSA-N 450.524 1.492 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722396023 UUSVFQFSJFJXEG-QHCPKHFHSA-N 464.551 1.143 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1F 1722397417 QENARCHJOQRSER-WIYYLYMNSA-N 489.573 1.681 30 10 JDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(CS(C)(=O)=O)CC1 1722414166 WWQGDAOTZSFNHQ-QGZVFWFLSA-N 481.619 1.871 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2NC(=O)CC2(C)C)CC1 1722436002 VAYCDNNZDVDUOD-HXUWFJFHSA-N 452.559 1.632 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(C)c(OC)c2)CC1 1722447949 QDBRFCHSQSKIQS-HXUWFJFHSA-N 464.570 1.755 30 10 JDEE C=C(Br)Cn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722490159 XRTDQXARBBPJHJ-MAUKXSAKSA-N 492.440 1.697 30 10 JDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2nc([C@H](C)OCC)no2)CC1 1722518493 NNWWUVRUWSRTOH-KRWDZBQOSA-N 458.567 1.893 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(OCC(N)=O)CC2)cc1 1722705688 GLZKZBVIVZHJHK-IBGZPJMESA-N 454.531 1.313 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1722727675 KIARBSWRPQTZLX-QZTJIDSGSA-N 453.609 1.072 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722729118 FUONSQWQKNEUIF-UHFFFAOYSA-N 486.598 1.299 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCSC2(CCOCC2)C1 1722730459 SOOPVOFKRSILTB-UHFFFAOYSA-N 480.660 1.843 30 10 JDEE Cc1ccc(-c2nc(Cn3c([C@H](C)NS(C)(=O)=O)nnc3N3CCO[C@H](C#N)C3)co2)cc1 1724280825 DWPJFLVTXKXABI-MAUKXSAKSA-N 471.543 1.629 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1740615551 GUHJBQLMZHIHMT-MRXNPFEDSA-N 464.617 1.522 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cccc(OC)c2)CC1 1740701187 XLPDYWKVGJMZEV-UHFFFAOYSA-N 452.559 1.633 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCC2CCOCC2)CC1 1740708157 DZEHEPIRIDULSA-UHFFFAOYSA-N 456.591 1.573 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCNS(=O)(=O)c1ccccc1 1740722770 DQJLNQZLHWQMHK-HSZRJFAPSA-N 479.566 1.896 30 10 JDEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1740939220 TUPOHCOZYRMMIQ-LJQANCHMSA-N 485.404 1.896 30 10 JDEE C=CCn1c(-c2cnccn2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1740945947 ALJIVQBSIXKONJ-KBMXLJTQSA-N 461.548 1.048 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)C(=O)C1 1740950340 GXRFYCLMRNYGGV-INIZCTEOSA-N 450.540 1.068 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCS(=O)(=O)CC1 1740952467 FNPKYLMUTYPZHI-CQSZACIVSA-N 453.952 1.609 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1740960331 PJWZZUIDJAWUCS-SJLPKXTDSA-N 479.990 1.714 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1740991095 ODDBZWQXAGYDOD-SFHVURJKSA-N 475.619 1.934 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](n2cncn2)C1 1740992855 OOFWXPFLPKLCDM-LJQANCHMSA-N 471.587 1.911 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1740995463 MVDJNKHSYALABA-SJLPKXTDSA-N 477.591 1.128 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CCS(=O)(=O)CC1 1748668448 KTYIHQZQPKXQSK-ROUUACIJSA-N 495.646 1.790 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)CCCO2 1748671042 GBVYUCZUOWEZKW-JXFKEZNVSA-N 459.572 1.442 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1748809000 PCYUQSLFIKFQAL-VQTJNVASSA-N 475.615 1.830 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1748809115 QHEASXYVPCKCLC-SFHVURJKSA-N 459.572 1.353 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 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C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 1286486977 JQAUYSCVDHTWOC-QHCPKHFHSA-N 450.568 1.651 30 10 JDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC(=O)N1CCOCC1 1286509553 SVPXMDMZCQZRLE-IBGZPJMESA-N 457.556 1.452 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N(CC)CC)CC1 1286546071 FZNPCHWVGVPWSA-OTWHNJEPSA-N 497.666 1.453 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1286608599 RYEIEECMPNRYBT-XLIONFOSSA-N 452.581 1.334 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccnn2C)CC1 1286700140 KGJCYXHRPYMBSL-LJQANCHMSA-N 463.608 1.695 30 10 JDEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CCOC)[C@H](C)C2)CC1 1296123545 BBNLINAUQDLFRB-FGZHOGPDSA-N 480.661 2.000 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1297729247 FGFSUNUWMWOCNP-FDDCHVKYSA-N 488.614 1.873 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1300481907 CMBJTPIVOOXDTB-JTSKRJEESA-N 493.655 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JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1301593331 LXDBEIGHYWEFHH-QFIPXVFZSA-N 461.588 1.729 30 10 JDEE CS(=O)(=O)NCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@](F)(C#N)C1 1302505140 GQESAUKBVQSTIF-KRWDZBQOSA-N 487.355 1.611 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(COC(C)(C)C)on1 1358994346 KPWMODLBBSOCAC-KRWDZBQOSA-N 459.572 1.995 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1359040110 INQOVMGIJXJYHA-QFIPXVFZSA-N 483.661 1.990 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)c2cccs2)CC1 1359044745 NNCDKCHNZIIYFI-AOMKIAJQSA-N 456.572 1.164 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CC[C@H](CO)O2)CC1 1359047454 HQNRCPHRDYDNLJ-DOIPELPJSA-N 473.618 1.702 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc3c(c2)C(=O)NCC3)CC1 1359047970 ZYMKDXFTJURYCQ-UHFFFAOYSA-N 450.543 1.115 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1359132150 OMUUZVUTOCSOSL-NRFANRHFSA-N 459.639 1.817 30 10 JDEE C=C(C)COCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359132815 GDECXAAGMJLOQC-RBUKOAKNSA-N 492.621 1.937 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1359293589 UUISFJSCNIAXFU-YJYMSZOUSA-N 465.352 1.722 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCNS(C)(=O)=O 1359295061 OGKSIHHJUGCTNF-UHFFFAOYSA-N 466.633 1.563 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1359303286 JBOCHSHYCFIZSH-XZOQPEGZSA-N 494.688 1.864 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1359304527 ZXYMIXJYGCDOED-QAPCUYQASA-N 472.594 1.791 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1359330889 GOMBCJMBZKOKGN-UHFFFAOYSA-N 458.466 1.684 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1359333769 JDRYYQGKNMKTJF-UHFFFAOYSA-N 494.621 1.756 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@]3(CCCOC3)C2)nnc1[C@]1(OCC)CCOC1 1359335521 NMAJDGVCODBWQR-SFTDATJTSA-N 454.593 1.538 30 10 JDEE COc1ccccc1[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1nccn1C 1440870023 AVBKQXJPGJYVMH-MGPUTAFESA-N 453.524 1.873 30 10 JDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 1507583584 TYFVFJGCHUOJEC-UHFFFAOYSA-N 476.585 1.346 30 10 JDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCCn1cnnn1)[C@@H]1CCS(=O)(=O)C1 1507624425 ABMXEWNKFCBRNT-WOJBJXKFSA-N 468.587 1.524 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCN(C)CCOC)CC1 1507723642 PIOFBPBREVNSSJ-UHFFFAOYSA-N 492.628 1.569 30 10 JDEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(S(C)(=O)=O)CC1 1507744167 IVPNDIKIRZYUGT-UHFFFAOYSA-N 487.449 1.494 30 10 JDEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507853505 GJSATCXRVNGVEX-KXBFYZLASA-N 466.030 1.938 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1508074009 LYEITWDGTFEIOJ-HNNXBMFYSA-N 480.566 1.377 30 10 JDEE C[C@@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1)C1CC1 1510239408 DGKUOUVPKGRQLL-JOCHJYFZSA-N 459.572 1.903 30 10 JDEE Cc1ccc(SCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C(N)=O)CCOCC2)cc1 1511044098 DGIMYRWCMKYONU-KRWDZBQOSA-N 456.572 1.890 30 10 JDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1515098775 FLUFKWDEENPMES-GOSISDBHSA-N 473.603 1.451 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1524515959 QMOSEBWNVKKOHC-QFBILLFUSA-N 454.545 1.954 30 10 JDEE C#CCCCNC(=O)Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O 1531751319 KNYAHRLPYNSNTO-UHFFFAOYSA-N 455.518 1.986 30 10 JDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1539084830 CTEMYPCAJMRKLO-HBMCJLEFSA-N 495.646 1.436 30 10 JDEE CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)[C@@H]1CC(=O)N(c3ccc(C#N)cc3)C1)C2 1539917167 CCIZTKQGFCTQTB-GOSISDBHSA-N 452.536 1.746 30 10 JDEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1540012477 NUUMCNKAVVASRZ-UHFFFAOYSA-N 457.604 1.871 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1540858306 QEANDUPLRBUMDR-IBGZPJMESA-N 475.571 1.602 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@H](C(=O)NCC(F)(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540876210 KODJPPOVMXTGHK-MGPUTAFESA-N 488.511 1.126 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1540898328 HBTIBZNEMBGOTH-HNNXBMFYSA-N 490.554 1.771 30 10 JDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1547250402 FSYAEGMSGGGLGY-UHFFFAOYSA-N 459.576 1.203 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588045588 NDADYLHKLLBHCW-GHTZIAJQSA-N 468.583 1.164 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1588053298 CELOHNHQQPEHKW-OALUTQOASA-N 459.547 1.628 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588064744 ODYRNIVMQCYVRI-YADHBBJMSA-N 486.642 1.247 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2ccccc2CC)n1C[C@]1(O)CCS(=O)(=O)C1 1588253654 BRMMGRCIAMBMGR-HSZRJFAPSA-N 456.568 1.432 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCN(CC)S(C)(=O)=O)CC1 1588800690 MTNJZSXSGJHJGH-UHFFFAOYSA-N 496.641 1.558 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCCCC2)CC1 1588962314 ZCEZFUZSDMUZOW-UHFFFAOYSA-N 455.607 1.242 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1595292069 UHQGHPVQWSHSDB-KRWDZBQOSA-N 486.598 1.656 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1595517227 UHTBWJSIEIFBSN-UHFFFAOYSA-N 499.373 1.597 30 10 JDEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1([S@@](C)=O)CCC1 1618565440 HCGAOFBHBCRCKR-HEJPQYQCSA-N 458.588 1.848 30 10 JDEE N#Cc1ccc(S(=O)(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)cc1F 1661382906 ADLSIKVIBGXTKD-UHFFFAOYSA-N 453.517 1.338 30 10 JDEE N#Cc1sc(NC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)nc1Cl 1672173100 DGWGALRJWZWGFS-UHFFFAOYSA-N 455.905 1.634 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(OCC(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1689980187 NIJSMSFMEUACGX-LJQANCHMSA-N 487.626 1.718 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1690110444 MPWLJRFEHSHEIP-QGZVFWFLSA-N 476.507 1.565 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(=O)N2CCOCC2)CC1 1690112082 PKJUREYEYUWVRP-OAQYLSRUSA-N 466.586 1.649 30 10 JDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC[S@@](=O)C(C)(C)C)CC1 1690120418 UGYGRNOYYQIGRY-MGBGTMOVSA-N 491.687 1.541 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(COC)CC1 1690246146 RHCHUVMOYNXTJH-UFYCRDLUSA-N 481.619 1.375 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N1CCOCC1 1690262617 HRRGLQWAVSIVOT-UHFFFAOYSA-N 451.531 1.453 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(C)cc1)N(C)C 1690527113 JNOOOFGXQVYAAS-WOJBJXKFSA-N 462.620 1.845 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CCOCC1 1690574305 VSDLIRXEAXHLQS-OAHLLOKOSA-N 455.606 1.684 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)Cc1cccc(F)c1 1691003038 BGNMGIQFHYENKT-NVXWUHKLSA-N 462.551 1.274 30 10 JDEE COc1ccc(CCc2nnc(N3CCC(C#N)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1697401710 BHOURMXJDKUTAB-QFIPXVFZSA-N 459.572 1.361 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCN(c2ccncc2)CC1 1705480267 SIQPBNXCCRPUMG-BWKNWUBXSA-N 467.618 1.995 30 10 JDEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705535316 IWRMUOARHMEBRJ-UHFFFAOYSA-N 454.962 1.863 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705559492 BEHRBEOMKGCYJV-VOLVWJTLSA-N 492.573 1.724 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CC(=O)NCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1705571126 VZSRJDDINOXELI-QFIPXVFZSA-N 492.605 1.250 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cc(C)no2)CC1 1705640225 JPXQYFIQKHCBKS-IBGZPJMESA-N 471.562 1.686 30 10 JDEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CCNS(=O)(=O)CC)CC1 1705643388 DLNGELIUXJHNJF-UHFFFAOYSA-N 462.645 1.573 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(C(N)=O)CCCC2)CC1 1705644276 KUXBKBXOJGDERS-UHFFFAOYSA-N 471.606 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C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1722692836 YJJJYXQPHHWSCA-KNTRGWTASA-N 458.588 1.751 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(C)=O)C1 1722707359 MXWYOGAFYYUWGU-VQTJNVASSA-N 473.599 1.898 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCCCCC2)C1 1722718879 ODXKCPVNKIXNLX-RTBURBONSA-N 483.635 1.478 30 10 JDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)N(C)C)CC1 1722740151 LGFLKKGPDYRJQH-UHFFFAOYSA-N 461.592 1.135 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)CN1CCOCC1 1740553664 TUALONPNUPZFJD-VQTJNVASSA-N 452.607 1.878 30 10 JDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCS(=O)(=O)N1CCSCC1 1740558503 WEXDHVCCIVXINB-INIZCTEOSA-N 467.592 1.833 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCC(=O)N2CCOCC2)c1 1740562380 JMVKGVBFKCPCGM-UHFFFAOYSA-N 461.526 1.578 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCCC[C@@H]1C 1740611240 XQFLJVADHTVYRB-OALUTQOASA-N 452.625 1.335 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1740615966 OYFABBWUDWFLLO-QGZVFWFLSA-N 475.571 1.109 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1740623946 CVQWWWXQIYHUPI-QUCCMNQESA-N 490.655 1.519 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740624629 KDVQVZJSIHLFDU-ROUUACIJSA-N 490.655 1.237 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC(F)(F)F)c1 1740686222 PRTVSMJWPFLWAL-MRXNPFEDSA-N 487.504 1.651 30 10 JDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1740808327 HANISFMYCIBFOG-MRXNPFEDSA-N 450.975 1.094 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCN(CCC)C(=O)C1 1740951076 PKAAAJJFGPDLNW-UHFFFAOYSA-N 467.574 1.898 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1740957121 BVDNOUXTDHTYPW-UHFFFAOYSA-N 458.567 1.722 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1 1740964508 DLCVYKKXAVIZTL-CVEARBPZSA-N 475.550 1.293 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1740985262 FFWLOJCDNNASTK-XMMPIXPASA-N 496.593 1.933 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1740988051 RTCMWJXPMKZVCD-QGZVFWFLSA-N 475.571 1.374 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1748693177 ZUJJOGXGVHRBBF-ZWKOTPCHSA-N 457.556 1.273 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748803371 YAIUNOPYVFGMIJ-MOPGFXCFSA-N 478.663 1.554 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1748820629 GGNMLEYSPAIRKC-IAGOWNOFSA-N 459.538 1.742 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2c[nH]c3ccccc23)CC1 1748977845 KMXOOMIFMQALQA-GOSISDBHSA-N 469.615 1.758 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCOCC2(C)C)CC1 1749008929 DHWWXODKNCUILM-FQEVSTJZSA-N 458.607 1.596 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1749142356 YGQKILRZFYHCLG-SYAJIYQZSA-N 497.662 1.749 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCc2ccccc21 1749158881 MLNXPAPOXQDHQZ-NFBKMPQASA-N 475.615 1.847 30 10 JDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1749234533 GVMPVAXCHPWCMG-MRXNPFEDSA-N 459.576 1.418 30 10 JDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)n1)C1CC1 1749508572 UNZKSYWLWXILDH-MRXNPFEDSA-N 461.592 1.323 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1749671610 FXKMWBATIRVRQR-NQIIRXRSSA-N 456.566 1.857 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCNC(=O)CC1 1749678064 UVTNDPLYSKBCOF-UHFFFAOYSA-N 463.336 1.248 30 10 JDEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749689207 ARXZCJOWWOGGPW-GOSISDBHSA-N 469.571 1.866 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](C)C1 1749691093 YTSJGNREKSBUOU-CTNGQTDRSA-N 489.642 1.950 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1749721598 OQCAMYUMNWSMAS-MJGOQNOKSA-N 486.598 1.463 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C(C)C)C(C)C 1760116916 LDMBKFDLCJTKSU-RTBURBONSA-N 454.641 1.578 30 10 JDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1760135430 VTTWBBPKBVNBPY-SFHVURJKSA-N 488.639 1.668 30 10 JDEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760147894 HHTWURSHBFDKCX-UHFFFAOYSA-N 456.978 1.993 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCCCN1CCC[C@@H]1CO)[C@@H]1CCS(=O)(=O)C1 1760188133 IBBOMMGFGPQBTH-WOJBJXKFSA-N 474.631 1.147 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1760190568 XONWOCMMCWWHDJ-QGZVFWFLSA-N 468.539 1.427 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(SC)c1 1760220380 ZVOSZKMNDPCQTD-SFHVURJKSA-N 474.612 1.239 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1760315425 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C=CCn1c(C(=O)NCCOCCO)cc2c(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ncnc21 1873594955 JHQCFBNZHYQVHH-UHFFFAOYSA-N 495.540 1.591 30 10 JDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1=O 1874338150 NSYXEFZPHJZSHA-WAXRZFIUSA-N 489.514 1.141 30 10 JDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2)CC1 1889517066 VOAVRIGZAGCULR-UHFFFAOYSA-N 480.609 1.991 30 10 JDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4ccc5c(c4)OCO5)on3)CC2)CC1 1890581685 RISBIBZSTPSTPE-UHFFFAOYSA-N 466.538 1.942 30 10 JDEE CN(CC1CCN(C(=O)c2c3c(nn2[C@@H]2CCS(=O)(=O)C2)CCC3)CC1)c1ncccc1C#N 1891275220 JQMVSILUBZGNRE-LJQANCHMSA-N 482.610 1.987 30 10 JDEE CCn1c(=O)c2cc(S(=O)(=O)N3CCC[C@H](COc4cc(C#N)ccn4)C3)ccc2n(CC)c1=O 1891839182 OYYKUMDYLZVLST-SFHVURJKSA-N 497.577 1.949 30 10 JDEE C=CCC1(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CN(C(=O)OC(C)(C)C)C1 2249435512 PZYSRGQWELCTLV-KRWDZBQOSA-N 497.570 1.851 30 10 JDEE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2267149548 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C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1cccs1 1540905753 VUGOLEUXGFGUNL-HNNXBMFYSA-N 458.631 1.869 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCOC1=O 1541115583 BNWMESQGGDMEQE-QGZVFWFLSA-N 453.551 1.890 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CO)c2ccc(Br)c(F)c2)c1 1556799757 ULHCGMZPIXNCJJ-QGZVFWFLSA-N 455.305 1.963 30 10 JDEE N#Cc1ccc(CN2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)CC2)cc1 1586913282 DDNNPSIBMVLFFG-GGAORHGYSA-N 450.514 1.546 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCC(O)CC1 1587620478 FWQYLZAIVQXMDC-GOSISDBHSA-N 463.586 1.980 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc2c(c1)OCO2 1587861285 JIWLAJXVCBLMHN-LJQANCHMSA-N 461.544 1.390 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588045677 OMVDLUVPYOIKNM-QGZVFWFLSA-N 459.572 1.449 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc(C(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1588053305 CHNQJDGVMHUJNI-HZPDHXFCSA-N 497.668 1.435 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(N(C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588064726 NZZUZMXMHFFGMN-LJQANCHMSA-N 492.671 1.371 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)[C@@H](C)CC 1588233438 JCESESFIEDQTHF-OTWHNJEPSA-N 451.593 1.135 30 10 JDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1589383001 QVFDNOCVSSFCTH-KDOFPFPSSA-N 475.395 1.633 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1594192488 JJOSIJPKRKXTSX-WBVHZDCISA-N 494.584 1.944 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1595555785 HFDDSZFTXNPVMC-HNNXBMFYSA-N 468.455 1.815 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1595772464 AMKZTLPDCJWBAE-UHFFFAOYSA-N 474.631 1.319 30 10 JDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H](C)C1 1596172152 KNSCRRLLCQXQRD-YFUCQSNDSA-N 474.525 1.400 30 10 JDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1617734176 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IQQZLUQYFDPHRB-GOSISDBHSA-N 483.635 1.913 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1705628186 ZUQNQGYSTGCWNI-UFYCRDLUSA-N 459.570 1.952 30 10 JDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705658244 JQUQWSFYKSTAPT-GOSISDBHSA-N 454.604 1.234 30 10 JDEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1705664186 XFZLJIDLINTEFL-UHFFFAOYSA-N 458.613 1.798 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1705693356 FPRHAIIOBOCVAZ-BQFCYCMXSA-N 462.576 1.776 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1705737686 XWKHQSGIADQBRL-UYAOXDASSA-N 493.634 1.321 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccccc1 1705876005 MPOYYUKLPANQQX-SIKLNZKXSA-N 461.588 1.697 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(OC)c(OC)cc1C 1705903212 RGQNZCWVWJPPAC-INIZCTEOSA-N 477.587 1.444 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1705904096 FOTVBMLKKMJHIM-PKOBYXMFSA-N 459.572 1.833 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](C(=O)OC)C1 1705907674 UATSOERPPLLXFZ-NRFANRHFSA-N 495.628 1.334 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(=O)NC)CC1 1705933256 ZEEGMCXRKLLZPE-UHFFFAOYSA-N 461.544 1.237 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1705933296 BBNVDDIAXCEXHE-QRWLVFNGSA-N 467.979 1.979 30 10 JDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC(=O)N1CCCCC1 1710734357 ACAWJMBLKGJTCV-SFHVURJKSA-N 467.578 1.594 30 10 JDEE CS(=O)(=O)N1CC[C@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@](F)(C#N)C2)C1 1712703454 CCSYOBMLRBLSIF-JXFKEZNVSA-N 450.515 1.731 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCS(=O)(=O)N1CCSCC1 1722281906 AWXMDJPBWCHITJ-OAHLLOKOSA-N 456.638 1.033 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCNC(=O)C1CCC1 1722283752 WUIATAQIWQIBPB-KRWDZBQOSA-N 472.615 1.960 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCN2CCOC2=O)CC1 1722434478 SUBBMIYMJDLMRA-UHFFFAOYSA-N 454.531 1.560 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)c2nccs2)CC1 1722441260 OZDZYDOTVMTCOJ-MRXNPFEDSA-N 455.588 1.740 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(=O)COC)CC1 1722501194 FBPMPJVRANFIPY-WMZHIEFXSA-N 471.606 1.852 30 10 JDEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1722523348 PBNDAEASDRRRPB-SFHVURJKSA-N 474.635 1.794 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1722685474 HELDKFKDOIGBQX-ZWKOTPCHSA-N 499.634 1.803 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1722695536 GUNHRXYQWCUTPO-MRXNPFEDSA-N 483.964 1.693 30 10 JDEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722708097 JNVFSNURZKENKE-UHFFFAOYSA-N 454.575 1.434 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2C)C1 1722723612 ASWSZSZJTASAGG-IEBWSBKVSA-N 497.643 1.375 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@H](Cn2cccn2)C1 1722725056 CUTQDAKIGHYZDT-KRWDZBQOSA-N 460.535 1.787 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1722728459 WHHKYLQFJBCFQC-AEFFLSMTSA-N 497.643 1.618 30 10 JDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OC)nc2OC)CC1=O 1730788292 DGCMAUFADWAINW-UHFFFAOYSA-N 477.525 1.572 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1740615681 IXVFXJYSVXYTAW-FDDCHVKYSA-N 489.598 1.258 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1740631303 QBFAYZUOHMRTBV-DLBZAZTESA-N 466.608 1.510 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1740693030 SFUBUEMTOUUZLR-WATLYSKOSA-N 474.650 1.573 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CC)CCCC2)CC1 1740696544 WNJSITXELPJNMQ-LJQANCHMSA-N 464.636 1.337 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2ccncc2)CC1 1740700844 KHPIQRCPYJMJMS-UHFFFAOYSA-N 451.575 1.800 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1740704373 MUDMJWWTCOJKLS-QGZVFWFLSA-N 482.589 1.862 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1740751268 IKEMFVLROPGYBP-JXOCDABTSA-N 493.634 1.355 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCn2nc(C)nc2C1 1740951759 NAEMUKZLXQRGGD-UHFFFAOYSA-N 469.937 1.084 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC2(CC1)COC(=O)N2 1740955449 UUNQGYHZYRFXBZ-UHFFFAOYSA-N 470.530 1.733 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3CCOC[C@H]3C2)cc1 1740965250 FYJKDUCKCGRYLB-IEBWSBKVSA-N 476.603 1.022 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740988684 MTELUULJWLMBQC-MRXNPFEDSA-N 482.584 1.288 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1740993506 DCVMGDRQGMLARM-ZWKOTPCHSA-N 462.528 1.880 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@](C)(C(N)=O)C1 1740993779 IPSUYMFTPSQHPZ-FQEVSTJZSA-N 451.524 1.299 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1740993831 DOQDLLGIVJNPGE-GOSISDBHSA-N 461.588 1.742 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@]1(O)CCCC1(C)C 1741675641 GRFADOWEHVOVHS-MZNJEOGPSA-N 481.605 1.734 30 10 JDEE C#CCN(c1nnc(C2CCCC2)n1CCCCN1CCC[C@@H]1CO)[C@@H]1CCS(=O)(=O)C1 1748814650 IGRJZAXTNMKRCT-NHCUHLMSSA-N 463.648 1.799 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1748816295 YQDYNRZDEZFOBW-IMJJTQAJSA-N 462.601 1.425 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1748822141 YWFFIEVXEQWUQR-MRXNPFEDSA-N 477.612 1.201 30 10 JDEE C#CCN(c1nnc(CSc2ccccc2OC)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1748824379 OTSRFRPMFDWUBD-KRWDZBQOSA-N 491.639 1.684 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](CCC)C1 1749655608 NCQLXZWPEHPQGH-GOSISDBHSA-N 476.603 1.503 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@]2(CC=CCC2)C1 1749725688 UQRJTYCAKWHKCL-FXAWDEMLSA-N 471.649 1.816 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1749736865 QYOZKHRBMSXRDV-AVRDEDQJSA-N 461.588 1.639 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1749756085 RQUUFENKLFOULP-RRFJBIMHSA-N 450.652 1.357 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1760191246 DJHRIFLVNRLWNP-OFNKIYASSA-N 474.652 1.948 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1760191271 DPUMFTAWTVGJMZ-VGSWGCGISA-N 462.572 1.653 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1760191518 IULDXIPJQQMEOZ-UXPWSPDFSA-N 460.604 1.439 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCc1ccco1 1760242155 VDCXADBWXJORGZ-SFHVURJKSA-N 485.541 1.869 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cnc3c(Cl)cnn3c2)CC1 1760252684 UHLVRDDFXRRHOP-UHFFFAOYSA-N 455.954 1.110 30 10 JDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1760261790 CBVCMCMVCHKHPY-NRFANRHFSA-N 461.545 1.502 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCCC[C@@H]2C)CC1 1760268982 UHKNPLAEBUMXGJ-FPOVZHCZSA-N 469.634 1.850 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2CC(=O)N2CCOCC2)CC1 1760273438 UMUCVUZPDXSHAG-UHFFFAOYSA-N 496.637 1.703 30 10 JDEE C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760306105 BVGWNOUEBKKEIE-SFHVURJKSA-N 491.390 1.909 30 10 JDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760453210 YLDRZSQVIJYZFU-UHFFFAOYSA-N 467.574 1.128 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C(=O)NC)C1 1760517948 CVGGTAURKXDJSS-HNNXBMFYSA-N 481.326 1.100 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1760554257 XBTWYQBXLGPNMK-QHCPKHFHSA-N 483.598 1.694 30 10 JDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCCCO)C[C@@H]2C)CC1 1760622184 MDSRJAGDGITIJS-WMZHIEFXSA-N 465.602 1.968 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCCC2)CC1 1766882754 BNRHSRQGTUOBBO-UHFFFAOYSA-N 494.644 1.815 30 10 JDEE CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1767265426 ANBIUXRKPAELQE-DEOSSOPVSA-N 467.574 1.940 30 10 JDEE C#CCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CN2CCN(C(C)=O)CC2)cc1=O 1870561467 NXYZZOYJDBDOPL-QHCPKHFHSA-N 452.555 1.533 30 10 JDEE C#CCOc1cn(C[C@@H](C)O)c(CNc2ccc(C(=O)NCCN(CC)CC)cc2)cc1=O 1871008192 LGIACDHSYKICTR-LJQANCHMSA-N 454.571 1.925 30 10 JDEE C=CCC1(C(=O)Nc2c(I)ncnc2I)CNC1 2057389493 UMEWAARYBAERNE-UHFFFAOYSA-N 470.052 1.790 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2124538872 OKMIPBPZQKHKEA-MRXNPFEDSA-N 472.413 1.961 30 10 JDEE CN(CCCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)OC(C)(C)C 2255749973 BVZOZORMSOINQE-UHFFFAOYSA-N 458.390 1.255 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C[C@H](O)C1 2255843382 GKZBLQHDLYQABT-ZDUSSCGKSA-N 453.370 1.496 30 10 JDEE C[C@H](C[S@](C)(=O)=NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267504253 QANJLHBGIUZGEU-FZAOIFNZSA-N 470.401 1.871 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCOCCNC(=O)OC(C)(C)C 2267530398 ZKZHUVBWBHQLOM-UHFFFAOYSA-N 452.361 1.473 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)=C[C@H]1O 2268717000 IEQGLWITZWGKTP-LSDHHAIUSA-N 465.381 1.643 30 10 JDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H](COCc2ccccc2)C(=O)O)OC1(C)C 2269028636 DZXOOOWCORZMCN-OAHLLOKOSA-N 482.389 1.532 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3C[C@H]4[C@H](B5OC(C)(C)C(C)(C)O5)[C@H]4C3)O[C@@H]2C1 2279905325 IIDCBXVDWYKGGR-FQESAXDCSA-N 464.368 1.940 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@]1(=O)CC[C@@H](CNC(=O)OC(C)(C)C)C1 2282043984 MXZXBOXHMXUARF-UUBFPDNSSA-N 482.412 1.872 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2282342257 FDKKZAZVMUYPBR-IAGOWNOFSA-N 482.408 1.634 30 10 JDEE 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C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCCCCC2=O)CC1 1300729415 ZCWGWZYUJQUWIK-UHFFFAOYSA-N 483.617 1.159 30 10 JDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1300754521 BKBCKUXILKEZPQ-UHFFFAOYSA-N 452.544 1.797 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1300756922 WJSVQLVFNBQFER-CQSZACIVSA-N 458.510 1.491 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccco2)C1 1301257968 ICVWKDBDRWXHHJ-HKUYNNGSSA-N 465.576 1.791 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1301506451 LSOMTEIQAFAYLR-GOSISDBHSA-N 456.547 1.895 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1301593497 OHZLZSSQXGWROE-SFHVURJKSA-N 465.551 1.702 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(CCc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1301660040 HZZDIKXOMHEBKA-VHAJSEAWSA-N 491.596 1.894 30 10 JDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1309088834 XFSIZLBZKXRYBV-HNNXBMFYSA-N 454.570 1.314 30 10 JDEE 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C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2C[C@]2(O)CCOC2)CC1 1722444619 COTQJCLUZKHXSS-JOCHJYFZSA-N 488.386 1.825 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1722450498 KOUZKWOCNRAPGN-TZIWHRDSSA-N 457.623 1.121 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)C1 1722510643 VWDMZLRHHZIXLQ-BJLQDIEVSA-N 490.605 1.846 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1722536920 IPCMJEWSYFPGDT-BZSNNMDCSA-N 457.597 1.207 30 10 JDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1722619647 CNOBPOJTYPSSCV-UHFFFAOYSA-N 468.558 1.775 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(C)coc2C)C1 1722718571 LOGADNAIIXOSSY-MJGOQNOKSA-N 465.576 1.650 30 10 JDEE C=CCSCCn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1722739949 NCAKTEBAIKOVDB-NRFANRHFSA-N 450.609 1.843 30 10 JDEE CC(C)(C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1(O)CCS(=O)(=O)CC1 1722917714 FXKYGXSTFRFTMW-IBGZPJMESA-N 473.599 1.965 30 10 JDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)OC(C)(C)C)CC1 1729733491 HVRMCMKRWNSELY-UHFFFAOYSA-N 484.561 1.715 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCNC(=O)C(C)(C)C)c1 1740561915 HDXGXPKTRBDICC-UHFFFAOYSA-N 479.585 1.733 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(C(N)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1740618826 KSBGXULZXCINJD-MRXNPFEDSA-N 454.512 1.015 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1740622568 DSHCXTCOMWJZFM-ZWOKBUDYSA-N 487.582 1.332 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740623432 TWZKJKSYTGNWQE-HSALFYBXSA-N 488.589 1.298 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740627236 FNQLZCXLKGSVNR-LJQANCHMSA-N 463.579 1.963 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCCNS(=O)(=O)CC 1740630197 GMYOZHXJDXNLQD-UHFFFAOYSA-N 453.366 1.438 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCS(=O)(=O)N(C)C)CC1 1740700086 FFTOGEALVHRFHZ-UHFFFAOYSA-N 460.604 1.066 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1740764162 AUFCHRSOUMJUNM-VMXHOPILSA-N 456.609 1.853 30 10 JDEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1740765463 XWZXOMGQZNFOTB-OAQYLSRUSA-N 482.006 1.814 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1740865325 SMBYUIFUEDRFOD-DXIQSLLYSA-N 483.635 1.742 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(C(C)(C)C)CC1 1740959535 YYXUDNDRRNZGRR-UHFFFAOYSA-N 478.601 1.805 30 10 JDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@H](S(=O)(=O)NCC)C2)cc1 1740966734 PLWDDJPILJQXKL-FQEVSTJZSA-N 471.587 1.810 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2cccc(OC)c2)C1 1740982366 TUXXNOQZWYSZCQ-ICSRJNTNSA-N 489.598 1.400 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCO[C@]2(CCOC2)C1 1740994740 VSXSIMQQKZENDY-JOCHJYFZSA-N 462.572 1.762 30 10 JDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 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C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1749033885 PRRZPCQZYSABDO-SFHVURJKSA-N 453.547 1.933 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1749664018 DKTXIZPOFJZXNK-CYBMUJFWSA-N 454.428 1.891 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](C)N(C)C)C1 1749696029 NPOWNGRNXSPILQ-MJGOQNOKSA-N 462.620 1.927 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCC(C)CC2)C1 1749713743 XMOKABHROYSXEY-SFTDATJTSA-N 496.678 1.514 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1749738374 KVNZDTKGVCZWKX-JOCHJYFZSA-N 461.588 1.776 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCOc2ccc(Cl)cc2)C1 1750211005 BDLWUGNAPWHMFO-XLIONFOSSA-N 498.968 1.785 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1760189690 KZOPWRQYBRMWSX-LJQANCHMSA-N 455.540 1.849 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CCS(C)(=O)=O 1760246005 QEGGUIDKGVMHET-UHFFFAOYSA-N 459.341 1.977 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1760251888 KSLALLDXMYCCLM-QFIPXVFZSA-N 488.596 1.992 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[C@@H]2CCCCO2)CC1 1760256322 VAAFGYIYLGBAQF-NRFANRHFSA-N 486.642 1.910 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCNC(=O)C(C)C)CC1 1760272875 BXPFVALBOQFVID-WOJBJXKFSA-N 472.634 1.935 30 10 JDEE C#CCSCCn1c(C2CC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1760279364 APKIYFWRBCBBMY-IXDOHACOSA-N 481.644 1.648 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1 1760281732 QJYZAOUQGRXONO-CVEARBPZSA-N 464.592 1.265 30 10 JDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760285569 KIENNWARCATDJM-NRFANRHFSA-N 493.593 1.862 30 10 JDEE C#CCSCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@]1(OCC)CCOC1 1760286524 NGGRSIZSOOYJAN-QHCPKHFHSA-N 467.599 1.890 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1760520204 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Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(NC(=O)OCc2ccccc2)C1 2247950705 DKTFDXXXQVMWID-UHFFFAOYSA-N 476.364 1.019 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255643436 UKEAEPSLOQBBNN-CHWSQXEVSA-N 453.370 1.542 30 10 JDEE CC(C)(C)OC(=O)NCC1CN(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256617898 NCCSAAVHGHMMFA-UHFFFAOYSA-N 452.386 1.837 30 10 JDEE C[C@H](O)CN(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C(=O)OC(C)(C)C 2267129419 AOOTXHFQMDWFHR-AWEZNQCLSA-N 452.361 1.067 30 10 JDEE CC(C)(C)OC(=O)N1CC(C[S@](C)(=O)=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267139768 KWBSTTLJRNEFJA-YTTGMZPUSA-N 468.385 1.814 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)[C@H]2CS(=O)(=O)C[C@@H]21 2267188809 QZIZIFSXFVWYHE-GJZGRUSLSA-N 470.397 1.858 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267416804 AVFRKKHUTPRFMR-IRXDYDNUSA-N 468.381 1.556 30 10 JDEE Cc1nn(C)c(C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 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CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2282181253 CYDNSINNRTVKNA-INIZCTEOSA-N 460.384 1.662 30 10 JDEE C[C@@H](NC(=O)OC(C)(C)C)c1nc(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)n[nH]1 2282187227 GRTQEFVAZUHYTD-SNVBAGLBSA-N 462.320 1.070 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C)C2)n1 2282587094 IHNSJAZCMWPHMI-OLZOCXBDSA-N 458.290 1.731 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](COCc1ccccc1)CC(=O)O 2284458583 YQZQYNJRBWQMDG-KRWDZBQOSA-N 457.336 1.992 30 10 JDEE CCc1nnc(NC(=O)CSc2nnc(N/N=C/c3c(C)nn(C(C)C)c3C)n2N)s1 20911551 QNLVQINCZGBRPI-FBCYGCLPSA-N 463.597 1.977 30 10 JDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc2c(c1)OCCO2 514327087 DKCSHZKBMICNOK-UHFFFAOYSA-N 461.543 1.945 30 10 JDEE N#Cc1cccc(C(=O)N2CCN(CCOC(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)c1 586386132 ILMAPXCYUOBOHY-UHFFFAOYSA-N 474.517 1.936 30 10 JDEE COCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1[C@H](C)c1ccccc1 729669939 XMHRRJMSJPRHIQ-QGZVFWFLSA-N 473.558 1.432 30 10 JDEE C=CCN(C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1nc(C(=O)OCC)cs1 920243572 SEODWDXJDLXCFR-GFCCVEGCSA-N 454.530 1.004 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)c1cc(O)nc2ccc(S(=O)(=O)N(CC)CC)cc12 1127464548 UCCBSPHJCSOHRN-UHFFFAOYSA-N 455.558 1.302 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1NC(=O)CC1(C)C 1286296257 NPVGVMIJMCZAMD-GVDBMIGSSA-N 460.579 1.959 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)N1CCSCC1 1286296998 UMOYKLWYWSWXFU-MRXNPFEDSA-N 451.593 1.845 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@]2(OC)CCOC2)c1 1286312264 SWROFLKBJOFMJA-DEOSSOPVSA-N 466.542 1.262 30 10 JDEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(N2CCOCC2)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1286385972 RTMQUOMLAHOYHV-SZYSUKIFSA-N 493.674 1.688 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1286391832 JGUPWRFYEQTELY-LJQANCHMSA-N 458.584 1.831 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCCC1=O 1286420843 TYRXCTUTSOOHAP-LJQANCHMSA-N 482.610 1.522 30 10 JDEE C#CCSCCn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286512106 IWTUADVIQKYRJK-OFNKIYASSA-N 463.648 1.844 30 10 JDEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286707296 CVJPZTSADJIVED-MRXNPFEDSA-N 474.949 1.347 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2F)CC1 1286818880 RENJTRYXLHQBSY-UHFFFAOYSA-N 459.551 1.745 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](OC)C1 1286820244 HXZLFAHJMLHXEQ-MSOLQXFVSA-N 499.634 1.803 30 10 JDEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1288516321 AJBZVHUMLWLPGH-GFCCVEGCSA-N 462.436 1.609 30 10 JDEE C[C@@H](CC(=O)NC1CCN(C(=O)c2ccncc2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1299848929 DIJIDPNEHAOQFY-HNNXBMFYSA-N 455.540 1.320 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC(C)(C)C1 1300310143 KUESFGSEQYQGCC-ROUUACIJSA-N 452.625 1.191 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)c1 1300331335 JEOZUGHHIQGNOB-FPOVZHCZSA-N 464.549 1.989 30 10 JDEE C#CCCCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300424775 LHEYYWKJJJQJFL-GBXCKJPGSA-N 458.607 1.475 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)Cc1ccccc1 1300464336 BJUMXVSHCPJHSR-QUCCMNQESA-N 460.604 1.201 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1c(CC)nn(C)c1OC 1300511024 DEEITASEALTRHE-UHFFFAOYSA-N 495.609 1.621 30 10 JDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1300597693 QDHRPFKQNWIGMQ-UHFFFAOYSA-N 473.585 1.970 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1300682975 UOXMUZYGXQXTRZ-SBUREZEXSA-N 472.977 1.157 30 10 JDEE C#CCSCCn1c(N2CC[C@@H](NC(=O)NC3CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1300777963 ILPINPAFFSUIGY-GCJKJVERSA-N 462.620 1.725 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(NC(=O)OC(C)(C)C)COC1 1300780437 PUOUQTWRFDMAQR-FOIQADDNSA-N 482.607 1.174 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(F)cc1)N(C)C 1301296661 JHTADJSUAHLHAO-MOPGFXCFSA-N 466.583 1.675 30 10 JDEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1301432772 CWSXDJRHSNQPOT-OAHLLOKOSA-N 470.509 1.210 30 10 JDEE C=CCn1c(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301473987 PWAVUAATPLKELR-QPPBQGQZSA-N 462.639 1.736 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1301501972 AOCPDUNFKKAWOB-KRWDZBQOSA-N 460.529 1.750 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1301519649 RSCSQKWKHUEJBM-HNNXBMFYSA-N 465.601 1.505 30 10 JDEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCN1CCCS1(=O)=O 1303343175 GSBYLSYNVNLCEP-UHFFFAOYSA-N 471.587 1.492 30 10 JDEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1315136954 DIZLLUQELWZKEG-UHFFFAOYSA-N 467.574 1.554 30 10 JDEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1358905920 PKIRXIZIVSQPLD-IBGZPJMESA-N 487.630 1.691 30 10 JDEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1358936529 PRLBLWIHZPLLEW-IBGZPJMESA-N 499.616 1.691 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1358967276 HGSBGNZKOBQFRI-RBUKOAKNSA-N 490.582 1.298 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358967766 RKJVBFVIOXMWDZ-SGXKBVARSA-N 478.546 1.163 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCSC2)n1 1359028264 MJXZMXQHRMLJIG-OALUTQOASA-N 492.671 1.806 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@]2(O)CCO[C@H]2C)CC1 1359039458 JVVUNEMHQXNWLV-YADARESESA-N 455.559 1.551 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cnc(C)s2)CC1 1359041814 JMYFOPIAYNXSOL-QFIPXVFZSA-N 458.588 1.709 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1359150595 BRMAPNNWHADQIS-SJORKVTESA-N 462.016 1.801 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1359203621 RXFMETQIQOBYCI-FPOVZHCZSA-N 496.678 1.657 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1359215441 BOTKPBPTYAGHFF-FQEVSTJZSA-N 494.662 1.806 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1359259010 JKIIWSNAOXECDG-VQTJNVASSA-N 493.655 1.797 30 10 JDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1359293282 LXUPDEQVINDPCX-DLBZAZTESA-N 488.662 1.768 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1 1359329140 ZWLDXHJINOPBOA-UHFFFAOYSA-N 492.627 1.536 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](C(=O)NC)C1 1359333939 OTBNEHZLTGGIQZ-OAHLLOKOSA-N 452.606 1.197 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1359335089 ZVUZWIGHJUXVAA-HNNXBMFYSA-N 479.525 1.549 30 10 JDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1359345170 VWARCZSPXCTGPB-UHFFFAOYSA-N 455.632 1.928 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCC(=O)N2CCOCC2)c1 1507551807 ZOMJGOZMXXBUDX-FQEVSTJZSA-N 480.569 1.477 30 10 JDEE C#CCN(c1nnc(C(C)C)n1Cc1nc2cc(OC)ccc2n1C)[C@@H]1CCS(=O)(=O)C1 1507622173 GSJMQWHPZQRVED-MRXNPFEDSA-N 456.572 1.972 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc(Br)cn1 1507636553 HFLRHOUZLQGGID-UHFFFAOYSA-N 453.304 1.657 30 10 JDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCOCC1 1507642244 RFCZLYHABXXAIH-AREMUKBSSA-N 463.582 1.884 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccn(C)n1 1507705836 HJGFKVDXQHJXSN-UHFFFAOYSA-N 457.560 1.063 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCCCS2(=O)=O)n1 1507715713 BRHMHXMPKKONLY-IBGZPJMESA-N 471.587 1.723 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(OC)c1OC 1507764274 LEJNPFGNDUUPLP-IVZQSRNASA-N 477.587 1.955 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1508074910 SJCVVYPRYCUAHP-CALCHBBNSA-N 480.363 1.868 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccn2)C1 1508124397 LRZSJWYTIUXPBE-RTBURBONSA-N 462.576 1.030 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1508141833 PBYMGIHTCBCGQY-SFHVURJKSA-N 465.620 1.754 30 10 JDEE CC(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)N1CCOCC1 1508868698 BEYDIWZSRPJCLU-PMACEKPBSA-N 464.636 1.667 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CCc2cccc(F)c2)C1 1519562735 IDHDIZMTCRQWMK-IBGZPJMESA-N 462.551 1.733 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539212569 QRLWNSGAIXKESB-OAQYLSRUSA-N 483.594 1.887 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCNC(=O)[C@@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1539212624 WORXJVLAQGRUPB-ROUUACIJSA-N 458.588 1.519 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1539221004 NEBCKAGLJAFNGN-IAGOWNOFSA-N 481.500 1.923 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1539224481 HLPPUFCCICVGID-QGZVFWFLSA-N 468.576 1.069 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1CCNS(=O)(=O)Cc1ccon1 1539241894 KJOJKCJAKVMKPQ-UHFFFAOYSA-N 489.561 1.982 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCSC1 1539325036 ADXVVQSTOWLFEG-MSOLQXFVSA-N 451.618 1.217 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCCS(C)(=O)=O)CC1 1539441910 ZHLLUOYDIUODCQ-UHFFFAOYSA-N 461.588 1.542 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2CCN(CCN(C)C)CC2)CC1 1539463122 UFUOIMVEXFULED-GOTSBHOMSA-N 473.666 1.031 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(N3CCN(CC)CC3)nc2)CC1 1539483268 UXWIFVZMMZEKIG-UHFFFAOYSA-N 464.618 1.392 30 10 JDEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539505984 OMUSVMUHBHWYEC-UHFFFAOYSA-N 452.584 1.547 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1539512232 BCCHZNGBLFETNC-UHFFFAOYSA-N 451.556 1.713 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1539516975 GQOLBIRYKOUTHO-QZTJIDSGSA-N 463.633 1.596 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1539533314 OHENSWLNAFSQNR-UVUJQTEASA-N 490.674 1.357 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C(C)(C)C)no1 1539556837 IDPDWMWVFXDIDL-VGOFRKELSA-N 476.603 1.937 30 10 JDEE C=C(C)COCCn1c(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1539758658 KTNWEMUWHMYQNZ-UWDQQESISA-N 490.649 1.512 30 10 JDEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1540027203 RTOITJHEYWPEDZ-UHFFFAOYSA-N 472.565 1.658 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccnc2)C1 1540893181 YJDSQQKJYIKTGW-RTBURBONSA-N 462.576 1.030 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1540900347 SFGROZOULPFGMX-IBGZPJMESA-N 459.572 1.374 30 10 JDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1540917793 CYIHOOVDRBJTAI-UHFFFAOYSA-N 457.604 1.356 30 10 JDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(Br)cc2)CCO1 1555993081 HUZIRYIFUHSCRM-NVXWUHKLSA-N 480.388 1.914 30 10 JDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1587808042 MVFHEUWADCUOBV-OAHLLOKOSA-N 452.531 1.907 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588044969 DQBSXNWXSLRPDM-CTNGQTDRSA-N 471.627 1.849 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2cccc(OC)c2)CC1 1588233861 SXPPGACDKCOSGD-JOCHJYFZSA-N 497.621 1.814 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1OC 1588385413 HSPRRLIBBJQQSZ-GOSISDBHSA-N 467.979 1.781 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(F)(F)Br)CC1 1588733215 PFYJOZYDVQCHMN-UHFFFAOYSA-N 454.279 1.668 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)NC(C)C 1589171656 NJUNKZLBGNADNS-OAQYLSRUSA-N 479.628 1.669 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1589406663 ZBZCSNRYHZSLKH-DLBZAZTESA-N 485.427 1.354 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1593696355 NXWGHRLZMRUODL-FPOVZHCZSA-N 496.616 1.507 30 10 JDEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1595296655 HXSXLZYUPFKPMF-IBGZPJMESA-N 489.646 1.916 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1595475469 CPXMZOAQYCNWPP-OYLFLEFRSA-N 499.547 1.674 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)C1CCN(CCn2cccn2)CC1 1595523509 WWDCRWOQVCZQPP-UHFFFAOYSA-N 451.579 1.383 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1595545251 SWYWLBHGKCJBPJ-SFHVURJKSA-N 470.578 1.646 30 10 JDEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)cc1 1595640044 RTJANIXYVUUEGW-UYAOXDASSA-N 469.542 1.374 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1595820891 ACCRGGLKWNFYGD-OALUTQOASA-N 465.620 1.644 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@]3(CCCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595831522 RGUKYGPAJHHSMW-FCHUYYIVSA-N 468.620 1.926 30 10 JDEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1595884019 FRSKWLNMHBGSMZ-UHFFFAOYSA-N 464.636 1.293 30 10 JDEE CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H](C)C1 1596234225 AXRAHKUYGFFNHK-WGLILOHCSA-N 469.571 1.514 30 10 JDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](CO)c1cccc(Br)c1 1597303077 GXMMMQYKVRVGCN-HNNXBMFYSA-N 452.330 1.728 30 10 JDEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN1CCOC[C@H]1C 1613314247 HFGFJYURAWZSOI-ZWKOTPCHSA-N 455.611 1.753 30 10 JDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCN2S(C)(=O)=O)CCOC1 1616184486 AGAMLWLYNLHVFA-XLIONFOSSA-N 452.581 1.094 30 10 JDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)C1 1618852448 AIMVOCNFZLKKHQ-OAHLLOKOSA-N 450.421 1.885 30 10 JDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1689901466 KKRQQCCOUMIUSK-QGZVFWFLSA-N 459.597 1.700 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1689993968 OGUYXUXLGBHGJU-PKHCJMHPSA-N 474.652 1.991 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC1 1690206649 WNGRSCTZENVQIM-GHTZIAJQSA-N 450.609 1.089 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1690345810 DDQLSOYKNDUERB-HNNXBMFYSA-N 467.983 1.366 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CC1)CNC(=O)C2 1690433443 WHXQKLLLQBINFM-KRWDZBQOSA-N 480.635 1.320 30 10 JDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1690520355 SQMMMOOPRVXHFQ-QGZVFWFLSA-N 463.468 1.806 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1690669194 XOYIOEYXQZZWHC-UHFFFAOYSA-N 456.551 1.921 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)OC(C)(C)C1 1690724002 GAXGHTIUESBNSE-HNNXBMFYSA-N 460.622 1.175 30 10 JDEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1OC 1697332866 FCZGXEODFAQUEJ-HOTGVXAUSA-N 462.576 1.982 30 10 JDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705544635 YIFINAOKWSDLHT-OAHLLOKOSA-N 463.560 1.322 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1705561102 PZNWLZHAMGJQIA-IBGZPJMESA-N 487.630 1.671 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1705564686 CEZREJGUOUPAEO-BXKMTCNYSA-N 498.609 1.226 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C)CC1 1705653683 NAJSOQNVURFXOI-SFHVURJKSA-N 462.645 1.890 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1705819712 SHXOZPJLJROROR-HXUWFJFHSA-N 486.602 1.794 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1705903251 RVUBBHIHKCUGSQ-BRWVUGGUSA-N 451.593 1.266 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ccccc3[N+](=O)[O-])CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705909174 PMXWOCWGTODUMH-XMMPIXPASA-N 499.572 1.856 30 10 JDEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 1705911273 DDKZZBVCCKEJEK-UHFFFAOYSA-N 496.612 1.597 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1705927656 CSZANCPRZMHRBM-UHFFFAOYSA-N 492.621 1.869 30 10 JDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)CC1CC1 1706081690 GQDJYJPIOWDHFB-HZPDHXFCSA-N 479.628 1.899 30 10 JDEE 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1.830 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286389317 HZBFNWIFOCQERA-RTBURBONSA-N 462.620 1.120 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccnc(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1286394921 QEQJVKYLYIRLRV-HZPDHXFCSA-N 467.498 1.453 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCNC(=O)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1286399002 WERMRIZIWRKVRB-VQTJNVASSA-N 471.583 1.495 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2nncn2CC)CC1 1286495309 ZTRQZIHZASMMQU-UHFFFAOYSA-N 453.576 1.259 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CC(N)=O)C1 1286547522 OVOWZDYHUKSPEZ-ZWOKBUDYSA-N 453.547 1.998 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1286592669 QDMRMHPXLVUNJC-QZTJIDSGSA-N 498.650 1.880 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1286787166 PZTBMRPXRODJRN-UHFFFAOYSA-N 461.530 1.828 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2ccsc2)CC1 1286793894 PETVPNOSJMMTHD-ICSRJNTNSA-N 460.604 1.688 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(F)cc(OC)c2)C1 1286810632 UHFWEOJCAWVISS-AZUAARDMSA-N 495.577 1.588 30 10 JDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1299287923 HLFPAROXQKHJHG-JOCHJYFZSA-N 496.616 1.547 30 10 JDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(S(=O)(=O)NC)c1 1300460598 ZZQRHTQQSONOEM-UHFFFAOYSA-N 487.611 1.264 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1300488120 AWQWJARKPWAUEV-VGSWGCGISA-N 457.556 1.059 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCN1CCC[C@H]1CO 1300532701 YZLUBAUDEOLDCF-IBGZPJMESA-N 459.554 1.904 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1c2ccccc2C[C@H]1C 1300538995 WLFOPTPFLAYCTJ-KNQAVFIVSA-N 482.610 1.135 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(C)cc1)N(C)C 1300631265 OTLDDXVTSBJLHX-LEWJYISDSA-N 474.631 1.682 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@]1(N2CCOCC2)CCSC1 1300673457 LBJBAIJVSNSXQH-HSZRJFAPSA-N 456.616 1.558 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCCCO)CC1 1300726873 SGUPZLNXNKIZDO-UHFFFAOYSA-N 480.617 1.581 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCn2cc([C@H]3CCOC3)cn2)CC1 1300730637 DJODCESMNPXXAK-IBGZPJMESA-N 455.563 1.181 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1300732658 CBZHSBVNWIBZRY-QGZVFWFLSA-N 490.655 1.654 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1300971614 DMAMYKKVVOQVIS-INIZCTEOSA-N 486.639 1.975 30 10 JDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(CC)C(=O)C1 1300980049 CSUKYGUYQAZXJB-UHFFFAOYSA-N 451.535 1.572 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCO[C@H](c2ccccc2)C1 1301500708 OSNURTTWUURLEP-MOPGFXCFSA-N 459.572 1.450 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1301596465 PVOGRPOIKFAKPV-NRFANRHFSA-N 491.706 1.665 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(F)c1 1301967794 GVJHKCBRHKARMJ-SUMWQHHRSA-N 454.503 1.533 30 10 JDEE CCCN(C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1306782290 DIHUCZDRCKQZJY-FQEVSTJZSA-N 451.575 1.844 30 10 JDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1314700563 DLVWXPIPSXQHID-LJQANCHMSA-N 488.614 1.463 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1CCc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1358966782 WTGYVKDNLQYQLK-NRFANRHFSA-N 469.611 1.979 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCSCCCO 1358991811 PJKYQGHSKYUQKA-UHFFFAOYSA-N 450.568 1.771 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 1359035664 AOTUQCKKDPMDAM-PKTZIBPZSA-N 484.670 1.801 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(OC)c(F)c2)CC1 1359040493 XCFVLGPPXXPGPO-UHFFFAOYSA-N 482.560 1.870 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CC1 1359043269 OAJXWSYQZPMQAB-UHFFFAOYSA-N 454.556 1.217 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[C@H]2CC)CC1 1359045351 DGEYHVFTBXJNNO-MISYRCLQSA-N 461.632 1.972 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1359048086 DWRYKWIGHULYLY-MSOLQXFVSA-N 455.588 1.449 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1359064426 SCXPVAWZCWSVJO-VDNWNZSNSA-N 492.625 1.227 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1359126077 FBVZPGKEXHXXHX-DOTOQJQBSA-N 451.597 1.728 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1359297914 GTEBAQNRYGWVNO-INIZCTEOSA-N 453.503 1.052 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)c3cccc(F)c3)CC2)nnc1[C@]1(OCC)CCOC1 1359305504 FGIXJNCGTMJBNL-DEOSSOPVSA-N 486.548 1.334 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 1359311548 CRZRYTQKBKGHSV-ROUUACIJSA-N 486.539 1.949 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(CNC(C)=O)CC1 1359330037 DVGFOFJPLGBUFU-UHFFFAOYSA-N 461.588 1.907 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CC1(N2CCCC2)CCOCC1 1360644883 FDEAFYRNWPOOSG-IRXDYDNUSA-N 453.613 1.272 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC=CO2)c1 1507547967 OISDYCDNHPFIRN-LPHOPBHVSA-N 472.571 1.637 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1507630864 JBVPBBJJHGAIMD-IBGZPJMESA-N 484.582 1.565 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)CN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1507633212 RPCDSFUHGLHWJI-VSKRKVRLSA-N 492.690 1.420 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507633630 UGZSIMCNACQUEF-UXHICEINSA-N 470.599 1.382 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1507732205 JYOTWEPAUZBXRX-OAQYLSRUSA-N 486.642 1.599 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)CC1 1507751814 RHQFMPFOSIZPTJ-YLJYHZDGSA-N 471.649 1.373 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(F)c1 1507773495 RSYVXXYMSSUCLJ-GHTZIAJQSA-N 465.526 1.930 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@@H](C)C1 1507797645 MFNVIGHDYMJFRP-OYSTVDSJSA-N 453.609 1.684 30 10 JDEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507858180 GLEUGMBMHBOOOU-HNNXBMFYSA-N 477.982 1.439 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(S(=O)(=O)CC)CC1 1508073768 PIXNXEGSHSMGAN-UHFFFAOYSA-N 485.408 1.741 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1508074750 RSPRLRALAGLCJF-UHFFFAOYSA-N 462.576 1.116 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC2CCOCC2)CC1 1508133942 PXEJUBPFOASYHL-UHFFFAOYSA-N 484.626 1.966 30 10 JDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC(=O)N1CCN(c2ccccc2)CC1 1508404812 AXUHRAVYDSVSDI-SFHVURJKSA-N 452.563 1.361 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1CCCO[C@H](C)C1 1509682558 FNGNSGUXMKMVFU-HXUWFJFHSA-N 495.632 1.510 30 10 JDEE COc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)c1 1518401414 CZIYAFWSRWDUDP-QGZVFWFLSA-N 475.557 1.850 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCN(Cc2ccccc2)CC1 1539179547 PNEFQTZXEYAUSM-OAQYLSRUSA-N 456.616 1.067 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC[C@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539203739 UHUJSRXKZZPTGV-OALUTQOASA-N 464.636 1.308 30 10 JDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](C)C1 1539601282 YOYRQUDJHARMKT-IHRRRGAJSA-N 464.386 1.133 30 10 JDEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1539714556 LPBMBPPCPDUQLE-UHFFFAOYSA-N 468.606 1.656 30 10 JDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1539947024 HKHOOKUFBDWUSE-UHFFFAOYSA-N 490.634 1.423 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1540900010 IPBKISWYWNJXGF-LJQANCHMSA-N 483.598 1.944 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1540901816 QBWRWIINZNMOEF-UHFFFAOYSA-N 459.576 1.175 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@H]2CCC[C@@H](O)C2)cc1 1555990471 DLFMIZGAFIZIBR-RTBURBONSA-N 468.558 1.751 30 10 JDEE C#C[C@@H](C)NC(=O)CCCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1584674215 FWMQPFDMSLDXIL-OAHLLOKOSA-N 455.964 1.490 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCO2)c1 1587693374 RRXMQDKMGKOJKK-MJGOQNOKSA-N 457.556 1.415 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC=CO2)c1 1587693927 XNOVUAFAQNHFAK-UYAOXDASSA-N 469.567 1.929 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CCOC2)CC1 1587766706 XUMRUQFQMRVMQO-PMACEKPBSA-N 465.620 1.667 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1587861779 PNJDTFZGCQMZPR-MOPGFXCFSA-N 480.635 1.157 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc2c(n1)CCCC2)[C@H]1CCS(=O)(=O)C1 1588035914 ZKMRAQHAHQUKOA-RXVVDRJESA-N 487.626 1.951 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1588041740 ZJLJABBEIANPHV-JOCHJYFZSA-N 480.594 1.702 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1588055246 UJIONGXJLRRFBY-LZJOCLMNSA-N 464.613 1.768 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1Cc1c(CC)nn(C)c1OC)[C@H]1CCS(=O)(=O)C1 1588064862 QJGHOZNGJAQOIV-SFHVURJKSA-N 474.631 1.990 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCN(CC)CC1 1588124030 CEDSRLWFBLMXPQ-UHFFFAOYSA-N 472.597 1.292 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(O)cc1 1588233715 PGJZYSNLWAOGKM-HXUWFJFHSA-N 457.556 1.022 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H](CC(C)C)N(C)C)CC1 1588806418 PXVHAIROTKIAJD-FQEVSTJZSA-N 476.629 1.924 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)C)CC1 1588898841 FBGVVVHSKNIMLQ-UHFFFAOYSA-N 472.615 1.817 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1589068332 AITNAUAMNGVDRK-FQEVSTJZSA-N 487.651 1.899 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1589069609 MJLRVRSKBBJCDK-GCJKJVERSA-N 460.625 1.953 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCn1ccnn1 1589171407 FIVYQZZVVUUZLA-JOCHJYFZSA-N 468.587 1.869 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCC2=O)CC1 1589295411 GGAXEMFAPHXARE-ZDUSSCGKSA-N 475.413 1.388 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1595577577 XIXBXUQKQYSMPB-SFHVURJKSA-N 481.557 1.249 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1595745841 XIFLHHNNMVDVNY-GOSISDBHSA-N 474.587 1.138 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C(F)(F)F)C1 1595759944 HSDIRVFVKVDNSA-ZDUSSCGKSA-N 474.465 1.294 30 10 JDEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOCCCO)C[C@@H]2C)CC1 1596133189 CATFHXKWWQQJRB-GBXCKJPGSA-N 495.628 1.595 30 10 JDEE C=CCCC[C@H](C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 1596757886 GFTPWOUOTKJEQI-PMACEKPBSA-N 454.614 1.788 30 10 JDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCNS(=O)(=O)Cc1ccon1)[C@H]1CCSC1 1617733893 AIHMBSKKXSCJMZ-SFHVURJKSA-N 473.584 1.866 30 10 JDEE C=CCn1c(SCC(=O)N(C)N2CCS(=O)(=O)CC2)nnc1-c1ccc(Cl)cc1 1645408020 NURZYBUJUIAPGT-UHFFFAOYSA-N 455.993 1.980 30 10 JDEE Cn1cc(CNc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c(-c2ccc(C#N)cc2)n1 1652432340 FJRDKIWLKNEYLY-UHFFFAOYSA-N 450.524 1.691 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCO1 1682226099 CCNYNYWUCPQZGK-MOPGFXCFSA-N 457.531 1.594 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ncc(CC)s1 1689852545 HBFNYPKKICBRFV-HOCLYGCPSA-N 452.606 1.331 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nc(C)cs1 1689853067 OPYDQOWTKTZXLE-BPUTZDHNSA-N 452.606 1.638 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1689978508 XAZOYIHLVAOLTK-LJQANCHMSA-N 459.547 1.523 30 10 JDEE C#CCN(c1nnc(C)n1Cc1cccc(CN2CCO[C@H](C)C2)c1)[C@@H]1CCS(=O)(=O)C1 1689979417 AKMUOCCBDNTXOY-XMSQKQJNSA-N 457.600 1.482 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCS(=O)(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689986597 SXIYHNFHAUZOFV-MRXNPFEDSA-N 465.601 1.180 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689988209 LCGBXLZKDARPQA-KRWDZBQOSA-N 473.580 1.374 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689988672 UDXFLHVEJFABHH-LJQANCHMSA-N 459.620 1.570 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(=O)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689988903 YJFZIHHNHUTCIR-NRFANRHFSA-N 492.605 1.934 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1689990099 LPNIHDJQCNIWBV-DLBZAZTESA-N 452.968 1.697 30 10 JDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC1(CS(C)(=O)=O)CC1 1690052114 AVWFNOGHDJOKFU-UHFFFAOYSA-N 459.597 1.557 30 10 JDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCc1ccc(S(N)(=O)=O)cc1 1690082623 IPRWUQQQGWGKEI-UHFFFAOYSA-N 472.596 1.619 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1690134755 DNXLHAZIURQSEF-FQEVSTJZSA-N 483.642 1.844 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1690134982 NNOHZZHKKGITIR-HXUWFJFHSA-N 471.650 1.750 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@]2(O)CCN(C)C2)CC1 1690152493 NEJBYPPKRQVSKG-SANMLTNESA-N 496.612 1.288 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC1CCCCC1 1690266031 YMHMDDDHTWYUHM-SFHVURJKSA-N 468.624 1.462 30 10 JDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCS1(=O)=O 1690526771 DDRHZUMOYVIUAJ-INIZCTEOSA-N 470.596 1.244 30 10 JDEE CC[C@H](C)NC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1694227583 BNRMMZYDKPFDNF-FUHWJXTLSA-N 481.623 1.046 30 10 JDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1696476437 GYJQZPGFNPIDNL-UHFFFAOYSA-N 480.598 1.985 30 10 JDEE COc1ccncc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1697632567 HNUJTGHHIGYOGP-WIYYLYMNSA-N 475.575 1.193 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccc(OC)cc1 1705494774 FQSBXQUGHUILDY-FXAWDEMLSA-N 477.587 1.547 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1705526583 MQVTUMSJMQCCKD-ROUUACIJSA-N 459.528 1.723 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1705564732 POODFURJSZHZNR-IBGZPJMESA-N 455.584 1.939 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2oc(CCC)nc2C)CC1 1705648555 UIXBTKVCUFIFSW-GOSISDBHSA-N 488.614 1.443 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NCCOC)CC1 1705699349 FRVACWXOSQDYRG-VWPQPMDRSA-N 476.622 1.386 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@@]1(OCC)CCOC1 1705707587 NXPCWJHXZCLQKQ-SFYKDHMMSA-N 462.595 1.763 30 10 JDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1705721068 YBOFKYBYMLKSQL-UHFFFAOYSA-N 457.623 1.861 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1 1705885481 UEZDXBNFJNBMOO-IPMKNSEASA-N 481.594 1.765 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(Cn2ccnn2)CC1 1705895346 CNIMBCYCMNRCDD-UHFFFAOYSA-N 488.394 1.856 30 10 JDEE C=CCNC(=O)Cn1c(N(C)C2CCC3(CC2)OCCO3)nnc1[C@@]1(OC(C)C)CCOC1 1705908924 XUWNRLYUWQBGIT-JOCHJYFZSA-N 463.579 1.743 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1705931151 HPIJDSKYAUXAMU-GDBMZVCRSA-N 497.419 1.884 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1705936315 OAZNPPGOPUGQLH-SFHVURJKSA-N 482.628 1.813 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCN1CCOC[C@H]1C 1706626233 FYVMTJFLBFOZKK-NQIIRXRSSA-N 467.574 1.587 30 10 JDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1722366647 SBHXIVIQCLKVCO-NVXWUHKLSA-N 467.979 1.726 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCC[C@]2(CCOC2)O1)[C@H]1CCS(=O)(=O)C1 1722367734 WYUAZCIKCJQNBM-IHFIDZABSA-N 496.630 1.357 30 10 JDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722371095 HBVGIZIYIXMBPK-HXUWFJFHSA-N 482.610 1.680 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCCCCC2=O)CC1 1722448840 ASERNMOFFXIPRO-UHFFFAOYSA-N 494.644 1.898 30 10 JDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1722453049 NOAYJSHNNNPTBK-QGZVFWFLSA-N 455.650 1.966 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)NCC)CC1 1722701642 YOCULAKBXPFHSZ-UHFFFAOYSA-N 455.563 1.226 30 10 JDEE CCCN1CC[C@@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCO[C@@H](C#N)C2)C1 1728118928 GEFQAKWPUFACCY-QUCCMNQESA-N 487.630 1.656 30 10 JDEE CCN1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 1728628593 DIGBRHDJXTVYSK-UGKGYDQZSA-N 480.617 1.042 30 10 JDEE CCN1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)NC)CC2)CC1 1728632204 CAFWYXMAGSTQEU-UHFFFAOYSA-N 465.606 1.306 30 10 JDEE CCO[C@]1(c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCC(=O)N[C@@H](C)CC)CCOC1 1728814003 BATAYKRYIAVDAW-UQBPGWFLSA-N 496.616 1.828 30 10 JDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1729790959 BCTWKPNFXAHYBH-GOSISDBHSA-N 493.490 1.968 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)(C)C)CC1 1740574110 JRGOFFGUUNALPM-SFHVURJKSA-N 452.625 1.335 30 10 JDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(=O)(=O)CC=C 1740602413 TYDPUWYFFIYXGL-UHFFFAOYSA-N 450.590 1.217 30 10 JDEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1740619312 HQUFHUSTTYMCGU-IBGZPJMESA-N 480.594 1.892 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(CN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1740628783 UEUMYOCEORCPEJ-LEWJYISDSA-N 457.600 1.866 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCN(CC)C2)CC1 1740702895 AXOYEQPAWVJCME-CJFMBICVSA-N 472.634 1.626 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(N(C)C)CCOCC2)CC1 1740703511 VMYLHZDMTXAHMX-VWLOTQADSA-N 488.633 1.007 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2Cc2cnnn2C)CC1 1740707879 UGUKGWXZERQZOI-UHFFFAOYSA-N 480.598 1.722 30 10 JDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(CCS(C)(=O)=O)C1CC1 1740716180 MUMMUSUGJZOMSR-UHFFFAOYSA-N 451.574 1.386 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cn2)CC1 1740717188 LRWXQPXESPPMTA-MRXNPFEDSA-N 464.592 1.407 30 10 JDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740857169 GLSXBPBYEOYTAN-UHFFFAOYSA-N 452.519 1.802 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1740992635 SGZIVYSVUQSLDV-RBUKOAKNSA-N 465.620 1.516 30 10 JDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1748724108 KSJBAMDWQLBBAV-UHFFFAOYSA-N 499.641 1.054 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1748802067 KRTSMJMKGVZBBL-BZSNNMDCSA-N 451.593 1.104 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1748808855 HCCZBJDTBAEPOV-GOSISDBHSA-N 491.017 1.927 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1748811127 CANWEKIBSIFOLW-GOSISDBHSA-N 475.640 1.629 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1748812100 PVJPRDHEIODGJV-IBGZPJMESA-N 470.599 1.724 30 10 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C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1760137189 GIGTYHCZFLKULT-LJQANCHMSA-N 487.630 1.889 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ncn(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 1760183529 QRTPDCCDQZMFRG-SFHVURJKSA-N 453.572 1.831 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1760189068 GJWIIGDZIQVQKO-HXUWFJFHSA-N 481.578 1.956 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1760249513 NCQYUVDRGFXRJU-OALUTQOASA-N 495.646 1.913 30 10 JDEE C#CCSCCn1c(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1760286955 ZHQKAWMEZGRBSQ-RDPSFJRHSA-N 490.674 1.430 30 10 JDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCNC2=O)CC1 1760314866 ZWZQXLFJGHXUAM-HOCLYGCPSA-N 469.384 1.905 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(S(C)(=O)=O)CC1 1760326103 UFMVGQAJASYECC-OXQOHEQNSA-N 451.593 1.395 30 10 JDEE C=C(Cn1c([C@H]2CCC(=O)N2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1760363123 FMQYIGBUXVYEHK-VQTJNVASSA-N 473.599 1.973 30 10 JDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1760433435 GDCWQLWCFRFRTE-QFIPXVFZSA-N 458.588 1.878 30 10 JDEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 1760600751 CLQUKPSQMCVFDN-QFIPXVFZSA-N 456.572 1.655 30 10 JDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)C1CC1)C1CCN(S(C)(=O)=O)CC1 1768543875 HRMYONBGWGQDQW-UHFFFAOYSA-N 471.587 1.203 30 10 JDEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1769566694 FMMJKSWBFLEPRZ-SKPFHBQLSA-N 468.558 1.764 30 10 JDEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](COC(C)C)C2)CC1=O 1769878810 BHRITJYDPSFULF-RBBKRZOGSA-N 482.585 1.942 30 10 JDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C[C@@H](C)O1 1770960307 HHUZSVZFPQUDPL-VQIMIIECSA-N 463.560 1.404 30 10 JDEE CS(=O)(=O)CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O)C1CC1 1771354510 ACIQQIDTDAVILT-IBGZPJMESA-N 477.612 1.797 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2ccc(Br)cc2C1 1772566533 DLYQTILBZRSHLT-INIZCTEOSA-N 459.348 1.857 30 10 JDEE C=CCn1cc(OCC(=O)NCc2ccc(OC)cc2)c(=O)cc1CN(CCOC)CCOC 1870647722 FCPWJPUNSFAFSE-UHFFFAOYSA-N 473.570 1.833 30 10 JDEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)cs1 1889959039 XOFLIWZANRSRLH-UHFFFAOYSA-N 452.544 1.614 30 10 JDEE Cc1ccc(C(=O)NCC(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc1 1891109672 VRYGEUBHMCEZOQ-UHFFFAOYSA-N 454.615 1.762 30 10 JDEE C#CCN(C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2123489253 QIVCCLDTPABFRI-MOPGFXCFSA-N 478.567 1.662 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H](CO)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247894368 FYRIQJZXJKWPLM-LBPRGKRZSA-N 462.399 1.211 30 10 JDEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C2)C1 2256677571 YIXGPTDJZHEFNU-UHFFFAOYSA-N 450.370 1.845 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)(CCNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2267376821 AFAOYQILUVTCFX-UHFFFAOYSA-N 488.437 1.698 30 10 JDEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267499508 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C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)s1 1161127252 WXWZMIZSPDUXMB-CQSZACIVSA-N 459.590 1.507 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2Cc2nncn2CC)c1 1286310919 HTTOMIWDWDAHSE-UHFFFAOYSA-N 455.526 1.980 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1286388913 CQFMSIOKBQSONG-ZCNNSNEGSA-N 471.583 1.114 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OCCOC)cc1)[C@@H]1CCS(=O)(=O)C1 1286389465 KKAFJWHKLORVIF-HXUWFJFHSA-N 484.582 1.379 30 10 JDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1286400528 HPLGHXUJKINSOG-DNQXCXABSA-N 473.643 1.599 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2cccc(C(=O)NC)c2)CC1 1286472236 FRWQULBMZRAGRU-SANMLTNESA-N 480.613 1.676 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1286485712 VPXRFVBUGWIOSU-MOPGFXCFSA-N 456.591 1.685 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2CCN(C(C)=O)CC2)CC1 1286487352 VJERWVRAACDTOP-UHFFFAOYSA-N 492.584 1.150 30 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30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CC1CCN(CCN(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1300500745 CQYUHAOKWDOEHM-QHCPKHFHSA-N 499.685 1.164 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1300502475 VMVQVGWEVALSJQ-SJORKVTESA-N 451.499 1.315 30 10 JDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1300502888 ZFQKJUZHPDSCQC-IBGZPJMESA-N 489.623 1.343 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1300553741 QUTDGLHWQNCYRB-TZIWHRDSSA-N 488.658 1.864 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1300723059 PIKKDKGBWOUUHF-RBBKRZOGSA-N 471.650 1.512 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1300885302 OOECBYXEGJCIRV-BJLQDIEVSA-N 459.595 1.794 30 10 JDEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300914611 FMZXZYXVYZTCOC-QFIPXVFZSA-N 475.619 1.404 30 10 JDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1301085623 OJXXJBAULJMSAU-SFHVURJKSA-N 464.613 1.983 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1301520560 IQWHVPWSMRJIKA-GRWTVWFQSA-N 459.522 1.541 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1301596619 UNIHDUIQPPQBKI-HXUWFJFHSA-N 494.662 1.301 30 10 JDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1314529362 CLLSRGGIIINEIH-UHFFFAOYSA-N 454.560 1.312 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2c(C)cnn2[C@H]2CCN(Cc3ccccc3)C2)C1=O 1356624090 YOZJTVVYFWFGBJ-SFHVURJKSA-N 450.499 1.554 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNc1nccc(C(F)(F)F)n1 1358891172 ZZXSRRNUWGRDRF-CHWSQXEVSA-N 457.482 1.559 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(CC)C2)c1 1358901264 FLLRYRABHMXTOO-IEBWSBKVSA-N 487.630 1.286 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCS(=O)(=O)N(C)C)c1 1358901332 HHIFEHLBSQKPPJ-UHFFFAOYSA-N 467.555 1.288 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccnc(C(C)(C)C)n1 1358948845 MVDQDQLTRALQKA-GOSISDBHSA-N 475.619 1.401 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCC1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1358955123 DZHUQADDGWYZRV-HXUWFJFHSA-N 499.641 1.674 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCCSC)[C@H]1CCS(=O)(=O)C1 1358961966 HQHYRLBYSXKGDO-HNNXBMFYSA-N 465.601 1.776 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)Oc2ccccc2OC)CC1 1359029472 YTNUSMCNRUXLAI-ZWKOTPCHSA-N 476.603 1.120 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(S(C)(=O)=O)CC2)CC1 1359030933 KPBGQUAMUDJJBK-UHFFFAOYSA-N 481.420 1.379 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1359031685 LSEHBOMUHSVDDS-QFIPXVFZSA-N 460.630 1.846 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1359031893 SQWJJUXAYNYEJN-GMAHTHKFSA-N 498.653 1.932 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCCN2CCCO)CC1 1359042905 YMMCCUKBAKSLQD-FQEVSTJZSA-N 454.575 1.659 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCCN2CCCO)CC1 1359043061 FQGOMKDAXLGNLA-HXUWFJFHSA-N 453.591 1.096 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1359044771 OEQXDVGIHZIKGQ-PKTZIBPZSA-N 486.661 1.885 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)c2ccco2)CC1 1359302822 VETZIZQRFAJDKU-UHFFFAOYSA-N 455.544 1.491 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](Cn3nc(C)cc3C)C2)nnc1C(C)(C)C 1359335717 SMNWXSDOWJBELU-SFHVURJKSA-N 450.609 1.895 30 10 JDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCCN1CCCO 1359851742 DDRIZUILMHHSDF-OAQYLSRUSA-N 452.607 1.917 30 10 JDEE Cc1cc([C@](C)(O)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c(C)o1 1360997220 CZJJRNDOOFWWRW-MJXNMMHHSA-N 454.528 1.448 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(N4CCNC4=O)ccc3F)CC2)cc1 1464023159 FIMZUHVPWCEICH-UHFFFAOYSA-N 457.487 1.374 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc2[nH]ccc12 1507538239 LDDZZOWAMLBANS-OXJNMPFZSA-N 456.572 1.793 30 10 JDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1507559081 XLAFTKZAWWDOMX-NQIIRXRSSA-N 484.626 1.961 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1507639617 LIZALFRUDVJPKV-FQEVSTJZSA-N 489.667 1.841 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1507741647 YFWPAZAAIAHVFZ-RTBURBONSA-N 460.623 1.668 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COCCOC)C1 1507796038 GKJULQKTKJHHLM-ZRNYENFQSA-N 468.620 1.651 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C 1508129399 BXOOYZLZZJEYGI-JENIJYKNSA-N 481.644 1.872 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(CCc2ccccc2)CC1 1508145804 QEDPPYUUKFYUPJ-OAQYLSRUSA-N 459.616 1.748 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 1508148607 JMAXQWXQBPHNAC-WHSLLNHNSA-N 453.609 1.499 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539212211 NNVRZGMMZVENOH-CTNGQTDRSA-N 457.600 1.921 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539226203 UXPMGJQKYWYFFT-KRWDZBQOSA-N 451.593 1.724 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1539246160 PKPZZWAXGAQLFN-DEOSSOPVSA-N 480.594 1.279 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(C)c1 1539265547 HPILKAZTGMRBLC-HXUWFJFHSA-N 457.556 1.071 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CN(C)C1=O 1540121573 UBDOZUGODOZRHJ-OPAMFIHVSA-N 471.587 1.431 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@@H](CNC(C)=O)C1 1540864885 OHVMGCABBSAHKA-QAPCUYQASA-N 472.615 1.775 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1540875349 IUGZNDYRKGVMGZ-MRXNPFEDSA-N 456.522 1.793 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1540897570 MURMALQEUCJHQR-HXUWFJFHSA-N 489.598 1.701 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1540900015 IVIVSBSDEWQACR-CABCVRRESA-N 450.952 1.309 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1540903300 BBWGXMQCSBZCRT-YWZLYKJASA-N 467.617 1.619 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1540904238 KQDHIAXAWOAQAD-IBGZPJMESA-N 454.556 1.917 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCN2CCOC[C@@H]2C1 1540907323 SIULEVASTBZQLV-FQEVSTJZSA-N 475.615 1.596 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1cc(Br)cn1 1541104552 AEAGMGMMTFSMNX-OLZOCXBDSA-N 473.401 1.533 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1547749898 CFVIQRDVJWWOKA-IBGZPJMESA-N 467.574 1.996 30 10 JDEE CCn1cc(S(=O)(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)[C@@H](C(N)=O)C2)cn1 1548367698 GRLQUYYUQVQLDB-MRXNPFEDSA-N 456.450 1.158 30 10 JDEE COc1ncccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1555126762 FPAHAANVCSCQRH-SFHVURJKSA-N 475.575 1.193 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)C(C)(C)C)c1 1587692623 HARVEVFIYMWMBG-GOSISDBHSA-N 486.598 1.499 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1588034622 JFYCSAFZFQEJMB-MOXWOTFGSA-N 466.604 1.108 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1588045675 OKRATEAEBSFETK-VGSWGCGISA-N 462.572 1.368 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1588185864 OOHIKOGIDIDNPU-HSZRJFAPSA-N 471.583 1.350 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1CCC(=O)N1CCOCC1 1588473883 XVAVRQHLQYPMPX-RUZDIDTESA-N 485.560 1.958 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1588768481 GJXMSRYAQKUEKV-AWEZNQCLSA-N 484.445 1.959 30 10 JDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1589060616 UXGPWAJGSRKQFT-NRSPTQNISA-N 460.648 1.527 30 10 JDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2nn(C)c(=O)cc2C1 1589306440 ZMDNTIRBJKMFPS-CYBMUJFWSA-N 453.341 1.567 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1589544919 KRFXKRBVECUXJX-VMBXEPDQSA-N 460.623 1.800 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNS(C)(=O)=O 1589662855 COOAMAZWXHCKAI-INIZCTEOSA-N 472.612 1.538 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCCN2CC)CC1 1594097383 SCEZPIFZYRNABY-OALUTQOASA-N 452.625 1.642 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(OC)cc1 1594962938 ODTVVQSINOZXJW-VQIMIIECSA-N 465.576 1.709 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)nc1 1595161749 KPSYTDKKOUNMPD-INIZCTEOSA-N 472.596 1.977 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1595555583 DFURBGMEGOKKMO-IBGZPJMESA-N 456.522 1.138 30 10 JDEE C[C@H]1CN(c2ccc(Cn3c(C(=O)N4CCCC4)nnc3N(C)C[C@@H](C)C#N)cn2)CCO1 1596782028 GJNFWTKQGOHAJI-ROUUACIJSA-N 452.563 1.778 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCS(C)(=O)=O 1609508552 BHNOCDCPVPQIAY-SFHVURJKSA-N 460.560 1.301 30 10 JDEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1 1617575206 GVZAQNBLSHMZJH-NTKDMRAZSA-N 470.622 1.473 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4cncs4)CC3)CC2)cc1 1642009606 AQYUHSSKAMUJOF-UHFFFAOYSA-N 459.597 1.760 30 10 JDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)OC)c1 1643004381 KKNRFKXDZVGFKF-SFHVURJKSA-N 458.515 1.800 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCOc3c(Cl)cc(Br)cc3C2)C1=O 1648443733 MRFYAHXMZYWFJY-UHFFFAOYSA-N 456.680 1.800 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 1685846402 YCIMHFWYPVBQLM-FDFHNCONSA-N 459.616 1.082 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCS(=O)(=O)CC)c1 1689871857 HIMPAXOUAWSDKC-UHFFFAOYSA-N 466.567 1.755 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1689916871 ZTCLTZYQZYMEFH-LJQANCHMSA-N 485.614 1.649 30 10 JDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCNS(=O)(=O)CC 1689961342 ULTXDWJGURSVFG-UHFFFAOYSA-N 457.560 1.074 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCn1cnnn1)[C@H]1CCS(=O)(=O)C1 1689982207 JLNMHWHGOFVONT-KRWDZBQOSA-N 460.951 1.302 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1689993518 GCLVKTKNBLBJJO-GBESFXJTSA-N 464.613 1.609 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)N(C)C 1690019590 MOIRGOIEJPHJGA-GOSISDBHSA-N 458.563 1.528 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)CC1 1690132452 QTEIHARUQHZFPM-UHFFFAOYSA-N 468.583 1.309 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1690137377 WVEXWAQCIRJQTP-HKUYNNGSSA-N 465.558 1.564 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCN2CCN(CC)CC2)CC1 1690148251 AFBAZPOGKRGXBQ-UHFFFAOYSA-N 478.645 1.257 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1690148727 RLKMQNQNRVHNIC-IBGZPJMESA-N 499.637 1.668 30 10 JDEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1690631285 ZRGJBWKVLAANEE-FQEVSTJZSA-N 477.587 1.779 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1690676279 VIZVAZVNSCIXMF-PZJWPPBQSA-N 454.575 1.625 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1690726812 MIFKUGUHVYUAQM-NRFANRHFSA-N 474.631 1.413 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCc2ccccc21 1691003229 DYPGWHXHYWVSES-IMFGXOCKSA-N 458.588 1.937 30 10 JDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCC1(O)CCOCC1 1691024148 CBLDJSRMKMSHCQ-ROUUACIJSA-N 491.614 1.918 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccnc2OC)c1 1705504595 BGPOOZZMOHAQAX-IBGZPJMESA-N 459.510 1.737 30 10 JDEE C#CCCCCn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705520702 COANDRMFSVSNGM-GOSISDBHSA-N 466.542 1.206 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1705559361 YZZCMHOLPAXISH-IRXDYDNUSA-N 477.562 1.650 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1705560883 OENPXICYWRVEEP-IAGOWNOFSA-N 474.612 1.838 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705560967 MDPRJAKDJSSFRQ-MAUKXSAKSA-N 464.510 1.899 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705562693 HYZKCMIRLZDFQW-XLIONFOSSA-N 478.018 1.946 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1705564184 AVUZIPYGQQRTNC-MOPGFXCFSA-N 474.583 1.669 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1705568643 SKGPMBMOSYFCED-AWEZNQCLSA-N 485.488 1.004 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)F 1705598152 CHKNKAZIRWMQNW-QGZVFWFLSA-N 463.510 1.730 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@@H](COC)OC)CC1 1705651485 YLHKHRVJCRLSHB-NRFANRHFSA-N 464.570 1.908 30 10 JDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1705739801 RUKBXFKNAKAVPC-UHFFFAOYSA-N 484.649 1.867 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1705819756 TWZVZDKILADBAJ-IBGZPJMESA-N 493.634 1.504 30 10 JDEE C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1)N(C)C1CC1 1706886944 GBUSISUAWJRQCM-ZWKOTPCHSA-N 486.646 1.569 30 10 JDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722330977 YMXUIMSTAZTBTH-UHFFFAOYSA-N 468.558 1.950 30 10 JDEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722336814 QIAAGZKZBGGQGU-UHFFFAOYSA-N 456.497 1.488 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1722359249 KBRGLAANJATRHQ-ICSRJNTNSA-N 492.623 1.400 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1722359581 UTBRURAQBKVVDI-GBESFXJTSA-N 497.687 1.407 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(C)(C)O)cc1)[C@H]1CCS(=O)(=O)C1 1722365352 DJRPDINSPFNJBU-RBUKOAKNSA-N 471.583 1.132 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCOc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1722372214 RMMSAEVGDPTDGV-INIZCTEOSA-N 493.536 1.384 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1722457423 DMRQKEWWMUGRIC-KRWDZBQOSA-N 453.576 1.443 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1-n1cccn1 1722517983 RHNRFPOSTMANCJ-IBGZPJMESA-N 486.602 1.642 30 10 JDEE C=CCCOCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722622455 NCZGUHVDQAEFOS-SJLPKXTDSA-N 488.976 1.811 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2CCCC[C@@H]2C1 1722693597 UNNAXSNQPSBHFG-GOSISDBHSA-N 458.588 1.325 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1722700243 BZKJFTCTHYMDRS-UHFFFAOYSA-N 469.590 1.810 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1722700357 GJCXCHNONHWVBE-QGZVFWFLSA-N 452.588 1.906 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1722732635 QYZDRJKYLNGTIY-NXHRZFHOSA-N 490.586 1.436 30 10 JDEE CC(C)C(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 1723089734 DYPMYEMIMNPKRE-HXUWFJFHSA-N 499.641 1.541 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1740618941 LRDYCQRBXFZBGV-DZGCQCFKSA-N 468.377 1.699 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1CC1(S(C)(=O)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1740623831 BMUFUSFYDVOQPR-GOSISDBHSA-N 468.645 1.605 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CC1(O)CCS(=O)(=O)CC1 1740676356 ANVYHHOHUGRCJJ-UHFFFAOYSA-N 470.530 1.454 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2Cc2cnnn2C)CC1 1740690711 LQIREUDZRHDWLV-GOSISDBHSA-N 450.547 1.749 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1740701939 SRJMFLJKOJOQFU-KRWDZBQOSA-N 474.587 1.094 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC(=O)N(C)C)CC1 1740703583 XVUUCBGGTHTTSV-UHFFFAOYSA-N 490.406 1.870 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1740705376 GNZLLCWPFXYVNV-JOCHJYFZSA-N 499.637 1.753 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1740788441 STWHRYRIKOQQEN-INIZCTEOSA-N 480.566 1.473 30 10 JDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1740795999 KJJBVRPIAPLALB-UHFFFAOYSA-N 456.522 1.986 30 10 JDEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1740938655 KHKLYQHNDISZRH-IBGZPJMESA-N 458.943 1.926 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1740958945 XNSMYITZZOHOQD-FUHWJXTLSA-N 454.506 1.770 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCCCC2)C1 1740981511 PFKMZYLZIDYHPN-ROUUACIJSA-N 469.608 1.088 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740989935 CGHOVHUEPNRRMX-INIZCTEOSA-N 453.590 1.263 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1740994777 WWCGMEUOJOSLRG-IRXDYDNUSA-N 466.491 1.711 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCCN1C(=O)NC2(CCCC2)C1=O 1748637594 DCKZBFAMMCNYGU-INIZCTEOSA-N 457.579 1.909 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1748751527 IHLZVVIHYGHEQF-RDJZCZTQSA-N 465.601 1.438 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CCCS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748805502 SOZARMAPFPKYNE-SFHVURJKSA-N 464.613 1.892 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCCN1c1cc(NC)ncn1)[C@H]1CCS(=O)(=O)C1 1748817076 DTMXUIXCIMCBPF-MOPGFXCFSA-N 486.646 1.604 30 10 JDEE COc1cccc([C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)N(C)C)c1 1748894236 FJQCEQVOYBAPBP-LQBOVUBWSA-N 476.578 1.934 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2cc(C(F)(F)F)ccn2)CC1 1748971645 YCUPGGPGJUVLKT-UHFFFAOYSA-N 461.492 1.926 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CC(F)(F)CO2)CC1 1749015420 DKNZLSLYUQUKDS-GOSISDBHSA-N 461.517 1.530 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1749114997 KGXINKMXIHZYQZ-SJLPKXTDSA-N 468.624 1.306 30 10 JDEE C=CCNC(=O)Cn1c(N2CCn3cc(C(F)(F)F)nc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1749681647 FLSZJKKSOIBLQV-HXUWFJFHSA-N 483.495 1.856 30 10 JDEE CC(=O)N1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1749846523 PNNVSKRFSQRYPZ-FRKCRFBYSA-N 497.531 1.752 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(Cc4cccnc4)n3CCNC(=O)C(C)(C)C)CC2)c1C#N 1751827546 GBTGJSGOMPDAHA-UHFFFAOYSA-N 490.616 1.666 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(OC)ccc1OC(F)F 1760115938 CZDYKJTYVUQREB-KSSFIOAISA-N 499.540 1.727 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2cnn(CC)c2)c1 1760126877 LLNIOEKEBXDTFB-UHFFFAOYSA-N 460.542 1.835 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1760180463 FUYNXDRZRHULED-WBVHZDCISA-N 484.575 1.229 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCNS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1760183197 NKNZUWHPRXXXFG-IBGZPJMESA-N 479.628 1.074 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760188288 OIDNXGSQZFFBQQ-HOJAQTOUSA-N 470.599 1.381 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1760269550 LEOVYHUNEDUQMI-WSTZPKSXSA-N 477.631 1.351 30 10 JDEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760350829 UJHGIPOJPNTOEK-OAHLLOKOSA-N 464.368 1.853 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1760358766 YWBQZIXHWFQTHJ-HOTGVXAUSA-N 465.542 1.846 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1760528120 SLIXBTUUFFEFLZ-QGZVFWFLSA-N 451.531 1.895 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1760546896 YLVGMORYIVLBKL-UWJYYQICSA-N 450.536 1.339 30 10 JDEE COCc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cc1 1769348872 HGLUCYVMRMHOJR-VQIMIIECSA-N 462.576 1.544 30 10 JDEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(O)c(O)c2)cc1OC 1862569716 SSTPXJNGURJGIW-FQEVSTJZSA-N 456.451 1.829 30 10 JDEE N#Cc1ccc(COc2cn(Cc3cccnc3)c(CN3CCN(CCO)CC3)cc2=O)cc1 1870348725 KCHFRNHVIVSHET-UHFFFAOYSA-N 459.550 1.852 30 10 JDEE C=CCn1cc(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)c(=O)cc1CN1CCCCCC1 1870428592 JVRFWIFHOFUMRA-UHFFFAOYSA-N 465.558 1.904 30 10 JDEE C=CCN=c1nc(Nc2ccc(N3CCN(C)CC3)cc2)[nH]c(N2CCN(c3ncccn3)CC2)n1 1871656464 AVRJXCHXZYFUCC-UHFFFAOYSA-N 487.616 1.503 30 10 JDEE C=CCn1c(C(=O)NCCNC(C)=O)cc2c(N3CCN(c4ccccc4OC)CC3)ncnc21 1873594795 BVLASASBXREXCX-UHFFFAOYSA-N 477.569 1.818 30 10 JDEE CCn1c(=O)c2cc(S(=O)(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)ccc2n(CC)c1=O 1891878159 YAQWJSZVSOFPLC-OAHLLOKOSA-N 484.538 1.097 30 10 JDEE CS[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248485075 GAPCDQDYBHWMAL-GHMZBOCLSA-N 458.415 1.843 30 10 JDEE Cc1nc(S(=O)(=O)NCC[C@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2267474441 VCZIFAYXFRRSJD-ZDUSSCGKSA-N 472.417 1.609 30 10 JDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2267474444 VEMMQDSXVKSBOQ-HNNXBMFYSA-N 490.453 1.695 30 10 JDEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267538059 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498.584 1.054 30 10 JDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1359131584 YOXGJPABQOPJHW-INIZCTEOSA-N 451.531 1.452 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(OC)ccc1OC)C1CC1 1359251268 GZPWQXINKSMPKQ-FQEVSTJZSA-N 477.587 1.831 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](n2cncn2)C1 1359293779 ZJUIUZTVCAWHSL-CQSZACIVSA-N 460.340 1.771 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1359330799 DGFVTLBPWXGTLS-SFHVURJKSA-N 498.613 1.838 30 10 JDEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC(C)(C)O1 1360820440 ADGPIAVZFFNMID-JOCHJYFZSA-N 459.572 1.760 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 1464847878 MBJWPGKZRSMQDL-KDURUIRLSA-N 455.559 1.974 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)C1=O 1471428376 ZGABUHHCKGKFQT-JOCHJYFZSA-N 450.536 1.753 30 10 JDEE Cc1cc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@](F)(C#N)C2)on1 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C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)C(C)(C)C)C1 1508125453 OZHLOALNCCQGMX-CVEARBPZSA-N 460.622 1.175 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1508162522 QZEZMAYOKIBPMU-IAGOWNOFSA-N 489.689 1.104 30 10 JDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCS(=O)(=O)C1 1509302224 HNQIWLWFLGYWFE-IRXDYDNUSA-N 457.622 1.381 30 10 JDEE C[C@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)C1CC1 1510232334 DPMSFJBILMZIBU-JTSKRJEESA-N 458.588 1.743 30 10 JDEE CCCNC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1515077353 CLMYDEJJPLVYLU-UHFFFAOYSA-N 482.564 1.654 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1539017204 YJFWAGRNKQDZRO-KSZLIROESA-N 498.650 1.714 30 10 JDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1539058839 JGANVVMULWRARD-GOSISDBHSA-N 483.602 1.490 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1539206599 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C=CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1540908429 VRRMCGDGGFROTK-QUCCMNQESA-N 477.679 1.714 30 10 JDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1 1547414463 DQUSYFQXZAIPBP-UHFFFAOYSA-N 480.617 1.676 30 10 JDEE C#CCN(CC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1)C(=O)OC(C)(C)C 1558693912 DWBXQSFOYMWPRJ-HNNXBMFYSA-N 450.536 1.193 30 10 JDEE C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NCCn2cc(C#N)c(O)nc2=O)cc1 1585292251 FXFLUERIYFACKN-IYBDPMFKSA-N 453.499 1.419 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1587638143 CEAHWTNJLHFKMJ-LNLFQRSKSA-N 499.597 1.923 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1588029187 DVZZDPBZEWRGGF-OAHLLOKOSA-N 455.382 1.687 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1588034633 JQCLYYBGAOQKAM-YKSBVNFPSA-N 493.674 1.679 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588035626 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C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1593635910 CLNQQFDWBOSLIQ-HKUYNNGSSA-N 452.625 1.498 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1594241322 MIXFTQYUKIKKAF-UHOSZYNNSA-N 453.609 1.829 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1595405772 XQFBDSDWQJGWMZ-ROUUACIJSA-N 451.549 1.576 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1595593814 JBLCDJKNKLECHQ-KRWDZBQOSA-N 457.466 1.568 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NC2CCCCC2)C1 1595720663 AIIGJGBPWOZCFK-SJLPKXTDSA-N 451.593 1.410 30 10 JDEE CC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1614155737 ARSLLMKIJQQDCI-JTSKRJEESA-N 459.572 1.905 30 10 JDEE C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cc3oc4ccccc4c3cc2OC)CC1 1645163826 ZJTWINJSNRLYFG-UHFFFAOYSA-N 456.524 1.618 30 10 JDEE C#CCN(Cc1ccc(F)cc1)C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1673442707 LIDLAYFGOQLHOB-UHFFFAOYSA-N 459.499 1.815 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(Cl)cccc1OC 1689852140 AYSODAOYYQNXNW-RDTXWAMCSA-N 467.979 1.779 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCc2cccnc21 1689852765 KHJPUZINOPNNKW-QXAKKESOSA-N 458.588 1.584 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)COCC2 1689853710 XNZQUFZYCGOWPJ-OXJNMPFZSA-N 459.572 1.190 30 10 JDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1689944434 QKRHIQNDDWZVOD-INIZCTEOSA-N 464.979 1.212 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1689977797 CXJDXGROITYFQE-KRWDZBQOSA-N 478.644 1.945 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1689978047 KNKHSMOVTMNZBG-SFHVURJKSA-N 465.620 1.518 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1689996623 KUDFZNLGEVESEH-GOSISDBHSA-N 458.519 1.589 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1690043972 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C#CCN(C(=O)NC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1478917404 WPBWFTPZWHGDRW-DOTOQJQBSA-N 459.490 1.442 30 10 JDEE CCCN(CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1500772765 HWGHVHFPWIFHOA-IBGZPJMESA-N 480.621 1.623 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCO[C@@H]1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507631054 LFAWXNLCUQXYJH-WSTZPKSXSA-N 458.588 1.957 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C)C1=O 1507670780 BXMVUKKEEHEKQE-HOYKHHGWSA-N 470.574 1.528 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCCN2CCC[C@H](C)C2)CC1 1507733650 HCOXFJFJHQVQGQ-FQEVSTJZSA-N 471.650 1.894 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccnc(OCC3CC3)c2)CC1 1507733748 KURHSVUZNOGWNS-UHFFFAOYSA-N 479.585 1.614 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)N1CCN(c2ccccc2)CC1 1507812490 MNLYBYHDZCDWJL-LJQANCHMSA-N 489.646 1.640 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1507915891 GLQUQJHNSZPGJC-IBGZPJMESA-N 480.679 1.773 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CC1 1508033155 LLDMFTUPRLSWQG-BCOMRZATSA-N 452.602 1.919 30 10 JDEE CC(C)(O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1508727883 CBRKLGLERDFUGE-UHFFFAOYSA-N 451.575 1.722 30 10 JDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC2)CC1 1515489059 FCGWZMDPEAZULL-HXUWFJFHSA-N 451.575 1.844 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)C1 1516023427 GRBVSTVLHVKXRD-PKOBYXMFSA-N 460.560 1.283 30 10 JDEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](COC)C2)CC1=O 1519189998 ALAXDOUBUQLREJ-AZUAARDMSA-N 454.531 1.163 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[S@@](=O)CC)c1 1539043374 PNFOOBQHMFYTOD-INZIPBBXSA-N 477.612 1.005 30 10 JDEE C#CCCCn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1[C@@]1(OCC)CCOC1 1539139148 BZELAMNAUCCLBK-HSZRJFAPSA-N 452.563 1.584 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1c[nH]c2ccccc12)[C@H]1CCS(=O)(=O)C1 1539203737 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C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1595507211 ZTSGNXDAFLAGSG-INIZCTEOSA-N 479.994 1.300 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Cl)nc2C1 1595760544 PLVVYFGKMKEFMJ-ZDUSSCGKSA-N 489.023 1.100 30 10 JDEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(=O)N1CCOCC1 1595878818 RLWFFLNSBAVHQB-UHFFFAOYSA-N 486.646 1.666 30 10 JDEE C=C(C)C[C@@H](NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1598350852 VDKSXHWEJPYIQB-QGZVFWFLSA-N 454.545 1.273 30 10 JDEE NC(=O)C1CCN(C(=O)[C@@H]2C[C@H](O)[C@H](O)[C@@H]3NC(=Nc4cccc5ccccc45)S[C@H]23)CC1 1614388672 JPRVWKLXOIJEFN-SDZDHKAXSA-N 468.579 1.367 30 10 JDEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(C(N)=O)CCOCC2)cc(OC)c1OC 1619078472 DXYALIXHGXFKKG-QHCPKHFHSA-N 488.520 1.695 30 10 JDEE CS(=O)(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1620177597 IDDKHCDPFGINHY-KRWDZBQOSA-N 460.560 1.251 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc3n2CCN(C(=O)OC(C)(C)C)[C@@H]3C)CC1 1632623460 FXGWMGRCYATEJS-GOSISDBHSA-N 457.575 1.697 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1689913635 RUXBHCNQVIDECD-IBGZPJMESA-N 472.615 1.963 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCC1(F)F)[C@H]1CCS(=O)(=O)C1 1689980162 MXQCYJWOJUPDKI-JYJNAYRXSA-N 493.602 1.341 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCNC(=O)Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1689998660 SKKDQROACRDVKJ-WOJBJXKFSA-N 489.573 1.254 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCSC1 1690101253 UQYGUKJRMQBCAY-QFIPXVFZSA-N 454.556 1.146 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CC(F)(F)CO2)n1 1690109354 OSTIVDLMKFKXEH-IRXDYDNUSA-N 463.489 1.136 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1690128746 JHXUSQSCCLIAIJ-LJQANCHMSA-N 460.579 1.187 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC(=O)N2CCOCC2)CC1 1690139849 BVXYXWGVJAOFKN-UHFFFAOYSA-N 470.961 1.423 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)NCC=C)CC1 1690148580 LWBORBOCYGAUIQ-UHFFFAOYSA-N 456.497 1.415 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1690309881 MRCQWJWCUFBWPQ-OAQYLSRUSA-N 482.585 1.722 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H]2CCCCO2)CC1 1690411842 VRRAGVFUKXAJCL-RTBURBONSA-N 453.609 1.973 30 10 JDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCn2cc(Br)cn2)C1 1692851244 CYPNEYZVJHVFJN-KDOFPFPSSA-N 482.408 1.969 30 10 JDEE Cc1ncsc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1692922972 GMEIYMGTPKMXPK-FQEVSTJZSA-N 458.569 1.768 30 10 JDEE CCO[C@@]1(c2nnc(N3CCO[C@H](c4cccc(C#N)c4)C3)n2CCCS(C)(=O)=O)CCOC1 1696083043 AVCLRKXLBWONFT-REWPJTCUSA-N 489.598 1.814 30 10 JDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCN1CCOCC1 1696331446 FYJDPZGZXNWHRI-UHFFFAOYSA-N 457.554 1.874 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2CCN2CCCS2(=O)=O)c1 1705504055 LUINOKSXYLHBTR-QGZVFWFLSA-N 458.588 1.883 30 10 JDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(CS(C)(=O)=O)cc1 1705550113 BYTPGMVWDDSOMT-UHFFFAOYSA-N 486.623 1.901 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1705559167 SRKOTXGHLBTHBB-RTBURBONSA-N 455.584 1.773 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1705559221 USVVKSTVKZXEGY-LJQANCHMSA-N 458.588 1.461 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1705562904 MJEMMSQBZSRDKS-OAHLLOKOSA-N 460.951 1.280 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1705564670 DNDSUFBFIPJVEN-SYNHAJSKSA-N 450.586 1.378 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705698899 ZXJKWLOJECOTNK-WOZUAGRISA-N 495.694 1.086 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1705737415 QNXFXZZGFSOUAW-KRWDZBQOSA-N 477.562 1.765 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1705905304 QPEQMQHIIRNFKK-UHFFFAOYSA-N 452.563 1.292 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705908122 IULBPQFBCVZPRW-PXAQALGRSA-N 473.578 1.067 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc3c(c2)CCO3)C1 1705917507 XAKNGLGGTJBMNS-QFBILLFUSA-N 461.588 1.847 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1705929767 XEIZCYDCOIRLTG-RXVVDRJESA-N 482.990 1.841 30 10 JDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1710880831 DKLOYRKUTZLZOW-HXUWFJFHSA-N 488.614 1.322 30 10 JDEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C1 1711347647 DANLBTXXQTYTNI-IAQAZVPISA-N 456.572 1.602 30 10 JDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1711456009 GMUXDZNGGNRJIP-MSOLQXFVSA-N 473.555 1.553 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN2CC)c1 1722304896 JYGKWNSSZUNOKG-FXAWDEMLSA-N 487.630 1.429 30 10 JDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722318838 SLZBDHCZCKNILA-GOSISDBHSA-N 450.551 1.475 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)c1ccccc1 1722427279 TUESQFJGHJISAZ-FQEVSTJZSA-N 459.572 1.410 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1722429439 MAUXTCQLJCGAIW-UHFFFAOYSA-N 477.491 1.654 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CCCCC2)CC1 1722441744 TZYZTWRWIIQAPV-UHFFFAOYSA-N 457.623 1.648 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCSCC#C)CC1 1722442159 ZHGLPWBZAHEAOD-UHFFFAOYSA-N 451.556 1.258 30 10 JDEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722457710 LDUKRHPXOYRIQG-XLIONFOSSA-N 454.604 1.090 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1722458366 HNVLWXMLCMKQGK-MRXNPFEDSA-N 456.576 1.029 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1722459269 HCPOCYXJVGKCMZ-IRXDYDNUSA-N 451.618 1.138 30 10 JDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1722481665 HQEZQSFGQIRGBK-CQSZACIVSA-N 469.351 1.964 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCOC)CC1 1722495478 XFCDVJSKHDTIPL-PMACEKPBSA-N 474.606 1.474 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)COC)CC1 1722510621 UDMFZBBBMUWCBN-XXBNENTESA-N 454.575 1.977 30 10 JDEE C=C(Cl)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722555319 ZVUQRFMQSPVIAE-UHFFFAOYSA-N 458.950 1.845 30 10 JDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722619844 GBUCMEQGGVUHIK-ICSRJNTNSA-N 455.563 1.789 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCS(=O)(=O)C(C)(C)C)C1 1722710019 CAMFTKLQUVLNJH-DYESRHJHSA-N 456.609 1.925 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(CC(=O)N(C)C)CC1 1722728445 UOCNKVKGEOFTJT-UHFFFAOYSA-N 460.604 1.944 30 10 JDEE COc1cc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)ccc1C 1729977335 DGRFMSOLGJOZLQ-KNQAVFIVSA-N 492.577 1.613 30 10 JDEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740576857 JTRUAPFQJCOANQ-HSZRJFAPSA-N 479.629 1.398 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1740591608 PRLPYJNAKJNICI-LEWJYISDSA-N 475.615 1.893 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1740620694 WZDITNACJXFUSY-RZFJCUDFSA-N 469.567 1.373 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1740626388 UHUVNBXWETZFKS-LJQANCHMSA-N 453.572 1.289 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2nccc(C(F)(F)F)n2)CC1 1740700966 PEKHTBUSMJDITN-LPHOPBHVSA-N 479.507 1.809 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCOCC)CC1 1740704976 ZMIMGUXXCRRNOE-UHFFFAOYSA-N 473.603 1.241 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1740716332 WPUIXDCATUQTQF-QGZVFWFLSA-N 461.592 1.775 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(=O)C(C)C)CC1 1740876073 NTKJEZWEUZDTOD-GOSISDBHSA-N 468.624 1.272 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1740950772 HGXFXKWAXBHARE-QGZVFWFLSA-N 468.562 1.277 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1740953537 JFLDOKDHTHPVIE-QGZVFWFLSA-N 456.547 1.760 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1740960576 VJIOPMWSUGCETF-GOSISDBHSA-N 458.538 1.554 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1740965071 ZBTLAJZWYNBRCP-UHFFFAOYSA-N 473.553 1.929 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1741123672 ABCMJTBUFSBGKF-SXGZJXTBSA-N 451.524 1.703 30 10 JDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](C(C)C)N1CCOCC1 1747187463 BQPDTFXVNKGANF-NRFANRHFSA-N 468.606 1.765 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@]2(C)CN(C)C2=O)c1 1748691661 JBEGJLLJWOJBRD-DQEYMECFSA-N 480.569 1.465 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCC1CC(OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1748814422 FQSRZTSLDDEKTD-VLOYRQLPSA-N 477.631 1.840 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN(C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1748817871 RSYLRQWLVKJZAO-TZIWHRDSSA-N 475.590 1.680 30 10 JDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1748820957 KBCOXKYSCVYQSS-LJQANCHMSA-N 460.600 1.860 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(c2ccccc2OC)C1 1748825755 DYYFFZQQSWROQK-RTBURBONSA-N 470.599 1.496 30 10 JDEE COc1cccc(C2(Cn3c([C@H]4CN(S(C)(=O)=O)CCO4)nnc3N(C)C[C@@H](C)C#N)CC2)c1 1748898021 DHNQUCJAFVZUBJ-FXAWDEMLSA-N 488.614 1.947 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCS(=O)(=O)CC=C)CC1 1748989098 FCUNMXSVJLSACF-FQEVSTJZSA-N 457.556 1.147 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)C2CCCCC2)CC1 1749008766 BIGISNXGQNMXKI-DVECYGJZSA-N 456.591 1.526 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)C(C)C)CC1 1749032883 SWKWMVRMHSFFFF-UHFFFAOYSA-N 479.610 1.863 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C(N)=O)nc1 1749056929 ZBJGXEVAARKGEP-HSZRJFAPSA-N 464.551 1.883 30 10 JDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2O)C1 1749103516 AHTPTBMPWBJGAZ-ZDUSSCGKSA-N 454.350 1.752 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@]2(CCOC2)C1)C(C)C 1749557554 KUKSVEACGPCCPR-REHUZNOOSA-N 458.607 1.924 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749652663 QPKWDCCLZGVIFI-KXBFYZLASA-N 476.965 1.715 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1749657976 IYVCQOUWKZEUPA-SFHVURJKSA-N 458.998 1.512 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(CNC(C)=O)CC1 1749659390 BAVGWLJORBZGCN-UHFFFAOYSA-N 456.547 1.617 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1749666259 KJLOOAOGFUFGOC-UHFFFAOYSA-N 465.480 1.846 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1749681144 XVTQDLQOHDGOIT-UHFFFAOYSA-N 469.521 1.917 30 10 JDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)OC(C)(C)C 1751985931 GIBJBSGWKTXIOG-MRXNPFEDSA-N 469.546 1.920 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1760182135 GXLHOFVXPGXIGK-OALUTQOASA-N 485.614 1.427 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760185038 OEBZIMAZUFYXGQ-GOSISDBHSA-N 459.572 1.410 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1760242904 RRDQTGNBNHKENV-QGZVFWFLSA-N 496.634 1.542 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCNC(=O)C2CC2)CC1 1760259238 ISWKOWIQFXALSN-UHFFFAOYSA-N 485.633 1.674 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2conc2COC)CC1 1760266129 QMGADNCLVZIOQP-HSZRJFAPSA-N 472.546 1.079 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1760274060 FTXKMRAOQGSNRU-IAGOWNOFSA-N 484.692 1.633 30 10 JDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760276277 YQCOEYUMRLVHAG-UHFFFAOYSA-N 465.583 1.757 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1760281411 RMRMPVXSTIQQLW-AWEZNQCLSA-N 451.478 1.967 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1CCC 1760294931 JVYDJONLIGEQNK-TXTKFYIRSA-N 478.663 1.868 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1760356053 FCCITYGGEFMQOP-OAQYLSRUSA-N 459.639 1.817 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(O)cc2C1 1760357520 KMGSRRPMYIUIHY-HXUWFJFHSA-N 477.587 1.472 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1760529066 WEODZJMLQBYJEN-JFIYKMOQSA-N 455.625 1.758 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@H](C(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1760558665 WTYQJQNGXKLMBL-RLFYNMQTSA-N 482.525 1.687 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CCOC)CC1 1772660275 OUAKLCDTNVKCTA-UHFFFAOYSA-N 454.984 1.363 30 10 JDEE COc1cc(S(=O)(=O)O)c(C)cc1NN=C1C(=O)C=Cc2cc(S(=O)(=O)O)ccc21 1848355009 SNPXTALWZJMVRO-UHFFFAOYSA-N 452.466 1.909 30 10 JDEE COCCN(CCOC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869928349 UZJDFLSHZHHLSU-OAQYLSRUSA-N 484.578 1.939 30 10 JDEE C=CCn1c(C(=O)N2CCC(N(C)C)CC2)cc2c(NCCN3C(=O)CSC3=O)ncnc21 1875232216 CMHFVBNJKKXTHZ-UHFFFAOYSA-N 471.587 1.891 30 10 JDEE C[C@H](C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1)n1nc(-c2cccs2)ccc1=O 1890275748 KIHKDXXNOFVSJX-HXUWFJFHSA-N 483.638 1.791 30 10 JDEE COCCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(OC(F)F)c(OC)c2)c1=O 2059847823 TUWKZZRVKKALPX-UHFFFAOYSA-N 481.521 1.584 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(NC(=O)OCc2ccccc2)C1 2247916927 HHAANSNPAXUJQW-UHFFFAOYSA-N 454.336 1.779 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2255842038 MCLDFMDSDQXWIX-ZIAGYGMSSA-N 453.370 1.542 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CO 2267487374 RABSGAZHYDILMS-UKRRQHHQSA-N 467.397 1.790 30 10 JDEE Cn1ncc(C(=O)N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267509895 CCGYNFOVSHBXMW-AWEZNQCLSA-N 450.345 1.085 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CO 2267521928 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CC(C)(C)OC(=O)N1CC(O)(C(F)(F)CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2362502191 BIASIJRRQTUOPM-UHFFFAOYSA-N 489.350 1.789 30 10 JDEE COc1ccc(CNC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)cc1 59887693 QCNCZKAFMVZKHJ-SSDVNMTOSA-N 458.548 1.473 30 10 JDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cccc(OC)c2OC)[C@@H](C#N)C(=O)N3)CC1 72444584 XMCKKPNNXCMJJX-WBVHZDCISA-N 481.509 1.790 30 10 JDEE C=C[C@]1(C)CC(=O)[C@]2(O)[C@](C)(O1)[C@H](OC(=O)CCC(=O)O)[C@H](O)[C@@H]1C(C)(C)CC[C@H](O)[C@@]12C 256356203 GAXOOYZVVOXRCK-NYIZGGSLSA-N 468.543 1.365 30 10 JDEE in-vitro C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)c(OC)c2)c(=O)n1C[C@@H]1CCCO1 409880053 NTPKVVPFHFYTFT-INIZCTEOSA-N 471.604 1.625 30 10 JDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)Nc3nnc(COC)s3)cc21 586352280 QSISMKUKJLMSNL-HHAIEFTPSA-N 478.552 1.555 30 10 JDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C)cc1 729669193 ZUZZYPNEDIRNCP-UHFFFAOYSA-N 487.585 1.901 30 10 JDEE CCc1nnc(CN(C(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)C(C)C)o1 1084604130 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C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1300273288 PTMUGPCZUYVJEM-DSGGYQJVSA-N 481.944 1.846 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1300479890 UIUPTORNBWGREO-IRXDYDNUSA-N 463.629 1.983 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C(CC)CC)N(C)C)[C@H]1CCS(=O)(=O)C1 1300496635 SOUXGLISRPYWTN-HSALFYBXSA-N 451.637 1.775 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(OC)CCOC1 1300575237 UQJYAPBLMRVRDJ-JOCHJYFZSA-N 456.572 1.507 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccn(C)n2)CC1 1300715867 GSFSSYVNLIJNLY-QHCPKHFHSA-N 455.563 1.066 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(F)(F)c2ccccc2)CC1 1300723398 UBNOFLZMOIIGOQ-GOSISDBHSA-N 456.497 1.987 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1300789272 DOFKJPQPLDDJKV-HOYKHHGWSA-N 485.610 1.836 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC(F)(F)CO2)CC1 1301124102 GBTFZVNBAJCJKN-JKSUJKDBSA-N 461.535 1.438 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1301152220 WOSFNXURWOSSKO-OALUTQOASA-N 482.651 1.566 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCC(=O)NCCC)C1 1301554417 GMCRIBRJTGGOMU-KRWDZBQOSA-N 465.558 1.890 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCS(=O)(=O)C1 1301956188 GCFPVOBFOMJYQZ-GJZGRUSLSA-N 451.574 1.379 30 10 JDEE N#CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2cc(CO)nn2)CC1 1302999616 BPQFFGZLOHQGSS-UHFFFAOYSA-N 460.340 1.950 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1303467624 CPSZGQVJVDFFKQ-ZDUSSCGKSA-N 472.369 1.092 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccccc2CN2CCN(C(C)=O)CC2)n1 1310565795 PCQVVKCDLXKMRN-UHFFFAOYSA-N 452.559 1.861 30 10 JDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1314530056 HGDVQMQZCOBBNK-LJQANCHMSA-N 458.588 1.410 30 10 JDEE N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1316532943 BMYNHKWWYHUJLK-UHFFFAOYSA-N 453.522 1.752 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1358890950 XQWXZSHYBSLYCU-OKZBNKHCSA-N 496.634 1.468 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1358920148 TVJHGUMTORQFQI-OALUTQOASA-N 472.615 1.948 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1358929705 GFARRGSIXUXHFA-HZPDHXFCSA-N 478.541 1.097 30 10 JDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCS(C)(=O)=O 1358929889 KMAORPAXRAIBKK-QGZVFWFLSA-N 469.608 1.871 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CN2CCCC2)cc1 1358948496 DIEPIDQDWFDFEM-NRFANRHFSA-N 472.615 1.325 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CC12CCOCC2)[C@H]1CCS(=O)(=O)C1 1358955002 CAOHCQUONZYSDX-HKUYNNGSSA-N 477.631 1.640 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1358964662 DDQGYLLOGTUVMV-IBGZPJMESA-N 457.600 1.576 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358967402 JQYFQOXFWASCDY-VQTJNVASSA-N 463.579 1.883 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1c(Cl)c(C(F)(F)F)nn1C)[C@@H]1CCS(=O)(=O)C1 1358968084 ZBZGWMCYSLJAEE-GFCCVEGCSA-N 494.927 1.895 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@]1(O)CCS(=O)(=O)C1 1359019361 SLWRZANPZVKIHR-RUZDIDTESA-N 497.621 1.988 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)NCCC)CC1 1359042415 FOADTGPCVDXMLI-UHFFFAOYSA-N 457.966 1.876 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC(=O)NC2CCCCC2)CC1 1359043181 KITPIIJHSXZQAQ-UHFFFAOYSA-N 451.575 1.698 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1359056504 GOAHFHDSBYHEJK-IAGOWNOFSA-N 483.660 1.992 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(=O)NCC)c1 1359113126 AIIAPMYSLGTDMM-HXUWFJFHSA-N 490.630 1.811 30 10 JDEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359133034 KIRHFQIBHWYUSU-OAQYLSRUSA-N 470.574 1.594 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1359342936 IEFVYILLNXOZDR-HNNXBMFYSA-N 495.593 1.994 30 10 JDEE C[C@H](C(=O)NC(=O)Nc1ccccc1F)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1459747498 HEPOGUBPROUGLD-OAHLLOKOSA-N 459.503 1.740 30 10 JDEE N#C[C@]1(F)CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1505311568 AMYRHKZGQPSEOF-GOSISDBHSA-N 453.927 1.980 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1c(CC)nn(C)c1CC)[C@@H]1CCS(=O)(=O)C1 1507632791 PRBSMSMNJWUPLW-ZWKOTPCHSA-N 474.631 1.705 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1507634606 ZPYZTQFBDMQRFJ-MOPGFXCFSA-N 459.572 1.988 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1507635961 WRJBDDXKYCERQY-GOSISDBHSA-N 459.572 1.029 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N2CCOCC2)CC1 1507653959 UELKLFTYXBUKTE-HXUWFJFHSA-N 484.601 1.524 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)n1 1507690909 YXRFUQOGDVHRPA-OAHLLOKOSA-N 472.493 1.533 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1507780635 ZTDZAQBSQQBJLC-SWLSCSKDSA-N 487.428 1.847 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccc(OCC)n2)CC1 1507791197 JAIJHXQKHPZGFQ-AZUAARDMSA-N 484.605 1.913 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(N3CCOCC3)CCSC2)CC1 1507881386 NHIWLKUSMAMWDY-XLIONFOSSA-N 470.665 1.253 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1507935478 QINRQBLQHICJHQ-OTWHNJEPSA-N 454.641 1.886 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2)C1 1507964371 COBCJSBZCJSDPE-RTWAWAEBSA-N 491.614 1.782 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1508081357 JTSAQFSKMYSDGD-UHFFFAOYSA-N 456.522 1.462 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1539072851 XIPHZUOERZQQCR-OAQYLSRUSA-N 499.637 1.884 30 10 JDEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539105143 XNEUDMJOFHUUIY-OAHLLOKOSA-N 487.358 1.277 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1539205392 HQVHFUIQPVHOAG-YLJYHZDGSA-N 476.555 1.004 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1539230943 RSUHXKWMSCBWDY-RRFJBIMHSA-N 451.549 1.427 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(COCCOC)cc2)CC1 1539445882 JLVMHRJDAONSRG-OAQYLSRUSA-N 452.559 1.196 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C[S@@](C)=O)cc1 1539538698 LURINWGMRFYVEL-GMSNYQIQSA-N 463.629 1.807 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1539552156 IYDZHJRRJJJCRR-OAQYLSRUSA-N 473.459 1.863 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC=C 1539557397 SNZYSXZIFRZGHS-UZUQRXQVSA-N 458.563 1.881 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@](C)(CC)C1 1540869392 LAHKOJDJGYTJBU-XMMPIXPASA-N 465.558 1.982 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1540869504 OYLGOKQLOWEMTA-YOEHRIQHSA-N 460.560 1.132 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1540875042 ZWHOIRQJPGKPFN-GOSISDBHSA-N 453.547 1.332 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(N3CCN(C(C)C)CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1540875927 BXLHVEJYHAPJPV-RUZDIDTESA-N 489.665 1.227 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@]3(CCOC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540876633 XABMPFGYLXAAMY-SAHWJRBASA-N 476.578 1.347 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCCN(S(C)(=O)=O)CC2)cc1 1540877611 AHUMFFPGAPPLOX-LJQANCHMSA-N 474.587 1.314 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2(O)CCOCC2)c1 1552879762 AYQRGQJVCVARQO-JOCHJYFZSA-N 488.614 1.867 30 10 JDEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1587894027 MOOISOIBGDFJEF-MRXNPFEDSA-N 458.975 1.784 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CC1(C(=O)NCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1588046085 WZGKGTGEETZWAS-QGZVFWFLSA-N 456.572 1.273 30 10 JDEE C#CCN(c1nnc(COCC)n1CCc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1588073767 DKOKBZLBCZGHHX-FQEVSTJZSA-N 473.599 1.386 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCS(=O)(=O)C(C)(C)C 1588158905 LJEAHJUCJNCZKW-UHFFFAOYSA-N 496.681 1.929 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(Br)cc2)CC1 1588806530 UNBSCKQEDWYTTJ-SFHVURJKSA-N 457.376 1.990 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(=O)N(C)C)CC1 1588898953 IRPPMGWGTJOZPD-UHFFFAOYSA-N 473.375 1.762 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1588961552 DCQJILHBZHEDJX-OAQYLSRUSA-N 483.661 1.734 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(=O)OC)C1 1589070293 RVSUOHMZDMFHTF-IRXDYDNUSA-N 479.603 1.952 30 10 JDEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1595185305 VXPYYTYSWISLBF-GOSISDBHSA-N 479.628 1.951 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C(=O)OC)C1 1595490116 MTUGULBKTRNLNG-ZDUSSCGKSA-N 465.352 1.738 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1595506676 JDXLYOXOMKNASI-UHFFFAOYSA-N 467.983 1.156 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1595562439 ZADBTHFXIBAPBM-KRWDZBQOSA-N 471.587 1.170 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1595594215 MEEVQDNQYSZFTH-UHFFFAOYSA-N 497.669 1.925 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](N2CCCC2=O)C1 1595602447 KKESVPACFQMPHD-ROUUACIJSA-N 487.605 1.853 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(Oc3cncc(Cl)n3)CC2)nnc1[C@]1(OCC)CCOC1 1595602749 PWCNUSAJDIOYRA-QFIPXVFZSA-N 491.980 1.724 30 10 JDEE COC(=O)c1ccc(NCCc2ccc(OCCN3CCN(C(C)=O)CC3)cc2)c(C#N)n1 1642205450 CAENDWNRKLNHDV-UHFFFAOYSA-N 451.527 1.937 30 10 JDEE C#CCN(C(=O)NCCC(=O)Nc1ccc(Br)cc1C)[C@@H]1CCS(=O)(=O)C1 1677873931 GTTUATIEONOJBG-OAHLLOKOSA-N 456.362 1.918 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1c(F)cccc1F)N(C)C 1689826080 HUSWEFMRZVLPCN-JJRVBVJISA-N 454.547 1.927 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1689982027 GOOUKEBCYMRKLK-QPPBQGQZSA-N 493.674 1.679 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689984936 YQDVSYNHUPWHKN-FCHUYYIVSA-N 471.627 1.929 30 10 JDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690161370 CDPDYVSDODDBGF-UHFFFAOYSA-N 463.611 1.928 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CN(Cc2ccccc2)CCO1 1690190457 VLVKKBQIJZSJQT-ZILOHOTNSA-N 486.642 1.781 30 10 JDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1690308623 UQQRVZCGQMJCFG-UHFFFAOYSA-N 454.579 1.462 30 10 JDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690452142 XXKDCWYTTQYGBP-SJORKVTESA-N 454.597 1.072 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1690526933 GMKBAYMSPFPCCI-DLBZAZTESA-N 484.623 1.633 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCN(C)C(=O)C1 1690717913 VCNCAODOVCTPKZ-UHFFFAOYSA-N 468.377 1.587 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1690722470 KPQLETFACJCOFG-QFIPXVFZSA-N 454.556 1.742 30 10 JDEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1690922914 BRIMHAUOPNEVSK-FQEVSTJZSA-N 456.572 1.889 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCN2CCCCC2)c1 1705503974 JVRLIFHHXASJJL-UHFFFAOYSA-N 451.575 1.958 30 10 JDEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705519072 XNRVWFXRAJKYIU-LJQANCHMSA-N 455.588 1.838 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CCNC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1705564241 MSVUPNNZSQJAKN-SFHVURJKSA-N 453.524 1.595 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1705564676 CEJIOVMCQIMYOD-SPEDKVCISA-N 492.001 1.417 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1705567196 UAJZZAQSQDIERT-RTBURBONSA-N 492.623 1.058 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1705636722 VIOOAERUPNVQPC-LNVKXUELSA-N 495.971 1.889 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1705642955 NMRXTXJUXSMMQJ-UHFFFAOYSA-N 461.563 1.719 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nc(CCOC)no1 1705693725 JXWSEFYXNJCNPB-APWZRJJASA-N 459.551 1.704 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnc(C)s1 1705700887 ZTQGLQILGFNZIZ-QRQLOZEOSA-N 496.659 1.994 30 10 JDEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1705737106 JZALBERXLJVBRZ-MSOLQXFVSA-N 494.593 1.130 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(C(F)(F)F)CC1 1705830494 QYSMFXCINUDPLH-OAHLLOKOSA-N 497.540 1.097 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1N1CCOCC1 1705875686 CBPZOTPXYJETHX-LJQANCHMSA-N 458.588 1.639 30 10 JDEE C=CCn1c(-c2cccnc2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1705888935 LORDCQMHTWKQKW-IXDOHACOSA-N 460.560 1.653 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1705899964 LSNWAVPGEVCWAG-VQTJNVASSA-N 480.617 1.459 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1705928384 DVMZTBNWRKKUHG-XXBNENTESA-N 476.599 1.805 30 10 JDEE CCN(CC)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1709996952 HXZPTTGBWCXYIR-UHFFFAOYSA-N 482.589 1.839 30 10 JDEE CS(=O)(=O)N1CC[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCO[C@@H](C#N)C2)C1 1712703462 CDTZQFKBNVGREB-YOEHRIQHSA-N 450.952 1.609 30 10 JDEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722325510 MIWDRWLHYHQPNO-AWEZNQCLSA-N 487.358 1.277 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)CC)CC1 1722447152 HZGXLDVGXQJRRB-GOSISDBHSA-N 480.635 1.013 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2CCCNS(C)(=O)=O)CC1 1722450021 UISFCYXMKHVPAV-UHFFFAOYSA-N 497.625 1.186 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)C2CC2)CC1 1722587918 FETHPDGCXQMOAF-IBGZPJMESA-N 494.662 1.708 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1722695239 XNWMGTVVYJYBIA-WMZOPIPTSA-N 457.487 1.769 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1722697980 ARBYZULVNAWECN-RTWAWAEBSA-N 454.575 1.330 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722724955 BCSZKAMTEQPMRP-NRFANRHFSA-N 486.642 1.597 30 10 JDEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCCN2S(C)(=O)=O)c2ccccc2c1=O 1728639552 BYNSKMGQZMNNDW-IAGOWNOFSA-N 498.613 1.837 30 10 JDEE CO[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)C(C)C 1729886249 GRYMHNQYDNKIQI-QZTJIDSGSA-N 454.597 1.412 30 10 JDEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(S(C)(=O)=O)CC1 1740568329 VKDCENWEBRABAW-UHFFFAOYSA-N 469.409 1.931 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1740615320 AQTQALVFDWHTTP-SFHVURJKSA-N 459.572 1.430 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1740619420 IQRJHFLUZJMWNW-SJLPKXTDSA-N 487.582 1.605 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1c(CC)nn(C)c1CC)[C@@H]1CCS(=O)(=O)C1 1740623628 YAMMFPHEZALGBA-MRXNPFEDSA-N 468.587 1.268 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1740624292 HVPQLFPBQUYVHT-GOSISDBHSA-N 456.597 1.898 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740625179 OLZQIRMURBNHJV-VQTJNVASSA-N 476.647 1.149 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1740684391 PSYNMEQDDFLIHF-FCHUYYIVSA-N 466.586 1.697 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nccs2)C1 1740751139 HQVUNCRKENFBHE-NCOADZHNSA-N 482.632 1.904 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1COC(C)(C)OC1 1740811541 VTHLHUMPCYSFEO-OAHLLOKOSA-N 463.988 1.199 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCN(CC)CC3)nc2)CC1 1740818958 ZLUFRECDTXJWRZ-IBGZPJMESA-N 488.662 1.630 30 10 JDEE C=CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1740949440 VXDJFCCGQXEQCU-FQEVSTJZSA-N 461.588 1.982 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740958528 COOBNDKFCSCJAG-INIZCTEOSA-N 485.570 1.372 30 10 JDEE CC(=O)N1CCN(CCn2c(C(C)C)nnc2N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 1741056148 AEOFTQXNXQUWOR-UHFFFAOYSA-N 464.618 1.759 30 10 JDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1)N(C)C 1741862329 GKDLJVSHAHEOKG-FPOVZHCZSA-N 453.591 1.837 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1748802068 KRTSMJMKGVZBBL-KSZLIROESA-N 451.593 1.104 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748804829 LUQMVRZNCPZTGB-HKUYNNGSSA-N 477.612 1.228 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1748821755 UVGGAGLQTLUOQY-XMSQKQJNSA-N 457.556 1.516 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1748824168 KKFPSVKAXPIXRV-VAMGGRTRSA-N 474.631 1.800 30 10 JDEE COc1cccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)N2CCCC2)c1 1748905750 ATFRPUVDWVSXBR-SFTDATJTSA-N 467.574 1.991 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1749014970 QLXOCGFUBGQHKW-JOCHJYFZSA-N 499.637 1.753 30 10 JDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1749033877 PEHFWECSZFQROB-MRXNPFEDSA-N 494.643 1.480 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)F)C1 1749038380 QWQXJXRMCPLRME-HUUCEWRRSA-N 463.576 1.459 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1749039598 XEUGQSMEWXQQSS-RTBURBONSA-N 478.644 1.265 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1749043234 FRWYJXXNTRKBHE-UHFFFAOYSA-N 450.572 1.360 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C)CC1 1749115585 SXKVTTZINFTPKR-MOPGFXCFSA-N 454.579 1.823 30 10 JDEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1749170200 HLRMQNBOJDNBID-KRWDZBQOSA-N 466.995 1.956 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)c1ccc(C)c(F)c1 1749493545 GTTFYKWVOLEPHW-SFHVURJKSA-N 480.566 1.111 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCC1=O)C1CC1 1749519995 WHHHMDFYEGTQAG-SFHVURJKSA-N 466.608 1.168 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCn2ccnc21 1749574826 GGZMBKGWPFIJIS-MSOLQXFVSA-N 461.592 1.564 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1749652051 GULGJMWYYJMEKR-ZIAGYGMSSA-N 465.308 1.462 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1749655052 BQYGVZPKJZWALY-INIZCTEOSA-N 493.586 1.287 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1749671693 GTLQGAGUKRZWTJ-NRFANRHFSA-N 465.602 1.706 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C)C(=O)[C@H]1C 1749739529 FFMLXWKYTZWBAH-GOSISDBHSA-N 461.588 1.742 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2cccc(F)c2)CC1 1760117554 QGDXCXOQJFAADJ-LPHOPBHVSA-N 461.563 1.940 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCC(=O)NC(C)C)c1 1760127195 SZCVULIJEPJLSB-UHFFFAOYSA-N 465.558 1.485 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1760155473 YZILQQCWGWJOAK-UFYCRDLUSA-N 465.620 1.667 30 10 JDEE C#CCN(c1nnc(C)n1C[C@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCS(=O)(=O)C1 1760181223 RCXVCGBXOLPUKZ-FGZHOGPDSA-N 457.600 1.504 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1760275547 ZWWDBHRMKISUEZ-KRWDZBQOSA-N 482.676 1.484 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760277266 FVHPWQFOKNZTQO-UHFFFAOYSA-N 481.582 1.915 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760321434 GMJVOFHBQXOGNF-AQNXPRMDSA-N 474.606 1.327 30 10 JDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCNS(=O)(=O)CC)CC1 1760384487 YXYJROHUQNEDKE-UHFFFAOYSA-N 482.632 1.291 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2noc(CC)n2)CC1 1760402795 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C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1540858257 OISWPNGZSWAZHX-QYZOEREBSA-N 462.595 1.929 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1540858430 WWQPFRFLZCGANY-IBGZPJMESA-N 480.635 1.416 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C1 1540892036 DOLXUSHHRPAPTP-IXDOHACOSA-N 469.608 1.875 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1540916920 JUUJRGUNHQGWRW-WOJBJXKFSA-N 482.720 1.704 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CCO1 1541073984 GDFLWIRPBOLJAT-UXHICEINSA-N 472.571 1.125 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1N1CCOCC1 1541907837 FVAGIRIBBMIACX-DLBZAZTESA-N 461.592 1.512 30 10 JDEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1555428464 DMKXBKVBXNFMCN-NQIIRXRSSA-N 463.560 1.140 30 10 JDEE CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC(Oc3ccc(C#N)cc3)C2)c(OC)c1 1561453307 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CC[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC[C@@H]1NC(=O)OC(C)(C)C 1637961736 ASQQELMFPYLRLW-WMZOPIPTSA-N 450.561 1.988 30 10 JDEE C#C[C@@H]1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Br)C1 1643853849 DJINHJVKWCANOV-PBHICJAKSA-N 455.374 1.854 30 10 JDEE C#CCOc1ccccc1CNC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 1678690891 DGXXWWNNSBSBNN-UHFFFAOYSA-N 458.320 1.423 30 10 JDEE CCN1CCC(N2CCCN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)CC1 1682226031 AYLUDWZLGBTPRM-HSZRJFAPSA-N 452.603 1.861 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)c1 1689872118 OVHABAVGEXCOSC-UHFFFAOYSA-N 485.610 1.932 30 10 JDEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1689915079 PDTQGZSMZJWVBU-UHFFFAOYSA-N 490.406 1.430 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(OC)nc2ccccc12 1689965919 GTVLBHIOHQVHTD-LJQANCHMSA-N 470.555 1.286 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCC(=O)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689978521 XPHHDBNONBJYPV-GOSISDBHSA-N 472.571 1.072 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689989732 IBXYZTHPNRKJEX-QZTJIDSGSA-N 468.645 1.777 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1689993791 LQTZWJVVCAUZQN-NRFANRHFSA-N 452.584 1.780 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCCS1(=O)=O 1690013634 XLUNVGKBBOTLJW-UHFFFAOYSA-N 493.593 1.344 30 10 JDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCS(=O)(=O)C1 1690053988 MBJSDOPYXCCJNT-QGZVFWFLSA-N 459.597 1.557 30 10 JDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1690288014 CVWLXXXXQYMHQT-SFHVURJKSA-N 479.628 1.576 30 10 JDEE C=CCn1c(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1690653326 MNRBUSIHGYGXKM-NRFANRHFSA-N 465.551 1.766 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1690672922 IAKBHABWGLPTGB-JOCHJYFZSA-N 459.572 1.195 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1690675860 HTIQSJIVURUFND-GOSISDBHSA-N 453.547 1.508 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1690676059 OPCXWVBVIWASTD-LLJLJFOGSA-N 471.558 1.941 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(c2ncc(F)cn2)CC1 1690720370 GVNHGXXYIYNLME-UHFFFAOYSA-N 475.525 1.941 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1690727090 SXFGATWASSPKDC-UHFFFAOYSA-N 468.587 1.290 30 10 JDEE CC(C)NC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1692564018 BHUGLGMIBROPQR-UHFFFAOYSA-N 478.601 1.509 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCc1ccc(S(C)(=O)=O)cc1 1692758125 CHLMVDYPSXAEAA-HUUCEWRRSA-N 468.605 1.273 30 10 JDEE CN(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)C1CC1 1696601341 DVFPFYJAKHRCRD-UXHICEINSA-N 458.588 1.692 30 10 JDEE CN(C)CC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1696613182 AAMQYXRRCYPTCD-FQEVSTJZSA-N 485.658 1.966 30 10 JDEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)C1 1696950214 DEQACJCMTBSGFN-FQEVSTJZSA-N 481.601 1.802 30 10 JDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCOC(C)(C)C1 1705546315 HYOCXJVRPPZADJ-UHFFFAOYSA-N 459.620 1.727 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(F)F)c(F)c1 1705552025 UQAMTMOYIJKJRJ-MRXNPFEDSA-N 473.477 1.469 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1705558849 KAJMIKQLSXTJOR-SFHVURJKSA-N 459.572 1.512 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](CC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705559893 GPZFKOIPJNFAMT-CMKODMSKSA-N 493.655 1.709 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1705561046 MYJRJJQENMBDGC-DENIHFKCSA-N 459.572 1.309 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1705561232 OIBNOPPBFRNAOZ-INIZCTEOSA-N 484.420 1.835 30 10 JDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705568708 UBDRLBPMOAHAHW-OAQYLSRUSA-N 487.626 1.515 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1705568906 XHVFOAFOQLHTET-LAUBAEHRSA-N 450.536 1.784 30 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469.571 1.461 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1539368726 BHBYMJAQSFRLLB-QZTJIDSGSA-N 496.634 1.470 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)oc2ccccc12 1539416161 KZPLROFMTHLQLQ-NRFANRHFSA-N 487.582 1.800 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1 1539427988 LHCIAPHESDREBH-NRFANRHFSA-N 479.585 1.337 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1539556934 KJCVPAGYWIQDEO-GPMSIDNRSA-N 475.537 1.435 30 10 JDEE C=C(Br)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539579342 JJLPKXAZSXCSTO-ZIAGYGMSSA-N 493.337 1.613 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nc2ccccc2[nH]1 1540072440 LKSRSNJMKRHLCG-SFHVURJKSA-N 459.576 1.742 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)C[C@H]1C 1540863944 KGGHLRNMQQVFTG-GFCCVEGCSA-N 450.341 1.015 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1540874498 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C=CCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1594744481 RNZUNPGIRQTQRU-FQEVSTJZSA-N 460.604 1.861 30 10 JDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1594825046 UYBLZMFMCNJPAT-RBBKRZOGSA-N 487.649 1.372 30 10 JDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCOCC1 1594961909 GNPBASKCVRRERJ-MSOLQXFVSA-N 450.584 1.929 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1595577578 XJVLTCPYEZDTML-UHFFFAOYSA-N 490.630 1.538 30 10 JDEE C[C@@H]1C[C@@H](C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1612669536 CTGFXEJKPVQVCR-YVHKJVDXSA-N 459.572 1.761 30 10 JDEE C[C@@H]1CCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1612818434 GWYVMTOUJQGJJV-HXUWFJFHSA-N 480.617 1.423 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)c2nc(Br)ccc2Br)CC1 1615208839 IKJYKYFRIVHFCI-UHFFFAOYSA-N 458.154 1.504 30 10 JDEE CCNC(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)CCC1 1615926583 ARGBENOKYZHBFT-OAQYLSRUSA-N 495.584 1.376 30 10 JDEE 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C=CCS(=O)(=O)CCn1c(N2CCO[C@H]([C@H]3CCCO3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690731907 SRGOKJJTIBWPEU-DXIQSLLYSA-N 484.619 1.304 30 10 JDEE CC(C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1691868021 HBSMQRLZPMIURG-SFHVURJKSA-N 457.604 1.881 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCC(O)CC1 1705494756 FHHAOQCZPNLWSF-RXVVDRJESA-N 471.627 1.643 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N(CC)CC)CC1 1705509339 DXLIIZVMMVXGHU-QGZVFWFLSA-N 453.613 1.276 30 10 JDEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1705561552 QYKDIYCXBVUNHQ-KRWDZBQOSA-N 487.607 1.473 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)ccc2Br)n1CCOC)[C@H]1CCS(=O)(=O)C1 1705561791 UHQSLEFZNOCQPH-AWEZNQCLSA-N 483.388 1.989 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705563339 VOFMDNTZIVIGOD-CTNGQTDRSA-N 487.626 1.549 30 10 JDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705566829 QWQMYQPEAJAXPD-HLIPFELVSA-N 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C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN(C)C2CCCCC2)CC1 1722445331 VBGYKMZKQWSRGM-GOSISDBHSA-N 493.678 1.119 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCN(C(C)=O)CC2)CC1 1722566211 MMNLLIVUCFGQKH-LJQANCHMSA-N 466.608 1.026 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1722731417 KDBKPUPIAQKGSQ-JOCHJYFZSA-N 491.570 1.497 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1740619348 NOWNVAVLMNPYSW-GCJKJVERSA-N 494.639 1.526 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740627690 IYSZAMKHAUEBKT-VAXXYWNWSA-N 488.610 1.586 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1740645710 KRRBXNSIRAHVEM-CEXWTWQISA-N 464.636 1.239 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2CC2(O)CCCCC2)n1 1740688272 COHADZMKBGWSNR-UHFFFAOYSA-N 452.563 1.857 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCNC(=O)c2cccs2)CC1 1740700488 BHBKFJMHUPWSRQ-HKUYNNGSSA-N 458.588 1.249 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(OC)c1 1740731797 IDBRFAQSFAOJLC-NFBKMPQASA-N 473.599 1.854 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CCCO)CC1 1740760322 HZTWFGSKIZWCOA-HKBOAZHASA-N 497.662 1.581 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(=O)C(C)C)CC1 1740876074 NTKJEZWEUZDTOD-SFHVURJKSA-N 468.624 1.272 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCCCO2 1740900094 MCBCJOKWWDQZNI-IBGZPJMESA-N 463.560 1.443 30 10 JDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740936908 NPHZPUOIGSHLJP-MOPGFXCFSA-N 480.635 1.357 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(NS(=O)(=O)CC)CC1 1740955814 ADUFEHANHFNHCY-UHFFFAOYSA-N 497.021 1.817 30 10 JDEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1741280789 FYPCZIDCWDGPQN-FQEVSTJZSA-N 479.585 1.664 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CN(C)C)c1 1748672260 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1749004632 LGWMNUPFTKMZMW-MRXNPFEDSA-N 466.521 1.700 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(N(C)C)c2)CC1 1749014030 CDAYQSWNTQFIQH-FQEVSTJZSA-N 484.626 1.260 30 10 JDEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749043750 KGHUIEITANICQU-FQEVSTJZSA-N 482.610 1.911 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1749103956 IFCQLFPRTLUHIR-MRXNPFEDSA-N 492.403 1.682 30 10 JDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1749458138 YXUCVRIKEDNDKN-SJORKVTESA-N 464.567 1.552 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749651628 ZJMBEZNROAILLP-MAUKXSAKSA-N 471.537 1.900 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749669112 BXVOHDCWCJIHLE-GOSISDBHSA-N 453.551 1.062 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1749731793 KMWDFQJUYIONFE-SFHVURJKSA-N 480.635 1.499 30 10 JDEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1750689892 CDIBBGRVXNKYPO-AQNXPRMDSA-N 480.635 1.802 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CCn2cc(C)cn2)c1 1760125536 ILPSGCDTUGVZRJ-KRWDZBQOSA-N 484.586 1.150 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1760185650 AMQBTZIJNUZXOB-AABGKKOBSA-N 497.687 1.071 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(COCC)cc1)[C@@H]1CCS(=O)(=O)C1 1760188801 MVYRRULHHNOYBL-HXUWFJFHSA-N 466.567 1.947 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@](C)=O)CC1 1760219352 BZNDPXUHYMLAON-GDTDKIKOSA-N 475.615 1.961 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCC(=O)N1CCOCC1 1760298511 KSCJWNROHKKIMU-JOCHJYFZSA-N 456.572 1.511 30 10 JDEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760357092 DMDOMMDQVLLJRQ-QZTJIDSGSA-N 499.634 1.803 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CN(CC(C)C)CCO1)C1CC1 1760476820 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1870157752 CDFLBBJUQWNACV-UHFFFAOYSA-N 454.406 1.627 30 10 JDEE C=CCn1cc(OCc2nc(O)c3ccccc3n2)c(=O)cc1CN1CCN(CCO)CC1 1870373656 MZQBNAKMJDXKHR-UHFFFAOYSA-N 451.527 1.372 30 10 JDEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)nc(Nc2ccc(N3CCN(C)CC3)cc2)[nH]1 1871656514 DBHHVHAEYMOELM-UHFFFAOYSA-N 493.660 1.711 30 10 JDEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)n2C 1873567688 FJWCPKVYWBBYGV-UHFFFAOYSA-N 454.556 1.767 30 10 JDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccc(O)c(O)c1 1874436198 QHZHBZXFGAISLI-BHGWPJFGSA-N 454.512 1.616 30 10 JDEE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)N1CC[C@H](C#N)C1 2006289652 YKCOPNAVBXYNHM-OAHLLOKOSA-N 461.585 1.428 30 10 JDEE CC(C)(C)OC(=O)N1CCS(=O)(=NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2255595615 JUIJBQIDBPBBRO-UHFFFAOYSA-N 454.358 1.568 30 10 JDEE CC[C@H](CN(CC)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267112500 HPUUDZPUEAJOLK-CQSZACIVSA-N 451.377 1.880 30 10 JDEE Cc1cc(C(=O)N[C@@]2(CO)CCN(C(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 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C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCN2CCOC[C@@H]2C1 1740953930 WCMQBCQYQVETRW-HNNXBMFYSA-N 491.390 1.539 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740956773 PUOHNBAPYMCQQL-GOSISDBHSA-N 460.604 1.575 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H]1CCCOC1 1740959925 HIQKOLKILHNJDM-SFHVURJKSA-N 454.579 1.617 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1740960508 UBLSSBHOKGALKI-VQTJNVASSA-N 478.663 1.431 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2CN2CC[C@@H](O)C2)C1 1740970516 MWEPNHVVLQSTCF-YADHBBJMSA-N 468.602 1.813 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccc(F)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1741021134 PTXWOIDGRYWVJI-FYTMPNSFSA-N 495.559 1.839 30 10 JDEE Cc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1742439741 AZILHQCQDBOJLH-GOSISDBHSA-N 480.598 1.838 30 10 JDEE CN(Cc1ccccc1)C(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1747742598 IETHBASHOWXSRY-GOSISDBHSA-N 479.566 1.657 30 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C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286822590 GQXIRRSMGLDFML-IBGZPJMESA-N 488.614 1.576 30 10 JDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1286823354 MGNSEAQXRDQWOB-UHFFFAOYSA-N 460.608 1.769 30 10 JDEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cc1 1290342188 DAWIRBHOUMFYSO-OAQYLSRUSA-N 454.552 1.571 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)ccc1F 1298885925 HDCCNOOSGJCTOG-CQSZACIVSA-N 459.565 1.224 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1300365486 XXYCIIVUTYIFGE-ROUUACIJSA-N 475.619 1.812 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1300498009 FXVKDXLGUYISRB-MRXNPFEDSA-N 473.509 1.667 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1300499754 WNKMWUMARXQRFR-CTNGQTDRSA-N 456.616 1.623 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1300501591 MIZLNTFYSFVTKF-FQEVSTJZSA-N 481.578 1.956 30 10 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1.221 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1301482693 AMIZAVVOXHBSJF-GFCCVEGCSA-N 473.397 1.597 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1301492868 PVUKAOVSJSWLDB-OAHLLOKOSA-N 482.010 1.404 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1301568368 SHLIZLGORJJJJR-SFHVURJKSA-N 463.608 1.672 30 10 JDEE CNC(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(CC#N)CC1 1315042387 GFHCUTXDOPNWNQ-UHFFFAOYSA-N 458.592 1.813 30 10 JDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1358933915 IMCNEGQLXQOIGH-QGZVFWFLSA-N 456.572 1.511 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1358965110 OBRPLLIIJHNVMQ-IBGZPJMESA-N 473.574 1.680 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1358980704 HCKGFALVPPZBPA-LEWJYISDSA-N 452.584 1.541 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1359035936 IWNVXHYPVXGUQM-OALUTQOASA-N 473.599 1.412 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)c2ccccn2)CC1 1359041209 PXUVADMWPUSAKU-QGZVFWFLSA-N 487.630 1.227 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2cncn2)C1 1359202864 DEDCQCJBVJMMCP-MSOLQXFVSA-N 464.596 1.400 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2sccc2[C@H]1CC 1359291890 DOVUKKQCSGFHFN-DZGCQCFKSA-N 452.606 1.766 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1359333816 KYNVEIZKWJUWKA-GOSISDBHSA-N 476.603 1.968 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1359336302 LFFAMJHSGNLEDJ-UHFFFAOYSA-N 498.657 1.979 30 10 JDEE Cc1nsc(N2CCN(C(=O)c3ccc4c(c3)S(=O)(=O)N(C(C)C)C4=O)CC2)c1C#N 1460634356 HPOWFJOIPLJEKB-UHFFFAOYSA-N 459.553 1.839 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N(CCN2CCOCC2)Cc2ccco2)ccc1F 1460903141 OSNGTZZVHSSKDS-UHFFFAOYSA-N 451.520 1.858 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(O)CCS(=O)(=O)CC1 1507520305 OBZKBBSHZURVCR-MRXNPFEDSA-N 454.556 1.733 30 10 JDEE C#CCCCCn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1507574157 LUWSLWUSAWPTAJ-FDDCHVKYSA-N 458.563 1.500 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(C(=O)N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1507635265 QSFBUPBHKQWNSA-FQEVSTJZSA-N 484.626 1.539 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1507638884 HOUFVLPEEWITQL-CVDCTZTESA-N 474.583 1.252 30 10 JDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCN(CCN(C)C)CC1 1507654344 ZDSGQVGCJWLPOI-UHFFFAOYSA-N 489.672 1.799 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCNC(C)=O)CC1 1507731151 BYLYTDZYIAHYKQ-UHFFFAOYSA-N 473.622 1.674 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1507735215 OKDXLJDSSVSPOT-SANMLTNESA-N 494.596 1.797 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)Nc2ccc(F)cc2)CC1 1507736636 RENYIAPZGJBIJI-RUZDIDTESA-N 498.559 1.674 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1507737929 HEECWBFMFXZJAS-LJQANCHMSA-N 450.591 1.821 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2ccccc2)CC1 1507739973 WGTQFNRHCHAFIU-OAQYLSRUSA-N 469.611 1.779 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)cc2F)CC1 1507885187 UKRHIZVGWFPWJJ-IBGZPJMESA-N 465.551 1.963 30 10 JDEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CCS(=O)(=O)CC1 1507987008 LGTWATPBSOGDGR-IYBDPMFKSA-N 469.608 1.611 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(Cn2ccnn2)CC1 1508075242 WVBKXKFMSHYTNK-UHFFFAOYSA-N 451.491 1.664 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1508090968 KQZQRKCQOYVGET-CRAIPNDOSA-N 481.525 1.339 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2nccs2)C1 1508128353 XMBIOLBSSLVODM-IRXDYDNUSA-N 482.632 1.482 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C 1508129400 BXOOYZLZZJEYGI-LNLFQRSKSA-N 481.644 1.872 30 10 JDEE 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30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)CC1 1311206081 BUMJBTOTIXIMCE-UHFFFAOYSA-N 457.512 1.195 30 10 JDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1315966552 FARZHPCCRAFSCV-HRAATJIYSA-N 462.576 1.074 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccc(F)cc1 1358977990 BDLWGSOEYGZOOW-XLIONFOSSA-N 459.547 1.627 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC(=O)N[C@@H](C)CC)CC1 1359035675 AYMYVXDUQDHUFZ-FQEVSTJZSA-N 479.633 1.512 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCS(=O)(=O)C(C)(C)C)CC1 1359038338 SLNGQZRUDBMBEX-UHFFFAOYSA-N 478.644 1.238 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(-n3cncn3)nc2)CC1 1359045802 UOIDQCRFKFXJJC-UHFFFAOYSA-N 461.574 1.857 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC(=O)NCC(F)F)CC1 1359047876 WVPSJEKXPCTUFL-UHFFFAOYSA-N 478.475 1.343 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1359060066 IVGAQSCROHEOMB-OAQYLSRUSA-N 484.674 1.639 30 10 JDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1359121972 QFFWUTLMAHNNOR-ZWKOTPCHSA-N 464.636 1.326 30 10 JDEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1359196028 WCGBPPIDKJRZLJ-WOJBJXKFSA-N 452.559 1.712 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1-n1cccn1 1359272104 KYLMKILFVTZZBG-LJQANCHMSA-N 484.586 1.418 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(N)=O)C1 1359299703 LJPBOEQUOABVIT-HOTGVXAUSA-N 461.567 1.006 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1359333019 MKVFPPXTSJCZHT-SFHVURJKSA-N 494.639 1.826 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1359335612 PYDGTKBDGHPANT-QFIPXVFZSA-N 462.572 1.762 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)C1=O 1459838596 DGXVAMAERVATQJ-CYBMUJFWSA-N 453.282 1.582 30 10 JDEE CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1502342775 DQRULKKDOLPPGY-OFNKIYASSA-N 499.685 1.962 30 10 JDEE CN(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)c1c(F)cccc1F 1503380483 HQUOLZXWWMXOGA-RLFYNMQTSA-N 480.541 1.490 30 10 JDEE CNS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](F)(C#N)C1 1503834763 FKVFLZUSVTUZBL-YWZLYKJASA-N 485.586 1.384 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CC1(S(C)(=O)=O)CC1 1504872564 CIDSVYSGJRQEEF-UHFFFAOYSA-N 486.598 1.616 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507629674 VZOLOUATLJBBSZ-WLENULPWSA-N 490.582 1.129 30 10 JDEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507630096 SRZCPBNKBONYKP-QGZVFWFLSA-N 452.540 1.208 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507631377 OYOQOFTVEWBQBQ-RXVVDRJESA-N 467.599 1.830 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1c(CC)nn(C)c1OC)[C@H]1CCS(=O)(=O)C1 1507633305 CRVLJORTRWTLBE-SFHVURJKSA-N 483.598 1.243 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1507635247 QOTRIEBHCUBWSW-ADKRDUOOSA-N 466.654 1.858 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC2(C1)OCCO2 1507645395 YWQKSJMRQBFLTN-GOSISDBHSA-N 454.552 1.965 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)c(O)c2)CC1 1507740497 ULNSMLCIPDKNDX-UHFFFAOYSA-N 460.538 1.992 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1507944870 WNZCYRVORMPSES-HOTGVXAUSA-N 459.580 1.231 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCOC(C)(C)[C@@H]1C 1508085203 GEJJOPSMXQCHPI-INIZCTEOSA-N 465.558 1.981 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1508086313 YUVPAPXVBLADMQ-AEFFLSMTSA-N 455.563 1.916 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1508141081 SJOCACPZUOOORA-UHFFFAOYSA-N 488.589 1.993 30 10 JDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCn1cc(Br)cn1 1517328788 AEGPMZHIZVMXIW-UHFFFAOYSA-N 493.391 1.461 30 10 JDEE C#CCn1ccc(CN(CC)C(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)n1 1525223726 FUROKOCSMGOLTL-UHFFFAOYSA-N 453.362 1.948 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCOCCS(C)(=O)=O 1539002641 FXYFMCUKQMCFRI-QGZVFWFLSA-N 486.598 1.755 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@@H]2CCOC2)c1 1539037238 CSHRRYRHVDDVNJ-FUHWJXTLSA-N 474.587 1.371 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1539125906 PSDMJJJYQUOYJB-SJORKVTESA-N 461.592 1.422 30 10 JDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1539148464 LCKGAYSAYQZYCX-OALUTQOASA-N 459.620 1.168 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1539216486 STYQBCOSPOKHRP-HTAPYJJXSA-N 455.540 1.776 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCOCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1539218922 ALOFSPWYCLVSQA-AZUAARDMSA-N 487.582 1.081 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC1CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1539231470 VVZXXIDBDGRFMM-NYLDSWQDSA-N 474.631 1.972 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)C 1539393029 ZNYWRWBNJTZWGC-XLIONFOSSA-N 478.594 1.340 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(SC)cc2)CC1 1539431202 QIANXXPCYDESBZ-KRWDZBQOSA-N 462.645 1.608 30 10 JDEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1540069262 LRVKNRRSGOPKNM-QFIPXVFZSA-N 472.571 1.237 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCNC(=O)C(C)C 1540871620 PRLFSRSYCLLBTL-KRWDZBQOSA-N 493.609 1.097 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1540873572 CKYULIXQSVJBSC-INIZCTEOSA-N 461.567 1.148 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1540873758 ITDPENYBDGUCAH-MHECFPHRSA-N 455.559 1.758 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1CCCCS1(=O)=O 1541911000 HLBBIEYWKGUSAQ-MAUKXSAKSA-N 480.616 1.364 30 10 JDEE C#CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1588050916 XYSIDZSMMTVVTD-HNNXBMFYSA-N 483.019 1.617 30 10 JDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCNC(=O)c2cccc(O)c2)CC1 1588848805 NJVCTKMJLWKKNH-UHFFFAOYSA-N 459.554 1.545 30 10 JDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1589042597 HPECZVJCZSVCDQ-UHFFFAOYSA-N 455.632 1.785 30 10 JDEE C=CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)CC1)c1ccccc1 1594544963 PAOFIMUYWGJNPS-RBUKOAKNSA-N 464.613 1.775 30 10 JDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1595314429 WQQCIQGLJDXVCO-RBUKOAKNSA-N 466.590 1.928 30 10 JDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1595434856 YOARBFMCEVJOJE-IBGZPJMESA-N 473.647 1.687 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1595467786 ZTPVGZNEMRBTJB-SFHVURJKSA-N 460.485 1.672 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1595497068 OYOZIRKEUYDYTJ-GOSISDBHSA-N 498.584 1.864 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@](C)(c2ccccc2)C1 1595823257 MRAYPRDKPZANKZ-QHCPKHFHSA-N 473.599 1.753 30 10 JDEE COc1ccccc1N1CCN([C@@H]2[C@H]3OC[C@@H](O3)[C@H](NC(=O)Nc3cccc(C#N)c3)[C@@H]2O)CC1 1616152865 KONIYMJNZOQGRF-DFWAIWNTSA-N 479.537 1.364 30 10 JDEE CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1N(C)CCCC1(C)C 1618314756 HUXLMVOVKDXWRC-HXUWFJFHSA-N 489.646 1.835 30 10 JDEE COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cc1Cl 1619272243 GKSPEADUFHVXBD-OCCSQVGLSA-N 454.940 1.327 30 10 JDEE C=CCC[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)C(=O)OCC 1640863722 LVRWGACHUTWWRF-RDJZCZTQSA-N 450.513 1.638 30 10 JDEE C#CCN(CC(=O)Nc1sc(C(=O)NC)c(C)c1C(=O)OCC)CC(=O)OC(C)(C)C 1643725688 JQBWHRJJEIDIHP-UHFFFAOYSA-N 451.545 1.808 30 10 JDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1652814188 AFQHTHBKMIHDCQ-UONOGXRCSA-N 452.602 1.451 30 10 JDEE C#CCC1(NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)CCOCC1 1667134630 MXNBGUPULISVMM-UHFFFAOYSA-N 451.545 1.800 30 10 JDEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1668971500 DGBWMXQSZCLJIJ-SFHVURJKSA-N 454.961 1.559 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccc(C)c(F)c1 1689827766 IZJFGTJADMRULO-CABCVRRESA-N 450.540 1.224 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCO[C@@H]2C)c1 1689868405 FWKMYSDOCQARGX-PBXQCXKZSA-N 497.596 1.915 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2conc2COC)c1 1689868581 LDQGBRRTPQIPHQ-UHFFFAOYSA-N 477.525 1.753 30 10 JDEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(OCC(N)=O)CC1 1689892864 OTJQCMLXWCHSSK-LJQANCHMSA-N 490.605 1.861 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1689931806 ITMCLJHAXKJLNQ-FGTMMUONSA-N 477.562 1.360 30 10 JDEE C#CCN(c1nnc(C)n1CCCS(=O)(=O)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689982629 QZMOYSNGQGGEEN-IBGZPJMESA-N 450.586 1.218 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689984756 UWKLNBGUHWLGJK-GOSISDBHSA-N 477.974 1.084 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1690013104 BJUSYLAPQFQQHF-WOJBJXKFSA-N 483.642 1.810 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(CC(F)(F)F)CC1 1690033262 UHUJLLGYDHAYOW-MRXNPFEDSA-N 474.553 1.626 30 10 JDEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1690183377 WCJHFMNDFFCXSC-UHFFFAOYSA-N 463.629 1.922 30 10 JDEE C=C(C)COCCn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1690320226 NSAOOEKXSFIUFR-NQIIRXRSSA-N 456.609 1.926 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2csc(COC)n2)C1 1690700610 VIGBEHHTLBWWCI-GDBMZVCRSA-N 453.590 1.613 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1690722384 HOQNJDKHCCTNDR-UHFFFAOYSA-N 489.646 1.898 30 10 JDEE Cc1cccc(C(=O)NCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c1 1693162675 BSQWIHFOELCKTB-YWZLYKJASA-N 463.539 1.069 30 10 JDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1cccc(S(=O)(=O)NC)c1 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C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1705627001 QRIZWHXUMPFRFC-IBGZPJMESA-N 479.585 1.482 30 10 JDEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1C[C@@H]1CCCS(=O)(=O)C1 1705630916 LPBKGIDTSHQROO-KRWDZBQOSA-N 450.536 1.907 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(=O)N(C)C2CCCCC2)CC1 1705635089 QUDUHUQGDYNEBX-VWLOTQADSA-N 472.634 1.865 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCNS(=O)(=O)CC)CC1 1705645997 MZQALNYBAAEMHS-UHFFFAOYSA-N 495.609 1.398 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCS(=O)(=O)N(C)C)CC1 1705646671 NCAFESASZHMFKS-UHFFFAOYSA-N 479.006 1.456 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(N(C)C)cc2)CC1 1705647852 NEAGJCJJJXLKDK-NRFANRHFSA-N 463.586 1.504 30 10 JDEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOC)CC1 1705682680 HTUJJLPDTGEYEH-UHFFFAOYSA-N 474.367 1.598 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H](C(N)=O)C1 1705902338 CGGMYXDXBJKXBB-KRWDZBQOSA-N 475.594 1.397 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1722274498 PSXVNMVFDDXICG-ZSYWTGECSA-N 472.590 1.996 30 10 JDEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1722370561 CLYDKZIQCJPPSL-ROUUACIJSA-N 459.547 1.961 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC(C)C)N(C)C 1722397120 NCBNKZJYAWGDLC-VQTJNVASSA-N 464.636 1.050 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1722510827 WZVGRYHNTMPTCG-AVEIZBFRSA-N 474.649 1.419 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1722693681 XHMCMDJQHABCKI-UHFFFAOYSA-N 483.330 1.873 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722728724 APDNQFSXGQNUBJ-JOCHJYFZSA-N 461.588 1.441 30 10 JDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722737841 SVHUWFNPTXCYIA-OAHLLOKOSA-N 474.612 1.735 30 10 JDEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(=O)(=O)Cc2ccon2)C1 1726626889 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C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1740696830 HUVORTHKCPTLBY-HXUWFJFHSA-N 477.034 1.702 30 10 JDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740742594 VSWWGWNLLADBIR-SFHVURJKSA-N 463.340 1.402 30 10 JDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1740786665 LFPFDPODKJJRLV-UHFFFAOYSA-N 461.611 1.144 30 10 JDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](NC(=O)CC)C1 1740959349 SKBRCHRSOPUQCB-HNNXBMFYSA-N 464.530 1.391 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1740963598 PUIXIRJABIRXPR-UHFFFAOYSA-N 480.548 1.543 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCN(CC)C(=O)C1 1740987777 YTPPAPMRKPMYCH-UHFFFAOYSA-N 483.598 1.995 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1740989280 HNAQWUVQBDYVFJ-UHFFFAOYSA-N 488.536 1.779 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](O)(c1ccccc1)C(F)(F)F 1748640872 XYSJMVMFIBYLBH-DEYYWGMASA-N 459.494 1.796 30 10 JDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1748756422 LUJLKMUVXDYHSF-FQEVSTJZSA-N 458.588 1.308 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1748803930 BEKOXRMBLGQRLP-WMZHIEFXSA-N 480.631 1.641 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CC(=O)Nc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1748819124 LCMVTSUSGLVOAH-FQEVSTJZSA-N 482.541 1.668 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1748824258 MNCLSYJZXDNKLH-FZONSQQESA-N 480.631 1.629 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@]1(O)CCS(=O)(=O)C1 1748825691 CHEVMHATTIXKBG-AUSIDOKSSA-N 456.568 1.657 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)N(C)c2ccccc2)CC1 1748972795 QQQUNQBNQZUFMP-OALUTQOASA-N 459.620 1.168 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCNC(=O)C2CCC2)CC1 1748994348 DTTDXVJJIQDEIK-UHFFFAOYSA-N 469.615 1.331 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1749045070 ZKYPIWMYRBQSOG-JOCHJYFZSA-N 481.626 1.116 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2O)C1 1749103515 AHTPTBMPWBJGAZ-CYBMUJFWSA-N 454.350 1.752 30 10 JDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1749426831 IPNFQHFJLVSCDX-NJDAHSKKSA-N 492.690 1.773 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC1CCOCC1)C1CC1 1749518997 CEXGESMHVITKFE-LJQANCHMSA-N 453.609 1.973 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC)[C@@H](C)C1 1749730599 KAQIUTRKQWAJFL-HNNXBMFYSA-N 450.565 1.137 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](COC)C1 1749755330 FTPPLXIDHZSJBK-QZTJIDSGSA-N 473.665 1.783 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760180199 ABVVXCCVTSKTEG-JCUDRXCFSA-N 493.674 1.677 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760189234 SSIKOUTZAIEADY-HMXCVIKNSA-N 475.590 1.851 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1760189904 REMXBNIACMRLQJ-KRWDZBQOSA-N 456.528 1.458 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1760262283 KRMAJKAQRWAINY-UHFFFAOYSA-N 453.610 1.789 30 10 JDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1760305461 GSGRJMWCNBESOX-SFHVURJKSA-N 485.390 1.936 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760412207 XUWVHGZTHIPISR-HOJAQTOUSA-N 457.623 1.820 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1760518173 LBRJWCYBFFPVFF-UHFFFAOYSA-N 494.600 1.710 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1760551044 ROKYXJWJPCUOBQ-HNNXBMFYSA-N 463.560 1.230 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)C1 1760587708 ZQOVNBJDMXTIPR-FQEVSTJZSA-N 491.552 1.943 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCn2cccn2)c1 1766939870 CIYQOYIGVACNFY-SFHVURJKSA-N 470.559 1.211 30 10 JDEE 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CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268720706 AGQKALGVLQCNDU-MPBGBICISA-N 466.369 1.224 30 10 JDEE Cc1c(C(=O)N(C)C2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281804001 FUIFSRLSWTVIFO-GJZGRUSLSA-N 460.384 1.965 30 10 JDEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2281971878 LGMMVFDGNUITHS-OAGGEKHMSA-N 464.372 1.520 30 10 JDEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)OC1(C)C 2282497036 KWIBHOXGJJHDNY-OLZOCXBDSA-N 478.273 1.661 30 10 JDEE Cn1cc(C(=O)N2CCC(CO)(NC(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2282551674 LIVIMVPBELPXNS-UHFFFAOYSA-N 464.372 1.211 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)NCc3ncc(B4OC(C)(C)C(C)(C)O4)s3)[C@@H]2C1 2284017646 IDVBGMXFPCOXAS-KKUMJFAQSA-N 479.408 1.940 30 10 JDEE CC#CCN(CC(=O)NCC(F)(F)C1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2316006892 BFIPQFVROYZFLN-UHFFFAOYSA-N 461.506 1.980 30 10 JDEE 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COc1ccc(OC)c(/C=C/C(=O)[C@@H]2C[C@H](NC(=O)CNC(=O)c3ccccc3)CCN2)c1 585827913 KOOWMKYQQCQNEY-ANXGTHGUSA-N 451.523 1.953 30 10 JDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)Nc3nnc(CC)s3)cc21 586362857 WPLBQFJVFLKYOD-ZDUYTPDQSA-N 462.553 1.971 30 10 JDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)[C@@H]1CCS(=O)(=O)C1 918754999 QUWQSWBVVCZIML-LJQANCHMSA-N 452.598 1.353 30 10 JDEE COC(=O)[C@@]1(C#N)[C@H](c2cc(OC)c(OC)c(OC)c2)[C@@H](C(N)=O)N2C=C(C(C)=O)C=C[C@@H]21 1076386071 LLNUFVTVLZRLCP-CROMWVBPSA-N 455.467 1.060 30 10 JDEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3cc(OC)c(O)cc3[N+](=O)[O-])n2)o1 1084590154 NJNJLPIMNWMTIG-UHFFFAOYSA-N 477.463 1.227 30 10 JDEE C=CCCC[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 1155475494 QAQFWBUESNPMOF-NCOADZHNSA-N 458.577 1.671 30 10 JDEE C=CC[S@@](=O)(=NC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1)c1ccccc1 1158669659 IWHCNGIXJXYVIU-NDEPHWFRSA-N 455.583 1.902 30 10 JDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(c3sccc3C(=O)OC)C2=O)n1 1229829957 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C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1286473398 LJTUKSFHFKEEEW-HXUWFJFHSA-N 452.559 1.632 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCS(C)(=O)=O)CC1 1286493922 HYPBHAZKVMNFMV-QZTJIDSGSA-N 465.620 1.207 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1286788743 FDRIUIMOFHWYAU-UHFFFAOYSA-N 477.548 1.550 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CCSC2)C1 1286805085 QGQVQJWMIWHHIY-UWJYYQICSA-N 464.613 1.998 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(C)C)CC1 1286819352 HSAFZTKLNUEQJX-UHFFFAOYSA-N 485.614 1.973 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1286821058 ZGYCQXZGFNIZNW-HXUWFJFHSA-N 477.635 1.566 30 10 JDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)CC1CC1 1287087394 AWKNNGIQARPLFQ-RCCFBDPRSA-N 451.593 1.750 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCC1(O)CCOCC1 1291194906 GZPCSAPPJYPPND-KRWDZBQOSA-N 454.579 1.884 30 10 JDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1300344664 HFFWUERCUKPZKS-HXUWFJFHSA-N 488.614 1.340 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc4ccccc4o3)n2CCCNS(=O)(=O)CC)CC1 1300688222 CMWPDYUPKCRJPU-UHFFFAOYSA-N 456.572 1.776 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1300725834 DUFFNFOKJPTPTB-FQEVSTJZSA-N 470.599 1.197 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1300726897 SRMXVFIKOQLHLS-IBGZPJMESA-N 466.577 1.798 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCN(CCN(C)C)CC2)CC1 1301085560 NTRUFZIWHXRELL-HXUWFJFHSA-N 450.653 1.610 30 10 JDEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNS(=O)(=O)Cc2ccon2)CC1 1301129923 HAUBIYWFWOMYLR-UHFFFAOYSA-N 474.591 1.650 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(COC)CC1 1301152498 ZFFDFXWNVMSDKI-GOSISDBHSA-N 453.609 1.996 30 10 JDEE C=CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1301426554 SYMHOQJGFPLSLI-JOCHJYFZSA-N 459.572 1.539 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301578181 ZICAABBBBPXFCN-UHFFFAOYSA-N 493.977 1.115 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CC1([S@](C)=O)CC1 1301772327 GZISLTQYUQLJLT-XIFFEERXSA-N 470.599 1.950 30 10 JDEE C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(C(=O)NCC(=O)N(C)C)c(Cl)c2)c1 1310433120 RTUUTRPZZIVZTR-UHFFFAOYSA-N 455.902 1.900 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn2ccc(C)cc2n1 1358891072 ZDAWFWIFZCUYMD-AEFFLSMTSA-N 457.560 1.073 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1358912152 KEPAMPXURIYJTA-AEFFLSMTSA-N 479.628 1.829 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1358930085 OBBAGZWCWIKGPT-KRWDZBQOSA-N 459.576 1.109 30 10 JDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CN(CC(C)C)CCO1 1358949195 VJFQTMJYNOJFJV-NRFANRHFSA-N 452.607 1.878 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1359037104 VUENTBCRYKYKTB-HXUWFJFHSA-N 456.616 1.214 30 10 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474.583 1.982 30 10 JDEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)C(=O)NC 1507704206 SPBPEHXACPCFQG-UHFFFAOYSA-N 475.619 1.405 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccsc2)N(C)C)CC1 1507719781 AWPMTZZSUONMDT-AEFFLSMTSA-N 465.649 1.008 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCN2CCCS2(=O)=O)CC1 1507735801 HMTHLJUDASPJID-JOCHJYFZSA-N 498.653 1.821 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(Br)n2)CC1 1507738673 VBHGXEHWQQRMDG-MRXNPFEDSA-N 486.374 1.401 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc(CC)nc1C 1507772774 NGXKHSPCMVVLJE-DYESRHJHSA-N 462.576 1.510 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1507789675 HVJSWZYGWQVSQR-MRXNPFEDSA-N 467.412 1.999 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507809594 WBFAESYHNFRJIZ-UHOSZYNNSA-N 453.609 1.971 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)(C)C)CC1 1507844393 JIDGHPLGQNRXNH-SFHVURJKSA-N 470.640 1.124 30 10 JDEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(=O)N2CCOCC2)CC1 1507898364 XIWMBIBWVRRMJZ-UHFFFAOYSA-N 488.614 1.457 30 10 JDEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1507950252 BMYUFQAWIATLRW-FQEVSTJZSA-N 460.604 1.861 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1508072492 IJPRGWSPBZCGEF-AWEZNQCLSA-N 464.368 1.690 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1508075159 VIHFCEIZDGVMJX-UHFFFAOYSA-N 456.547 1.569 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1508093536 INPRQXIRWQVBDD-UHFFFAOYSA-N 464.617 1.263 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1508134786 WDRLRQQZHIGOKR-OAQYLSRUSA-N 487.626 1.936 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1508142901 CCGQABBSHXDGBL-UHFFFAOYSA-N 460.585 1.188 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1508145991 STZFRPHBXLGNAP-PMACEKPBSA-N 457.556 1.832 30 10 JDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C(C)C)N1CCOCC1 1513977755 CTDSRRWHXXAUDK-FGZHOGPDSA-N 481.601 1.800 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OC(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1539216395 RDCZXKTVGKWAFS-SFHVURJKSA-N 467.555 1.592 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1539219529 DDZSJWNLMOGWGK-MSOLQXFVSA-N 460.556 1.474 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCN1CCCCCC1=O)[C@H]1CCS(=O)(=O)C1 1539220255 HSHLVBUAXKEPPZ-PMACEKPBSA-N 477.631 1.592 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCN(C(C)=O)CC1 1539291488 RLGJLXFHVUBGFL-UHFFFAOYSA-N 475.597 1.774 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1539428790 WPXRHZIEHVUIQX-UHFFFAOYSA-N 471.606 1.669 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1539630208 CZSRYGHZAIEOTF-QYZOEREBSA-N 478.619 1.722 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(O)c2)CC1 1539751435 NFUNUEFITYHOQP-SFHVURJKSA-N 461.588 1.805 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1540036478 NPRUCWZBMSDURZ-MSOLQXFVSA-N 491.618 1.171 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)[C@@H]1CC 1540864142 QHJTZDFKIUBWCS-ZDUSSCGKSA-N 450.341 1.063 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@H]1CCSC1 1540873555 BSHBAXSWASUXKO-NRFANRHFSA-N 469.659 1.887 30 10 JDEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1547222130 DWXQOAFJDZVHAJ-FQEVSTJZSA-N 465.558 1.418 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1588039512 AANGDNJQHKMJIN-HZPDHXFCSA-N 451.936 1.036 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588059623 QZJOPXGYVNPXEF-LJQANCHMSA-N 459.547 1.161 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588074673 PSCASXMFPDGQDU-CMOCDZPBSA-N 493.674 1.893 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1588174182 RRXWIGJASVIUGL-HXUWFJFHSA-N 476.585 1.331 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSc2ccccc21 1588234025 ZAUIFTOIPHWHGL-AZUAARDMSA-N 485.635 1.963 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSc2ccccc21 1588234027 ZAUIFTOIPHWHGL-QUCCMNQESA-N 485.635 1.963 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccs1)N1CCOCC1 1588639093 ZNJTUBBZYVGDOL-ZWKOTPCHSA-N 458.588 1.450 30 10 JDEE C#CCN(CCOC)c1nnc(COc2ccc(C)cc2)n1CC1(O)CCS(=O)(=O)CC1 1588695104 DNDNNFPUCSTNPS-UHFFFAOYSA-N 462.572 1.191 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(=O)N[C@H](C)CC)c2)CC1 1588811314 GGAAKEZTUKJFHZ-KNQAVFIVSA-N 498.653 1.512 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1588849113 ZKQWEVREYNIKRY-UHFFFAOYSA-N 451.575 1.886 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccccc2)N(C)C)CC1 1588961538 CXXPGWMENLTTCT-JOCHJYFZSA-N 477.613 1.669 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC(C)(C)C1 1589068993 HBUXEYARQQKODH-IAGOWNOFSA-N 455.650 1.850 30 10 JDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@H](C(F)F)N1CCOCC1 1594913014 DDTKKUNBZMCZKL-GOSISDBHSA-N 459.505 1.899 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1595218018 DZUWVYLHMDDDDC-IPJJNNNSSA-N 481.619 1.518 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(Br)cc1 1595477395 UFUIDGNLRPTNRU-CYBMUJFWSA-N 485.408 1.589 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC1CCOCC1 1595497119 QJXSCUJGIMGCQV-UHFFFAOYSA-N 476.603 1.360 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)COC)CC1 1595577033 GZWDBWIEAFRYHX-UHFFFAOYSA-N 484.601 1.752 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)c3ccc(O)cc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1595601971 BUTUZHWEOJCNJS-RUZDIDTESA-N 498.584 1.289 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCCCC2)CC1 1595760342 LZXSRXFDLZCKHO-UHFFFAOYSA-N 487.630 1.981 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1595812700 ZGEDNWRJXROMAV-UHFFFAOYSA-N 494.621 1.888 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1610269903 HTBNRZAMYCHMTH-VGSWGCGISA-N 474.587 1.529 30 10 JDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(N2CCOCC2)nc1 1611331126 HXPQMKPHVDLHRP-KRWDZBQOSA-N 460.542 1.797 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)C1=O 1625411760 POBWFXADHDYLNL-CQSZACIVSA-N 454.252 1.465 30 10 JDEE C=CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)C(=O)OCC 1633797031 KMQOEABVRMWXDY-KRWDZBQOSA-N 454.545 1.729 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCO[C@](COC)(C(=O)OC(C)(C)C)C2)c1 1663373505 UPOFDNUITLASDE-OAQYLSRUSA-N 454.545 1.350 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1690043415 AHDGIRSHUNPKIE-UHFFFAOYSA-N 466.567 1.743 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)c(F)c1 1690077311 MLSYAMNFYCLGCU-IBGZPJMESA-N 464.567 1.324 30 10 JDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)c1cc[nH]n1 1690086878 BIONDLRHJPURFQ-IYBDPMFKSA-N 456.551 1.661 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CSCCS2)CC1 1690137884 KUFOCDUCTXDQLT-GCJKJVERSA-N 479.672 1.745 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cnn(C)c2C)CC1 1690139351 JBIWWIIIFOLYAE-UHFFFAOYSA-N 495.609 1.405 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCNC(C)=O)CC1 1690140259 SEYVFPBLNDEFES-UHFFFAOYSA-N 466.542 1.208 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCCCOCC)CC1 1690143797 CGNVMFYSSPYLMK-UHFFFAOYSA-N 456.547 1.788 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690159977 SLEHRPJNTYWBNB-AEFFLSMTSA-N 475.596 1.650 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](N1CCOCC1)C(F)(F)F 1690256403 LECPQSIRTRRZAK-LSDHHAIUSA-N 468.546 1.554 30 10 JDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690491645 FXZFAZDPCHBVGY-UHFFFAOYSA-N 454.560 1.823 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1690723830 BVFPZKLYIXHQPB-PCCBWWKXSA-N 480.679 1.378 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1690724468 PQCZVOUZESQUOC-QGZVFWFLSA-N 492.602 1.468 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1690724948 ZFJCVOUKTHYJHM-QRVBRYPASA-N 453.609 1.277 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1705560940 MBEOZDKCHBSBEI-IBGZPJMESA-N 469.527 1.685 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1ccc(C)cc1O[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1705568197 JCURNMGDUVMBKH-RTWAWAEBSA-N 488.610 1.966 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1705569982 LNQWGXSVGBVCQS-SFTDATJTSA-N 458.584 1.496 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCOC[C@@H]2C)n1 1705631931 SNAPHFMUHKPGCS-NSHGMRRFSA-N 455.563 1.385 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1705679455 OJPDLVQNDRVCTD-UHFFFAOYSA-N 479.339 1.955 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](CN2CCOCC2)C1 1705728985 HDYJIOUUUWLHOD-LJQANCHMSA-N 455.563 1.677 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@@](=O)C(C)(C)C 1705875601 AAXZEWUWPRKHSJ-GUNSETOZSA-N 459.638 1.337 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cc(C)on1 1705903514 XILINXKARNCBTA-UHFFFAOYSA-N 451.535 1.687 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc3c(c2)CCO3)C1 1705917506 XAKNGLGGTJBMNS-LPHOPBHVSA-N 461.588 1.847 30 10 JDEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)C[C@H]1C 1710206822 GXYBCCJQEYDNHR-UXHICEINSA-N 464.618 1.900 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1712442750 IDIDBYIJMPAKSR-NHCUHLMSSA-N 488.614 1.731 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccn(CC)c2=O)c1 1722308665 CTYHKEYKSVCEDU-FQEVSTJZSA-N 473.537 1.515 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCN(C(C)=O)C1 1722346101 LYFKALJSGHIWAA-SFHVURJKSA-N 458.588 1.523 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1722364220 FIIZHFQWKLQXNM-FQEVSTJZSA-N 481.578 1.956 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1c(CC)nn(C)c1OC)[C@@H]1CCS(=O)(=O)C1 1722367686 XDXIOUQTCHICAG-GOSISDBHSA-N 483.598 1.243 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1722367887 NOMJHNFVLNHUDQ-BTYIYWSLSA-N 463.560 1.040 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCCN2CCCCC2)CC1 1722437462 MZVKYLLOKGALPF-NRFANRHFSA-N 462.664 1.592 30 10 JDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O 1722457563 GHIWOUOFMINBBU-OAHLLOKOSA-N 474.612 1.428 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N(C)Cc2ccccc2)C1 1722719353 TUZYKOQXWFASGO-WOJBJXKFSA-N 473.599 1.620 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccccc1 1722727198 GSJMAZVBRUXGKH-MJGOQNOKSA-N 497.643 1.409 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1722729388 ZYXICQZBTLQBER-PGRDOPGGSA-N 494.639 1.187 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(C(F)(F)F)CC1 1722733089 XAEZUWVUJNMKKD-GFCCVEGCSA-N 457.544 1.701 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)[C@@H](C)C1 1722794575 SILJQOHWJGXTCK-JXFKEZNVSA-N 465.558 1.700 30 10 JDEE CCc1nn(C)c(OC)c1Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H](C)C(=O)NC 1727482268 FAAKSAUIUAWMKO-HNNXBMFYSA-N 450.547 1.988 30 10 JDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1730401791 HWNSEEJDXUUKAQ-SLFFLAALSA-N 459.572 1.882 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1740617982 ZVAOQXNULGWBAH-CVEARBPZSA-N 463.535 1.320 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1740621587 NZNFPWCUNBBCBY-GOSISDBHSA-N 450.524 1.114 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740625350 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C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1286381390 GJGZNMZEZMGDTG-HMFYCAOWSA-N 466.604 1.372 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1286383085 LADUDZYBICNESW-KNKQGSTJSA-N 464.588 1.638 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286402552 BORFZZXOJLPWMY-QGZVFWFLSA-N 457.556 1.317 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ncccc2C)n1 1286471071 HGTMSUTXJDKUEY-LJQANCHMSA-N 483.598 1.415 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOCc2ccc(OC)cc2)CC1 1286480702 ZGPFFJKWDHFBPQ-NRFANRHFSA-N 452.559 1.600 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N1CCCCCC1 1286522106 HERQUVBHXIKYBT-AUSIDOKSSA-N 492.646 1.396 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1286565841 LKMHZECCEUZWRG-OFNKIYASSA-N 460.623 1.930 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1286776468 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499.519 1.373 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN(c3cccc(O)c3)CC2)nnc1[C@]1(OCC)CCOC1 1301596667 VMJVNQYQHGKOEL-QHCPKHFHSA-N 491.614 1.563 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(O)c1 1358913049 DUBNBSMCVCKJQG-FQEVSTJZSA-N 477.587 1.765 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1358957509 VLCPRSYUUAVTFJ-JKSUJKDBSA-N 473.534 1.361 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(S(=O)(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1358957698 YLTMDMIFFZRCBG-AEFFLSMTSA-N 479.628 1.375 30 10 JDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1359059150 BZDARZDCQPMATN-HSZRJFAPSA-N 483.686 1.862 30 10 JDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359059730 XZXHKWAWGMIRQV-UHFFFAOYSA-N 454.647 1.472 30 10 JDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1359142201 BXUPBLDDVRQSOM-CQSZACIVSA-N 470.983 1.813 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCCC[C@H]1C 1359240368 MOOFBFAEDRZPCY-MOPGFXCFSA-N 454.641 1.888 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1359298969 QMPSWVNOBICLQU-NQIIRXRSSA-N 456.522 1.621 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359305756 LYCOYUMMAQVXIC-UHFFFAOYSA-N 499.597 1.402 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(C)cc(OC)c2)C1 1359322634 ZMBTUDDDLQEFTJ-CTNGQTDRSA-N 491.614 1.758 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1359327140 SYNOYLNQYTULKW-IAGOWNOFSA-N 459.576 1.199 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1359342922 HUEOCDSZSHHHSG-NXHRZFHOSA-N 471.649 1.534 30 10 JDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(N(C)C)CCSC2)CC1 1360298724 HXOACPYDOOROGY-VWLOTQADSA-N 496.685 1.901 30 10 JDEE COCC(=O)N1CCCc2ccc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)cc21 1456440261 DATKOJPPDUSQTN-OAHLLOKOSA-N 456.524 1.789 30 10 JDEE C#CCN(C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1478505046 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C#CCN(c1nnc(Cc2ccccc2C)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1507633015 CHMRVWOBPNZKGR-NRFANRHFSA-N 471.627 1.966 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1507637467 AZEJGAFMMXUTRW-SFHVURJKSA-N 469.571 1.186 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCOC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1507638460 RAJJXQHKRSOVAS-IPMKNSEASA-N 452.577 1.200 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCCS1(=O)=O 1507661657 CXPCWTSHBLDUTA-UHFFFAOYSA-N 487.582 1.469 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nc(C(F)(F)F)cs2)CC1 1507722437 XARYFIBKDVYGGH-LBPRGKRZSA-N 477.538 1.167 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1507731993 AKJSAXNXRMWXCV-BGYRXZFFSA-N 499.660 1.368 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1507738358 OBEYLNAEKLONRD-NVXWUHKLSA-N 481.523 1.079 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CO)c1 1507772397 JZHBOSYZSZNWNC-SIKLNZKXSA-N 459.572 1.144 30 10 JDEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507834386 AOQOAPWYMDUJDS-CQSZACIVSA-N 465.341 1.887 30 10 JDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507925987 NPDSEDZMMBNIBR-HBFSDRIKSA-N 481.667 1.233 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1507980491 HEUYBDMSAJGEAS-ZJPYXAASSA-N 481.619 1.827 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(c2ccccn2)CC1 1508093566 IWTWENLJCLUFDC-UHFFFAOYSA-N 463.542 1.890 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1508190192 ZELHELQPPIHDQP-MLSMKVKPSA-N 463.542 1.776 30 10 JDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@@H](SC)C1 1517625444 FFVUAVPFTXLRFB-GOSISDBHSA-N 464.617 2.000 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1539206495 QESUBGVGKPKDGA-PGRDOPGGSA-N 462.572 1.368 30 10 JDEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1539220078 PJKFHQCTVJGLEX-VQIMIIECSA-N 460.556 1.842 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1539222848 XKIKFFSVOIOAFI-LZFQIVBZSA-N 492.001 1.417 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1539407645 JRBYDJWWICAHDC-OALUTQOASA-N 452.538 1.772 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](COC)OC)CC1 1539463120 UEWXNNWUHVYILB-CEXWTWQISA-N 462.595 1.465 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCOC[C@@H]2OC)CC1 1539490007 QLUGFZYPSGCVRN-OFNKIYASSA-N 497.596 1.883 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1539499291 HIIDZQMQZKYUFA-GOSISDBHSA-N 492.648 1.342 30 10 JDEE N#Cc1c(F)cccc1N1CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 1540543870 DYHQRXVTSLVUSB-IBGZPJMESA-N 455.465 1.088 30 10 JDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1540864348 XIZPWLQFYLWAOF-RTBURBONSA-N 465.558 1.595 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1540879622 JYIZEODSVHNDQL-UHFFFAOYSA-N 497.600 1.203 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cccs2)CC1 1540907297 RHISSVMJAAVBDS-UHFFFAOYSA-N 478.644 1.385 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1540907405 VQXHJOMYGCDITH-IBGZPJMESA-N 477.562 1.718 30 10 JDEE CN1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CC1(C)C 1554362933 AKCUUCALOSBRQY-NRFANRHFSA-N 485.658 1.856 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCOC)Cc1ccc2c(c1)OCO2 1587856072 GMMDPIQCONCCIH-GOSISDBHSA-N 460.556 1.975 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1588034841 MIKUCSUOXYHUQZ-ZUQCGGBESA-N 491.595 1.781 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCCOCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588050271 QFHCTPFMOUYVAO-OAQYLSRUSA-N 473.599 1.800 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1COC)[C@H]1CCS(=O)(=O)C1 1588055498 WOFLAXJMFVAVNH-RBUKOAKNSA-N 457.556 1.051 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1588069877 UNOZHUKWCFNKKX-FGTMMUONSA-N 478.546 1.163 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCOCC1 1588473505 NZBOIELIFPZTME-SFHVURJKSA-N 492.621 1.778 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCC[C@@H]2C)CC1 1588929959 JZCHZIVHCLSDLI-FPOVZHCZSA-N 490.674 1.411 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC2)CC1 1594497865 NPHLQBVPPBQCFW-LJQANCHMSA-N 466.652 1.888 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1595772563 CJKJUWRXDIGIDY-GOSISDBHSA-N 452.544 1.888 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@H](C)C1 1595804947 IXBPCFNJSCPCPA-QZTJIDSGSA-N 499.634 1.803 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1595831520 REFXSDLQPLDEDC-KZNAEPCWSA-N 480.635 1.354 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)N(CC)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1595831820 WWDNKRQFXYXVIQ-CNNODRBYSA-N 469.652 1.838 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cc(F)ccc1N1CCOCC1 1609506680 FVXOWRLVAAMVHK-GOSISDBHSA-N 457.510 1.169 30 10 JDEE CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2c(=O)c(C#N)c(C)n(C3CC3)c2=O)cc1 1614827093 DKJUZHSLDSUECF-UHFFFAOYSA-N 459.528 1.194 30 10 JDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@H](O)C2)CCN1S(C)(=O)=O 1620313721 BSPLLCUUYLEOKZ-QRFRQXIXSA-N 458.588 1.838 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C(F)(F)F)ccc2Br)CC1 1632966327 LMHIMJCOHXYJPR-UHFFFAOYSA-N 454.268 1.693 30 10 JDEE C#CC[C@@H](COC)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 1673018920 XEZBPVUIXMGIST-KRWDZBQOSA-N 452.577 1.714 30 10 JDEE CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 1686341045 BROVWWMBWSCWEU-UEKCHLGVSA-N 454.556 1.391 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1cc([C@@H]2CCOC2)cn1 1689950812 BXIVWNRJMWKIEH-GOSISDBHSA-N 454.556 1.819 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN(CC)S(C)(=O)=O 1689951033 KCVNSGOAQLDYOO-UHFFFAOYSA-N 453.590 1.090 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2OC)CC1 1689966715 ZWMDXICKBHBHRW-IBGZPJMESA-N 459.572 1.421 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1689981789 BEUQLXDOSZJWLS-IBGZPJMESA-N 471.583 1.639 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccc(F)cc1 1690047345 OJYSXMFPZYSYFY-REWPJTCUSA-N 489.573 1.121 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690049893 LROVINMDFYQFOJ-UNMCSNQZSA-N 466.611 1.931 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccccc2)C2CC2)CC1 1690112370 WKCCTCKGDXGJSF-WIYYLYMNSA-N 456.616 1.837 30 10 JDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1690128741 JFSVZWWWSYLKHB-UHFFFAOYSA-N 471.491 1.940 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCc2noc(CC)n2)CC1 1690133792 UHWTVXQFAAZPOB-UHFFFAOYSA-N 451.531 1.809 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)c2ccccn2)CC1 1690134686 BJLCTTUPUNWCSC-UHFFFAOYSA-N 463.586 1.853 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC2(C(=O)NCC)CCC2)CC1 1690150383 FWVDFHISIMPQKZ-UHFFFAOYSA-N 483.642 1.906 30 10 JDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690327757 XHOZKEBVLBCKGM-YJBOKZPZSA-N 472.981 1.667 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nccs1)C1CC1 1690545441 RGPWNXIBWSBLEU-MRXNPFEDSA-N 452.606 1.855 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1690661894 KIGLLKAVQGLYGO-TZMCWYRMSA-N 453.341 1.578 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1690667797 IMYMLJYWROITEH-UHFFFAOYSA-N 455.469 1.816 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1690722685 RTAMTLFDQPPBHI-IBGZPJMESA-N 468.587 1.836 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCn1cc(CO)nn1 1705595999 ODYPPIMCLDJHRR-UHFFFAOYSA-N 457.498 1.231 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(=O)NC)CC1 1705792262 PYYZTMXXILKUED-GOSISDBHSA-N 482.651 1.566 30 10 JDEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N1CCOCC1 1705878516 RGVBEAVUNQGQHM-UHFFFAOYSA-N 465.514 1.612 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCO1 1705879766 KXOPKUDTEGLZGB-PMACEKPBSA-N 477.587 1.784 30 10 JDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705947873 AESRSQZLSUAFTP-UHFFFAOYSA-N 481.630 1.879 30 10 JDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1706632661 FGSFNAJBOXYTFX-UHFFFAOYSA-N 478.601 1.476 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1722358663 DYDYEMUJJUTWGZ-PGRDOPGGSA-N 460.556 1.386 30 10 JDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCc1ccc(S(C)(=O)=O)cc1 1722401469 ZALSLXHHYGOKGE-UHFFFAOYSA-N 453.568 1.510 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(OC)CCOC1 1722417519 KIJDXNRXFDSJGD-HRAATJIYSA-N 465.551 1.473 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)N1CCOCC1 1722429709 VNGNTLBVHXVTLJ-RBUKOAKNSA-N 493.655 1.401 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1722440509 JXIBGXQGNZCQNI-IBGZPJMESA-N 459.595 1.317 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc([C@H]2CCOC2)cn1 1722517315 JJQVZWQMYIWMIW-ICSRJNTNSA-N 493.634 1.414 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1722523479 VMLSAXSCSRVUNT-IRXDYDNUSA-N 484.623 1.538 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cccc(F)c2[C@H]1C 1722692089 WMIDPCWOJUCXMX-UONOGXRCSA-N 450.540 1.453 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1722697982 ARKSVMXASXRIEG-HSALFYBXSA-N 478.663 1.573 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1722698759 LVBBATQTWFVNEV-PXNSSMCTSA-N 468.558 1.786 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN(C)C(C)C)c1 1740564761 WULOCLJRQPVXFD-FQEVSTJZSA-N 486.642 1.967 30 10 JDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN(C(C)=O)C1 1740610653 HVJPZAUYYNRQHJ-RTBURBONSA-N 460.579 1.914 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1740615415 DJAJQYJZEWLBOJ-BRWVUGGUSA-N 460.535 1.690 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(C(N)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1740620039 SPWMFRZEVYWETP-GOSISDBHSA-N 484.969 1.767 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(Cl)cc1F)[C@@H]1CCS(=O)(=O)C1 1740622978 LYLWWINYDXGAEG-WBVHZDCISA-N 465.938 1.697 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1740626411 UQCBXYKXDOIHKK-HXUWFJFHSA-N 481.578 1.956 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC(=O)NCCc2ccccc2)CC1 1740704526 RRYXAIMCSGTDSQ-UHFFFAOYSA-N 471.565 1.665 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN2CCCC2)CC1 1740710046 PHVOGQYGQKMCKR-SFTDATJTSA-N 458.607 1.454 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2ccsc2)CC1 1740876701 LGCKWIKIPLITEV-IBGZPJMESA-N 480.660 1.961 30 10 JDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC(=O)N(CCOC)C1 1740900426 QHQYKHRPGLBWGJ-ROUUACIJSA-N 478.594 1.704 30 10 JDEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNS(=O)(=O)CC)C1CC1 1740910040 GVJDIZYPCCPWIU-QGZVFWFLSA-N 484.623 1.681 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1740958016 HACHRNDBMCCXKW-IRXDYDNUSA-N 489.374 1.872 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1740986249 UKELQZBMVGBVIK-JKSUJKDBSA-N 484.623 1.367 30 10 JDEE CC(C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)N1CCOCC1 1741259479 ANFWQFQVPBQVJM-UHFFFAOYSA-N 474.587 1.074 30 10 JDEE CCOc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1CCS(=O)(=O)N(C)C 1746879144 ANZFPKZXXVPYBK-UHFFFAOYSA-N 462.576 1.887 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(C(=O)NCC)c1)[C@@H]1CCS(=O)(=O)C1 1748816955 BMAHKHZPMMBMSA-WOJBJXKFSA-N 471.583 1.207 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](OC)C(F)(F)F 1748929088 CNHNGTQEQOEPPE-KGLIPLIRSA-N 453.487 1.038 30 10 JDEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@@H](C)COC)CC1 1748994836 TXMXTZLDHBSOBA-HSZRJFAPSA-N 465.646 1.681 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@]2(O)CCc3ccccc32)CC1 1749005279 UQTFXXFBROUSQQ-AFMDSPMNSA-N 481.597 1.802 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(O)CCO[C@H]2C)CC1 1749016758 NFEILSKDCJERTC-BVZFJXPGSA-N 467.570 1.383 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cs2)CC1 1749039256 RLTDGNRUTXOKBW-INIZCTEOSA-N 466.658 1.638 30 10 JDEE C#CCSCCn1c(N2CCN(C(=O)c3ccco3)CC2)nnc1[C@]1(OCC)CCOC1 1749048109 IUVDWBXSCCXMQT-QFIPXVFZSA-N 459.572 1.852 30 10 JDEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1749175185 RNBMJNBSZMKWPQ-UHFFFAOYSA-N 450.385 1.832 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC(=O)N1CCOCC1 1749650893 JBAVFPQFVXRBCJ-MRXNPFEDSA-N 460.510 1.154 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1749671695 GTLQGAGUKRZWTJ-OAQYLSRUSA-N 465.602 1.706 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(=O)NCC(F)(F)F)C1 1749713257 QRMTXLCOOMXYII-QGZVFWFLSA-N 494.522 1.912 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCCN(C(=O)C2CC2)CC1 1749737167 YNULBIPARFVHOK-UHFFFAOYSA-N 487.626 1.927 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccccc2F)C1 1749738713 VSVKLXARQFMKJD-IBGZPJMESA-N 477.562 1.718 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CCC2)CCO1 1750013002 FHDPKAGBWPUQLU-GTJUCTONSA-N 456.572 1.459 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(OC(F)F)cc1 1751217728 HGSGECOFJJGWGD-KPZWWZAWSA-N 458.466 1.980 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(N2CCCCC2)nc1 1751217989 HXFBQXGAIYHENY-HRAATJIYSA-N 476.582 1.764 30 10 JDEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760145413 ONWSNYDXMFMCBR-HXUWFJFHSA-N 484.576 1.951 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)nc(N2CCCC2)c1 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C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H]1CCCCO1 1760523963 MAVFXCJYZRPPJJ-IBGZPJMESA-N 454.579 1.760 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC=CO2)C1 1760542238 FDEPCZPEFNMLTD-KZNAEPCWSA-N 453.565 1.085 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1760547056 CMTLBWRNOKYVSP-UHFFFAOYSA-N 474.587 1.111 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@@H](C)C1 1760554451 DUQUBJZOCXJGJL-BZSNNMDCSA-N 499.634 1.801 30 10 JDEE CS(=O)(=O)NCCn1c(-c2ccccc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1771367878 ANTSDEKXLWAURF-UHFFFAOYSA-N 452.544 1.088 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)ON3C(=O)c4ccccc4C3=O)C2)C1 1772793683 RUDDUZHYTXUFRZ-ABTIHDLSSA-N 478.523 1.992 30 10 JDEE CS(=O)(=O)CC[C@H](C(=O)N1CC(Oc2ccc(C#N)cc2)C1)N1C(=O)c2ccccc2C1=O 1869923845 PLTYWEZGAHSYFW-HXUWFJFHSA-N 467.503 1.247 30 10 JDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cccn(CC(F)F)c3=O)CC2)CC1 1890059230 YHHMTCMSFRNZFP-UHFFFAOYSA-N 450.530 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C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2ccsc2)CC1 1286494511 UWFJQSUNEZJQJL-JTSKRJEESA-N 491.639 1.115 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1286553509 FGLWZZWNWRWZIY-MLHJIOFPSA-N 474.649 1.421 30 10 JDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286610089 WWDAGCLGOHLKND-UHFFFAOYSA-N 453.591 1.601 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1286788591 ZFOWVVWRVSJANJ-UXHICEINSA-N 488.614 1.216 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCCN(CC)C(=O)C1 1286815355 SHDAJAIHRKZZTL-UHFFFAOYSA-N 499.435 1.706 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)OC)CC1 1286815598 XMOHRCAMLFGQEE-UHFFFAOYSA-N 479.559 1.452 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1286818798 OPITUISKDXRBRQ-UHFFFAOYSA-N 458.592 1.320 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286822455 KOJXNYZIIOEOQA-IBGZPJMESA-N 465.620 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460.586 1.964 30 10 JDEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](C(N)=O)C1 1705653354 FXLDCHYABKUUJC-MRXNPFEDSA-N 475.644 1.615 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1705662361 XDHJMWWSWLVLRU-XHSDSOJGSA-N 477.603 1.705 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)CC1 1705693722 JXPIIKZRHPKKMG-ICSRJNTNSA-N 455.563 1.675 30 10 JDEE C=C(C)Cn1c(CCc2ccccc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1705727925 JIJVKHNCHDCCFB-UHFFFAOYSA-N 450.547 1.106 30 10 JDEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705827935 VYEANUYAOIMFMG-UHFFFAOYSA-N 452.559 1.809 30 10 JDEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1705848383 ITLZHFVVAHCYQY-GOSISDBHSA-N 471.377 1.791 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1705926230 ZTLZVPVNZRNKLV-ZCNNSNEGSA-N 467.636 1.318 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1705933003 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C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1722698915 PCGRDDZXXISAIX-GOSISDBHSA-N 470.549 1.966 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722749131 DLVQNASNVNPETM-OAQYLSRUSA-N 476.559 1.262 30 10 JDEE COc1ccncc1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1730339116 DAUBALDPGMPIBK-SFHVURJKSA-N 483.554 1.376 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1740619213 GPESXFMHUMGXBS-PKOBYXMFSA-N 473.599 1.885 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1740619796 LDXWVRPHRKIGAB-FDDCHVKYSA-N 474.583 1.750 30 10 JDEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)C)[C@H]1CCS(=O)(=O)C1 1740625670 HJOQKXIDZQUNAO-IBGZPJMESA-N 457.604 1.735 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1740708061 ANXTUXVQIQBQDP-IBVKSMDESA-N 465.598 1.959 30 10 JDEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1740715682 LUBLQYTWDNRNRL-WIYYLYMNSA-N 468.631 1.480 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1740717384 RAKYHGFJBKJUIW-NHCUHLMSSA-N 489.667 1.402 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1740961374 UWEXEUWVYYXKRR-NRFANRHFSA-N 465.602 1.222 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cccs2)CC1 1740963444 LBSLSBFLDQFDPR-UHFFFAOYSA-N 471.612 1.960 30 10 JDEE C=CCNC(=O)Cn1c(N2C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1740964709 GZQGSIFUHZNUIS-QQMNAOGKSA-N 478.594 1.582 30 10 JDEE Cc1ccc(S(=O)(=O)NCCn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)CC#N)s1 1742291016 IFLBMWFBOCLCMD-AWEZNQCLSA-N 465.605 1.601 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nc2c(s1)CCCC2 1748790723 LAEQNCOMIIZPMI-QGZVFWFLSA-N 478.644 1.649 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748808446 BZPBQFLQPNSEAV-QGZVFWFLSA-N 487.582 1.605 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CC[C@@H](C(F)F)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748810238 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C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cn2)CC1 1749213444 KKQWOGCNHCSIOO-INIZCTEOSA-N 467.571 1.342 30 10 JDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1749425181 XRDBZIXBLMQKLV-UHFFFAOYSA-N 495.675 1.970 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCCC1(C)C 1749600122 QSSUYKBTWRMZBO-DLBZAZTESA-N 457.597 1.065 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(N(C)C(C)=O)CC2)cc1 1749683115 JIXMFHNVGSTLHJ-QGZVFWFLSA-N 490.630 1.949 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCNC(=O)C(C)C 1750965963 DZVOPQFYTDYMPB-UHFFFAOYSA-N 470.553 1.526 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760179165 NVCQPVZKLLHENV-SJORKVTESA-N 494.618 1.054 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1760184262 IFBJSFAJDUKFOH-GOSISDBHSA-N 454.556 1.140 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1760198856 KDUCYBFGBMEFJT-PMACEKPBSA-N 459.558 1.493 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(OC)c(OC)c2OC)CC1 1760259727 PFQQFGRRJAWHLK-LJQANCHMSA-N 455.559 1.806 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCNS(=O)(=O)CC)CC1 1760270498 YJDAIRBEXBFGOE-UHFFFAOYSA-N 450.609 1.231 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2nncn2C)CC1 1760270818 BJAQNGFCYRTHHK-UHFFFAOYSA-N 452.494 1.139 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CCC 1760294930 JVYDJONLIGEQNK-SXWKCWPCSA-N 478.663 1.868 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(COC)c2)CC1 1760389754 SLQSINLQBHDVSZ-HXUWFJFHSA-N 461.588 1.962 30 10 JDEE C=CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1760513671 VVHLDYPPBHOHQA-HZPDHXFCSA-N 462.551 1.337 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(-n3ccnc3C)nc2)C1 1760535044 KQVQSOPSEKPUET-LPHOPBHVSA-N 486.602 1.607 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCCS2)C1 1760542685 JHHLLLHSGFVNTN-SQNIBIBYSA-N 471.649 1.678 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCC(=O)NC)C1 1760545430 UIAGERKDZCGCHR-MRXNPFEDSA-N 451.531 1.592 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCS(=O)(=O)c1ccccc1 1761481595 AIFSOMNOYTYIIN-DNVCBOLYSA-N 484.579 1.194 30 10 JDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1764684521 HKSTVGRQJZOYLF-UHFFFAOYSA-N 478.601 1.430 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCOC4(CCOCC4)C3)n2CC(=O)NCC(F)(F)F)cc1 1771533941 GUEMCBTWEHSOBL-UHFFFAOYSA-N 494.474 1.793 30 10 JDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C(=O)O)cc1 1862608897 YQDJOEFGPPDLDI-HXUWFJFHSA-N 466.446 1.870 30 10 JDEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CN(CCO)Cc1ccccc1 1870541759 IFRCYRZLKVRPNG-JOCHJYFZSA-N 455.555 1.703 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CO1 2255752608 KMWABHGWYQTPRU-AWEZNQCLSA-N 454.354 1.815 30 10 JDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2255940764 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N#Cc1cccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CC(=O)N2CCOCC2)c1 85651812 NIRJJTOGQIHHCX-UHFFFAOYSA-N 458.521 1.594 30 10 JDEE C=CCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2cc3c(cc2OCCOC)OCO3)c1=O 522381998 HIQIWWKDKNVURM-UHFFFAOYSA-N 470.547 1.968 30 10 JDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(N3CCN(C[C@@H]4CCCO4)CC3)nn2)CC1 585475107 SESBJKUZNJJCPQ-NRFANRHFSA-N 497.625 1.160 30 10 JDEE COc1ccc(OC)c(/C=C/C(=O)[C@H]2C[C@H](NC(=O)CNC(=O)c3ccccc3)CCN2)c1 585827914 KOOWMKYQQCQNEY-GRPDDSCNSA-N 451.523 1.953 30 10 JDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(C)(C)CN(C)C 729672523 RXEYXOFOYRTHHT-UHFFFAOYSA-N 451.596 1.873 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(CNC(=O)OCC)cc3)cc2C1=O 916174892 PSEARORKEXAKKL-UHFFFAOYSA-N 471.491 1.833 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1286380350 BTLYHHRXNPKENR-UIFIKXQLSA-N 454.593 1.106 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCOc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1286382956 UKSCJLXJAOQDEA-SFHVURJKSA-N 498.540 1.770 30 10 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30 10 JDEE CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1286885028 ZFPUPIHVVONSJB-FCQUAONHSA-N 479.541 1.360 30 10 JDEE CC(C)CN1CCO[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)C1 1287787044 AFWCEMFNGJZZMV-IRLDBZIGSA-N 481.601 1.787 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1300479541 OVEDBQFQYAOSLB-CVEARBPZSA-N 462.601 1.401 30 10 JDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1300482207 DIWROWHRRIUYBI-WBVHZDCISA-N 467.979 1.726 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCCOc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1300493034 QEVKYVVICIJUNU-UYAOXDASSA-N 489.573 1.854 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1300493227 SSKDQTWKQRPUMU-UXHICEINSA-N 470.599 1.165 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1300500951 GDZANNYDAFLDPM-IBGZPJMESA-N 453.572 1.257 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(F)(F)F)cc1 1300538595 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C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1508106842 ZPRBFEIUEAGDKL-ROUUACIJSA-N 459.572 1.856 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1508143642 IYTZSWFFYWBWQG-FQEVSTJZSA-N 460.604 1.023 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCO[C@H]1C 1509687396 DDXNKGSSGGGKTN-UUOWRZLLSA-N 467.574 1.150 30 10 JDEE Cc1cc(C)cc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)c1 1510574933 AJENURJGFWLHOU-SIKLNZKXSA-N 476.578 1.913 30 10 JDEE COCCN(CCC#N)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCN(C)C1 1519163877 FJKJLLUJDPMYKF-XMMPIXPASA-N 491.637 1.826 30 10 JDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1539076641 UHXIOWUSRZCSRB-UHFFFAOYSA-N 469.571 1.707 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCN1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1539200161 AHVIZOFVEXOFHK-IBGZPJMESA-N 476.647 1.263 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1539220302 IBYQTHUOXZMDAQ-GOEBONIOSA-N 451.574 1.060 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1539225873 ROQDIKNXKUYJBM-XLIONFOSSA-N 451.618 1.812 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC(=O)NCc2ccccc2)CC1 1539431570 VQLVRDHBKKBTNU-AREMUKBSSA-N 480.613 1.780 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCNC(=O)C2CC2)CC1 1539434603 PGUFZRJPIHXINH-UHFFFAOYSA-N 460.380 1.328 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2CC(=O)NCC=C)CC1 1539473805 BOXMNSXJGBGYAM-UHFFFAOYSA-N 457.538 1.761 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1539484450 PNZPSXXOCRSTEI-HXUWFJFHSA-N 469.611 1.464 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1539499292 HIIDZQMQZKYUFA-SFHVURJKSA-N 492.648 1.342 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCc2cccs2)CC1 1539517110 IQKIHYLXBADPDC-SFHVURJKSA-N 479.697 1.973 30 10 JDEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1539592531 FWXVKRBUHBMTFY-OAHLLOKOSA-N 485.408 1.813 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1539966943 NIWIBNQFBMLPMD-FHWLQOOXSA-N 453.609 1.973 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(CC(F)(F)F)C1 1540074259 XFTFRMYFXAEFDL-GJZGRUSLSA-N 466.530 1.117 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1540853282 VYHHUZMVFWKCMS-CBGDNZLLSA-N 456.609 1.385 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1540854764 BZGUVKMLBFVDED-UHFFFAOYSA-N 489.646 1.372 30 10 JDEE C=CCn1c(N2CCC(CNC(=O)c3cnn(C)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540861032 YXKLUJGAPZSGCE-QHCPKHFHSA-N 457.579 1.885 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1540874512 IYQYNNZGPYXEKJ-UHFFFAOYSA-N 495.613 1.305 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)[C@H](C)C1 1540876023 FQBIDSWGJTWOIZ-MOPGFXCFSA-N 491.637 1.809 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)N2CCOCC2)C1 1540883279 WYHLMQGREXRCSF-SFHVURJKSA-N 455.563 1.818 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2ccc(Cl)nc2C1 1540897289 GBHCBEQULGZEHM-UHFFFAOYSA-N 452.968 1.628 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1540905924 XGMNJEBPCXUPEQ-GOSISDBHSA-N 493.605 1.853 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1540917083 NDVAHAQOJCFSDX-KRWDZBQOSA-N 491.639 1.767 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCc1cccnc1 1541947252 IFHPHTCJDZAWRA-UTKZUKDTSA-N 481.582 1.976 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@H]2CCC[C@H](O)C2)cc1 1555990464 DLFMIZGAFIZIBR-OALUTQOASA-N 468.558 1.751 30 10 JDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1587719147 UPNHMWCXPDEYII-QHCPKHFHSA-N 470.599 1.858 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CC1 1587989433 JOCZJHGTSQBING-HNNXBMFYSA-N 453.565 1.233 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O)[C@@H]1CCS(=O)(=O)C1 1588029424 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30 10 JDEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1689921046 RWQUXUBWLCOGKO-AWEZNQCLSA-N 475.322 1.407 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(n1)CCCC2)[C@@H]1CCS(=O)(=O)C1 1689978220 PCOIJWAWCPBOTC-LJQANCHMSA-N 470.599 1.365 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689995802 AGSVINVSQKPIBA-GHTZIAJQSA-N 473.647 1.498 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1689997298 ZQNXSFASIHLDRX-OALUTQOASA-N 474.583 1.919 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCCCC2)CC1 1690136768 JJPBFRVHMXVRTA-UHFFFAOYSA-N 478.601 1.767 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1690150737 SLTROYHKPATWHI-UHFFFAOYSA-N 490.655 1.545 30 10 JDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690159458 BIJQQKYOHFEBNM-SFHVURJKSA-N 454.556 1.793 30 10 JDEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690230898 URRDFXUHGGOJHK-UHFFFAOYSA-N 488.390 1.444 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCC)CC1 1690312721 BDIYLBKWQNTTMY-SFHVURJKSA-N 453.609 1.516 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(N2CCCCC2=O)CC1 1690725356 NJCWQGJDPABGGC-UHFFFAOYSA-N 472.615 1.846 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1690730180 ZLEUWTJIYIBZCF-OAHLLOKOSA-N 478.541 1.074 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1705561178 NXEVTKGHYAPFDH-JQVVWYNYSA-N 464.588 1.291 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](SC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705567440 WINRSZAAQSCINB-ZACQAIPSSA-N 488.701 1.585 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1705646622 KGJLDIODMOKLDD-XMMPIXPASA-N 488.539 1.579 30 10 JDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705744643 KLVCXYAAGGSMEI-FQEVSTJZSA-N 458.910 1.492 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N(C)CCNS(C)(=O)=O 1705896774 XRINYSBMEFFCOM-UHFFFAOYSA-N 477.410 1.057 30 10 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30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCc1ccco1 1722384788 TYOUCUIDEPMHMB-LJQANCHMSA-N 482.541 1.569 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(N(C)C)nc2)CC1 1722447321 HRXVPGGRZBKBIJ-HXUWFJFHSA-N 451.575 1.995 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722491059 HBCLKAHKYWDEHS-RDGPPVDQSA-N 471.624 1.453 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722604036 SSDUJROLNHSFFZ-IRXDYDNUSA-N 470.596 1.244 30 10 JDEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)C1 1722819167 ARSCJOOWOWRVGV-NRFANRHFSA-N 481.601 1.944 30 10 JDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCC2)CC1 1728355291 DEPLZPPNVSJJJR-UHFFFAOYSA-N 464.618 1.903 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 1740623244 QIBKXZCLXJVBTH-SUMWQHHRSA-N 465.938 1.697 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(S(C)(=O)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1740624717 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C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCOC1 1508033977 RLWTYRPFTZJGGQ-AZUAARDMSA-N 479.603 1.866 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@H](CN2CCOCC2)C1 1508095321 WAORNOSJZVKPLR-GOSISDBHSA-N 458.538 1.457 30 10 JDEE CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC2CC2)cc1OC 1515144337 GPCJEOOTTXMNAE-SFHVURJKSA-N 454.531 1.997 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1snnc1C 1519150972 GXQLHJVCPAXENQ-QGZVFWFLSA-N 452.544 1.962 30 10 JDEE C#CCN(c1nnc(CC)n1CCc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1539220935 XEKAYVDWZRPIQC-KRWDZBQOSA-N 450.586 1.113 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539271506 DQSCYLOCBBOSFH-RTWAWAEBSA-N 452.584 1.541 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)cc1C 1539326222 SNTYBGNWBGZSIB-JOCHJYFZSA-N 484.626 1.497 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1539452471 UBQKTBBPVUBEBF-SFHVURJKSA-N 480.635 1.192 30 10 JDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1539517918 TXZUJKSBWZDRPF-OALUTQOASA-N 483.660 1.169 30 10 JDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1539799677 SVFBQVNJKYBSTN-OAHLLOKOSA-N 463.970 1.795 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1NC(=O)CC1(C)C 1540126206 BUEZWZMYXHJCIP-AEFFLSMTSA-N 460.604 1.996 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1540870464 NZZZIVLRGYIMBZ-KRWDZBQOSA-N 455.519 1.709 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)c(C)c2)C1 1540892590 OLMYQLCAXNOPNY-AZUAARDMSA-N 479.578 1.888 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C(C)C)C1 1540901507 GAUFBDCXZXOQLM-KRWDZBQOSA-N 451.549 1.468 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2ncc(F)cn2)CC1 1540903687 FIZVMCWGBKNGSQ-UHFFFAOYSA-N 489.552 1.865 30 10 JDEE C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1557021113 WYWJODDGWITPJF-AQNXPRMDSA-N 459.591 1.478 30 10 JDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)N(C)C 1588245701 ODDUYYQMHCUSCQ-UHFFFAOYSA-N 461.614 1.584 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CCC[C@@H]1NC(=O)NC1=O 1588612506 HJASIZWLACCIJZ-INIZCTEOSA-N 493.337 1.921 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCN(CC)S(C)(=O)=O)CC1 1588930543 YSDFKZUEAMXNEW-UHFFFAOYSA-N 464.636 1.573 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1588954788 LSSIKIHNXDNORX-INIZCTEOSA-N 476.628 1.034 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1593636393 LAPWWYCWYDTBIR-SJORKVTESA-N 484.623 1.633 30 10 JDEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1595329930 BGCDBESZIZNFAO-MRXNPFEDSA-N 499.435 1.863 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](Oc3ncccc3F)C2)nnc1[C@@]1(OCC)CCOC1 1595602214 GULXOCCEPDXSAW-UZUQRXQVSA-N 474.537 1.814 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(CC(=O)NCC)CC2)cc1 1595607245 CAKFMESDPNBZJR-UHFFFAOYSA-N 481.601 1.385 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N[C@@H]3CCCC[C@H]32)cc1 1595608300 QJFKYGOVINMVBX-PWIZWCRZSA-N 488.614 1.749 30 10 JDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1ccco1 1611633503 HDINVRLLKVXRCG-OAHLLOKOSA-N 456.528 1.709 30 10 JDEE COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(N3CCN(S(C)(=O)=O)CC3)C[C@@H]1C)C2=O 1615248569 JNCOPEVLAIERRA-QKVFXAPYSA-N 484.958 1.741 30 10 JDEE CO[C@@]1(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)[C@H](C)CC#N)CCOC1 1619049772 DKRGLMWKGHULRL-IIBYNOLFSA-N 462.576 1.739 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccc(Cl)s2)C1 1620171435 AVQNTJWQCRNAPW-ZFWWWQNUSA-N 487.007 1.297 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1620348655 AZIJHTPQIRDVBD-SFHVURJKSA-N 485.488 1.260 30 10 JDEE C#CC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1)C(=O)OC 1626183756 JVWIKWYENMARBT-SFHVURJKSA-N 458.492 1.943 30 10 JDEE C#CCNC(=O)CN1CCCN(c2ncnc3cc(I)sc23)CC1 1642227388 SIZCOIGRNROYRH-UHFFFAOYSA-N 455.325 1.557 30 10 JDEE C[C@H](NC(=O)[C@H](C)N1CCN([C@H](C#N)c2ccccc2)CC1)c1ccc(S(N)(=O)=O)cc1 1652763783 HKCKWIRCTOXXIB-NPPFBWRTSA-N 455.584 1.782 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@](CO)(NC(=O)OC(C)(C)C)C2)c1 1657234185 ODZNRIVFGJQHTN-OAQYLSRUSA-N 453.561 1.643 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1689984830 WDCOXGVZKOISKU-GOSISDBHSA-N 487.582 1.115 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1689984832 WHRONWSXCDBLME-BJLXPSRBSA-N 462.597 1.492 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(N2CCOCC2)n1)[C@@H]1CCS(=O)(=O)C1 1689992155 ICSSZFLKUOKBRJ-HXUWFJFHSA-N 472.615 1.383 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC(=O)NCC=C)CC1 1690124579 OLFYDLSEEDPMKP-UHFFFAOYSA-N 471.606 1.450 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(COC)c2)CC1 1690146695 UOUZMHRLBLIRGI-NRFANRHFSA-N 485.610 1.341 30 10 JDEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1690307148 QEUOSDICOURFBY-UHFFFAOYSA-N 480.573 1.313 30 10 JDEE C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690336151 VVRSXPDEWKEYMI-GFCCVEGCSA-N 483.729 1.746 30 10 JDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1690417387 PLFYYTDJKWADFO-QYZOEREBSA-N 453.609 1.686 30 10 JDEE C=CCN(CC=C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1690593096 SHXBBVJWNZVLPB-XMMPIXPASA-N 498.609 1.793 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1690686819 UPXARLXZDDIDDO-DOTOQJQBSA-N 483.616 1.121 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1705561533 URSIOVYZGYFAQJ-MOPGFXCFSA-N 473.599 1.798 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1705569209 DQZVSAMUKNYONG-PGRDOPGGSA-N 455.540 1.391 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1705571318 YPOVDHRFYWOHMF-RTWAWAEBSA-N 470.599 1.149 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(NC(C)=O)nc1 1705580490 KGRPTELKWYCABW-UHFFFAOYSA-N 466.505 1.667 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCCS(C)(=O)=O)CC1 1705649161 MRBRJJJQLLIKNQ-UHFFFAOYSA-N 459.572 1.354 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1705649779 DYSHMGFJZALQIR-GYHWCHFESA-N 479.585 1.503 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1705725752 PKOJIYNYKKWCFM-MRXNPFEDSA-N 483.664 1.191 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1705918406 IWIQYOSSWHYGLY-LJQANCHMSA-N 461.526 1.385 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1705934425 MFEKFNCMUQYBQW-YJZNIBPQSA-N 479.628 1.765 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C)CC1 1705936013 HUPDCZQGEXESCM-LJQANCHMSA-N 493.655 1.416 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNS(=O)(=O)CC 1722388229 RPMXYQLOYWJIBF-KRWDZBQOSA-N 464.592 1.362 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@@H]1C(C)C 1722397614 SDAOMHQMAZCWEV-QHAWAJNXSA-N 477.631 1.525 30 10 JDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1722426656 FPRNXSPPCNQHLI-NHCUHLMSSA-N 489.646 1.430 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1722427976 AJPHCBHTVZBMJV-OAHLLOKOSA-N 491.561 1.426 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1722441531 SDKVVZKREGXSDG-UHFFFAOYSA-N 457.600 1.993 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1722451909 PRWINEFGIXLMDN-HOTGVXAUSA-N 486.664 1.748 30 10 JDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(ccnc2O)C1 1722484494 IUAPDEKYPNTGDJ-OAHLLOKOSA-N 499.391 1.183 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cscn2)CC1 1722493473 YUBGLBXVHVXGHY-AOIWGVFYSA-N 495.675 1.648 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1722696497 AHQKBXCZHNXMPV-MRXNPFEDSA-N 478.557 1.205 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1722706075 MJHNAQFKTHPMSA-SFHVURJKSA-N 458.538 1.457 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)CC[C@H]2C1 1722723582 ACMPYAGTDCYZSW-HNNXBMFYSA-N 497.419 1.458 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)OC)CC1 1722730456 SHRAJRSLAPUYFU-UHFFFAOYSA-N 461.588 1.943 30 10 JDEE Cc1ccsc1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1724102344 ACGMBZPKLSYFLE-KRWDZBQOSA-N 464.617 1.964 30 10 JDEE C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1726751351 BYVKOAITOARWSM-RXVVDRJESA-N 488.614 1.463 30 10 JDEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](COC)C2)CC1 1728602022 AFJWARRRSGSWPZ-DENIHFKCSA-N 453.591 1.694 30 10 JDEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1740581819 GWXWKYOWSRGQTG-QGZVFWFLSA-N 454.531 1.940 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1740610769 LBWUCNMMAATHKB-BSRJHKFKSA-N 461.563 1.994 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1740626292 WNXFGLAVUUWSLI-HOIFWPIMSA-N 493.655 1.693 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1740626827 WMZSXPZWIMJURM-GOSISDBHSA-N 461.975 1.451 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1 1740640517 PEIYUQILSFGRDB-IPMKNSEASA-N 459.547 1.199 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1740704636 QIJQZOQBHKUSAV-UHFFFAOYSA-N 493.593 1.347 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1740717620 XHHPKTBACXJCLC-ICSRJNTNSA-N 496.703 1.288 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)COC)CC2)nnc1[C@@]1(OCC)CCOC1 1740766319 HASWXKBGFPVXJY-QMHWCDLVSA-N 463.579 1.206 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCC(F)F 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C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1749730950 WVSZQIWTHFHMPN-UHFFFAOYSA-N 489.524 1.174 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCc2ccccc21 1750075742 HMBVSEUZHLAAJZ-NQIIRXRSSA-N 487.630 1.660 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1760182350 IWQOTEWMGGGRGP-KRWDZBQOSA-N 475.571 1.109 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCSCC2)CCCCC1 1760194629 MQMYJMXSTUNXIU-LJQANCHMSA-N 478.688 1.713 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc(C(F)(F)F)cs1 1760209642 FYPUYWXKHIVPPW-GFCCVEGCSA-N 460.507 1.875 30 10 JDEE C#CCN(CC)c1nnc(CSc2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1 1760238791 KJIMZKFZKPPZDD-UHFFFAOYSA-N 464.613 1.978 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCCC[C@@H]2C)CC1 1760268983 UHKNPLAEBUMXGJ-PZJWPPBQSA-N 469.634 1.850 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(C(F)(F)F)CC1 1760357145 FLRKTDMOAJZACG-AWEZNQCLSA-N 452.499 1.667 30 10 JDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1760373503 UOGVBEDJHHSNMQ-AWEZNQCLSA-N 471.967 1.788 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](C)(C(N)=O)C1 1760524353 VZVREAVVLRGPDV-WAIKUNEKSA-N 475.594 1.397 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1760553594 FOVGSQMQGUSCSN-DCGLDWPTSA-N 462.403 1.850 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1760556123 VNOMIXPXRBJEEH-SFHVURJKSA-N 491.589 1.921 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](N3CCCC3=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760558364 NASGBFJVEAQVTD-WMZHIEFXSA-N 495.646 1.511 30 10 JDEE COc1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)cc1F 1768611055 CYAFGUQVBOPNIN-HXUWFJFHSA-N 492.577 1.741 30 10 JDEE CC[C@@H](NC(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1)C(=O)Nc1cccc(C#N)c1 1866655216 KDRMMNDYLYAJQA-VQTJNVASSA-N 489.575 1.666 30 10 JDEE C=CCN(CC=C)c1nc(NC(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n(C)n1 1870008828 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C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1286671999 DTEGOQHNZLBGML-PMACEKPBSA-N 496.678 1.372 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286699634 GAAGXCZBRGNBHL-RBUKOAKNSA-N 495.650 1.159 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1286776320 SCLXFJDSCBTVTM-HKUYNNGSSA-N 474.587 1.286 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1286790828 QETWDBVHWAJEJR-GOSISDBHSA-N 472.594 1.793 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](CN2CCOCC2)C1 1286793804 MJYQVMYTJXQMLZ-SFHLNBCPSA-N 460.623 1.657 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCO1 1298285284 FBMUGOUDALJMBX-UGKGYDQZSA-N 474.587 1.688 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(S(C)(=O)=O)CC1 1300317761 URNYPLNXPVOKRM-HXUWFJFHSA-N 470.643 1.678 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1300489843 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C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1507831665 CNRYXEVKZIVDCW-KRWDZBQOSA-N 450.521 1.732 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@@H](C)C1 1508129255 AZFLYLLUUIHMRI-HOTGVXAUSA-N 483.616 1.277 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1508148493 ILOYHOFDGINNQM-AZUAARDMSA-N 493.605 1.754 30 10 JDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1517624945 GCYVBWCVUDPSBJ-WFASDCNBSA-N 458.466 1.522 30 10 JDEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1539058499 FWKOXMDVJNZHOM-UHFFFAOYSA-N 473.541 1.087 30 10 JDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C)[C@@H]1CCS(=O)(=O)C1 1539203104 NPMRIJFOYWGSRR-OTWHNJEPSA-N 477.610 1.374 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1539207074 ZEUFJQXHTQWBGW-SIKLNZKXSA-N 476.603 1.221 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(N(C)C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1539215476 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C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCCC2=O)CC1 1540917287 RIVWHOYUYJPKIX-SFHVURJKSA-N 498.675 1.121 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1587860798 BEJMHMNUQFYFIP-HXUWFJFHSA-N 455.584 1.864 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1588028799 ACCDOETVPLXKJZ-PRCFCKQXSA-N 489.573 1.662 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1588034792 LXZFULDMAXLMDQ-FDDCHVKYSA-N 476.599 1.996 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCN1CCN(C(C)=O)CC1 1588550377 OZNCWDUIDBLBBU-NRFANRHFSA-N 454.550 1.725 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOC2CCCCCC2)CC1 1588741825 IJNQLHOJJQNWMI-SFHVURJKSA-N 452.625 1.383 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OCC)cc2)CC1 1588961600 FVPGCTMMKPECHA-UHFFFAOYSA-N 464.570 1.813 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(C)(=O)=O)CC1 1589403685 BHILMTIVWMBWKL-GFCCVEGCSA-N 467.411 1.102 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1589545286 MWIASYNLVXEYHT-YRPNKDGESA-N 479.647 1.855 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1594628113 YYCRPDBUGYUWKR-IAGOWNOFSA-N 464.592 1.303 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1595405821 ZPTDITBKZVTUPJ-IAGOWNOFSA-N 484.623 1.490 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1595593416 DFDAKZSJTAXOHN-FQEVSTJZSA-N 485.520 1.065 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](n3cncn3)C2)cc1 1595608511 SPHCQDRCTGXTSO-IEBWSBKVSA-N 486.602 1.934 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1595682326 ZYYVHUQFJAFMLP-RDTXWAMCSA-N 486.392 1.367 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@]1(O)CCCC1(C)C 1608563068 HFSVQYQYMZMJFU-XMMPIXPASA-N 466.590 1.951 30 10 JDEE Cc1ccc(S(=O)(=O)n2ccc(C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)c2)cc1 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1689853050 OHLJNTNMSZOPJJ-KXBFYZLASA-N 465.551 1.459 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCCS2(=O)=O)c1 1689868589 LLFMQQAFBFVBCR-LJQANCHMSA-N 486.598 1.440 30 10 JDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1689934503 YIZHYFNOYXMFLQ-QHCPKHFHSA-N 451.619 1.909 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccn(-c2ccc(F)cc2)n1 1689965933 HFDOYTJEIWSKSO-HXUWFJFHSA-N 487.561 1.248 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1CCN(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1689982029 GOOUKEBCYMRKLK-XUZZJYLKSA-N 493.674 1.679 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1689996207 FBAPFJYKRXRQSV-SJORKVTESA-N 450.536 1.905 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689997284 ZKEKGINLNSWCPO-IAGOWNOFSA-N 469.608 1.697 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCOCC2(C)C)CC1 1690113381 HYNRXVLCPUAYGJ-XMMPIXPASA-N 460.623 1.185 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1690142019 GKVXSXQQEKTPAA-UHFFFAOYSA-N 480.617 1.590 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(O)CCOCC2)CC1 1690148414 GAIBXUCYIVYDCL-UHFFFAOYSA-N 455.534 1.515 30 10 JDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCCC[C@H]2C1 1690229496 XNNXWPVLGGATKR-JKSUJKDBSA-N 489.440 1.194 30 10 JDEE C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690319079 CCDHWYIHFIRUHX-UHFFFAOYSA-N 496.612 1.994 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccc(F)cc1 1690528017 WLAGWHGIKFVLME-YJBOKZPZSA-N 453.540 1.840 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1690669758 OHCOLJKARRCUND-IBGZPJMESA-N 466.590 1.669 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1690729881 UWRQPTOEGYPNTH-QHCPKHFHSA-N 488.589 1.978 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1696676085 HRMPWPYBWFCLKH-FQEVSTJZSA-N 474.587 1.546 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705559957 CGERNFNKQPVWGW-HNNXBMFYSA-N 485.488 1.259 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1705561198 OFUHZEXPOKXOFT-CQSZACIVSA-N 483.392 1.187 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1705562308 ZRQONXJEMSYEIC-OALUTQOASA-N 493.655 1.375 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1705562862 LUJTYKLXSATCDV-IEBWSBKVSA-N 472.567 1.934 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705563340 VOFMDNTZIVIGOD-FPOVZHCZSA-N 487.626 1.549 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705565269 GDWQETQZKLRRQN-SJLPKXTDSA-N 456.572 1.190 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(C)(C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705566597 OPEFFCNFWSZKCF-RTBURBONSA-N 465.620 1.257 30 10 JDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1705574062 TYEVGTBNKYSOCD-JKSUJKDBSA-N 452.581 1.264 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@H]2NC(=O)CC2(C)C)n1 1705631446 FSVJFRSBEKIRNH-HXUWFJFHSA-N 464.574 1.681 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(F)cc(OC)c2)CC1 1705648172 PLDPHMBHJXSRLB-SFHVURJKSA-N 489.573 1.342 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCc2c1cnn2C 1705651703 FZKGSGUPNSMULM-HOCLYGCPSA-N 451.622 1.502 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1705693932 MFYGTRVOXOOYNH-UNMCSNQZSA-N 487.649 1.486 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(C)on2)CC1 1705697776 NRNUPOQLKJWQJJ-BJLQDIEVSA-N 493.634 1.488 30 10 JDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(S(N)(=O)=O)cc1)C1CC1 1705855254 ZEONYRXWNLVRHE-MRXNPFEDSA-N 465.601 1.225 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1705895954 XWRASQGZOLLIPQ-CQSZACIVSA-N 477.323 1.607 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1705896226 GAUHMECOOYNNPG-LPHOPBHVSA-N 455.519 1.312 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2cccnn2)CC1 1705897894 WFKGFIBTAVBFJM-QGZVFWFLSA-N 466.521 1.976 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)c2ccco2)CC1 1705905106 JZDHPWOEFVVKCD-UHFFFAOYSA-N 452.490 1.866 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(C)=O)C[C@H]1C 1705931413 PDSJXGAJQDWNCA-CYBMUJFWSA-N 485.408 1.694 30 10 JDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1710980440 FHSCWHKIYIECDY-UHFFFAOYSA-N 461.574 1.741 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1722324280 OJDAOLZFYZPYGI-INIZCTEOSA-N 462.576 1.474 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(C(C)(C)O)c1)[C@@H]1CCS(=O)(=O)C1 1722360441 HRDRSLYONKQCDR-LJQANCHMSA-N 466.567 1.638 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCC2)nc1 1722428664 IKOJNMMZGFXZEG-IBGZPJMESA-N 458.588 1.310 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1722696093 ATJURFFIIWUEPW-WIYYLYMNSA-N 466.590 1.021 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1722701543 TYBWGLVGWSWWQA-UHFFFAOYSA-N 464.574 1.434 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2OC)C1 1722719245 RWPVWFXCHVJBHS-AZUAARDMSA-N 477.587 1.449 30 10 JDEE C=CCSCCn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722740659 YGZQATKAZGWVAE-IXDOHACOSA-N 480.635 1.919 30 10 JDEE CCNC(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)COC)CC2)CCC1 1728655149 DSEQYUSRJLVFNC-UHFFFAOYSA-N 495.584 1.330 30 10 JDEE COCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CCOCC1 1730510587 ANHNAKVROSVRQJ-LJQANCHMSA-N 459.572 1.883 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1740620067 TVZCIYINFAOHLB-ICSRJNTNSA-N 494.639 1.646 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCCCCO)[C@@H]1CCS(=O)(=O)C1 1740623380 SLTRVOIZXSHQQS-MRXNPFEDSA-N 463.560 1.185 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1740627455 QOAZIXMMVPJQNV-JKSUJKDBSA-N 466.510 1.766 30 10 JDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2nc(C)ns2)CC1 1740795854 GPMRWAAMIMSRNG-UHFFFAOYSA-N 460.608 1.870 30 10 JDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740884980 SKSZKOBQNJXAQA-KNQAVFIVSA-N 468.606 1.707 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn2ccccc12 1740932947 ZRDRIYRCXPCGDA-LJQANCHMSA-N 457.560 1.485 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@](C)(C(=O)NC)C1 1740960180 MTEOHLGPQFUMAK-DEOSSOPVSA-N 489.621 1.657 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1740995801 XUBUZAXRGHEQOV-SHUHUVMISA-N 484.619 1.376 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(OC)CC1 1741001911 DOVYLBJPUKQDNP-XLIONFOSSA-N 473.665 1.926 30 10 JDEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1746577475 BOYKJOXDVSENQZ-INIZCTEOSA-N 461.473 1.913 30 10 JDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1748302102 AUDOXTYQZFANNF-GOSISDBHSA-N 458.544 1.242 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1748734532 GCMBDMWLGKUCLK-DENIHFKCSA-N 486.642 1.766 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1748751952 OUZUSQCIWPJDKK-QGZVFWFLSA-N 458.544 1.828 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)c(OC(F)F)c1 1748790878 OGZBTPALMLYXLL-GOSISDBHSA-N 499.540 1.533 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1748805964 YPPRPAHQBRWETA-UEXGIBASSA-N 468.645 1.841 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1748818739 FGBUOKHHXHWPGQ-LJQANCHMSA-N 460.629 1.522 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1749119917 YLCLBOIOZHLWCD-BZSNNMDCSA-N 497.666 1.500 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749121492 MUZLSPCDZMMFFH-SXLOBPIMSA-N 494.639 1.953 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1749137318 XSXGBQDATNFXQU-PGRDOPGGSA-N 494.662 1.632 30 10 JDEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749257889 FLJSMIFMHRYQPD-AWEZNQCLSA-N 463.955 1.143 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCS(=O)(=O)NC)C1 1749710546 YIRIKEOPSUKFTH-MSOLQXFVSA-N 498.650 1.723 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cccc(F)c2[C@H]1C 1749725836 VIALQAVRMTYUTD-LSDHHAIUSA-N 485.607 1.752 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CC[C@H](C(N)=O)C1 1749729418 IZVBQZUAICVNPH-ZDUSSCGKSA-N 468.377 1.620 30 10 JDEE CC(C)[C@@H]1OCCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1750689893 CDIBBGRVXNKYPO-UFYCRDLUSA-N 480.635 1.802 30 10 JDEE Cc1cnn(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)c1 1751727344 HNDVHTKWLUISEJ-UHFFFAOYSA-N 454.560 1.540 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)Cc2ccccc2C1 1760117518 PTXKYWVOTZQTBF-PXNSSMCTSA-N 457.600 1.874 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(C)(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1760187640 XNCCYAYKFCRKAF-AEFFLSMTSA-N 468.645 1.633 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCN(C(C)C)CC1 1760242775 OGSRQOKMQHSVTP-UHFFFAOYSA-N 455.563 1.247 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCN(c3ccncc3)CC2)CC1 1760252042 LLEXRAOEVOFMQG-UHFFFAOYSA-N 450.591 1.483 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCN2CCOC(C)(C)C2)CC1 1760264103 BQHDPKOUHZMIBP-UHFFFAOYSA-N 468.602 1.732 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCS(=O)(=O)CC=C)CC1 1760269554 LFOKBAWAEYZXNR-OAQYLSRUSA-N 499.593 1.357 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2ncc(C)s2)CC1 1760269661 NMPXXNRASULZHB-QAPCUYQASA-N 490.655 1.715 30 10 JDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760279796 JYNRHECPMWNZCL-CQSZACIVSA-N 458.569 1.584 30 10 JDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760308161 ZBFWQWCPYNCUOX-UONOGXRCSA-N 465.356 1.613 30 10 JDEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(=O)N(C)C[C@H]1C 1760355790 WIOPOSWUXQUBEY-MRXNPFEDSA-N 461.592 1.498 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)[C@H](C)CC)CC1 1760402694 RBKADZSXMRZWPO-MMOPVJDHSA-N 455.625 1.811 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCOCC1 1760480892 IFBKUASSNXFSAU-HXUWFJFHSA-N 473.599 1.622 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1760522778 YPNMNVPCFLQDDA-WOJBJXKFSA-N 473.599 1.623 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1760528018 PKRXTGDRPFSYPL-UHFFFAOYSA-N 463.473 1.833 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1760553727 GXFNUTZVLHPYNL-SFHVURJKSA-N 461.592 1.252 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1760556335 AFEOFICAYUAAMI-UHFFFAOYSA-N 495.675 1.818 30 10 JDEE CCNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1767173470 CJOAZPRTUGJDIQ-UHFFFAOYSA-N 462.562 1.434 30 10 JDEE CN(C[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)C1)S(C)(=O)=O 1767224198 ASJCLTDALDITAQ-HYHKQLJDSA-N 490.655 1.836 30 10 JDEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCNC(C)=O)cc1O 1862630190 ONSXTVXFQOAUKM-FQEVSTJZSA-N 454.435 1.844 30 10 JDEE COc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1Cl 1870155428 MPNRRTSLUBYUOT-UHFFFAOYSA-N 481.812 1.944 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1 2255816130 ZMBWSEDKQQMYPJ-NZSAHSFTSA-N 466.347 1.859 30 10 JDEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2266990947 YYXXZBGJAYHOBC-ZDUSSCGKSA-N 465.381 1.639 30 10 JDEE CC(C)(C)OC(=O)NC[C@]1(O)CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267144859 BTXZAQPGYNQWAB-OAQYLSRUSA-N 450.345 1.201 30 10 JDEE 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C=CCNC(=O)CN1CCN(CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)CC1 27559776 YMCAOPSHWVATFL-UHFFFAOYSA-N 453.543 1.092 30 10 JDEE CCOCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cnn(CCOC)c3)n2)s1 59887065 BSFKIGVTGGTNQV-UBKPWBPPSA-N 498.620 1.762 30 10 JDEE N#Cc1ccccc1[C@@H]1N[C@](CO)(C(=O)O)[C@@H]2C(=O)N(Cc3cccc4ccccc34)C(=O)[C@@H]12 247640530 GXSIZPSHAADNFG-QILISPFLSA-N 455.470 1.973 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(Cl)cccc2Cl)c(=O)n1CCN1CCOCC1 514475117 MRNOXTJMZANUCH-UHFFFAOYSA-N 493.416 1.354 30 10 JDEE COc1ccc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2=O)c(OC)c1 610548794 DOKGPFCHKIKNCM-LJQANCHMSA-N 484.534 1.214 30 10 JDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl 728294121 ANUMWBPQJXPNLW-AWEZNQCLSA-N 483.033 1.182 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)Cc2c(C)nn(-c3ccc(C(F)(F)F)cn3)c2C)CC1 728531342 HNWOPLQBYYRXHQ-UHFFFAOYSA-N 462.476 1.339 30 10 JDEE CCOCCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)sc(=Cc2cnn3ccccc23)c1=O 729668620 BFURGZJGPNSBNW-FXAWDEMLSA-N 479.606 1.792 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@](O)(Cc3nc(CC)no3)C2)ccc1F 856699264 JLYLUINXMHBLNC-FQEVSTJZSA-N 452.508 1.445 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)c1 917185918 CBEHNUVZQWVSQV-UHFFFAOYSA-N 453.564 1.952 30 10 JDEE Nn1c(NN=Cc2cc(Br)ccc2O)nnc1SCC(=O)NCc1ccco1 1084059049 IKSQMSCJSFVYMS-UHFFFAOYSA-N 466.321 1.908 30 10 JDEE CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cn1 1147111267 FILWPXKNDRHPGK-OAHLLOKOSA-N 457.922 1.078 30 10 JDEE C=CCn1c(S)nc2cc(C(=O)NC[C@H]3CCCC[C@H]3NS(C)(=O)=O)ccc2c1=O 1157346171 IMGCWYGFFYYEIH-GDBMZVCRSA-N 450.586 1.709 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCOC[C@H]2Nc2ccnc(C)n2)s1 1159595676 KQDLUBFSUDNTCR-JKSUJKDBSA-N 451.574 1.239 30 10 JDEE C#CC[C@@H](CCOC)NC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1233929190 ZPHGRNXRRSLOLH-HOTGVXAUSA-N 455.296 1.902 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1286385705 ZDTUGOZKUKEALK-NHCUHLMSSA-N 469.567 1.639 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1286386242 XDFNFKPOGBKPPL-ABSDTBQOSA-N 456.634 1.915 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCS(=O)(=O)N(C)C)CC1 1286471471 KMQRJICAZBNAMU-QGZVFWFLSA-N 464.567 1.204 30 10 JDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O 1286606504 RONGLDYAXJCVHD-MRXNPFEDSA-N 474.587 1.654 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286776061 ASKRKFAIERGWQZ-ROUUACIJSA-N 476.578 1.600 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1286783732 KGQXOLPQPUENFT-QGZVFWFLSA-N 470.530 1.686 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1286793194 AECFGOXFOPUNBC-AOIWGVFYSA-N 478.594 1.750 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCS(=O)(=O)C2)C1 1286813378 ULQJVECBWPQMPF-CVEARBPZSA-N 465.601 1.486 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](CC)O[C@H](C)C1 1286831763 KWMIFTCYFXMWEB-IKGGRYGDSA-N 459.638 1.534 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCC(C)(F)F)CC2)c1C#N 1290576487 FVSPDEOAGXZZPI-AWEZNQCLSA-N 485.565 1.174 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCOCC1 1300310933 QCZCLXUXQZEZAD-MSOLQXFVSA-N 463.579 1.976 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1300410235 MHENIWUBIBQPIT-MSOLQXFVSA-N 496.634 1.518 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1cc2ccccc2[nH]1)[C@@H]1CCS(=O)(=O)C1 1300479065 HRESJUFOHBEDHN-LJQANCHMSA-N 468.583 1.767 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1300499867 YRKYZGWNAFBBOM-RTBURBONSA-N 462.547 1.440 30 10 JDEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300503053 ZSYRSPMNRTTZBH-ZCVJKFOLSA-N 472.611 1.620 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(F)cc(F)c1 1300579356 UDLXVOUGVAEMDI-HXUWFJFHSA-N 477.537 1.595 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2CN(CC)CC)CC1 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1359044283 BETGTCROUPAPLP-SJBKTWHCSA-N 483.661 1.953 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1359183156 DQZLWOODEMREEW-LJQANCHMSA-N 495.694 1.625 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1ccnn1 1359256814 QQIXTPQSMUMPPC-HXUWFJFHSA-N 466.571 1.926 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cnn(C)c1C 1359333595 COBGPXSKVJRQLQ-UHFFFAOYSA-N 468.587 1.796 30 10 JDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)S(C)(=O)=O 1359479161 FUORNMNQYCKELP-SOLBZPMBSA-N 494.643 1.356 30 10 JDEE CC(C)N(C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1360099686 AVLNPQVOMOVRAZ-IBGZPJMESA-N 451.579 1.553 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)c1nccs1 1507589744 ZSQLIRKJTZPESR-CVEARBPZSA-N 452.606 1.721 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCN1CCCO 1507662220 FYFASRNDAGKGNA-NRFANRHFSA-N 469.611 1.658 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ncccc2C)CC1 1507718866 TXUBYPKYNQRQHP-UHFFFAOYSA-N 450.568 1.856 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cnccn2)CC1 1507934727 IXYWEYGSPCHBKH-SFHVURJKSA-N 476.607 1.084 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1507978445 GYIFDRZFYNQHLQ-IIBYNOLFSA-N 469.608 1.564 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1508058640 CVXBSQWCYQDLDU-IRXDYDNUSA-N 461.567 1.813 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1508131454 MPBLDWQWNPYRIK-NVXWUHKLSA-N 485.607 1.622 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCS(=O)(=O)CC1 1539012744 KMRKBEZWAJJABJ-KRWDZBQOSA-N 457.604 1.735 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1539203618 STROPOXGQWMBIK-QGZVFWFLSA-N 498.540 1.748 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(F)(F)F)n2)CC1 1539466749 FOGOIOBHCHWVMF-UHFFFAOYSA-N 477.491 1.844 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCC(=O)N2)CC1 1539470800 ZYJRXWAWEOCMDS-MRXNPFEDSA-N 488.390 1.291 30 10 JDEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](C)(C(N)=O)C1 1539751925 XQKWEWOAGALFLB-QHCPKHFHSA-N 454.579 1.747 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1540900018 IVIVSBSDEWQACR-LSDHHAIUSA-N 450.952 1.309 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1540908605 JWIGWDSKCCTOSF-LPHOPBHVSA-N 475.571 1.181 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1CCCCS1(=O)=O 1541911001 HLBBIEYWKGUSAQ-QAPCUYQASA-N 480.616 1.364 30 10 JDEE CN1CCC2(CC1)C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccccc1O2 1558918604 BHUCUOHJYUTRJI-HXUWFJFHSA-N 454.552 1.941 30 10 JDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CC3)n1 1561532014 YUGAJXRBSZBIFW-UHFFFAOYSA-N 450.948 1.916 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1588034837 MHCMNNBVAJYGSC-QGZVFWFLSA-N 490.582 1.513 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588049343 FGMGCDOTHIADFM-MSOLQXFVSA-N 497.625 1.951 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588068858 AWYAGULDRMXFHC-KNQAVFIVSA-N 460.604 1.582 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1c(C)noc1C 1588233497 JOPHXRLBZFSWRN-APWZRJJASA-N 474.587 1.482 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNS(C)(=O)=O 1588378616 MNIGLQHANFZQCC-INIZCTEOSA-N 454.597 1.401 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1588848475 GXLXAEVVTOWNGQ-OYRHEFFESA-N 451.619 1.907 30 10 JDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@H]2C1 1589068304 AAMNFAVZKRIKLZ-ZWKOTPCHSA-N 490.630 1.764 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)c1cccs1 1589663744 QDWQDFKMDMZCOM-INIZCTEOSA-N 482.632 1.505 30 10 JDEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1589715695 PXXCYTBJARXTRI-HNNXBMFYSA-N 452.606 1.746 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N[C@H]3CCCC[C@H]32)cc1 1595608299 QJFKYGOVINMVBX-FFZOFVMBSA-N 488.614 1.749 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN(C(C)C)C2)C1 1595674192 NRUJLKJPXMTROG-GUDVDZBRSA-N 454.641 1.790 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCOCC2(C)C)C1 1595721944 ICPKBHWKVDKVIZ-ROUUACIJSA-N 453.609 1.072 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](C)(C(N)=O)C1 1595777282 KTQCWZAKZPEMDE-OAQYLSRUSA-N 461.544 1.019 30 10 JDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 1596437221 NYYXOVFFKQWJEU-UHFFFAOYSA-N 459.506 1.939 30 10 JDEE CC(=O)N1Cc2ccc(NC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2C1 1623178662 GMDYORJZTHOHFK-UHFFFAOYSA-N 453.524 1.959 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2csc(Cc3cccc(Cl)c3)n2)CC1 1650849032 RBZGTHOFGICWEN-UHFFFAOYSA-N 452.989 1.542 30 10 JDEE COc1cc(F)c(Br)cc1S(=O)(=O)N(CCC#N)CCN1CCOCC1 1661950997 CRNLHKQAXNGPBL-UHFFFAOYSA-N 450.330 1.833 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2C)C1 1689931557 BGILVKQLBXYNEI-SFTDATJTSA-N 473.599 1.911 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(F)cc2)CC1 1689931886 LDDTZVVBAFEOQE-FQEVSTJZSA-N 476.578 1.490 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689979516 CPHOGQUUIKYEOD-ARFHVFGLSA-N 489.689 1.047 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CCNC(=O)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1689980049 KSYSUKJCSQRXRU-LJQANCHMSA-N 457.600 1.941 30 10 JDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1689986502 RFJVGXCAXOLFMV-HKUYNNGSSA-N 455.584 1.795 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCCOC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1689986884 YUHKPBGUSLFEOP-QUCCMNQESA-N 459.572 1.410 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@@]2(C)COCCO2)n1 1690109331 NTHQRTREUBWUIO-REWPJTCUSA-N 458.563 1.808 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1690156058 RMYVLVQGWNNDAA-YJBOKZPZSA-N 467.592 1.972 30 10 JDEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)C(C)C 1690581715 XGXFRZHUTZMICQ-MHTWAQMVSA-N 469.634 1.890 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1690655073 GLYJKKNYAZHJHV-UHFFFAOYSA-N 472.619 1.157 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC1CCOCC1 1690669175 WSSVXVCNPYHOGZ-UHFFFAOYSA-N 451.531 1.357 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN(C)C(=O)OC(C)(C)C)C1 1690685890 FONZDUWQSDAITK-HOTGVXAUSA-N 472.612 1.537 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@@H]1CCCOC1 1690726989 RVFMLANCXRLGFF-SFHVURJKSA-N 458.588 1.980 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC3(CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690732082 VKBVFDMDWZVLQO-JOCHJYFZSA-N 468.620 1.926 30 10 JDEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1690737452 NCFQRZPDCPUYIH-UHFFFAOYSA-N 495.609 1.243 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1705524651 QEFSIWDXAWOWHW-HNNXBMFYSA-N 454.597 1.795 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1705560197 FJPYRUKIFLIMDQ-AEFFLSMTSA-N 494.664 1.728 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCCS1(=O)=O 1705628731 NWDFQBGEYHHBLW-PXNSSMCTSA-N 460.556 1.844 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@]2(O)CCOC2)CC1 1705636929 CHTIGVCHWSWKHJ-DEOSSOPVSA-N 455.559 1.649 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1705637595 DHCPMYIUCOZDLA-UHFFFAOYSA-N 460.464 1.818 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCOCC2)CC1 1705646282 VHBGXCMOUHCYOR-IBGZPJMESA-N 461.570 1.503 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCC)CC1 1705661525 DFQZJTRKZMTVPQ-SFHVURJKSA-N 467.661 1.679 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705666770 CVSPCAMCKYHUJJ-ICSRJNTNSA-N 470.599 1.726 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NCCOC)CC1 1705694806 TWGALZSWDOZGGM-RBUKOAKNSA-N 462.595 1.377 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1705894581 CXVZSCJMOLADAO-UHFFFAOYSA-N 473.622 1.870 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CCOC)[C@H](CC)C1 1705895994 ZJQSGNSXCGNSLN-QGZVFWFLSA-N 494.438 1.895 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H](NC(C)=O)C1 1705902621 ILSBWATUONNPGM-LJQANCHMSA-N 489.621 1.800 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1705906430 DQAVLNAOYGXHAO-OAQYLSRUSA-N 465.558 1.332 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(Cc3cscn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705909101 MWRBXNJGVJRTMY-QFIPXVFZSA-N 475.619 1.400 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1705961473 YGZMDLDPJVNILJ-MBOBHEEDSA-N 464.530 1.171 30 10 JDEE Cc1ccn2cc(Cn3c([C@H]4CN(S(C)(=O)=O)CCO4)nnc3N(C)C[C@@H](C)C#N)nc2c1 1707313570 FKNDWQNSQHKIKW-FUHWJXTLSA-N 472.575 1.211 30 10 JDEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1708278360 GDJSQEVTPNJSEL-PRCFCKQXSA-N 454.531 1.360 30 10 JDEE CO[C@@H]1COCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1712095546 ABWJYAHKVXWXAD-CMKODMSKSA-N 454.579 1.905 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC2(O)CCC2)c1 1722304673 CDNYGYHVNYMQND-MRXNPFEDSA-N 474.587 1.250 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCC(F)F)c1 1722308919 HXSPZUQGYFNNSM-MRXNPFEDSA-N 481.525 1.518 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1722358024 CKJMPJVOCAGCQG-SFHVURJKSA-N 473.603 1.282 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1722358444 HREMLMAVSOBLJB-KRWDZBQOSA-N 472.571 1.369 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(N(C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722360966 XGRKZAAGQALRRG-GOSISDBHSA-N 461.588 1.584 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1722362249 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C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1722729742 VXSFPKSLJYFEQB-MSOLQXFVSA-N 475.571 1.413 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCCOC2)C1 1722738088 AXXQERCFVITKBH-XLIONFOSSA-N 471.649 1.537 30 10 JDEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C#N)C1 1727928042 HVGSVJZAPQWJPT-AEFFLSMTSA-N 454.531 1.997 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCOC1=O 1740549135 LAVSEHLKWQSSTD-IAGOWNOFSA-N 462.551 1.887 30 10 JDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCOCC1 1740607809 DPJLCJIDOVADNT-KRWDZBQOSA-N 460.579 1.744 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1740627909 TZMWEYHVKVYQJE-RTBURBONSA-N 492.623 1.194 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 1740690341 ISONFHOTUHCAKU-GBESFXJTSA-N 466.652 1.485 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC2(COC)CCCC2)CC1 1740705679 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451.593 1.616 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1722750165 LGAJOEJVYCDFPL-MOPGFXCFSA-N 477.543 1.838 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCS(=O)(=O)N2CCSCC2)c1 1740562382 JNSGVVYSZFIRFB-UHFFFAOYSA-N 488.639 1.590 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1CCN(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1740627605 RHZZZWNZQXEMGY-RTWAWAEBSA-N 463.648 1.921 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(OCCO)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1740628501 YIOMIRZLXVKCNU-LJQANCHMSA-N 490.626 1.921 30 10 JDEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CCCn1cnnn1 1740641833 NYGHBOMQCMSXAA-UHFFFAOYSA-N 455.320 1.769 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(=O)NCC(F)F)CC1 1740701925 FTDVTSRZMIFFMD-OAHLLOKOSA-N 492.502 1.904 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCN(C)C2=O)CC1 1740850230 DJVXRTOWEAQAHT-SFHVURJKSA-N 494.662 1.662 30 10 JDEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCNS(C)(=O)=O 1740876854 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1.131 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1300734064 PWRREKPRYPDFJX-KBPBESRZSA-N 469.555 1.802 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(CC)CC 1300806385 TZFTZUJXLDVQHR-WIYYLYMNSA-N 452.625 1.335 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)NC)CC1 1300877076 WBOKNOXWGSGNPH-AEFFLSMTSA-N 454.535 1.368 30 10 JDEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1300983991 UXIIXCHPHBIFSF-UHFFFAOYSA-N 478.601 1.934 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1301501431 WYUHIHJUVYSXMX-IEBWSBKVSA-N 459.572 1.369 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@H](C(=O)NC)C1 1301575149 CEGADLRBNHXJSB-RDJZCZTQSA-N 493.655 1.683 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1301577242 GNZUQIGUYIOFJE-NRFANRHFSA-N 497.625 1.160 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@@](C)(C(N)=O)C1 1301585815 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1539231282 UPMBKJVZSAINIT-FXAWDEMLSA-N 460.556 1.671 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1SC 1539415945 ILETXBMFPADOCI-SFHVURJKSA-N 497.618 1.606 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)c2ccsc2)CC1 1539466573 CECVUORSCODTPO-DEOSSOPVSA-N 493.593 1.860 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC(C)(C)N2CCC(OC)CC2)CC1 1539489325 LEGITXYJXQDGLR-UHFFFAOYSA-N 460.623 1.670 30 10 JDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1539721382 ACQXXUZSMODIIQ-FKBYEOEOSA-N 462.639 1.809 30 10 JDEE CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)[C@H]1CC(=O)N(c3ccc(C#N)cc3)C1)C2 1539917168 CCIZTKQGFCTQTB-SFHVURJKSA-N 452.536 1.746 30 10 JDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1540013077 JVBCIGSMKKPJHS-UHFFFAOYSA-N 454.579 1.747 30 10 JDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1540046987 CUNKBESNXKLSPW-UONOGXRCSA-N 454.519 1.164 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1540863128 PQIGDXMZFYRVIX-SJORKVTESA-N 456.547 1.786 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1540869085 BBZLYVQBBQVVDU-IAGOWNOFSA-N 485.589 1.829 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(S(=O)(=O)CC)CC1 1540876203 KMIOXQJOKXCJLM-IEBWSBKVSA-N 467.636 1.902 30 10 JDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N1CCOCC1 1548299421 FXCAOUDZUITKJY-ROUUACIJSA-N 460.604 1.797 30 10 JDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1554398957 FCNCWHJEAQCSKH-HFZDXXHNSA-N 492.628 1.722 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588039702 CJIQHPFSJSOHLC-MZKRTTBSSA-N 496.637 1.943 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588064743 ODYRNIVMQCYVRI-VXKWHMMOSA-N 486.642 1.247 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1588069280 KWFFMNMNJALYEF-SFHVURJKSA-N 451.508 1.997 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CCNS(C)(=O)=O)CC1 1588741841 JATPSBUXNLQMGU-GOSISDBHSA-N 495.049 1.993 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2c(CC)nn(C)c2OC)CC1 1588877129 WFLVOXQMPOOKCH-PXNSSMCTSA-N 457.579 1.110 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCCN2CCCO)CC1 1588907259 AAGKLRAKOAHBHU-JOCHJYFZSA-N 450.587 1.758 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCOC[C@H]2OC)CC1 1588908712 VMQGXELLUXZECQ-NFBKMPQASA-N 497.596 1.980 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1593696571 SSFQMLCASKGMJM-QGZVFWFLSA-N 494.593 1.583 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCS(=O)(=O)NC)C1 1595680874 NGHXDGVZBADKKT-ZDUSSCGKSA-N 459.370 1.366 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1595797473 HJIOXOYKHHBQEO-IBGZPJMESA-N 471.587 1.366 30 10 JDEE CC(C)CN1CCC[C@@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)C1 1607454754 CFKDQOYOZJNRIZ-NHCUHLMSSA-N 493.678 1.719 30 10 JDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)[C@@H](C)C1=O 1607485458 HFZHGBLEMUEHKS-IBGZPJMESA-N 479.585 1.759 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)COC2 1611307641 FCAVHNAJTMOBEC-KXBFYZLASA-N 460.560 1.428 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)/C=C\c2cc(Br)c(O)c(OC)c2)CC1 1627014695 ANDOVXOAPRPJRR-WAYWQWQTSA-N 450.333 1.460 30 10 JDEE N#CCC1(O)CN(C(=O)c2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc2Br)C1 1633249536 CGZFCULKYYAMFX-LBPRGKRZSA-N 458.334 1.007 30 10 JDEE CS(=O)(=O)Cc1noc(CN2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)n1 1654039228 CMOIIQCMNOPZNZ-HNNXBMFYSA-N 454.350 1.759 30 10 JDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N1CCN(C(=O)OCC)CC1 1666116551 MEGGSXJXXATIJO-UHFFFAOYSA-N 458.581 1.340 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC(C)C 1689853531 VCQBOJJQOLQDJF-IRXDYDNUSA-N 484.623 1.372 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC(F)(F)CO2)c1 1689868631 MNUPRVFAJWXURY-WMLDXEAASA-N 496.540 1.369 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@@H]2NC(=O)CC2(C)C)n1 1690109332 NVHXMJGVIZOTLT-FQEVSTJZSA-N 462.558 1.738 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1690120506 XBPKDIUSZJXTTB-UHFFFAOYSA-N 460.464 1.818 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1690133500 JQQZDBKOUJILRS-JOCHJYFZSA-N 481.645 1.647 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCc2nccs2)CC1 1690135502 YNOQRRXLNLQZCD-UHFFFAOYSA-N 455.588 1.569 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cc(C)no2)CC1 1690152209 CAIDYNWBDXJWEE-UHFFFAOYSA-N 467.555 1.580 30 10 JDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1690163448 FXXIBHZYQSAUNQ-SFHVURJKSA-N 465.587 1.592 30 10 JDEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1690221971 FKTVRVCJPMGTPI-UHFFFAOYSA-N 488.390 1.610 30 10 JDEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)c1ccccc1 1690324079 IAJXFQGNKNESBT-ZWKOTPCHSA-N 450.586 1.517 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCCCOC)CC1 1690345839 DUPBFUYGPZBFKR-KRWDZBQOSA-N 478.015 1.385 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1690644620 XMSWMRMQWZWFCU-IBGZPJMESA-N 459.572 1.896 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccc(F)cn2)CC1 1690659303 PEMYMEYIFRIUCX-UHFFFAOYSA-N 458.542 1.359 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690662045 PIDZODSHWULDNX-MRXNPFEDSA-N 473.379 1.525 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1690668575 ASEXKSYQCCDJMK-UHFFFAOYSA-N 452.494 1.512 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCS(=O)(=O)NC(C)C)C1 1690700867 YZSJJAXTNMNNGR-YLJYHZDGSA-N 477.587 1.900 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(=O)N(C)C)CCCC2)CCO1 1696961570 ACONPMWQZGDEAL-LJQANCHMSA-N 465.558 1.417 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCCCC2)c1 1705506743 HHSOFGLZAUDNDE-LJQANCHMSA-N 485.610 1.932 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1705558835 JSASPKUJDWPCKC-GOSISDBHSA-N 459.572 1.577 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCNC(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1705571600 CMULQYFBXYJSMD-HZPDHXFCSA-N 463.585 1.248 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@H]2NC(=O)CC2(C)C)n1 1705631577 JGQXUUQCMMXZPS-LJQANCHMSA-N 463.546 1.133 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[S@](=O)CC)CC1 1705651163 MJRYBXBWGUULAN-JGCGQSQUSA-N 476.628 1.004 30 10 JDEE Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(Cc3ccc(C#N)cc3)CC2)no1 1707293072 ASHDYHGOPSTIAC-QGZVFWFLSA-N 484.586 1.427 30 10 JDEE C[C@@H]1CCC[C@H](NC(=O)CN2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)N(C)C)CC2)C1 1708036594 CMANWLNNNJIZHE-KNQAVFIVSA-N 492.628 1.722 30 10 JDEE COc1ccccc1O[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1711997118 AYZWWVIWHLAPQQ-STXHMFSFSA-N 466.539 1.806 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1722279525 HLQHEMWHELYEMU-WCAVRKLYSA-N 473.599 1.991 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)SC)c1 1722304846 JOEVLMJGIAHOOR-HUUCEWRRSA-N 464.617 1.696 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1722357766 ABZIVUYPCUWFPT-MRXNPFEDSA-N 485.957 1.649 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCC(=O)NC2CC2)CC1 1722440428 IWRORWKXUJMYKM-UHFFFAOYSA-N 455.588 1.084 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(NC(C)=O)cc2)CC1 1722448463 VFQBHMCHZPLIHV-FQEVSTJZSA-N 463.542 1.202 30 10 JDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722534129 KECAFSXXVSQJOL-UHFFFAOYSA-N 453.591 1.601 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1722700438 JPHDFQRZYPKMFP-IFMALSPDSA-N 494.644 1.383 30 10 JDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCCN1CCN(c2ccncc2)CC1 1723777397 DGLPGMHUNMBHDW-HXUWFJFHSA-N 465.606 1.746 30 10 JDEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1724278660 AGOMNHHXNNMYOG-RTBURBONSA-N 474.587 1.484 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)C2CC2)c1 1740564454 NJWCRQOZBLVWAM-XMMPIXPASA-N 450.543 1.618 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCc3ccccc32)CC1 1740689859 DTLHNBMENUJDAY-UYAOXDASSA-N 456.616 1.764 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1740693516 BFMUKXIOZCYTIY-UHFFFAOYSA-N 450.568 1.710 30 10 JDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740719429 MKUQGJKQAGYDIA-UHFFFAOYSA-N 462.645 1.881 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccn2)CC1 1740750417 BSLXQAZXVJXODF-GGPKGHCWSA-N 475.619 1.591 30 10 JDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1740777877 PRXUYGMAKRDULB-UHFFFAOYSA-N 458.588 1.991 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@H]1C 1740969472 PDTICHYBSVEJKE-YLJYHZDGSA-N 473.599 1.850 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1741001380 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C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1595785394 ZGCZPLQAWPPONO-UHFFFAOYSA-N 475.619 1.651 30 10 JDEE Cn1cc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC[S@@](=O)C(C)(C)C)CC2=O)cn1 1618412249 DFUPODWEFKZVRQ-UUWRZZSWSA-N 480.598 1.951 30 10 JDEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1620150507 FCIQHOKFQQZDSU-IBGZPJMESA-N 492.627 1.256 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(=O)n(CCOc3ccccc3Cl)c2)CC1 1626966582 ICCRNSIWSKPWCE-UHFFFAOYSA-N 456.930 1.088 30 10 JDEE COc1cc(OC)cc(N2CCCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1631624106 FXZDKHFCCWOVEM-UHFFFAOYSA-N 458.540 1.593 30 10 JDEE C=CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)C(=O)OCC 1633797033 KMQOEABVRMWXDY-QGZVFWFLSA-N 454.545 1.729 30 10 JDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 1667956689 QNLOMSXKGBZDPL-CRAIPNDOSA-N 458.606 1.723 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1689950985 IOXFPYJZJKDAPG-GOSISDBHSA-N 453.572 1.821 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1689978154 NUICCBNRTHBBPN-MRXNPFEDSA-N 494.524 1.186 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689988210 LCGBXLZKDARPQA-QGZVFWFLSA-N 473.580 1.374 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1689989003 AECCXMYOYJNWLU-RBUKOAKNSA-N 462.597 1.164 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CC1 1690091308 OVHQGDCNDFTKCS-ZQHDKMAOSA-N 464.588 1.870 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1690095856 FMJBLRUHIJRKGR-INIZCTEOSA-N 475.347 1.782 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2[C@H]2C[C@H](c3cccc(F)c3)C2)CC1 1690111625 GIPSFZWZVRBQMZ-YVWKXTFCSA-N 460.579 1.901 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1690228880 HQYLTLTUJAIZKP-OAHLLOKOSA-N 495.403 1.446 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)NCCCCC)CC1 1690288260 PCQKQZDMCOIGIR-IBGZPJMESA-N 482.651 1.710 30 10 JDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1690627623 NRXUCEXSICQMTQ-IBGZPJMESA-N 454.579 1.343 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1690665350 AIDOOSJMSLWUQH-UHFFFAOYSA-N 497.600 1.991 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1690670649 GNMAKEMKZLYIOK-MZNJEOGPSA-N 487.605 1.554 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1690696342 AOYSDBCIELKERK-QRQLOZEOSA-N 456.522 1.494 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690729572 RELSIVSYYXGMHV-IBGZPJMESA-N 482.628 1.698 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCC([C@@H]3CCCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1690731990 SYIVBYSUAKRVCS-SIKLNZKXSA-N 468.620 1.926 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCOC[C@@H]1C 1692793521 BRBBTJFUTJUSBX-LNLFQRSKSA-N 488.618 1.154 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)N2CCOCC2)c1 1705505669 RGCOZHZSDCWWLK-PXNSSMCTSA-N 465.558 1.006 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@]2(O)CCN(C)C2)c1 1705507058 QJJOXPKFDLLFTA-GBXCKJPGSA-N 452.559 1.643 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNC(=O)c1cc[nH]n1 1705589279 NZRKOGLIPKPACD-UHFFFAOYSA-N 458.526 1.763 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1705647876 NZDZJNQZBDYOES-CTNGQTDRSA-N 469.634 1.563 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCc2nnc(C)s2)CC1 1705649133 LNTIVGRQLFOFJY-UHFFFAOYSA-N 453.576 1.437 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705694684 SSFTZILBPGWGCD-CTNGQTDRSA-N 473.622 1.142 30 10 JDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1705886275 HUVXSKAHJJRPAS-LSDHHAIUSA-N 454.622 1.990 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)C2CCCC2)C1 1705925443 PKRFFJMMOUQRDP-VQTJNVASSA-N 482.651 1.267 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1705933981 XWTQOJJMNMOMDX-KBPBESRZSA-N 476.024 1.852 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1706067940 BJNPKZLQYUZZDB-NVXWUHKLSA-N 480.616 1.368 30 10 JDEE CC(C)(C)OC(=O)N1CC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)C1 1706155369 GPGLSLZICWDGDR-SFHVURJKSA-N 451.531 1.995 30 10 JDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NCCOC)CC1 1722329944 MTYPRYSKWDCIFZ-UHFFFAOYSA-N 477.569 1.584 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1722361240 GBUOQVFOJQMCIW-XMSQKQJNSA-N 460.556 1.386 30 10 JDEE C#CCN(c1nnc(COCC)n1CCNC(=O)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1722369589 BSIOEFDPTBJDLF-INIZCTEOSA-N 463.535 1.010 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1722370076 LCYBEVFPGOIQDP-SFHVURJKSA-N 489.573 1.669 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(=O)N2CCOCC2)CC1 1722440585 BBMDZNPYPCZQOE-UHFFFAOYSA-N 452.559 1.088 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1722443918 PZFGJGBMFBWHRO-OAQYLSRUSA-N 488.640 1.809 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1722603465 JMWSGKAIYHVQRW-UGKGYDQZSA-N 482.651 1.268 30 10 JDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722604349 YKVIOIXWKRPQIH-LJQANCHMSA-N 464.636 1.281 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)OC)CC1 1722696555 BLUBNQPQJXAOMH-UHFFFAOYSA-N 493.568 1.928 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1740574787 NKODFYXKBCFQPA-INIZCTEOSA-N 477.616 1.690 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1740626234 VXNYQAYRJFQSPB-GOSISDBHSA-N 463.604 1.234 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1740627295 GENMRLNRFDEHGN-HXUWFJFHSA-N 479.566 1.620 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 1740627827 SPTXOAXLZRXYRH-OLZOCXBDSA-N 475.518 1.932 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(N2CCOCC2)CC1 1740687375 BJSXVVHQYPWYHT-BGYRXZFFSA-N 488.633 2.000 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCN2CCN(C)C(C)(C)C2)CC1 1740696753 FJOAQFXYPPZRCG-UHFFFAOYSA-N 453.610 1.789 30 10 JDEE C=C(C)COCCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 1740798832 BUUOVFPRDOPGIE-QHCPKHFHSA-N 458.563 1.568 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(ccnc2N(C)C)C1 1740864299 LUFLJJRKVIEJKP-FQEVSTJZSA-N 489.646 1.991 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NC(C)(C)C)C1CC1 1740910139 KISDQQWGLXEGJY-INIZCTEOSA-N 454.597 1.071 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1740992081 MIQLCSMOFRKMAM-HDICACEKSA-N 497.618 1.555 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C(=O)NC)C1 1740993160 ULMXXJZPVGQODO-OAHLLOKOSA-N 467.542 1.710 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cnn(-c2ccccc2)c1 1741130755 BIXACJRXAFWTHD-WIYYLYMNSA-N 498.613 1.635 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1748808795 NNSWIEVIRPUXLA-RKXCMPKHSA-N 486.566 1.942 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1748810057 RRYFPZZTGIFPPB-AUMHUTNHSA-N 478.596 1.112 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1748810191 SVXVGVNKZMBUPN-IIBYNOLFSA-N 450.536 1.498 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1748814272 CESHQCOHTYAVQH-LSDHHAIUSA-N 472.596 1.972 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1748817954 TXWYNIXQWZXPDQ-POAQFYNOSA-N 494.614 1.750 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1748821877 VVJBYWKOHJSMOA-HXUWFJFHSA-N 482.610 1.925 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(OC)CCOC2)CC1 1749003576 NNVPJTRLKYGNSF-QHCPKHFHSA-N 468.514 1.625 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)nc2OC)CC1 1749016761 NFVOBVPXGYATCL-UHFFFAOYSA-N 475.553 1.690 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749118607 HEBDLVONZXNUFW-URVUXULASA-N 460.623 1.754 30 10 JDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1749303283 HCUNYAYUDMQKCP-HOTGVXAUSA-N 463.526 1.600 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1749457977 UFZGUZDEUKVHDP-GJZGRUSLSA-N 479.525 1.278 30 10 JDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OCC(C)C)CC1 1749667328 YEMHBUSHDGSFNU-UHFFFAOYSA-N 473.534 1.223 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1749683016 GQYVDLRKKUFTIP-LPHOPBHVSA-N 478.594 1.798 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@@H]3C2)cc1 1749683613 ZHCOOSBTGLXOGP-WBVHZDCISA-N 476.559 1.142 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1749739928 NPLJQVQPMHPGPW-FQEVSTJZSA-N 451.524 1.299 30 10 JDEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CN2CCOCC2)CC1 1750203476 IDOVBVGYKOSQKV-UHFFFAOYSA-N 472.615 1.800 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccccc1F 1751219979 CRMKMURPOJFUDT-INIZCTEOSA-N 484.561 1.669 30 10 JDEE Cc1nc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)sc1C 1751339408 IFGVPMBPJUALGC-KRWDZBQOSA-N 479.632 1.863 30 10 JDEE C[C@@H]1CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CCCO1 1752397638 GNGKDMUNKFXFJE-NQIIRXRSSA-N 472.615 1.941 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760187474 DHVLVFNEFGTLNE-XMSQKQJNSA-N 452.540 1.270 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1760191745 MQFHERZGJUBSAG-QZTJIDSGSA-N 450.536 1.777 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1760192193 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Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2282848076 ISUPFRMFCKRHLH-OALUTQOASA-N 472.420 1.614 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CCOC[C@H]1OCc1ccccc1 2282854713 VGIBUHQOCMQKGW-RBUKOAKNSA-N 477.392 1.372 30 10 JDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2283955224 DAKQALNQOBQZQW-ZDUSSCGKSA-N 480.758 1.708 30 10 JDEE COc1cc(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc([N+](=O)[O-])c1O 2322614653 LBSDTINORGFBEO-SNVBAGLBSA-N 457.852 1.325 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](CNC(=O)OC(C)(C)C)OC 2339879056 RGLATIJQNDDYCT-AWEZNQCLSA-N 452.361 1.472 30 10 JDEE C=CCN1C(=O)N[C@H](c2ccccc2Cl)C2=C1CN(CC(=O)NC1CCN(C)CC1)C2=O 34791899 OZLOFYCDJSIOPN-OAQYLSRUSA-N 457.962 1.899 30 10 JDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@@H]1c1cccc(Br)c1 72443790 POBPOXWSMBWQTI-UONOGXRCSA-N 471.315 1.458 30 10 JDEE COc1ccc(OC[C@H](O)Cn2c(NN=Cc3ccc(O)cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 254849381 RKUFKQWOXHNJGR-QGZVFWFLSA-N 494.508 1.034 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CSCN2C(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 512718706 RQKJJKSGDKSSEQ-IBGZPJMESA-N 495.045 1.845 30 10 JDEE C=CCn1c(S)nc2cc(C(=O)N3CCN(c4ccccc4S(=O)(=O)NC)CC3)ccc2c1=O 727860917 TYFNNIPPQSCMGQ-UHFFFAOYSA-N 499.618 1.742 30 10 JDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)[C@H]1CCS(=O)(=O)C1 729332086 UTXDCIQPLGJKCX-NRFANRHFSA-N 478.636 1.615 30 10 JDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@@H]1CCCN1C(=O)OCc1ccccc1 1185675708 VAEHLRJQLBBSQC-OALUTQOASA-N 454.570 1.240 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1266524866 FTDVGHFBJYNSPS-UHFFFAOYSA-N 454.614 1.683 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccccc1OCCN(C)C)[C@H]1CCS(=O)(=O)C1 1286386686 FYFWQZAXZFFIBS-FQEVSTJZSA-N 482.610 1.889 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1286389377 IVWYMXXFIJIRSQ-HYHKQLJDSA-N 487.607 1.995 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(O)cc2)CC1 1286486506 NJTUBRUVTAKWDX-UHFFFAOYSA-N 459.510 1.645 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2([S@](C)=O)CCC2)CC1 1286493426 HFKGGCSKDFHFEF-YTTGMZPUSA-N 454.600 1.531 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCN2CCOC[C@@H]2C)CC1 1286493951 YDXYMBCXQLSEOS-NRFANRHFSA-N 480.613 1.852 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1286601725 XRCGJEGSPLNCGU-SFHVURJKSA-N 483.639 1.209 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1286780858 JVAXQCFBOIPPNN-INIZCTEOSA-N 473.965 1.256 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1286780905 LHXOTQMWCSHTJY-IBGZPJMESA-N 461.526 1.676 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1286780907 LHXOTQMWCSHTJY-LJQANCHMSA-N 461.526 1.676 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC(F)(F)F)C1 1286809552 JOMDWLUXDDHBAL-HUUCEWRRSA-N 483.513 1.319 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccccc2)C1 1286810419 QZSVCLKQSFGISW-UXHICEINSA-N 477.587 1.471 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1286813959 GTSWEDATVAREBS-CHWSQXEVSA-N 453.487 1.173 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286821016 YHJBJPQHKNMFSN-GOSISDBHSA-N 466.652 1.210 30 10 JDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1)S(C)(=O)=O 1286974894 ATEGVULOIFICRX-CABCVRRESA-N 465.601 1.652 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CCCOC1 1288862219 HXNIVMNSOZXRFK-ZWKOTPCHSA-N 473.603 1.513 30 10 JDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CN2CCCC2=O)n1CCC(C)(F)F 1291194653 BDUBYDKECRDZEG-HNNXBMFYSA-N 459.505 1.823 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1300465504 NNDRBJAHGIXLPH-SQNIBIBYSA-N 453.609 1.522 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300483463 LRWIKYHXSOOFIE-NQIIRXRSSA-N 468.583 1.164 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1300489310 LXZWUSWEYFANFV-FQEVSTJZSA-N 480.594 1.750 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1300504286 LEJQOCBJPCJIFH-LJQANCHMSA-N 459.572 1.191 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1300681996 CXLYMZZMCVQMIU-CJFMBICVSA-N 468.602 1.639 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCCS2(=O)=O)CC1 1300688723 KGMWGNWWNVSBEF-HXUWFJFHSA-N 491.639 1.071 30 10 JDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(C(N)=O)c2)CC1 1300708107 NMFIHBXEFBVTEF-UHFFFAOYSA-N 463.567 1.172 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1300743150 HNTVKLQJGVHPAR-UHFFFAOYSA-N 484.607 1.371 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCC(=O)NC 1300882709 WHZPBRXQMNFQKZ-QFBILLFUSA-N 475.619 1.792 30 10 JDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1301467573 ZYFOTXMELAFMIZ-UHFFFAOYSA-N 451.575 1.964 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1301492216 ARURDYSOQGQNJV-QGZVFWFLSA-N 451.531 1.441 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1301534594 CFJJXJYKMUDPNP-RTBURBONSA-N 453.547 1.965 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1301567034 FEIJSIKGMPEAHM-MRXNPFEDSA-N 480.566 1.599 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCNC(=O)C(C)(C)C 1303401901 ASSTZVUTDIRFBW-UHFFFAOYSA-N 484.580 1.916 30 10 JDEE CCCN(C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1306782291 DIHUCZDRCKQZJY-HXUWFJFHSA-N 451.575 1.844 30 10 JDEE CN(C)S(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1314675192 HFBRWFTXSDMOLO-VQIMIIECSA-N 450.496 1.124 30 10 JDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1314964596 FZXZMAHHXRGFGR-UUOWRZLLSA-N 465.558 1.274 30 10 JDEE COCCN1C[C@@H](Cn2c(COc3ccccc3F)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1316121395 GMSROIKCYVMXIL-AOMKIAJQSA-N 460.485 1.933 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C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)c(C)c2)CC1 1740706448 YJZKSGMFYYOIIE-IBGZPJMESA-N 473.574 1.642 30 10 JDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1740865100 RYBBBDPPGXXVOG-FCHUYYIVSA-N 494.706 1.768 30 10 JDEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1740871781 NVOQAHIOMHHIJS-UHFFFAOYSA-N 471.953 1.426 30 10 JDEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740944078 TVSDHSXLSJSJRX-HNNXBMFYSA-N 465.576 1.923 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](NC(C)=O)C1 1740958970 XZIHKZOFOIQVBT-OALUTQOASA-N 489.621 1.800 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 1740987914 OBQVDUGFROGDAJ-IRXDYDNUSA-N 497.643 1.410 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1740988593 JWQNETJIDFBSNN-GOSISDBHSA-N 489.598 1.622 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1741017516 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476.603 1.364 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1749650477 YMMRETLSZOMHJX-OAQYLSRUSA-N 495.628 1.998 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(N2CCNC2=O)CC1 1749651955 CXYBXEWUUBQPHD-UHFFFAOYSA-N 491.394 1.342 30 10 JDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1760136072 PFRHCMCGYGURMS-UHFFFAOYSA-N 470.603 1.640 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(OC)cc2)CCC1 1760175485 KQWLIDIHVBZVKV-HXUWFJFHSA-N 473.599 1.811 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1760182728 IOHFUYFELLDOHX-SFHVURJKSA-N 494.639 1.526 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1760184355 WCEMWCJVCPVEPB-OAHLLOKOSA-N 465.963 1.370 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1760187865 YLZQJPFBYGKESE-WBVHZDCISA-N 497.668 1.069 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760188296 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CC1(C)OB(c2cccc(S(=O)(=O)N[C@H](COCc3ccccc3)C(=O)O)c2)OC1(C)C 2269026467 MGZVCVBPEQXTGN-LJQANCHMSA-N 461.345 1.934 30 10 JDEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H](COCc3ccccc3)C(=O)O)c2)OC1(C)C 2269027095 VAQCTPQKNRMKMR-SFHVURJKSA-N 462.333 1.329 30 10 JDEE Cn1ncc(C(=O)NC[C@@H]2CO[C@@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281828141 GNWPULUGAZKTPR-HUUCEWRRSA-N 464.372 1.379 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2281925890 IKUOZBVIQARQOU-HOTGVXAUSA-N 462.356 1.559 30 10 JDEE CC1(C)OB(c2n[nH]cc2C(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)OC1(C)C 2281931243 SLHPDTTUSSHVMY-VQTJNVASSA-N 452.364 1.824 30 10 JDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2COC[C@@H]2CNC(=O)OC(C)(C)C)n1 2282049989 IBBHCDQCWCAXFX-DOTOQJQBSA-N 461.368 1.959 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2282172026 RCYOIDIFRACRFY-QDMKHBRRSA-N 461.372 1.775 30 10 JDEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282312442 WPXGSEGSAGUMFQ-AEFFLSMTSA-N 475.424 1.161 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2282328927 FLFCNOAGSMASLJ-OAQYLSRUSA-N 484.428 1.787 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282344100 JKNVKOOPHDGZRQ-DLBZAZTESA-N 482.408 1.634 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)n1 2282504287 MQZQYDYBLURDOT-OAQYLSRUSA-N 484.428 1.691 30 10 JDEE Cn1nc(C(=O)NC[C@H]2CNCCN2Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282551841 MJQYBRRZZQFTIL-QGZVFWFLSA-N 473.814 1.577 30 10 JDEE Cn1ncc(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)c1NC(=O)OC(C)(C)C 2282672467 JSCLRMGVSJNYSE-UHFFFAOYSA-N 458.328 1.786 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 2282853585 FWPPYWSKZFSEAD-OAQYLSRUSA-N 484.428 1.645 30 10 JDEE CC1(C)OB(c2cncc(S(=O)(=O)N3[C@H]4CC[C@H]3CN(C(=O)C(F)(F)F)C4)c2)OC1(C)C 2282868474 NYJYGPNCTMWUDW-KBPBESRZSA-N 475.298 1.307 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](CN(C)Cc1ccccc1)C(=O)O 2284475316 VMUOANHZUQPSOK-KRWDZBQOSA-N 456.352 1.343 30 10 JDEE COc1cccc(C=NNc2nc3c(c(O)nc(=O)n3C)n2C[C@@H](O)COc2ccccc2)c1 2328610832 MXEXCQTZHFZKDC-MRXNPFEDSA-N 464.482 1.730 30 10 JDEE COc1cccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NCc2ccco2)c1OC 2330748033 SSPDDNYBGIMITB-UHFFFAOYSA-N 472.527 1.815 30 10 JDEE Cc1ccc(S(=O)(=O)N/N=C2\CCCc3oc(C(=O)NCCN4CCOCC4)c(C)c32)cc1 40815130 VPMQPHRSHHLLNC-NCELDCMTSA-N 474.583 1.977 30 10 JDEE CCCNC(=O)CN1C(=O)/C(=N/NS(=O)(=O)c2ccc(NC(C)=O)cc2)c2ccccc21 59146898 WWNHGWZHZZOMJF-HIXSDJFHSA-N 457.512 1.200 30 10 JDEE Cn1c(=O)c(-c2noc(CCC(=O)Nc3ccccc3C#N)n2)nn(-c2ccc(F)cc2)c1=O 64888278 RZUPGVJTQQHLIQ-UHFFFAOYSA-N 461.413 1.563 30 10 JDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccc(OC)cc2)[C@@H](C#N)C(=O)N3)CC1 72444748 NFFTYHOMZHBOGL-IAGOWNOFSA-N 451.483 1.782 30 10 JDEE C=CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1C(=O)NC[C@@H]1C(=O)O 757541079 HSPLRNRFDVHWQC-JBACZVJFSA-N 463.490 1.785 30 10 JDEE CC(C)NC(=O)CN1CCN(C(=O)CSc2n[nH]c(NN=Cc3cc(Cl)ccc3O)n2)CC1 1084435407 JXAGNMNNEZOCAW-UHFFFAOYSA-N 495.009 1.371 30 10 JDEE N#Cc1ccc(N2CCN(C(=O)Cn3cnc4ccc(Br)cc4c3=O)CC2)cn1 1177113649 CRCJRFPJQBXMKQ-UHFFFAOYSA-N 453.300 1.774 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)c1 1187011185 AMVFLRXOJVSHPP-UHFFFAOYSA-N 451.517 1.145 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)NCC(=O)Nc2cc(OC)cc(OC)c2)ccc1F 1265715226 JKWQUSHKTIEZEX-UHFFFAOYSA-N 451.476 1.676 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1286350003 SCGNGAJICPROFR-ROUUACIJSA-N 496.634 1.470 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1286379880 DBXZTUYSGRJRHH-CQSZACIVSA-N 457.541 1.057 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1286390506 BLUPYFZCXRGOOX-IBGZPJMESA-N 473.628 1.627 30 10 JDEE C#CCN(c1nnc(COCC)n1CC1(N2CCOCC2)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286395757 NBZKRLLZSBVIKX-HXUWFJFHSA-N 479.647 1.476 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CN(C(=O)OC(C)(C)C)C1 1286404441 TXEIXGWKYDREFJ-UHFFFAOYSA-N 473.541 1.861 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(=O)NCC2CC2)CC1 1286485272 HRUOSDDTFCKODD-IBGZPJMESA-N 471.606 1.632 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2OCCC2(C)C)CC1 1286487208 DRTDAJYDAJWEOK-DVECYGJZSA-N 459.591 1.711 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1286516329 GCSROYKUPMQHQT-ZDPZECHZSA-N 476.578 1.364 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1286758235 HFRQJQPLHDAVBA-QGZVFWFLSA-N 476.603 1.613 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C1CCC(NC(C)=O)CC1 1286814729 VYDJWANPVPYCKZ-UHFFFAOYSA-N 489.602 1.410 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1286814736 VZEGJQNSXKFLHY-UHFFFAOYSA-N 480.635 1.389 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCNC(=O)CC1 1286814765 GFSKZLZUBWNPSI-UHFFFAOYSA-N 455.487 1.474 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1286815675 YQINPAVKZVSDJK-WOJBJXKFSA-N 462.572 1.939 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286817847 YQWHMAHDUCRUGF-UHFFFAOYSA-N 459.576 1.279 30 10 JDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C2CC2)CC1 1286832265 JDKVBHQSMDLKCS-QGZVFWFLSA-N 453.634 1.548 30 10 JDEE C#CCn1cc(CNC(=O)c2cc(S(=O)(=O)NCCOC)ccc2Br)cn1 1297370000 POOKTXMUYRHZLS-UHFFFAOYSA-N 455.334 1.134 30 10 JDEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nnc2n1CCCCC2 1299000076 GLCDRCHJHNUOFR-KRWDZBQOSA-N 477.573 1.913 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](C)N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1300502322 RXFUWEAZFSNZHB-LADGPHEKSA-N 498.697 1.716 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1300504877 VARFUKMJGYUVRR-QGZVFWFLSA-N 477.562 1.395 30 10 JDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1300705668 BQMDWINPLKGONT-OCOZRVBESA-N 489.580 1.354 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)COC)CC1 1300743597 VTLOIIOQTTWWMD-UHFFFAOYSA-N 477.612 1.010 30 10 JDEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1300745457 KOGZKVGVQSXBFH-UHFFFAOYSA-N 473.002 1.892 30 10 JDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1301129902 GRKRVZIPIDOVBA-FQEVSTJZSA-N 457.623 1.746 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1301492877 QIEGSOUIWCHRKL-XLIONFOSSA-N 470.574 1.421 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1301506999 SSKIUORBKDCRJT-UHFFFAOYSA-N 478.594 1.561 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1301507959 BVPQGDVTAIEUMH-GOSISDBHSA-N 478.601 1.950 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2ccco2)C1 1301593948 YOJPZWWEYUOBCB-IBGZPJMESA-N 460.560 1.911 30 10 JDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCN(CC)CC2)nc1 1358954566 MSYZXWODRAMEAO-UNMCSNQZSA-N 453.591 1.657 30 10 JDEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1358957100 PTNIWMXLQPGKPM-KRWDZBQOSA-N 490.387 1.626 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358958122 IBVMHXMEFVHHLP-GOSISDBHSA-N 459.528 1.785 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1358967281 HGUMBNNCICGQMJ-RQZFFVEVSA-N 478.640 1.869 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCS(=O)(=O)C1 1358967469 KZAOKSWCLSOPQR-FCHUYYIVSA-N 487.626 1.342 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OC(F)F 1358979390 KYFYVGWMEBQJSR-LJQANCHMSA-N 493.536 1.528 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)c2ccccc2)CC1 1359029152 QCSKPSLPHFVCMU-UHFFFAOYSA-N 479.566 1.155 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(OC)nc2OC)CC1 1359030295 SAUNXMFKNPEHSF-DEOSSOPVSA-N 470.574 1.534 30 10 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C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccnc(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1689987906 FEEBULCSZPUYET-MRXNPFEDSA-N 477.497 1.350 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1689993148 WRHVLIGFGOIITF-SFHVURJKSA-N 473.990 1.809 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(F)c(COC)c1)[C@@H]1CCS(=O)(=O)C1 1689993598 HRSPXMYUEFBRRK-LJQANCHMSA-N 489.573 1.361 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1689994432 XZXOGHZSOURGAK-QFIPXVFZSA-N 492.605 1.493 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCN1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1689997011 UGCCRTASKSYSBR-NRFANRHFSA-N 487.674 1.888 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCN2CC)CC1 1690152283 FTENXQMOUNTXPY-NRFANRHFSA-N 452.607 1.590 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1690154600 UATWMVJFIREOGE-OAQYLSRUSA-N 472.634 1.985 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1690175164 QSYNFSYUUBIEGS-FQEVSTJZSA-N 494.731 1.541 30 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457.600 1.683 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1705567141 VAIZBDOOWGMNFL-AABGKKOBSA-N 476.647 1.224 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1705568739 UOSWIXHIMIJRAV-ROUUACIJSA-N 461.519 1.340 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1705568905 XHVFOAFOQLHTET-DYESRHJHSA-N 450.536 1.784 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCc2cccnc21 1705612797 PEEBSDPZXKDTLA-OALUTQOASA-N 458.588 1.586 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705712440 UDABRFSUQNGWOM-NRFANRHFSA-N 450.561 1.914 30 10 JDEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCNC(=O)[C@H]1CC 1705828192 FXBNCLNSNOENSB-QGZVFWFLSA-N 461.592 1.546 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(C)CCS(C)(=O)=O 1705895815 SWYSHMWWWHZRBF-UHFFFAOYSA-N 456.366 1.491 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1705902625 IQHQUQCTDSVZJW-SFHVURJKSA-N 456.522 1.753 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H](C)C(=O)NC 1705931386 OFCDBNGQNBVXTE-GFCCVEGCSA-N 473.397 1.455 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCS(=O)CC1 1705931502 RJPCSVLZNBGEEC-UHFFFAOYSA-N 476.422 1.216 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C)CC1 1705936012 HUPDCZQGEXESCM-IBGZPJMESA-N 493.655 1.416 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1705946586 LMDRYKVDGNFKMO-BZSNNMDCSA-N 470.665 1.203 30 10 JDEE CCN1CCN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 1710301374 BQQAEXLXEAUZDE-JOCHJYFZSA-N 494.644 1.719 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)NC(C)C)c1 1722309779 PVHXRRYXLMJEIT-GOSISDBHSA-N 486.598 1.151 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1722365440 OEUNIFIIQADWDU-DYESRHJHSA-N 454.593 1.370 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1722367614 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C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722730880 GHGIFICLNTYKLX-UHFFFAOYSA-N 478.557 1.616 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722730937 IAUXTXRIUYQFHN-DLBZAZTESA-N 476.603 1.558 30 10 JDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)[C@H](C)C1=O 1723459354 GWCJYPXAJKQFKK-WIYYLYMNSA-N 499.641 1.934 30 10 JDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCCS1(=O)=O 1723768569 DQZRUUNOJOVPQB-HNNXBMFYSA-N 479.994 1.635 30 10 JDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(=O)(=O)Cc2ccon2)C[C@@H]1C 1726723377 CYIMQKYTVOBDJX-IRXDYDNUSA-N 485.570 1.929 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1729342190 BTZJFXKZLUHHAM-UHFFFAOYSA-N 499.622 1.732 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(CC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740617927 ZAXMAGHSDFGOHN-XXBNENTESA-N 480.631 1.764 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](C)N2CCOCC2)CC1 1740689892 KAFNLJVTFVWCFT-IBGZPJMESA-N 486.020 1.337 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1740705031 AZSZTABQKBYRHR-FGZHOGPDSA-N 493.612 1.507 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1740787757 JOGWTFVANNHRQQ-UHFFFAOYSA-N 483.616 1.023 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1CC)C1CC1 1740910155 KQEYEZMUPQNPKR-RTBURBONSA-N 452.625 1.640 30 10 JDEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740971654 SBVDLPOKGWTTGN-GOSISDBHSA-N 454.531 1.900 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1740990803 FWNSDSISAQRZNO-AEFFLSMTSA-N 459.572 1.833 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1740993627 BBJFOIAWLRPPGE-NRFANRHFSA-N 454.600 1.841 30 10 JDEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)OC 1744165266 DMBVVJNEJHIPNS-IBGZPJMESA-N 464.530 1.740 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1748809757 VZJPYVCDACETJS-IBGZPJMESA-N 484.582 1.794 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1748819325 MYWFJBHUFUOKHB-FIKGOQFSSA-N 494.564 1.825 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(CCOC)CCCC2)CC1 1749010121 NVWBFINGJSFFAU-IBGZPJMESA-N 456.591 1.792 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccco1 1749131011 PKKKENFOGOUFFH-NEWSRXKRSA-N 465.576 1.822 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(OC)C1 1749228894 FDIBYHPEVBCSIJ-PXNSSMCTSA-N 457.597 1.209 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)OC)CC1 1749739823 KMKYXEMZMLSMEZ-UHFFFAOYSA-N 473.555 1.719 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nc(C)no2)CC1 1749744929 QZDXJFZARXBOOG-ZDUSSCGKSA-N 455.610 1.883 30 10 JDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1CCS(=O)(=O)CC1 1750647222 IALOKHOFZHBDHB-INIZCTEOSA-N 458.592 1.603 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(C)OCCc2sccc21 1751213378 IDJMHIJZYBHPRS-AGRHKRQWSA-N 468.580 1.880 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760182258 DHQDAIGVJXNQSD-DENIHFKCSA-N 471.627 1.855 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCCN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1760190784 ZBWLLEILCGWNMO-FQEVSTJZSA-N 473.647 1.318 30 10 JDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1760234476 XDTNTRAFNGPSEY-LJQANCHMSA-N 466.590 1.407 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1760259074 GHRYXVAEEMKJQP-NRFANRHFSA-N 457.600 1.542 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1760433606 UYFAYXVYZMKEMY-KRWDZBQOSA-N 464.640 1.527 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](COC)C1 1760552736 ZEMXAJNGQOTJEG-QGZVFWFLSA-N 459.572 1.889 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCn2cccn2)c1 1766939869 CIYQOYIGVACNFY-GOSISDBHSA-N 470.559 1.211 30 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1.654 30 10 JDEE O=C(N[C@H](CS)C(=O)O)c1cc(I)cc(I)c1O 2026898374 DSTNFYHHKUTJKR-SSDOTTSWSA-N 493.060 1.714 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256624820 YNJDKHVJRYEPIL-CHWSQXEVSA-N 453.370 1.429 30 10 JDEE CN(C[C@H](O)CN(C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267188557 NXXGXNQDVFTBRS-CQSZACIVSA-N 452.361 1.019 30 10 JDEE C[C@@H](C[S@](C)(=O)=NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2267266559 QDMUQDMMGADXEW-HHAIEFTPSA-N 471.389 1.266 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@]23C[C@@H]2CN(Cc2ccccc2)C3)n1 2267471773 KFYKFWJWRLILIF-VGSWGCGISA-N 458.393 1.272 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCOC[C@@H]2CNC(=O)OC(C)(C)C)n1 2267493605 KTVNMKMGJWSDAV-AWEZNQCLSA-N 450.345 1.085 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](F)C[C@@H]2CNC(=O)OC(C)(C)C)n1 2267540603 TWMNKMPRMFEQFW-QWHCGFSZSA-N 453.324 1.192 30 10 JDEE CN(C[C@@H](O)COCc1ccccc1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267706734 DPGNVNDEYLDDIU-QGZVFWFLSA-N 482.433 1.782 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCCN(Cc2ccccc2)CC1 2267719295 AUTPNLDDJFOSRV-UHFFFAOYSA-N 461.397 1.011 30 10 JDEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCCOC1 2268628986 PENKKGFMVHZBLL-FQEVSTJZSA-N 468.385 1.519 30 10 JDEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)NCc3ncc(B4OC(C)(C)C(C)(C)O4)s3)[C@H]21 2268721527 MITRHKBYCBFNHO-ARFHVFGLSA-N 465.381 1.693 30 10 JDEE COC[C@]1(NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2281816321 XELFHBIOYATCDH-QFIPXVFZSA-N 464.372 1.475 30 10 JDEE COC(=O)C1(NC(=O)OC(C)(C)C)CC(NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2281993721 FYAVLZZEPLROFS-UHFFFAOYSA-N 481.380 1.771 30 10 JDEE CCn1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](OC)C2)nc1B1OC(C)(C)C(C)(C)O1 2282049428 ZENCBXRMBGTDGN-GDBMZVCRSA-N 464.372 1.566 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CN(Cc2ccccc2)CC1(C)C 2282329534 NWMXXMDDVULYNM-GOSISDBHSA-N 474.436 1.908 30 10 JDEE C[C@H]1CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)[C@@H](C)CN1C(=O)OC(C)(C)C 2282413662 IEOFCTCODGRALU-GJZGRUSLSA-N 484.428 1.738 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2282520957 URIDZYXRIVCMHX-CRAIPNDOSA-N 461.368 1.729 30 10 JDEE Cn1cc(C(=O)NCC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282553171 VVBDYNHTNYILAC-QFIPXVFZSA-N 464.372 1.211 30 10 JDEE Cn1cc(C(=O)N2CCO[C@@H](CCNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282576852 WOQJBKBLXBQDKI-HNNXBMFYSA-N 464.372 1.475 30 10 JDEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282716072 PCVUMLBUNAJGGJ-JOCHJYFZSA-N 450.392 1.927 30 10 JDEE C=CCC1(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CN(C(=O)OC(C)(C)C)C1 2282851373 ARGCSUOMWVHVTD-UHFFFAOYSA-N 482.412 1.563 30 10 JDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2283958355 YLWPJFWTELBRQU-MRXNPFEDSA-N 463.315 1.799 30 10 JDEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)nn1 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C[C@@H]1CN(C(=O)Cn2cc(NC(=O)N3CCN(c4ccc(C#N)cc4)CC3)cn2)C[C@@H](C)O1 1201453907 BCYNVEVRBHOUCX-QZTJIDSGSA-N 451.531 1.745 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CC[C@@H]2COCCO2)c1 1286309155 OUASHIHKPWCFTK-PXDATVDWSA-N 483.569 1.792 30 10 JDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286318719 YGSFITIRFJUQKK-UHFFFAOYSA-N 483.602 1.490 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286392020 HHYIIGIDINTXJD-VQTJNVASSA-N 477.631 1.985 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1286394702 JZHRXWFJVXGOQN-GOSISDBHSA-N 479.990 1.663 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1286454425 WWSSQJNHFFMKEA-JKSUJKDBSA-N 456.613 1.851 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(C)c2C)CC1 1286776309 RFZTYBYGROTBCX-FQEVSTJZSA-N 460.604 1.740 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286783995 SOFLVYVMZHNTQW-CQSZACIVSA-N 467.983 1.061 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1286787176 QIVJBMAYCOESEK-BGYRXZFFSA-N 494.644 1.577 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1286788690 CGDUIZBYPNWEOC-KRWDZBQOSA-N 480.573 1.754 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)N(C)C 1286971279 HGUYTFXQPQFLOL-HOTGVXAUSA-N 469.612 1.837 30 10 JDEE CC(C)C[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1287321263 DGZPFLWRVAJARL-UXHICEINSA-N 489.646 1.900 30 10 JDEE Cc1nn(C)c(C)c1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1290555830 FICHCUDADLDYGV-IBGZPJMESA-N 476.607 1.140 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCC(C)CC1 1300466153 UUAMPIZWFOZEEI-LJQANCHMSA-N 452.625 1.193 30 10 JDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1300482185 DIWROWHRRIUYBI-NVXWUHKLSA-N 467.979 1.726 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1300483382 LFIQILYQPKCDCX-XUZZJYLKSA-N 493.674 1.677 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 1300496277 PHCWMROUNDXGCR-CVEARBPZSA-N 468.626 1.225 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cc2c(cc1OC(F)F)OCO2 1300506225 PVLCOWSRXOGYGN-UHFFFAOYSA-N 457.437 1.965 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NCC 1300578868 ISCQIEHOUYRHEH-UHFFFAOYSA-N 459.554 1.817 30 10 JDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCCN2CCN(CC)CC2)CC1 1300707682 HPUCSFBNSMVELL-UHFFFAOYSA-N 467.666 1.313 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCc2nnc(C)s2)CC1 1300729261 SLVMHZHUBMCZIG-UHFFFAOYSA-N 470.603 1.159 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1300848262 BYHMLLASFQRORB-OLZOCXBDSA-N 467.411 1.102 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1301565324 GWDVUCFARXZFSS-HXUWFJFHSA-N 485.614 1.811 30 10 JDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1301612395 LVDUDLQCHNWNGK-SFHVURJKSA-N 462.620 1.362 30 10 JDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1301695796 DUJLSBJHFDHCRF-QFIPXVFZSA-N 451.575 1.722 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2cnc(NC(=O)OC(C)(C)C)s2)CC1 1302923944 GFGFFHZPDFGROG-UHFFFAOYSA-N 457.578 1.035 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCCOC1 1305785073 GWANTYKAAGKPJJ-ROUUACIJSA-N 481.605 2.000 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCN2CCN(C(C)=O)CC2)c1 1358904073 SYUKZYIEDSMXOM-JOCHJYFZSA-N 479.585 1.350 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1358956504 GUTOKQJQAGNXGF-HTAPYJJXSA-N 473.555 1.458 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1358957123 QBAPDPMQWJNPCI-OALUTQOASA-N 483.598 1.838 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)c1ccccc1 1359010011 DJZIMBAVKPDPGX-KRWDZBQOSA-N 450.586 1.504 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)N2CCOCC2)CC1 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C=CCNC(=O)Cn1c(N2CCC[C@H](n3nc(C)cc3C)C2)nnc1[C@@]1(OCC)CCOC1 1508097474 INJKWQSKAAZSPC-WMZHIEFXSA-N 457.579 1.887 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)Nc2c(C)cccc2C)C1 1508107882 CVHOXJTVDJBZMX-ROUUACIJSA-N 476.603 1.925 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCN2CCOC[C@H]2C1 1508149048 NZRVXSKEOFIZJF-QGZVFWFLSA-N 465.551 1.118 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1noc2c1CCCC2 1509951473 GUIDZYKFRJFQBG-RDTXWAMCSA-N 463.564 1.264 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1519221744 CIVBWVUSOAEQLL-UNMCSNQZSA-N 470.574 1.549 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1539201551 AJVFUGKNZQCJRN-HNNXBMFYSA-N 485.595 1.619 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1539203958 WRSDNSHNHVISGE-LJQANCHMSA-N 473.599 1.880 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1CCNc1nccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1539224382 GDFTYSIFEMFZIY-OAHLLOKOSA-N 483.520 1.778 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1539224929 KMQRUJXZOAQKPH-AVRDEDQJSA-N 455.540 1.391 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1539408900 HIGCBFZIFFUUNT-UHFFFAOYSA-N 498.609 1.899 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCS(=O)(=O)CC=C)CC1 1539430186 HPHRKQZLNMDNDJ-GOSISDBHSA-N 461.563 1.913 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCS(=O)(=O)CC)CC1 1539430778 NZUWYQVKINXMSS-UHFFFAOYSA-N 452.584 1.992 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCCNS(C)(=O)=O)CC1 1539441846 WXNMBESKADTBGP-UHFFFAOYSA-N 481.420 1.402 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H]2CCCCO2)CC1 1539467310 RCFYKPVIYKQETJ-IBGZPJMESA-N 465.558 1.850 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCC(=O)NC)CC1 1539489825 ORCDOYPINKPYKC-UHFFFAOYSA-N 454.600 1.981 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1539916181 HQLVGSHQIRDHQB-KGVIQGDOSA-N 483.635 1.598 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCCC1 1540170833 RGWIDBDCIWZHGM-SFHVURJKSA-N 452.625 1.664 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1540869185 DZCSCNQGCUZDBF-QGZVFWFLSA-N 465.562 1.779 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1540873757 ITDPENYBDGUCAH-KOSHJBKYSA-N 455.559 1.758 30 10 JDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1552708682 BYDKJQHUOZEEFE-UHFFFAOYSA-N 489.584 1.675 30 10 JDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1554478511 HTKGZQZNRLJFDS-GOSISDBHSA-N 495.506 1.564 30 10 JDEE CO[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1555197416 GTOZQTDHPRBYRZ-SIKLNZKXSA-N 468.558 1.885 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCN(c4ncccn4)CC3)n2CC(=O)NCC(F)(F)F)cc1 1555988435 BBIDNNDDAYEIJN-UHFFFAOYSA-N 471.447 1.612 30 10 JDEE C#CCN(C(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1)C1CCN(C)CC1 1558506999 MINADQIZKWNRSB-UHFFFAOYSA-N 451.549 1.249 30 10 JDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1564772168 PXLPGGYJAURNBA-NEPJUHHUSA-N 450.380 1.870 30 10 JDEE C=C(C)CN1CCC(NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)CC1 1585279179 MPGVLSOEAMGMRF-LJQANCHMSA-N 451.589 1.385 30 10 JDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1586736144 HIPMNCKNZOMIFL-RVKKMQEKSA-N 450.561 1.987 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCO2)c1 1587693372 RRXMQDKMGKOJKK-HKUYNNGSSA-N 457.556 1.415 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(C)(C)C)cs1 1587989780 OZMDXYPLBZLGCI-CQSZACIVSA-N 452.606 1.483 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1588054184 LHAJKYIZRKOYAH-QZTJIDSGSA-N 460.556 1.474 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1588070258 XPSQKXFMJKAJLR-AUSIDOKSSA-N 485.566 1.161 30 10 JDEE C#CCN(c1nnc(COCC)n1CC1(SC)CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 1588075180 ZUXQXMFQKCWMOR-KRWDZBQOSA-N 455.650 1.269 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCS2)n1 1588723201 KCHQYPDHCPHZGH-HKUYNNGSSA-N 478.644 1.559 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1588743338 ZQZKDJGRZRSMKS-HNNXBMFYSA-N 498.556 1.302 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(OC)c2)CC1 1588891338 NTPYHUDAXQSZKM-RUZDIDTESA-N 467.570 1.953 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCC(=O)N2CCCCC2)CC1 1588929432 AFTXPQYIMGESMY-FQEVSTJZSA-N 456.591 1.541 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc([C@@H](C)OC)n1 1589215650 CNVXIVJJLHUCRY-QLVMHMETSA-N 494.643 1.815 30 10 JDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1589608334 FWJOSXJJMUGGKT-FQEVSTJZSA-N 468.601 1.301 30 10 JDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1594820143 VMASIEONYQPQDF-QHCPKHFHSA-N 453.547 1.671 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1595497033 OBUPRYVMDMAKEC-UHFFFAOYSA-N 497.600 1.009 30 10 JDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1595569220 CJWNRUIJMBGOEZ-QUCCMNQESA-N 457.623 1.350 30 10 JDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C[C@@]2(CCOC2)O1 1612977725 HNJPROZOLDVUPN-HTAPYJJXSA-N 490.586 1.004 30 10 JDEE CN(Cc1ccccc1)C(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=Nc3ccc4c(c3)OCO4)S[C@H]12 1614399393 QKJKDAFIHGHXRN-XTRBZBHRSA-N 455.536 1.877 30 10 JDEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)N3CCN(c4ccccc4C#N)CC3)cn2)C[C@H](C)O1 1623183657 CYTXEUBWCVXISC-ROUUACIJSA-N 451.531 1.745 30 10 JDEE NC(=O)c1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1N1CCCCC1 1633507406 ADROYEKXPJPCRC-UHFFFAOYSA-N 455.540 1.843 30 10 JDEE C#CCN(C)CCCNC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1635738124 HKLSKYNNZXZQOZ-MRXNPFEDSA-N 454.312 1.429 30 10 JDEE Cc1c(Br)c(C)n(NC(=O)COC2CN(C(=O)OC(C)(C)C)C2)c(=O)c1C#N 1654530695 FSHODLJTZYTURO-UHFFFAOYSA-N 455.309 1.805 30 10 JDEE C#CC[C@@H](COC)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1666930221 OUZJVGVXVYERGC-KRWDZBQOSA-N 450.561 1.468 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCS1(=O)=O 1689852607 HZZIJEJLSILDQT-DLBZAZTESA-N 482.607 1.080 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@]2(C)CN(C3CC3)C2=O)c1 1689868361 DUPMSTITRKPSET-RUZDIDTESA-N 477.569 1.483 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1689982144 IRRHYXQKFLBVJZ-VGSWGCGISA-N 477.587 1.464 30 10 JDEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1689982876 WGDRNWWDDAVTEV-SFHVURJKSA-N 480.594 1.953 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689982926 XFLKBRLSZQNWNW-HCLVMJGWSA-N 453.568 1.995 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(C(=O)NCC)cc1)[C@@H]1CCS(=O)(=O)C1 1689992579 MFPBHEWIQVOSTA-HXUWFJFHSA-N 457.600 1.901 30 10 JDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@]1(N2CCOCC2)CCSC1 1690104608 BAXRIMFMBJMYSD-HSZRJFAPSA-N 456.616 1.558 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2SC)CC1 1690111722 ILZNMIVIRLPXOX-QGZVFWFLSA-N 462.645 1.722 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1690174978 NIRITGHZZCNWTF-QHAWAJNXSA-N 494.731 1.541 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN(CC)S(C)(=O)=O 1690195897 QVWZGUZTDVQBLT-YADHBBJMSA-N 467.636 1.982 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1CC1(O)CCS(=O)(=O)CC1 1690553751 GFRSQLQKTAYUGP-UHFFFAOYSA-N 491.614 1.557 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1690724960 ZPIMCQHQQKRHAE-VQTJNVASSA-N 494.639 1.229 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1690725484 RQPHMQYPCUAZIN-UHFFFAOYSA-N 471.587 1.412 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690726722 JQQWSTCGEINNPD-GOSISDBHSA-N 452.602 1.287 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCCN1CCCO[C@H](C)C1 1693839781 IFHHXDGUNSKTER-MOPGFXCFSA-N 489.646 1.897 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1705532385 MWQBZEBPMLDFEN-YADHBBJMSA-N 486.642 1.735 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCCCCC3)nc2)CC1 1705632539 STPFTTGGGFHBNX-UHFFFAOYSA-N 464.618 1.995 30 10 JDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1705659926 JJFSFEIXLFRXEC-IBGZPJMESA-N 488.639 1.497 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C(C)(C)C1 1705662340 WMERCHLUVPMART-IAGOWNOFSA-N 455.650 1.850 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1705685579 DFGKGLGNCKIZFT-INIZCTEOSA-N 482.427 1.518 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(OC)OC)c1 1705843845 PKMOVOASFVVIQC-GOSISDBHSA-N 465.576 1.573 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1705895996 ZMZLUOIEXUJBIF-GCJKJVERSA-N 484.601 1.812 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N1CCN(CC)CC1 1722275790 DFIQZWHKDYKMDD-UXHICEINSA-N 487.674 1.679 30 10 JDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCOC[C@H]1OC 1722355708 BETDJEWDQKLNMR-JTHBVZDNSA-N 452.603 1.764 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1722367951 YHIZNKGTLMLHKC-PNLZDCPESA-N 478.546 1.335 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1722370496 NYXAXLXQJAXPMP-WFXMLNOXSA-N 492.573 1.825 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)c1 1722384911 VRVPTYSAUSELAH-GOSISDBHSA-N 481.500 1.751 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(O)CCN(C)C2)n1 1722429022 FWWODLRXHPDMLP-XLGIIRLISA-N 499.660 1.746 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCSCCCO)CC1 1722444866 GXXKITCWXOTNDV-UHFFFAOYSA-N 471.583 1.755 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H](C)OC)CC1 1722445908 FCCVPRYDUWOEQS-MRXNPFEDSA-N 463.542 1.193 30 10 JDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(N2CCOCC2)C1)c1ccccc1 1722539592 ULTDREQBTUJLCB-CVDCTZTESA-N 474.631 1.903 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1722693470 PEBSEEXXDQVCLH-UXHICEINSA-N 457.531 1.649 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1722698092 BTTWZKHZXURLIR-LJQANCHMSA-N 472.615 1.719 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1722700364 GMAACVFFCVLURW-QGZVFWFLSA-N 455.563 1.917 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(S(C)(=O)=O)cc2)C1 1722715299 RXHXNBKTHYMSPP-PKOBYXMFSA-N 459.572 1.657 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1722731127 DYSOCNFYOYHKLU-WZONZLPQSA-N 487.582 1.714 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@]3(CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722731375 JIINOILSYXPXIV-RTWAWAEBSA-N 454.593 1.536 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1722739579 GGSDTHGKNQDLCB-MOPGFXCFSA-N 475.663 1.671 30 10 JDEE CC(C)CN1CCO[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)C1 1723477913 FYRYUSDHYAMYNS-FQEVSTJZSA-N 458.588 1.408 30 10 JDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)CN2CCOCC2)c1 1730022598 GRLNENSEFWBDTM-DYESRHJHSA-N 456.547 1.659 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740621676 YNMTUYAUKQPPHU-FUHWJXTLSA-N 479.006 1.341 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1740625955 JHDSYMSUJBIVRU-SFHVURJKSA-N 478.640 1.967 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1740696628 ZEFRPCFVWOVJIH-SFHVURJKSA-N 480.635 1.192 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2CCS(=O)(=O)CC2)CC1 1740698076 RGMYCKAQEVQZMN-UHFFFAOYSA-N 473.599 1.542 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCN2CCCO[C@@H](C)C2)CC1 1740706775 CDOZQHYXVANRAC-NRFANRHFSA-N 479.629 1.731 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740760145 OBGQQIUVGWOADC-RBBKRZOGSA-N 481.601 1.418 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N(C)C 1740921315 QGBXUNXFSQTQHV-IBGZPJMESA-N 494.593 1.421 30 10 JDEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCN(C)C1 1740934820 RORCZTOOTVGQSH-HSZRJFAPSA-N 451.531 1.820 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(OC)CCOC2)C1 1740974578 NYRBSFPPXALLSG-XMSQKQJNSA-N 462.572 1.935 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1740986258 UPZSVYJAOBUYNL-HXUWFJFHSA-N 468.668 1.234 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740987881 ZRGPPBWWRXLPMB-UHFFFAOYSA-N 481.022 1.410 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1740988460 FHDJPYHNIVLZLB-WOJBJXKFSA-N 462.572 1.939 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CCOC)C(=O)C1 1740995542 PEVVOGLLLZJOLH-IEBWSBKVSA-N 483.635 1.093 30 10 JDEE CC(C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1)N1CCCC1 1741316279 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C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCOC[C@H]2CCCO2)CC1 1760267976 IMMBADVDTYATCK-HXUWFJFHSA-N 452.559 1.892 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2c(CC)nn(C)c2OC)CC1 1760271566 CHQXSARGKUMVKC-UHFFFAOYSA-N 476.585 1.583 30 10 JDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(OCCN2CCCC2)CC1 1760272847 APUMGVUFULMSNP-UHFFFAOYSA-N 460.648 1.962 30 10 JDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760407680 KQJOYYNMHKGGNF-UHFFFAOYSA-N 457.579 1.044 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1760551833 SUDZKADWUPRLOF-UHFFFAOYSA-N 468.583 1.765 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccncc2)C1 1761544540 GMXGNQSPEIZIRG-WIYYLYMNSA-N 459.576 1.379 30 10 JDEE CN(C)C(=O)c1cccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)c1 1766844942 ICSWSVGOQHEJSK-PGRDOPGGSA-N 474.562 1.567 30 10 JDEE CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(O)CCO[C@@H]2C)c2ccccc2c1=O 1767161552 DLZOORNNACHZJZ-LNPFQXMTSA-N 451.531 1.811 30 10 JDEE N#Cc1cccc(NC(=O)[C@H]2CCN(S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)C2)c1 1858412607 JITXMFXVRCVOQF-INIZCTEOSA-N 452.492 1.861 30 10 JDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 1859012780 FYOOJTUKDICPDD-UHFFFAOYSA-N 461.452 1.624 30 10 JDEE C=CCN1C(=O)C(NCc2ccc(S(N)(=O)=O)cc2)=C(c2cc(OC)ccc2OC)C1=O 1863717304 HRONOHDMHLQNLC-UHFFFAOYSA-N 457.508 1.407 30 10 JDEE COCCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN1CC(O)C1 1870324052 RYTHWOYMNJQTBM-UHFFFAOYSA-N 458.540 1.111 30 10 JDEE C=CCn1cc(OCC(=O)Nc2ccc(OC)cc2OC)c(=O)cc1CN1CCN(C(C)=O)CC1 1870391565 OIWBCGNQXXXZKA-UHFFFAOYSA-N 484.553 1.733 30 10 JDEE C=CCn1cc(OCC(=O)Nc2ccc(C(=O)OCC)cc2)c(=O)cc1CN1CCN(CCO)CC1 1870705236 AWWLEXQQJWBJFI-UHFFFAOYSA-N 498.580 1.338 30 10 JDEE C=CCOC(=O)c1sc(NC(=O)COc2ccc(S(=O)(=O)N(CC)CCO)cc2)nc1C 1872720132 PFGOOJKSAVVFJL-UHFFFAOYSA-N 483.568 1.815 30 10 JDEE NC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccc(O)cc1 1874210357 ROFXXLKWNZRCCO-PKOLSWDWSA-N 450.524 1.959 30 10 JDEE Cc1nc(I)c(I)n1CC(=O)N(C)CCC#N 1941551540 HAVFDGMSKNYYSM-UHFFFAOYSA-N 458.041 1.773 30 10 JDEE C#Cc1ccc(OCCOCCOCCOCCOCCOCCN2C(=O)C=CC2=O)cc1 2060424259 MASYTOOZHLUFGB-UHFFFAOYSA-N 461.511 1.055 30 10 JDEE C=C(CS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO)B1OC(C)(C)C(C)(C)O1 2255794131 HTMOTVAEXJHTHJ-HOTGVXAUSA-N 460.402 1.711 30 10 JDEE CCC1(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CN(C(=O)OC(C)(C)C)C1 2267370890 SEDGRFJORAGBPP-UHFFFAOYSA-N 470.401 1.397 30 10 JDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H](CO)C1 2267371027 USOBOSXDPZSQOS-CQSZACIVSA-N 488.437 1.650 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267469882 BRMIGWFAVTUNOP-HIFRSBDPSA-N 488.437 1.865 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1COCCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2267714265 WFOGGURPENTEON-AWEZNQCLSA-N 488.437 1.962 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](F)C1CN(C(=O)OC(C)(C)C)C1 2282001225 YFNSXYOYMOPXHD-HNNXBMFYSA-N 466.363 1.963 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)n1 2282039634 YDJZJBXNVIJTGA-BMFZPTHFSA-N 462.356 1.083 30 10 JDEE CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282065975 FULPCOSYHMPWCQ-HUUCEWRRSA-N 464.372 1.474 30 10 JDEE C[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)[C@@H](CNC(=O)OC(C)(C)C)C1 2282173377 IIFPQWIWCAHRFX-HUUCEWRRSA-N 463.388 1.880 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 2282330245 XBFLBFCLTIMCPY-HUUCEWRRSA-N 484.428 1.691 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2282331221 KXJXBJRLMNONIU-OAHLLOKOSA-N 484.428 1.645 30 10 JDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282620460 FTNRYKFZRLTRCV-NRFANRHFSA-N 483.396 1.171 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2CC3(CCN3C(=O)OC(C)(C)C)C2)n1 2282628916 QVLPCKFPRWYBSM-UHFFFAOYSA-N 461.372 1.634 30 10 JDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC(NC(=O)C(F)(F)F)CC3)c(F)c2)OC1(C)C 2286121319 QXZAWPXSVRAGEH-UHFFFAOYSA-N 480.289 1.957 30 10 JDEE C[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@H]1CCCN1C(=O)OC(C)(C)C 2286862306 YAWFAODOFOVNLI-ZIAGYGMSSA-N 485.416 1.181 30 10 JDEE CC(C)(C)OC(=O)N1CC(Oc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 2317255019 INRJWQXGCKBMTC-UHFFFAOYSA-N 453.732 1.888 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)[C@@H](CC(N)=O)C1 2369381464 HRDHBKKOTPWYBI-ZDUSSCGKSA-N 480.396 1.379 30 10 JDEE COCCNC(=S)/N=C(/Nc1nc(C)cc(C)n1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 14160992 VZIABQIBSXYZSE-UHFFFAOYSA-N 485.614 1.929 30 10 JDEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)cc1O 21316644 IORQHSHEKHFMTD-AWQFTUOYSA-N 458.460 1.791 30 10 JDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCCC(=O)NCc2ccc(F)cc2)n[nH]1 59888191 ZZDLXWPABXNMQA-FSJBWODESA-N 460.539 1.994 30 10 JDEE COc1ccc(OC)c([C@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)c1 72444259 JBTQAXVFJGXYNS-DOTOQJQBSA-N 467.482 1.354 30 10 JDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cccc(Cl)c1 729668260 DORUSQUNGIUCAD-UHFFFAOYSA-N 493.976 1.856 30 10 JDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C)cc1 729668859 SHRPLULWAWBWQK-UHFFFAOYSA-N 473.558 1.511 30 10 JDEE N#Cc1cc(CN2CCOCC2)cn(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1=O 1166220661 AGJZJBQHTZMESW-UHFFFAOYSA-N 455.540 1.230 30 10 JDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1286386245 XDFNFKPOGBKPPL-ZWOKBUDYSA-N 456.634 1.915 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1286389201 ZAOIBGLACUFNGB-NZQKXSOJSA-N 484.651 1.881 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1286395762 UOOVEYCIGGIUBE-LJQANCHMSA-N 492.001 1.991 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCSC2)n1 1286471780 QQCFNTJQOPXTJR-HKUYNNGSSA-N 457.604 1.855 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1286607131 BKALNXKIKGOKGY-ZWKOTPCHSA-N 453.609 1.466 30 10 JDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)N1CCOCC1 1286722796 TYDMUFAOKFJQNO-UHFFFAOYSA-N 451.531 1.546 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ccc(Cl)cn3)CC2)nnc1[C@]1(OCC)CCOC1 1286793846 NOBSZFCYEYNZLZ-QFIPXVFZSA-N 475.981 1.607 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286823985 SMABRCHZHFFFIF-KRWDZBQOSA-N 478.550 1.153 30 10 JDEE CC(C)NC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1288201069 CFZOCRJOZFHBNL-SJORKVTESA-N 453.551 1.073 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1300481953 CWCLOXBGLSIHLD-KRWDZBQOSA-N 459.572 1.353 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300483348 KVYYJKZVYAJUBS-GHDARCQNSA-N 450.605 1.993 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cc(C)cn1 1300516946 VYLISUSGNRHWTP-UHFFFAOYSA-N 451.556 1.473 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)c1ccccc1 1300579551 WWFVOOFOHXNPCD-GOSISDBHSA-N 460.581 1.117 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1300663847 HCSHIWLRCWMJHQ-VQTJNVASSA-N 458.588 1.630 30 10 JDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1300777259 SLURPTYTBLHHQT-UHFFFAOYSA-N 479.628 1.704 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1nncn1C 1300876052 RHVAYKHADHVRLJ-NCOADZHNSA-N 464.596 1.340 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1300883537 CPKZQXDORQHXDI-AABGKKOBSA-N 474.606 1.674 30 10 JDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301207099 PZLHPDTXESVUEN-GOSISDBHSA-N 472.571 1.788 30 10 JDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1301272564 HYIKTTKYDMUCAW-ROUUACIJSA-N 462.620 1.780 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCOCC1 1301337343 DKXIJXRWWBQIHP-LJQANCHMSA-N 476.599 1.923 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1301506768 RVKXUCARWBJIIH-UHFFFAOYSA-N 454.556 1.606 30 10 JDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1301509236 DCMVKVUMOPNEFE-INIZCTEOSA-N 480.491 1.973 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1301514232 HDTJRNXIXRPZDZ-GOSISDBHSA-N 452.559 1.963 30 10 JDEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(=O)N1CCOCC1 1301615611 QLPJXAMUFIXQBV-UHFFFAOYSA-N 455.588 1.731 30 10 JDEE C=CCCCCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1312666385 WJBIVVJUAWNKEZ-UHFFFAOYSA-N 458.606 1.486 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1358959053 ATKJHFGXGINFMB-SFHVURJKSA-N 470.555 1.371 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN(C)CCOC)[C@H]1CCS(=O)(=O)C1 1358959510 KJOUNNGXBMCQHH-KRWDZBQOSA-N 466.995 1.198 30 10 JDEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1359160568 XRIRMKDITZMWTO-OAQYLSRUSA-N 454.593 1.415 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1359299744 MOACQGVRFWEAMC-IBGZPJMESA-N 469.546 1.364 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)nnc1[C@]1(OCC)CCOC1 1359305564 GZXYIAUWRLPRIG-QHCPKHFHSA-N 485.545 1.467 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1359330139 IKYZYPMFKFMFSH-LJQANCHMSA-N 495.671 1.962 30 10 JDEE C=C[C@@H]1OCCC[C@H]1NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1449893405 BTHYJJRDJCPDOP-UXHICEINSA-N 465.572 1.158 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)CC1 1455114463 DNOQNRKQPOICRS-UHFFFAOYSA-N 456.355 1.713 30 10 JDEE CC(C)CS(=O)(=O)N1CCC(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1478309286 AUOYASQGAFLHDZ-RDJZCZTQSA-N 457.597 1.495 30 10 JDEE COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(=O)OC)CC2)CC1=O 1504903657 BWLLGUQLGZPRDB-LJQANCHMSA-N 496.568 1.613 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCOC1CCCC1)[C@H]1CCS(=O)(=O)C1 1507623090 QTZYHRAYXHLLJL-SFHVURJKSA-N 463.604 1.490 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507626793 OQXWFFDAFKRQCE-WLENULPWSA-N 490.582 1.129 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507633497 GHRKJOKFTXKJET-LJQANCHMSA-N 461.563 1.407 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)CN1CCN(CC)CC1 1507665319 VJJYOSAQVRCVHS-JOCHJYFZSA-N 486.628 1.657 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCC(OC)CC1 1507671605 MWIRVNOKJISUDV-XVAXZDLZSA-N 477.631 1.669 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCc3ccccc3C2)CC1 1507733499 AQWWLIHVJBRGQE-UHFFFAOYSA-N 491.640 1.831 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1508072065 NRPKZOPKHDUVGC-UHFFFAOYSA-N 483.573 1.167 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(c2ncc(F)cn2)CC1 1508095735 ZZLHLASRQGKVJF-UHFFFAOYSA-N 480.548 1.977 30 10 JDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1508167955 QFJODYVREVMONN-UHFFFAOYSA-N 474.635 1.232 30 10 JDEE CC(C)N1CCC(O)(Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 1509554555 HCQYVHOSMYMLJS-HXUWFJFHSA-N 458.538 1.960 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CCCCC1 1509949406 CROAJMNMCZBROE-RTBURBONSA-N 464.636 1.954 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC(F)(F)F)cc1 1510217337 GVTJLQNQLBGMGH-WFASDCNBSA-N 474.465 1.564 30 10 JDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1515282773 CGZBQSMXSPFYAX-UHFFFAOYSA-N 473.603 1.545 30 10 JDEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)CC(N)=O)CC1 1515931061 DYAIOLHTYKBRCL-RBUKOAKNSA-N 452.607 1.790 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C)n(C)c2=O)c1 1539038105 LOZOYGMRWUBINA-UHFFFAOYSA-N 487.564 1.626 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539219464 CPCPNOLBLGHOKA-RFWXGWTQSA-N 458.584 1.707 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1c(F)cccc1SC)[C@@H]1CCS(=O)(=O)C1 1539221425 OKUZKWJLXXMPGI-RHSMWYFYSA-N 477.587 1.765 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1539482457 SZOIXMPCKATHCE-WMZOPIPTSA-N 468.524 1.632 30 10 JDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1539510212 GKOLRLOAJNPJAH-OAHLLOKOSA-N 465.601 1.776 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CCNS(C)(=O)=O 1539541409 HNAWYQOJVSFDAY-QGZVFWFLSA-N 455.382 1.587 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(S(=O)(=O)CC)CC1 1540872882 DQNLXNUHXBZGMQ-UHFFFAOYSA-N 452.606 1.340 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1540873098 MOYRHYPBEAMZFE-HXUWFJFHSA-N 450.547 1.285 30 10 JDEE CC(C)N1CCC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)CC1 1541620581 FERADATZSPUIAR-UHFFFAOYSA-N 497.644 1.732 30 10 JDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)Cc2cc(OC)ccc2Br)CC1 1561296846 XCMLUEYXMUBZTE-UHFFFAOYSA-N 458.378 1.045 30 10 JDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1589097432 OXJKCKFIXPZHJO-IBGZPJMESA-N 495.696 1.928 30 10 JDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1595837652 AAEDECRYVAPWCS-UHFFFAOYSA-N 450.609 1.411 30 10 JDEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)/C(=C\NCCOCCO)C(=O)C[C@@H]1C)C2=O 1615242949 QFWPDMARIIBIED-CJUBJIRQSA-N 453.875 1.332 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1N1CCOCC1 1619912589 HEVPQZUADPNEHN-FQEVSTJZSA-N 488.614 1.432 30 10 JDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNc2nccc(C(F)(F)F)n2)C1 1620346504 BZCRQUMHUFQLAE-GTNSWQLSSA-N 453.404 1.592 30 10 JDEE N#C[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC(=O)N2CCOCC2)CCO1 1620354452 FOQGPAJOYYFPPS-LBPRGKRZSA-N 467.349 1.357 30 10 JDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccc(O)nn2)CC1 1623494373 HSJGBLCFORZXLL-UXHICEINSA-N 452.490 1.725 30 10 JDEE C[C@H](CC(=O)NCC(C)(C)[C@@H]1COCC12OCCO2)/N=C1/NS(=O)(=O)c2ccccc21 1629674595 CXKNHZRSRZCYNW-PBHICJAKSA-N 451.545 1.036 30 10 JDEE C#CCN1CCN(C(=O)[C@H](Cc2cccc(Br)c2)[C@H]2CCS(=O)(=O)C2)CC1 1631503441 DYTJTKYMCIHZDU-PKOBYXMFSA-N 453.402 1.820 30 10 JDEE N#Cc1ccc(N2CC[C@H](C(=O)NC[C@@H](O)COc3ccc4c(c3)CCC(=O)N4)C2)c(F)c1 1635837131 CGMJKHYDNJYPRF-ZWKOTPCHSA-N 452.486 1.964 30 10 JDEE COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1 1660200838 ICMIPTXLRWXVEL-LJQANCHMSA-N 457.508 1.658 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1689980255 OVJCTNZOLBTNQR-JKSUJKDBSA-N 473.534 1.361 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCS(=O)(=O)CC=C)[C@H]1CCS(=O)(=O)C1 1689991643 AWKGJAZTKRWXBT-IBGZPJMESA-N 497.042 1.750 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1689996747 NMLGLTVKPKUNSJ-KRWDZBQOSA-N 477.562 1.491 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(N3CCOCC3)c2)CC1 1690134688 BMGRHFHDORSIBV-UHFFFAOYSA-N 493.612 1.267 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](OC)c2ccccc2)CC1 1690136222 BSFWENBALFUTHR-PXNSSMCTSA-N 488.614 1.242 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690159953 RLLTZUYEJHCUMH-KRWDZBQOSA-N 497.668 1.185 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1 1690237435 YXMNTIBFLWUTRF-HBFSDRIKSA-N 466.652 1.934 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C[C@H]1COc2ccccc2O1 1690678100 KXFFYMGSHWVWTG-FIKGOQFSSA-N 457.531 1.581 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1690709282 FJWWYULUTWUXDI-SFHVURJKSA-N 459.572 1.634 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1690726464 BCTIDJLSSBZPHP-KRWDZBQOSA-N 469.608 1.561 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705559766 BDJUMMSXUWPFMU-WOJBJXKFSA-N 472.571 1.820 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1705559771 BEQPOEIPXYUURR-QPPBQGQZSA-N 487.626 1.892 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1705561422 TXUDASDEIZZERU-RBUKOAKNSA-N 487.630 1.528 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1705570927 VNOAAKXUOTXWIP-WOJBJXKFSA-N 459.572 1.086 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC(=O)N(C)C)CC1 1705644860 DMHVHYHUUQUOCI-SFHVURJKSA-N 482.585 1.871 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCSCC2)CC1 1705645636 ZBWKNBWKYORKFJ-DEOSSOPVSA-N 490.674 1.333 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCOC(C)(C)C)CC1 1705645708 BGIVAQGVCKQVSM-UHFFFAOYSA-N 477.573 1.702 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CC1 1705651280 QJOLNSVFSPIAPO-UHFFFAOYSA-N 477.569 1.467 30 10 JDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1705656238 SNNZQGVLCVDNTD-GOSISDBHSA-N 465.587 1.640 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)[C@H](C)C1 1705706081 PFWUTYJDXZHFRG-GUXCAODWSA-N 458.588 1.918 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCN(C(C)=O)CC2)CC1 1705782229 RDAGRZHDYTYFKF-FQEVSTJZSA-N 480.635 1.272 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C(=O)NC)c2)C1 1705916346 OXKPYZAYLMKFEI-YJBOKZPZSA-N 462.576 1.078 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1705928378 DVMZTBNWRKKUHG-AUSIDOKSSA-N 476.599 1.805 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1705933760 QWDMZMVGCJQGTJ-UHFFFAOYSA-N 480.550 1.973 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1705937821 FWLZIPLURGVFMW-VQTJNVASSA-N 489.598 1.714 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(CS(C)(=O)=O)CC1 1706068321 IBYCVHUZXMFLER-HNNXBMFYSA-N 465.601 1.769 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCC2)C1 1710345821 HRKUVWOQQPECDD-LJQANCHMSA-N 457.604 1.819 30 10 JDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1711406560 IDRDEGFTNITYJN-UHFFFAOYSA-N 469.546 1.779 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC2(O)CCS(=O)(=O)CC2)c1 1722305842 VRQFQVSIRLDGKP-UHFFFAOYSA-N 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457.520 1.568 30 10 JDEE CC(=O)OC[C@H]1O[C@@H](O[C@@H](C#N)c2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 77312666 QTSUMWNLKZZILY-SPZHGEQOSA-N 463.439 1.351 30 10 JDEE in-vitro C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](Oc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204863933 HTAFXBIUFXRKIW-HOCLYGCPSA-N 462.356 1.669 30 10 JDEE CC(=NNc1nc2c(c(=O)nc(O)n2C)n1C[C@@H](O)COC(C)C)c1ccc([N+](=O)[O-])cc1 254477927 ZYNJRGMSYHBVKT-OAHLLOKOSA-N 459.463 1.366 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(F)(F)F)cc2)c(=O)n1C[C@@H]1CCCO1 520869587 MNNZFODVOOGTLC-KRWDZBQOSA-N 493.507 1.835 30 10 JDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 729332075 UNFZYDLWSJDDIM-QGZVFWFLSA-N 458.989 1.390 30 10 JDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)N(CC#N)c2ccccc2)[C@@H](C)O)cc1C 777284585 SYHDYQRXFCFROC-UTKZUKDTSA-N 459.524 1.431 30 10 JDEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)NC1CCN(C2CC2)CC1 857749955 KAEVOYBBYGIDIU-VWLOTQADSA-N 466.538 1.438 30 10 JDEE COc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)c(OC)c1 1084634010 BNOWJFDDIJXCNY-UHFFFAOYSA-N 474.547 1.804 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c1 1211230659 QYWQUZYDJBNWOY-IBGZPJMESA-N 455.602 1.618 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1286380896 JVQSBPARKUAINH-HOTGVXAUSA-N 460.585 1.448 30 10 JDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H](C)CN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1286382957 BRBVZNRZDIZCOE-NJDAHSKKSA-N 464.680 1.692 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCCn1cnnn1)[C@@H]1CCS(=O)(=O)C1 1286387280 CBWYUHLRRUWBRI-OAHLLOKOSA-N 495.396 1.955 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1286394202 HRSMDNOVQGPSEA-FQEVSTJZSA-N 482.614 1.664 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCOC1=O 1286402514 YAJWIIFHPUGOAD-UHFFFAOYSA-N 470.555 1.111 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@](C)(O)CCOC)CC1 1286491461 SLSANKHNFATXSQ-RUZDIDTESA-N 453.587 1.931 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCN2CCN(C)C(C)(C)C2)CC1 1286494529 VBOSORRPCBZHJM-OAQYLSRUSA-N 471.650 1.512 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC1 1286740829 XMFQBPTYHXEENN-PZJWPPBQSA-N 491.614 1.849 30 10 JDEE C=CCn1c(N2CCN(S(=O)(=O)c3ccccc3C)CC2)nnc1[C@]1(OCC)CCOC1 1286777540 FKSCCMBBHVXSSN-QFIPXVFZSA-N 461.588 1.936 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1286789675 JFXSPKYGXSYQIF-UHFFFAOYSA-N 471.612 1.960 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1286818158 UNBCJVUZVXBYJX-LJQANCHMSA-N 460.604 1.351 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccco1 1286820193 GUFWPHDBDKZFLZ-WMZOPIPTSA-N 499.615 1.146 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCS(=O)(=O)CC1 1286824051 UPIVYZKAHZFOME-UHFFFAOYSA-N 468.601 1.310 30 10 JDEE CCc1ccccc1OCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC(=O)N(C)C 1292614447 GDJKHWZOHUXMKH-UHFFFAOYSA-N 491.600 1.748 30 10 JDEE CCCNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1294810900 HEABSAGIWCTPMF-FQEVSTJZSA-N 495.584 1.330 30 10 JDEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c1 1294977139 ZVLFTJLTNLCAAT-UHFFFAOYSA-N 456.524 1.639 30 10 JDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1300382147 OIZURCVZFURUPG-NHCUHLMSSA-N 469.634 1.554 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300553981 WYYZXZDOHAHALH-GBESFXJTSA-N 490.630 1.403 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OC)c1OC 1300579018 RELJATOVQHVWQY-FQEVSTJZSA-N 487.582 1.139 30 10 JDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCCN2CCN(CC)CC2)CC1 1300708094 MTQRIXJGKNNXAH-UHFFFAOYSA-N 465.646 1.948 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1300725731 DCBKMSDBTWWRRQ-FQEVSTJZSA-N 466.561 1.889 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCNS(=O)(=O)Cc1ccon1 1300815753 BCESFAIRVJMIMK-HSZRJFAPSA-N 495.565 1.828 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccco1 1300989896 HEBHDOHLWBHHSI-FUHWJXTLSA-N 453.565 1.994 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nccs2)C1 1301258758 ZQGMYELWXIRPSF-JKSUJKDBSA-N 453.590 1.807 30 10 JDEE CC(C)N(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)C(C)C 1305119714 BJGIBUKQRHKXSG-MOPGFXCFSA-N 480.621 1.725 30 10 JDEE COc1cc(C)c(CN2CCN(C(=O)Cn3c4c(cc(C#N)c3=O)CCC4)CC2)cc1OC 1307402321 AOVPEPMSZQGOLK-UHFFFAOYSA-N 450.539 1.879 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1314674012 FCKYDMIOBWPRIP-LJQANCHMSA-N 488.614 1.730 30 10 JDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(C(C)=O)CC2)CC1 1316125099 FZBQHVTZLAPYHD-UHFFFAOYSA-N 451.575 1.844 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1cc[nH]n1 1358891769 MFMMTDVEJOIZPQ-NVXWUHKLSA-N 472.550 1.198 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCC(=O)N2)c1 1358900201 FCUBHSZKPVCXAC-LJQANCHMSA-N 465.558 1.531 30 10 JDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCS(=O)(=O)c1ccccc1 1358987184 VSHUWYRNAGIJDC-QHCPKHFHSA-N 456.568 1.867 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1Cc1ccccc1 1359024141 GCHZZMIDGCPNIL-YADHBBJMSA-N 471.627 1.931 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCSCc2ccccc2F)CC1 1359030526 XVGKSLUAZBKQNQ-KRWDZBQOSA-N 480.635 1.716 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCSCc2ccccc2F)CC1 1359030527 XVGKSLUAZBKQNQ-QGZVFWFLSA-N 480.635 1.716 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CCOC)CCCCC2)CC1 1359035952 JGPBTZXFYUVBJO-HXUWFJFHSA-N 463.648 1.922 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCCN2CCC)CC1 1359044908 RKFSHYLKDVCLQK-PMACEKPBSA-N 455.607 1.460 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1359045910 XTMUOGNXDXKBBD-RTWAWAEBSA-N 492.690 1.512 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCc2ccccc2C1 1359240267 KBNQJLOZMQHJNB-NRFANRHFSA-N 474.631 1.682 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359292836 YWWVGOWGOGYOGL-QGZVFWFLSA-N 495.005 1.177 30 10 JDEE C#CCN(C(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O)[C@@H]1CCS(=O)(=O)C1 1471172163 IQXNDVFNANGDRX-ZBFHGGJFSA-N 454.346 1.534 30 10 JDEE CCOC1CC(O)(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)C[C@@H](C)C#N)C1 1502956820 BOYKAAHJUSPMKN-GENZYMQKSA-N 476.603 1.721 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)N(C)C 1507512444 GUPINHFWZILORL-CQSZACIVSA-N 452.968 1.211 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sc(C)nc1C 1507539292 UINIUVNYTKMODL-BBRMVZONSA-N 452.606 1.385 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1507617562 VYUYUIWUJGZKOA-BRWVUGGUSA-N 451.593 1.895 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC(C)(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1507622042 ARRXUAQRLSYSEX-SFHVURJKSA-N 488.614 1.664 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(c2cccc(OC)c2)CC1)[C@@H]1CCS(=O)(=O)C1 1507622311 DPDMSABLGIOLCY-LJQANCHMSA-N 485.610 1.783 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1507630958 AHQXJRBCUAHJJF-PKOBYXMFSA-N 487.582 1.116 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1507635284 VQLNNPOMTDQBTM-INIZCTEOSA-N 479.553 1.642 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)CC1 1507734367 WNBWZHYHKBDFKR-PMACEKPBSA-N 470.597 1.713 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN2CCCCC2)CC1 1507739549 RFPIESPIBOGSMJ-PZJWPPBQSA-N 490.674 1.268 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)c2ccco2)CC1 1507741086 KUDQLKWMIGYRCT-WXVUKLJWSA-N 471.558 1.469 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1507774783 BXMQPKMNDRVEPE-LSDHHAIUSA-N 499.439 1.692 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1507806134 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C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 1588811199 CKKPCGYGCYPZBM-VXKWHMMOSA-N 470.643 1.547 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCC(=O)NC)CC1 1588923580 FPTXSWHEULVFOG-UHFFFAOYSA-N 460.542 1.233 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1589006255 CKCILEZPUGZYBM-PKOBYXMFSA-N 473.624 1.772 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1589495688 SQUXYTQSAWAMOJ-XEYPJELSSA-N 477.635 1.672 30 10 JDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1593736291 ZMPQYEJNCAAOCJ-HXUWFJFHSA-N 468.606 1.851 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1595536921 IZVOOSYZEHCPNZ-GOSISDBHSA-N 469.521 1.023 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1595545250 SWYWLBHGKCJBPJ-GOSISDBHSA-N 470.578 1.646 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1595551120 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C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCNC(=O)OC(C)(C)C)CC1 1690375225 DGVQEEZZBJMHGI-INIZCTEOSA-N 470.596 1.292 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1690465193 UYAHBMCHAKYHCW-AVRDEDQJSA-N 483.635 1.742 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1690526934 GMKBAYMSPFPCCI-IAGOWNOFSA-N 484.623 1.633 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccc(F)cc1 1690528015 WLAGWHGIKFVLME-MAUKXSAKSA-N 453.540 1.840 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2F)CC1 1690723877 CIQQQJAGWZXJTL-QGZVFWFLSA-N 464.567 1.634 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1690724247 KVOVMSDKCVYNLM-IRXDYDNUSA-N 455.581 1.835 30 10 JDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1690742197 JQAOFOJEYIHFQM-IHPCNDPISA-N 475.663 1.527 30 10 JDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCCC1 1692346401 DFABKNUPEYSFAH-KRWDZBQOSA-N 450.609 1.992 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCC[C@H](C)C2)c1 1705506719 GYLPAIKVXMQDBE-PZJWPPBQSA-N 498.653 1.968 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1705564612 DARVLJDCGBBRFT-QZTJIDSGSA-N 479.603 1.276 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1705581290 ZVDLIGKVIJPGOB-LJQANCHMSA-N 459.554 1.468 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1F 1705628280 BWVXOGOFLHLQPU-SFHVURJKSA-N 469.514 1.024 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)NCCOC)CC1 1705896744 WVLRWPOWDYEDRA-UHFFFAOYSA-N 451.531 1.098 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705897516 NNZVZGFOPJEEHW-QZTJIDSGSA-N 461.588 1.960 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1705901421 LCYQHIMCLAJRTB-IAGOWNOFSA-N 489.374 1.872 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1705919635 HREVWQKIXRAPQL-HSALFYBXSA-N 491.614 1.517 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1705937353 RAOIQYXGMMBBCF-VQTJNVASSA-N 457.600 1.912 30 10 JDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1705939195 AKPUMBPDCVWOIH-HZPDHXFCSA-N 456.638 1.399 30 10 JDEE CC(=O)N1CCN(CCn2c(N(C)Cc3ccc(C#N)cc3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1706004420 MJUUQJDNTQRICA-AREMUKBSSA-N 495.628 1.991 30 10 JDEE N#C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1712882842 HDBIRPGAAIQWQD-CZUORRHYSA-N 466.361 1.871 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(CO)CC2)cc1 1722276810 KDJBMLJEPVNVFZ-MSOLQXFVSA-N 474.631 1.603 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-c2ccsc2)nc1 1722353464 WRSDGEQKWXWLME-IBGZPJMESA-N 472.596 1.852 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722361671 ITNOOXUDNJUDOE-PTSWNOGYSA-N 465.963 1.160 30 10 JDEE 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1.438 30 10 JDEE C/C(COc1ccc(Cl)cc1Cl)=N\Nc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O 504687849 CJQACVUJEJELMU-CRQSZRLYSA-N 498.327 1.194 30 10 JDEE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 726276881 DBYHBMOETBBWKK-XZSXMJNUSA-N 478.619 1.564 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccc(F)cc3)c2)c(=O)n1C[C@H]1CCCO1 728557649 OPBMVYRAUKJFPT-LJQANCHMSA-N 479.537 1.219 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1OC 729670490 HDWLNMYJCUWLPJ-UHFFFAOYSA-N 457.515 1.361 30 10 JDEE Cn1c(CC#N)nnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1166122669 IFBAZYSCHDWNFL-UHFFFAOYSA-N 454.965 1.160 30 10 JDEE C=CCc1ccc(OCC(=O)N2CCOC[C@@]2(CO)CNC(=O)OC(C)(C)C)c(OC)c1 1167017174 QAKIFNBFGVQWNK-QHCPKHFHSA-N 450.532 1.917 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCCC)CC1 1286350340 ZYWADYAZAQGFSF-MOPGFXCFSA-N 453.609 1.810 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCNC(=O)c1cc[nH]n1)[C@H]1CCS(=O)(=O)C1 1286387420 DMTUTTRMQZQXIS-IBGZPJMESA-N 481.582 1.287 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1286394778 KJVDERQDAXXNFJ-WAOWUJCRSA-N 463.604 1.088 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1286425476 ZNVKYNRCLZIOQM-HSZRJFAPSA-N 472.567 1.365 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(O)CCOCC2)CC1 1286479153 GBJSLMFFSPYUPD-UHFFFAOYSA-N 488.633 1.689 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(Cl)c2)CC1 1286486832 QAEWZBQTCMYHHT-OAHLLOKOSA-N 479.006 1.556 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCS(=O)(=O)NC(C)C)CC1 1286488336 MUODNJKWTVJIJV-UHFFFAOYSA-N 493.033 1.892 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCC(F)(F)F)CC1 1286491372 OXECCACFZVZKHP-UHFFFAOYSA-N 480.466 1.652 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1N(C)C 1286522675 NFWIKULNNZMOFG-SIKLNZKXSA-N 473.603 1.112 30 10 JDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1286619507 BECGBQGBVBZXEN-UONOGXRCSA-N 463.004 1.992 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNC(=O)Cc2cccc(F)c2)CC1 1286651706 IXYHHKWISCGCNQ-MRXNPFEDSA-N 478.594 1.789 30 10 JDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CNC(C)=O)CC1 1286672525 NXTHHBJOQGEDQY-LJQANCHMSA-N 482.651 1.566 30 10 JDEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1286743968 ZHPNOKACEFDLOH-PKTZIBPZSA-N 476.599 1.672 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1286768191 UMJNDYQSUAAEDQ-DEOSSOPVSA-N 467.574 1.380 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](C(=O)NC)C1 1286821687 SDCCSVGCGSBFIF-SFHVURJKSA-N 461.588 1.441 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CCS(C)(=O)=O)c1 1300331304 IEDRVAVJUNQSBD-HSZRJFAPSA-N 489.598 1.420 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1300487173 HHSBADKQRZCYMY-HNNXBMFYSA-N 454.549 1.146 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1300491359 HJWIHVLTWFCCCR-DLBZAZTESA-N 476.603 1.363 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1300492285 MMPOXYWFSQFJTE-LSDHHAIUSA-N 456.528 1.256 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCCN(CC)CC)CC1 1300721889 BXEOHYGADBEJKJ-UHFFFAOYSA-N 469.590 1.704 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)nc1 1300805949 LWXCMKSLOSZIOZ-PGRDOPGGSA-N 473.603 1.112 30 10 JDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1300848670 HLIXUOHXAYNHJP-KRWDZBQOSA-N 495.422 1.631 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1301067154 XDTQGDVEQXPPSI-QGZVFWFLSA-N 460.604 1.989 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1301222771 FRZBUGYAWLTPJI-RBUKOAKNSA-N 463.608 1.924 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1301351044 HKXKUZBMHOOVJV-UHFFFAOYSA-N 474.562 1.950 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(C)(C)CN1CCOCC1 1301485553 YAUNLVSZJLMIRT-UHFFFAOYSA-N 451.575 1.914 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1301489925 GYXAJMNUSCSAKH-UHFFFAOYSA-N 452.519 1.582 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](C(=O)NC)C1 1301576746 BCDUGIFDNXXLFS-INIZCTEOSA-N 461.544 1.237 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)C1CCC2(CC1)OCCO2 1301586485 GYJOOYQCYFIHAF-UHFFFAOYSA-N 461.588 1.987 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](COC)C1 1301586900 VKVBAFPOEUOQKI-OAHLLOKOSA-N 474.543 1.046 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CCOC1 1301586956 WGSNLJVCNBESIS-KRWDZBQOSA-N 486.598 1.748 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)C[C@@H]1C 1301927507 HXIHMBINVXWNCC-IBGZPJMESA-N 470.574 1.427 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@](C)(CO)c2cccc(Br)c2)cc1 1304757325 LAPHCVUKFPECRO-LJQANCHMSA-N 451.342 1.998 30 10 JDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1314561172 ADPZLXBBMAVEEJ-INIZCTEOSA-N 462.576 1.672 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](N1CCOCC1)C(F)(F)F 1358885146 DRYBHBFGBIKSPE-QAPCUYQASA-N 489.502 1.913 30 10 JDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1358952485 MTGJVCAOVBQVFF-OAHLLOKOSA-N 456.494 1.602 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1358967457 KURQATIBWWDJHS-FBAVSBLXSA-N 452.621 1.984 30 10 JDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCN1S(C)(=O)=O 1359007078 UGRVWEIUFHULJJ-MRXNPFEDSA-N 479.632 1.122 30 10 JDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCc1cccc(C(=O)NC)c1 1359023510 MREMRUJOGLHYCU-UHFFFAOYSA-N 464.526 1.694 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCC(=O)N(CC)CC)CC1 1359043335 QINZPGLBTXGEIJ-UHFFFAOYSA-N 451.575 1.955 30 10 JDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1359053656 UHOBJFAGWKTALV-UHFFFAOYSA-N 458.613 1.949 30 10 JDEE C=CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1359218035 VPNYJBSJOOLDHB-UHFFFAOYSA-N 456.566 1.955 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)c1ccccc1 1359272230 NPQMJBUXTUUJQS-KRWDZBQOSA-N 450.586 1.833 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1359302807 UZJGEOUPUUTPJE-UHFFFAOYSA-N 460.517 1.903 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1359332278 UHQVJYLSQFTOSE-LJQANCHMSA-N 489.598 1.441 30 10 JDEE C=CCN(C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1465152584 MCDQONPFRJPRHI-HNNXBMFYSA-N 459.590 1.933 30 10 JDEE CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)c1=O 1502233565 BZYXXZXAVOUBLF-IBGZPJMESA-N 452.540 1.670 30 10 JDEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCCN2CCC(O)CC2)c1 1505313650 CHFWQMWMAQQNFH-UHFFFAOYSA-N 467.574 1.134 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)NC(C)C)c1 1507551109 AOUHHGBLDJSOLY-LJQANCHMSA-N 474.587 1.514 30 10 JDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1507591604 MAPXETYKWNWOCP-CTNGQTDRSA-N 452.559 1.205 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1507622717 LHZNRYBILCPLEJ-QGZVFWFLSA-N 472.571 1.369 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1507624755 DDKAJYDZIKBYBE-RXVVDRJESA-N 475.527 1.286 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1507625105 GIBMIHHWMQGCQX-JTSKRJEESA-N 496.536 1.979 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 1507638083 DIKVZJYDZBMORR-OAQYLSRUSA-N 469.611 1.887 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1507639014 IRFUDLCRDYYBPT-LJQANCHMSA-N 483.598 1.760 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)C1CC1 1507653268 MFDZBJNTTNNODF-YADHBBJMSA-N 467.595 1.878 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nc(C(F)(F)F)cs2)CC1 1507722436 XARYFIBKDVYGGH-GFCCVEGCSA-N 477.538 1.167 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)c2cc[nH]n2)CC1 1507742223 CRFYLCGTBHGABC-UHFFFAOYSA-N 496.522 1.266 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1507845003 VDRZEDNVYJYZME-LXGFNABISA-N 454.593 1.546 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507847970 FRGPPZPLFAPAKY-WOJBJXKFSA-N 488.633 1.717 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCOCC1 1507998995 KGGDGNVYERHTID-JOCHJYFZSA-N 484.626 1.967 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCC1 1508024157 JUVPELMTFZVEKL-FQEVSTJZSA-N 475.615 1.761 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1508077400 NASQCFIROLVQOK-HXUWFJFHSA-N 465.558 1.576 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1508081499 ZRITUHJPJJKMBZ-UHFFFAOYSA-N 468.949 1.597 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1508084794 PPGWHYFKMKIZRK-UHFFFAOYSA-N 451.575 1.795 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1508084973 RLBMXQOKLDZRCN-UHFFFAOYSA-N 451.556 1.590 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1508114683 MOXAFXFBYZMBBS-JQVVWYNYSA-N 483.635 1.382 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1508129869 DNURDOWGCZPFGT-ZACQAIPSSA-N 463.608 1.897 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1508132986 AQHNHRBZJNOJAY-NRFANRHFSA-N 484.626 1.966 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1508140300 HSEFHHJQEUJMNS-IBGZPJMESA-N 471.587 1.366 30 10 JDEE CC1(C)CCCN(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)C1 1510311573 CPNCOTBNQICMQD-DYESRHJHSA-N 483.614 1.175 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1538970622 DCMJJJFFJJKDHI-INDMIFKZSA-N 453.609 1.664 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539206963 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459.526 1.093 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)c3ccc(F)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1508099147 VCTSNJJVZMZOJU-DEOSSOPVSA-N 486.548 1.334 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1508142238 RLUGSHKMTMKXRJ-OALUTQOASA-N 468.620 1.795 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](NC(C)=O)C1 1508144767 GOAWDQARXLXGCA-MRXNPFEDSA-N 467.542 1.853 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1508162519 QZEZMAYOKIBPMU-DLBZAZTESA-N 489.689 1.104 30 10 JDEE Cc1nc2ccccc2n1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1511580574 BWTJEYRSTXLNIW-OXQOHEQNSA-N 486.602 1.708 30 10 JDEE CCNC(=O)c1ccc(Cn2c(CC)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 1515985860 BRDKPMBOFBPLLC-UHFFFAOYSA-N 461.574 1.879 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](COC)C1 1516824071 AGUPQFCHNXADKS-LJQANCHMSA-N 462.576 1.340 30 10 JDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1517034128 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452.515 1.159 30 10 JDEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)N1CCOCC1)C1CC1 1595020326 CXUDSORDSXZVBR-UHFFFAOYSA-N 458.950 1.875 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1595607265 CMUYNKGFKURENI-BQFCYCMXSA-N 462.576 1.647 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1595765465 BCLDYVPQRNDLAD-GOSISDBHSA-N 461.588 1.859 30 10 JDEE C#CC(C)(C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1628013459 YEWZNEKYSQBSOV-UHFFFAOYSA-N 455.964 1.490 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(F)cc2F)CC1 1640201538 JOVBWZPTQUNCNK-LJQANCHMSA-N 450.486 1.424 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(C)(C)O)c1 1689871854 HFVBSBMJYBFIEZ-QGZVFWFLSA-N 459.572 1.397 30 10 JDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CC(=O)N1CCOCC1 1689910907 TZSWVGGIWKPLMI-UHFFFAOYSA-N 458.950 1.570 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](OC)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1689977809 DEQTZYZSKYUVIK-MOPGFXCFSA-N 477.562 1.570 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1689979792 HIVWASVRIPSIMJ-DLBZAZTESA-N 498.602 1.619 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689982198 JFVSPIUYDYUUAC-QIJUGHKUSA-N 466.604 1.372 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc([C@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1689987721 BEOSJBBGZHLJOJ-QFBILLFUSA-N 452.540 1.463 30 10 JDEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1689988706 UUCZXIUVDBDODD-QGZVFWFLSA-N 484.582 1.338 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(COC)c1)[C@H]1CCS(=O)(=O)C1 1689988887 YDAOSYIMKHYTKG-IBGZPJMESA-N 452.540 1.557 30 10 JDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(S(C)(=O)=O)CC1 1690046808 HDIBOFSDECKODT-UHFFFAOYSA-N 467.599 1.492 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(C)CN(C2CC2)C1=O 1690088677 SRKAFWWUUBQVLA-MWTRTKDXSA-N 488.589 1.678 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCSC1 1690101252 UQYGUKJRMQBCAY-JOCHJYFZSA-N 454.556 1.146 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(O)cc2)CC1 1690146185 HSSIYIHZWWXOBG-IBGZPJMESA-N 471.583 1.094 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](CC)N2CCCC2)CC1 1690150893 ZMVFYOLCDCMPLT-FQEVSTJZSA-N 455.607 1.241 30 10 JDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690225709 ISFQQEFQCUYYOO-AWEZNQCLSA-N 463.340 1.354 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cncn2)C1 1690235624 BQHDCYRHRUJIGQ-TVFCKZIOSA-N 464.596 1.303 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCCO1 1690245049 CCMQQFABEFPORH-WCIQWLHISA-N 483.635 1.598 30 10 JDEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1690275978 BFFKJJNDLWZCBJ-KRWDZBQOSA-N 495.675 1.888 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)c2ccsc2)CC1 1690411209 HUWBBWGEPMOPRO-GHTZIAJQSA-N 481.644 1.983 30 10 JDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690476908 TYRPTAFDLFIXNL-UHFFFAOYSA-N 478.561 1.060 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCC2(CC1)COC(=O)N2 1690676760 CJEPUMKRKYAWLB-UHFFFAOYSA-N 470.530 1.637 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C(N)=O)C1 1690715142 DTNDTYRXEWARCS-GJZGRUSLSA-N 451.524 1.470 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1690724248 KVOVMSDKCVYNLM-SJORKVTESA-N 455.581 1.835 30 10 JDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NC1CCCCC1 1705545251 UPKDSSDPWKAQLO-UHFFFAOYSA-N 458.588 1.714 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(N(C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705567740 YUAXDWOGYFHGPU-RTBURBONSA-N 465.620 1.257 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1705570537 OCUSFRCMOMGJSI-FGZHOGPDSA-N 472.611 2.000 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(F)c1 1705612320 DXWQHLJSWUFWND-GOSISDBHSA-N 451.524 1.289 30 10 JDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCN(C(=O)OC)CC1 1705622234 BRSLQTYTJSKLOM-QHCPKHFHSA-N 463.579 1.883 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)Oc2cccc(C)c2)CC1 1705632853 CRBOAMUDNYZAAW-RBUKOAKNSA-N 460.604 1.419 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCS(=O)(=O)CC)CC1 1705639092 FZDMAZAEPSKYEF-UHFFFAOYSA-N 494.662 1.583 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCC[C@H](O)C2)CC1 1705645176 NBVNAUKSMAUGLT-WXVUKLJWSA-N 459.591 1.447 30 10 JDEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1705691202 BICQCPAPHPYJGW-QWHCGFSZSA-N 465.377 1.893 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)CN2CCCC2)CC1 1705768828 BBNBJGIWQNYZQQ-RBUKOAKNSA-N 452.625 1.499 30 10 JDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1705831722 AMJIMQFMMMSZCV-UHFFFAOYSA-N 456.522 1.986 30 10 JDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1705944180 XESZYSFEACCPMP-LJQANCHMSA-N 475.663 1.673 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)C)C1 1705946900 UQSFFXVMJOBRKA-IAGOWNOFSA-N 459.638 1.391 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cccnc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1710899372 HHGNRDYERURYMM-UHFFFAOYSA-N 494.625 1.863 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2COCCO2)c1 1711018013 HRZUIZLHZDXEAH-OXJNMPFZSA-N 464.523 1.053 30 10 JDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)C(C)(C)C 1711234735 COFOUUBPTIQHAF-UHFFFAOYSA-N 453.590 1.511 30 10 JDEE COc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c(OC)c1 1711811081 GDVGHRIUJMIBIH-VLIAUNLRSA-N 466.539 1.590 30 10 JDEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722311839 LNGUNBFVLZHUSB-UHFFFAOYSA-N 480.569 1.693 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(C(OC)OC)c1)[C@@H]1CCS(=O)(=O)C1 1722358246 FIGQFOLMWKCTGZ-LJQANCHMSA-N 489.598 1.383 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccc(C=C)cc1)[C@@H]1CCS(=O)(=O)C1 1722359928 XOFKYKYLKPEJGN-HXUWFJFHSA-N 455.584 1.929 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C(C)(C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1722365348 DJRPDINSPFNJBU-MOPGFXCFSA-N 471.583 1.132 30 10 JDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1722366287 HTEFEZDTHLRMFF-QKLQHJQFSA-N 460.556 1.700 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCN(C)C(C)(C)C1 1722374705 CDWFGMXIXPWVAU-UHFFFAOYSA-N 468.627 1.447 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1722429021 MDVOETLPGGPTSM-GFCCVEGCSA-N 494.927 1.720 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1722440307 CDNSWKPPMWJZDS-OALUTQOASA-N 465.558 1.706 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722493407 YCDOODQVABNIPD-LNLFQRSKSA-N 489.602 1.425 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722554756 HHUWQUAZHQMVQG-MRXNPFEDSA-N 469.999 1.477 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1722698758 LVBBATQTWFVNEV-FXAWDEMLSA-N 468.558 1.786 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)OCC)CC2)cc1 1722701909 AKJXGLMPRCYKSQ-QGZVFWFLSA-N 492.602 1.780 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1722702471 LAOSGGXOSOSVFL-JTSKRJEESA-N 488.564 1.779 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722725587 OFTPPPAESVCDGD-UHFFFAOYSA-N 490.605 1.429 30 10 JDEE CC(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCNS(=O)(=O)Cc1ccon1 1723188135 AIHGYPXOHNWCSM-UHFFFAOYSA-N 498.613 1.703 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ncnn1-c1ccccc1 1723940093 AQPMHBYRQACXKU-KKSFZXQISA-N 469.575 1.647 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1740592327 VTDOUCHDGQFLAS-NJYVYQBISA-N 490.674 1.411 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1740623778 APMMHPGWEVABRU-LJQANCHMSA-N 464.613 1.125 30 10 JDEE C#CCN(c1nnc(CC)n1CCCN1CCN(c2ccncc2)CC1)[C@H]1CCS(=O)(=O)C1 1740624611 ILPPANXKKXQXFE-NRFANRHFSA-N 471.631 1.075 30 10 JDEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1740627648 RQRQVHJTDSNRSK-YLJYHZDGSA-N 474.583 1.968 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccc(Cl)cc1 1740640868 YCNJJYRWJDBMMR-FXAWDEMLSA-N 492.001 1.805 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2cccc(Cl)c2n1C 1740671182 ASBZIXVFUXLSAL-KRWDZBQOSA-N 492.005 1.659 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCOCCOC)CC1 1740695487 SVOANVUBNNFHNV-UHFFFAOYSA-N 465.558 1.093 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1740751246 ZWDGXXOXNVGNDH-CTNGQTDRSA-N 481.601 1.823 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740760147 OBGQQIUVGWOADC-UNMCSNQZSA-N 481.601 1.418 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1740810546 DNAYYKXAYQKGFC-SFHVURJKSA-N 463.991 1.824 30 10 JDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2CCOC[C@@H]2C1 1740996620 GAKYCWZXWGASSE-SFHVURJKSA-N 463.629 1.789 30 10 JDEE CCCN(CC)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1745610847 AGFHGDYXEQTKPC-LJQANCHMSA-N 451.579 1.554 30 10 JDEE CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC1CCOCC1 1747664364 ARXIJEYYJHKYQR-UHFFFAOYSA-N 454.531 1.450 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1748803120 VGSWZTYKAUAMML-LJQANCHMSA-N 471.583 1.528 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1748809995 YIPLQIXRCOGGFX-QUCCMNQESA-N 487.626 1.931 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccc(CC)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748815310 OMAANXZFGJSJQE-FSSWDIPSSA-N 498.653 1.721 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748817393 JZZRLNVCDMRSQX-HOTGVXAUSA-N 463.526 1.293 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccc(C)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748821309 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474.569 1.327 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@]2(O)C[C@H]3CC[C@H]2C3)C1 1286800470 LOGWVCPVYOULBN-HQMXNFIDSA-N 453.609 1.611 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ncccc2F)C1 1286810978 YJGGYZPNMFGFQH-HZPDHXFCSA-N 451.524 1.575 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cccc(-n2cncn2)c1 1288802826 CYVOWESVMGBLML-HNNXBMFYSA-N 455.548 1.257 30 10 JDEE Cc1noc(C)c1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1290936314 HBLKBZCBZHNXAD-XLIONFOSSA-N 463.564 1.394 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(F)F)c(F)c1 1300307902 JVWHASQVEFWEAN-SUMWQHHRSA-N 487.504 1.858 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCn1cnc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1300479886 UIJGJDOZCZRWDX-GOSISDBHSA-N 483.598 1.483 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1300498168 ICVAGWDRNRRTLD-VWPQPMDRSA-N 488.610 1.556 30 10 JDEE 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450.337 1.890 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1507791570 NFSBFDDMWQDWLF-ICSRJNTNSA-N 494.662 1.746 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCC(N)=O)CC1 1507800938 ZSDHKWKSIHKCFH-GGPKGHCWSA-N 465.620 1.643 30 10 JDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1507842101 COHATEUZXCKGFT-LJQANCHMSA-N 468.606 1.897 30 10 JDEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507944489 RVGQXEJBDXOZIB-UHFFFAOYSA-N 459.982 1.941 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1508071724 LNNRKFHAWFEHQO-UHFFFAOYSA-N 459.501 1.421 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1508077719 ZUYURBWHWKJAFX-INIZCTEOSA-N 470.603 1.485 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1508131017 KAGIUDIHUCIODD-QGZVFWFLSA-N 477.591 1.265 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1508134939 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C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1722371509 JPEZGELRYLOQSZ-LJQANCHMSA-N 465.539 1.137 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2c(CC)cccc12 1722384684 RVKOBSJCAXTCTO-JOCHJYFZSA-N 494.621 1.970 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCCC[C@H]2CC)CC1 1722446416 VSZLTQSVHBVPKF-OAQYLSRUSA-N 452.607 1.909 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1722698260 COINKAFSGVKURG-MRXNPFEDSA-N 479.628 1.849 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccco2)CC1 1722729956 CKEKHCTZMJJWTQ-UHFFFAOYSA-N 487.586 1.296 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCN([C@@H](C)c3nc(C)no3)CC2)nnc1C(C)(C)C 1722731787 RWMGNMYSHVQBOT-HNNXBMFYSA-N 451.597 1.751 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1722750167 LGAJOEJVYCDFPL-OALUTQOASA-N 477.543 1.838 30 10 JDEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)NC)CC2)CC1 1728602422 CULCUMWGZZTAMK-LJQANCHMSA-N 465.606 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1.313 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(C)=O)nc1 1760296280 ZUQNOUPMFJLFSN-XMSQKQJNSA-N 487.586 1.005 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1760326914 ZGNSVMFJHCMSAU-OFVILXPXSA-N 493.612 1.968 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1760505997 WZUXSVALNHGERM-GUDVDZBRSA-N 453.609 1.973 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CCOC(C)C)CC1 1760515361 MLAACCTXWBWNGZ-UHFFFAOYSA-N 494.438 1.895 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1760543971 XDWYHLLVTSKEGP-HZPDHXFCSA-N 480.616 1.359 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C(=O)NC)C1 1760551962 XXWWWMHQBWKXPW-INIZCTEOSA-N 488.397 1.804 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1760555882 PVPRVEROSGHAPW-SFHVURJKSA-N 469.608 1.688 30 10 JDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760565116 OCTGCOJLFWONES-KRWDZBQOSA-N 450.609 1.265 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(Cn2ccc3ccccc32)n1CC1(O)CCS(=O)(=O)CC1 1760695923 BUQCAMLMMPFHOB-KRWDZBQOSA-N 456.572 1.817 30 10 JDEE C[C@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1763232048 CWCSUTOPMSQHHY-GHTZIAJQSA-N 472.615 1.941 30 10 JDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862611912 WOLGPHGZOMSVSG-FQEVSTJZSA-N 483.433 1.786 30 10 JDEE COc1cc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc([N+](=O)[O-])c1O 1873528958 LBSDTINORGFBEO-KNSSQWPOSA-N 457.852 1.325 30 10 JDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)C[C@@H]3CSc4nccc(=O)n43)CC2)CC1 1889412304 DJASAWDESHCIFC-HXUWFJFHSA-N 473.643 1.317 30 10 JDEE COc1ccc(OC)c(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1889717089 GHUDVPVRDSGHAX-UHFFFAOYSA-N 451.589 1.124 30 10 JDEE CC(C)N1CCN(CC#CCOC2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)CC1 1889863750 LSAZERFIGATJLU-UHFFFAOYSA-N 477.656 1.890 30 10 JDEE COc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)CC2=O)cc1OC 1891524565 QNBBPTRWRCISNT-NVXWUHKLSA-N 451.483 1.788 30 10 JDEE C=CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3c(C)n(C)c(=O)n(C)c3=O)cc21 1892043864 JUEPORUBIVYZOL-UHFFFAOYSA-N 462.528 1.131 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124534023 GRIPMXCLTOBBGV-ZDUSSCGKSA-N 452.292 1.034 30 10 JDEE CC(C)(C)OC(=O)N[C@H](CO)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2255746236 WRCZJZZLYRSNBO-NSHDSACASA-N 496.844 1.865 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2255842037 MCLDFMDSDQXWIX-UONOGXRCSA-N 453.370 1.542 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCO)CCCNC(=O)OC(C)(C)C 2267175563 NPXMQEKNLORRAH-UHFFFAOYSA-N 452.361 1.069 30 10 JDEE CCN(CCN(C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267467200 BCQRCPWBZNCCEO-UHFFFAOYSA-N 472.417 1.597 30 10 JDEE COCC[C@@H](CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267495956 SAKGOZACDJPPBH-AWEZNQCLSA-N 452.361 1.379 30 10 JDEE CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2268710692 IJTHJEKKSNZSNS-HIFRSBDPSA-N 450.345 1.951 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2[C@H]3CC[C@H]2CC(NC(=O)OC(C)(C)C)C3)n1 2281955657 NRKJTDWPSYEWHW-GJZGRUSLSA-N 461.372 1.775 30 10 JDEE Cn1nc(C(=O)N[C@H]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2281963392 KVOWCCMYTNQLMV-LSDHHAIUSA-N 464.372 1.521 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C)C1 2281967770 RJHLWMFAPNANEH-OLZOCXBDSA-N 458.290 1.731 30 10 JDEE Cc1nn(C)c(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2281991197 XCLLJXOHZVDUMT-XMMPIXPASA-N 454.380 1.395 30 10 JDEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282319668 XMVHFHYRDBZZNQ-KBPBESRZSA-N 485.416 1.038 30 10 JDEE CCc1nn(C)c(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)c1B1OC(C)(C)C(C)(C)O1 2282561022 XPUWHNVQCFHOLW-UHFFFAOYSA-N 464.372 1.305 30 10 JDEE CN(C[C@@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCO1)C(=O)OC(C)(C)C 2282577410 DUVFJXZWYSWJQH-OAHLLOKOSA-N 464.372 1.427 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(CCO)CN(C(=O)OC(C)(C)C)C1 2282586822 DRUVSDRMXCSVMF-UHFFFAOYSA-N 464.372 1.304 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@H]1C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2284048690 MMLJMBWKWXGXCH-BZSNNMDCSA-N 462.352 1.656 30 10 JDEE CC1(C)OB(c2ccc(CS(=O)(=O)N3CCC(NC(=O)C(F)(F)F)CC3)cc2)OC1(C)C 2286120837 OBEMQNXMIGDFHQ-UHFFFAOYSA-N 476.326 1.959 30 10 JDEE CN(C[C@]1(O)CCCN(Cc2ccccc2)C1)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2286396172 MQZQYBJMXUOURJ-XMMPIXPASA-N 454.380 1.808 30 10 JDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2343639636 VXZIVTIBGDTOHF-OLZOCXBDSA-N 453.324 1.144 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2366863195 LUPSWPOUBKPKQQ-DZKIICNBSA-N 482.412 1.396 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H](CC(N)=O)C1 2369381171 OILGPXHNBLIUCG-AWEZNQCLSA-N 479.408 1.984 30 10 JDEE CC(CO)(CO)/N=C\[C@]12CC[C@H](O)C[C@]1(O)CC[C@H]1[C@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O 504808121 HAWGRLFVADEMKL-KRYMUGRKSA-N 491.625 1.513 30 10 JDEE CCCCCCCCCCCC(=O)NCC[N@@+](CCO)(CC(=O)O)C[C@H](O)COP(=O)(O)O 606564013 BEKGQTYMVRJGGP-CVDCTZTESA-O 499.562 1.387 30 10 JDEE COc1ccc(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(OC)c1OC 609043330 LPNASCZLVCPFJF-UHFFFAOYSA-N 488.566 1.843 30 10 JDEE C#Cc1cccc(-n2c(=C(C#N)C(=O)N3CCN(CC)CC3)sc(=Cc3ccoc3)c2=O)c1 727418351 YKAZJNRINYUECF-UHFFFAOYSA-N 458.543 1.140 30 10 JDEE C#CCN1CCC[C@H]1COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 729809189 JCNIWXGLEPZBDM-HNNXBMFYSA-N 471.373 1.724 30 10 JDEE C#CCn1ccc(CN(CC)C(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)n1 1128571188 ZKBNIWWPCIOTNL-UHFFFAOYSA-N 457.556 1.031 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1286388687 UNASCLOMZXFINR-IBGZPJMESA-N 475.640 1.629 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCOc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1286390179 YHAVNENSGQRDKF-RTBURBONSA-N 471.583 1.633 30 10 JDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@]1(N2CCOCC2)CCSC1 1286410969 JYOFKNPQYHYLKK-JOCHJYFZSA-N 456.641 1.915 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)cc(OC)c1 1286467993 XYVRMRLRNOQNIE-HXUWFJFHSA-N 477.587 1.062 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2nc(C)c(C)s2)n1 1286472615 ZNRBJHQQBQGGJW-GOSISDBHSA-N 468.587 1.834 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1286495957 JLTRSVCYPZLWOX-HNNXBMFYSA-N 482.632 1.256 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)C1 1286545707 ALADYWJJPFZCKO-LPHOPBHVSA-N 458.950 1.779 30 10 JDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1286619508 BECGBQGBVBZXEN-ZIAGYGMSSA-N 463.004 1.992 30 10 JDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C(N)=O)CCOCC1 1286718375 HKSCOQSOAMUIBG-UHFFFAOYSA-N 462.576 1.100 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1286779940 ABHUCPPFTPVSHU-KRWDZBQOSA-N 482.589 1.606 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(=O)C(C)C)CC1 1286780455 UMXVOMSIZNZPLE-UHFFFAOYSA-N 462.558 1.942 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1286792299 UFOKZHKSWNHJGQ-UHFFFAOYSA-N 461.530 1.091 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(S(C)(=O)=O)CC1 1300317760 URNYPLNXPVOKRM-FQEVSTJZSA-N 470.643 1.678 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(F)c(COC)c1)[C@H]1CCS(=O)(=O)C1 1300490697 BSGNUEMMFHQLSA-SFHVURJKSA-N 470.530 1.696 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300501258 IJFGKLLTKCDLLJ-FPOVZHCZSA-N 463.648 1.606 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(OC)ccc1OC 1300631131 LTZPMAUKFXWNOF-IBGZPJMESA-N 463.560 1.136 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CC1(O)CCS(=O)(=O)CC1 1300648599 HKXZPQNISUDYAN-LJQANCHMSA-N 462.547 1.848 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(C)COC2)CC1 1300718185 DTWSETPLNNNSLD-UHFFFAOYSA-N 471.583 1.351 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1300732267 ACZIEPLHCCJYPE-CXAGYDPISA-N 483.582 1.784 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NCCOC)CC1 1300875627 NTEKRYAEFNJBMC-VWNXMTODSA-N 493.612 1.683 30 10 JDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1300957391 UOJANQKSVQTEBI-UHFFFAOYSA-N 456.576 1.393 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1301257685 CRHVCLSCSXKALT-HXUWFJFHSA-N 491.662 1.445 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1COCCO1 1301341534 SFCOCSARLPTUOZ-APWZRJJASA-N 460.560 1.368 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](COC)C1 1301577258 GVNLFOAWUZZFOI-INIZCTEOSA-N 450.517 1.126 30 10 JDEE CO[C@@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1315149267 DJDRPJAAASNXBR-DLBZAZTESA-N 461.592 1.512 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)N1CCCC1 1358890089 KQRZUNCMZAOEKQ-NNWRFLSQSA-N 486.642 1.906 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358959361 HIYNLKPTIICWHI-QGZVFWFLSA-N 462.547 1.643 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(SCC)c1)[C@H]1CCS(=O)(=O)C1 1358962266 NDCOGKZBNKWMEY-IRXDYDNUSA-N 474.612 1.411 30 10 JDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCCS1(=O)=O 1359009298 MFRATZPZMXOZGH-IBGZPJMESA-N 457.604 1.879 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1359033280 WIYGYPDMGOOYIA-UHFFFAOYSA-N 495.634 1.920 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1359228238 XJBPYXGLXGMJQK-QGZVFWFLSA-N 468.624 1.403 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(CCC(N)=O)CC1 1359293634 VWZFHZXHRKIJGE-UHFFFAOYSA-N 478.395 1.830 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1359331423 YOCINKZFWNVXCN-UHFFFAOYSA-N 469.615 1.910 30 10 JDEE Cc1noc(C)c1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1493007852 HAWICIOCWNPYBJ-OAQYLSRUSA-N 499.597 1.967 30 10 JDEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1501566318 APVJNOLVJSTGCO-SLFFLAALSA-N 459.572 1.882 30 10 JDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCC[C@H](C)C2)CCO1 1503770951 GZOLKJRROAETOG-UEXGIBASSA-N 451.575 1.888 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(Cc2ccccc2)c1 1507539332 USPJLLQPNZAPQA-RXVVDRJESA-N 483.598 1.362 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(C)no2)c1 1507551286 WHAXOBLIHYYEOL-QGZVFWFLSA-N 468.539 1.581 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O)[C@H]1CCS(=O)(=O)C1 1507630670 FENYPWKEROHLRI-HKUYNNGSSA-N 484.557 1.383 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507634857 NVQZATOYLUDRIX-LJQANCHMSA-N 475.640 1.803 30 10 JDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1507660955 IMGQROXDBNKNKR-CPJSRVTESA-N 478.601 1.894 30 10 JDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1507757353 YHBRLYKNTHARKP-QFIPXVFZSA-N 453.572 1.445 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1508086000 JNFVDRLKBKGBML-UHFFFAOYSA-N 463.546 1.384 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](CC(N)=O)C1 1508143605 IOZBUDCBFJDPRO-KRWDZBQOSA-N 471.587 1.209 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1539094486 QJFHADBZROUQHF-INIZCTEOSA-N 479.006 1.918 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(N2CCOCC2)nc1)[C@@H]1CCS(=O)(=O)C1 1539203775 VAPBAEQVLLFXHE-LJQANCHMSA-N 472.615 1.482 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1539206543 RCPOSCLVKIKLCT-QFBILLFUSA-N 459.528 1.907 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1539221223 YYCWWRLUQAXLBB-FQEVSTJZSA-N 476.574 1.566 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539222615 WWKZNTRVMFQNOC-BURNTYAHSA-N 463.648 1.919 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2ccccc2)N(C)C)CC1 1539428293 OXXACZSSRYBPRY-OAQYLSRUSA-N 458.570 1.984 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCNS(C)(=O)=O)CC1 1539461593 IIDGPRNGFNXDTR-UHFFFAOYSA-N 488.658 1.849 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCN(C)S(=O)(=O)CC)CC1 1539482460 TVBSUPIKGVYQMV-UHFFFAOYSA-N 464.636 1.573 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNS(=O)(=O)CC 1539552272 MWJFHGKVZOWLPJ-OAQYLSRUSA-N 493.659 1.560 30 10 JDEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1539592573 HEGVVMSGBQGUDF-QGZVFWFLSA-N 492.422 1.912 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccco2)C1 1540038327 ZFWWGYPPHOENNW-MOPGFXCFSA-N 481.575 1.375 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1540200862 JDRAMAIYVLFYTJ-GBESFXJTSA-N 469.652 1.707 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](COC)O[C@H](C)C1 1540869541 PKSFPIRVSFJQPY-SJORKVTESA-N 481.557 1.217 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Nc2cc(OC)cc(OC)c2)CC1 1540869675 UHBIFQDTZYANDX-HXUWFJFHSA-N 483.573 1.630 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)CC(N)=O 1540870219 HQEKPAXITHHFJX-HZPDHXFCSA-N 463.583 1.395 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1540874663 NVQCJKXPNIOTTH-NQIIRXRSSA-N 465.558 1.188 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC1CC(F)C1 1540900200 NSMWVKNNJQFWHK-UHFFFAOYSA-N 460.539 1.706 30 10 JDEE CC(=O)N1CCN(CCn2c(N3CCC(C#N)CC3)nnc2[C@]2(OC(C)C)CCOC2)CC1 1541007323 MHOIKWNURROPEW-QHCPKHFHSA-N 459.595 1.223 30 10 JDEE CC(C)(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)NCCn2cc(C#N)c(O)nc2=O)cc1 1557599785 DNMYXTUFOGIEFD-KRWDZBQOSA-N 455.540 1.450 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@]2(O)CCO[C@@H]2C)c1 1587697800 XYJLXLPWTAPKKJ-IQGLISFBSA-N 460.538 1.860 30 10 JDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1587798302 GIISSHBVIYYOEA-FKBYEOEOSA-N 472.634 1.939 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1588024531 GKJOAMVIWDYFPD-MRXNPFEDSA-N 462.601 1.262 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1588059420 NWVHBWVMRHWAFA-HNNXBMFYSA-N 486.566 1.209 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 1588064369 HCNSZYIFFUPMTI-KRWDZBQOSA-N 488.595 1.170 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2cccc(Cl)c2n1C 1588138661 HDDQPOODOHPQRI-OAHLLOKOSA-N 456.959 1.841 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)NCC)c1 1588180338 CSCUMFXQPHKWAK-KRWDZBQOSA-N 456.572 1.149 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1588258841 JUSFHZHEMLKGQF-MBDNFAEBSA-N 489.642 1.669 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CN2CCOCC2)c1 1588266949 YBWOIGVXYMZPGG-SFHVURJKSA-N 460.604 1.228 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1C1CC1 1588384757 ASNMHDWORNQIPW-RBUKOAKNSA-N 450.609 1.087 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCn2cnnn2)CC1 1588961487 ANRLDNDNFZYYRU-UHFFFAOYSA-N 477.573 1.517 30 10 JDEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1589008551 WIRCVNLTTIQVTH-LJQANCHMSA-N 466.611 1.756 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(C)(C)C1 1589069753 NOWZKIYBEYZYFL-OAHLLOKOSA-N 459.663 1.309 30 10 JDEE C#CCSCCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1589125890 RNXNBOSXWMGPKH-RDPSFJRHSA-N 490.674 1.428 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ncc(F)cn2)CC1 1594625957 JJEYKWWIXRVCKC-SFHVURJKSA-N 494.597 1.223 30 10 JDEE C=CCNC(=O)Cn1c(N(C)C2CCN(C(=O)c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1595593781 IVJANDWPPWZVSV-AREMUKBSSA-N 496.612 1.973 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1595765605 DWWZGRWXUUPOFJ-MRXNPFEDSA-N 490.554 1.771 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1595784846 LEOVSPGVQMMVLC-UHFFFAOYSA-N 464.555 1.534 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1595812470 VJROQFSFYAWCAW-QFIPXVFZSA-N 460.604 1.166 30 10 JDEE CC(C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1598136268 BSWWCFOHODRTEO-RBUKOAKNSA-N 451.531 1.451 30 10 JDEE CCN1CCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1615808165 FMAXCTSJEFQLTB-RBUKOAKNSA-N 465.624 1.225 30 10 JDEE N#Cc1cc(F)ccc1N1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)CC1 1632333006 FEZAVGUENFFSPW-SIKLNZKXSA-N 454.477 1.690 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccn(Cc3cccc(OC)n3)c2=O)cc1 1637537723 XTVDOXUIKYOIDW-UHFFFAOYSA-N 452.492 1.464 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2C)CC1 1644284698 CQMYQJCSYQBQPA-GOSISDBHSA-N 450.561 1.173 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(=O)(=O)CC=C 1649539322 KYDLZPYAPRTBMF-HNNXBMFYSA-N 464.617 1.605 30 10 JDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NS(=O)(=O)CCCC)cc1 1653726129 QHVLXHKNBVHIQJ-MRXNPFEDSA-N 450.604 1.592 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689978346 SZWGTXDAZRMREP-LJQANCHMSA-N 473.599 1.880 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1689982392 MBZRDKJKVOMCGL-HXUWFJFHSA-N 470.555 1.742 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCOCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689988033 HRAGKQLNYSYSQU-MOPGFXCFSA-N 457.556 1.073 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1ccc(C(N)=O)nc1)[C@H]1CCS(=O)(=O)C1 1689996853 PWSPYBBQDLPJFB-IBGZPJMESA-N 494.577 1.334 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CCN1CCCS1(=O)=O 1690100166 ZHROYINMSFJGOO-UHFFFAOYSA-N 456.572 1.558 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCC)c1 1690104079 LVXJAIKTLQPGJU-IBGZPJMESA-N 459.572 1.064 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2(O)CCSC2)CC1 1690150566 MPAGALXKIUTUMB-NRFANRHFSA-N 460.629 1.468 30 10 JDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1690163447 FXXIBHZYQSAUNQ-GOSISDBHSA-N 465.587 1.592 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1690237405 YLTFPWSJIOSJPJ-PMACEKPBSA-N 464.574 1.991 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cccc(F)c2[C@@H]1C 1690672210 LNGQNOPMBBQFHF-YJBOKZPZSA-N 492.577 1.176 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCSC2(CCOCC2)C1 1690714313 JYTLHKHZOLBPIA-UHFFFAOYSA-N 457.622 1.120 30 10 JDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2CC2(C(N)=O)CCCC2)cc1C 1693119594 HTZFIRREPOMCMW-GOSISDBHSA-N 451.531 1.922 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1 1696490352 CQCQXVFOZMDSFK-UHFFFAOYSA-N 451.597 1.202 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1705494773 FNDFWDPAZFVYDH-YESZJQIVSA-N 484.623 1.372 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1705495439 PXABTSJFLULWKJ-FFZOFVMBSA-N 478.594 1.511 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1705560704 JNWGMIAKWYGTKC-LZJOCLMNSA-N 479.628 1.817 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc(C)c1)[C@H]1CCS(=O)(=O)C1 1705564601 CUPANQISOBHJJW-IRXDYDNUSA-N 468.626 1.225 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CC1(NC(=O)OC(C)(C)C)COC1)[C@H]1CCS(=O)(=O)C1 1705569698 FZMHHJSYNRYZMO-KRWDZBQOSA-N 481.619 1.397 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(COC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1705570431 NINYRDNENHABEH-FQEVSTJZSA-N 473.599 1.334 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1705570574 OTWCUYJGSPWNFY-NRFANRHFSA-N 471.627 1.990 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2nc(C)cs2)CC1 1705634333 RUGMXWXBNQZNNU-UHFFFAOYSA-N 485.639 1.764 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCOCC2(C)C)CC1 1705648628 VAZPTQONLJOILL-HXUWFJFHSA-N 458.607 1.249 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1705650522 SWWQHSNTBQJWBB-UHFFFAOYSA-N 487.601 1.941 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC2(C(N)=O)CCOCC2)CC1 1705650822 ZJGKBEXWKPMDSY-UHFFFAOYSA-N 494.596 1.148 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](COC)C1 1705654546 MBKHLRKQFHUHLK-KRWDZBQOSA-N 450.586 1.567 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCCC2=O)CC1 1705661994 MWXOYEKVWIZNIG-KRWDZBQOSA-N 465.645 1.528 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)C1CC1 1705674788 QYPZUGOBZRPOOF-YRISNDGFSA-N 450.609 1.086 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705694000 MYOQDHOWBVSLGO-SJLPKXTDSA-N 466.608 1.013 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCCN2C[C@H]1C 1705696351 GEVFJLVPIUXFIY-ZRSRNVLSSA-N 452.625 1.542 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(CC(F)(F)F)C1 1705716827 WHKRRCPRCLMNJW-DLBZAZTESA-N 494.584 1.898 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1705938607 DTMZQPGUCVFPNE-UGKGYDQZSA-N 468.620 1.784 30 10 JDEE C=CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705941086 YNFDFPFSWZAUSA-NVXWUHKLSA-N 474.562 1.623 30 10 JDEE C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)N(C)C 1706808373 GDZYHRSRNGTCSH-HXUWFJFHSA-N 464.618 1.935 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@]2(C)CN(C)C2=O)c1 1722308652 COUKKXHUYDGUNN-HOYKHHGWSA-N 450.543 1.707 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1722324721 WXFRBDZHBXXHRR-YESZJQIVSA-N 466.608 1.605 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1722358972 OGCJMVSCGZTOOP-GOSISDBHSA-N 489.598 1.499 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1c(CC)nn(C)c1OC)[C@@H]1CCS(=O)(=O)C1 1722359958 BNXPGQQKJSXQLG-OAHLLOKOSA-N 457.560 1.253 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722365575 FREMITDBQJBVQI-RTBURBONSA-N 474.583 1.864 30 10 JDEE C#CCN(c1nnc(C)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)[C@@H]1CCS(=O)(=O)C1 1722367929 YDRXLJZAFUQYEG-INDMIFKZSA-N 463.604 1.716 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722368914 UMCXWMQJJFGMBB-NJDAHSKKSA-N 463.648 1.919 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722371441 JAXXPVNUYFVHFB-UXHICEINSA-N 485.614 1.662 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1722384891 ZKOPPCGBFMXBTH-DLBZAZTESA-N 454.552 1.633 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1722433176 ODYKBHZCLUEWGG-LSDHQDQOSA-N 465.945 1.880 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(F)ccc2F)CC1 1722440276 BOZRUPJZBLRTRT-UHFFFAOYSA-N 456.497 1.806 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(N)=O)c1 1722518335 ZTLJIOZRVNBKLB-SFHVURJKSA-N 462.576 1.161 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CCN(C)C2=O)CC1 1722527245 CSGVZAQVPHCZJS-UHFFFAOYSA-N 453.547 1.967 30 10 JDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1722532716 UKFZTAXGZXTVJO-QGZVFWFLSA-N 451.593 1.760 30 10 JDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1722533975 HKIJVQDBDXSTFY-UHFFFAOYSA-N 451.597 1.522 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1722692585 SCKFNLYZZVURNU-UHFFFAOYSA-N 467.574 1.660 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722707214 JHYDGKXWBQEBQI-IBGZPJMESA-N 488.614 1.703 30 10 JDEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN1CCCS1(=O)=O 1723329875 GAMLKDAIBQDNFR-UHFFFAOYSA-N 458.592 1.105 30 10 JDEE CN(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1)C1CC1 1729316114 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C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1748802641 QPYVEUUCPWIONC-INIZCTEOSA-N 486.504 1.879 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1748823874 DKPDJBUNQZNENC-OTWHNJEPSA-N 466.604 1.446 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ncn(C)n2)CC1 1749006019 FWKTVSBCIKJVMA-UHFFFAOYSA-N 464.530 1.105 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(C)COC2)CC1 1749015466 DZVNAUNIENJIIQ-UHFFFAOYSA-N 456.572 1.272 30 10 JDEE C#CCSCCn1c(CC(C)C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1749038940 ZNBFUSORWDMNOG-KURKYZTESA-N 497.687 1.970 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnccc1OC 1749159575 VKXDIDRLHATEFO-GOSISDBHSA-N 450.565 1.465 30 10 JDEE C=CCN(CCOC)c1nnc(Cc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1749601038 VNCIICVHUGLPPY-UHFFFAOYSA-N 452.552 1.587 30 10 JDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1749676812 FHOPTTDERHGDTC-UHFFFAOYSA-N 485.633 1.253 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(=O)N2CCOCC2)C1 1749719030 MISMALUJHIYCOB-OALUTQOASA-N 490.605 1.990 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1749734117 FFIJFKFUAWDGSJ-MSOLQXFVSA-N 485.676 1.092 30 10 JDEE C#CCCCCn1c(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1760143182 YILCSRLQQBKLJC-REWPJTCUSA-N 495.646 1.365 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1760145095 ICKYJZBPMUBNAY-KRWDZBQOSA-N 479.651 1.902 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCCCC2)nc1)[C@@H]1CCS(=O)(=O)C1 1760184726 YGADHPKGLMDLEO-HXUWFJFHSA-N 499.641 1.477 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1760194873 RZRMPFJSUMOKCB-QGZVFWFLSA-N 460.531 1.570 30 10 JDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCNS(=O)(=O)c1ccc(C)s1 1760208587 GLJGPYGEYAHWSP-UHFFFAOYSA-N 497.606 1.737 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NCc1ccccc1 1760220336 ZOBNATJEEIMDFW-FQEVSTJZSA-N 453.568 1.350 30 10 JDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1CCS(=O)(=O)CC1 1760246422 YCQIIZRCKWCBLP-UHFFFAOYSA-N 462.572 1.873 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2nnc(C)s2)CC1 1760255593 LGSZYLPCBVFWAY-UHFFFAOYSA-N 457.585 1.312 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCNC(=O)OC(C)(C)C)CC1 1760255899 PSZISPMPIXWXFS-UHFFFAOYSA-N 488.614 1.629 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN(C)CC(F)(F)F)CC1 1760257087 OFUHEKVBYFBKRX-FQEVSTJZSA-N 458.529 1.570 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(CC)cc2)CC1 1760261950 SXAAXNGRFRJHAB-JOCHJYFZSA-N 486.642 1.171 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCCN2CCCC2)CC1 1760268114 CLWDYENAFKPETD-HXUWFJFHSA-N 455.607 1.461 30 10 JDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCC(C)C)C1 1760306185 DEKGQUIAYDROKB-JKSUJKDBSA-N 492.440 1.771 30 10 JDEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cnccn1)c1ccccc1 1760363159 GOUZCXYURSHQIW-NRFANRHFSA-N 483.598 1.793 30 10 JDEE C=CCCCn1c(N2CCN(c3ccc(C(N)=O)cn3)CC2)nnc1[C@@]1(OCC)CCOC1 1760444863 SVXNNTMKDAIWGG-HSZRJFAPSA-N 455.563 1.717 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc2n1CCC2 1760478291 BYZNATXWIPSGRR-INIZCTEOSA-N 481.586 1.539 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCc2c(ccnc2O)C1 1760527567 ATORSHYKSBTAPS-UHFFFAOYSA-N 450.499 1.831 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1760556215 WZVFKIFBZGLPTO-SFNQZPIRSA-N 452.602 1.757 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)Cc1ccc(F)cc1 1761362402 BWLHRPKFMIDHFL-XLIONFOSSA-N 493.609 1.620 30 10 JDEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CS(C)(=O)=O)CC1 1765552551 IDSYDUPTQPVNHJ-WOJBJXKFSA-N 487.674 1.960 30 10 JDEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1)S(C)(=O)=O 1766867110 BUOIGEYBHKSDJX-LJQANCHMSA-N 471.587 1.299 30 10 JDEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 1861775179 WLWBKXBARXAMOW-KBXCAEBGSA-N 455.964 1.392 30 10 JDEE C[C@@H](NC(=O)c1ccc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1)C(=O)Nc1ccccc1C#N 1866900260 SVCPBNISXMGOHY-XMSQKQJNSA-N 495.605 1.624 30 10 JDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)c3ccc(N4C[C@@H](C(=O)O)CC4=O)cc3)cc2C1=O 1870151353 UFKRPIKKYYKVMH-ZDUSSCGKSA-N 499.443 1.055 30 10 JDEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)c3c4c(nn3[C@H]3CCS(=O)(=O)C3)CCC4)C2)c1 1891409234 DUSNZQHERLNVLK-ROUUACIJSA-N 469.567 1.929 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCC2(CNC(=O)OC(C)(C)C)CC2)n1 2267468389 JZXNVVIHLBJNCK-UHFFFAOYSA-N 470.401 1.303 30 10 JDEE CON(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267486882 BCJTUIHPQPLCHF-AWEZNQCLSA-N 450.345 1.732 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](F)C[C@H]2CNC(=O)OC(C)(C)C)n1 2267540601 TWMNKMPRMFEQFW-OLZOCXBDSA-N 453.324 1.192 30 10 JDEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@H]2COC[C@H]21 2281930744 PDFHSSSDPGTDLW-OFQRWUPVSA-N 462.356 1.463 30 10 JDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282173570 KRZWDIVYGQBLIY-FICVDOATSA-N 463.388 1.736 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@@H]12 2282669182 QABZPKPRFOIPTK-UAGQMJEPSA-N 459.352 1.745 30 10 JDEE C[C@@H]1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2282834397 TYMLREZYWGPJAG-VXGBXAGGSA-N 497.370 1.661 30 10 JDEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2315563607 GOLCADZWWARNDA-UHFFFAOYSA-N 453.370 1.808 30 10 JDEE CO[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2317678222 ZBVMAHSYXMFLBM-CYBMUJFWSA-N 476.426 1.865 30 10 JDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@H](NC(=O)OC(C)(C)C)[C@@H]2CCO[C@H]21 2362339121 VWKFAJDPTAGBPB-DSJMHWKBSA-N 462.356 1.130 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)[C@@H](CC(N)=O)C1 2369308017 PEXAAMYRVVMEJR-AWEZNQCLSA-N 479.408 1.984 30 10 JDEE CCOC(=O)[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cccc(OC)c2OC)[C@@H](C#N)C(=O)N3)C1 72445677 ZZOJETANXOBFRA-UNEWFSDZSA-N 481.509 1.790 30 10 JDEE C=CCn1c(-c2cccc(C)c2)nn(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)c1=S 913064381 YGOUJNONMYFGPQ-UHFFFAOYSA-N 478.644 1.728 30 10 JDEE C=CCN(CCOC)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1128643043 QGXMLDWVSTVXQT-UHFFFAOYSA-N 452.314 1.816 30 10 JDEE COc1cc2c(cc1S(=O)(=O)NC1CCC(Oc3ncccc3C#N)CC1)OCC(=O)N2 1189418373 GHBURRCLCRTXSW-UHFFFAOYSA-N 458.496 1.961 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1286289964 NITZTNKGSPSZEL-ZDUSSCGKSA-N 461.448 1.811 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CC(=O)N(CCOC)C1)[C@@H]1CCS(=O)(=O)C1 1286386479 AIXIYHKTJIRTAH-UYAOXDASSA-N 471.583 1.067 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1286390135 XRYHMGBQKPAPTI-WOJBJXKFSA-N 466.567 1.620 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1286420567 RGQJALKUDOUVCS-SFHVURJKSA-N 474.558 1.960 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CCN1CCCS1(=O)=O 1286456248 OVTGERILNMBBRL-UHFFFAOYSA-N 455.519 1.550 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCc3cccnc32)CC1 1286486049 GHUXNASULMQOJX-PXNSSMCTSA-N 499.641 1.369 30 10 JDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1286506702 KYPLVMYQOQXDQK-TYPHKJRUSA-N 460.648 1.875 30 10 JDEE C=C(Br)Cn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286547195 DRYPMMOCPVWBRI-GOSISDBHSA-N 492.440 1.699 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)NC)CC1 1286555725 LJHVUPNEIDTARK-GGPKGHCWSA-N 465.620 1.514 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286781314 WUNCGJPKOBALRW-XLIONFOSSA-N 486.548 1.687 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1286786960 NDSPJLRKQDKJJN-IBGZPJMESA-N 480.617 1.520 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C)C(=O)C1 1286817140 PWCHCOZNEARJSY-UHFFFAOYSA-N 486.367 1.726 30 10 JDEE C[C@@H]1CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)C[C@@H](C)O1 1291186597 HESSLHTUNIRHOG-QZTJIDSGSA-N 472.615 1.939 30 10 JDEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CCN1CCOC 1293540473 DRNBRFKGXPQCDY-FQEVSTJZSA-N 460.604 1.798 30 10 JDEE CN(C)S(=O)(=O)CCn1c(-c2cnccn2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1298101554 FYPUCQALEITXBU-UHFFFAOYSA-N 452.544 1.667 30 10 JDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)N1CCOCC1 1300317453 QXNWNKSPPSVLIC-QFIPXVFZSA-N 479.629 1.350 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC2(O)CCOCC2)c1 1300332273 BEJYJFHEILDILD-IBGZPJMESA-N 466.542 1.217 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1300364053 HNPNIEWBBOZWAJ-OALUTQOASA-N 462.620 1.566 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300489901 VLVBRKIMGZUXGC-HXUWFJFHSA-N 455.584 1.660 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1300715560 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C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359017090 UDOBYICFAMPJDW-KNQAVFIVSA-N 462.547 1.848 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1359132834 GPAQEFATALKGAD-BZUAXINKSA-N 481.541 1.838 30 10 JDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359283077 PJTGILHSQIBLFH-MRXNPFEDSA-N 457.922 1.520 30 10 JDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1359287387 AKGJNVWWTOCESR-INIZCTEOSA-N 463.535 1.233 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(S(C)(=O)=O)CC2)cc1 1359308659 VDDSFHNTZMAYFN-SFHVURJKSA-N 494.639 1.807 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@](C)(C(=O)NC)C1 1359334624 LYVWOHGJIHXIGM-HSZRJFAPSA-N 470.599 1.913 30 10 JDEE CC(C)CC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1359895410 CADQKRHBILHHCE-UWVAXJGDSA-N 456.613 1.394 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOc2ccccc21 1360475746 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C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1508089267 FHOZFUNEXQCIHF-DAYGRLMNSA-N 463.560 1.351 30 10 JDEE C=CCNC(=O)Cn1c(N(C)[C@@H]2CCCN(c3cccnn3)C2)nnc1[C@@]1(OCC)CCOC1 1508094949 QWNJIKZOCKOTSD-WZONZLPQSA-N 470.578 1.128 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC2(CCC2)C1 1508160887 JCLQUDLQOZSSSR-KRWDZBQOSA-N 471.649 1.537 30 10 JDEE C[C@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)C1CC1 1510232337 DPMSFJBILMZIBU-VGSWGCGISA-N 458.588 1.743 30 10 JDEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1513527336 DTPAFCSFDDAWKN-SFHVURJKSA-N 453.547 1.836 30 10 JDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1518629484 CESITZANBZDNEE-JTDSTZFVSA-N 451.531 1.982 30 10 JDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCc2ccc(S(=O)(=O)N(C)C)cc21 1521396104 CEKPSWPLDDFLQV-UHFFFAOYSA-N 452.540 1.990 30 10 JDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1539112441 QTIRNRYMSSDDOE-CTNGQTDRSA-N 452.607 1.909 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1539212015 MFKPBFVUQVAOQJ-IIBYNOLFSA-N 480.974 1.385 30 10 JDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1539215538 DZQNQCCSHGOGLI-RTWAWAEBSA-N 484.582 1.419 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@]2(C)COCCO2)CC1 1539441925 ZXQZAMGEGXTADM-XMMPIXPASA-N 455.559 1.913 30 10 JDEE N#Cc1ncn(CCNC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)n1 1539480184 ACHYMIPOCWBBRA-UHFFFAOYSA-N 456.450 1.386 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2CCOCC2)CC1 1539516816 DLMLLISJGVQTBF-LJQANCHMSA-N 467.661 1.095 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)c2cccs2)CC1 1539890463 PCEUIVSFNCSSKD-UWJYYQICSA-N 481.644 1.983 30 10 JDEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NC)CC1 1540019313 GIXBIIDDMAZIJB-UHFFFAOYSA-N 475.981 1.916 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1540869212 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C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)ccc1OC(F)F 1588140125 UDXFDADDFVBKGR-LJQANCHMSA-N 493.536 1.642 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC(=O)N1CCOCC1 1588205345 JEKSLSBMGSYCHZ-UHFFFAOYSA-N 451.527 1.674 30 10 JDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(S(C)(=O)=O)CCC2)CC1 1588837503 WEUUUMOIVBLKGR-UHFFFAOYSA-N 463.554 1.870 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(SC)CCC2)CC1 1588890979 JZXUXQOZIMBIKP-HNNXBMFYSA-N 468.649 1.140 30 10 JDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1589053841 VQIODROTRIZKOE-WMLDXEAASA-N 462.601 1.440 30 10 JDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCN(S(C)(=O)=O)CC1 1593908042 FTCCHDVZMNNXKH-UHFFFAOYSA-N 458.997 1.494 30 10 JDEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1594807676 WIHBFQAWVPEJCG-JOCHJYFZSA-N 475.619 1.793 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1595489122 CWAPOHCZGZXJLT-INIZCTEOSA-N 459.348 1.821 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1595594580 NAHDHGJNUKLESW-FQEVSTJZSA-N 471.581 1.515 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(Cc3cc(C)no3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1595602501 LJYSZJGBLVDHBX-QHCPKHFHSA-N 473.578 1.240 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1595673237 GFWCVNYTUKEWJA-IRXDYDNUSA-N 460.560 1.532 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(C)C)CC1 1595805503 PVWDQTCGVCRZTJ-SFHVURJKSA-N 489.664 1.084 30 10 JDEE CCN1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CCOC)C(=O)C2)CC1 1615888790 HBMQQSKZWXDMPB-UHFFFAOYSA-N 480.617 1.139 30 10 JDEE N#Cc1ccc(NCC(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)nc1 1625376686 AYSOFPACGHBRNJ-UHFFFAOYSA-N 456.510 1.685 30 10 JDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)C1CCCC1 1683688433 CQJFMDMIIAIIFW-MSOLQXFVSA-N 450.565 1.071 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(COC)cc1)[C@H]1CCS(=O)(=O)C1 1689981936 DSHPEAKPIPUHKP-URXFXBBRSA-N 488.610 1.752 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1689984719 UAWOYFVCDADZLF-OAHLLOKOSA-N 450.952 1.146 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)CCC)cc1)[C@@H]1CCS(=O)(=O)C1 1689988654 SZVONVSJXDVUJQ-WOJBJXKFSA-N 498.609 1.643 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1689988905 YKNJTIJDYOCRGP-GDBMZVCRSA-N 457.585 1.930 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1689993464 DYYNTHJTTAITSI-QGZVFWFLSA-N 464.617 1.177 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc([C@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1689993637 IVLLAZYUAFQCTJ-FXAWDEMLSA-N 471.583 1.129 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1689997025 UKQMCTKCKZEFRS-NRFANRHFSA-N 497.625 1.862 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690011957 KIRYBQBZDWXSAK-IBGZPJMESA-N 463.567 1.485 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CCS(=O)(=O)CC1 1690013464 PNWWYDUDJWPHRR-UHFFFAOYSA-N 474.612 1.136 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccccc1Cl 1690033037 OUFIHGKADVNRSH-IERDGZPVSA-N 463.991 1.912 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN(C)C2CCCCC2)CC1 1690110616 UETHIGWSHFOVPU-UHFFFAOYSA-N 450.591 1.945 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(=O)C2CC2)CC1 1690299418 QUNGHHWOGKHOTC-UHFFFAOYSA-N 453.547 1.967 30 10 JDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CCN(C)C2=O)CC1 1690497378 ONTAJQWYHCDFPW-UHFFFAOYSA-N 453.547 1.967 30 10 JDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccccc1 1692662056 GMSWXMRXDHTWRT-PLMTUMEDSA-N 462.576 1.257 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(OCC)CCCC2)CC1 1705645300 PUUOWMHXVZZGDU-QGZVFWFLSA-N 480.635 1.203 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705792310 QOMIMKSNPDNNFU-TYPHKJRUSA-N 492.690 1.771 30 10 JDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1ccc(S(N)(=O)=O)cc1 1705840777 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C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1722503551 LOXCDCVJNGCODU-WFXMLNOXSA-N 465.620 1.785 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722507174 WXBCJCKTABAFKJ-JPAWQOSXSA-N 458.563 1.481 30 10 JDEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)=O)C[C@H]1C 1722534468 NHNOFPRFBMAKBS-QGZVFWFLSA-N 475.619 1.888 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2ccccn2)CC1 1722690710 LVQOOFJLDWGZLV-UHFFFAOYSA-N 494.987 1.885 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(Cn3nc(C)cc3C)CC2)nnc1[C@@]1(OCC)CCOC1 1722703655 DSZPWBWYNPNYHS-XMMPIXPASA-N 471.606 1.962 30 10 JDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1722737137 UVYDTLQUCSKPQK-UHFFFAOYSA-N 491.662 1.276 30 10 JDEE CC(=O)c1ccc(N2CCN(c3nnc(C)n3CCN/C(O)=C3\N=CC=CC3=O)CC2)c(F)c1 1722744325 IJAFSBMJKHDRQZ-QURGRASLSA-N 467.505 1.781 30 10 JDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1723087753 AUNHGQQXFCGWOI-OAQYLSRUSA-N 451.575 1.890 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740627162 YUDGZYFWCJXROF-PBYQXAPXSA-N 463.629 1.438 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N1CCOCC1 1740645749 LALUJCNTHUEFEH-RBUKOAKNSA-N 490.655 1.486 30 10 JDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN(C)C(=O)OC(C)(C)C 1740683992 IAUKQXNDOQBHOF-UHFFFAOYSA-N 460.535 1.959 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1740708060 ANXTUXVQIQBQDP-FQRUVTKNSA-N 465.598 1.959 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1740989078 ZJQXZYZBOMKDPE-VGSWGCGISA-N 462.572 1.939 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1740991031 MMIMDNOFYBBPGZ-YADHBBJMSA-N 489.642 1.976 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1741123961 CNVDJNRRTVHUOR-CRAIPNDOSA-N 494.021 1.881 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2(S(C)(=O)=O)CCCC2)c1 1748692766 NUIYYUNWJPCWNS-IBGZPJMESA-N 498.609 1.643 30 10 JDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1748734914 KJRPVSNKSFBSBV-WIYYLYMNSA-N 457.600 1.919 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1748802194 NFAHNZLFPGMTKR-NRFANRHFSA-N 484.626 1.251 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1748817032 COTFRJABFODZOR-PMACEKPBSA-N 492.623 1.002 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)N1CCOCC1 1748868667 DDNJPANQIJPAIS-UHFFFAOYSA-N 459.348 1.748 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(COCC)cc2)CC1 1748989562 NHCWGIVBDIIPCN-OAQYLSRUSA-N 457.600 1.520 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN2CCOC[C@H]2C)CC1 1749005925 BCTOHEBRYDEEHE-LJQANCHMSA-N 466.586 1.640 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1749008735 ANBUFSLYCNWKER-GOSISDBHSA-N 487.605 1.452 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1749229695 ODBPYTOVDXSLRQ-HXUWFJFHSA-N 474.587 1.712 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)C2CC2)CC1 1749427066 KTJAKWLEAZXTIO-GOSISDBHSA-N 466.608 1.072 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1749590886 IHANBTHIMXXEEK-SFHVURJKSA-N 482.628 1.833 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[C@@H]2COCCO2)C1 1749695908 LSPSILQJFYMZQV-WOJBJXKFSA-N 491.614 1.782 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCn3cc(C)nc32)C1 1749697671 MEGPBCCDGSMVPT-FGTMMUONSA-N 463.608 1.752 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1749725126 QJXWOYYIAJBQRM-HRAATJIYSA-N 477.543 1.838 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1749732550 YRIARRROEDELGR-SFHVURJKSA-N 468.624 1.357 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1749733725 ANCQXIZCUVMDCE-FUHWJXTLSA-N 482.628 1.987 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1760126109 YHGXMHKDJHLLOD-QRWLVFNGSA-N 450.586 1.587 30 10 JDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1760162388 RXSUYONTFPUVCL-RTBURBONSA-N 453.609 1.462 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760189230 SSIKOUTZAIEADY-GIVPXCGWSA-N 475.590 1.851 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCCCS(C)(=O)=O)CC1 1760269321 FINGSUVQOCMAHF-IBGZPJMESA-N 465.620 1.353 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1760270609 SBSFOPODUKJUHF-SFHVURJKSA-N 487.601 1.799 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1760272928 FIGXPZGRFMKJBV-LJQANCHMSA-N 472.590 1.962 30 10 JDEE C=CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(N)=O)C1)c1ccccc1 1760418412 RWPJBEQISAEWAS-VAMGGRTRSA-N 488.614 1.283 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CC 1760480215 OEOKKYYSIWEPEO-NZQKXSOJSA-N 488.614 1.836 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1760522330 QZRJORCJVHGBNI-IAGOWNOFSA-N 496.634 1.318 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760526448 OQUSQBPBFIEKND-IBGZPJMESA-N 461.588 1.790 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CSCCS2)C1 1760543070 MONBSMSJEHRBEW-IKGGRYGDSA-N 489.689 1.241 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCCS2(=O)=O)C1 1760546089 IRKITNQHLCYPGD-KRWDZBQOSA-N 452.606 1.451 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)COC)CC1 1760553032 JQFGIEDKFFWLGX-UHFFFAOYSA-N 472.571 1.149 30 10 JDEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760559307 LXCLTAOXBBRTLH-UHFFFAOYSA-N 491.662 1.387 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(N2CCCC2)CCOCC1 1761492772 GKQSJTVVWMAHSH-NQIIRXRSSA-N 479.651 1.663 30 10 JDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCOC2=O)c1 1771343686 HMJYCEDOOKNDRZ-HXUWFJFHSA-N 462.507 1.633 30 10 JDEE COc1ccccc1N1CCN(C(=O)[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)CC1 1858422370 SHYYRRIXBSTXGQ-LJQANCHMSA-N 454.552 1.926 30 10 JDEE C=CCn1cc(OCC(=O)N(C)CCCC)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1870948605 FRULTKMNRGUUOJ-UHFFFAOYSA-N 462.572 1.931 30 10 JDEE CC1(C)OB(c2nc(=NC(=O)C(F)(F)CNC(=O)OCc3ccccc3)s[nH]2)OC1(C)C 2243675930 CEHPUAUREUDXHY-UHFFFAOYSA-N 468.291 1.759 30 10 JDEE CS[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248485084 GAPCDQDYBHWMAL-WDEREUQCSA-N 458.415 1.843 30 10 JDEE C[C@H](NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)[C@@H](C)NC(=O)OC(C)(C)C 2255931520 MKRQCXINPCXQOH-KGLIPLIRSA-N 455.386 1.961 30 10 JDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256629038 PNUXYFXEGGODGH-WYRIXSBYSA-N 454.358 1.128 30 10 JDEE C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267716675 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30 10 JDEE CCN1CCN(c2c(C=C3SC(=S)N(CC(=O)O)C3=O)c(C)c(C#N)c(=O)n2CC)CC1 2314461428 KRYLSFIXUPTKGS-UHFFFAOYSA-N 475.596 1.476 30 10 JDEE Cn1c(=O)c2c(nc(NN=Cc3ccccc3O)n2C[C@@H](O)COc2ccccc2)n(C)c1=O 2327749713 QBONBWGSYXIRJR-MRXNPFEDSA-N 464.482 1.025 30 10 JDEE CN(C)c1nc(N/N=C/c2cc(I)ccc2O)nc(N2CCOCC2)n1 8872815 KYRFUICWENRKHD-VCHYOVAHSA-N 469.287 1.530 30 10 JDEE CN(C)c1ccc(/C=N\Nc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc([N+](=O)[O-])cc2)cc1 33335092 HVENDNPZOUKWAC-FMCGGJTJSA-N 462.470 1.892 30 10 JDEE COc1cc([C@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)ccc1O 101442788 JBQHZVSDFFLMIB-XJKSGUPXSA-N 453.455 1.051 30 10 JDEE O=C1C(=O)N(CCN2CCOCC2)[C@H](c2cccc(O)c2)/C1=C(/O)c1ccc2c(c1)OCCO2 102547742 PXFICWDYVTYNPI-RKKARLDVSA-N 466.490 1.917 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCc3ccc4nc(O)[nH]c4c3)CC2)cc1 1136149214 BDAUGROSHHRDTF-UHFFFAOYSA-N 453.524 1.996 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)N[C@@H](C)C(=O)OCC)cc2)c1 1148379056 OLNUDPDTNSMHGQ-HNNXBMFYSA-N 457.508 1.532 30 10 JDEE C[C@@H](NC(=O)[C@@H](C)N1CCN(c2ccc(C#N)cc2F)CC1)c1ccc(S(N)(=O)=O)cc1 1190741272 CPCZRNRYTLCFEP-HZPDHXFCSA-N 459.547 1.733 30 10 JDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1286398029 VXDWTQFAFJEHTK-CTNGQTDRSA-N 474.583 1.516 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1N1CCOCC1 1286420039 KNGUIUYIDZUZHR-SFHVURJKSA-N 488.589 1.375 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCN2CCCS2(=O)=O)CC1 1286474262 BGSMYXMXKGUFBL-UHFFFAOYSA-N 493.431 1.498 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN2CCOC[C@@H]2C)CC1 1286484478 KYOIAXMFURSZFI-QFIPXVFZSA-N 452.603 1.950 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@](C)(OC)C2CC2)CC1 1286488571 OQSYANYSLYALDU-DNQXCXABSA-N 459.591 1.711 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCS(=O)(=O)C2)CC1 1286489144 HKUJHNQSDTXRPU-GOSISDBHSA-N 455.584 1.654 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)c2nccs2)CC1 1286492919 BSFJOINWSHAXFY-MRXNPFEDSA-N 455.588 1.627 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccco1)N(C)C 1286522857 OCVJPGVSOALKPM-ZWCUEREDSA-N 476.603 1.499 30 10 JDEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](NC(C)=O)C1 1286605961 BWKZPMLWOPMDRR-GOSISDBHSA-N 475.619 1.936 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1286820182 GQPIWVRRJRLNLE-IBGZPJMESA-N 478.663 1.669 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCS(=O)(=O)N(C)C 1288107222 GTWCNOUWZKQTAP-UHFFFAOYSA-N 489.602 1.227 30 10 JDEE CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1297707084 DCRFAPKQLTWOJQ-QGZVFWFLSA-N 498.588 1.819 30 10 JDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1 1299062815 IXNACILUEVZKPC-KRWDZBQOSA-N 453.561 1.907 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC(=O)N(CCOC)C1 1300476662 RCFMZVWCQPTEPL-MSOLQXFVSA-N 460.579 1.914 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC(=O)N(CC)CC)CC1 1300681944 FJRZMLLEVCWMFX-UHFFFAOYSA-N 452.563 1.329 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1300695842 MJBILEYQLIKGSF-UHFFFAOYSA-N 465.583 1.495 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(O)(CC)CC)CC1 1300698542 UTDYNEMASDTNSO-UHFFFAOYSA-N 463.586 1.981 30 10 JDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1300706243 JOVRJCXIXJJFLK-UHFFFAOYSA-N 496.612 1.949 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1300728798 GBJCIDILDCHZMH-UHFFFAOYSA-N 470.599 1.153 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1300728860 HSRUJNJXDZDLCJ-UHFFFAOYSA-N 475.640 1.721 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@H](C)C1 1300806031 OUXKAXPDEFJODO-OEMYIYORSA-N 451.593 1.418 30 10 JDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1301258967 DFSZETNHPGGGHV-UHFFFAOYSA-N 459.595 1.721 30 10 JDEE C=CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1301449734 ALXWNMACOJOHQA-QGZVFWFLSA-N 491.618 1.773 30 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C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1539219303 BRZFUPIYHJSLCE-WBVHZDCISA-N 477.974 1.566 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN1CCCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1539220267 HSHLVBUAXKEPPZ-WOJBJXKFSA-N 477.631 1.592 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N1CCCCC1 1539240099 XFSQTUZUMSAKGX-RTBURBONSA-N 458.588 1.781 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC2(S(C)(=O)=O)CCC2)CC1 1539462801 ZLWHHJVOXIJXAD-UHFFFAOYSA-N 487.626 1.978 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCS(=O)(=O)c1ccccc1 1539539170 RBZCWQGPXMEJLD-LAUBAEHRSA-N 479.628 1.744 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1539847117 AAIAYISKQLVZBK-RTWAWAEBSA-N 495.694 1.041 30 10 JDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1540870395 MGLITDLEZPBLBW-UHFFFAOYSA-N 451.575 1.999 30 10 JDEE CCO[C@]1(c2nnc(N3CC=C(c4ccc(C#N)cc4)CC3)n2CCS(=O)(=O)NC)CCOC1 1547883263 HWUFUGNJMUAXLZ-HSZRJFAPSA-N 486.598 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30 10 JDEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1594651109 GYPPIUQQQMBVSD-UHFFFAOYSA-N 499.641 1.897 30 10 JDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1594839657 PJWSJLUATPWBIT-SJORKVTESA-N 459.576 1.752 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CCOC)[C@@H](C)C1 1595490354 QMJPJDHNJXJPFW-AWEZNQCLSA-N 466.384 1.495 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 1595551314 OGEQGHUBHOKHRJ-IBGZPJMESA-N 483.598 1.071 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1595772738 HBIZKIFXQXARCP-LJQANCHMSA-N 458.588 1.664 30 10 JDEE CNC(=O)C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1618514209 FTRHHLNOFDHHHQ-QGZVFWFLSA-N 450.547 1.200 30 10 JDEE C=C(C)Cn1c(SCC(=O)N2CCN(C(=O)CN3CCCC3)CC2)nnc1-c1ccco1 1628009280 CLPJXXBBLOCUJZ-UHFFFAOYSA-N 458.588 1.973 30 10 JDEE C#CC[C@]1(C(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)CCCN1C(=O)OC(C)(C)C 1635793655 BJMJHLCXFVSWHZ-OAQYLSRUSA-N 456.609 1.510 30 10 JDEE N#Cc1cc(S(=O)(=O)N2CCCN(CC(=O)N3CCCC3)CC2)ccc1Br 1653545598 BCHUDMHQDBKUDP-UHFFFAOYSA-N 455.378 1.640 30 10 JDEE C[C@@H](CC#N)N(C)S(=O)(=O)N1CCn2c(Cc3cccc(Br)c3)nnc2C1 1664278743 GSUJMEXVNYDLQL-ZDUSSCGKSA-N 453.366 1.926 30 10 JDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1689874822 CCNUPKKIASNZKJ-QGZVFWFLSA-N 476.578 1.793 30 10 JDEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1689907865 OIJHGNWDVZQWMW-WOJBJXKFSA-N 470.618 1.927 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN(CC)CCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689988645 SYDXGJOGSMTWKG-CVEARBPZSA-N 490.552 1.130 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1689992338 JPLSMLZPXJAONV-KRWDZBQOSA-N 474.537 1.979 30 10 JDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1689996206 FBAPFJYKRXRQSV-IRXDYDNUSA-N 450.536 1.905 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCNS(=O)(=O)CC 1690035920 OFPAXZGOIJDZNY-UHFFFAOYSA-N 467.393 1.828 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(Cl)c1 1690046365 BHMCWAUSFVQCGM-HXUWFJFHSA-N 492.001 1.784 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(S(C)(=O)=O)CCC2)CC1 1690115194 WLPSUBWTUGAHKW-UHFFFAOYSA-N 458.544 1.576 30 10 JDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1690131146 UOXSZPAGNSXIJI-FYYLOGMGSA-N 453.587 1.879 30 10 JDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1690178536 BFWGPBWRHFMYGN-KRWDZBQOSA-N 451.560 1.162 30 10 JDEE C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1690629073 CHTZOTIFQVICJK-SFHVURJKSA-N 451.535 1.556 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(C)=O)C1 1690669073 SPVUENCKLDJYFP-SFHVURJKSA-N 492.584 1.472 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1690670975 MSEYNRSCYKWZNK-GOSISDBHSA-N 453.547 1.643 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)NCC)CC1 1690726696 JAAGKXOBJOCQHU-UHFFFAOYSA-N 460.604 1.516 30 10 JDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1692551406 FJXMECYMQSPUCT-KRWDZBQOSA-N 459.576 1.059 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1C(C)(C)C 1696491348 GOCVDSNKDCZYAQ-UHFFFAOYSA-N 474.635 1.840 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCCc2cnn(C)n2)c1 1696620520 HXSOCJMRQRXGJP-UHFFFAOYSA-N 483.602 1.697 30 10 JDEE CN(C[C@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N1CCSCC1 1696763077 FUEASQKNFDQAMX-GOSISDBHSA-N 476.628 1.668 30 10 JDEE COc1ccccc1OC[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1697604242 BLAFPHWTZKEEED-ZWKOTPCHSA-N 454.531 1.967 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCCc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1705558747 GXXGVEOMKKNYPD-GOSISDBHSA-N 490.655 1.929 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(NC(C)=O)nc1)[C@H]1CCS(=O)(=O)C1 1705563015 OWMPNZPKDJADLF-FQEVSTJZSA-N 494.577 1.982 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1705567119 ULMMNJZUMQEPIM-FQEVSTJZSA-N 451.552 1.816 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1705570841 SEWWWPATSDYYHM-GOSISDBHSA-N 478.018 1.921 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1705626640 DKVDJDNETPCBGN-JGCGQSQUSA-N 454.556 1.189 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)Oc2ccccc2)CC1 1705644864 DOYMLZJVEXJQKJ-MSOLQXFVSA-N 488.614 1.322 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](N2CCCC2)C1 1705661572 FFQPBUJHXCGUTR-RBUKOAKNSA-N 482.676 1.042 30 10 JDEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705724806 QVSWKSRRUHTFEW-UHFFFAOYSA-N 457.560 1.936 30 10 JDEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOCCCO)C[C@H]2C)CC1 1705982743 LLNFVCVSTBCLAC-HYBUGGRVSA-N 495.628 1.595 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(CS(C)(=O)=O)CC1 1722291360 DWEZYAQXPZAAHH-MRXNPFEDSA-N 468.583 1.958 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1722364465 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1722663593 BVJFBYKHHWUSDQ-DOTOQJQBSA-N 464.617 1.765 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1722699437 UTIPEWLQQBBALJ-QGZVFWFLSA-N 458.538 1.949 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@](C)(C(=O)NC)C1 1722728726 APDNQFSXGQNUBJ-QFIPXVFZSA-N 461.588 1.441 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722730486 UEUYVEYSAWFORV-NRFANRHFSA-N 487.626 1.492 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCS(=O)(=O)CC1 1722730649 YMQOCUISLBIXDP-UHFFFAOYSA-N 452.602 1.289 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722732431 ZBIHYLMDBVAIJC-NRFANRHFSA-N 463.535 1.313 30 10 JDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1729369165 FMGWNRFNIQQMPC-XHDOVSQSSA-N 463.585 1.263 30 10 JDEE CS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2C#N)CC1 1731007846 ALPMTRCFUMVJPH-UHFFFAOYSA-N 451.556 1.507 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N2CCCCC2)C1 1740573692 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1740690012 MHXUWUHJFSQKHR-UUWRZZSWSA-N 477.594 1.607 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCO[C@@H]1C 1740726869 RCPUYGBZWDQSSL-NLSFWIRASA-N 473.599 1.727 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([S@@](C)=O)CCC1)C1CC1 1740909898 COVAAWHQUSVPQP-GUNSETOZSA-N 457.622 1.067 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1740961958 NSTYQNAJMLNDSJ-MHECFPHRSA-N 455.559 1.954 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1740986130 SSZSWOTYHUEQAG-UHFFFAOYSA-N 475.619 1.536 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2cnccc2c1 1740991825 FRMQJNLNWWFUNE-HXUWFJFHSA-N 489.623 1.966 30 10 JDEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)C1 1746956184 DXBSTDJZAPAITR-ZGIGLSJSSA-N 468.558 1.751 30 10 JDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)C(C)(C)C)c1 1747600802 GGSJUJDLXXENRW-QFIPXVFZSA-N 491.593 1.800 30 10 JDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1748808784 NLJGXEVXXAOBBA-QGZVFWFLSA-N 471.004 1.660 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748811759 KSAZISVWNCWNIZ-XXBNENTESA-N 453.568 1.818 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1748824770 STAHFPDNJQAYPI-CEXWTWQISA-N 490.582 1.032 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(CC)cc1)N(C)C 1748929084 CKNIBJPDMPGGCM-YADHBBJMSA-N 488.658 1.936 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCCN2CC)CC1 1748979979 VLCAKMZZPOFKNL-NRFANRHFSA-N 485.658 1.435 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCn2cncn2)CC1 1748984158 HDKMBQFKESNWCL-UHFFFAOYSA-N 450.547 1.788 30 10 JDEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2CCS(=O)(=O)N2CCSCC2)CC1 1749292652 TVZSYODZRATRCU-KRWDZBQOSA-N 459.638 1.537 30 10 JDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1749640302 NHHOTPRZCQFRAV-UHFFFAOYSA-N 471.631 1.980 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@](C)(N2CCOCC2)C1 1749671704 GUHFHHXXCVTPTI-QHCPKHFHSA-N 460.529 1.750 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCC(OC)CC2)C1 1749713547 UPDGJGQIHCCVJA-TUNPWDSISA-N 483.635 1.598 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)C[C@@H]1C 1749898175 BMRFHDWTYYUDJI-LEWJYISDSA-N 483.617 1.606 30 10 JDEE Cc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3cc(C#N)ccn3)CC2)c1 1751635470 BLXNKDFGYMMTFF-GOSISDBHSA-N 480.598 1.838 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760180665 IYDSWSDBMQMRGZ-ZJSXRUAMSA-N 493.674 1.821 30 10 JDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@](C)=O)CC1 1760247911 VFILGLSZSNDRDS-HKBQPEDESA-N 464.617 1.235 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2CC2CCN(C(C)=O)CC2)n1 1760252443 NSBZZFLBFXDQPI-JOCHJYFZSA-N 483.617 1.913 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1760346028 DWHGUTZHDRHYSU-FQEVSTJZSA-N 494.662 1.806 30 10 JDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760359669 SSALREKVHZNYFN-REWPJTCUSA-N 467.618 1.845 30 10 JDEE C=C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCS(=O)(=O)NC(C)C)CC1 1760389201 FWZORTLRDBMRSR-UHFFFAOYSA-N 474.635 1.936 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760520038 YACQSRLHAWTNJI-KRWDZBQOSA-N 454.556 1.809 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1760527053 XKRDGGDNSXHZSZ-LJQANCHMSA-N 467.574 1.816 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1Cc2ccccc2[C@@H]1C 1760554785 MNQPYYSUNSULHT-RDJZCZTQSA-N 450.586 1.862 30 10 JDEE C[C@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1763253848 FQPHHMNNSVZHSG-HNNXBMFYSA-N 450.590 1.562 30 10 JDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1766957922 BKKUBPLFHZWLNH-AEFFLSMTSA-N 463.585 1.265 30 10 JDEE COC[C@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1769406546 GUYCYLRADFFGSZ-IBGZPJMESA-N 476.603 1.873 30 10 JDEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC2CCCCC2)CC1 1771360208 BSZILSDOYKWZCT-UHFFFAOYSA-N 485.614 1.737 30 10 JDEE C=C1[C@@H](O)[C@]23C[C@@]1(OC(C)=O)CC[C@H]2[C@@]12CC[C@H](OC(C)=O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC 1848441237 NYZNMWNVMVARKT-BSYHQWGNSA-N 462.495 1.452 30 10 JDEE Cc1c(C(=O)N2CC(NC(=O)OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2247830311 YEIKIDWVODVVFK-UHFFFAOYSA-N 454.336 1.779 30 10 JDEE Cc1sc(C)c(S(=O)(=O)N2CC(NC(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2255955797 TXSOURDORXQHSG-UHFFFAOYSA-N 468.328 1.716 30 10 JDEE Cc1nn(C)c(C(=O)N[C@@H]2CCON(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267146765 PIQDIFGEAGQZOG-CQSZACIVSA-N 450.345 1.699 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC[C@H](COCc3ccccc3)C2)n1 2267473712 JMZDXTIYVMGMHI-SFHVURJKSA-N 461.393 1.947 30 10 JDEE CO[C@H]1C[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267518633 FVEPOGYNYPNKQL-KGLIPLIRSA-N 450.345 1.463 30 10 JDEE CN(C[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCO1)C(=O)OC(C)(C)C 2267524436 QBUSLQPQPRCWFQ-AWEZNQCLSA-N 450.345 1.417 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268653651 PWFTUHJCUHISER-AWEZNQCLSA-N 466.413 1.658 30 10 JDEE COC[C@H](CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1)NC(=O)OC(C)(C)C 2268721958 SJSHNDILBSFGHO-AWEZNQCLSA-N 450.345 1.953 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2COC[C@H]21 2282035957 BTQNPUMUWOHFEV-HZPDHXFCSA-N 462.356 1.180 30 10 JDEE Cc1nn(C)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2282564818 ZVZDKHPAHIBTGO-HUUCEWRRSA-N 464.372 1.128 30 10 JDEE Cn1nc(C(=O)N=[S@@](C)(=O)CC2CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282612603 GPMMPHCVJZNGEM-XIFFEERXSA-N 482.412 1.824 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC23CCC3)n1 2282649087 WGXRMLYUFOZCBC-AWEZNQCLSA-N 461.372 1.634 30 10 JDEE CN1CCN(C(=O)OC(C)(C)C)[C@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 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CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)c2ccc(O)nc2)CC1 726868456 CDMDRPLBAPJBSN-SFHVURJKSA-N 485.566 1.369 30 10 JDEE C#CCN(C(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)[C@H]1CCS(=O)(=O)C1 729334814 WABIHXOXZWLODO-HOTGVXAUSA-N 454.495 1.789 30 10 JDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2[C@@H](NC(=O)OCc3ccccc3)[C@H]3C=C[C@H]2C3)CC1 1144026709 KAVBKSIIOSVLJW-WMIMKTLMSA-N 464.566 1.387 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1OC 1286293952 ANUMZMIPGBHNNY-HNAYVOBHSA-N 463.560 1.134 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1286389536 LUDLGPNULVTOFA-IBGZPJMESA-N 479.566 1.112 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286390241 ZBZNRAGHFFGDCQ-CMKODMSKSA-N 459.620 1.426 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1286396452 FNDADWXJWWYMIZ-KRWDZBQOSA-N 459.959 1.369 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(C)(C)C2CC2)CC1 1286487797 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C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1300483920 PKAYGPLJHZIYNT-URXFXBBRSA-N 487.626 1.693 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1300497427 BHQLGZDUYZFFHA-FQEVSTJZSA-N 464.551 1.038 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc2c(s1)CCCC2 1300630533 DIGYKUZIMQCRPD-KRWDZBQOSA-N 478.644 1.649 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC(OCC)C1 1300630821 GTGHANCCEMVRIM-OTQYULQBSA-N 463.579 1.976 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCc2ccc(OC)c(OC)c2)CC1 1300697657 GKNQACTYEYHDEC-LJQANCHMSA-N 452.559 1.634 30 10 JDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCC(=C)C)CC1 1300700592 SQKDECRMNCYJGD-UHFFFAOYSA-N 450.591 1.800 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCC[C@@H](C)C2)CC1 1300722531 KMLCWEHGUHYJRI-TZIWHRDSSA-N 469.634 1.707 30 10 JDEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1300769695 IRIDNWSZFOCBSX-LJQANCHMSA-N 496.637 1.668 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)CC1 1300869579 MTWRWPXGNMATSW-NQIIRXRSSA-N 488.614 1.503 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccn1 1300883515 CBVCCWAVDCHWQZ-RLLQIKCJSA-N 476.603 1.624 30 10 JDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300997756 YSGVOKWWFSCCDN-UHFFFAOYSA-N 475.619 1.801 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1301356922 GEXWFFJHFUXAEE-RTWAWAEBSA-N 482.628 1.734 30 10 JDEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1301357049 HXNOWGDGGJFVEP-MRXNPFEDSA-N 466.633 1.952 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC(=O)N(C)C[C@@H]1C 1301484021 ZMYILRQJDUZUER-LBPRGKRZSA-N 465.327 1.816 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(n3cc(Cl)cn3)CC2)nnc1[C@]1(OCC)CCOC1 1301519632 QZVVHGIKMTUAPE-NRFANRHFSA-N 463.970 1.924 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(S(C)(=O)=O)CCC2)C1 1301544244 UZCOJGOETAZTEH-UWJYYQICSA-N 454.593 1.679 30 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10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1359184013 ZOGXCPYGQKHACD-UKRRQHHQSA-N 453.569 1.760 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1359291321 MAGXYWIXAVLNLY-UHFFFAOYSA-N 493.543 1.941 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)N(C)C[C@H]3C2)cc1 1359306626 MFWPHXLLSBUPAY-AEFFLSMTSA-N 489.602 1.057 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(NC(C)=O)nc2)C1 1359322407 VEGCVFNHJWBJJX-QZTJIDSGSA-N 460.560 1.363 30 10 JDEE CC(C)(C)[S@@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1359587883 DLEZTYPGJOFVRA-UMSFTDKQSA-N 484.630 1.655 30 10 JDEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3C#N)CC2)cc1 1474814745 GFIBQAIEAOZJQX-UHFFFAOYSA-N 450.929 1.779 30 10 JDEE Cc1nc(CN2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCNC(=O)C(C)C)CC2)no1 1492692730 CWLLTKUKSUKVPV-UHFFFAOYSA-N 477.573 1.993 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCOc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1507625818 LGFVLDDRSNMPFE-CVDCTZTESA-N 492.573 1.775 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507629941 RCTFTMKHOMBVSB-ZRCGQRJVSA-N 496.637 1.943 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cc(C)cc(C)c1 1507653624 OYNGRHDAZLFFOR-OAQYLSRUSA-N 471.583 1.380 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N(C)C)c1 1507669910 VFIYRVWOCNJURA-FQEVSTJZSA-N 453.568 1.393 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1508131409 MBFRDFSJUXPXQF-UHFFFAOYSA-N 452.625 1.137 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1508132391 XYOWITMGUTUNAQ-SFHVURJKSA-N 466.652 1.572 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2ccnn2C)C1 1508152804 RGVLEAQUGGOFAS-HOTGVXAUSA-N 453.638 1.925 30 10 JDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1536901323 YMHJMJIDGFEMAI-HOCLYGCPSA-N 459.362 1.791 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc2c(s1)CCCC2 1539012999 HOEXHOCALXTPMU-NVXWUHKLSA-N 478.644 1.647 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(S(=O)(=O)NC)c1 1539015120 SOVOMMOWYFYTPE-GOSISDBHSA-N 494.625 1.866 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(CCC(C)C)CC1 1539180003 VEIHPMANUAWRHH-FQEVSTJZSA-N 466.652 1.439 30 10 JDEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1CCNS(=O)(=O)Cc1ccon1 1539182991 PFZGNWGUXDCHIW-UHFFFAOYSA-N 450.471 1.324 30 10 JDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539230374 GHAUKJPPYGBQRI-GUDVDZBRSA-N 479.647 1.596 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCOCC1 1539412962 FPMKCRWCAGXLHU-OAQYLSRUSA-N 452.559 1.196 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc4c(c3)OCCO4)n2CC(=O)N(C)C)n1 1539424812 XBNNTIYBNQRLJJ-UHFFFAOYSA-N 479.541 1.287 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)NCC)CC1 1539635109 FPSDWODNJMXHRZ-REWPJTCUSA-N 453.591 1.503 30 10 JDEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCNS(C)(=O)=O 1539704552 FDMJFSKWBBKNHD-UHFFFAOYSA-N 456.613 1.954 30 10 JDEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CCOC)C(=O)C1 1539730985 ULJPLSIIBVZAKK-UHFFFAOYSA-N 481.395 1.934 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C2CC2)CC1 1539751834 VZHGPYYNPCTNDZ-GOSISDBHSA-N 451.593 1.222 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC2(CC1)OCCO2 1539803935 OOUBEYHPRUCQGB-INIZCTEOSA-N 475.999 1.485 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCNC2=O)CC1 1539903227 UUZNMRICACHFNI-OAHLLOKOSA-N 453.613 1.485 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)CC 1540137932 WWVLTEZCQSWRCO-KRWDZBQOSA-N 470.592 1.947 30 10 JDEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCO[C@@H]1C 1540139762 LXMGQUAXWBUAPN-KHYOSLBOSA-N 455.606 1.682 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc3c2OCCCO3)C1 1540883365 YIHBJBCBAQDZNG-WMZOPIPTSA-N 477.587 1.879 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1540893490 DWYMZZPJGVJQJA-AZUAARDMSA-N 475.615 1.940 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1540897548 MAZCZZJZCOQWPH-DLBZAZTESA-N 461.592 1.445 30 10 JDEE COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)c(F)c1 1554940110 GWJKTSNTFUPRKF-KNQAVFIVSA-N 492.577 1.937 30 10 JDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1555197901 DFGVFKAIGJPZJS-JOCHJYFZSA-N 481.601 1.469 30 10 JDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2Cc2nccn2C(F)F)C1 1555812744 HWUJRUKFAYGFTO-HNNXBMFYSA-N 484.533 1.381 30 10 JDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccccc1CN1CCC[C@@H]1CO 1556168233 CMLDKBDMJIWGIB-LAUBAEHRSA-N 456.568 1.498 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC2CCS(=O)(=O)CC2)c1 1587689587 MNDMCDXZNNBEJA-UHFFFAOYSA-N 481.582 1.560 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)CN2CCOCC2)c1 1587692341 CNMIEDMHGYSLJT-NQIIRXRSSA-N 479.585 1.254 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OCCC)nc1)[C@H]1CCS(=O)(=O)C1 1588049544 ICBLWIFWLDSSEK-IBGZPJMESA-N 469.571 1.537 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1OCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1588050367 RWMSUIHNLZXPLT-OAQYLSRUSA-N 497.625 1.294 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588068928 CFKGCBLWWFBPFY-KNQAVFIVSA-N 487.674 1.888 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(OCCN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1588075102 XRYXPYDEAOYJMM-RBBKRZOGSA-N 487.626 1.745 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccc(F)cc1 1588646048 GMEOQQVOTMTOFJ-IERDGZPVSA-N 450.536 1.313 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 1588733441 SNZMPARRWLSKNZ-FQEVSTJZSA-N 477.613 1.846 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)N(CC)CC)CC1 1594240898 BZUXRGVENPQCDA-IEBWSBKVSA-N 454.641 1.744 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCS(=O)(=O)CC1 1594788425 MONUANJIRWGKDJ-UHFFFAOYSA-N 483.616 1.023 30 10 JDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1595334569 AULLUMWXTJQYNL-RXVVDRJESA-N 474.631 1.928 30 10 JDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1595682323 ZYYVHUQFJAFMLP-KBXCAEBGSA-N 486.392 1.367 30 10 JDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C[C@]2(CCOC2)O1 1612977728 HNJPROZOLDVUPN-VGSWGCGISA-N 490.586 1.004 30 10 JDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 1616735323 VASMRGJVVXVNRM-CALCHBBNSA-N 450.557 1.902 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3ccccc3Cl)CCOCC2)CC1 1678304041 LHTUVEKPSYPKJF-UHFFFAOYSA-N 454.980 1.183 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCCn2cc(Br)ccc2=O)[C@H](C#N)C1 1681433342 GCSCXSVOKWXJBU-TZMCWYRMSA-N 454.325 1.669 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C(CC)CC)N1CCOCC1 1689851966 YGZKOTOROPQMMA-YSIASYRMSA-N 451.637 1.775 30 10 JDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1c1cnn(C)c1 1690267031 RGJCOTJNLXAOQS-QUCCMNQESA-N 492.650 1.416 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1690287950 BGZRUCUZMJIYFA-IBGZPJMESA-N 482.557 1.792 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2cncn2)CC1 1690465421 ZYERAIWRCCUGDZ-IBGZPJMESA-N 478.623 1.475 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690664546 XGYGPVMWSMIIMS-LPHOPBHVSA-N 455.563 1.138 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C)C(=O)[C@H]1C 1690717710 NXUBPXTZQTYPNG-GFCCVEGCSA-N 471.381 1.303 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1690724122 IJZKAXOYJVQZKB-LJQANCHMSA-N 488.614 1.198 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C2CCOCC2)C1 1690724526 RAMRTZNOFHWZBY-ZWKOTPCHSA-N 472.633 1.034 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(N(C)C)CCSC2)CC1 1696592829 DMFBGXCBQZKXPC-XMMPIXPASA-N 482.658 1.464 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(CS(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1705561807 WOJCSIAYGMYLDA-IBGZPJMESA-N 478.640 1.795 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccc(C(N)=O)nc1)[C@H]1CCS(=O)(=O)C1 1705569973 IZYUBQATVIFCFV-IBGZPJMESA-N 498.996 1.691 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1705571484 ZXDUCOGAOMQFAW-MOPGFXCFSA-N 479.628 1.456 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1cccc(F)c1 1705628936 STRBFAKTCPKNCF-IRXDYDNUSA-N 450.536 1.873 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](c2ccc(C)o2)N2CCOCC2)CC1 1705632417 PMTGZIWLQWNANF-JOCHJYFZSA-N 497.644 1.927 30 10 JDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1705739010 RPAKTINZRFRCEF-OAQYLSRUSA-N 490.630 1.487 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1705805855 PXHDTEHDOASYPB-LJQANCHMSA-N 498.650 1.882 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1705907201 DIKPLZJHXVUJDH-OAHLLOKOSA-N 489.602 1.675 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1705907856 ZTBUWKLHHHRDLC-SFHVURJKSA-N 490.511 1.882 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCN(CCN(C)C)CC2)C1 1705925505 QAUKODHVOSYIDH-RTWAWAEBSA-N 480.679 1.235 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(C(=O)N(C)C)c2)C1 1705925664 SHVZNDVXKWNTCM-NHCUHLMSSA-N 487.626 1.906 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1705934071 AIMZPYGHYPHQCE-IBGZPJMESA-N 487.630 1.832 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCSC1 1705934878 ZRRYMQYDTJDKKR-OAHLLOKOSA-N 474.612 1.735 30 10 JDEE C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1)N1CCOCC1 1706781507 IAWRAAPVEPKGLD-KRWDZBQOSA-N 458.588 1.809 30 10 JDEE Cc1cccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)NC(C)C)c1 1707625495 ACCZSUIPFCZHRJ-FQEVSTJZSA-N 450.540 1.935 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCSC3)CC2)c1C#N 1707807622 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PGRAMLMJTKOVJF-NRFANRHFSA-N 457.623 1.045 30 10 JDEE C#CCCCn1c(N2CCC(CNC(=O)c3cnn(C)c3)CC2)nnc1[C@]1(OCC)CCOC1 1740596407 DYWQCQMFIULYPY-DEOSSOPVSA-N 469.590 1.724 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1cccc(F)c1 1740610181 UDZHVKPLNAWREF-YJBOKZPZSA-N 451.524 1.287 30 10 JDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1740628740 STGGTXGHRXVFBI-FQEVSTJZSA-N 484.626 1.943 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N1CCN(CC)CC1 1740639118 RHGJBTBNQAUEBT-FQEVSTJZSA-N 472.597 1.291 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1740671852 QAVYVUDBLQHUTL-DXIQSLLYSA-N 466.652 1.581 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccccc1)N1CCOCC1 1740678935 VRZFNOAEOPRNJX-QFIPXVFZSA-N 466.586 1.674 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCSC2)n1 1740689205 RHCHTKYACIFNIU-ROUUACIJSA-N 478.644 1.416 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1740704669 QXBHJVPSAFZQJB-UHFFFAOYSA-N 495.609 1.237 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cccc(CN3CCOCC3)c2)CC1 1740707438 BXSICKGZWVVSOQ-UHFFFAOYSA-N 480.613 1.661 30 10 JDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740716077 KPTQPKIPPUUVEE-UHFFFAOYSA-N 480.616 1.138 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC)(CC)C1 1740717140 KTKOZOJTMNWLOI-QGZVFWFLSA-N 455.650 1.994 30 10 JDEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1740835751 CJIJGQVVLFFKNY-JOCHJYFZSA-N 462.572 1.914 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)CC[C@H]2C1 1740987010 MVEUPTRNDXRYGU-SJORKVTESA-N 477.562 1.969 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1740991376 VMKVGLLUVQCKJP-KFWWJZLASA-N 452.499 1.929 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1740991924 IKQJFBZPIHLJQW-RTBURBONSA-N 480.635 1.355 30 10 JDEE 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C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1301505764 AQXJSSALLFEBRP-NRFANRHFSA-N 465.558 1.246 30 10 JDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(c3cccnn3)CC2)cc1 1301517620 BRJINODJRZKEDT-SFHVURJKSA-N 498.613 1.618 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)C(=O)C1 1301528652 FEUUCKOMKDZJJP-INIZCTEOSA-N 474.587 1.312 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(C)c2)C1 1301556235 GKHWYKZBNAHHNH-LEWJYISDSA-N 475.615 1.943 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCOC1 1301589880 ZFCTZMIYNLBBAR-SJORKVTESA-N 485.607 1.412 30 10 JDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1314001701 HNFRSCQOFVZZND-TZIWHRDSSA-N 485.614 1.593 30 10 JDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(=O)(=O)C(C)(C)C 1358971484 XREBDMJIJYAUCM-UHFFFAOYSA-N 490.655 1.833 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC[C@H](C)C1 1359024012 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C#CCn1ccc(CN(CCOC)C(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)n1 1525223073 AYFKBFJYHYUSMZ-UHFFFAOYSA-N 452.558 1.221 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)C1=O 1531911964 LVYFGFDMLPWRPH-UONOGXRCSA-N 458.437 1.145 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OC1CCCC1 1539017042 XIOYFXZDXDGGBW-XLIONFOSSA-N 488.614 1.834 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCCC2)nc1 1539239672 OJDSVQOQNRVMNY-GOSISDBHSA-N 455.588 1.395 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1OC 1539368641 AGBKICPWDXXBBF-YLJYHZDGSA-N 477.587 1.547 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1539434691 SRNDRODLFUPTLK-XTQSDGFTSA-N 461.526 1.235 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2C[C@@H]2C)CC1 1539469427 AHQXLYBHJBEJPC-LPHOPBHVSA-N 455.584 1.970 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1539490009 QLUGFZYPSGCVRN-REWPJTCUSA-N 497.596 1.883 30 10 JDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1539517682 QRFMTBISBWHIMN-WOJBJXKFSA-N 460.648 1.671 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](NC(C)=O)C2)cc1 1540877741 DLZNDCNGZNCUDO-WOJBJXKFSA-N 473.599 1.898 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc3c2OCCCO3)C1 1540883364 YIHBJBCBAQDZNG-SJLPKXTDSA-N 477.587 1.879 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1540900984 PCNPXIJJKJCELN-QUCCMNQESA-N 460.604 1.488 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1540908718 MGZATFXFDUEWRK-MSOLQXFVSA-N 489.598 1.714 30 10 JDEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1544321784 AMENZTNXHRHOEC-UIFIKXQLSA-N 452.536 1.985 30 10 JDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)c1 1545118185 ZDEOAEOPFDQAKW-IRXDYDNUSA-N 458.540 1.568 30 10 JDEE 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467.574 1.237 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCc2ccccc2F)CC1 1588923620 GVVCKLNGNDZGDR-HXUWFJFHSA-N 452.534 1.967 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1588924334 ZOPLJECOYVOAJD-LJQANCHMSA-N 467.549 1.448 30 10 JDEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1593671798 RGIWDGMCBNKCHM-UHFFFAOYSA-N 488.976 1.594 30 10 JDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1595033716 NUZLEQYRNBJWES-UHFFFAOYSA-N 480.612 1.443 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(CC)n1)C1CC1 1595058502 NUHKKTFMHBCUND-INIZCTEOSA-N 452.606 1.833 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(C(C)C)C1 1595217852 DBWHELLAWAJCFJ-PMACEKPBSA-N 466.652 1.910 30 10 JDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1595576917 CBEXIUCQSVKYMT-HSZRJFAPSA-N 473.599 1.791 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1595577089 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C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCOCC)CC1 1690124679 QZUXPGBDRZJAND-IBGZPJMESA-N 462.595 1.768 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CCCS(C)(=O)=O)CC1 1690132583 SWMSMJNBIMFZLF-UHFFFAOYSA-N 496.431 1.810 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(O)CC(OCC)C2)CC1 1690148611 MVVZDLQGVFXGNO-UHFFFAOYSA-N 469.561 1.904 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)CC1 1690174388 CBQQIAVMTWMGDQ-IBGZPJMESA-N 494.662 1.721 30 10 JDEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690508739 OLMZEWJBQCKXCI-FQEVSTJZSA-N 477.587 1.901 30 10 JDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690644290 BXZNZPNEKPIKSN-OAHLLOKOSA-N 475.550 1.293 30 10 JDEE C=CCn1c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1690653241 JBLYLEJEGZWIHR-JOCHJYFZSA-N 461.588 1.768 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1690669471 GGROGFQRZMGDTH-IAGOWNOFSA-N 470.509 1.071 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(F)(F)F)CC1 1690672047 GITBKQASAUTTRB-QGZVFWFLSA-N 466.464 1.777 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1690673251 RUQDQMYQOVSDIB-UHFFFAOYSA-N 452.588 1.653 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1690675861 HTIQSJIVURUFND-SFHVURJKSA-N 453.547 1.508 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1690723853 BZYHIDWURUSOTK-SJORKVTESA-N 450.565 1.848 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1690723945 FAEVXGDPYOAHMQ-HKUYNNGSSA-N 491.618 1.518 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)N3CCC(C)CC3)CC2)c1C#N 1693405534 AWIMEEVEYGOBTL-LJQANCHMSA-N 496.664 1.777 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC3CCCC3)CC2)c1C#N 1693405779 FTRCTTBYJJEMNP-MRXNPFEDSA-N 475.623 1.319 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1705559790 BKHPZKZUBLDWPT-DVECYGJZSA-N 498.609 1.749 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1705569137 ZVORKYBONQPYPE-FQEVSTJZSA-N 485.610 1.754 30 10 JDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CCC(=O)N1CCOCC1 1705602064 HLPMBPKTGOGWAX-UHFFFAOYSA-N 451.527 1.578 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCN(C)S(=O)(=O)CC)CC1 1705640410 QFCHJCLKRXQJDD-NRFANRHFSA-N 488.614 1.217 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1705650784 YKLQUAOTGXSIOZ-QFIPXVFZSA-N 492.672 1.503 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(=O)C(C)C)CC1 1705652159 RGDTYBZTXDDSEL-UHFFFAOYSA-N 455.588 1.987 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CN(C)C)c1 1705674759 QFPRBHACHAGFIQ-ZJSXRUAMSA-N 486.642 1.713 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1705707838 SHYTVERRJPCVPQ-XBJMDHIQSA-N 477.606 1.641 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(N)=O)C1 1705730545 KXFCIMQYOJYVKS-SFHVURJKSA-N 476.603 1.490 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(OC)c1 1705843880 PZNWOQPNIBQGQR-VQIMIIECSA-N 465.576 1.709 30 10 JDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H]1CSC 1705900960 VWHBFSMPMJOFMK-HNNXBMFYSA-N 463.633 1.872 30 10 JDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1712094163 BHKCXYRYFWYNQZ-PCCBWWKXSA-N 454.531 1.210 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1722358297 FVKUCRPDOZDEHQ-KRWDZBQOSA-N 462.601 1.148 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1722366891 SQUTYNTVYLWGAZ-WIYYLYMNSA-N 479.697 1.994 30 10 JDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1722369204 VWGQSBBQWJXUJY-QGZVFWFLSA-N 498.634 1.738 30 10 JDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1722372482 XSTSFJVVNVJGCP-IBGZPJMESA-N 468.583 1.386 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C\c1ccccc1 1722396732 KFEZFPFNYMEEGF-DGDFFNOKSA-N 453.568 1.787 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1722460349 DVERYOPPGBEHPB-RTBURBONSA-N 493.659 1.324 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cccs1 1722474360 NVOOPRJWZQDUHC-MAODMQOUSA-N 479.628 1.572 30 10 JDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1722523019 USJUYZUSTQHIRM-UHFFFAOYSA-N 457.560 1.286 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1722602648 AQEJMOXFUQHCBX-AZUAARDMSA-N 477.635 1.770 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1722703165 WNWDRJDSDURMFN-UHFFFAOYSA-N 482.564 1.916 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1722737186 WMKBELONUUROQH-BRWVUGGUSA-N 476.665 1.667 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc2c(c1)OCO2 1722740040 ZZAYEHHWSONOJC-IBGZPJMESA-N 495.627 1.895 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1740629563 RKZWODHEAAVUGI-LJQANCHMSA-N 463.586 1.938 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2nc(C)c(C)s2)CC1 1740690687 ZWBAKCFPNRCHCI-UHFFFAOYSA-N 450.572 1.997 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1740692294 UOPHUAAQGWFOSC-HXUWFJFHSA-N 467.954 1.042 30 10 JDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740720306 UJIIXIBQMZMUMQ-GOSISDBHSA-N 465.649 1.272 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCN(CC)CC1 1740731524 CVUXWXKEDNBDIY-NZQKXSOJSA-N 478.663 1.725 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC(C)(C)C)CC1 1740792792 MMUYWFUKLPHGLP-IBGZPJMESA-N 485.651 1.988 30 10 JDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(C(N)=O)CCOCC1 1740938334 DIIXOURJINEXLR-UHFFFAOYSA-N 457.531 1.637 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(n2ncc3ccccc32)CC1 1740951002 PBXZUKPFUKKJQE-UHFFFAOYSA-N 450.547 1.910 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1740955479 VRJGHNGEHPLEKU-SFHVURJKSA-N 497.600 1.055 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](S(C)(=O)=O)C1 1740968193 DXTHSMQEXCPTPR-WBVHZDCISA-N 483.616 1.125 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCN(C(C)=O)CC2)C1 1740983113 BIRSPIGUZLPTPU-HXUWFJFHSA-N 459.620 1.579 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1740990488 BAZCEWBBCZNWCV-FXAWDEMLSA-N 464.636 1.135 30 10 JDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1740994859 VQMQYOKYZLXETA-CQSZACIVSA-N 493.533 1.638 30 10 JDEE CCCN1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)NCC)CC2)C1 1745681018 BCLKZBXQEVRKQN-OAQYLSRUSA-N 464.618 1.807 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1748801806 HBJXKROBZYXFKA-FQEVSTJZSA-N 473.574 1.913 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748811079 BFPVJKJGQNXECA-INIZCTEOSA-N 456.494 1.461 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC(=O)NCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748824199 KXBKFLRLYQQUGQ-WOJBJXKFSA-N 471.583 1.463 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1748864194 SSUYRRKEOJNKLX-QZTJIDSGSA-N 480.635 1.997 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1cc(Br)cn1 1748962120 AIMJLARDRSMQML-HNNXBMFYSA-N 485.408 1.316 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cccnc2OCC)CC1 1748980047 XGSJLHJXXADOLO-UHFFFAOYSA-N 480.594 1.946 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCSC2)CC1 1748989754 OISIWFAKCXGUID-JPYJTQIMSA-N 492.646 1.210 30 10 JDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1749037892 HTLDBIAIQICUHN-PWRODBHTSA-N 474.675 1.965 30 10 JDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749199526 UXSZGLBNOHRQBI-UHFFFAOYSA-N 452.606 1.706 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)C1 1749228896 FDIBYHPEVBCSIJ-YLJYHZDGSA-N 457.597 1.209 30 10 JDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H]2CCCO2)CC1 1749354363 OKMXSUZNROGKIW-ZWKOTPCHSA-N 454.641 1.792 30 10 JDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1749676955 JEUHXPIWCZRWAD-GHTZIAJQSA-N 457.623 1.302 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1749687221 OJASTWBMYUBDTK-KRWDZBQOSA-N 461.588 1.997 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1749736191 GJTGTBJHDNOHHY-UHFFFAOYSA-N 489.001 1.780 30 10 JDEE C#CCN(c1nnc(CC)n1Cc1ccccc1CN1CCCC1=O)[C@@H]1CCS(=O)(=O)C1 1760185789 DNKSBDLRXIAMCQ-HXUWFJFHSA-N 455.584 1.638 30 10 JDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccnc(SCC)c1)[C@H]1CCS(=O)(=O)C1 1760187253 ISXXIDVGVSZJIP-ROUUACIJSA-N 461.613 1.964 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN(C)C(C)C)CC1 1760266069 OZKPOPGACJDJLO-DEOSSOPVSA-N 460.623 1.625 30 10 JDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1760300133 TVWSQFSWXDCRKO-UHFFFAOYSA-N 459.352 1.918 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC[C@@H]1C 1760358801 ZNLSMEJVDDGMCZ-DLBZAZTESA-N 457.597 1.207 30 10 JDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1ccccc1 1760362133 BPZXKXUYACFFLO-YESZJQIVSA-N 469.633 1.860 30 10 JDEE C=C(Cn1c(C(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)c1ccccc1 1760362323 HJHMXPFBMIWTEB-UHFFFAOYSA-N 450.547 1.582 30 10 JDEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1760423452 AEBBOXSEKXRDPS-UHFFFAOYSA-N 450.547 1.768 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1760450397 KFWHDAZWYLTKDX-LXGFNABISA-N 454.593 1.546 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(c2ccccc2F)C1 1760464877 QZBDEHRXWLSISS-FXAWDEMLSA-N 478.594 1.899 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1760554226 WIZREBVTVSRZKN-MRXNPFEDSA-N 477.591 1.782 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC1([S@@](C)=O)CC1 1761472620 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C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](F)COC 1300648291 BROGNQMLGZZCQC-MOPGFXCFSA-N 483.541 1.374 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCN(CC(F)(F)F)C1 1300649105 KOOIZMIXWQINAM-INIZCTEOSA-N 465.480 1.896 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCOCC3)cc2)CC1 1300710568 GXCAYPVGTCBSRK-UHFFFAOYSA-N 493.612 1.267 30 10 JDEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCn2cnnn2)CC1 1301112693 ZBILQTKLKWIDMX-UHFFFAOYSA-N 471.591 1.675 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1301483010 HGWZJAYKTMBNQC-CQSZACIVSA-N 492.353 1.705 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCSC(F)(F)F)C1 1301557199 NIXJFZKAXBUSGE-KBPBESRZSA-N 485.554 1.645 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCSC(F)(F)F)C1 1301557201 NIXJFZKAXBUSGE-UONOGXRCSA-N 485.554 1.645 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1301567785 LXOYUOBNLUNWFZ-SJORKVTESA-N 496.634 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1.592 30 10 JDEE C=CCCOCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359229898 YHYHRAUEZAVYTF-HXUWFJFHSA-N 496.612 1.894 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(CC(=O)OC(C)(C)C)CC2)s1 1454865961 XNWSAAIUMNGRQA-UHFFFAOYSA-N 457.618 1.677 30 10 JDEE C#CCOc1ccc(CNS(=O)(=O)c2c(OC)nn3cc(Br)cnc23)cc1 1463720803 CBDUHTGMWDONDO-UHFFFAOYSA-N 451.302 1.991 30 10 JDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1503827609 DGRGCQJCLXTDRC-IBGZPJMESA-N 487.586 1.157 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CCCC 1507616713 MQZQCAPLHGJZAK-OALUTQOASA-N 452.625 1.335 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1507637826 BVXYMNWAGUCTNU-PBYQXAPXSA-N 464.613 1.561 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1507640097 PHZADLOIHCBDLP-INIZCTEOSA-N 467.393 1.675 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCN1S(C)(=O)=O 1507710426 GHCNPASIKFQYNB-YLJYHZDGSA-N 475.571 1.301 30 10 JDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCC(=O)N2CCOCC2)CC1 1507727385 PEPYCPZCNNMJLK-UHFFFAOYSA-N 452.559 1.170 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC1CCOCC1 1507771843 DYSFQLNYMUNHDG-DENIHFKCSA-N 465.620 1.810 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)=O)CC1 1507798724 UEBUBAOVEXKBNW-PZJWPPBQSA-N 473.599 1.998 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC 1507820788 NAZAHQZCBWKALM-MRXNPFEDSA-N 472.612 1.538 30 10 JDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1507837680 UQQVQHKUBLYHKY-MRXNPFEDSA-N 456.613 1.176 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnc(C)s1 1508037874 FDECESKBTLJNCL-INIZCTEOSA-N 456.594 1.063 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2csc(C)n2)CC1 1508072220 ONXQJYBPNBPACJ-UHFFFAOYSA-N 481.586 1.315 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1508093705 WNXYTULEXRBBPB-FQEVSTJZSA-N 465.558 1.189 30 10 JDEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(C)(=O)=O)CC1 1508110324 ZLGIYLBNSSZKAY-FPOVZHCZSA-N 491.614 1.697 30 10 JDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1508146845 CDKBQTZWJXOYEJ-HNNXBMFYSA-N 465.605 1.315 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCN1CCC(O)CC1 1509664255 GLYWJNQPBUJMFT-UHFFFAOYSA-N 494.644 1.851 30 10 JDEE CCCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1515103353 CQPMNLIZMUANOI-UHFFFAOYSA-N 451.510 1.542 30 10 JDEE C=C(C)Cn1c(SCC(=O)N2CCN(CC(=O)N3CCCC3)CC2)nnc1-c1ccco1 1531153098 SJRFKPHOUBTHOZ-UHFFFAOYSA-N 458.588 1.973 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)COC)c1 1539042346 FFQKREITWCTOGK-WMZOPIPTSA-N 459.572 1.519 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CCCO2)CC1 1539072614 SLSRLYKUZXUIEM-PMACEKPBSA-N 465.620 1.810 30 10 JDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCS(=O)(=O)CC1 1539180095 WPMRIXWXYOSSCH-KRWDZBQOSA-N 467.592 1.481 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1539210860 HDFLEYRCMUHGKS-QFBILLFUSA-N 471.583 1.495 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)F)c1 1539415508 FHAAYYDPCZEDOL-SFHVURJKSA-N 483.541 1.683 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1539477115 IMOFGOOPSLPENK-LEWJYISDSA-N 481.576 1.637 30 10 JDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1539517193 JSBCIPWZNXUPCL-CVEARBPZSA-N 451.618 1.042 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1539629413 XCZJBMIUAUHOAR-YLJYHZDGSA-N 475.619 1.967 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539645115 QIGPIVNILCMKRF-ZJSXRUAMSA-N 484.649 1.768 30 10 JDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)Nc3snc(C)c3C#N)ccc2F)CC1 1539665383 WIMSCCFOGNTSCF-UHFFFAOYSA-N 451.505 1.567 30 10 JDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1539752474 PCWWLRLTPGCJAP-NRFANRHFSA-N 453.591 1.599 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1540873191 QLYHXQWRMNHYCK-LJQANCHMSA-N 485.658 1.756 30 10 JDEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C1 1547220336 HYHQBDKLYKGDAL-YKSBVNFPSA-N 451.575 1.626 30 10 JDEE CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1547555408 HXBVQIUZFSEZCO-UGKGYDQZSA-N 475.571 1.284 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1552379133 DIJDWLULUWTXMJ-UHFFFAOYSA-N 484.586 1.375 30 10 JDEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1 1556363249 IDHKSUPKUZTMOD-UHFFFAOYSA-N 456.524 1.621 30 10 JDEE Cn1c(=O)c2cc(C(=O)N3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)n(C)c2n(C)c1=O 1556453422 AJXLYPVSZSLEQW-GOSISDBHSA-N 454.918 1.252 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(OC)c(OC)c(OC)c1 1587641131 XUTLJARENLOLPQ-DNVCBOLYSA-N 493.586 1.143 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 1588024515 FXWNSERSRHTLRB-CQSZACIVSA-N 467.954 1.884 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1588050918 XYVIOICEGUJCHR-KRWDZBQOSA-N 457.585 1.471 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1CCN(C(=O)OC)CC1)[C@H]1CCS(=O)(=O)C1 1588055727 YQRSPTGBCHLMCG-OALUTQOASA-N 479.603 1.277 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCN1CCOCC1 1588144070 SCBYRCBFHCJUDT-OAQYLSRUSA-N 486.617 1.772 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1588200506 SJGWIYHDLBZONQ-GOSISDBHSA-N 464.555 1.209 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC2(C1)OCCO2 1588595372 RMEQYDSHGFIFQX-SFHVURJKSA-N 474.583 1.978 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C)cc2OCCOCC)CC1 1588805717 ATWNPWJNEWBVAH-NRFANRHFSA-N 466.586 1.756 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCC(=O)NC(C)C)CC1 1588930157 OOMMAGGEOQRKOQ-NRFANRHFSA-N 480.569 1.671 30 10 JDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1594680304 RFYZDVGZCJHBAF-BJLQDIEVSA-N 481.667 1.233 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1595561956 IXOMWRMBTIXMBI-UHFFFAOYSA-N 480.617 1.091 30 10 JDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCO[C@H](C)C2)CCO1 1596641364 FTSJORWTFHMNMC-AUSIDOKSSA-N 481.601 1.659 30 10 JDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N1CCOCC1 1611600596 BLFGEGXMPAXSQD-WIYYLYMNSA-N 488.614 1.463 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H](C)N(C)C 1611708683 DNKBAVKFNIGWFF-ROUUACIJSA-N 474.635 1.032 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1617385791 DXMOVYOZQQYTML-HXUWFJFHSA-N 495.613 1.651 30 10 JDEE CN(C)C(=O)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1617586680 AUQMVDNCYQGXOX-HXUWFJFHSA-N 464.574 1.291 30 10 JDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2nn[nH]c2C(=O)OCC)ccc1F 1637910571 SDOBVJIDFSUTNY-AWEZNQCLSA-N 451.480 1.562 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)s1 1643543935 FJXZJUOGSWWMKV-LBPRGKRZSA-N 453.508 1.815 30 10 JDEE C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)nn1 1683483417 ZNCLMJYHGKPNBQ-UHFFFAOYSA-N 459.359 1.987 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)c1ccccc1 1689852439 FHJCTWHTWBARLY-IRXDYDNUSA-N 450.586 1.502 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC2(O)CCOCC2)c1 1689868961 WLHAXIWBFJMZTD-UHFFFAOYSA-N 454.531 1.014 30 10 JDEE C#CCCCCn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1689906633 PTPHKYINNJADFA-HYBUGGRVSA-N 459.591 1.950 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2C[C@@]2(O)CCSC2)n1 1690109477 SQDNJIDCZDLZRG-KNQAVFIVSA-N 460.604 1.870 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCC(=O)N(C)C)CC1 1690122637 XLDCMOKFBKMABE-UHFFFAOYSA-N 476.585 1.299 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)CC1 1690132081 GPNBGELILAMVFL-JGCGQSQUSA-N 452.584 1.785 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[S@](=O)CC)CC1 1690140451 ZDKYZFPAYDMALG-MGBGTMOVSA-N 473.599 1.697 30 10 JDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1690302625 HNFQXBKDZRQISI-UYAOXDASSA-N 488.614 1.503 30 10 JDEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690306027 MLWXQWVTUQDXHG-LJQANCHMSA-N 498.584 1.481 30 10 JDEE C=CCCOCCn1c(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)nnc1C(C)(C)C 1690512379 VZZOAOOLAHIMKW-SFHVURJKSA-N 455.625 1.799 30 10 JDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1690539468 APKCBWKQCRPVIO-HXUWFJFHSA-N 466.585 1.053 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690667333 ZNOFFBIZQNPISB-CQSZACIVSA-N 474.363 1.566 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCSC1 1690671870 ATGQGIMRZQHHFE-JKSUJKDBSA-N 466.608 1.830 30 10 JDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705514949 OEHRTBIJXUJTTL-SFHVURJKSA-N 473.603 1.383 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1705565996 LCCLWLQDTVECAH-OIISXLGYSA-N 497.668 1.376 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705570902 VJCXATBGEOCVDS-OAQYLSRUSA-N 456.616 1.765 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CCS(=O)(=O)NC 1705593670 HATFLKFOVTZTRD-UHFFFAOYSA-N 450.362 1.720 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCN(C)C)cc1 1705598455 KBSWNZZUUMNOOP-NRFANRHFSA-N 469.611 1.632 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)c2ccccc2)CC1 1705634741 HSJKZFKSMNTFHF-XMMPIXPASA-N 487.626 1.548 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(=O)(=O)CC)CC1 1705646205 UIILKNNYCMXEPQ-UHFFFAOYSA-N 483.598 1.112 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCS(=O)(=O)NC(C)C)CC1 1705650319 OUXDOPOJUNSYTO-UHFFFAOYSA-N 478.644 1.224 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(CN3CCCC3=O)cc2)CC1 1705653016 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C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(N(C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722361785 JTXSATVCBCMBJL-GOSISDBHSA-N 493.033 1.731 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1722369604 BZPUWIMMKTTYSI-OTWHNJEPSA-N 466.604 1.588 30 10 JDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1722370580 CNYPUNWIFITXFB-TZIWHRDSSA-N 456.568 1.871 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccc(C=C)cc1)[C@H]1CCS(=O)(=O)C1 1722372132 PYACJLVTVKJZNR-NRFANRHFSA-N 467.595 1.913 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2[nH]ccc2c1 1722395933 DPYPKSBLENMCBE-JOCHJYFZSA-N 480.594 1.798 30 10 JDEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2C[C@](C)(O)CC)CC1 1722438715 ZLLAFDRIOYBQBO-RUZDIDTESA-N 463.586 1.981 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC2(C(=O)NCC)CCC2)CC1 1722438741 ADRYOHIWWAVIKS-UHFFFAOYSA-N 450.587 1.939 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCOc2ccccc2)CC1 1722443957 RCJCSHRAOQGNNL-VWLOTQADSA-N 467.570 1.975 30 10 JDEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1722447434 NGZSWNANIVFWAT-VWLOTQADSA-N 479.585 1.218 30 10 JDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1722459161 DSIGPIZLLHWDPJ-GOSISDBHSA-N 487.651 1.570 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1S(=O)(=O)N(C)C 1722471671 NFAXFYOWRXDGND-HTAPYJJXSA-N 456.572 1.520 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1722523579 ZJMSXABEFTXSLW-GJZGRUSLSA-N 467.514 1.735 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1722629516 LBHFZRZHHUQCOG-UXHICEINSA-N 467.636 1.322 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1722697979 ARBYZULVNAWECN-NHCUHLMSSA-N 454.575 1.330 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1722729472 LSDGKTWIHSZCOB-RTBURBONSA-N 466.652 1.068 30 10 JDEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCSC2)CC1 1722973533 CHUNWQHYCQVMTC-HTAPYJJXSA-N 478.619 1.989 30 10 JDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1740595777 YGPXPWSQJGVZJP-HSZRJFAPSA-N 460.586 1.902 30 10 JDEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740627687 IYSZAMKHAUEBKT-DRMXPCRNSA-N 488.610 1.586 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCN1S(C)(=O)=O 1740655977 HGOKGAKDMZMXDH-WIYYLYMNSA-N 469.567 1.678 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1740705056 BOIILKCLLMVVBC-NVXWUHKLSA-N 473.578 1.108 30 10 JDEE C#CCSCCn1c(COc2ccccc2F)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1740722108 DUPZXHICSDYMMN-KRWDZBQOSA-N 462.572 1.989 30 10 JDEE C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1740778820 GARNXBCOTRMJQQ-NRFANRHFSA-N 466.586 1.904 30 10 JDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1740810881 IEGJXGYIPHYXCC-MSOLQXFVSA-N 455.003 1.588 30 10 JDEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1740878438 WXZCOLXTGHUNRG-FQEVSTJZSA-N 460.604 1.861 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(c2ccccc2OC)C1 1740900632 UWVZNARDEGIUFU-RXVVDRJESA-N 490.630 1.768 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1740953965 XRDRAAMEKXJTLS-LJQANCHMSA-N 452.559 1.999 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1740954925 JHNIGBCAWFPCDK-UHFFFAOYSA-N 453.510 1.712 30 10 JDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCCN(C(C)=O)CC1 1740962475 FEKVLDJRKMTRBF-UHFFFAOYSA-N 494.644 1.004 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2F)C1 1740983029 ZSCXEGAGMWUBBF-IEBWSBKVSA-N 465.551 1.580 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@](C)(OC)C1 1740990389 SUKKDOLCPXGGAI-HSZRJFAPSA-N 486.598 1.798 30 10 JDEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCC(=O)NCCC)CC1 1748978248 JBAIXAIPAJQAEJ-UHFFFAOYSA-N 486.646 1.218 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(F)(F)Br)CC1 1749001495 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1760179487 SDQDVSCGULWOQZ-HXUWFJFHSA-N 476.647 1.263 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CCN1CCOCC1(C)C)[C@H]1CCS(=O)(=O)C1 1760183685 CSADSWQFODZUPM-SFHVURJKSA-N 475.590 1.822 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1760191236 DCUBCGFZWIPXPE-IBGZPJMESA-N 471.583 1.474 30 10 JDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCO[C@H]1CCOC1 1760200691 RSXCOTKSOSILNN-SFHVURJKSA-N 456.572 1.507 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NCC(F)(F)F)CC1 1760255086 BQFXVFDSWYUWTQ-UHFFFAOYSA-N 451.409 1.287 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN(C)[C@H](C)CC)CC1 1760255340 HRRLPYDBGVUFGM-LJQANCHMSA-N 458.632 1.834 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(O)CCOC2)CC1 1760266098 PTEXBVHHBUYWOZ-BXKMTCNYSA-N 471.533 1.674 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1N1CCOCC1 1760289984 ULNWKSNYBRBXRQ-FDDCHVKYSA-N 472.615 1.765 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1N(C)CCCC1(C)C 1760294733 FKIPZGISFWXETD-SELNLUPBSA-N 478.663 1.724 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1CCNS(=O)(=O)Cc1ccon1 1760296833 XJJLNGYGHGBXIU-OAQYLSRUSA-N 455.544 1.364 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)CC1 1760382772 XXMVCTFNUYGLOK-BZSNNMDCSA-N 480.614 1.391 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCCc2ccccc2)CC1 1760521478 UGCYGBURQYUPIO-HXUWFJFHSA-N 452.559 1.760 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1760525225 YBKPSQKUGKJOSG-UHFFFAOYSA-N 455.538 1.648 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1Cc2ccccc2C1 1760549135 XAMQQPDRHBVAON-OAHLLOKOSA-N 467.617 1.093 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760556420 CXUJTMYJYOBQAR-JOCHJYFZSA-N 478.640 1.793 30 10 JDEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(CS(C)(=O)=O)CC1 1760698327 GUIQWAVMWTYBII-AWEZNQCLSA-N 450.590 1.690 30 10 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FXRKLAWJKYUNJR-UHFFFAOYSA-N 453.547 1.153 30 10 JDEE C=CCn1c(C(=O)N2CCN(CC)CC2)cc2c(NCCN3C(=O)CSC3=O)ncnc21 1875232136 ATPGOLHCBPYLCZ-UHFFFAOYSA-N 457.560 1.502 30 10 JDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)[C@H]1OC 2140535938 RTPQYCYYDVHDSS-CGXNFDGLSA-N 458.559 1.872 30 10 JDEE CN(CC[S@@](C)(=O)=NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267116445 OLVJFLFGTSFGBP-JGCGQSQUSA-N 471.389 1.219 30 10 JDEE CC1(C)OB(c2cncc(S(=O)(=O)N3CC[C@@](C)(NC(=O)C(F)(F)F)C3)c2)OC1(C)C 2267376453 WEGOVNXZEPVXED-QGZVFWFLSA-N 463.287 1.212 30 10 JDEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2281976608 DLYACMFZXITDHN-HOTGVXAUSA-N 464.372 1.474 30 10 JDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]1(CO)CCN(C(=O)OC(C)(C)C)C1 2282011902 OMWCRIFLBIUFBK-JOCHJYFZSA-N 464.372 1.129 30 10 JDEE CC(C)(C)OC(=O)N1CC(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)(C(N)=O)C1 2282171769 OEDVWUSASIAXSC-UHFFFAOYSA-N 459.352 1.438 30 10 JDEE CN([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282338125 PCXQLHWMYTWABZ-OAHLLOKOSA-N 484.428 1.739 30 10 JDEE Cc1nc(C(=O)N2C[C@@H](O)CC23CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)s1 2282517935 CVQBGODBKYUPIG-AWEZNQCLSA-N 479.408 1.947 30 10 JDEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283060755 JSVJDSUBVWCYCW-CABCVRRESA-N 462.356 1.530 30 10 JDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@H]2CNC(=O)CN2C(=O)OC(C)(C)C)s1 2283987919 ONWJPVJHGSTMAN-OAHLLOKOSA-N 479.408 1.707 30 10 JDEE CC(C)(C)OC(=O)NCCc1nc(NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2337335478 ZYWGIXWFNLTLBR-UHFFFAOYSA-N 464.357 1.880 30 10 JDEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362353228 JWDHDQBVODKKEV-GJZGRUSLSA-N 464.372 1.474 30 10 JDEE CN([C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2369653055 VFISPKSOOBPIDC-GJZGRUSLSA-N 488.391 1.297 30 10 JDEE CCN(CC)c1ccc([C@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72443828 OOYUVERGXMAYBL-QZTJIDSGSA-N 463.542 1.542 30 10 JDEE CCOC(=O)[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccc(N(C)C)cc2)[C@@H](C#N)C(=O)N3)C1 72445727 BCSPQDYXMHFDHI-NXHRZFHOSA-N 464.526 1.839 30 10 JDEE C#CCN([C@@H]1CCc2ccccc21)[C@@H]1O[C@H](C(=O)OC)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 504409386 CCWDKVIEVCQLFZ-WVYLNQBTSA-N 487.505 1.302 30 10 JDEE CC(=O)OCC(=O)[C@]1(O)[C@@H](O)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](OC(C)=O)C[C@@]21C 504691931 MCXFEPIGNNTCAA-MVPWARMCSA-N 460.523 1.670 30 10 JDEE C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 609112585 GJSVOXABBULVAP-HNNXBMFYSA-N 466.523 1.086 30 10 JDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCNCC3)c(I)c2)OC1(C)C 725402322 GTOUIMBPSLNCLH-UHFFFAOYSA-N 478.161 1.184 30 10 JDEE COc1ccc(C=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCC(C(N)=O)CC2)cc1 1084514744 MBWHYPVCOLVHJG-UHFFFAOYSA-N 461.500 1.935 30 10 JDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCCc2c1cnn2CCO 1153472030 FOWOFTSLRFALSX-MSOLQXFVSA-N 459.572 1.667 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CCC)C(=O)OC(C)(C)C 1286376653 MZBYUMHMZQOGIM-QGZVFWFLSA-N 484.623 1.328 30 10 JDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1286392769 NRGJPQXBYWJHKA-PZJWPPBQSA-N 483.642 1.874 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(S(C)(=O)=O)CC1 1286415692 LDKUCBGXDQDFCN-UHFFFAOYSA-N 480.638 1.293 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)CCCN2C 1286432025 VZEBKUZMDZALRX-HSZRJFAPSA-N 496.637 1.505 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2CC2CCN(C(C)=O)CC2)n1 1286471654 QCORFSIEHNYOFR-OAQYLSRUSA-N 469.590 1.523 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1286494472 UKPXLELEMAJCJB-OALUTQOASA-N 498.550 1.401 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1286787600 XFGUTUNCDLVRHO-QZTJIDSGSA-N 455.563 1.318 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286790029 BHZQZRCZRZHCLF-OAQYLSRUSA-N 497.600 1.083 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(C2CCOCC2)CC1 1286817618 VODZKMXGIJGRNS-UHFFFAOYSA-N 475.615 1.856 30 10 JDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CN2CCCC2=O)n1CCC(C)(F)F 1291194654 BDUBYDKECRDZEG-OAHLLOKOSA-N 459.505 1.823 30 10 JDEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)C1 1299348540 BACYLIVOUHDPBT-XAEMIUIASA-N 455.515 1.658 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(S(C)(=O)=O)CCC1 1300284192 QGLPPBMIXXOSPU-HNNXBMFYSA-N 450.586 1.774 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCCS1(=O)=O 1300284458 SGXMQZZSHAZWSC-APWZRJJASA-N 479.628 1.621 30 10 JDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNS(=O)(=O)CC 1300307118 BPCUBYFLKXFFKM-KRWDZBQOSA-N 460.608 1.239 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2C[C@@H]2C)c1 1300333934 GOIHIULEDXHLTA-HQRMLTQVSA-N 486.598 1.323 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(OCC=C)cc1)[C@@H]1CCS(=O)(=O)C1 1300502365 RZFUKESLUHGRCT-HXUWFJFHSA-N 483.594 1.640 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(Cn2ccnc2)c1 1300557196 QLRLWWABGAYJTA-LJQANCHMSA-N 465.583 1.644 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(c2ccccc2F)C1 1300631230 NWPIMJWDPTYZOX-WIYYLYMNSA-N 490.605 1.736 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)CN2CCCC2)CC1 1300733579 XMHVUKDYLAONKQ-BVSLBCMMSA-N 472.634 1.700 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1300884884 MNQXEYQORLQUJW-AITUJVMLSA-N 451.593 1.218 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC)C1 1300886648 ZWALHQJKLSRQDC-XDNAFOTISA-N 451.593 1.124 30 10 JDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1301040645 IAGAXCARPSIFAH-OAHLLOKOSA-N 467.983 1.448 30 10 JDEE C=C(Cl)Cn1c(N2CCC(NS(=O)(=O)CC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301061692 XFHUIIDMERLYEE-LJQANCHMSA-N 462.016 1.979 30 10 JDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(N)=O)C1 1301251963 KFQHHZOJWYVXDA-HSZRJFAPSA-N 451.531 1.486 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1301425909 ZTEOEWLSDUNXNA-HZPDHXFCSA-N 465.542 1.703 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1301478067 HHZVMEPXGRWLCT-KOSHJBKYSA-N 468.558 1.834 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1301483413 OKSVMTUCHLITBW-FQEVSTJZSA-N 484.557 1.092 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1301492481 IXXZEPCDLZOBPJ-UHFFFAOYSA-N 476.541 1.076 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1301498829 UMLLVLZNVJJZGC-GJZGRUSLSA-N 473.603 1.863 30 10 JDEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC(NS(C)(=O)=O)CC2)cc1 1301524685 DAJULQHJPGYGCP-SFHVURJKSA-N 461.588 1.913 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1301586861 JVANPDIGRGNAQB-AWEZNQCLSA-N 474.555 1.371 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301587063 LUZONGXJZQAMDC-GOSISDBHSA-N 490.561 1.082 30 10 JDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)C[C@H]1OC 1302418083 DXRUXOVEQCVNTN-KDURUIRLSA-N 475.571 1.546 30 10 JDEE N#CC1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(OCC(N)=O)c2)CC1 1303001532 CMADYADHRCMJHY-UHFFFAOYSA-N 479.566 1.922 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCC2CC2)C1 1358929927 KYJSOMGYGGWASJ-RBUKOAKNSA-N 451.593 1.420 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)CC=C)[C@H]1CCS(=O)(=O)C1 1358956780 KOJFJQQZJUPZQQ-CVEARBPZSA-N 457.622 1.117 30 10 JDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1358966932 ZSFOPINXZYSHMB-HZPDHXFCSA-N 465.601 1.179 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)OC 1359016529 FLTVVTUTVKPUOW-PMACEKPBSA-N 479.578 1.815 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(C(C)=O)CC1 1359016648 IVMYJSAYFBODSS-OAQYLSRUSA-N 467.549 1.172 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2)CC1 1359057992 PHNPMGAIFZNTSY-HXUWFJFHSA-N 490.655 1.304 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COC)C1 1359133680 XNGIRHXEERFEAM-QZTJIDSGSA-N 457.597 1.067 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ncn(-c3ccccc3)n2)C1 1359312754 AIKYCKRQIMMEQL-AEFFLSMTSA-N 472.575 1.299 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359329935 ZRUOQTGSJNPOIL-UHFFFAOYSA-N 480.554 1.004 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1359334076 SBEZIGJDAWGZQR-JOCHJYFZSA-N 459.572 1.809 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)NCC)CC1 1359334240 XYCUNJLXRUUJIP-UHFFFAOYSA-N 460.604 1.630 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C(F)(F)F)C1 1359334656 MZUXZYNRBYTLFT-OAHLLOKOSA-N 462.498 1.508 30 10 JDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1359345805 QRHQCWHVMREGCE-LJQANCHMSA-N 475.663 1.453 30 10 JDEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)cn2)C[C@@H](C)O1 1360446835 DOISYVNBADMOKP-SOLBZPMBSA-N 450.499 1.382 30 10 JDEE N#Cc1c(F)cccc1N1CCN(S(=O)(=O)c2ccc(OCC(=O)NC3CC3)cc2)CC1 1474808038 BGXMOPTYMCIHJO-UHFFFAOYSA-N 458.515 1.866 30 10 JDEE COC(=O)Cc1cc(OC)ccc1S(=O)(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1475260387 ACRGQVAPNVWSMS-IBGZPJMESA-N 457.508 1.362 30 10 JDEE CCS(=O)(=O)NCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](C#N)C1 1503280606 ACBLTEJQIZIITM-MRXNPFEDSA-N 457.516 1.268 30 10 JDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1503366738 DWSRPPDIMLGFHZ-RTBURBONSA-N 451.531 1.454 30 10 JDEE Cn1cccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1503668813 ALERAQWQQISDHB-XMMPIXPASA-N 460.542 1.677 30 10 JDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 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C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC2(CC2)C1 1507784200 HJJOJQKBVCBULI-CQSZACIVSA-N 476.397 1.136 30 10 JDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1507835788 MEWPUHVABZPDOI-SFHVURJKSA-N 493.572 1.916 30 10 JDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1507843089 HMJBJFXJVNNGPQ-KDURUIRLSA-N 454.531 1.635 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1508074216 RCFUZINZBLBEBP-OAHLLOKOSA-N 466.995 1.666 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(Nc2cccnn2)CC1 1508096738 JGIAFOMCQPIDAI-JXFKEZNVSA-N 456.551 1.175 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1508131497 NIIMLWDDIPJFHY-UHFFFAOYSA-N 479.578 1.869 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N(C)C 1519163708 CVOHHHAFXYLQNS-KRWDZBQOSA-N 463.583 1.847 30 10 JDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCOCC2)CC1=O 1519205564 CUZQQWABZDNJLQ-UHFFFAOYSA-N 454.531 1.043 30 10 JDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1539068591 XQOLFMIUXLRYJF-INIZCTEOSA-N 466.633 1.911 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1539125444 MEFBIGFBXKRTEL-QGZVFWFLSA-N 494.065 1.865 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2ccc(F)cc12 1539179055 MYCJZVKZKWYQBX-LJQANCHMSA-N 460.535 1.544 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1539211434 LONMRLIZQRYNGE-ROUUACIJSA-N 460.556 1.386 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=O)NCCc2ccccc2)CC1 1539430763 NJICLKKJXRGDCT-AREMUKBSSA-N 480.613 1.433 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](CC)N2CCCC2)CC1 1539434871 WMSKBYOBODMETA-JOCHJYFZSA-N 499.685 1.825 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(CCN(C)C)CC2)CC1 1539438196 RBZWHOQZEXBJRZ-UHFFFAOYSA-N 460.630 1.846 30 10 JDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1539578637 ASRHGDMNEWRXLV-ZIAGYGMSSA-N 477.429 1.490 30 10 JDEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1539750611 BESWLZHIMXVOLZ-IBGZPJMESA-N 475.619 1.668 30 10 JDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1540040038 MIPZVIBIBHHJKZ-UHFFFAOYSA-N 472.594 1.307 30 10 JDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1540859837 MTHKFLUBNRQWHX-KRWDZBQOSA-N 457.604 1.589 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1540875680 UPDNPAKZEHHXMH-JOCHJYFZSA-N 475.571 1.183 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(O)cc2)CC1 1540900791 IKZFRDPCCXHUHM-UHFFFAOYSA-N 456.572 1.917 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCN2CCOCC2)[C@H](C)C1 1540997273 CDVZBBLXFQNNBG-HXUWFJFHSA-N 481.601 1.898 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCOc2ncccc2Cl)cc1 1555990012 CIKAHUHDVYNITN-UHFFFAOYSA-N 453.890 1.792 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N1CCOCC1 1587638822 HLOCTTJSDGRNLE-QZTJIDSGSA-N 476.578 1.293 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(F)(F)Br)[C@@H]1CCS(=O)(=O)C1 1588024396 BGNWSUXVMYCWDR-GFCCVEGCSA-N 480.335 1.129 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1588064405 HRDCXAWENCELFB-KRWDZBQOSA-N 472.596 1.712 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588258842 JUSFHZHEMLKGQF-MLNNCEHLSA-N 489.642 1.669 30 10 JDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCCCC2)C1 1589069803 ODGCLEDXQFODGT-IBGZPJMESA-N 497.687 1.907 30 10 JDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)N1CCOCC1 1611600594 BLFGEGXMPAXSQD-NQIIRXRSSA-N 488.614 1.463 30 10 JDEE C=CCO[C@@H]1C[C@@H]2C(=O)N3CC[C@@H](NS(=O)(=O)c4cccc(C(F)(F)F)c4)C[C@@H]3C(=O)N2C1 1615817950 SCMVLWHTMVAHQB-JOCBIADPSA-N 487.500 1.529 30 10 JDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1(CS(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1617779798 DULQJLQYIIHCFM-QGZVFWFLSA-N 493.611 1.177 30 10 JDEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@H](CN(C)S(C)(=O)=O)C3)ccc2c1=O 1640456836 HIVADCOYHAMNIM-CQSZACIVSA-N 450.586 1.615 30 10 JDEE N#Cc1ccc(F)c(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)c1 1659336737 BUIGGDMQVMGIPX-UHFFFAOYSA-N 459.471 1.812 30 10 JDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2c(OC)ccc3nc(Cl)ccc23)CC1 1661770451 KPVQXCDBQCEFAV-UHFFFAOYSA-N 450.948 1.343 30 10 JDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1689929762 DETFYCYOZKBFPH-UHFFFAOYSA-N 479.633 1.512 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C(=O)NCC)cc1)[C@H]1CCS(=O)(=O)C1 1689990869 STABDSRRNOMVTF-RTWAWAEBSA-N 485.610 1.597 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1689994392 XJZCYCULGIWPQJ-HXUWFJFHSA-N 453.572 1.486 30 10 JDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1689996041 CTJXJTUBLZAUOQ-LJQANCHMSA-N 473.599 1.625 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1690237225 WQZSXLQPLUFZNY-MANSERQUSA-N 482.651 1.612 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1690254728 HTFGBZTWDQYBES-IWQHBPENSA-N 468.620 1.923 30 10 JDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1690326926 HVDMYBBQLBDKAX-GOSISDBHSA-N 454.019 1.400 30 10 JDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1690507561 PICIBBLLIBNNIM-IBGZPJMESA-N 456.522 1.923 30 10 JDEE C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690649643 HJTOVHZTVNLODD-UHFFFAOYSA-N 452.559 1.931 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)[C@H](C)CC)CC1 1695930660 FOYQRPFTCSLIQX-LJQANCHMSA-N 452.607 1.805 30 10 JDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC(C)(C)C2)C1 1696929628 GMJMYMBCZVNWEQ-XMMPIXPASA-N 451.575 1.890 30 10 JDEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1705562473 CVZRSBWPHCYUCW-RBUKOAKNSA-N 490.582 1.395 30 10 JDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705565352 GYXZIHKNQQJBHB-HNNXBMFYSA-N 458.510 1.784 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C1CCCCC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705567587 YZYBVWPDOMZMSO-NHCUHLMSSA-N 473.647 1.816 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1CCn1cc([C@H]2CCOC2)cn1)[C@@H]1CCS(=O)(=O)C1 1705571025 UOYAHCDNKXTMNH-AZUAARDMSA-N 460.604 1.504 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1705571406 ZGSNWKQBBBLBJA-FQEVSTJZSA-N 451.552 1.839 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CCOCCS(C)(=O)=O 1705578819 HPFPTOUBQGEIRZ-UHFFFAOYSA-N 465.373 1.842 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cnc(C)s2)n1 1705632187 XPKAVEUAMLJPMG-SFHVURJKSA-N 454.560 1.525 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](C(N)=O)C1 1705932466 DVNGCRLDJNEGNM-QGZVFWFLSA-N 454.556 1.796 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1705936332 OJAGHJVFPRPAOY-HOIFWPIMSA-N 481.619 1.876 30 10 JDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1705946870 UCVUTSOACDALKX-IRXDYDNUSA-N 453.634 1.691 30 10 JDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)C1 1711317853 FVORHIXCQGFCNA-XMMPIXPASA-N 451.575 1.626 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1722316932 OOVBLLBRAVGLPM-PMACEKPBSA-N 490.674 1.553 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OCCOC)cc1)[C@H]1CCS(=O)(=O)C1 1722360129 DKKCHAIECBFIDP-IBGZPJMESA-N 482.566 1.435 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN(CC)S(C)(=O)=O 1722380124 DWRPJBWVMLTYRD-UHFFFAOYSA-N 467.555 1.338 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCC1 1722396717 JYRROYHEHTWWEF-IBGZPJMESA-N 463.604 1.281 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCN(CCC)C(=O)OC(C)(C)C)CC1 1722428790 ASEDVCCYLWNZGA-UHFFFAOYSA-N 461.611 1.819 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNC(=O)C(C)C)CC1 1722444489 YSYVHNORJKPDBK-UHFFFAOYSA-N 467.530 1.591 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1722446428 WDQVRZFMRNILAV-UHFFFAOYSA-N 488.596 1.589 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(C1)OCc1ccccc12 1722453112 ZFBRKNIEQVFXAN-IIBYNOLFSA-N 461.613 1.891 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1722460844 JQJFDMNMWOKPNB-QZTJIDSGSA-N 492.627 1.030 30 10 JDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CCOCC1 1722516617 BUAIHKDDQZGANE-QGZVFWFLSA-N 473.665 1.926 30 10 JDEE C=CCn1c(N2C[C@@H]3[C@H](C2)[C@H](NC(=O)OC(C)(C)C)CS3(=O)=O)nnc1[C@]1(OCC)CCOC1 1722689608 WLPYZKKFCQXKGF-WBYLCXCBSA-N 497.618 1.243 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1722691949 CNUYXTXMIBUVPI-UHFFFAOYSA-N 474.953 1.308 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722696854 FUHNNDSOBYWCFY-INIZCTEOSA-N 456.528 1.526 30 10 JDEE CO[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)C(C)C 1729886248 GRYMHNQYDNKIQI-MSOLQXFVSA-N 454.597 1.412 30 10 JDEE COCCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)CCCC1 1730659038 BTZJWLBHWXUZEB-MSOLQXFVSA-N 468.624 1.946 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(C)(C)O)cc1 1740550780 JUXKWRMITYFRPB-VQIMIIECSA-N 461.588 1.345 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC[C@@H]1NC(=O)NC1=O 1740561536 BKFSYTFGOCHNLU-PMPSAXMXSA-N 459.551 1.796 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(COC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740616245 WRDXZXUOWMXVAQ-LJQANCHMSA-N 477.631 1.738 30 10 JDEE C#CCN(c1nnc(-c2ccccc2)n1CC1(N(C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740621830 ZMXXGHCIRMJROW-HXUWFJFHSA-N 457.600 1.683 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1740626368 AOGVJYYPFHVELJ-RTBURBONSA-N 472.567 1.838 30 10 JDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCN/C(O)=C1\N=CC=CC1=O 1740654625 MZRPPWHTUOVPPF-WCWDXBQESA-N 468.521 1.506 30 10 JDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1740719885 MQCIWWQLOUIZHJ-MRXNPFEDSA-N 458.592 1.342 30 10 JDEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740788464 TXWDRCGAKFABIT-KRWDZBQOSA-N 489.374 1.447 30 10 JDEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1740859521 LXJJERKLBRJXSB-UHFFFAOYSA-N 477.569 1.680 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1740944443 IYBYMJHDIHJGNW-UHFFFAOYSA-N 455.544 1.660 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1740950331 FYPIBZYJZKVXOR-SFHVURJKSA-N 475.594 1.173 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1740954377 KRGCZFOYNBUKBV-MRXNPFEDSA-N 488.390 1.874 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1740962314 YWSGTPYUQPIZLI-LJQANCHMSA-N 452.563 1.148 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(F)(F)Br)C1 1740981580 PPLVISWPGDXXID-VXGBXAGGSA-N 455.325 1.949 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(F)cc(F)cc2C1 1740987449 TVNVYGHBFIUQDB-CYBMUJFWSA-N 489.570 1.330 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1740990754 FGJNSFRVDPJCGK-INIZCTEOSA-N 479.994 1.205 30 10 JDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1741693107 GGIIVGZTGIOVMU-DEOSSOPVSA-N 483.642 1.985 30 10 JDEE Cc1ccccc1-c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCNS(C)(=O)=O 1742395386 IFLYZLCLHQTPBP-UHFFFAOYSA-N 466.571 1.396 30 10 JDEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1747971518 HIFKDUJTPIMQLU-IBGZPJMESA-N 458.588 1.410 30 10 JDEE CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 1748048941 BSOZMPUNJCMPBD-NBGIEHNGSA-N 497.600 1.613 30 10 JDEE CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1748481104 FOVNANXHRMTUQR-GOTSBHOMSA-N 489.598 1.674 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCSC2)CC1 1748979896 RRXYGHAZDIESHW-SFHVURJKSA-N 474.656 1.704 30 10 JDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)c(OC)c2OC)CC1 1748994711 OBJUVUKCLQVWDF-UHFFFAOYSA-N 468.558 1.230 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCC(F)(F)C(F)F)CC1 1749009846 LZVVDPDDXJLWNW-AWEZNQCLSA-N 474.459 1.112 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(O)cc2)CC1 1749015944 TYZUNOCYGDSASE-UHFFFAOYSA-N 450.543 1.315 30 10 JDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1749447735 MTHVKVZSFKWFLJ-GOSISDBHSA-N 461.588 1.904 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1749655021 ARFIVMXYRNOWAL-UHFFFAOYSA-N 474.587 1.098 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](CCOC)C1 1749670582 VANPZUVKZZOXGS-GOSISDBHSA-N 454.579 1.617 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1749678144 XIGOIGSVKYRBLB-UHFFFAOYSA-N 471.537 1.177 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCCOCC1 1749730715 NWSOCJUUUXBYHE-UHFFFAOYSA-N 486.598 1.893 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1749736142 DYNKUFKNTJLXJQ-UHFFFAOYSA-N 476.603 1.922 30 10 JDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1760190493 WUEFNKBOMUUWNT-AWEZNQCLSA-N 492.508 1.850 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](C)N1CCOCC1 1760206767 LPNHRGBVFBHRKW-DEOSSOPVSA-N 475.641 1.436 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1760211101 AROBHOOXKZFSDP-XMMPIXPASA-N 470.595 1.986 30 10 JDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1760279256 WPABRWOBUHJBML-UHFFFAOYSA-N 455.632 1.785 30 10 JDEE C=C(Br)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760302938 VOYLANBVJAPSBQ-AWEZNQCLSA-N 465.739 1.654 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)COC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760327613 JXBSURQTRXNQIC-IZIIKQMZSA-N 477.606 1.595 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760327773 LRXGNFYWOMJDSP-HVTWWXFQSA-N 483.635 1.453 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1760440677 OIGFLYKRJGLGHB-DLBZAZTESA-N 469.608 1.876 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1760527818 JUBVJMBNIZRBIW-SBUREZEXSA-N 457.531 1.552 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1760549041 VIHNXTOMADKLEF-MJGOQNOKSA-N 461.588 1.984 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCOC[C@H]1C 1761234161 FNQJRVRHGOEPOU-MJGOQNOKSA-N 452.563 1.682 30 10 JDEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1763177745 FTXSFJLMXVIAAM-MHECFPHRSA-N 468.558 1.885 30 10 JDEE C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 1763232483 FSVWJXOATJHFBV-OAQYLSRUSA-N 497.644 1.996 30 10 JDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H](C)COC 1764180581 DIEFKRPEJJLMQP-DLBZAZTESA-N 469.594 1.856 30 10 JDEE C[C@H](NC(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1)C(=O)Nc1cccc(C#N)c1 1866645939 AVSCTGYZPIWBDB-LIRRHRJNSA-N 475.548 1.276 30 10 JDEE NS(=O)(=O)c1ccc(CNC(=O)[C@@H](N=C2NS(=O)(=O)c3ccccc32)c2ccccc2)cc1 1869933266 CAMJFIJWGISOEN-FQEVSTJZSA-N 484.559 1.430 30 10 JDEE COc1cccc(-n2nnc3c(N4CCN(S(=O)(=O)c5ccc(C#N)cc5)CC4)ncnc32)c1 1891415121 RMQBWZJXZAUSMX-UHFFFAOYSA-N 476.522 1.602 30 10 JDEE Cn1nc(C(=O)N[C@@H]2CC[C@@H]2NC(=O)OCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2247818218 VALMFIQDCQJOCG-SJORKVTESA-N 454.336 1.907 30 10 JDEE CCc1nc(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2255652163 QGJNZYWQMJUPGD-LBPRGKRZSA-N 455.386 1.620 30 10 JDEE CC1(C)OB(c2cncnc2C(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)OC1(C)C 2255882560 QXOVVZFLICEPLN-NZSAHSFTSA-N 464.331 1.915 30 10 JDEE CC(C)(C)OC(=O)NOCCNS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2255934162 YDTPWALHIPZKFX-UHFFFAOYSA-N 456.370 1.862 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)[C@@H]2CS(=O)(=O)C[C@@H]21 2267098923 FNWIEQQTOVMWCC-QXSJWSMHSA-N 470.397 1.714 30 10 JDEE Cc1cc(C(=O)N[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2267134674 SQXFGJGVJQBNOA-AWEZNQCLSA-N 450.341 1.987 30 10 JDEE CN(C[C@@H](O)CN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2267369941 DQGMSMMMFPIYNW-CQSZACIVSA-N 490.453 1.896 30 10 JDEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267372310 MLAYNHDKOAHPRE-DZGCQCFKSA-N 488.437 1.865 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC(F)(CNC(=O)OC(C)(C)C)C1 2267492095 NMSOZWRVTWFTGY-UHFFFAOYSA-N 452.336 1.845 30 10 JDEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267718017 MWHPHLIICWTKRG-SJLPKXTDSA-N 460.409 1.518 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268653017 YGYPHXIMFXDIJS-ZIAGYGMSSA-N 467.397 1.819 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268788906 ICOVZPXRKCYOPP-IACUBPJLSA-N 469.369 1.112 30 10 JDEE Cn1nc(C(=O)NC[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)cc1B1OC(C)(C)C(C)(C)O1 2281975502 NRBZVXXIOIPITC-QFIPXVFZSA-N 464.372 1.475 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCCC[C@H]1CNC(=O)OC(C)(C)C 2282342646 KEEQWKGCLMNWDC-HNNXBMFYSA-N 484.428 1.787 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)[C@@H]3COC[C@H]32)n1 2282551363 JDZRRWDOUQTJRH-CWRNSKLLSA-N 462.356 1.083 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2CCOC[C@H]2OCc2ccccc2)n1 2282837449 UVLZXCLFBRSXEU-RBUKOAKNSA-N 477.392 1.372 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2282848616 PSTOWMLNVINBQS-HNNXBMFYSA-N 482.412 1.397 30 10 JDEE C[C@@H](OCc1ccccc1)[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)O 2284412494 VPOTUKPCHPAGBC-RHSMWYFYSA-N 479.364 1.056 30 10 JDEE C=CCOC[C@H](O)Cn1c(NN=C(C)c2ccc([N+](=O)[O-])cc2)nc2c1c(O)nc(=O)n2C 2328610571 PZYLHSGVSWCYBO-OAHLLOKOSA-N 457.447 1.143 30 10 JDEE COc1ccc(CCNC(=O)CSc2nnc(N/N=C/c3cnn(C(C)C)c3)n2N)cc1OC 20920812 HGQBTWNZLBEFEZ-YSURURNPSA-N 487.590 1.684 30 10 JDEE O=C(CSc1nnc(N/N=C/c2cc([N+](=O)[O-])ccc2O)[nH]1)Nc1ccc2c(c1)C(=O)NC2=O 21075455 BDPRDFDNEUOYOM-IFRROFPPSA-N 482.438 1.479 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)cc2C1=O 27495079 OSHNEJMLEIOKEV-UHFFFAOYSA-N 455.492 1.742 30 10 JDEE N#Cc1cccc(C(=O)N2CCN(CCOC(=O)CCN3C(=O)c4ccccc4C3=O)CC2)c1 586386114 IDBQYNFRSITFBJ-UHFFFAOYSA-N 460.490 1.546 30 10 JDEE CC(=O)N[C@H](CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1c(F)cccc1F 608930679 GDJNWBRWROHVIP-LJQANCHMSA-N 476.505 1.937 30 10 JDEE C#CCN(C(=O)CCC(=O)c1ccc(I)cc1)[C@@H]1CCS(=O)(=O)C1 729331461 NJQQWDFRETZSFK-OAHLLOKOSA-N 459.305 1.903 30 10 JDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1OC 729671232 SBSZGZBIOIKALO-UHFFFAOYSA-N 473.558 1.975 30 10 JDEE C#C[C@@H](CC)NC(=O)Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O 1129610229 INGDRXXVYOMNQH-NRFANRHFSA-N 455.518 1.984 30 10 JDEE C#CCN(CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)Cc1ccccc1 1194161729 CPTJDXMLENXPSN-UHFFFAOYSA-N 457.552 1.790 30 10 JDEE C=CCC1(O)CCN(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 1197920323 BAZRXSPNNAPVCD-ROUUACIJSA-N 451.589 1.826 30 10 JDEE C#C[C@@H](NC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 1230488702 BIXKJKROPFDEAM-JOCHJYFZSA-N 456.568 1.821 30 10 JDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cnc(C)s2)CC1 1286315673 FWGQHTXRDQUXGQ-INIZCTEOSA-N 465.649 1.779 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1286384022 GIZBBAQOXNSBOW-SJORKVTESA-N 487.561 1.844 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1286384065 PFFNGRHRNUPNRF-RDPSFJRHSA-N 488.610 1.922 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(=O)Nc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1286393188 PFIVRDLZUFHUAM-LJQANCHMSA-N 498.609 1.283 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1286452176 DNOASGDWGFTACS-HRAATJIYSA-N 467.592 1.359 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCC(=O)N(C)C)CC1 1286489487 VAYAEOATPJYLND-UHFFFAOYSA-N 482.585 1.797 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(=O)N(CC)CC 1286522574 LQCYDVWGNBBKID-PGRDOPGGSA-N 480.635 1.252 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC1 1286740830 XMFQBPTYHXEENN-TZIWHRDSSA-N 491.614 1.849 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(OC)c(OC)cc1C 1286774707 DNOPVQAELBBWKT-IBGZPJMESA-N 465.576 1.759 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286780039 PGURWIRGXZIPBE-XMMPIXPASA-N 497.556 1.079 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1286781995 GZGGISXOIGDMNI-INIZCTEOSA-N 461.544 1.040 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1286782283 PVESEHOLRYSAAF-LPHOPBHVSA-N 476.603 1.359 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1286814155 LTJBQEIZCYIVDS-SFHVURJKSA-N 476.607 1.165 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1286820941 WEHBKYACWUPFIX-IRXDYDNUSA-N 469.608 1.828 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@](C)(OC)CC1 1286825167 MSNREXMYGMNZJY-WFXMLNOXSA-N 456.609 1.998 30 10 JDEE C[C@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)C[C@@H](C)O1 1291292335 CDRGERWFTBJIDU-KDURUIRLSA-N 472.615 1.797 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCN2CCOC[C@@H]2C)c1 1300334009 HGMCFWKQXOICBN-AZUAARDMSA-N 452.559 1.559 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1COc2ccccc21)[C@H]1CCS(=O)(=O)C1 1300479814 SJVREMVAAOCEMO-SJORKVTESA-N 457.556 1.219 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CC1(OCCOC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1300485386 VQYNEPPCELPJEM-SFHVURJKSA-N 454.593 1.240 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1300502175 RFQMSIQSNADNFB-FKBYEOEOSA-N 472.611 1.742 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(c2ccccc2F)C1 1300631228 NWPIMJWDPTYZOX-NQIIRXRSSA-N 490.605 1.736 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1300685485 PBBJGTQUWBHIBU-RUZDIDTESA-N 453.587 1.961 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)c2cccs2)CC1 1300719500 DEPATDDRFBDJPR-UHFFFAOYSA-N 464.555 1.192 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1301150873 CRPZMLFXFSICNL-KSZLIROESA-N 471.624 1.453 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCS[C@@H](CC)C1 1301586316 RHGJYCCZCXUJEI-AWEZNQCLSA-N 453.590 1.938 30 10 JDEE CC(C)C(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1302420047 CIXQQVRWPFTOQU-OAQYLSRUSA-N 499.641 1.982 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@H]2CCCCO2)cc1 1302993317 CKZUZVGEOISYMH-HXUWFJFHSA-N 454.531 1.769 30 10 JDEE CC[C@H](C)NC(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)c1 1305625355 CJFHVMHUTPCPKB-FXAWDEMLSA-N 465.558 1.706 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](Cc1ccccc1)OC 1358994964 ZXUWBXUISXZKQP-YADHBBJMSA-N 485.610 1.332 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1359040109 INQOVMGIJXJYHA-JOCHJYFZSA-N 483.661 1.990 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C)C(=O)C1 1359093084 JWELRZDZSWPWDO-NQIIRXRSSA-N 488.614 1.455 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C(=O)NC)C1 1359132813 GDECXAAGMJLOQC-MOPGFXCFSA-N 492.621 1.937 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSCCS1 1359282172 SPLKGBRZHOLOHE-CVEARBPZSA-N 477.678 1.098 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O 1359293178 JNXJSEIPUIAIGH-MRXNPFEDSA-N 456.572 1.973 30 10 JDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnccn2)CC1 1359308887 BLOOHSIGZBXGNJ-GOSISDBHSA-N 498.613 1.618 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C)CC1 1359331914 KMILSCDKFHIYCX-GOSISDBHSA-N 461.592 1.198 30 10 JDEE COc1ccc(CN2CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2=O)cc1 1444048249 AKKXRFNRPVLEAO-YWZLYKJASA-N 456.524 1.151 30 10 JDEE C#CCNC(=O)C1CCN(C(=O)Nc2cnc(N3CCOCC3)c(Br)c2)CC1 1476486270 GBWYXSKFORKEOR-UHFFFAOYSA-N 450.337 1.674 30 10 JDEE Cc1nn(C)c(C)c1CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1492723241 HEGWJDLYZOSTAX-UHFFFAOYSA-N 482.614 1.534 30 10 JDEE CNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1503806098 GRCMXUFLNLOEMD-UHFFFAOYSA-N 450.547 1.239 30 10 JDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1507630727 GNHKOWUEMQLIPG-QGZVFWFLSA-N 455.540 1.998 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 1507631857 GSQAQFVIOMPRAK-HIFRSBDPSA-N 468.004 1.814 30 10 JDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1507635352 SBHAMPUKRXXSCS-GOSISDBHSA-N 462.645 1.745 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc2ccccc12 1507711678 XXQOVCFORMLAQW-FQEVSTJZSA-N 473.555 1.492 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1507739071 LVXIXXXDVATVAP-IGTQYIEMSA-N 481.557 1.012 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1507954900 RNVFOXYAJJEBKZ-SJORKVTESA-N 465.580 1.653 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1508059033 KGLZSKBKNVXFNZ-SJORKVTESA-N 468.624 1.176 30 10 JDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(C(=O)NCC)CC2)cc1 1508097734 SRWAEEOKIIVLKK-UHFFFAOYSA-N 467.574 1.979 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1508139954 FLPMCLFKJZOLPP-ZWKOTPCHSA-N 491.618 1.171 30 10 JDEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CCN(C)C(=O)[C@H]1C 1508149200 QDXPNYVFPBFLIH-MRXNPFEDSA-N 479.628 1.847 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCCC2)CC1 1539071933 HITWKXIPQFNKIX-NRFANRHFSA-N 478.663 1.869 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1539206520 QNQUKFPJRKKXCU-ZSYWTGECSA-N 492.573 1.724 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539215881 KWWRESSSQXBCHZ-NOVUIFNWSA-N 463.629 1.822 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ncccc2N(C)C)CC1 1539434561 NBOGYBIZAOSVIY-UHFFFAOYSA-N 479.610 1.613 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2OCCOC)CC1 1539467217 OZIWGWRJGNPHQC-UHFFFAOYSA-N 494.596 1.553 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)Oc2cccc(F)c2)CC1 1539477751 XNMGTNPCNWSMGD-OXJNMPFZSA-N 468.533 1.802 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC(=O)NCC=C)CC1 1539477758 XVAMHJCTZVUTFF-UHFFFAOYSA-N 473.537 1.868 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)C2CCCCC2)CC1 1539481767 OGJRMLVDWUKJTR-FQEVSTJZSA-N 490.674 1.411 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC(C)CC1 1539517258 KTDDWYGJHNSQBV-DAWZGUTISA-N 455.650 1.992 30 10 JDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1539578634 ASRHGDMNEWRXLV-KBPBESRZSA-N 477.429 1.490 30 10 JDEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](C(N)=O)C1 1539751438 NIXXABNXSLFMDC-IBGZPJMESA-N 454.579 1.747 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCn2nc(C)cc2C)CC1 1539889913 DPWKSPPEQBQCSK-HXUWFJFHSA-N 477.635 1.917 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCS(=O)(=O)c1ccccc1 1540071922 IQNNYHGVSQHWQM-GOSISDBHSA-N 483.616 1.097 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCOCC1 1540180846 WNKBGBRLUFTKNY-HXUWFJFHSA-N 460.600 1.957 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1540862141 SEXNCNJBNIWAIY-LJQANCHMSA-N 463.546 1.882 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1540873004 JNAICBLLHSPGJC-UHFFFAOYSA-N 465.583 1.898 30 10 JDEE C=CCNC(=O)Cn1c(N(C)Cc2cnn(C)c2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540876257 LPYOWGVQHMNZME-CALCHBBNSA-N 458.567 1.721 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540876441 RFTWALYJQDTVHK-PXAQALGRSA-N 489.577 1.382 30 10 JDEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1 1540882028 ZXXJSXRYMYVFNK-UHFFFAOYSA-N 468.583 1.959 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1540899921 FGCIUZYLFIUMME-HNNXBMFYSA-N 489.019 1.831 30 10 JDEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)[C@@H](C)C2)CC1 1541006700 CCYOKFJRGBDFGY-OALUTQOASA-N 451.575 1.985 30 10 JDEE C[C@@H]1CCCN([C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)C1 1544066055 BDAHLXCNZVHLHD-QWFCFKBJSA-N 479.651 1.471 30 10 JDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)cc1 1556088785 KLYKPWAWIVHENX-UHFFFAOYSA-N 458.515 1.134 30 10 JDEE CC(=O)N[C@@](C)(C(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(S(C)(=O)=O)cc1 1568127197 DUIVLJFZZBLVNH-JOCHJYFZSA-N 454.552 1.920 30 10 JDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1584400383 DOENDCDJWXUVSZ-UHFFFAOYSA-N 452.496 1.721 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N1CCN(CC)CC1 1587621730 XYRMGDPNNRGOQD-RTBURBONSA-N 462.602 1.676 30 10 JDEE C#CCCCn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1587894449 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C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1690328223 HJWQUYDBUCTIPW-HUUCEWRRSA-N 460.004 1.223 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)c2ccco2)CC1 1690375847 VTAHTMJLGLSZBF-OXJNMPFZSA-N 451.549 1.268 30 10 JDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1690497953 YZLZUFHHHYFLMH-PZJWPPBQSA-N 475.638 1.388 30 10 JDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccco2)CC1 1690508855 QZZCKXVYHNTBTD-KRWDZBQOSA-N 463.560 1.328 30 10 JDEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@H]1C 1690624642 ZARALGHYVOYVPI-UXHICEINSA-N 494.637 1.946 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](COC)C1 1690671395 VGZWNKYXEFMIQM-SFHVURJKSA-N 454.579 1.617 30 10 JDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1690672878 GQHZODVJARDACN-JOCHJYFZSA-N 469.609 1.915 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCCO1 1692805240 CGBKWIQZHMDGCY-RXVVDRJESA-N 487.630 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455.584 1.644 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCS(=O)(=O)C1 1705620254 OZAMJZFEEUFVFM-RTBURBONSA-N 494.614 1.784 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(N(C)C)CCSC2)CC1 1705634888 LISNHLAQALMIIC-XZOQPEGZSA-N 462.664 1.511 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC(=O)N(C)C)CC1 1705645411 SWNBSDQNUDZYGH-UHFFFAOYSA-N 459.554 1.856 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCC(=O)N2)CC1 1705645732 CITHEMUWMDAKRE-QGZVFWFLSA-N 466.542 1.207 30 10 JDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1705758569 ZNXRSUWIBVUXDB-KRWDZBQOSA-N 457.000 1.922 30 10 JDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(S(N)(=O)=O)cc1)C1CC1 1705855253 ZEONYRXWNLVRHE-INIZCTEOSA-N 465.601 1.225 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2C)C1 1705904034 CJATZCFCXGWPDQ-ICSRJNTNSA-N 488.614 1.216 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)[C@H](C)C1 1705997931 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C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1722370851 RBIVXADTDIYPLV-DZFGPLHGSA-N 490.582 1.032 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)n1 1722427057 DTKBXJKTWTYKRI-DFBJGRDBSA-N 475.553 1.839 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCNC(=O)C(C)C)CC1 1722428845 CADDYQIUMCBMCS-UHFFFAOYSA-N 451.575 1.675 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cn2cccn2)c1 1722429459 RJIRJMGDGVEFFH-OAQYLSRUSA-N 468.583 1.559 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1722446348 SSKYYHQMPVHWAT-UMSFTDKQSA-N 477.594 1.628 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCN2CCN(CC)CC2)CC1 1722448759 HCQDMAXQFJHMKM-UHFFFAOYSA-N 478.645 1.257 30 10 JDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NCCOC)CC1 1722507429 PBMXKKSLMCWHIW-SIKLNZKXSA-N 471.606 1.149 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1722698636 JDMWUEAYJMLCKS-JTSKRJEESA-N 494.017 1.320 30 10 JDEE C=CCn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1722702694 BUYVYGKZWFUMLR-UHFFFAOYSA-N 489.374 1.401 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@]2(O)CCN(C)C2)C1 1722713540 FDFYFYVFVGHCJH-KOSHJBKYSA-N 473.574 1.819 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1722726540 FXWRAAUPTGMXNP-MRXNPFEDSA-N 459.638 1.254 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1722730118 JFYHBYCWOPAHTO-IFMALSPDSA-N 489.642 1.923 30 10 JDEE CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)C)C1 1722831515 AVVKPQBQPGZFGH-HXUWFJFHSA-N 467.574 1.853 30 10 JDEE COCCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)CCCC1 1730659040 BTZJWLBHWXUZEB-ROUUACIJSA-N 468.624 1.946 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1740580843 JQASGAIPRQFSQJ-UHFFFAOYSA-N 466.590 1.719 30 10 JDEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(OCC(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1740623578 WXTZRWDFOVZRGG-SFHVURJKSA-N 457.556 1.085 30 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498.653 1.642 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1508091354 KRIHAIBMFHIVAM-UHFFFAOYSA-N 477.548 1.779 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)C2CCCCC2)C1 1508127672 WCLOWAZOAPBYFW-SFTDATJTSA-N 496.678 1.657 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1508142519 TXQJNGBMFXAMJH-IAGOWNOFSA-N 455.581 1.488 30 10 JDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)CC1 1508258028 DIJFANGWTUDPEA-UHFFFAOYSA-N 453.547 1.702 30 10 JDEE COCC[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1518963658 FCYMVWQOQATGRN-HYBUGGRVSA-N 468.558 1.936 30 10 JDEE C=CCc1ccc(OCC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c(OC)c1 1523309366 VAJWAUXYVLOQMD-UHFFFAOYSA-N 453.543 1.778 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1539179716 RCSDSRGVNWXMTD-SQNIBIBYSA-N 496.634 1.326 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)COCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539201271 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C#CCCCn1c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1689941610 RTOYIIMWZOCHKM-DEOSSOPVSA-N 487.626 1.996 30 10 JDEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1nnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1689982827 VNZAVBHHYXRQOS-GOSISDBHSA-N 468.587 1.441 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1689984606 RFDBRFVKNZROGP-KRWDZBQOSA-N 470.555 1.371 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689988701 URSWEIZHNNENEC-GOSISDBHSA-N 491.618 1.610 30 10 JDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1690364639 UZINPUVRZRFQHT-GJZGRUSLSA-N 466.530 1.308 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1690675262 UTSPSVFGPPDEPT-MRXNPFEDSA-N 467.555 1.625 30 10 JDEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1690749337 ZQBZCYJJETZDTF-KRWDZBQOSA-N 453.576 1.715 30 10 JDEE CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1695719794 GTWBCXFJPJLWPE-IBGZPJMESA-N 459.572 1.762 30 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1.720 30 10 JDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1706238026 DQXFPTQISKSDBN-UHFFFAOYSA-N 492.628 1.723 30 10 JDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N1CCOCC1 1710856754 DEPNHRIZZFQNIV-QZTJIDSGSA-N 460.604 1.797 30 10 JDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722329996 OWPQWYRGYGGFBL-SFHVURJKSA-N 452.515 1.848 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1722333550 XCYVKSFNTPQQJT-JOCHJYFZSA-N 486.642 1.968 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1722364839 MOYNXSNRGUCCFW-HKUYNNGSSA-N 491.589 1.956 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)Cc2ccc(F)cc2)CC1 1722447901 PBKSEDQKRFAXFX-NRFANRHFSA-N 481.576 1.466 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2ccco2)CC1 1722448448 UTEHBOJIYMJEIC-GOSISDBHSA-N 454.531 1.161 30 10 JDEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccs2)CCO1 1722848331 HBOPVZMGVOPLAY-SFHVURJKSA-N 453.528 1.575 30 10 JDEE C[C@H](C#N)CN(C)c1nnc(COc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722868635 CRMCBXCGSCTJPO-CVEARBPZSA-N 450.540 1.874 30 10 JDEE Cc1nn(Cc2ccccc2)c(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1725884710 HEYKDHZDFDXPGY-YLJYHZDGSA-N 498.613 1.527 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccc(C)cc1 1740554318 XOCYGLBBGFETGW-AZUAARDMSA-N 461.588 1.846 30 10 JDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740583098 UXEFSHAWGUTKKV-LJQANCHMSA-N 479.628 1.622 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccco1)N1CCCC1 1740609840 PBHVVIYUEDNROQ-PKOBYXMFSA-N 462.576 1.111 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1740702080 VPNJXRKKTOXOIK-UHFFFAOYSA-N 480.594 1.607 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCCN2CCC[C@H]2CO)CC1 1740704559 SLVJXZZHGFZLMF-NRFANRHFSA-N 465.602 1.543 30 10 JDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)CC1 1740782835 SRBJXXMTHWLXOO-SFHVURJKSA-N 450.584 1.931 30 10 JDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1740795225 QHFQTCPKHMPCNZ-HXUWFJFHSA-N 473.599 1.735 30 10 JDEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(C(N)=O)C1)c1ccccc1 1740854750 SDNJJGDWXUOJSS-AQOAWAETSA-N 460.604 1.950 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H]2C[C@H](F)C2)C1 1740980458 KNIOJUZGTSZMDK-BRSBDYLESA-N 457.572 1.531 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1741017517 NTZKYKCTZOJGMC-DRGFOCDESA-N 488.552 1.648 30 10 JDEE CN(Cc1ncc(Cl)n1C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1747794408 HZIMJYWRYIGGKJ-HXUWFJFHSA-N 475.962 1.390 30 10 JDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1748750756 OJXSOSHJEUPCMT-RBUKOAKNSA-N 453.609 1.810 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1748801633 DBKWZQPZMGPRGR-GAJHUEQPSA-N 486.598 1.493 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1748801864 IDOFDNFEBVOTJR-FDDCHVKYSA-N 488.614 1.739 30 10 JDEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1748811438 GVUREJSXIILFFW-INIZCTEOSA-N 475.596 1.488 30 10 JDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1748819449 OVVSEOVYDADIMN-HXUWFJFHSA-N 456.547 1.840 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C)nc(N2CCCC2)c1 1748962397 GXCFZABETPHVSY-FQEVSTJZSA-N 472.615 1.618 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1749724099 HEDCCTPNLCCNKN-HTAPYJJXSA-N 462.572 1.939 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC(=O)N(C)C[C@H]1C 1749726928 JOZSKTZPUJWBQB-CQSZACIVSA-N 467.979 1.875 30 10 JDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1760184341 VWPQCKVREOJUPS-LJQANCHMSA-N 469.527 1.570 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1760184437 XGBMIVINAMWFGE-OAHLLOKOSA-N 464.617 1.305 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(NC(C)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1760184582 KNJNJJPALQMBLH-GOSISDBHSA-N 465.539 1.369 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1760190599 SKBDKWZYNVCFRI-FQEVSTJZSA-N 464.551 1.038 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCN2CCC[C@@H]2C)CC1 1760261238 JBYTYFIVMOHQSH-SFTDATJTSA-N 487.649 1.826 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(S(=O)(=O)NC)c1 1760287876 JBEOHBYMGSWUHL-HSZRJFAPSA-N 479.566 1.874 30 10 JDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1760349872 FWHJVDQKYCYUEG-UHFFFAOYSA-N 476.632 1.763 30 10 JDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1760456846 YPGXEXMICUTHEH-IRXDYDNUSA-N 452.581 1.485 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1760523899 KNZRSHPRJHSFOX-INIZCTEOSA-N 458.588 1.935 30 10 JDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)NC)CC1 1760531807 APPBZGSSAUENLZ-UHFFFAOYSA-N 453.547 1.589 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760548496 HYJYDXPFZOVVOQ-HBFSDRIKSA-N 466.652 1.381 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1760556822 RAKYRJKJUZFRGH-GCJKJVERSA-N 461.588 1.639 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1760557645 SJHFKPCYZDQGKQ-WOJBJXKFSA-N 473.599 1.748 30 10 JDEE CC(=O)N(C)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1760577463 KZPPRWOANIRXFZ-WCWDXBQESA-N 495.559 1.982 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC(=O)N(C)C 1761475613 FSFLUKACLVBFPY-OAHLLOKOSA-N 457.560 1.142 30 10 JDEE CCCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)C(C)(C)C)c2ccccc2c1=O 1766172000 GJBVLBKMRDOZSE-QGZVFWFLSA-N 492.584 1.956 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1768264235 AGYLIGIQQUMRJO-WOJBJXKFSA-N 485.614 1.736 30 10 JDEE COc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1769013682 AADVGXFOMHDLMK-UHFFFAOYSA-N 460.542 1.479 30 10 JDEE COc1c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)oc2ccccc12 1769786215 AOWNCASYJNBXDH-KBPBESRZSA-N 460.516 1.420 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(c2ccncc2)CC1 1769844985 FSWWGEROJYBSRI-HXUWFJFHSA-N 452.563 1.907 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc(C)cn1 1771099850 COVJDOXKCRTABF-NRFANRHFSA-N 483.598 1.910 30 10 JDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCN2CCOCC2)=C(N)Oc2c1c(C)nn2C 1864316510 LLHQSDUNNFIUTQ-FQEVSTJZSA-N 453.543 1.436 30 10 JDEE CC1(C)OB(c2nc(=NS(=O)(=O)CCCCN3C(=O)c4ccccc4C3=O)s[nH]2)OC1(C)C 2001613729 OAUDCIBRCCBUSH-UHFFFAOYSA-N 492.388 1.077 30 10 JDEE Cc1cc(C(N)=NO)nc(-n2cnc(I)c2I)c1 2027506512 QCKCWFNYRIUGTD-UHFFFAOYSA-N 469.024 1.879 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H](O)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247963466 XPALAWRLCGTUNH-GFCCVEGCSA-N 462.399 1.211 30 10 JDEE CCc1nc(C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2255650683 DNEWSQQHGPUHHY-LBPRGKRZSA-N 455.386 1.620 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@@H]1CNC(=O)OC(C)(C)C 2255771069 XQSULQIDMSWVJY-CYBMUJFWSA-N 456.374 1.007 30 10 JDEE C[C@H](CNC(=O)OC(C)(C)C)N(C)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255931656 OGKBFURVNOEKPT-CQSZACIVSA-N 455.386 1.915 30 10 JDEE COC1(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CN(C(=O)OC(C)(C)C)C1 2256606777 WECNIFDVSJTAAI-UHFFFAOYSA-N 453.370 1.694 30 10 JDEE COc1ccc(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267011939 MVNITXGSUNSZAZ-OAHLLOKOSA-N 450.341 1.610 30 10 JDEE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267141101 VRZHPCBEUXGATI-PVDMYPHGSA-N 468.385 1.862 30 10 JDEE CC(C)(C)OC(=O)N1[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)COC1(C)C 2267141893 MZELMSSXNJYFBU-ZDUSSCGKSA-N 450.345 1.811 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267470453 KXUBOTOXELRTED-RBZFPXEDSA-N 485.437 1.871 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC[C@](C)(NC(=O)OC(C)(C)C)C2)n1 2267706059 QLTZDZAMKFPLAF-FQEVSTJZSA-N 470.401 1.397 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCc1ccn(Cc2ccccc2)n1 2267716413 MVTRPKSIXZLPTC-UHFFFAOYSA-N 457.365 1.443 30 10 JDEE CO[C@@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2267719388 FQEUXGUBYUIKRF-HUUCEWRRSA-N 488.437 1.960 30 10 JDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268650131 HHYNKRLIKJKPNW-CQSZACIVSA-N 466.413 1.610 30 10 JDEE Cn1[nH]c(CCNC(=O)OC(C)(C)C)nc1=NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2281798480 IRHNNPIPJHXIIP-UHFFFAOYSA-N 477.396 1.917 30 10 JDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1COCCN1Cc1ccccc1 2281963575 MZHBNYAIVDNKIK-LJQANCHMSA-N 454.380 1.833 30 10 JDEE CC(C)(C)OC(=O)NC1(C(N)=O)CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CC1 2282034859 NPVPSRYBJYJHEI-UHFFFAOYSA-N 463.340 1.564 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@](C)(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2282090783 RBZOREFBGBQQDK-ADAWPZLVSA-N 483.400 1.362 30 10 JDEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282177612 IGQBSSWJPPSBAI-QFIPXVFZSA-N 462.356 1.268 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCCN(C(=O)OC(C)(C)C)CCC1 2282310195 QKUCARKZTARZNV-UHFFFAOYSA-N 485.416 1.136 30 10 JDEE C[C@@H]1C[C@@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN(C(=O)OC(C)(C)C)C1 2282343399 PRGFBVVLXMWHQQ-HUUCEWRRSA-N 484.428 1.643 30 10 JDEE CN(CC(C)(C)CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2282415138 CONLFQSPOFOGSW-UHFFFAOYSA-N 486.444 1.891 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2C[C@@H](F)CN(C(=O)OC(C)(C)C)C2)n1 2282503029 SWQYXUALTVWFBL-ZIAGYGMSSA-N 488.391 1.345 30 10 JDEE CCc1nn(C)c(C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282558808 FEQQTLCRKSZJLB-AWEZNQCLSA-N 466.388 1.239 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2COCCN2C(=O)OC(C)(C)C)n1 2282590063 WUJHFIHAHLRCKG-HNNXBMFYSA-N 464.372 1.568 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2282827219 XSLFDHNLRZKWAE-HOTGVXAUSA-N 462.352 1.792 30 10 JDEE Cc1cc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2282831030 DIDCYJZQRUKLNL-QZTJIDSGSA-N 482.408 1.553 30 10 JDEE CCC1(CNS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2282838236 LJSBBLFGWXKKDP-UHFFFAOYSA-N 484.428 1.645 30 10 JDEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282864771 KOSIJNIRNBIBES-MJGOQNOKSA-N 474.436 1.766 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)[C@H](O)C1 2282883617 CSKJSTKOIGGAJB-SJLPKXTDSA-N 462.352 1.792 30 10 JDEE COc1cc(CNC(=O)[C@@H](O)[C@H](C)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2289459767 MJQMQWCIGFQLHF-KSSFIOAISA-N 464.368 1.885 30 10 JDEE COc1ccc(CNC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2296182906 TUCCLSNGECESGC-KRWDZBQOSA-N 464.368 1.886 30 10 JDEE COc1cccc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@H](O)COc2ccc(C)cc2)c1 2327754083 KOSSMTQJDVDRKY-SFHVURJKSA-N 492.536 1.637 30 10 JDEE CC(C)(C)OC(=O)N1CCC(NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)CC1 2362504669 FRHCUEAOLONVNA-UHFFFAOYSA-N 480.396 1.427 30 10 JDEE C=CCOc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)OCCOC)cc1Br 14669317 QWWOLJCSTLEMFT-OAHLLOKOSA-N 455.305 1.534 30 10 JDEE O=C(NCC#CCO)c1cc(I)cc(I)c1O 717477078 UMSJRIIEDKCUSX-UHFFFAOYSA-N 457.005 1.327 30 10 JDEE C=C(CO[C@@H]1[C@@H](O)[C@H](CO)O[C@H](OCc2ccccc2)[C@@H]1NC(C)=O)C(=O)OCc1ccccc1 1084293261 ZYOBKAWAUGVIPQ-SIBOWDGYSA-N 485.533 1.471 30 10 JDEE COC(=O)c1ccc(C=NNc2nnc(SCCC(=O)NCc3ccc4c(c3)OCO4)n2N)cc1 1084394990 VTTLZFVVBVWRGY-UHFFFAOYSA-N 497.537 1.752 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c1 1211230660 QYWQUZYDJBNWOY-LJQANCHMSA-N 455.602 1.618 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1286386214 WMNDQUHMFOVQAK-SJLPKXTDSA-N 497.618 1.287 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccco1)N1CCCC1 1286410612 VHCKPXASNLDTMA-FPOVZHCZSA-N 486.598 1.114 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCOc1ccc(S(C)(=O)=O)cc1 1286430423 NFFFVGHRZNZWDT-LJQANCHMSA-N 455.540 1.175 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCNS(=O)(=O)CC)CC1 1286475850 IGRKVLNSFMMTQI-UHFFFAOYSA-N 453.572 1.188 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1286501600 YVARZMFTIVQZFZ-UHFFFAOYSA-N 465.601 1.410 30 10 JDEE C=C(Cl)Cn1c(N2CCC[C@@H](CNS(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286635099 JWRZWHYYWOIJME-LPHOPBHVSA-N 462.016 1.837 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1286699241 ASQANFBDKAFSAL-IRXDYDNUSA-N 461.592 1.544 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCC2)C1 1286710764 CFYAZUGFBYHWSH-GOSISDBHSA-N 469.608 1.353 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(CO)CC1 1286787292 QVGAHHQMYQRCIT-UHFFFAOYSA-N 451.531 1.186 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)C1CCC(NC(C)=O)CC1 1286822826 HXGCJSDGXVBSNF-UHFFFAOYSA-N 477.635 1.624 30 10 JDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1288506552 HSAZYKCKVBQMCZ-YJYMSZOUSA-N 455.487 1.834 30 10 JDEE C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1)N(C)C1CC1 1288651198 FWKRSTZKBSVCRW-BLIXFSHQSA-N 465.624 1.224 30 10 JDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCN(C(=O)OC)CC2)CC1 1299287717 BWMWIVPFCLSBGY-UHFFFAOYSA-N 496.572 1.669 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CC1 1300310876 PPPKFXPJVBXTCC-JKSUJKDBSA-N 467.592 1.622 30 10 JDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1300411199 RKKGKFVQTKEVFP-YLJYHZDGSA-N 459.572 1.970 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1300488647 UBUALABFAYJNSK-FQEVSTJZSA-N 467.555 1.312 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1300491767 IOWVSJSLMJZJQK-FQEVSTJZSA-N 484.582 1.531 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1300494288 ZVJRBHBRDWZFGW-FHWLQOOXSA-N 462.620 1.120 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2)c(F)c1 1300537386 GGWDYGPMIUWLLE-GOSISDBHSA-N 452.515 1.626 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)Nc3ccccn3)n2CC(F)(F)F)n1 1300677152 YRNOGMMLEAAXFC-UHFFFAOYSA-N 462.436 1.970 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCOC[C@H]2C)CC1 1300688461 FXLQNGSTUJEPIW-TZIWHRDSSA-N 486.642 1.623 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1300844730 RWGVOGBDWCXKHT-WBVHZDCISA-N 494.438 1.707 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(CC)CCS(C)(=O)=O 1300880754 KOUUWNUUWIJPPS-DNVCBOLYSA-N 465.576 1.858 30 10 JDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC(C)(C)C1 1300990365 JURAOLXRKAPFDI-KRWDZBQOSA-N 471.624 1.598 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2CCOC[C@@H]2C1 1301576840 HNFYWLUKWFCIBM-INIZCTEOSA-N 469.970 1.859 30 10 JDEE C#CC[C@]1(C(=O)N2CCN(S(=O)(=O)CCCOC)CC2)CCCN1C(=O)OC(C)(C)C 1355939196 SFTLACIEYFLXDZ-OAQYLSRUSA-N 457.593 1.290 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOCc1ccc(OC)cc1 1358890577 RMDVMCVYBOYBKD-YLJYHZDGSA-N 477.587 1.294 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1358961882 GRJZGHZJPMCNNY-QRVBRYPASA-N 462.620 1.120 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1358963301 GBIKFDCWXPXFQN-OAHLLOKOSA-N 450.511 1.689 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCNC(=O)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1358965267 RDKNWWRMJFYKEK-LJQANCHMSA-N 496.568 1.460 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCNC(=O)C1CCC1)[C@H]1CCS(=O)(=O)C1 1358965504 WKVFOAMMGWMCNE-FQEVSTJZSA-N 470.599 1.197 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1CC1CCS(=O)(=O)CC1)[C@@H]1CCS(=O)(=O)C1 1358965602 XRBRIMGJUCBHGI-GOSISDBHSA-N 482.653 1.382 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1358966154 IXUGSUSOVHDJQD-NRFANRHFSA-N 473.668 1.739 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1359031238 VENLNTOXMFCVIR-HXUWFJFHSA-N 494.415 1.012 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2CCN(C(C)=O)CC2)CC1 1359039091 WSMFBJWOSXMSMI-UHFFFAOYSA-N 466.586 1.879 30 10 JDEE C#CCSCCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@]1(OCC)CCOC1 1359061806 MSJGZROEGUZRDU-CVDCTZTESA-N 476.647 1.039 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(c2cnn(C)c2)CC1 1359304969 PHQNQGCEKKTNRI-UHFFFAOYSA-N 466.546 1.228 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@H](COC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359306050 UPBJGZKAXGQNHW-BBWFWOEESA-N 464.567 1.203 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1359331032 LAOLCEIXMHTGKP-UHFFFAOYSA-N 498.613 1.040 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1359331490 AXKMHGAMRPYPPC-QGZVFWFLSA-N 492.627 1.244 30 10 JDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCN(c2ccncc2)CC1 1359473481 CUHORCWNZBFGBQ-WOJBJXKFSA-N 486.646 1.383 30 10 JDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)CCNS(=O)(=O)c2ccc(C)cc2)c1 1463197580 ZRPHBYSIRZYPMW-UHFFFAOYSA-N 451.570 1.510 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)CC1 1477320523 VOBGPVDCTQJLEG-SFHVURJKSA-N 457.556 1.516 30 10 JDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1507563338 FPXAWXVZVBIEMO-HUUCEWRRSA-N 461.510 1.489 30 10 JDEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507565439 FCDVRDOFVGMEHV-SFHVURJKSA-N 455.588 1.790 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 1507623154 SIXLQOKOXLHPQW-OAHLLOKOSA-N 479.965 1.982 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CC(c3ccccc3)C2)CC1 1507721654 KSDSAJFOKJMWHX-JSOIOWGOSA-N 456.616 1.837 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1507739509 CAOWXRZVSDBLKH-AVRWGWEMSA-N 483.569 1.371 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCC(=O)N2)CC1 1507739795 FNCBSQWQMLIPRO-HXUWFJFHSA-N 464.570 1.718 30 10 JDEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507845695 NNBOSNXBAOEDQY-RXVVDRJESA-N 457.531 1.725 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1508071427 BVJDOMSBEQMZRJ-UHFFFAOYSA-N 457.560 1.089 30 10 JDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCCO[C@H](C)C1 1512525999 BQCUBZAFNBWGRW-VQTJNVASSA-N 481.601 1.897 30 10 JDEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](COC)C2)CC1=O 1519189999 ALAXDOUBUQLREJ-ICSRJNTNSA-N 454.531 1.163 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CCn2cc(Br)cn2)cc1 1521095056 IDKYVCSDGYFSIN-UHFFFAOYSA-N 455.320 1.802 30 10 JDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1539090144 XXRBLSPDLMZPKX-UHFFFAOYSA-N 493.593 1.991 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1539428546 SVFMONRLAVRIDB-SFHVURJKSA-N 459.595 1.430 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCCc2nc(C)no2)CC1 1539461283 CTRVBVNHILKIKQ-UHFFFAOYSA-N 451.531 1.945 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C 1540151096 CVOLDWFQEMDAEO-RBBKRZOGSA-N 492.628 1.494 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1540869679 ULGCAGGGWOKFAN-UHFFFAOYSA-N 474.569 1.711 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1540870893 ZNYFEJJTXZUWDZ-FQEVSTJZSA-N 488.614 1.126 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1540906860 DXZCNNAHPQMBLT-UHFFFAOYSA-N 489.646 1.731 30 10 JDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H]1CCCCO1 1541941300 IDIMDFFPSDTSHL-IAGOWNOFSA-N 491.593 1.795 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1587697811 YDBDOWJTALGZTJ-SFHVURJKSA-N 459.572 1.696 30 10 JDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1587861296 JOBCIMKNHZMYQP-IBGZPJMESA-N 491.639 1.413 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1588065091 UAVHGKFRCWBEDB-HSALFYBXSA-N 474.583 1.044 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCN2CC)CC1 1594097382 SCEZPIFZYRNABY-MOPGFXCFSA-N 452.625 1.642 30 10 JDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1595319439 QIOMTZNINBPHII-PMPSAXMXSA-N 454.597 1.910 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1595516800 JBDPOAUIPROVHV-UYAOXDASSA-N 484.601 1.812 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1595537262 OSGZDTNNPKMRBE-QGZVFWFLSA-N 489.939 1.286 30 10 JDEE C#CCNC(=O)CC[C@@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2cccc(OC(F)(F)F)c2)N1C 1616139378 BFNJXLDPBDNQGP-POAQFYNOSA-N 452.477 1.488 30 10 JDEE C=CCO[C@@H]1CCN(CC(=O)N(CC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1616570324 RDNVFOMOXXAVBR-LJQANCHMSA-N 455.559 1.845 30 10 JDEE CN(C)CCN1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CC1 1617693009 CLHAJYHPPIMFGR-NRFANRHFSA-N 477.679 1.584 30 10 JDEE COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)CSc1nc(C)c(C)c(C)c1C#N 1638590229 GCICBRHYOOOBPC-HOCLYGCPSA-N 450.586 1.940 30 10 JDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1667249977 MKRDBTVKYWOYKF-ZDUSSCGKSA-N 453.464 1.181 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCC2(O)CCOCC2)c1 1689870216 GGWKGNNBCSKHGT-UHFFFAOYSA-N 461.526 1.723 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCCN2CCOCC2)c1 1689870504 QLEBSXJAISOOKS-UHFFFAOYSA-N 476.585 1.847 30 10 JDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1689949624 LRDQQYFMQUIKBO-MRXNPFEDSA-N 463.560 1.464 30 10 JDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCS(=O)(=O)CC=C)[C@@H]1CCS(=O)(=O)C1 1689985993 GPOYEMIEBRREDD-MRXNPFEDSA-N 483.015 1.826 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCCCN1CCC[C@@H]1CO)[C@H]1CCS(=O)(=O)C1 1689986633 UJMZBUAEFUFSKW-UXHICEINSA-N 472.615 1.204 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1689989502 GDSWEHKIXMQPCQ-RBBKRZOGSA-N 485.610 2.000 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCN(c2ccccc2)CC1 1690077816 XLKFPGKBMHFHBG-NRFANRHFSA-N 470.643 1.852 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(O)CCN(C(C)C)CC2)CC1 1690133563 LHAAQHZXUBAIDO-UHFFFAOYSA-N 482.629 1.856 30 10 JDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCN1CCOCC1 1690174546 DZVQNQWBHBROQI-IBGZPJMESA-N 494.662 1.721 30 10 JDEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690632936 YODFHDPQHAWDDM-LBPRGKRZSA-N 465.739 1.694 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1690644293 CCTZLMFVRJCUFZ-IBGZPJMESA-N 480.635 1.416 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690661263 YJZXZOBHMDNKED-INIZCTEOSA-N 494.593 1.720 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(N(C)C)c2)C1 1690700418 SAQCSAOGAXNQCW-LEWJYISDSA-N 490.630 1.507 30 10 JDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1705508202 ROGZRIGATSVCMG-GOSISDBHSA-N 450.609 1.425 30 10 JDEE C#CCCCCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705521712 JJPQVDQITWLMAX-PXDATVDWSA-N 472.634 1.865 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1705531908 AKANTBLSPQCWJE-LJQANCHMSA-N 485.610 1.955 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1705566029 LIEOLOZZSYGUST-WMZOPIPTSA-N 455.544 1.258 30 10 JDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705570571 ROLCIRGERJFDAQ-IAGOWNOFSA-N 461.613 1.472 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCn2cc(Br)cn2)CC1 1705634853 KRQSKGNOKIEQBY-HXUWFJFHSA-N 478.395 1.345 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1705634981 NXGIQXCQESPOJM-TVZXLZGTSA-N 488.677 1.962 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCC2)CC1 1705648508 UCZBPXBKOUOTJD-LJQANCHMSA-N 476.647 1.020 30 10 JDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705656539 AOIJPDUVZDXFBI-KRWDZBQOSA-N 484.582 1.801 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1705725452 BNHHAQKXMQOFTL-SFHVURJKSA-N 479.607 1.114 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCn1cccn1 1705904216 IVYVGFUYKYVWRL-KRWDZBQOSA-N 474.566 1.222 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(c2cnn(C)c2)CC1 1705907430 MMTZFVDBTMPSBP-UHFFFAOYSA-N 468.587 1.689 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](C(=O)OC)C2)cc1 1705911186 ASIGIJJXXMJEBY-QZTJIDSGSA-N 460.556 1.793 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705931440 PQFBNVMHYUKOBD-HNNXBMFYSA-N 488.035 1.669 30 10 JDEE CCCN1CCC(N(C)c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1709779275 BRFBBNXMWSKRRS-UHFFFAOYSA-N 481.601 1.898 30 10 JDEE C#CCCCCn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722322596 LOKXLTNJWCCYKB-RUZDIDTESA-N 472.634 1.867 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722359170 QVEJRSVTPNDRQX-IRXDYDNUSA-N 474.587 1.613 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1722360133 ZEPIIDDPZNPVOD-VQTJNVASSA-N 478.663 1.698 30 10 JDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCS(=O)(=O)CC=C)[C@@H]1CCS(=O)(=O)C1 1722360896 WUJQXEMVHGLTNO-HXUWFJFHSA-N 476.624 1.735 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2COc3ccccc32)CC1 1722440283 BSOAGKSSHYJFCW-GOSISDBHSA-N 450.543 1.558 30 10 JDEE C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC(=O)NCCOC)CC1 1722522136 YEECKQDIXIHXFD-UHFFFAOYSA-N 464.574 1.592 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1722603464 JMWSGKAIYHVQRW-SIKLNZKXSA-N 482.651 1.268 30 10 JDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1722702277 MUKZSVWKKJUYFE-IBGZPJMESA-N 458.485 1.232 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)NCC)CC1 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C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)NCC(F)(F)F 1740679094 ZBUPJWMRTGBLEO-UHFFFAOYSA-N 466.464 1.912 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(CCC)C(=O)C1 1740963781 XCDVKCPENURVAR-UHFFFAOYSA-N 451.531 1.480 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1740965488 JTAKUAXEYKOXCK-KKSFZXQISA-N 476.528 1.909 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1740987631 KVJDRBWUPZOYCJ-QGZVFWFLSA-N 454.574 1.178 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1740992333 FIYDZRDZRRAXFT-IBGZPJMESA-N 474.631 1.996 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1740993504 DCVMGDRQGMLARM-QZTJIDSGSA-N 462.528 1.880 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1741017518 NTZKYKCTZOJGMC-MAVBTGMRSA-N 488.552 1.648 30 10 JDEE CCS(=O)(=O)N(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1747426611 HUSPNDWUMGNXCO-IBGZPJMESA-N 494.643 1.360 30 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482.628 1.811 30 10 JDEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749374095 YHLFGQGAFVUDIB-LJQANCHMSA-N 466.586 1.821 30 10 JDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1749606163 NGOMNIPVQOAIOY-ZDUSSCGKSA-N 470.958 1.829 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1749650619 COCHJFORVRGMSY-FUHWJXTLSA-N 485.976 1.221 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1749660490 QXTBNCRQAWVJBB-UHFFFAOYSA-N 482.570 1.963 30 10 JDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2cnc(C)s2)CC1 1749678060 UUTQDDFRXBTFQY-UHFFFAOYSA-N 469.619 1.529 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C(N)=O)C1 1749729417 IZVBQZUAICVNPH-CYBMUJFWSA-N 468.377 1.620 30 10 JDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1749734478 JHGCBTJWRRVAIL-UHFFFAOYSA-N 461.588 1.745 30 10 JDEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760139623 JLZVSWZQYGLXNG-UHFFFAOYSA-N 476.585 1.493 30 10 JDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2nc(C)cs2)CC1 1760155486 ZLQQDVIKWXPLBB-KRWDZBQOSA-N 479.632 1.116 30 10 JDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1760163349 SXYWGFYEBGYGIB-ICSRJNTNSA-N 460.604 1.249 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1760181616 YJVHTIKIVCABJD-IBGZPJMESA-N 485.610 1.887 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)C1 1760321887 LGRDGOZRUYPBRT-MYZTUTKLSA-N 471.599 1.777 30 10 JDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1760357921 PFGWLGMVEKKKRV-UYAOXDASSA-N 493.634 1.451 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)NCc2ccccc2)C1 1760542827 KIKPREHLSJDJOB-PMACEKPBSA-N 473.599 1.668 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1760553723 GXFNUTZVLHPYNL-GOSISDBHSA-N 461.592 1.252 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1760555337 CSOGVAZBONRFBE-AWEZNQCLSA-N 485.492 1.202 30 10 JDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccccn2)CC1 1761270186 HXHASTFJIOVKQT-UHFFFAOYSA-N 480.598 1.866 30 10 JDEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1763751797 DRTLTBFMPHKYEZ-XMMPIXPASA-N 469.590 1.490 30 10 JDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 1858963508 OIMDUJCGPTXUJA-UHFFFAOYSA-N 483.502 1.427 30 10 JDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCc2cccnc2)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865716854 KHAICMBHYAXUNL-GOSISDBHSA-N 475.505 1.055 30 10 JDEE CC(C)(C)OC(=O)N[C@@]1(CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CCOC1 2255802825 FNJNIIABLSJWBD-HXUWFJFHSA-N 453.370 1.856 30 10 JDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCCOCCOCCNC(=O)OC(C)(C)C)C1 2266492085 KHAZOBRMTADSPW-UHFFFAOYSA-N 469.579 1.967 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCON(C(=O)OC(C)(C)C)C2)n1 2267155863 ZTQICBVBUNRNLB-CQSZACIVSA-N 450.345 1.873 30 10 JDEE CCn1cc(C(=O)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267179042 KKXGGWVNDJHQAG-CABCVRRESA-N 450.345 1.224 30 10 JDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267469950 CPHIVIAGVMJSRX-CQSZACIVSA-N 470.401 1.349 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 2267716491 NWPBLNSUQZBCCM-KGLIPLIRSA-N 468.385 1.102 30 10 JDEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268657457 IFDYGZPZZYZZLA-CQSZACIVSA-N 455.292 1.930 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2268766209 MWVQDTLAOBQFLW-ARFHVFGLSA-N 468.381 1.005 30 10 JDEE CC1(C)OB(c2cc(C(=O)N3CCC[C@H]4CC[C@]43CNC(=O)C(F)(F)F)[nH]n2)OC1(C)C 2281991308 YKRSPIFLKCMQFK-BUXKBTBVSA-N 456.274 1.772 30 10 JDEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282524645 KWDWFJRLGOYDBM-IBGZPJMESA-N 453.396 1.265 30 10 JDEE CC1(C)OB(c2cnc(C(=O)NC[C@]3(O)CCN(Cc4ccccc4)C3)c(F)c2)OC1(C)C 2282542607 JLZHMZBLHGDSNR-XMMPIXPASA-N 455.339 1.887 30 10 JDEE Cn1cc(C(=O)NC[C@H]2CO[C@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282589264 ZYHFWGZZGAKYPB-GJZGRUSLSA-N 464.372 1.379 30 10 JDEE Cn1cc(C(=O)N=[S@@](C)(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282589275 LOQHILPKFDNICX-GSLRCMBYSA-N 482.412 1.967 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H]1CO 2282629655 YQUSXMMWBUHFID-HOCLYGCPSA-N 462.356 1.124 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 2282695333 MLXJVJMKOMFRSP-ZIAGYGMSSA-N 461.372 1.490 30 10 JDEE C[C@@H]1C[C@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1C(=O)OC(C)(C)C 2282841049 ROMOJGLIXZXMJD-ZIAGYGMSSA-N 485.416 1.181 30 10 JDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)[C@@H]1COC(C)(C)C1 2282842161 UJRRAHREESUJPO-KRWDZBQOSA-N 476.408 1.873 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)N=c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)[nH]2)C1 2283974756 NHEVGHNZCBQHRX-AWEZNQCLSA-N 480.802 1.994 30 10 JDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2364883655 GHWDMXDTKQLJBD-HOTGVXAUSA-N 466.315 1.852 30 10 JDEE COc1cccc(/C=N/Nc2n[nH]c(SCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n2)c1 20274042 ATSZUNGERPMSPD-ZVBGSRNCSA-N 451.468 1.874 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)CC1 27165427 WXCRJIFAKXBPSU-UHFFFAOYSA-N 472.567 1.556 30 10 JDEE COc1ccc([C@@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)cc1OC 72444298 JGFFTBAYISEDPR-YOEHRIQHSA-N 467.482 1.354 30 10 JDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@@H]1c1ccc2c(c1)OCCCO2 72461113 ITRNTZVVHQQYIB-MAUKXSAKSA-N 479.493 1.498 30 10 JDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(-c3ccc(F)cc3)c2=O)s1 254398485 PJDRHQRXLSZRDO-UHFFFAOYSA-N 498.605 1.360 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(S(=O)(=O)NCC(=O)OC)c3)cc2C1=O 481653683 GBBLQOMBXYZGRW-UHFFFAOYSA-N 457.464 1.172 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1C[C@H]1CCCO1 514648495 CTICTZQQFUPMEK-OAHLLOKOSA-N 461.490 1.495 30 10 JDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2Cl)c(=O)n1C[C@H]1CCCO1 609323757 YQROYFNFLRBJAL-OAHLLOKOSA-N 489.981 1.565 30 10 JDEE CSCCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnn3ccccc23)c1=O 729669733 SXAUQCKYDKTDBS-UHFFFAOYSA-N 467.620 1.872 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1286379920 DXMCTIGVWPBNMW-INIZCTEOSA-N 453.634 1.719 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C(CC)CC)N(C)C)[C@H]1CCS(=O)(=O)C1 1286380341 HTWIQDHCFFYTBI-VQTJNVASSA-N 478.663 1.507 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286388584 RWNBVLLOLAXEFH-GOSISDBHSA-N 487.582 1.211 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1286394924 QFHDYFJJWCVHJL-MSOLQXFVSA-N 458.588 1.308 30 10 JDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)NCC(F)(F)F 1286415072 HAKILGRFSUMXNR-UHFFFAOYSA-N 487.530 1.394 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCS(=O)(=O)NC(C)C)CC1 1286476862 HFIUWMMTIAEEHX-UHFFFAOYSA-N 482.614 1.214 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286671705 XOIPLOMJGAXYTM-KRWDZBQOSA-N 452.563 1.652 30 10 JDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1286712252 UWADBVGYAQGBPU-NHCUHLMSSA-N 460.623 1.898 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1Cc1ccccc1 1286726886 KAMLTGPWKYYSQT-LEWJYISDSA-N 474.631 1.898 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCn2nc(C)nc2C1 1286783236 HVGIYHVYCLMXCB-UHFFFAOYSA-N 452.519 1.575 30 10 JDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286784989 ATQQYKRBBBYRMP-UHFFFAOYSA-N 485.614 1.599 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1286785240 CBJWDUNWEMBUSP-LJQANCHMSA-N 453.547 1.257 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)Cc1cnn(CC)c1 1286786870 KGKLRARCODSLGU-UHFFFAOYSA-N 475.557 1.830 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286818377 WQATVEJTRIZKHW-GOSISDBHSA-N 452.625 1.137 30 10 JDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286831066 SQMZLELJEDXXLD-CQSZACIVSA-N 468.605 1.443 30 10 JDEE C#CC[C@H]1CCCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1299853247 QTEQPDXBACCKSB-WMLDXEAASA-N 459.490 1.880 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(OCC(N)=O)c1 1300311224 RCSSYTAINWPVQN-FXAWDEMLSA-N 498.584 1.957 30 10 JDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1300363209 CNORCHGURIZZIL-INIZCTEOSA-N 461.548 1.930 30 10 JDEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1300489409 NMPHAMUFEXHBIE-GOSISDBHSA-N 466.567 1.598 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1300497719 CNISADNUQKWCFA-KRWDZBQOSA-N 457.585 1.293 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(C)cc1)N(C)C 1300631267 OTLDDXVTSBJLHX-RTWAWAEBSA-N 474.631 1.682 30 10 JDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(=O)NCC(F)(F)F)CC1 1300683449 NYGYNDPXYBESJQ-OAHLLOKOSA-N 468.455 1.991 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(NC(N)=O)cc2)CC1 1300685303 KZTNHTOHHNZEFU-HSZRJFAPSA-N 453.547 1.224 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[S@@](=O)C(C)(C)C)CC1 1300716380 LYDYXXBLWROHPQ-PBUKZNKTSA-N 493.674 1.832 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)COc2ccccc2OC)CC1 1300722968 ODINNKCCUWQXDU-UYAOXDASSA-N 494.596 1.919 30 10 JDEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@](C)(C(=O)NC)C1 1300768345 PQFUGGFVOZBLSQ-SANMLTNESA-N 495.697 1.972 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2noc3c2COCC3)nnc1N(CC)CCS(C)(=O)=O 1300880756 KOUUWNUUWIJPPS-KXBFYZLASA-N 465.576 1.858 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1300897635 SWFVUXIWHWNIML-DYXWJJEUSA-N 483.635 1.427 30 10 JDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(=O)OC)C1 1300991091 JTJQJRIWPINCQG-MRXNPFEDSA-N 452.515 1.784 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1301520554 IIVOSBQLXUSHBD-WMZOPIPTSA-N 464.567 1.361 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1301569597 ZXAOREVRVJNLJR-ZWKOTPCHSA-N 489.664 1.023 30 10 JDEE CC(C)CCN1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CC1 1303089612 DCUWRUFJNLSVSU-IEBWSBKVSA-N 467.640 1.375 30 10 JDEE C[C@H](CN1CCCCC1)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1303752486 HEGRUBQXKOHFQG-QRVBRYPASA-N 467.640 1.471 30 10 JDEE CS(=O)(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 1316352502 GQTYZIRYMPSORU-NRFANRHFSA-N 492.627 1.068 30 10 JDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccc(Cl)cc2)CCO1 1316539075 BLUDTGBWHZJZGR-WMLDXEAASA-N 451.936 1.641 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCOCCS(C)(=O)=O)c1 1358901662 SCBBWZJHCITFSJ-UHFFFAOYSA-N 461.588 1.693 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCC(O)CC1 1358949282 XSYNEOGRKFFKDI-HXUWFJFHSA-N 457.600 1.255 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1358957810 ASAIZZOIXTYDBG-INIZCTEOSA-N 468.988 1.728 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=C)Br)CC1 1359042153 UOBGDOBAXMQXOJ-HXUWFJFHSA-N 466.380 1.805 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1359046444 RVSPYZCIRHEMEQ-LEWJYISDSA-N 455.534 1.514 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)N(C)C 1359065765 AYFMCRCJEPCGIV-GOSISDBHSA-N 469.409 1.930 30 10 JDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1359082155 AQQYMWSVWMGOKH-HZPDHXFCSA-N 480.411 1.271 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CC(OCC)C2)CC1 1359165701 UYPWOOITIMHQFP-ACBHZAAOSA-N 453.609 1.973 30 10 JDEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359216596 YTTFTQCRAKFDCG-UHFFFAOYSA-N 474.635 1.890 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1359297392 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WSSNQFIETMEWLS-KRWDZBQOSA-N 478.596 1.158 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507630868 JDGFDFRTWTVXEC-CVEARBPZSA-N 475.575 1.275 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507638960 HZNKCLKDTOQLFS-SFTDATJTSA-N 487.626 1.513 30 10 JDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1507679884 SRBNSHCWHCCQEE-MOPGFXCFSA-N 474.631 1.617 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(C)C)nc1 1507688529 CGLNNQHRIJKZAI-GOSISDBHSA-N 462.576 1.301 30 10 JDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCS1(=O)=O 1507703931 JSRBYBCBXKWYLB-GHTZIAJQSA-N 454.593 1.372 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1507724891 LLRTYFWTFFUPJA-UHFFFAOYSA-N 471.612 1.444 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCS(=O)(=O)CC)CC1 1507735381 UYIOKDRARDXXKQ-UHFFFAOYSA-N 487.582 1.117 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cnn(CC(C)C)c2C)CC1 1507740283 ZVZVMHDYPRXCKR-HXUWFJFHSA-N 453.591 1.957 30 10 JDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1507966665 ANXFCBMWUBHXKR-RTBURBONSA-N 453.609 1.769 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1508144276 OVTPMGTWJHHBQA-QGZVFWFLSA-N 470.592 1.622 30 10 JDEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2CC2(C(N)=O)CCOCC2)cc1 1511044120 DGIMYRWCMKYONU-QGZVFWFLSA-N 456.572 1.890 30 10 JDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC[S@@](=O)C(C)(C)C)CC2)c1C#N 1511661072 CCAULLPLDYBVET-UYCLUKJHSA-N 487.634 1.017 30 10 JDEE CCOc1cc(C)ccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1516243439 CIWKVBKILPUEHV-FXAWDEMLSA-N 476.603 1.962 30 10 JDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1517680022 CTGONUISHCSBFO-MSOLQXFVSA-N 488.570 1.010 30 10 JDEE COCCN1C(=O)c2ccc(C(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)cc2S1(=O)=O 1523932623 DVOMKMGCTHIREV-MRXNPFEDSA-N 456.480 1.038 30 10 JDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CCCO2)CC1 1539072617 SLSRLYKUZXUIEM-WOJBJXKFSA-N 465.620 1.810 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1539200312 GJUQDFPZTTVSQE-MRXNPFEDSA-N 496.515 1.603 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1539212672 XBYQFTKMVYNMMP-FQEVSTJZSA-N 480.594 1.513 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1539446507 DSMVNQNKQQHKBS-PXNSSMCTSA-N 492.596 1.517 30 10 JDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1539688439 AKOMAQFFUWGWHA-WIYYLYMNSA-N 474.631 1.928 30 10 JDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1540004548 AWGMTYWCMNUHEF-RTBURBONSA-N 482.651 1.566 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@H](COC)C1 1540897783 SFDSEWOPWZRRFW-KRWDZBQOSA-N 462.576 1.779 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1540908048 OYIWQLULWWQTOU-IKGGRYGDSA-N 495.568 1.676 30 10 JDEE C=C(CN(C)C)C(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1557165354 CONAKXKWIYTRKU-UHFFFAOYSA-N 453.565 1.392 30 10 JDEE N#C[C@H]1COCCN1C(=O)c1cccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)c1 1565731277 ANFGRWWMBKWGJZ-ZWKOTPCHSA-N 455.540 1.864 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N1CCN(CC)CC1 1587614243 GSQUDBFTPMFKTO-OALUTQOASA-N 472.663 1.722 30 10 JDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1CCS(=O)(=O)CC1 1587921646 DXDDZAJDHOEANQ-UHFFFAOYSA-N 464.617 1.441 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)N1CCSCC1 1588020080 DEJLVHKLXILQMB-KRWDZBQOSA-N 498.675 1.798 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1588035944 ZSYMLFMZWXCNDT-KRWDZBQOSA-N 492.598 1.759 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588051003 ZDMWUEMRVICDNU-IRXDYDNUSA-N 489.602 1.617 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc2c(s1)C[C@H](C)CC2 1588647293 UCYWAQZEFXMXJJ-CVEARBPZSA-N 463.629 1.896 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)c(Cl)c2)CC1 1588836054 DCKCARYORHZHQA-IBGZPJMESA-N 496.996 1.207 30 10 JDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1588848240 BEFRFFJUPBIGRY-OYRHEFFESA-N 451.619 1.907 30 10 JDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC)CC1 1589294864 BNSRHRCZOHOULG-UHFFFAOYSA-N 450.297 1.722 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1589443083 LFTZLXXZPLBEER-HZPDHXFCSA-N 483.411 1.677 30 10 JDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCS(=O)(=O)N2CCSCC2)CC1 1594144032 VULZVYQDJRTTON-ROUUACIJSA-N 471.649 1.537 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ncnc3sccc23)CC1 1595466215 GOXCBQKEIYXGCZ-UHFFFAOYSA-N 497.629 1.830 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1595496997 NDQXQIXSPGSRNN-WJONJSRFSA-N 456.503 1.928 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1595497225 UIDYDQLLLXBQET-UHFFFAOYSA-N 478.557 1.771 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)OC[C@H]2C1 1595777268 KSERJFSXCMXOJR-CQSZACIVSA-N 496.387 1.949 30 10 JDEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1607931704 CRMJDZKMDHVMFU-UHFFFAOYSA-N 473.585 1.977 30 10 JDEE C#CC[C@H]1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Br)C1 1642246020 VQSRULHJTIIAMP-YOEHRIQHSA-N 455.374 1.854 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 1670882641 RRJIDIGODTYNPU-CYBMUJFWSA-N 459.366 1.805 30 10 JDEE Cc1nsc(N2CCN(C(=O)NCC(=O)N3CCN(c4ccccc4)CC3)CC2)c1C#N 1678301974 CXUYNQCSKLGQMF-UHFFFAOYSA-N 453.572 1.504 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1681943874 VIPREVJUPUVFMQ-KSSFIOAISA-N 451.574 1.688 30 10 JDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1689912824 BLKDMRKKYBWTCA-INIZCTEOSA-N 497.069 1.573 30 10 JDEE C#CCCCn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1689941880 WTPZWGOBRKVGJU-XMMPIXPASA-N 467.574 1.553 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 1689979716 GLJMZNDUYYMCDA-AZUAARDMSA-N 493.655 1.375 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689988380 NXPSCGGNDWPRCX-GCJKJVERSA-N 458.588 1.693 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1689989503 GDSWEHKIXMQPCQ-UNMCSNQZSA-N 485.610 2.000 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Oc2ccccc2OC)CC1 1690109505 UJDYIDHGBVVHMD-LJQANCHMSA-N 452.559 1.745 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)cc2F)CC1 1690124007 CFJAVIUPHYYOQX-INIZCTEOSA-N 451.955 1.776 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(OCC)c2)CC1 1690136870 KSDJFOIWKLRIMP-QGZVFWFLSA-N 488.614 1.301 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2nnc(C)s2)CC1 1690138045 QOVUYPGHYNGKMI-OAQYLSRUSA-N 459.576 1.104 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1 1690245816 NHVHPCXLGPNQPR-FPSMNIFISA-N 457.572 1.386 30 10 JDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC(=O)N1 1690555799 DOKFEDNYUBWMDQ-ZWKOTPCHSA-N 459.572 1.660 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1690659398 RILDQRPWZYVSBU-UHFFFAOYSA-N 496.616 1.096 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1690661109 VAHAHKSRIQXOEQ-RYRKJORJSA-N 462.576 1.157 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@@H](C(=O)NC)C1 1690663051 KSELAKZFQFEKEZ-GDBMZVCRSA-N 458.588 1.385 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1690670609 FTPNJXPKRHRQPX-IEBWSBKVSA-N 454.579 1.616 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1690678372 UNXHBZGWCPILLP-GNBUJSLZSA-N 490.605 1.607 30 10 JDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCCCC1=O 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475.619 1.545 30 10 JDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1722699374 GYMVZUKIRAIZRA-FQEVSTJZSA-N 487.511 1.216 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC[C@H](CN3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722703538 BFDJLCLAFKHDQT-HYBUGGRVSA-N 476.622 1.170 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(Cn3nc(C)cc3C)CC2)nnc1[C@]1(OCC)CCOC1 1722703648 DSZPWBWYNPNYHS-DEOSSOPVSA-N 471.606 1.962 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1722725395 KUEUWDZSJJVZKH-AZUAARDMSA-N 475.615 1.711 30 10 JDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1722769664 CPKHIQOLSWMSSY-LNVKXUELSA-N 474.525 1.402 30 10 JDEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1730459012 HMTDWFFURULVND-GOSISDBHSA-N 455.563 1.221 30 10 JDEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1740576842 JCIZUEVCIDPIED-UHFFFAOYSA-N 494.596 1.211 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1740617838 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451.556 1.897 30 10 JDEE C=CCN=c1nc(Nc2ccc(I)cc2)[nH]c(N2CCN(CCO)CC2)n1 1871704471 SKOGEECNIZCWQN-UHFFFAOYSA-N 481.342 1.354 30 10 JDEE C=CCN(CC=C)c1nc(=NCCCN2CCCC2=O)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871709486 HENOBDIGYPQNNO-UHFFFAOYSA-N 465.558 1.833 30 10 JDEE C=CCN1C[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)CC2)CC1=O 1872995962 WZSSWXMJBKVDCT-DLBZAZTESA-N 458.946 1.398 30 10 JDEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H](CO)NC(=O)OC(C)(C)C 2256624402 MPTRDXDGMXLETP-OCCSQVGLSA-N 455.386 1.847 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@H](CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267343504 MPNHPYCGUWCDLR-HNNXBMFYSA-N 467.397 1.916 30 10 JDEE CC(C)(C)OC(=O)NCC(F)(F)CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267417393 FBJBCHHFLVLVHW-UHFFFAOYSA-N 477.339 1.819 30 10 JDEE CO[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@](C)(CNC(=O)OC(C)(C)C)C1 2281978913 KGKGJZWVXSJZAT-JLCFBVMHSA-N 464.372 1.853 30 10 JDEE CCn1cc(C(=O)N[C@@]2(CO)CCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 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C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1507717689 FSABABZGORHTPY-QHCPKHFHSA-N 479.629 1.652 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1507731320 FPWMZOOYMNZETQ-NRFANRHFSA-N 457.600 1.542 30 10 JDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507751504 JJJUKSJLYGGLMJ-GOSISDBHSA-N 453.572 1.782 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@@H](S(=O)(=O)NCC)C2)nnc1[C@@]1(OCC)CCOC1 1507811661 SSZSVZUXHTXDGN-NXWNEQKCSA-N 483.635 1.429 30 10 JDEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507959361 MGPKMYUYUAHUKF-UHFFFAOYSA-N 470.574 1.720 30 10 JDEE C=CCNC(=O)Cn1c(N2CCN(c3ncccc3F)CC2)nnc1[C@]1(OCC)CCOC1 1508097704 KAESSQDPXZVLIN-QFIPXVFZSA-N 459.526 1.093 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(F)cc(OC)c2)C1 1508108066 DKKKTMYGZHORRS-YOEHRIQHSA-N 453.540 1.866 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2OC)CC1 1508130843 JDBSQGILJOURBG-UHFFFAOYSA-N 488.614 1.450 30 10 JDEE 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460.604 1.381 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCCOC)CC1 1539452090 KVLYTSLLHOVHAU-IBGZPJMESA-N 478.594 1.005 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCC(=O)N(C)C)CC1 1539480482 ABILWVRMLULTRY-NRFANRHFSA-N 480.569 1.625 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cccc(N3CCOCC3)c2)CC1 1539488563 BBGOJNQUJBXDHD-UHFFFAOYSA-N 466.586 1.665 30 10 JDEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1539793017 HLJMHHKQXUZJJN-UHFFFAOYSA-N 464.983 1.589 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1Cc2ccccc2O1 1540201169 PFOMIWWIUZQHKM-UYAOXDASSA-N 477.587 1.254 30 10 JDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NCCCOC)CC1 1540856849 BFYASTHGNTWBMW-UHFFFAOYSA-N 465.558 1.747 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1540864611 GBFHAANQUWOUGN-UHFFFAOYSA-N 486.573 1.720 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2ccc(F)cc2)C1 1540882348 HAURRKOOQQNLFL-FPDPHYFHSA-N 467.567 1.716 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1540901753 NVKPDJAMEJQTKP-FQEVSTJZSA-N 483.598 1.837 30 10 JDEE CC(=O)N1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C#N)o2)[C@H](C)C1 1540996384 IKBVKAWDZLIPDY-CQSZACIVSA-N 453.528 1.840 30 10 JDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1552712753 HVCXRUFALUNQBY-DEOSSOPVSA-N 478.557 1.693 30 10 JDEE C#CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)CC2)cc1 1586927341 AALFRMDBPBMYBL-UHFFFAOYSA-N 459.480 1.762 30 10 JDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1587831535 PGFZGHLWLGOIJJ-UHFFFAOYSA-N 469.575 1.194 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(O)CCSC2)CC1 1588908293 NKAWNKYIIYNFMO-XMMPIXPASA-N 485.610 1.796 30 10 JDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1589048208 YAMIUYWXMSMBAU-UHFFFAOYSA-N 451.556 1.713 30 10 JDEE C=C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCNS(=O)(=O)CC)CC1 1594097239 OQDUXHZNJWXGEN-UHFFFAOYSA-N 460.608 1.548 30 10 JDEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1594533320 BNTPIJYNICIUQY-QXAKKESOSA-N 481.644 1.872 30 10 JDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1594720351 KBCVTWSPDZKWCH-MRXNPFEDSA-N 471.587 1.676 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Cl)ccc1OC 1594961627 DHUCSAGUFUKXKP-QGZVFWFLSA-N 455.968 1.944 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(Cl)c1 1594961860 GIPFUKOOLJDKRZ-QGZVFWFLSA-N 455.968 1.966 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 1595475919 HFSNWBWXMIKXCL-NVXWUHKLSA-N 490.586 1.303 30 10 JDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1595569928 RJSYCMQANLUTCL-UHFFFAOYSA-N 476.585 1.799 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1595766646 VIKZGHPVOPXTGD-KRWDZBQOSA-N 496.611 1.339 30 10 JDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1595894898 BOGGCJQSFPTNEJ-QGZVFWFLSA-N 467.603 1.696 30 10 JDEE C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1)N(C)C 1611582665 CJHXUMJCWGTDSK-HKUYNNGSSA-N 457.604 1.329 30 10 JDEE CC1(C)COCCN1CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1611799535 HLHZNMSRQCMXOM-NRFANRHFSA-N 461.567 1.822 30 10 JDEE CC1CCN(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CC1 1612869280 BHNNCBUSVAVSGF-HXUWFJFHSA-N 479.651 1.473 30 10 JDEE COc1cccc(-c2nnnn2[C@@H]2CO[C@H]3[C@H]2OC[C@H]3NC(=S)Nc2cccc(C#N)c2)c1 1616127300 FWMBBODHWVGHBT-WTGUMLROSA-N 463.523 1.914 30 10 JDEE CO[C@@]1(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@@](F)(C#N)C2)CCOC1 1619049612 BTAKKSJLJCOVEK-NHCUHLMSSA-N 478.550 1.443 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C[C@H]1C 1619951648 HPVNVRXTLYPXOA-PIJWYQRNSA-N 472.615 1.797 30 10 JDEE C#CCNC(=O)CN1CCN(C(=O)[C@@]2(c3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CC1 1623498882 HQEWDABQKHBQLH-VWLOTQADSA-N 454.571 1.459 30 10 JDEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CO)C(N)=O 1623847576 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C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-n1nc(C)cc1C 1689966474 SQPOPBGTJWXJQK-OAQYLSRUSA-N 483.598 1.531 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1689998092 BILLQDBKKBJNGZ-IRXDYDNUSA-N 481.619 1.748 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C(=O)OC(C)(C)C)C1CC1 1690032581 DXMJKHNVZVDDCX-KRWDZBQOSA-N 478.619 1.751 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1690039894 WCUAQVOVTRCYEZ-NHCUHLMSSA-N 473.585 1.883 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(OC)OC)c2)CC1 1690109229 KZWLZXCKYLWBQP-UHFFFAOYSA-N 452.559 1.609 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCc2cnn(C)c2)CC1 1690124855 VVDVTCJJYHBZGC-OAQYLSRUSA-N 498.632 1.708 30 10 JDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1690156054 RMYVLVQGWNNDAA-CRAIPNDOSA-N 467.592 1.972 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCn1ccnc1C 1690206417 QMUMJLLOVXMIBR-SIKLNZKXSA-N 475.619 1.588 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N2CCSCC2)CCCCC1 1690528070 WRNCLMMEIWCTAR-IBGZPJMESA-N 498.719 1.985 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CC3(CCOCC3)C2)C1 1690687042 XUKNMSQTGONPOP-WMZOPIPTSA-N 453.609 1.876 30 10 JDEE CC(C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1)N1CCOCC1 1691338409 GKAWVOUSMUWACY-UHFFFAOYSA-N 487.630 1.446 30 10 JDEE COC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)OC 1697761637 BIJMEXLCZAGFBF-SJLPKXTDSA-N 457.510 1.228 30 10 JDEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCNC(=O)C2CC2)cc1 1698488438 CWZAFAWESKCCAZ-KRWDZBQOSA-N 451.531 1.347 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(OC)cc2C1 1705516544 DJKZGYSAFQPVSJ-NRFANRHFSA-N 473.599 1.986 30 10 JDEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705520296 OVBSVUONKNHGLO-UHFFFAOYSA-N 464.570 1.630 30 10 JDEE C#CCCCn1c(C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1705525578 NMHIEDAADATOOC-QGZVFWFLSA-N 451.593 1.908 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1705560588 IGUXNUPVZIPYCD-AUSIDOKSSA-N 479.647 1.430 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccccc1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1705566420 ODOMQRRJNIUZFQ-FDFHNCONSA-N 498.653 1.939 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1705566983 SYMBMXDKHUQYDH-HZPDHXFCSA-N 461.613 1.895 30 10 JDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccs1)N1CCOCC1 1705572240 VBUKWPFDDUBLOC-IBGZPJMESA-N 452.584 1.722 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCC(=O)N(C)C 1705576098 GDFLDFDAFKOTED-UHFFFAOYSA-N 456.572 1.137 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](C)(O)C2CCCCC2)CC1 1705645549 XIYQTTBNJIIVPQ-HXOBKFHXSA-N 494.662 1.185 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1705649384 VVYZXYBEAQORAS-KDURUIRLSA-N 482.633 1.532 30 10 JDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nc(O)c2sccc2n1 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C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1300988362 BLUUVSANJRHBTK-VQTJNVASSA-N 483.635 1.396 30 10 JDEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1301164500 AFEQQUVEHWEAJH-UXHICEINSA-N 493.655 1.622 30 10 JDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(NC(C)=O)nc2)CCO1 1301403723 AHQDVVJCGDQEJJ-NRFANRHFSA-N 477.525 1.982 30 10 JDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1301479203 WDNOIGUUCOPYJR-HUUCEWRRSA-N 467.621 1.339 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(OC)c2)C1 1301556976 LCLYKWSWRPSMDF-WOJBJXKFSA-N 477.587 1.449 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(F)c1 1301588917 LTTURQZEAHBHIV-INIZCTEOSA-N 486.591 1.565 30 10 JDEE CN(C)C(=O)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1314634088 FDHUOSMHTOCOGG-VQTJNVASSA-N 486.598 1.498 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1358960582 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456.634 1.560 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1507630322 WYIUSSUQJZTXBE-FDDCHVKYSA-N 474.583 1.894 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(CC)(CC)SC 1507653725 QTYXHDBMKIFRMX-QGZVFWFLSA-N 453.634 1.606 30 10 JDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(NC(C)=O)c1 1507688468 AVURFASMSRDIGD-IBGZPJMESA-N 460.560 1.077 30 10 JDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1507718028 LDOFFGOPVGKYMB-OALUTQOASA-N 457.600 1.919 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(O)CCN(C(C)C)CC2)CC1 1507721636 RMQZYXJORFGKGT-UHFFFAOYSA-N 482.629 1.953 30 10 JDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCOC(F)F)CC1 1507723541 LZGBAXOHXORSFZ-UHFFFAOYSA-N 467.546 1.623 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCN(CCC)C2)CC1 1507737032 XFXULXBKYOEULM-CPJSRVTESA-N 472.634 1.628 30 10 JDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1507775652 SPOIVYBKPHIRTI-KGLIPLIRSA-N 460.336 1.796 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CN2CCOCC2)CC1 1507790787 DAWZUSJTVSFYBF-NHCUHLMSSA-N 460.623 1.946 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1508075133 OQZRBADACMNQDQ-IBGZPJMESA-N 490.630 1.809 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1508136468 HDSMLDMTTLYNCY-UHFFFAOYSA-N 464.489 1.896 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2ccnn2C)C1 1508152808 RGVLEAQUGGOFAS-JKSUJKDBSA-N 453.638 1.925 30 10 JDEE CC(C)OCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1509865713 FYIONZPCCSVSCV-QGZVFWFLSA-N 453.551 1.316 30 10 JDEE CNC(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1517554008 BRCMWKSUQGAXOZ-FQEVSTJZSA-N 454.531 1.497 30 10 JDEE COCC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1518963660 FCYMVWQOQATGRN-RDPSFJRHSA-N 468.558 1.936 30 10 JDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cnc(C(=O)OC(C)(C)C)cn2)c1 1528404158 BBSIPYMTVJNUIA-UHFFFAOYSA-N 450.495 1.919 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1539201078 VNRHYZFTGZTYEZ-HRAATJIYSA-N 477.612 1.110 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C(C)(C)C 1539325069 BBZAMOLAORPCHT-MSOLQXFVSA-N 451.593 1.135 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1539415797 HABQRIUNVXGLDY-QZTJIDSGSA-N 460.579 1.757 30 10 JDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1539597580 ZILSCXGJABRADO-HNNXBMFYSA-N 453.385 1.481 30 10 JDEE C=C(C)Cn1c(COCC)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1539717534 FMVDKFDMARQFBI-OAGGEKHMSA-N 455.581 1.517 30 10 JDEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(=O)N(C)[C@H](C)C1 1539751588 PWYQKBUQZBLPCV-GOSISDBHSA-N 454.579 1.712 30 10 JDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](N2CCCC2)C1 1540038241 YEBGGNCSERZGCK-UXHICEINSA-N 482.651 1.268 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1540858375 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C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1588050670 UJNFNLRUKGCOGW-KRWDZBQOSA-N 489.623 1.498 30 10 JDEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1588069172 ITRHKFJELDYXBN-QGZVFWFLSA-N 494.017 1.909 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)COCCO1 1588099326 LHWNXBDZUIEVEO-QFIPXVFZSA-N 457.556 1.074 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Cc2ccccc2)CC1 1588138474 DIUZNDUVUHQYBS-NRFANRHFSA-N 467.595 1.707 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC2CC2)c1 1588228910 NCJLQMNNOIBUPT-FQEVSTJZSA-N 453.568 1.875 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1588961783 LUHUZHBJKJHUFV-TZIWHRDSSA-N 470.618 1.962 30 10 JDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1589047950 OJLGDXAJMGWBJK-KRWDZBQOSA-N 464.617 1.270 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCC[C@@H](C)C2)CC1 1594097395 SJRBUORRSOCDHN-RTBURBONSA-N 452.625 1.499 30 10 JDEE C=CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)CC1)c1ccccc1 1594544962 PAOFIMUYWGJNPS-OALUTQOASA-N 464.613 1.775 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCOCC2)CC1 1594626220 KNGYMODLSQOVBZ-FQEVSTJZSA-N 482.651 1.268 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(CC(=O)NCC)CC1 1595497129 QNPCZSOALRJOKK-UHFFFAOYSA-N 485.658 1.836 30 10 JDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1595561977 JSZSZFLRJATFJY-UHFFFAOYSA-N 489.580 1.466 30 10 JDEE C=CCNC(=O)Cn1c(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)nnc1[C@]1(OCC)CCOC1 1595593457 DSTYFTPIEXXGPV-VWLOTQADSA-N 497.600 1.791 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1595789515 VFRVUCZKSMHCIL-SFHVURJKSA-N 474.509 1.866 30 10 JDEE Cc1cc(C)cc(OCC(=O)N2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)c1 1644949715 FAVLHLURJDVUFH-HSZRJFAPSA-N 455.603 1.519 30 10 JDEE C=CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 1680909310 KSAAHRXXKVLHNE-UHFFFAOYSA-N 457.618 1.601 30 10 JDEE C#CCCCn1c(N2CCN(c3ccc(C(N)=O)cn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1689941998 ZTTMLRDEHADHSR-XMMPIXPASA-N 467.574 1.553 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1689982381 LQYYSSUCBTYEER-HTAPYJJXSA-N 492.623 1.457 30 10 JDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1689983993 IXXJIJICJZKXKB-OFNKIYASSA-N 495.653 1.469 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@](C)(O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1689987653 ACSVXQWOJIOADL-DENIHFKCSA-N 489.001 1.866 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1689993601 HVJJNVOYGDTGMC-FQEVSTJZSA-N 453.572 1.555 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC(=O)NCCC)CC1 1690110473 NTZAEQXBZIOYJY-UHFFFAOYSA-N 451.575 1.819 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1690159910 QQAKYXALTIXUCX-INIZCTEOSA-N 476.628 1.229 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1690668601 BHONLIFTGIKURB-APWZRJJASA-N 465.558 1.838 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1690714817 VWRIILIMLYXJPU-IRXDYDNUSA-N 460.560 1.674 30 10 JDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1690727285 ZJVSRBZOZUHKLC-NRFANRHFSA-N 470.599 1.976 30 10 JDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C[C@@]2(CCOC2)O1 1693828351 FDPPBOCPHPXAOM-YCRPNKLZSA-N 494.474 1.791 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1705534186 BGOJCVNZYNTZAM-SJORKVTESA-N 469.608 1.869 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1705559171 SVYATOCAWYLUOE-WMZHIEFXSA-N 471.583 1.049 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2c(CC)nn(C)c2CC)CC1 1705632592 VOLXMILCASZFEI-UHFFFAOYSA-N 461.574 1.587 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)O)CC1 1705647068 ZFBSCNZAFDSEAU-UHFFFAOYSA-N 459.572 1.085 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC(=O)N(C)CC)CC1 1705651404 VXILISCLYHEMHE-UHFFFAOYSA-N 456.522 1.440 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2CN2CC[C@H](O)C2)CC1 1705781252 UJXGLASRJRXZKX-GCJKJVERSA-N 488.658 1.906 30 10 JDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1705806072 WHTWYQPEGFBNNW-PMACEKPBSA-N 493.634 1.762 30 10 JDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1705820049 ZPDRNCRXHCNODH-SFHVURJKSA-N 459.572 1.814 30 10 JDEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@]1(O)CCS(=O)(=O)C1 1705882804 LEWOHZMYSTUHSK-LJQANCHMSA-N 485.404 1.896 30 10 JDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705890797 JDKISCPZVZNHSZ-SJORKVTESA-N 484.623 1.538 30 10 JDEE C=CCn1c(COc2ccc(C)cc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705892725 BYTSDEXDSJKEDE-UHFFFAOYSA-N 471.587 1.904 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C2CCC2)CC1 1705895386 FFOOKHCNSLTDLR-UHFFFAOYSA-N 470.574 1.948 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705899117 INFFSHLTFXUCEO-UHFFFAOYSA-N 462.558 1.006 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705906643 LDPULQAILHNGFU-MRXNPFEDSA-N 467.979 1.826 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1705927670 DECLYEWRXDXMIX-UHFFFAOYSA-N 482.557 1.622 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705938944 NOPVMHOYSASXCY-IXDOHACOSA-N 469.608 1.875 30 10 JDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1705960485 IBWKYEWSHUBYMY-FQEVSTJZSA-N 465.558 1.370 30 10 JDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](c1ccco1)N(C)C 1706619263 AHHDKVNQBOKQAX-IBGZPJMESA-N 477.573 1.905 30 10 JDEE COC1(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CCC1 1711616607 DOWQVNGUIVFQCP-KRWDZBQOSA-N 452.581 1.310 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCS(=O)(=O)C1 1712441894 FEPHVGXCARZUBP-FQEVSTJZSA-N 488.614 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C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)N(C)C 1588259146 SJTDMTRTXBFZIB-HDICACEKSA-N 478.619 1.403 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1588629009 SWVMPLIWTMCSSW-UHFFFAOYSA-N 454.535 1.019 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1588923779 LVZARCDIJLVUJL-GGPKGHCWSA-N 455.607 1.315 30 10 JDEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@H]2C1 1589125999 UXZWXGSZLLZOLS-IRXDYDNUSA-N 475.619 1.930 30 10 JDEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1593747367 VHNFXLQYTWQXQY-QZTJIDSGSA-N 491.593 1.393 30 10 JDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ncccc1Cl)C1CC1 1595058219 FESNKPUYIUYVCC-KRWDZBQOSA-N 482.994 1.893 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)C(C)C 1595171074 PTCURRFFUKCXOV-KHCICDEESA-N 455.607 1.644 30 10 JDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1595405820 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C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1689985982 GNLPWQHXRSXWEH-GOSISDBHSA-N 451.556 1.476 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1689992953 RNYIWOANQXEAQF-IBGZPJMESA-N 458.975 1.931 30 10 JDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690034380 GBVHISXRUWWXKU-HFMPRLQTSA-N 489.642 1.597 30 10 JDEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690231647 JXQUVNITDUUTLD-INIZCTEOSA-N 489.374 1.128 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)[C@H](C)CC)CC1 1690411188 HISPQJCWJXCMIZ-IEBWSBKVSA-N 454.641 1.744 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690675747 DGFQZTGKYGGFHU-OAHLLOKOSA-N 498.403 1.545 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC[C@H]1C 1690717603 KOMAKDKFGXWHOW-MRXNPFEDSA-N 483.616 1.021 30 10 JDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1nc(O)c2ccccc2n1 1690729018 DGEYLDBFVDGHTL-UHFFFAOYSA-N 485.570 1.287 30 10 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C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@H]1C 1722507317 HXPDEUIAGRKRFM-BDXSIMOUSA-N 471.649 1.534 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1722617617 LLTJMMWRIGCKJL-SIKLNZKXSA-N 479.578 1.814 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C(N)=O)C1 1722688674 IPHOZFFFOANLAG-LBPRGKRZSA-N 450.341 1.050 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC2(CCCC2)C1 1722693609 UZHZMWPSRCRWSJ-UHFFFAOYSA-N 488.614 1.647 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722696357 JXPWTITXVGTKJW-WIYYLYMNSA-N 481.601 1.245 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1722727208 JKYPSZGVHMEGCC-IBGZPJMESA-N 458.592 1.934 30 10 JDEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCN1CCCO 1727422449 AYRYHMGCZYIPHI-SFTDATJTSA-N 454.575 1.995 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(CC)CC)cc1 1740550227 ICZMBIRZXZUNGW-GHTZIAJQSA-N 474.631 1.963 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)NCC#C)CC1 1740590158 GDAGXDFRPAJBHB-FQEVSTJZSA-N 484.601 1.966 30 10 JDEE C#CCN(c1nnc(C(C)(C)C)n1CCCCN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1740616058 REXDANYWRSQOFM-HXUWFJFHSA-N 464.680 1.620 30 10 JDEE C#CCN(c1nnc(-c2ccccn2)n1CCCNC(=O)C1CCC1)[C@H]1CCS(=O)(=O)C1 1740620278 DBEBGQWRNAUPDE-SFHVURJKSA-N 456.572 1.273 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1740635610 XCRIAZOFHIBYPV-LJQANCHMSA-N 471.583 1.849 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCc1nc(C)cs1 1740640896 YRFCTWVYDHBNLK-SFHVURJKSA-N 476.628 1.472 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cc(C)nn1C 1740647805 VQLSBIJHVFRPDN-UHFFFAOYSA-N 465.583 1.749 30 10 JDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCOC[C@@H]1OC 1740684734 AFSKXJLCPHCKLX-RTWAWAEBSA-N 469.590 1.590 30 10 JDEE C=C(Br)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(=O)N1CCOCC1 1740739960 GKSWIEPKSIUSSC-UHFFFAOYSA-N 478.347 1.920 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1740953359 CTSBLSGGBVFZRF-GYCJOSAFSA-N 487.557 1.657 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](NC(=O)CC)C1 1740954729 FIZKUFOUVKLUKO-KRWDZBQOSA-N 456.547 1.760 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1740959225 OCGXIIQHCUPTPU-CZUORRHYSA-N 491.474 1.650 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1740986257 UPZSVYJAOBUYNL-FQEVSTJZSA-N 468.668 1.234 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1740990093 IHUWZVYPMWIBRH-MRXNPFEDSA-N 456.572 1.705 30 10 JDEE CC(C)OCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1741760500 AOURTILQIQXDOR-GOSISDBHSA-N 476.578 1.943 30 10 JDEE CCN1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)CC1 1746467283 DRYHDTBGOXSXAE-UHFFFAOYSA-N 459.620 1.325 30 10 JDEE C#CCN(c1nnc(C)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1748804181 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C=CCn1cc(C(=O)N2CCN(CC)CC2)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21 15951860 AFBWSLUGEQTDTC-UHFFFAOYSA-N 460.600 1.996 30 10 JDEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)CC1 32272569 NHFCCRUVNUOPSY-UHFFFAOYSA-N 460.531 1.687 30 10 JDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C#N)cc3F)CC2)c1 609253542 ANPAVPQTUVRKKQ-UHFFFAOYSA-N 462.503 1.931 30 10 JDEE C#CCN(C(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1)[C@H]1CCS(=O)(=O)C1 918755553 CVGYRJKDMYVWQO-KRWDZBQOSA-N 452.579 1.740 30 10 JDEE COCCn1cc(C=NNc2nc(SCC(=O)NCc3ccc(OC)c(OC)c3)n[nH]2)cn1 1084199951 DOWXKMDHONQGFW-UHFFFAOYSA-N 474.547 1.519 30 10 JDEE C#CCN(C(=O)C1CCN(S(N)(=O)=O)CC1)[C@@H]1CCOc2ccc(Br)cc21 1136805151 VCQGFFRENPSMBL-MRXNPFEDSA-N 456.362 1.650 30 10 JDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)s1 1137893817 GBPMQIURRDQTNI-LBPRGKRZSA-N 455.508 1.955 30 10 JDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)N3CCC[C@H](CO)C3)c2)c1 1137980211 KJPSVWVUYGOLSC-KRWDZBQOSA-N 455.536 1.695 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cc(C)no2)CC1 1286322902 HRQUCKWGEKBCPT-FQEVSTJZSA-N 491.618 1.033 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286393243 QIESSWSCTCOSJI-HXUWFJFHSA-N 471.627 1.852 30 10 JDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1286393604 FKBBZXUEZZQVKW-SJLPKXTDSA-N 450.536 1.905 30 10 JDEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1CCS(=O)(=O)N1CCSCC1 1286416835 SAQDORQXVKAAAR-UHFFFAOYSA-N 487.651 1.925 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC1(O)CCOCC1 1286421847 RZCTYPTVJBKACV-UHFFFAOYSA-N 456.568 1.743 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286458203 MOAROSHNZWORPS-QFIPXVFZSA-N 489.598 1.962 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCCC2)CCOCC1 1286461195 OSUIBBJYHBWQKT-UHFFFAOYSA-N 467.574 1.656 30 10 JDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1286461797 XXCGBBIKTPGQDN-QGZVFWFLSA-N 453.543 1.980 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCN2CC=CCC2)CC1 1286474057 YQJDIMMGDRMGRJ-UHFFFAOYSA-N 466.586 1.988 30 10 JDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccco2)C1 1286508893 KYYJZTZRIPATHE-ZWKOTPCHSA-N 481.600 1.148 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1286517242 FAEMTUJLBZOKRP-FGZHOGPDSA-N 460.556 1.504 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1286600932 QZSXLRZFVOLWAT-KRWDZBQOSA-N 496.659 1.813 30 10 JDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286740948 BYBJKYQJBFWAJY-OAQYLSRUSA-N 497.625 1.746 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1286767794 GNBYYZWNSJTUSE-MWTRTKDXSA-N 454.531 1.371 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1286790439 RYHGLZFWAXBHLZ-UHFFFAOYSA-N 460.608 1.520 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1286791106 MZYCKTNMWXMTAW-VQTJNVASSA-N 473.666 1.986 30 10 JDEE C=CCNC(=O)Cn1c(N(C)Cc2ccc3c(c2)OCCO3)nnc1[C@@]1(OCC)CCOC1 1286792720 GIIIBCCPNQLUQV-HSZRJFAPSA-N 457.531 1.640 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1286821057 ZGYCQXZGFNIZNW-FQEVSTJZSA-N 477.635 1.566 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COC)C1 1286832680 XJSLPKSQNOYFQT-IRXDYDNUSA-N 459.638 1.393 30 10 JDEE Cn1nccc1[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1298903856 CZBZFPYTKHQDCR-GOSISDBHSA-N 484.586 1.395 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1300272426 MGJMZDRBTUARTM-JYJNAYRXSA-N 456.613 1.896 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@H](C)N2CCOCC2)c1 1300334425 LVTYPKJLZLFKAO-ICSRJNTNSA-N 452.559 1.559 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO1 1300648212 AOJNFGZNLIAXPP-WOJBJXKFSA-N 477.562 1.569 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCOCCS(C)(=O)=O)CC1 1300718684 FDIHREOBXNVWOD-UHFFFAOYSA-N 473.599 1.281 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC2(C(=O)NCC)CCC2)CC1 1300723049 PGIWYFKZEYIJAL-UHFFFAOYSA-N 463.586 1.921 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCC(C)CC2)CC1 1301125659 PVAJAAKJXWQGOR-FQEVSTJZSA-N 466.652 1.745 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1301482844 DHWBXUONSRGAFC-LJQANCHMSA-N 497.600 1.847 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCN(C(C)=O)C[C@H]1C 1301592852 DXKNSFREJNFIKY-QGZVFWFLSA-N 477.587 1.524 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H](c1cccs1)N(C)C 1303822695 DUSRYDVCLGILGY-GOEBONIOSA-N 451.622 1.993 30 10 JDEE CN(C)C(=O)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1314634089 FDHUOSMHTOCOGG-WOJBJXKFSA-N 486.598 1.498 30 10 JDEE COc1ccc(CCc2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCS(C)(=O)=O)cc1 1315452685 FIHCZYLQTVYRGA-UHFFFAOYSA-N 495.609 1.710 30 10 JDEE COCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1315760216 BOWIRAKKXMYNNN-UHFFFAOYSA-N 452.563 1.780 30 10 JDEE C#CCN(CC#CC)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 1354491853 XXDGIBUJNSFNCS-UHFFFAOYSA-N 456.568 1.495 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)N1CCCC1 1358890086 KQRZUNCMZAOEKQ-BVSLBCMMSA-N 486.642 1.906 30 10 JDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1c(C)coc1C)[C@@H]1CCS(=O)(=O)C1 1358956147 BCLBHNZJFLUTNJ-GCJKJVERSA-N 462.572 1.815 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1358961106 RTJKXMJXSUKICF-FQEVSTJZSA-N 481.582 1.044 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1358965237 QNMKXBPJCSDAJF-UYAOXDASSA-N 459.591 1.977 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC2(S(C)(=O)=O)CC2)CC1 1359043000 CCVMFHFKGSBISZ-UHFFFAOYSA-N 471.583 1.497 30 10 JDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1359289215 LYFVPVNNAVMHFV-GOSISDBHSA-N 451.597 1.203 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1359293588 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C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1595530229 XKUYOGICGNVYRH-SFHVURJKSA-N 464.574 1.873 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2cccc(F)c2)C1 1595729139 JWMRBHNBQHJKAZ-PMACEKPBSA-N 495.577 1.610 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1595784915 NGNVMWRTSCRNMZ-NRFANRHFSA-N 469.615 1.990 30 10 JDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1595850182 JWMYGXIFBZJGEI-INIZCTEOSA-N 470.642 1.891 30 10 JDEE CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)cc2)CC1 1595935955 UJMHGWAEUDYFDO-UHFFFAOYSA-N 455.540 1.799 30 10 JDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1595967845 HQLQXURBZHCBMR-WOJBJXKFSA-N 485.614 1.403 30 10 JDEE CN(CCN1CCOC(C)(C)C1)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1618297812 CIRRAVVLLSRKEF-UHFFFAOYSA-N 484.601 1.817 30 10 JDEE COc1ccc(Br)c(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N2CCOCC2)c1 1619147545 ATUUXBWCMGVQRW-HNNXBMFYSA-N 491.346 1.304 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472.634 1.986 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCC(=O)N[C@H](C)CC)CC1 1507739194 AOLWLKKLGBLIIR-LJQANCHMSA-N 490.612 1.787 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC1CCOCC1 1507771844 DYSFQLNYMUNHDG-SIKLNZKXSA-N 465.620 1.810 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507798420 NXTWHWAGKLTITB-REWPJTCUSA-N 474.650 1.829 30 10 JDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCCC)CC1 1507805311 MOVUARRHUXOREV-WDSOQIARSA-N 482.651 1.612 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(=O)OC)C1 1507916870 VQFBHTZYBJCFTJ-HOTGVXAUSA-N 455.581 1.213 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc(-c2cnn(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1508024180 JWGLGSXDHDAWNA-UHFFFAOYSA-N 470.599 1.853 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccc2F)CC1 1508070578 AIWFHRBVNRYGDU-UHFFFAOYSA-N 464.505 1.693 30 10 JDEE Cc1cnn(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H](C)CS(C)(=O)=O)c1 1511418311 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C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCC3(CCCCC3)O2)CC1 1760253374 DRULRPBZYKTNEV-RTBURBONSA-N 464.636 1.525 30 10 JDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1760389746 SIUNLFOWMSXVSC-UFYCRDLUSA-N 482.651 1.267 30 10 JDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1760397275 PSTFGSIJYAQHIY-RTBURBONSA-N 467.684 1.564 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1760406552 HAQHFPKTJLAQNE-MSOLQXFVSA-N 454.641 1.649 30 10 JDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760431630 XDMCKBYCUZYGPU-QUCCMNQESA-N 466.590 1.880 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@](C)(OC)C1 1760521360 QQJZFZWLRJKRAC-DEOSSOPVSA-N 465.558 1.982 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC(S(=O)(=O)CC)CC1 1760556378 BODNQIFXSUQQKB-UHFFFAOYSA-N 487.673 1.638 30 10 JDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1766647031 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COc1ccccc1OCC#CCNC(=O)CCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C 1890221684 VFFJGJTYFQMXHT-LJQANCHMSA-N 459.568 1.999 30 10 JDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2255807951 BUPVNEIQCVFFGD-CYBMUJFWSA-N 453.370 1.496 30 10 JDEE COC(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256628377 HOLPKALKJHVINX-NSHDSACASA-N 456.374 1.516 30 10 JDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2266981144 ATRWLKVGYAXVER-UHFFFAOYSA-N 450.316 1.837 30 10 JDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)c1 2267014161 UYHWXSJSWQKWKK-CQSZACIVSA-N 450.341 1.610 30 10 JDEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267375638 JYSDBGPITSERDV-OAQYLSRUSA-N 470.397 1.540 30 10 JDEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCO1 2267467157 AOXMTFWFKSTNGX-CYBMUJFWSA-N 489.425 1.803 30 10 JDEE C[C@@H]1[C@@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267472928 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CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2282181254 CYDNSINNRTVKNA-MRXNPFEDSA-N 460.384 1.662 30 10 JDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H](O)CNC(=O)OC(C)(C)C 2282500137 IFUFUEVJXSPBTG-OAHLLOKOSA-N 486.396 1.158 30 10 JDEE Cn1nc(C(=O)NC23COC(CNC(=O)OC(C)(C)C)(C2)C3)cc1B1OC(C)(C)C(C)(C)O1 2282613202 KFKRCAXZPVGYFZ-UHFFFAOYSA-N 462.356 1.275 30 10 JDEE C[C@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282625669 YMBDNBAJKGUVOB-GXTWGEPZSA-N 456.274 1.695 30 10 JDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282845324 QKNVBPPPFUCLKB-JOCHJYFZSA-N 482.408 1.636 30 10 JDEE Cc1nc(NC(=O)[C@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2284018760 QTCJISXDDZWIQD-HOCLYGCPSA-N 462.356 1.953 30 10 JDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NCCN3CCCC3=O)C(=O)[C@@]12C 2297591192 BHRRFSPCTLTUPO-DEOSSOPVSA-N 454.479 1.781 30 10 JDEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NCc2ccccc2)ccc1O 2330794209 ZLISEVUQXQFTBA-UHFFFAOYSA-N 468.539 1.919 30 10 JDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)NC2CC(C)(C)NC(C)(C)C2)n[nH]1 1084439190 SJZMZXWJHRJXDP-UHFFFAOYSA-N 477.639 1.574 30 10 JDEE COc1cc(NC2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)cc(OC)c1 1149707580 FDZAIPJVWKWNHE-UHFFFAOYSA-N 458.540 1.957 30 10 JDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](Cc2ccccc2)N(C)C(=O)OC(C)(C)C)C1=O 1159684335 RHEDIZXHYBTFQQ-QGZVFWFLSA-N 458.515 1.558 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1c(C)nc2ccccc21 1286296441 ORMXJYSFEMLJOB-JXFKEZNVSA-N 471.587 1.427 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCCS2(=O)=O)c1 1286309927 PBDYSJVHEOYWDA-RTBURBONSA-N 484.582 1.253 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)cc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1286384271 HCFXMVAZCLFACQ-RBUKOAKNSA-N 493.655 1.489 30 10 JDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1286389540 MACOTRRIWFAEDT-KRWDZBQOSA-N 476.603 1.363 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1286431491 OIKFCKMQAOPZFA-RBUKOAKNSA-N 482.614 1.144 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](CC)OC)CC1 1286478461 AXAGJNVPRBHTRK-RBUKOAKNSA-N 462.595 1.767 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCS(=O)(=O)CC)CC1 1286490375 SEOWJXBCAOGLOS-UHFFFAOYSA-N 495.609 1.531 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(S(C)(=O)=O)CC1 1286518412 UEKDUFLXDHEHDD-OAQYLSRUSA-N 491.639 1.765 30 10 JDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286539294 YDGNTTNNMUAIMC-CYBMUJFWSA-N 453.341 1.601 30 10 JDEE C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286541117 HFDCFFKQFOFOQI-CVEARBPZSA-N 464.320 1.650 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1286788034 OSCIZGWFFQKHPJ-IAGOWNOFSA-N 475.571 1.149 30 10 JDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286791091 UCEVRRJRLLQIQH-IBGZPJMESA-N 465.558 1.228 30 10 JDEE C=CCNC(=O)Cn1c(N2CCO[C@]3(CCO[C@@H]3C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286793969 QZOOYWWTUCURLI-SVHPSLOZSA-N 490.605 1.735 30 10 JDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](CC)C1 1286831762 KWMIFTCYFXMWEB-BBWFWOEESA-N 459.638 1.534 30 10 JDEE CC(=O)N1CCN(CCn2c(Cc3csc(C)n3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1286889406 FZQMWQOYFAYONB-JOCHJYFZSA-N 456.620 1.928 30 10 JDEE CCN1CCN(CCCn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1296205902 FTHDHAQUWSDFLH-FQEVSTJZSA-N 469.590 1.719 30 10 JDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnn(C)c1 1297667346 FSXCQGSLGDONQP-INIZCTEOSA-N 457.560 1.770 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccn(C)n2)c1 1300334735 RRWSBEAWNMTDOQ-QGZVFWFLSA-N 467.555 1.018 30 10 JDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1300481869 CCEUWOGWTMPKNR-YZUZCNPQSA-N 493.674 1.820 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300495403 HBDSOYTVYLDAOK-RBUKOAKNSA-N 466.629 1.697 30 10 JDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccccc1CN1CC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1300495910 KSSCMXPEKJFSQC-GOTSBHOMSA-N 485.654 1.718 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)c(OC)c1 1300538173 OFYZKHKWKRLGOE-LJQANCHMSA-N 477.974 1.394 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(=O)NC(C)C)CC1 1300718888 IBUKCULUAFFXGV-UHFFFAOYSA-N 452.515 1.164 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1301498974 VTJXLRILLZSJPI-INIZCTEOSA-N 461.567 1.367 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1301519648 RRMBDJGEYYYHEU-UHFFFAOYSA-N 478.644 1.653 30 10 JDEE CN(C)C(=O)c1cccc(CCn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)c1 1314625158 BIZZHCGBJQJJIB-QHCPKHFHSA-N 453.522 1.901 30 10 JDEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 1358957412 UFONFOINOIRYED-QWHCGFSZSA-N 492.048 1.278 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358957604 WWYMKOKJRIBXTE-AUSIDOKSSA-N 479.647 1.431 30 10 JDEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1358959403 IGVLJTUZJDDCPR-QGZVFWFLSA-N 452.540 1.256 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CCOc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1358960633 IRNYVSWTMLWOBU-OAHLLOKOSA-N 474.493 1.719 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(F)(F)CC1 1358979463 NJEGSMNYVPLUNA-QGZVFWFLSA-N 455.531 1.509 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC=CO2)CC1 1359042189 WDKSCMUYIHEFTJ-RDPSFJRHSA-N 457.575 1.977 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2c(CC)nn(C)c2OC)CC1 1359044369 DHSFRUWMQJAHSL-QGZVFWFLSA-N 455.563 1.101 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1359047731 QZLZYRULVDFQSH-FQRUVTKNSA-N 481.597 1.980 30 10 JDEE C=C(Br)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](C(N)=O)C1 1359081405 AEFHVGCOJRYMON-ZDUSSCGKSA-N 482.408 1.849 30 10 JDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNc1nccc(C(F)(F)F)n1 1359240266 KBMXVYWHKZSPQS-ZDUSSCGKSA-N 490.512 1.154 30 10 JDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1359280782 DPTDFSQSHLQDLM-INIZCTEOSA-N 472.571 1.266 30 10 JDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1359305706 KVFBCBWNNPLADJ-GOEBONIOSA-N 459.528 1.995 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1359331117 NTPLMJGNDXZIFM-SFHVURJKSA-N 476.525 1.809 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(CC(=O)N(C)C)CC1 1359331922 KPBCBSUQIMMNPA-SFHVURJKSA-N 453.609 1.468 30 10 JDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 1360346496 JMOOJYPSZOCAJP-SFHVURJKSA-N 452.349 1.970 30 10 JDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1501434135 BZAIDODERZVHAR-NRFANRHFSA-N 478.557 1.617 30 10 JDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1507641024 XUTPYEXWUMVTJU-SFHVURJKSA-N 454.556 1.044 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2C)CC1 1507710031 BLWORZQTVSYBRE-NRFANRHFSA-N 487.626 1.737 30 10 JDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1507722398 VWEWRUPXAKYULT-UHFFFAOYSA-N 450.634 1.679 30 10 JDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1507750755 DMEHLWDGCMIPFS-LJQANCHMSA-N 471.631 1.918 30 10 JDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1507757217 VMERPFGHJBZLQU-UHFFFAOYSA-N 461.599 1.871 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507808869 VMCTUPYFCAWQAH-KURKYZTESA-N 476.578 1.504 30 10 JDEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1507842902 FFMQBYOAEFRVRH-UHFFFAOYSA-N 463.608 1.691 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(-c3nc[nH]n3)cc2)C1 1508108953 JUHQBJGMIZCBLQ-YJBOKZPZSA-N 472.575 1.503 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)OCCCO3)C1 1508110864 UYUAOFYQUALPDW-WMZOPIPTSA-N 477.587 1.879 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(C)CN(C)C2=O)C1 1508122198 CUBXSYMDEHDOGJ-QZTZHPFYSA-N 490.605 1.846 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1508132505 YZGWDOIUUYZZAJ-QGZVFWFLSA-N 490.586 1.301 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1508137644 OVMXWYQONGDTSL-GOSISDBHSA-N 459.576 1.593 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCN(CC(F)(F)F)CC1 1508144508 FEWMSXNQCVCLBM-OAHLLOKOSA-N 451.515 1.457 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1508146298 WLXUKCVVPPDFHN-MOPGFXCFSA-N 496.630 1.989 30 10 JDEE C#CCCCn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1[C@]1(OCC)CCOC1 1539139150 BZELAMNAUCCLBK-QHCPKHFHSA-N 452.563 1.584 30 10 JDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OCCCC 1539178268 GFKYMMMACKZMLQ-GOSISDBHSA-N 462.576 1.303 30 10 JDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1539206394 OMIDUTGYOKOTAE-MRXNPFEDSA-N 491.620 1.480 30 10 JDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1539206665 UFLZPPHGPZCDFO-NJYVYQBISA-N 458.584 1.862 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1539211236 JMYSTGZQCSJMSL-INIZCTEOSA-N 461.563 1.873 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1539211808 KZUDWKMVTBFOPD-KRWDZBQOSA-N 453.553 1.652 30 10 JDEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1539231220 UBLDHEDZRPZFGW-SFHVURJKSA-N 470.555 1.274 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCNC(=O)c1cc[nH]n1 1539301096 KVAQMTFHZVJMLU-UHFFFAOYSA-N 469.347 1.662 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1Cl 1539325811 OBLBRTUUKOUBDA-FQEVSTJZSA-N 476.002 1.970 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C(F)(F)C12CCC2 1539326076 RIJFNOLGEWPBPY-DLBZAZTESA-N 467.542 1.509 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1C[C@]1(O)CCS(=O)(=O)C1 1539389689 AKHOVKPXZKATFX-JOCHJYFZSA-N 455.515 1.669 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1539416132 KGBOPNANNOKMPH-HMXCVIKNSA-N 491.589 1.955 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[C@H]2C)CC1 1539468794 ITQXEJULZYCKJD-SOLBZPMBSA-N 450.609 1.290 30 10 JDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCC2=O)C1)c1ccccc1 1539764951 BNHJKEHMDGTLQX-IEBWSBKVSA-N 458.588 1.803 30 10 JDEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1540029070 XSBDCVSSTIDSFM-UHFFFAOYSA-N 466.546 1.004 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1540864731 JDNZIGJDBDEPIP-ZHRRBRCNSA-N 456.503 1.930 30 10 JDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1540898112 ZSTIUNFXCZXXNQ-UHFFFAOYSA-N 476.603 1.768 30 10 JDEE C=CCS(=O)(=O)CCn1c(N2CCc3c(ccnc3N(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1540908504 IFNRTEHNLUPKEU-HSZRJFAPSA-N 490.630 1.555 30 10 JDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CC1 1545712836 HPSLDVNUTBLPSN-INIZCTEOSA-N 488.543 1.235 30 10 JDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)CC1 1552738437 DJDLSCYTXONPQG-UHFFFAOYSA-N 478.601 1.430 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1CCNS(=O)(=O)Cc1ccon1 1588117665 MKPJFMLSGTZKNS-UHFFFAOYSA-N 458.931 1.779 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)Cc1ccc(F)cc1 1588229473 XJPBRUPYJXTWTE-HXUWFJFHSA-N 457.575 1.914 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCNS(C)(=O)=O 1588258738 IETCEMKMXCARSC-SFHVURJKSA-N 478.619 1.752 30 10 JDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCOC[C@@H]1C 1588433342 OROPALLXOJJHPJ-QHCPKHFHSA-N 465.646 1.823 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(=O)NCC(F)F)CC1 1588877313 ZDBAPOCAACTCEV-INIZCTEOSA-N 481.548 1.487 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1588898972 JFMOTOUHXIMHOI-QFIPXVFZSA-N 492.001 1.114 30 10 JDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1593636354 IXYSUFRBKLMZEB-ULQDDVLXSA-N 484.623 1.537 30 10 JDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1594004116 UHDHEMRHBMJRBI-RDJZCZTQSA-N 486.982 1.395 30 10 JDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1594569153 ZUWGLJICDLCFBO-UHFFFAOYSA-N 480.573 1.553 30 10 JDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1595334621 BXWWVTSQRUPVJE-UHFFFAOYSA-N 467.617 1.785 30 10 JDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1595405228 FVRZEMNBIQSIJB-IBGZPJMESA-N 480.566 1.271 30 10 JDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)CC(N)=O 1595544620 KVQCIQFKYQVIBH-HNNXBMFYSA-N 463.583 1.395 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC=C(C)C1 1595788567 CZCNXLICYNSHAR-UHFFFAOYSA-N 454.556 1.949 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)C2CCCC2)CC1 1615937663 CPEFLBVBZOUUPV-UHFFFAOYSA-N 464.618 1.949 30 10 JDEE C=CCC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1635343027 LIWOOFWWPNJPDS-LLVKDONJSA-N 452.314 1.598 30 10 JDEE C#CC[C@H](CCOC)NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 1641836366 BRHAYAIIDLVROO-CQSZACIVSA-N 450.451 1.588 30 10 JDEE COc1ccc(S(=O)(=O)N2CCCN(C[C@H](O)COc3ccc(CC#N)cc3)CC2)cc1 1657884051 BRWZZYFKHNKDEQ-FQEVSTJZSA-N 459.568 1.898 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)CC1 1661210746 FMDVQZGZDJGYMC-CQSZACIVSA-N 456.849 1.877 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1689848327 SNXRMCXBVPTGGE-MRXNPFEDSA-N 473.541 1.847 30 10 JDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cc(F)ccc1OC)[C@H]1CCS(=O)(=O)C1 1689988658 TUZPTRQKUKALFS-SFHVURJKSA-N 458.519 1.501 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCSCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689989139 BFWGQKXRWQVXLC-ZIAGYGMSSA-N 452.524 1.704 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1689991210 YJFVCFJSXBZNSK-PMACEKPBSA-N 471.583 1.488 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCNC(=O)OC(C)(C)C 1690047568 UKJMGWPXPHYQBA-GOSISDBHSA-N 463.604 1.948 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1690112063 OYOBUSUQGNHANG-NJYVYQBISA-N 462.639 1.645 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCNC(=O)c2ccccc2F)CC1 1690113445 JVNPUMAVRMYKBJ-XMMPIXPASA-N 470.549 1.255 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C(N)=O)nc2)CC1 1690144090 LNRBVOFKFLFBSE-UHFFFAOYSA-N 458.526 1.157 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690663094 LUJJARJCJWLMBM-LLVKDONJSA-N 474.406 1.695 30 10 JDEE C=CCNC(=O)Cn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690676887 HSHXUAOELANFDK-WOVMCDHWSA-N 498.588 1.007 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1690723851 BZYHIDWURUSOTK-IAGOWNOFSA-N 450.565 1.848 30 10 JDEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CC1 1696454445 HRVQJHNPLKNJBS-UHFFFAOYSA-N 456.572 1.746 30 10 JDEE CN(C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccn(C)n2)C1)S(C)(=O)=O 1696752572 BWARARDQATWQPW-IBGZPJMESA-N 482.614 1.901 30 10 JDEE COC1(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1697221502 HYBWNNTWUASTIG-YLJYHZDGSA-N 466.608 1.700 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705560666 JDPYHSNOHVFCMF-MJGOQNOKSA-N 471.583 1.495 30 10 JDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705562751 JFMRPPXLTVOOHQ-NFBKMPQASA-N 496.637 1.944 30 10 JDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1705565565 VSYPCKRJEKQLFX-IRXDYDNUSA-N 480.587 1.536 30 10 JDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1705725820 TZYJICZDPCGBKB-HNNXBMFYSA-N 460.560 1.298 30 10 JDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccccc1OC 1705754774 FXCRXXYRAQVMAD-GOSISDBHSA-N 485.994 1.887 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 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C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1722726277 AXMYLCYOXWOKLH-KDURUIRLSA-N 450.653 1.751 30 10 JDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)CC1 1729216201 AUBHUSJAZWVAIN-UHFFFAOYSA-N 459.576 1.203 30 10 JDEE CN(C)S(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(CCC#N)CC1CC1 1729344208 ARPMKFVPJTUMHV-IBGZPJMESA-N 460.560 1.812 30 10 JDEE COC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)OC 1730470830 HFFCNGMQHHKYMD-RXVVDRJESA-N 489.598 1.761 30 10 JDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1740571551 PWNAXYKAUXRZHE-UHFFFAOYSA-N 463.542 1.291 30 10 JDEE C#CCCCn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740596692 JSTCWGXUOGCCTP-XMMPIXPASA-N 472.590 1.003 30 10 JDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)N1CCN(c2ccccc2)CC1 1740613010 QGGOLMNJQYZSTQ-UHFFFAOYSA-N 477.594 1.688 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccn2)CCC1 1740655869 FRUFXZCGCVGKHW-HXUWFJFHSA-N 482.610 1.591 30 10 JDEE 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451.545 1.661 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCc2ccccc2C1 1286295339 IJYZRUZBWBBYTM-GHTZIAJQSA-N 472.615 1.127 30 10 JDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286389158 GQIUVKACMNEORE-GOSISDBHSA-N 458.588 1.438 30 10 JDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)CN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1286390486 BCRXNPSOIYWHSC-PZJWPPBQSA-N 462.664 1.131 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286391565 DYAOVFAZURDBQL-LSDHHAIUSA-N 450.483 1.725 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(NC(C)=O)nc1 1286401620 PKBWXULETBUHTA-UHFFFAOYSA-N 462.535 1.823 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC(=O)NCC=C)CC1 1286491572 YDLCHSOWVVMJQV-UHFFFAOYSA-N 450.543 1.146 30 10 JDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1286499832 LHUKLMZKDBLDJW-HDICACEKSA-N 463.585 1.123 30 10 JDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286530368 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C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1359029561 AVCZJYYLHBKBLX-LJQANCHMSA-N 469.590 1.899 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cc(OC)ccc2OC)CC1 1359041919 MEGYYVHMLDOEMR-AREMUKBSSA-N 497.596 1.962 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1359046956 LYIHRBWYNBRHRL-VWLOTQADSA-N 475.553 1.173 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(F)F)CC1 1359294152 LZPSPPQJXFIXSY-UHFFFAOYSA-N 468.530 1.038 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359296222 BBUSMGRZGIUIKB-UHFFFAOYSA-N 475.509 1.799 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCNS(=O)(=O)CC)C1 1359313291 JUGCYQONEUFOQE-OAHLLOKOSA-N 487.424 1.767 30 10 JDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(C)cc(OC)c2)C1 1359322635 ZMBTUDDDLQEFTJ-FPOVZHCZSA-N 491.614 1.758 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)CC[C@H]2C1 1359334154 VMBWBDDIHVTBKU-HNNXBMFYSA-N 465.526 1.559 30 10 JDEE 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473.603 1.115 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCN1CCC[C@H]1CO)[C@H]1CCS(=O)(=O)C1 1588055000 RGHFXMLSFIAOTD-ACRUOGEOSA-N 479.647 1.383 30 10 JDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 1588055496 WOFLAXJMFVAVNH-MOPGFXCFSA-N 457.556 1.051 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN2Cc2ccccc2)CC1 1588741901 KFDKGORZLGGCMX-RBBKRZOGSA-N 485.658 1.308 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCc2cnn(C)n2)CC1 1588947746 VSRMWGUZQDXWDS-UHFFFAOYSA-N 482.539 1.874 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1588962177 XRAWYHMTGFFKFB-FGZHOGPDSA-N 496.660 1.605 30 10 JDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1589088756 HPKVTYBWARTUKS-UHFFFAOYSA-N 468.674 1.860 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(S(N)(=O)=O)cc1 1589216874 ZKBACJZKIQMLNP-LAUBAEHRSA-N 477.612 1.062 30 10 JDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1595467457 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CC#CC[C@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 1640795104 WVYSJDQXOISFNG-HXUWFJFHSA-N 459.543 1.841 30 10 JDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCNS(C)(=O)=O 1689862983 KSYRTAINQSTQAU-CYBMUJFWSA-N 456.366 1.627 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@@H]2CCC[C@@H]2N2CCCS2(=O)=O)c1 1689868429 GPPJOOLPODNHDS-FPOVZHCZSA-N 470.599 1.847 30 10 JDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)N(CC)CC 1689965697 BIKFYJAQKQJAJZ-SFTDATJTSA-N 474.631 1.764 30 10 JDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1689973505 FQFRNNYTSZUDKH-MRXNPFEDSA-N 470.521 1.992 30 10 JDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689977854 FJLAKSAHUTWKKD-OALUTQOASA-N 485.614 1.284 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1689978015 JVQGQCCBWBDRHQ-AZUAARDMSA-N 492.646 1.082 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1689986177 KIUDGCGQGKBYGQ-MRXNPFEDSA-N 458.519 1.523 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689987685 APKJMCNSVMSJMW-HKUYNNGSSA-N 471.612 1.726 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCSCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689989137 BFWGQKXRWQVXLC-KGLIPLIRSA-N 452.524 1.704 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCC(=O)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689990963 UAXIAHQNQHGYCI-RBUKOAKNSA-N 465.620 1.447 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689993913 NMMBMWNETANJFH-GOSISDBHSA-N 458.588 1.053 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCc2ccccc2C1 1690103454 CWUHGGHEZPHLSO-KNQAVFIVSA-N 471.627 1.713 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)n1 1690109175 JDGCBHPSAPQIAM-UQBPGWFLSA-N 475.553 1.839 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2oc(CCC)nc2C)CC1 1690137400 XNELMLNUESKQLF-INIZCTEOSA-N 491.618 1.151 30 10 JDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1690159869 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C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1705558858 KIPMLFLPLJOLIR-GOSISDBHSA-N 492.001 1.873 30 10 JDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(C[S@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1705569925 LIHHHGCOBYCMAB-NBLPZQPVSA-N 497.646 1.817 30 10 JDEE C#CCN(c1nnc(CC2CCCC2)n1CCS(=O)(=O)CC=C)[C@H]1CCS(=O)(=O)C1 1705570757 UBUVRIQIUOZGCA-SFHVURJKSA-N 454.618 1.238 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1n[nH]c(C)n1 1705583225 SOMOOPZCLFVVLD-QGZVFWFLSA-N 454.535 1.329 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CCC(C)C 1705598647 NUBCCYYARSKRON-KNQAVFIVSA-N 465.620 1.261 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1ccnn1 1705619952 HQGZVMAHCXXLRZ-SFHVURJKSA-N 457.535 1.641 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(=O)N[C@H](C)CC)c2)CC1 1705638295 FYRCHMSEJPSDGW-WIYYLYMNSA-N 463.586 1.561 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCNS(=O)(=O)c1ccc(C)s1 1705666614 CLINWPFWHRQWOH-OAQYLSRUSA-N 476.628 1.855 30 10 JDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CN1CCCC1)C1CC1 1705854813 OPKTZBIAMZTPSI-PKOBYXMFSA-N 452.625 1.498 30 10 JDEE CCN1CCN([C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NCC(F)F)C2)CC1 1710289277 GPEBGMOOBYQYDU-IBGZPJMESA-N 472.544 1.414 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cc(OC)ccc1OC 1722297373 ZGDSGTHPIUSLLS-UWJYYQICSA-N 491.614 1.719 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1722360134 ZEPIIDDPZNPVOD-WOJBJXKFSA-N 478.663 1.698 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(C(C)(C)O)c1)[C@H]1CCS(=O)(=O)C1 1722360440 HRDRSLYONKQCDR-IBGZPJMESA-N 466.567 1.638 30 10 JDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1722363223 DSUOWWAHUGIZSB-GOEBONIOSA-N 499.515 1.565 30 10 JDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(C)(C)O)c1)[C@@H]1CCS(=O)(=O)C1 1722366590 IDLFMPULGZIKEX-RTBURBONSA-N 471.583 1.132 30 10 JDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1csc([C@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 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C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1COC)[C@H]1CCS(=O)(=O)C1 1740625620 GYFCECKLMFHFPQ-RTWAWAEBSA-N 458.584 1.994 30 10 JDEE C#CCN(c1nnc(COCC)n1C[C@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1740627575 ITNHJCUWYHCYEH-RXVVDRJESA-N 450.536 1.488 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1740656185 HXAMJIHXBQQHBG-ACRUOGEOSA-N 491.658 1.915 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1740687894 NTCQAJWMHVJDNB-IPMKNSEASA-N 451.593 1.420 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCS(=O)(=O)CC=C)CC1 1740693263 VYORCHCOUIUBKJ-UHFFFAOYSA-N 481.420 1.402 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2ccccc2F)CC1 1740696524 WELSRIZHBIZHAP-NRFANRHFSA-N 490.605 1.138 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCN2CCCC2)CC1 1740697350 BGAFIPZBVOUPCY-UHFFFAOYSA-N 454.575 1.822 30 10 JDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 1740782741 MYYGKPCWXCDAHH-OAQYLSRUSA-N 485.614 1.775 30 10 JDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1740788784 XDCKBQGCHHXRDV-INIZCTEOSA-N 483.664 1.881 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1740960731 YWOWMHZJRKEQFP-CQSZACIVSA-N 467.983 1.174 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)CC[C@H]2C1 1740994993 ZPINWBBHEDWNJX-KRWDZBQOSA-N 475.571 1.278 30 10 JDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1748751345 GIBVSIBFFNSIOF-ZWKOTPCHSA-N 493.659 1.364 30 10 JDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1748855681 GZFNUIDZQNVVPO-UHFFFAOYSA-N 484.607 1.180 30 10 JDEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CCNS(C)(=O)=O 1748937434 KMOSNJFZTXTPSM-UHFFFAOYSA-N 456.366 1.628 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCS(=O)(=O)C1 1748948560 RFQLPSBRAFPCEV-LEDOBFOHSA-N 492.573 1.331 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(OCC(N)=O)CC1 1749020219 OSSPKMIEYDSMRW-UHFFFAOYSA-N 470.599 1.984 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)CC1 1749131006 PHKYVUDMUMMVPL-NJYVYQBISA-N 496.678 1.370 30 10 JDEE C=C(Cl)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1749252729 FXQZWCLFGOCBFD-CQSZACIVSA-N 467.983 1.250 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1749457979 UFZGUZDEUKVHDP-LSDHHAIUSA-N 479.525 1.278 30 10 JDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCOCC1 1749591464 RTYZAGCFURWKJO-MOPGFXCFSA-N 463.604 1.729 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1749659127 VPXBVUHAAWLTKD-QGZVFWFLSA-N 468.525 1.496 30 10 JDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1749677788 KRSGQRJIKKIKCW-QHCPKHFHSA-N 484.557 1.809 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1749682951 DQRCXHWPHPODSW-ZOBUZTSGSA-N 460.501 1.377 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1749727130 NOECKJVAVXSVAO-CQSZACIVSA-N 452.924 1.235 30 10 JDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(=O)(=O)CC1CC1 1760111613 PQNXGBBSJBMPLY-HNNXBMFYSA-N 464.617 1.521 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCSC2)c1 1760126802 JGNYLYALFJVLLR-HSZRJFAPSA-N 468.583 1.438 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCC(=O)N2CCCCC2)c1 1760127632 GVNPFCCUPDZMTF-UHFFFAOYSA-N 491.596 1.859 30 10 JDEE C#CCN(c1nnc(CC(C)(C)C)n1CCS(=O)(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760186017 IXCPHZQBFVXRTH-MRXNPFEDSA-N 458.650 1.707 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cnc2ccccc21 1760206320 WJWXWJAKPNNFNI-NRFANRHFSA-N 481.582 1.124 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(C)CCCS2)n1 1760252145 JWBGEIBSNUKZHQ-XMSQKQJNSA-N 457.604 1.998 30 10 JDEE C#CCN(CCOC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760253690 UTMWYIHEOOGLMT-DEOSSOPVSA-N 490.626 1.790 30 10 JDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1760263305 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COc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)c1 1870155304 GLLPNLBXEZDHPO-UHFFFAOYSA-N 461.394 1.599 30 10 JDEE C=CCn1cc(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)c(=O)cc1CN(C)CCCC 1870429037 UJWUCMAYOVJSQL-UHFFFAOYSA-N 453.547 1.760 30 10 JDEE Cc1ccccc1N1C[C@@H](C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)CC1=O 1889423152 KOYLDYOFQGFYFO-QFIPXVFZSA-N 452.599 1.606 30 10 JDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)CC2)CC1 1890780855 GMQKFTFPZHVLGH-JOCHJYFZSA-N 494.702 1.228 30 10 JDEE C#CCNC(=O)C[S@](=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990669895 XBVQBGIWKTZCAO-GSTQUKTASA-N 468.531 1.867 30 10 JDEE CCn1cc(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2247837627 VNCKDAFEKOYRBU-UHFFFAOYSA-N 454.336 1.953 30 10 JDEE COC1CC(NC(=O)OC(C)(C)C)(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256668995 JCNSWRKBWLDQTC-UHFFFAOYSA-N 454.358 1.270 30 10 JDEE CC(C)(C)OC(=O)NC(CO)(CO)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2258307217 UWNWVRBPVZGXOX-UHFFFAOYSA-N 456.370 1.025 30 10 JDEE C[C@@H](CCCNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267704977 CXVKXMFGBKXOOC-AWEZNQCLSA-N 472.417 1.691 30 10 JDEE Cc1cc(CNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2268621486 DWXYULIMJYTOKL-CQSZACIVSA-N 467.397 1.741 30 10 JDEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H]1CCOC1 2268716964 IDMUSPLHTAFURU-HIFRSBDPSA-N 467.397 1.988 30 10 JDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2271975149 LLDLQLACJPGOMD-KGLIPLIRSA-N 470.401 1.301 30 10 JDEE Cc1c(C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281798074 CXCKWXVRGCYZMG-ZDUSSCGKSA-N 458.290 1.558 30 10 JDEE Cc1c(C(=O)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281977589 RLTAPQDHCRMXHK-JOCHJYFZSA-N 464.372 1.129 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 2282177129 YAVQPHZBJDXSEY-QHCPKHFHSA-N 463.384 1.816 30 10 JDEE Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)c1 2282310995 BTHBWLWTJDMEEE-KGLIPLIRSA-N 474.310 1.830 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H](F)C[C@@H]1CNC(=O)OC(C)(C)C 2282341920 ZOQUJSCXIIPCEM-UONOGXRCSA-N 488.391 1.345 30 10 JDEE CC(C)(C)OC(=O)N1CCOC[C@@H](NS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282350960 UYBOJBFLIROBAD-INIZCTEOSA-N 482.408 1.900 30 10 JDEE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)COC1 2282413237 BHMAICIJUQTSCQ-UHFFFAOYSA-N 486.371 1.697 30 10 JDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1[C@H]2OCC[C@@H]2[C@H]1NC(=O)OC(C)(C)C 2282538826 LHFVVWJUHOPLPR-MMTVNHQJSA-N 462.356 1.130 30 10 JDEE Cn1nc(C(=O)N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282546135 KTMGEWXIJFSVEI-QWHCGFSZSA-N 484.790 1.473 30 10 JDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](NC(=O)C(F)(F)F)C[C@H]2C)n1 2282590166 XUQBMWGMLAKXTF-OLZOCXBDSA-N 458.290 1.874 30 10 JDEE COCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282612229 DGZQCAKMNORYKS-UHFFFAOYSA-N 462.356 1.578 30 10 JDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](NC(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2282673703 ZYKQMXFFAWYGBN-KURKYZTESA-N 459.352 1.745 30 10 JDEE CN(C[C@]1(O)CCCN(Cc2ccccc2)C1)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2286395422 BLWBLHNPEGATCO-XMMPIXPASA-N 454.380 1.808 30 10 JDEE COc1cc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc(OC)c1OC 2327842561 LVOHAQLMUAIVRZ-CQSZACIVSA-N 490.586 1.878 30 10 JDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2334274086 ZLFDFBBQTKBBPG-YUELXQCFSA-N 468.385 1.005 30 10 JDEE COC[C@@]1(C)C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2364200801 XVKSVZAMOYHWTF-JLCFBVMHSA-N 464.372 1.853 30 10 JDEE CCc1nn(C)c(C(=O)N[C@@H](CCO)COCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2369544366 ZCQHITGNEITBRI-SFHVURJKSA-N 457.380 1.979 30 10 JDEE COc1ccc(NC(=O)C(CO)(CO)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2370321039 UJUGDYZBNHMRQG-UHFFFAOYSA-N 466.340 1.181 30 10 JDEE Cc1ccc(S(=O)(=O)NCCN(C)C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)cc1 1137040223 FQZZHCWESAQJHG-UHFFFAOYSA-N 454.556 1.896 30 10 JDEE CCS(=O)(=O)CCn1cc(C)c(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 1204385135 ABDXNURZCRTSPW-GOSISDBHSA-N 458.544 1.815 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCN2CCCO)c1 1286309267 JBEKRJWTGWJJKY-JOCHJYFZSA-N 476.585 1.582 30 10 JDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286383422 MNYWABWFNFDCMP-HYBUGGRVSA-N 493.674 1.821 30 10 JDEE C#CCN(c1nnc(-c2cnccn2)n1CC(=O)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286389457 KHPAKQSYDVMMDT-LJQANCHMSA-N 479.566 1.020 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC2CCOCC2)c1 1286420103 LNFWOFRAMSFLFW-SFHVURJKSA-N 486.598 1.352 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2ccsc2)CC1 1286494508 UWFJQSUNEZJQJL-HTAPYJJXSA-N 491.639 1.115 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1286516327 GCSROYKUPMQHQT-LBUQITIBSA-N 476.578 1.364 30 10 JDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1286604918 DSUARLDOEROZJL-IBGZPJMESA-N 476.603 1.564 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1286787757 ZTQGOORVYCXFCD-QGZVFWFLSA-N 492.584 1.237 30 10 JDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1286790430 FBSABOLXIKCGQJ-GOSISDBHSA-N 452.625 1.610 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1286792208 QUPDSYPYJJENJF-JOCHJYFZSA-N 490.568 1.750 30 10 JDEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CC(=O)N(C)C[C@H]1C 1286821811 AYDJJWQJVAHROB-QGZVFWFLSA-N 456.572 1.549 30 10 JDEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1300483595 MATQEEDGCLEKOO-IBGZPJMESA-N 457.600 1.958 30 10 JDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1300488685 GETDIFKPXPHKDL-MSOLQXFVSA-N 479.990 1.816 30 10 JDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](C)N1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1300502325 RXFUWEAZFSNZHB-UPVQGACJSA-N 498.697 1.716 30 10 JDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1300706911 ULSRYUNVENBBBR-WCWDXBQESA-N 459.554 1.345 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300892203 QFUKEGYFFXLVOK-XXBNENTESA-N 473.622 1.028 30 10 JDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(OCC(N)=O)c2)CC1 1301106880 XTMDTAJAHIKYKT-HNNXBMFYSA-N 462.576 1.203 30 10 JDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)CC(F)(F)F)CC1 1301126620 XANNHBNHMHSMRB-INIZCTEOSA-N 480.557 1.508 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1301480675 CUIVOSBIZXYMMX-AZUAARDMSA-N 470.574 1.678 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2cscn2)CC1 1301520929 UBGMVLMHVCWFGO-LPHOPBHVSA-N 461.592 1.083 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1301588220 DGWWMLQFFPIGIA-FQEVSTJZSA-N 489.598 1.789 30 10 JDEE N#Cc1ccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2C[C@@H]2CCCCS2(=O)=O)cc1 1302989071 HPZFAWYLPAOYCJ-IBGZPJMESA-N 456.572 1.876 30 10 JDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1313557144 CLEXLVWTZIXOPE-SFHVURJKSA-N 467.574 1.900 30 10 JDEE COCCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1315949962 GOGHWNQPXXUHML-GOSISDBHSA-N 481.605 1.954 30 10 JDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCN3CCN(C(=O)C4CCCCC4)CC3)CC2=O)cc1 1353270673 GHZDPFCWCNYDSC-NRFANRHFSA-N 451.571 1.752 30 10 JDEE CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 1355277508 DXOOOXPPXSJMJO-HXUWFJFHSA-N 455.536 1.903 30 10 JDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1358964974 LKAOTYNEKRTVNZ-GOSISDBHSA-N 463.991 1.627 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1358967285 HIOWHKORDVHZIC-WDYCEAGBSA-N 479.628 1.696 30 10 JDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCNC(=O)[C@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 1358967981 WWPKHYBUZZQFEW-KZNAEPCWSA-N 451.593 1.309 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1359028079 GTOLWKXFSXAKDV-UHFFFAOYSA-N 489.621 1.245 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC[S@@](=O)CC)CC1 1359047900 XVRFVEDQLVHVHT-YTTGMZPUSA-N 457.600 1.900 30 10 JDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359051458 XJKZGFHGUDMMCB-UHFFFAOYSA-N 485.570 1.393 30 10 JDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1S(C)(=O)=O 1359241151 HDZKEVHQZRJXNL-SJORKVTESA-N 484.623 1.633 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359291873 DBPONYOJCOEHBR-DOTOQJQBSA-N 465.551 1.873 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(F)cc(F)c2C1 1359300906 MMAYTOAFONGGMZ-AWEZNQCLSA-N 451.499 1.323 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCOC1 1359301335 WXBOBZHQVPJKQT-DLBZAZTESA-N 464.567 1.361 30 10 JDEE COc1ccncc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1504455565 CSSQIKJYBSAVAI-LJQANCHMSA-N 468.539 1.804 30 10 JDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1504853742 ALQRVNHHMDNOLN-JOCHJYFZSA-N 464.574 1.805 30 10 JDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1507624505 ATBONNXRITZKCU-KRWDZBQOSA-N 466.585 1.015 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCCC(=O)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1507630862 JAXZYPDPVUNVTG-IBGZPJMESA-N 458.588 1.615 30 10 JDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1507639146 JNZLPUPJJBNGPJ-IBGZPJMESA-N 454.556 1.758 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)Oc2cccc(F)c2)CC1 1507722334 UUMZZLCQLXZYSG-IRXDYDNUSA-N 464.567 1.250 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)N(C)Cc2ccccc2)CC1 1507738794 YVFGAQAYOWFDDM-DENIHFKCSA-N 477.613 1.716 30 10 JDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C[C@@H]1CCOC1)C1CC1 1507783788 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C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1508095598 YPECZQDDFPMTNG-MOPGFXCFSA-N 452.559 1.969 30 10 JDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NCC)CC1 1508109883 WIDLNBIQNPJNLV-UHFFFAOYSA-N 467.574 1.865 30 10 JDEE Cc1cnn(C[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCS(C)(=O)=O)CCO2)c1 1511414585 DZLJKPCXXLBGRD-IBGZPJMESA-N 455.544 1.272 30 10 JDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCOCC1 1519129867 DUVLAXUOJJFAFZ-FQEVSTJZSA-N 481.601 1.759 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(CN2CCOCC2)c1 1538975312 ZJNQHGMAPGVGGE-QZTJIDSGSA-N 460.604 1.227 30 10 JDEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(CC(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1539203128 NYRFELYHJMPCPD-IAGOWNOFSA-N 471.649 1.341 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1539225342 NBIZXAOWPGOVBF-UYAOXDASSA-N 485.610 1.419 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1539315389 LEASLVZDRZVTFL-AVRWGWEMSA-N 460.538 1.678 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)c1cc[nH]n1 1539401166 VTLQDBPAMPEJAE-UHFFFAOYSA-N 461.324 1.275 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1539436092 IWLSREJYLZVXDQ-LJQANCHMSA-N 457.026 1.775 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1539489318 LCTQLOFJJSUTDS-UHFFFAOYSA-N 473.599 1.427 30 10 JDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1539759172 FDMWJAUIIIYFLM-SFTDATJTSA-N 477.606 1.670 30 10 JDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1539918038 ZRFPAOOMZUHVPU-ROUUACIJSA-N 495.650 1.254 30 10 JDEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1CCN1CCN(C(C)=O)CC1 1540181969 DMRWVPHMHJSVMB-UHFFFAOYSA-N 469.590 1.506 30 10 JDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1540854150 KUIKHPNXVBYFRQ-OAHLLOKOSA-N 452.606 1.746 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1540899829 BKBNXWLZAOMFAE-UHFFFAOYSA-N 484.600 1.188 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1Cc1ccccc1 1540905176 QUSUUSWUTCZMJA-WOJBJXKFSA-N 478.640 1.993 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccsc2)CC1 1540905625 ULDIXYDFYSZIAL-SFHVURJKSA-N 451.618 1.767 30 10 JDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCS2(=O)=O)C1 1541987831 GORSPKRQIUTWSF-FQEVSTJZSA-N 458.548 1.091 30 10 JDEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1546856512 CLODZQPREPKOHY-PXNSSMCTSA-N 464.574 1.925 30 10 JDEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1554149031 BCVIRSLMJYPZSO-LJQANCHMSA-N 494.581 1.857 30 10 JDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2OCC(F)(F)F)CCO1 1555992876 DAZBTERPONAEDD-CABCVRRESA-N 450.421 1.947 30 10 JDEE C=CCN1CC[C@H](N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)C1=O 1568184573 XMVNGQXTFXYTLT-WBVHZDCISA-N 455.964 1.656 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1F 1587639658 MNMYFWHFNZQOEO-FRQCXROJSA-N 465.551 1.676 30 10 JDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588041446 XGNYEZJPPXKUEU-AQOAWAETSA-N 460.556 1.120 30 10 JDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCNC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1588055292 VBTGDSGCFODNIF-IRXDYDNUSA-N 461.544 1.169 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CC(OCC)C1 1588193482 DZHXIYHGYSIEBW-UHFFFAOYSA-N 456.568 1.742 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc([C@H](C)O)cc2)CC1 1588923895 PKBMRDBQCZRZGA-JXFKEZNVSA-N 450.543 1.297 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccccc2)N(C)C)CC1 1588961539 CXXPGWMENLTTCT-QFIPXVFZSA-N 477.613 1.669 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2CCS(C)(=O)=O)CC1 1588961865 PEOWBEUJARGQEF-UHFFFAOYSA-N 468.583 1.292 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CCC 1589216497 QFSZCLLMMJPSKD-NNMXDRDESA-N 464.636 1.478 30 10 JDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOC)[C@@H](CC)C1 1589442900 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476.559 1.831 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C1CCCCC1 1358994876 YDTKNDDIQHVXHD-OAQYLSRUSA-N 476.647 1.338 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCC2(CCCCC2)O1 1359019055 JDGIGWNZDUMFJQ-QZTJIDSGSA-N 453.609 1.856 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2([S@@](C)=O)CCC2)CC1 1359041599 BYAQYYZZXUYFGQ-PBUKZNKTSA-N 491.658 1.586 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@]2(O)CCO[C@H]2C)CC1 1359047362 DEWCMFIIXNPXBP-AFMDSPMNSA-N 497.596 1.762 30 10 JDEE C#CCSCCn1c(N2CCC(S(=O)(=O)CC)CC2)nnc1[C@]1(OCC)CCOC1 1359062099 VZQFUVQXLGUWIF-FQEVSTJZSA-N 456.634 1.700 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cn3ccccc3n2)n1CCOCCS(C)(=O)=O 1359072199 SUXGJWXDAPAHLL-JOCHJYFZSA-N 456.572 1.570 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1359089435 IXOCRSFLUDKCCR-NSHGMRRFSA-N 473.622 1.187 30 10 JDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1359125426 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483.635 1.598 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749135941 JTJUTVKZXBQYNN-BWKNWUBXSA-N 493.612 1.920 30 10 JDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1749234525 GPADOOPEUSMLAA-FQEVSTJZSA-N 457.579 1.712 30 10 JDEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1749239600 MSKLIDTVRMYPAM-LJQANCHMSA-N 451.531 1.877 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1760186497 NYSUANCZHLXPAM-HXUWFJFHSA-N 453.572 1.486 30 10 JDEE C#CCN(c1nnc(-c2cccnc2)n1CCNC(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1760186985 BSWBSUTUCOQZDL-OAQYLSRUSA-N 478.578 1.705 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC)c(O)c1)[C@@H]1CCS(=O)(=O)C1 1760187370 JGNRFVJQMVXURJ-YLJYHZDGSA-N 460.556 1.909 30 10 JDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1760187890 YPMAJWNZGVAYTP-TZIWHRDSSA-N 490.651 1.629 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1760191178 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C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1CCCC 1286411201 ZVHDZSAFROAFRE-RTWAWAEBSA-N 476.647 1.338 30 10 JDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1286420021 KHMZRZKSOMKZOP-QYZOEREBSA-N 492.646 1.997 30 10 JDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[S@@](=O)C(C)(C)C 1286460650 ORHHBTZEQQRSOU-SSEXGKCCSA-N 466.629 1.982 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3F)n2C[C@H]2CCC(=O)N2)n1 1286470764 CVIGWWPSCOGODZ-QGZVFWFLSA-N 451.506 1.846 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC(=O)NC(C)C)CC1 1286472758 KKXGEECZCLUMPM-UHFFFAOYSA-N 462.396 1.716 30 10 JDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1286473576 TWTZQVIYLDFTHJ-RUZDIDTESA-N 488.633 1.941 30 10 JDEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286630175 QYDFIPNRQBJVDD-GJZGRUSLSA-N 475.999 1.962 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1286781695 XOGNHAWLTWAUAP-QGZVFWFLSA-N 457.554 1.994 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 1286786781 ZNMNGXGNFMOLQA-SJLPKXTDSA-N 453.547 1.187 30 10 JDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1286789658 INSIYSLWZIDWFT-CQSZACIVSA-N 489.627 1.781 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1286792196 QGVDKEDZWUIJGH-UHFFFAOYSA-N 470.484 1.554 30 10 JDEE CC(C)c1nc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cs1 1287169345 AEBOVENRTHMFAZ-ZBFHGGJFSA-N 450.590 1.732 30 10 JDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCn2cc(Cl)cn2)C1 1288976627 BHGXUWOQLMDGKY-VQIMIIECSA-N 482.998 1.291 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)c1 1291749199 PVCSSDVOJGCMMG-NRFANRHFSA-N 459.506 1.615 30 10 JDEE CCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1293104932 FZLHJOWSXFYRCP-JOCHJYFZSA-N 464.618 1.981 30 10 JDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(SC)CCOCC2)CC1 1296288136 IDYVEGFBWMAYIG-UHFFFAOYSA-N 483.642 1.987 30 10 JDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1300482335 FECPFYDQRYBQOR-ZWOKBUDYSA-N 488.557 1.370 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1Cl 1300672318 YMHWQOGEGIKXOF-HRAATJIYSA-N 466.991 1.827 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccnc2OCC)CC1 1300717103 YPIBHQGLELWKNM-VWLOTQADSA-N 482.585 1.738 30 10 JDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CNC(C)=O)CC1 1300754687 DZRSVTDNYFASSJ-UHFFFAOYSA-N 489.671 1.957 30 10 JDEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1300756451 NDLWXLAKNCDFOK-UHFFFAOYSA-N 465.583 1.710 30 10 JDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1300779251 SJHIRKJHNNZUDZ-SFTDATJTSA-N 473.647 1.814 30 10 JDEE C=CCN1C(=O)c2ccc(C(=O)N3CCOC[C@@]3(CO)CNC(=O)OC(C)(C)C)cc2C1=O 1300929828 AXCKHDLHZNIMGT-QHCPKHFHSA-N 459.499 1.197 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN2C(=O)NC3(CCCC3)C2=O)CC1 1301065190 BIOPBHPWBZQWHA-MRXNPFEDSA-N 479.607 1.299 30 10 JDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C(C)C)C1 1301257519 ANXMYRVYZBRWJD-MSOLQXFVSA-N 473.665 1.782 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1 1301520753 NVHVRXGIUMYERF-HOTGVXAUSA-N 461.567 1.354 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1301576033 PQVUFYACKMACOL-UHFFFAOYSA-N 488.614 1.892 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1301576710 ZAOSJXFQGUGPPW-UHFFFAOYSA-N 456.528 1.496 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1301577531 KXBBZWHJNOIEFC-SFHVURJKSA-N 460.604 1.930 30 10 JDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1301592851 DXKNSFREJNFIKY-KRWDZBQOSA-N 477.587 1.524 30 10 JDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@]1(N2CCOCC2)CCSC1 1301799316 CRFSNPQQFOZULA-JOCHJYFZSA-N 477.635 1.088 30 10 JDEE CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCOCC2)CC1 1302477161 DDEFTMXGCJPGOL-UHFFFAOYSA-N 460.560 1.237 30 10 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JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1359329015 VOGMCSDCMDRBBA-LJQANCHMSA-N 477.612 1.821 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1359331491 AXNUGBOWCQGWKW-UHFFFAOYSA-N 473.603 1.357 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1455114342 CLNJBZAUJBEKAW-ZWKOTPCHSA-N 456.609 1.272 30 10 JDEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 1463109332 IAUNWKKWUXMFLP-UHFFFAOYSA-N 457.471 1.815 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@](C)(NC(=O)OC(C)(C)C)c2ccccc2)CC1 1471450756 JFQFUPGKQMQBAE-OAQYLSRUSA-N 450.561 1.038 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(n1)CCCC2 1507536870 FOKNSARPMNXFDJ-OXQOHEQNSA-N 458.588 1.391 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(NC(C)=O)cc1 1507538579 NPIVEXLXZLMITD-OXQOHEQNSA-N 474.587 1.270 30 10 JDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1507591027 IFJQTXORIUFFBJ-GOSISDBHSA-N 479.628 1.317 30 10 JDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507605484 UZZHTTYFYZRFDE-DXIQSLLYSA-N 465.620 1.592 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOCC(F)(F)C(F)F)[C@@H]1CCS(=O)(=O)C1 1507622641 KDAUIMFCIRIBEP-CQSZACIVSA-N 495.499 1.058 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1507623085 QTIFSGVKBYTNMR-MRXNPFEDSA-N 490.552 1.025 30 10 JDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1507623512 YGHDMRODWPCBFA-ZWKOTPCHSA-N 489.598 1.519 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1507633065 RHAXEIVZAAUANW-WOJBJXKFSA-N 490.651 1.666 30 10 JDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507640631 UUHJQBARTPFPBU-IEGUWTFLSA-N 490.582 1.032 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CCC[C@@H]1NC(=O)NC1=O 1507644617 LRDOLOSIFWHCSR-INIZCTEOSA-N 473.306 1.908 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc(C)cn1 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CC(C)(C)NC(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C#N)C1 1508622363 DWSIHJJUTMYXPS-JOCHJYFZSA-N 494.644 1.676 30 10 JDEE Cc1nccnc1CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1511621795 DLSWPQUEEOCPFZ-UHFFFAOYSA-N 460.546 1.351 30 10 JDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)C1 1519507631 DUJCKLVALCNFKK-KRWDZBQOSA-N 463.585 1.407 30 10 JDEE C=C[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1I 1533711204 AABDLVPZDIJWIM-LLVKDONJSA-N 450.298 1.616 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ncnn2C(C)(C)C)c1 1539043417 QHDGLHAQKMXHMM-SFHVURJKSA-N 475.557 1.680 30 10 JDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1539219291 BRXNQNMNCFUYDA-FPOVZHCZSA-N 457.600 1.913 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1539368730 BHBYMJAQSFRLLB-ZWKOTPCHSA-N 496.634 1.470 30 10 JDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1539430023 FUMRJYLPGCJFGE-VWLOTQADSA-N 485.585 1.760 30 10 JDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCN2CCOCC2)CC1 1539459959 SOQHANUCGVFABJ-UHFFFAOYSA-N 452.603 1.951 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@]2(O)CCOC2)CC1 1539474023 HEGHOGDSMRDVJT-VWLOTQADSA-N 483.569 1.470 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1539482290 SFOZZKCYOJZOLG-OALUTQOASA-N 463.604 1.453 30 10 JDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1540033271 CPAXOWUEECIXKY-HNNXBMFYSA-N 451.549 1.612 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ncnn1CC(F)F 1540876196 KDFVYLHLKJDLJL-RDTXWAMCSA-N 466.537 1.992 30 10 JDEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1540909843 QNKMCXWIMNVRTN-KRWDZBQOSA-N 450.609 1.218 30 10 JDEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)C1 1554428285 GDMKNQQKQPAGEX-RTWAWAEBSA-N 481.601 1.538 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc2c(c1)OCO2 1587639424 LQVDNJFVPNENHJ-JXFKEZNVSA-N 489.598 1.775 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1588055424 VWHRPZASAJVVLR-VQTJNVASSA-N 463.604 1.405 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1588637656 IPJDGSTVWWTTPA-GOSISDBHSA-N 458.563 1.860 30 10 JDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1589097101 NQCBOUBBADWDBJ-UHFFFAOYSA-N 468.583 1.787 30 10 JDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1593746389 CXIUCQNQAVBPIE-RBUKOAKNSA-N 464.592 1.183 30 10 JDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCN(CCN(C)C)CC2)CC1 1594014130 OKINRHPZNPWBIX-GOSISDBHSA-N 453.657 1.318 30 10 JDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)C(C)C 1595171648 XOTUKSBFKWKXMO-RBUKOAKNSA-N 498.632 1.448 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN(C(C)C)C1 1595217854 DBWHELLAWAJCFJ-UXHICEINSA-N 466.652 1.910 30 10 JDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1595501091 LYCPIYYMWRUGAI-UHFFFAOYSA-N 469.590 1.673 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1595577340 PVVYYZOWQYGYSY-OAHLLOKOSA-N 491.390 1.884 30 10 JDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(COC)CC1 1595884944 XGJRXSIMNBCVPF-QGZVFWFLSA-N 457.622 1.313 30 10 JDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1CC(C)(C)C1 1611706623 BQJAFCQXSJRSNS-CVEARBPZSA-N 487.634 1.701 30 10 JDEE CO[C@@]1(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@](F)(C#N)C2)CCOC1 1619049611 BTAKKSJLJCOVEK-LEWJYISDSA-N 478.550 1.443 30 10 JDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cn2)CC1 1651699339 DIVYWQXOQWLCQW-GOSISDBHSA-N 451.618 1.651 30 10 JDEE C#CCNS(=O)(=O)N1CCN(Cc2ccccc2OCc2ccc(C(=O)OC)cc2)CC1 1658787542 CAMBAKCOIZNKTD-UHFFFAOYSA-N 457.552 1.637 30 10 JDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2OC)n1 1663144861 RSIQBMNOCVBPPU-UHFFFAOYSA-N 454.936 1.974 30 10 JDEE C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)nn1 1686847985 SDUXPTVWSXGAIC-UHFFFAOYSA-N 459.359 1.987 30 10 JDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1689878720 SHOQETQQVOLEKA-IBGZPJMESA-N 472.615 1.961 30 10 JDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1689981976 FIOBKOZCBTVAOJ-CQSZACIVSA-N 483.392 1.189 30 10 JDEE C#CCN(c1nnc(COCC)n1Cc1cc2c(cc1OC)C[C@@H](C)O2)[C@@H]1CCS(=O)(=O)C1 1689995837 AZLDHXBKOTUQLO-VQIMIIECSA-N 474.583 1.822 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1690239648 ZDKAQGCZXRQFHH-CBPXPLCBSA-N 490.649 1.726 30 10 JDEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1690321928 OYCFXLIVOPPHKB-HXUWFJFHSA-N 484.601 1.889 30 10 JDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCNc2ccccn2)CC1 1690375638 PPBDFNCXPCHCNN-GOSISDBHSA-N 461.592 1.665 30 10 JDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ncccc2N(C)C)CC1 1690411224 IEKQJBKAGCQULO-HXUWFJFHSA-N 475.619 1.523 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCC2CC2)C1 1690484865 GCEKKRIINRYZEM-MOPGFXCFSA-N 453.609 1.973 30 10 JDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2CCOC[C@H]2C1 1690660723 NPVWFNNVCXFOPQ-VQTJNVASSA-N 454.575 1.858 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1690668054 QTYKQQKILZYACZ-UHFFFAOYSA-N 450.547 1.454 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCOC[C@@H]2C)C1 1690700055 NBDWGGVHYSSMOW-OKYOBFRVSA-N 469.608 1.065 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1690724338 MSFRLAHGBBEWDL-SJLPKXTDSA-N 450.565 1.084 30 10 JDEE Cn1cc(C(=O)NCC2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(C)(=O)=O)CC2)cn1 1696849417 BRJFAQSAFRTYEF-UHFFFAOYSA-N 496.597 1.241 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCCS2(=O)=O)c1 1705505098 IKFXTOSVPOYMKW-HXUWFJFHSA-N 481.582 1.702 30 10 JDEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCOC)[C@H]1CCS(=O)(=O)C1 1705561184 OCWIZJBGHWABSZ-INIZCTEOSA-N 464.544 1.244 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C(F)(F)F 1705582956 NLTASSDLWIVKRS-GOSISDBHSA-N 481.500 1.751 30 10 JDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)C(C)(C)C 1705583234 SSKKLEVEKFKZCU-SFHVURJKSA-N 493.630 1.873 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OCC)c1ccccc1 1705583344 WCYWXAXIOLDWOI-LEWJYISDSA-N 471.583 1.462 30 10 JDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1705637760 KOQUTAZAAZQASF-UHFFFAOYSA-N 450.522 1.311 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCN(CCC)C2)CC1 1705643764 ROATYBXSCGCQKO-LJQANCHMSA-N 455.607 1.212 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CCN2CCOCC2(C)C)CC1 1705649799 FQZNRAHEYVCJGM-UHFFFAOYSA-N 494.640 1.976 30 10 JDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705664368 ZUHUIDULLFNZLR-UHFFFAOYSA-N 472.640 1.568 30 10 JDEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1CC1(O)CCS(=O)(=O)CC1 1705877797 DOUDFTGXTJRRKX-UHFFFAOYSA-N 487.626 1.575 30 10 JDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1705884077 FMWBJDSKBQYVEN-CVEARBPZSA-N 457.597 1.732 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](N2CCCCC2)C1 1705896166 DCLKOGNGVXOFJB-IBGZPJMESA-N 472.615 1.715 30 10 JDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC(=O)N(C)C)CC1 1705900456 DVXQCPYLGBURGU-UHFFFAOYSA-N 492.584 1.189 30 10 JDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1705900860 RWROLWZFYPBBMB-UHFFFAOYSA-N 451.491 1.216 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1705932139 MWFZHMPEVSHZNO-NRFANRHFSA-N 459.576 1.370 30 10 JDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C[C@@H]1C 1712492602 DVOQBAUTWZLSIS-SFHVURJKSA-N 488.614 1.463 30 10 JDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)C1 1712691800 CTBFHOCMMFJXLU-VQTJNVASSA-N 458.588 1.287 30 10 JDEE C#CCCCn1c(COCC)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1722339660 XHADIWSNMOLGJU-ZACQAIPSSA-N 467.592 1.355 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1722370223 AQGRJKYQQUUPAL-QGZVFWFLSA-N 451.593 1.090 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN1CCCO 1722392965 PBLFRENCWMYXEA-JOCHJYFZSA-N 459.558 1.231 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(NC(C)=O)cc2)CC1 1722437968 RJZGXCDWIHANRK-HXUWFJFHSA-N 470.599 1.137 30 10 JDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CC2(CS(C)(=O)=O)CC2)CC1 1722442369 SDINBZFEVZBYQO-UHFFFAOYSA-N 471.627 2.000 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC(=O)NCc2ccco2)CC1 1722446021 JPDDIEOMRSLQNC-UHFFFAOYSA-N 461.526 1.524 30 10 JDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1722629970 QVXWIKBYTQEMHF-LJQANCHMSA-N 491.589 1.761 30 10 JDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC(F)F)OCO2 1722631252 IGKGONOUMYTPNE-NSHDSACASA-N 459.475 1.889 30 10 JDEE C=CCNC(=O)Cn1c(N2CC[C@@H](Oc3ccccn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722703580 BYAOYAXTJJRWCA-WZONZLPQSA-N 456.547 1.674 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N(C)CCN1CCOCC1 1722726067 YLLBBDKCFMZWII-UHFFFAOYSA-N 453.996 1.968 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCS(=O)(=O)C1 1740563342 SNIIJZHPTKYDGD-VQHPVUNQSA-N 451.593 1.941 30 10 JDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CN(C)C(C)C)CC1 1740575672 UWQKZAHPHBHBSE-NRFANRHFSA-N 480.679 1.971 30 10 JDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1740619281 HFJPQBWOWGDOFK-ROUUACIJSA-N 460.556 1.768 30 10 JDEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1740619450 ITZAPHMVQNSCMC-QGZVFWFLSA-N 452.540 1.256 30 10 JDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740628486 YFLFQZURGJARJC-IAGOWNOFSA-N 451.593 1.309 30 10 JDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2[nH]ccc2c1 1740640363 LNAJAGUFEGVPGG-OAQYLSRUSA-N 466.567 1.408 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740679013 MIHVSJMTQOOBTB-QHCPKHFHSA-N 469.542 1.592 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C/C=C\c2ccccc2)CC1 1740705293 DWMUGVAILSWMHM-AVKJRPAMSA-N 467.595 1.859 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCS(=O)CC1 1740953431 GEQDCWOCNPQUSM-UHFFFAOYSA-N 468.377 1.587 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1740987065 OLMALOBRHCWSGL-HZPDHXFCSA-N 451.597 1.967 30 10 JDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(C)c2)CC1 1740990832 GNBSEFMXFDZZMA-LJQANCHMSA-N 458.588 1.465 30 10 JDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1748834398 MKAQTJRZBNYSOO-LJQANCHMSA-N 453.351 1.874 30 10 JDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOC(C)(C)C1 1748842145 DQCUBSPZWUIQTK-UHFFFAOYSA-N 459.554 1.376 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCN(c2ccccc2)CC1 1748891763 FQDRZHCEOHKRKB-HSZRJFAPSA-N 494.665 1.855 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1749130429 LQOMZVVZPQWSOZ-LMMKCTJWSA-N 453.609 1.671 30 10 JDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)c1ccccc1 1749242364 HBGOECPOYPVQRI-SJLPKXTDSA-N 459.576 1.158 30 10 JDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1749402448 OCRSNBXBFFHTBY-RTBURBONSA-N 479.607 1.069 30 10 JDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1749595870 LWCGWPWCNMMXGS-IEBWSBKVSA-N 463.608 1.522 30 10 JDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1749655048 BPLHSSRCJYPJMC-INIZCTEOSA-N 475.351 1.649 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1749670234 OYJLDVDSGJQNED-GOSISDBHSA-N 457.535 1.517 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1749727247 RAOIGIBMSNGSCO-FQEVSTJZSA-N 489.598 1.382 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 1749730517 HIFLRJPMOSRCBS-HSZRJFAPSA-N 481.582 1.923 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1749731876 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1300487839 MLUXKLSMKYMZQX-PZJWPPBQSA-N 474.631 1.267 30 10 JDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1300498933 OCOLFJBQTITKPA-MRXNPFEDSA-N 452.527 1.936 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cccc(Cl)c1 1300630900 JASQKWFFRRQXJL-WIYYLYMNSA-N 482.006 1.632 30 10 JDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCSC1 1300642342 IQVROXUKDGYDQZ-QRWLVFNGSA-N 467.592 1.535 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[S@](=O)CC)CC1 1300726458 LZKNNDRPLYTVEJ-JGCGQSQUSA-N 463.554 1.882 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCSCCCO)CC1 1300727461 YGKIFZQTSPOSLN-OAQYLSRUSA-N 485.610 1.872 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1300734512 WDTSYWIMLYAYBS-INIZCTEOSA-N 462.601 1.695 30 10 JDEE C=C(Br)Cn1c(N2CCN(CC(=O)NCC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300863949 WQKKEAURZNJHJI-HXUWFJFHSA-N 485.427 1.485 30 10 JDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1scnc1C 1301401607 CNJRVRYZADPOMO-INIZCTEOSA-N 452.606 1.797 30 10 JDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1301498455 OHAVKVXCALJCMP-SFHVURJKSA-N 452.515 1.554 30 10 JDEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCCS2(=O)=O)C1 1303933764 AWDXFCNNXHBCPV-NRFANRHFSA-N 492.627 1.514 30 10 JDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1305117234 IEOBTXSQKYJVGR-FUHWJXTLSA-N 472.571 1.220 30 10 JDEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1316347745 IFHYKWDUAUVCAM-LJQANCHMSA-N 455.544 1.353 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1358902403 NEZKUPCDYPTEJH-QGZVFWFLSA-N 456.572 1.493 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@H]2NC(=O)CC2(C)C)c1 1358902597 SXNUEOMVDWIOAY-PKOBYXMFSA-N 450.543 1.753 30 10 JDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(OCC(N)=O)CC1 1358930277 RHIGSBUVGQMVLP-SFHVURJKSA-N 476.578 1.471 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1358959622 MKQMSKADWBDMBH-GOSISDBHSA-N 454.556 1.786 30 10 JDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C)CCCC1)[C@H]1CCS(=O)(=O)C1 1358964437 ZBJUFQGNIJFUIC-SJORKVTESA-N 454.618 1.387 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(C(C)(C)O)c1)[C@H]1CCS(=O)(=O)C1 1358966794 XAGVVGKJOSCNDI-FQEVSTJZSA-N 485.610 1.303 30 10 JDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ncccc1N(C)C 1358988880 GXECTAKLKCIWSV-UHFFFAOYSA-N 452.526 1.893 30 10 JDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C2CC2)cs1 1358994671 TUBBOWOSGZCDDP-SFHVURJKSA-N 474.612 1.456 30 10 JDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1Cc1ccccc1 1359024140 GCHZZMIDGCPNIL-VXKWHMMOSA-N 471.627 1.931 30 10 JDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCNC(=O)C(C)C)CC1 1359031151 RKHZHLGGTGIBAQ-UHFFFAOYSA-N 476.423 1.964 30 10 JDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCS(=O)(=O)c2ccccc2)CC1 1359033591 IAGFINCWFAXTJN-UHFFFAOYSA-N 450.568 1.959 30 10 JDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1359034999 ILRGEOJWOVZNFS-ROUUACIJSA-N 459.595 1.487 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ncc(Cl)n1C 1359090497 BWAVYIMBLHQBCO-VBQJREDUSA-N 472.015 1.893 30 10 JDEE C=CCCCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1359204644 WPVPCYNQAWQKMB-UHFFFAOYSA-N 453.526 1.700 30 10 JDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359215485 CIKJVPCTVINTRQ-SFHVURJKSA-N 473.559 1.112 30 10 JDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C2OCCO2)c1 1359240886 ZHGKZVZWCZYKET-GOSISDBHSA-N 463.560 1.327 30 10 JDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCCS2(=O)=O)C1 1359312019 MERQFGJPFHQWHP-SJORKVTESA-N 460.560 1.674 30 10 JDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC)[C@H](C)C1 1359332716 FHPDBQZURXWIOC-LJQANCHMSA-N 488.662 1.583 30 10 JDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cn2)CC1 1359337079 JHGAJNXSUMVNIJ-HNNXBMFYSA-N 469.612 1.668 30 10 JDEE C#CCN(C(=O)COc1ccc(S(N)(=O)=O)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1471881983 SVPNLLURRDBAMS-UHFFFAOYSA-N 451.545 1.574 30 10 JDEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC2)C1 1505142068 AEFFHVGXZNWUSL-RBUKOAKNSA-N 474.587 1.531 30 10 JDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507633221 RPLDSKGOFJKCGY-OALUTQOASA-N 498.671 1.546 30 10 JDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1507640753 VHMSVEKTZFHWTM-INIZCTEOSA-N 462.601 1.094 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC(=O)NCC(F)F)CC1 1507736130 FCLNCZAWBRGSQD-UHFFFAOYSA-N 460.485 1.301 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1507737885 CMLQSBRLVGJYFG-OAQYLSRUSA-N 497.596 1.566 30 10 JDEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@H]1C 1507964860 MQQFJSVKZLWLKM-QZTJIDSGSA-N 478.594 1.846 30 10 JDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCCS1(=O)=O 1508008271 LFJXLCLPGVCIGT-GOSISDBHSA-N 462.551 1.596 30 10 JDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1508092383 BGSRNFNBCGRMLZ-UHFFFAOYSA-N 483.573 1.506 30 10 JDEE Cn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1517400957 CDTPOMTUZFPRCL-UHFFFAOYSA-N 463.546 1.600 30 10 JDEE C#CCN(c1nnc(C(C)C)n1CCCNC(=O)c1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1539201594 APPLIWRVXMDUQW-SFHVURJKSA-N 459.572 1.554 30 10 JDEE C#CCN(c1nnc(C)n1C[C@H](C)N1CCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 1539205699 JIAPVSQGXPZGTP-SIKLNZKXSA-N 456.616 1.424 30 10 JDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539211916 QAGQHFQSUDOKGT-WOJBJXKFSA-N 487.626 1.549 30 10 JDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539224533 HXQKAOBDDLRDMQ-YADHBBJMSA-N 486.642 1.247 30 10 JDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1539238165 RFLKUQUPWLGAPB-MZLICYQSSA-N 469.565 1.349 30 10 JDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(CC(F)(F)F)CC1 1539343182 GRQRKQSVHVFBPW-CQSZACIVSA-N 450.531 1.622 30 10 JDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1OC 1539369470 LOBONYZKNJDZPA-LJQANCHMSA-N 463.560 1.136 30 10 JDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1539491027 KSPPULOLYHUQBX-IBGZPJMESA-N 469.615 1.840 30 10 JDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCN(C(C)=O)CC1 1539542258 WOVJAGYAYHRVDL-RPWUZVMVSA-N 458.607 1.475 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1539615888 MNBFWELROROHLV-VHPHOLNESA-N 453.609 1.732 30 10 JDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS(=O)(=O)CC1 1539622484 WVDKLJFHEZUKIY-MJGOQNOKSA-N 480.612 1.565 30 10 JDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1539757827 AGDVVMWAINJMER-UHFFFAOYSA-N 471.562 1.688 30 10 JDEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1539785944 GQPNDVXTHDZPED-KBPBESRZSA-N 450.956 1.931 30 10 JDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1539952703 ILURGSQZEXXGIO-QZTJIDSGSA-N 454.641 1.934 30 10 JDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1540857011 PSLDGHVOCGQRQM-OAHLLOKOSA-N 452.606 1.828 30 10 JDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1540877188 NCZOZQQEGSDSKJ-HXUWFJFHSA-N 481.601 1.809 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1540898656 QHYGXPKJJHTSOU-HDICACEKSA-N 450.517 1.125 30 10 JDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1540907654 DFMQYAWFGBCSFH-UHFFFAOYSA-N 463.608 1.008 30 10 JDEE Cc1ccoc1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1542100328 AIYCXHVXOGOVIE-KRWDZBQOSA-N 456.528 1.874 30 10 JDEE CC[C@@H]1[C@@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1546605451 BWKUIPSPDDXXOV-NBCNXNJRSA-N 459.572 1.903 30 10 JDEE CCN(CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1547429692 ATDVVLOFBGPCHC-WIYYLYMNSA-N 489.646 1.849 30 10 JDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(SC)CCOCC2)CCO1 1554451312 DSJLMTRUCGWXQJ-LJQANCHMSA-N 486.598 1.592 30 10 JDEE COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCS1 1555557919 GYHPAHVBWZLORP-DLBZAZTESA-N 472.637 1.263 30 10 JDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)Cc1ccccc1 1587639602 MFLMLKZDKGQZGO-SJLPKXTDSA-N 450.586 1.253 30 10 JDEE C#CCN(c1nnc([C@@H](C)CC)n1CC1CCN(CCN(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1588029043 CRGHEYRZAMOUTJ-PZJWPPBQSA-N 464.680 1.692 30 10 JDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1CCS(=O)(=O)CC1)[C@@H]1CCS(=O)(=O)C1 1588039714 CNRQGKQZCAUYPU-QGZVFWFLSA-N 466.585 1.298 30 10 JDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1588732545 CJEAMQLEUDZYPN-UHFFFAOYSA-N 484.914 1.723 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2(N(C)C)CCSC2)CC1 1588930382 UYDNCNVWECKKBH-XXBNENTESA-N 460.648 1.575 30 10 JDEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1589008550 WIRCVNLTTIQVTH-IBGZPJMESA-N 466.611 1.756 30 10 JDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1589481821 CPJDESSTKZSPGR-IFMALSPDSA-N 489.665 1.778 30 10 JDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccsc1 1595218377 IUCQOJNFSCNPEU-YLJYHZDGSA-N 467.617 1.759 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(F)(F)CC1 1595497038 OFTKZRGLNZMVPH-UHFFFAOYSA-N 468.530 1.733 30 10 JDEE CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)CC1 1620171601 FRCIHAXGUTYLLA-UHFFFAOYSA-N 473.559 1.177 30 10 JDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(C)nn(Cc3ccc(F)cc3)c2Cl)CC1 1632960539 JHGALZJPRVFDDO-UHFFFAOYSA-N 453.927 1.258 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H](C)N2CCOCC2)c1 1689870646 VKDARNATBRXSKK-GOSISDBHSA-N 460.542 1.512 30 10 JDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1689873373 GGPSHRWRMFEIMR-ZWKOTPCHSA-N 465.514 1.174 30 10 JDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1689996642 LHZCRAGXGIPZJR-QGZVFWFLSA-N 450.634 1.908 30 10 JDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2C[C@H]2CCS(=O)(=O)C2)n1 1690109087 GHYWQWMBLZKVNF-UYAOXDASSA-N 476.603 1.437 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc3c(c2)OCCO3)CC1 1690135611 ZTMNSROMVFIWOH-UHFFFAOYSA-N 480.569 1.396 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2cccc(OC)c2)CC1 1690150403 GLIRKVITZQSINC-UHFFFAOYSA-N 464.570 1.618 30 10 JDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1690668730 HDZCYSRXJSUGHF-UHFFFAOYSA-N 477.573 1.774 30 10 JDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)[C@@H]2CC)cc1 1690680227 MPKBHXFXQNYMKP-MJGOQNOKSA-N 459.572 1.508 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1690722620 PRLADEXFCWDJAV-UHFFFAOYSA-N 473.603 1.565 30 10 JDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCC(C)CC2)CC1 1690722648 QKNBRCNPCYFFNB-UHFFFAOYSA-N 461.636 1.980 30 10 JDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 1693830105 CUWIIZIVKXAMHC-DENIHFKCSA-N 481.601 1.897 30 10 JDEE 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C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSCCS1)C1CC1 1722651016 OXUKDAAENCUXFF-CVEARBPZSA-N 459.663 1.614 30 10 JDEE COC1CCN(C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)CC1 1730374032 AJIMLIPWOIHFAJ-UHFFFAOYSA-N 489.646 1.692 30 10 JDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N(CCC#N)CC3CC3)n2Cc2cccc(F)c2)C1 1731012090 BQDOZZKGKRFXJD-LJQANCHMSA-N 462.551 1.928 30 10 JDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCCOC)cc1 1740549294 DZCPJPZDBACOQW-FXAWDEMLSA-N 477.587 1.142 30 10 JDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1740624196 DLYCXGIQQAJURP-URXFXBBRSA-N 483.569 1.937 30 10 JDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCN(C(C)=O)CC1 1740630364 HRPSEPKXHMZQTE-UHFFFAOYSA-N 450.543 1.199 30 10 JDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCc3ccccc32)CC1 1740689855 DTLHNBMENUJDAY-ICSRJNTNSA-N 456.616 1.764 30 10 JDEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@](C)(O)CCOC)CC1 1740694642 PEYPJKOLXCIFBI-NBGIEHNGSA-N 490.649 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479.585 1.984 30 10 JDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1748755493 NCUMNFZJJUMXHK-UHFFFAOYSA-N 450.572 1.868 30 10 JDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1748801527 BULUJGHJYIBOGB-SFHVURJKSA-N 487.582 1.206 30 10 JDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1748801800 GWKDBGOCWFOYHB-WMZOPIPTSA-N 451.593 1.250 30 10 JDEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1748803867 AMYJLUJHFZSWNL-WBVHZDCISA-N 463.535 1.272 30 10 JDEE C#CCN(c1nnc(-c2cccn2C)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748811815 LVJAMPCIVCAKLK-QGZVFWFLSA-N 463.629 1.823 30 10 JDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1748824934 UDSJNUUSAKDRPX-NSHGMRRFSA-N 476.603 1.027 30 10 JDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)CN1CCOCC1 1748964622 KXHHWIJZGDIWCW-KNQAVFIVSA-N 455.559 1.845 30 10 JDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(NC(=O)OC)c2)CC1 1749009682 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